smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)OCCS(=O)(=O)[N-]CC(=O)OCC(=O)NC1CCCCC1 ZINC000748148742 836287532 /nfs/dbraw/zinc/28/75/32/836287532.db2.gz JGWRRUFMHRUMBZ-UHFFFAOYSA-N -1 3 364.464 0.323 10 0 FCAEHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@H]2CCC(=O)N(C)C2)c1F ZINC000749183063 836346372 /nfs/dbraw/zinc/34/63/72/836346372.db2.gz UJOCWJHQWSVZFB-QMMMGPOBSA-N -1 3 362.354 0.651 10 0 FCAEHM NS(=O)(=O)c1cc(C(=O)[N-]c2ncn(Cc3cccnc3)n2)cs1 ZINC001115924560 846580189 /nfs/dbraw/zinc/58/01/89/846580189.db2.gz UEZUKBPVOSWPMP-UHFFFAOYSA-N -1 3 364.412 0.683 10 0 FCAEHM O=S(=O)([N-]Cc1nnc2n1CCOC2)c1cccnc1C(F)(F)F ZINC001117282777 846938371 /nfs/dbraw/zinc/93/83/71/846938371.db2.gz AOQTUPVQJLTEDE-UHFFFAOYSA-N -1 3 363.321 0.701 10 0 FCAEHM CCc1nnc([C@H](C)OC(=O)c2ccc(S(=O)(=O)[N-]CCO)s2)[nH]1 ZINC001118452965 847430277 /nfs/dbraw/zinc/43/02/77/847430277.db2.gz HZNVKFWAGWREKU-QMMMGPOBSA-N -1 3 374.444 0.617 10 0 FCAEHM CCO[C@H](CS(=O)(=O)[N-]N=c1[nH]c2c(cnn2C)c(=O)[nH]1)C1CC1 ZINC001118895226 847625713 /nfs/dbraw/zinc/62/57/13/847625713.db2.gz LQTZNJAVWXPLFX-SNVBAGLBSA-N -1 3 356.408 0.130 10 0 FCAEHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CC[C@@H](O)[C@@H](O)C1 ZINC001119048983 847694539 /nfs/dbraw/zinc/69/45/39/847694539.db2.gz FEEXLLXSXDKCHA-OCCSQVGLSA-N -1 3 367.199 0.858 10 0 FCAEHM C[C@H]1CN(c2nnc(-c3nnc(Cl)[n-]3)n2C[C@@H]2CCOC2)CCO1 ZINC001123235349 848580297 /nfs/dbraw/zinc/58/02/97/848580297.db2.gz GJXPZEWVYDBEFG-UWVGGRQHSA-N -1 3 353.814 0.978 10 0 FCAEHM C[C@H]1CN(c2nnc(-c3n[n-]c(Cl)n3)n2C[C@@H]2CCOC2)CCO1 ZINC001123235349 848580300 /nfs/dbraw/zinc/58/03/00/848580300.db2.gz GJXPZEWVYDBEFG-UWVGGRQHSA-N -1 3 353.814 0.978 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCN(CC[S@](C)=O)CC2)c1 ZINC001123595593 848610439 /nfs/dbraw/zinc/61/04/39/848610439.db2.gz ANOCSXTUDIXBCZ-VWLOTQADSA-N -1 3 365.455 0.653 10 0 FCAEHM CO[C@]1(CNC(=O)CCc2c(C)nc(C)[n-]c2=O)CCS(=O)(=O)C1 ZINC001133983753 849169114 /nfs/dbraw/zinc/16/91/14/849169114.db2.gz HRJYKMSRDFXLNR-HNNXBMFYSA-N -1 3 357.432 0.052 10 0 FCAEHM CCOC(=O)c1ccc(NC(=O)[C@]2(OC)CCS(=O)(=O)C2)c([O-])c1 ZINC001137939669 849292468 /nfs/dbraw/zinc/29/24/68/849292468.db2.gz MPPCNJWSOGEKED-HNNXBMFYSA-N -1 3 357.384 0.711 10 0 FCAEHM COC(=O)CC1(NC(=O)Cc2ccc([O-])c(F)c2)CCS(=O)(=O)CC1 ZINC001138409348 849309891 /nfs/dbraw/zinc/30/98/91/849309891.db2.gz RLOGQGNAVBGUBN-UHFFFAOYSA-N -1 3 373.402 0.701 10 0 FCAEHM Nc1cccnc1C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001138741459 849317913 /nfs/dbraw/zinc/31/79/13/849317913.db2.gz LHRMMYWDYBWWIX-UHFFFAOYSA-N -1 3 356.354 0.650 10 0 FCAEHM C[C@@H](Sc1nc(CC(=O)NCCCc2cc(=O)[nH][n-]2)cs1)C(N)=O ZINC001141691073 849405903 /nfs/dbraw/zinc/40/59/03/849405903.db2.gz FPOIACGJIITKFJ-MRVPVSSYSA-N -1 3 369.472 0.424 10 0 FCAEHM CN1C(=O)C[C@H](C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)[C@H]1c1cccnc1 ZINC001144527310 849525285 /nfs/dbraw/zinc/52/52/85/849525285.db2.gz DWWLPIVFWXBLNB-SMDDNHRTSA-N -1 3 359.411 0.702 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)c1ccccc1S(=O)(=O)C(F)F ZINC001149262627 849634470 /nfs/dbraw/zinc/63/44/70/849634470.db2.gz NDJCDDFDSDOFFI-VIFPVBQESA-N -1 3 359.354 0.925 10 0 FCAEHM CNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)cc1 ZINC001164322621 850407487 /nfs/dbraw/zinc/40/74/87/850407487.db2.gz QKWMRZYDAYBFFZ-LLVKDONJSA-N -1 3 350.400 0.653 10 0 FCAEHM CS(=O)(=O)Nc1ccc(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)cc1 ZINC001164339366 850409291 /nfs/dbraw/zinc/40/92/91/850409291.db2.gz RRNOKILKCDCJOS-UHFFFAOYSA-N -1 3 354.413 0.772 10 0 FCAEHM CC(C)[C@H](NS(C)(=O)=O)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC001169073951 850604677 /nfs/dbraw/zinc/60/46/77/850604677.db2.gz FGZNFCOCNSADLY-ZDUSSCGKSA-N -1 3 356.448 0.640 10 0 FCAEHM CCOc1nnc(NC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)[n-]1 ZINC001174745471 850746238 /nfs/dbraw/zinc/74/62/38/850746238.db2.gz QSKHRLSTATYVAJ-YWVKMMECSA-N -1 3 354.436 0.868 10 0 FCAEHM CCOc1nc(NC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)n[n-]1 ZINC001174745471 850746248 /nfs/dbraw/zinc/74/62/48/850746248.db2.gz QSKHRLSTATYVAJ-YWVKMMECSA-N -1 3 354.436 0.868 10 0 FCAEHM CCOc1n[n-]c(NC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)n1 ZINC001174745471 850746260 /nfs/dbraw/zinc/74/62/60/850746260.db2.gz QSKHRLSTATYVAJ-YWVKMMECSA-N -1 3 354.436 0.868 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](O)CC3(CCOCC3)C2)c(C)o1 ZINC001175501542 850765983 /nfs/dbraw/zinc/76/59/83/850765983.db2.gz SLTGIDTYMROZKY-GFCCVEGCSA-N -1 3 372.443 0.500 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)N[C@H]2C[C@H](S(C)(=O)=O)C2)c([O-])c1 ZINC001175763806 850773554 /nfs/dbraw/zinc/77/35/54/850773554.db2.gz KFNWNLBONYPXLP-HAQNSBGRSA-N -1 3 354.428 0.512 10 0 FCAEHM COc1nsc(OC)c1C(=O)N1CCN(c2nc(C)cc(=O)[n-]2)CC1 ZINC001178043804 850883321 /nfs/dbraw/zinc/88/33/21/850883321.db2.gz XILBCAKTPKGRJQ-UHFFFAOYSA-N -1 3 365.415 0.927 10 0 FCAEHM COC(=O)CCCO[N-]C(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC001179177158 850960656 /nfs/dbraw/zinc/96/06/56/850960656.db2.gz RBKGNFONYXTBDF-UHFFFAOYSA-N -1 3 358.416 0.480 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)c1 ZINC001179431867 850975051 /nfs/dbraw/zinc/97/50/51/850975051.db2.gz NQPPLDZKFNTILU-MNOVXSKESA-N -1 3 367.427 0.513 10 0 FCAEHM COc1ccc(C(=O)[N-]C(=O)CN2CCC([C@@H](F)C(N)=O)CC2)cc1 ZINC001196960503 853039336 /nfs/dbraw/zinc/03/93/36/853039336.db2.gz DVVHEKVISCTKLA-OAHLLOKOSA-N -1 3 351.378 0.487 10 0 FCAEHM C[C@H](Cn1cncn1)NC(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001252792636 857841085 /nfs/dbraw/zinc/84/10/85/857841085.db2.gz BPCYVCHLZDYKNN-SNVBAGLBSA-N -1 3 370.410 0.677 10 0 FCAEHM COc1cc(C(=O)N(C)CC2CN(C)C2)cc([N-]S(C)(=O)=O)c1OC ZINC001261752496 858657281 /nfs/dbraw/zinc/65/72/81/858657281.db2.gz GJMOHFMHZLRNNH-UHFFFAOYSA-N -1 3 371.459 0.709 10 0 FCAEHM O=C([N-]C[C@@H]1CCCN(C(=O)NCC[C@@H]2CNC(=O)C2)C1)C(F)(F)F ZINC001262206417 858817965 /nfs/dbraw/zinc/81/79/65/858817965.db2.gz BAATXJYCCFRDOW-QWRGUYRKSA-N -1 3 364.368 0.613 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NC[C@@H]1COCCN1CCC[N-]C(=O)C(F)(F)F ZINC001272886009 860290291 /nfs/dbraw/zinc/29/02/91/860290291.db2.gz RXDGWYPJHAFBEW-JHJVBQTASA-N -1 3 365.396 0.918 10 0 FCAEHM CC[C@H](CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1)C(C)C ZINC001281681466 863621161 /nfs/dbraw/zinc/62/11/61/863621161.db2.gz RGMMKPYBULAVLP-MRVWCRGKSA-N -1 3 350.419 0.556 10 0 FCAEHM CCO[C@@H]1CN(C(C)=O)C[C@H]1CNC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC001282173075 864098258 /nfs/dbraw/zinc/09/82/58/864098258.db2.gz MNTVFURDHYREBP-UKRRQHHQSA-N -1 3 350.419 0.341 10 0 FCAEHM C[C@@H](C(=O)N[C@H]1CCN(C(=O)c2ccccc2[O-])[C@@H]1C)S(C)(=O)=O ZINC001282362563 864222356 /nfs/dbraw/zinc/22/23/56/864222356.db2.gz KCWMHTOPYFVAAO-MDZLAQPJSA-N -1 3 354.428 0.545 10 0 FCAEHM Cn1cc(C(=O)Nc2ncc(S(=O)(=O)[N-]C(C)(C)C)s2)[nH]c1=O ZINC001287882696 864756832 /nfs/dbraw/zinc/75/68/32/864756832.db2.gz PCXJZBKCXUZCQG-UHFFFAOYSA-N -1 3 359.433 0.911 10 0 FCAEHM CC[C@@H](CC(F)F)C(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1 ZINC001289657927 865201439 /nfs/dbraw/zinc/20/14/39/865201439.db2.gz BDFGBGRGLKJCKK-GDPRMGEGSA-N -1 3 358.345 0.165 10 0 FCAEHM CC[C@H](OC)C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@H]2CC)n1 ZINC001290364333 865399396 /nfs/dbraw/zinc/39/93/96/865399396.db2.gz LZJYAPBBTKBHRV-RTXFEEFZSA-N -1 3 350.419 0.886 10 0 FCAEHM C[C@H](CNC(=O)c1nc[n-]c(=O)c1Br)N1CCN(C)CC1 ZINC001292965600 865764460 /nfs/dbraw/zinc/76/44/60/865764460.db2.gz DKCCYGUKBBJZBK-SECBINFHSA-N -1 3 358.240 0.310 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1nc(S(C)(=O)=O)ccc1Cl ZINC001292969266 865766094 /nfs/dbraw/zinc/76/60/94/865766094.db2.gz FREVRXSPSUAJTQ-QMMMGPOBSA-N -1 3 358.807 0.380 10 0 FCAEHM C[C@H](CC(=O)N(C)Cc1ncon1)[N-]S(=O)(=O)c1cccnc1Cl ZINC001295818567 865923181 /nfs/dbraw/zinc/92/31/81/865923181.db2.gz WORJRNRKLCVHIJ-SECBINFHSA-N -1 3 373.822 0.834 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NC2(CS(C)(=O)=O)COC2)c1 ZINC001300020698 866205025 /nfs/dbraw/zinc/20/50/25/866205025.db2.gz RVQHBVQFZYTSJB-UHFFFAOYSA-N -1 3 354.384 0.060 10 0 FCAEHM CC(=O)N1CCC[C@@H]1C(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001349113912 866238350 /nfs/dbraw/zinc/23/83/50/866238350.db2.gz XITGDADVOCGGNI-CQSZACIVSA-N -1 3 357.407 0.824 10 0 FCAEHM COCCS(=O)(=O)c1ccc(C(=O)[N-]N2C(=O)[C@@H](C)N(C)C2=O)cc1 ZINC001301134576 866249230 /nfs/dbraw/zinc/24/92/30/866249230.db2.gz MLZLKLFBDQKLAT-SNVBAGLBSA-N -1 3 369.399 0.034 10 0 FCAEHM Cc1ccc(C(=O)NCCCc2c[n-][nH]c2=O)cc1NS(C)(=O)=O ZINC001301562231 866271708 /nfs/dbraw/zinc/27/17/08/866271708.db2.gz UMQHTQGGPLBTAN-LBPRGKRZSA-N -1 3 352.416 0.608 10 0 FCAEHM COC(=O)[C@@H](CC1OCCO1)NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC001302832556 866358990 /nfs/dbraw/zinc/35/89/90/866358990.db2.gz MWWPFJVBJXWAKN-SNVBAGLBSA-N -1 3 355.343 0.444 10 0 FCAEHM Clc1nnc(-c2nnc(N3CCN4CCOC[C@H]4C3)n2CC2CC2)[n-]1 ZINC001351333591 866835585 /nfs/dbraw/zinc/83/55/85/866835585.db2.gz DQQLLBGMBQFIGY-LLVKDONJSA-N -1 3 364.841 0.647 10 0 FCAEHM Clc1nc(-c2nnc(N3CCN4CCOC[C@H]4C3)n2CC2CC2)n[n-]1 ZINC001351333591 866835592 /nfs/dbraw/zinc/83/55/92/866835592.db2.gz DQQLLBGMBQFIGY-LLVKDONJSA-N -1 3 364.841 0.647 10 0 FCAEHM C[C@]12CSC[C@H]1CN(C(=O)C(=O)NCc1nc(C(F)(F)F)n[n-]1)C2 ZINC001351459828 866870146 /nfs/dbraw/zinc/87/01/46/866870146.db2.gz PRRVHKAHAWUTMC-KRTXAFLBSA-N -1 3 363.365 0.651 10 0 FCAEHM CC(C)CNC(=O)C[N-]S(=O)(=O)c1cn(C)nc1Br ZINC001351798656 866971875 /nfs/dbraw/zinc/97/18/75/866971875.db2.gz BDVOPNHKCDZJIF-UHFFFAOYSA-N -1 3 353.242 0.233 10 0 FCAEHM CN(CCCNC(=O)[C@@H]1C[C@H]1C1CCOCC1)Cc1nc(=O)n(C)[n-]1 ZINC001316838752 867507941 /nfs/dbraw/zinc/50/79/41/867507941.db2.gz SJVDMZULKAHMRE-UONOGXRCSA-N -1 3 351.451 0.109 10 0 FCAEHM COC(=O)C(C)(C)N1CCN(C(=O)CCc2c(C)nc[n-]c2=O)CC1 ZINC001320782714 868276097 /nfs/dbraw/zinc/27/60/97/868276097.db2.gz MCQCOLDWGMCUJB-UHFFFAOYSA-N -1 3 350.419 0.519 10 0 FCAEHM CC(=O)NCCN(C(=O)C[C@@H](N)c1cc(C)nc(Cl)c1)[C@H](C)C(=O)[O-] ZINC001327241030 870737451 /nfs/dbraw/zinc/73/74/51/870737451.db2.gz UBWDHPNTZIGVDJ-ZWNOBZJWSA-N -1 3 370.837 0.871 10 0 FCAEHM Cc1n[nH]c(C(=O)NC[C@H]2CC[C@@H](NC(=O)CN(C)C(C)C)C2)c1[O-] ZINC001344263489 870790842 /nfs/dbraw/zinc/79/08/42/870790842.db2.gz FGRUUOBDILFXPQ-QWHCGFSZSA-N -1 3 351.451 0.779 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)CS(=O)(=O)NC)CCN1C(=O)c1ccccc1[O-] ZINC001344816043 871041420 /nfs/dbraw/zinc/04/14/20/871041420.db2.gz HLCKLXJNNZNNCF-QWHCGFSZSA-N -1 3 369.443 0.051 10 0 FCAEHM CCOC1(CS(=O)(=O)N2CCc3nc[n-]c(=O)c3C2)CCOCC1 ZINC001328749530 871606587 /nfs/dbraw/zinc/60/65/87/871606587.db2.gz SAFLBTYHSBYFED-UHFFFAOYSA-N -1 3 357.432 0.456 10 0 FCAEHM Cc1nc(C)c(CC(=O)NCc2ccc(F)c(S(N)(=O)=O)c2)c(=O)[n-]1 ZINC001328859131 871672083 /nfs/dbraw/zinc/67/20/83/871672083.db2.gz NLWMANZOCPSDJC-UHFFFAOYSA-N -1 3 368.390 0.444 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)N2CCc3c(=O)[n-]cnc3C2)on1 ZINC001329272265 871923221 /nfs/dbraw/zinc/92/32/21/871923221.db2.gz GABIDPWIZYJCIU-UHFFFAOYSA-N -1 3 368.371 0.235 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-][C@@H]1CCO[C@@H]1c1nc(C)no1)[C@@H]1CCOC1 ZINC001329292582 871937571 /nfs/dbraw/zinc/93/75/71/871937571.db2.gz FRVFMKTWJPNQQW-NDBYEHHHSA-N -1 3 361.420 0.179 10 0 FCAEHM COC(=O)[C@](C)(CCF)[N-]S(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001329388347 871995529 /nfs/dbraw/zinc/99/55/29/871995529.db2.gz RCTVGHLUICNFHM-JQWIXIFHSA-N -1 3 359.441 0.022 10 0 FCAEHM COC(=O)[C@@](C)(CCF)[N-]S(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001329388349 871996488 /nfs/dbraw/zinc/99/64/88/871996488.db2.gz RCTVGHLUICNFHM-ZYHUDNBSSA-N -1 3 359.441 0.022 10 0 FCAEHM O=C1CC[C@H](c2noc([C@@H]3CCS(=O)(=O)[N-]3)n2)CN1CC1CCC1 ZINC001329443327 872033426 /nfs/dbraw/zinc/03/34/26/872033426.db2.gz WQKMQZUZSDSFTM-RYUDHWBXSA-N -1 3 354.432 0.940 10 0 FCAEHM O=C1CC[C@H](c2noc([C@H]3CCS(=O)(=O)[N-]3)n2)CN1CC1CCC1 ZINC001329443326 872033661 /nfs/dbraw/zinc/03/36/61/872033661.db2.gz WQKMQZUZSDSFTM-NWDGAFQWSA-N -1 3 354.432 0.940 10 0 FCAEHM NC(=O)CCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([N-]C(=O)C(F)F)C1 ZINC001348050666 872584095 /nfs/dbraw/zinc/58/40/95/872584095.db2.gz ITGLWBBDGSFLAA-HTQZYQBOSA-N -1 3 359.295 0.803 10 0 FCAEHM O=C(CCCn1cncn1)N1C[C@@H](C(F)(F)F)[C@H]([N-]C(=O)C(F)F)C1 ZINC001348051666 872585083 /nfs/dbraw/zinc/58/50/83/872585083.db2.gz SYULGWSHYFBRMY-RKDXNWHRSA-N -1 3 369.294 0.829 10 0 FCAEHM C[C@@]12COC[C@]1(C)CN(C(=O)C(=O)NCc1nc(C(F)(F)F)n[n-]1)C2 ZINC001330598942 872725962 /nfs/dbraw/zinc/72/59/62/872725962.db2.gz ZSYYAAMSPWLFFR-BETUJISGSA-N -1 3 361.324 0.325 10 0 FCAEHM CNC(=O)c1ccc(NCc2c(F)cccc2[N-]S(C)(=O)=O)nn1 ZINC001332160981 873397707 /nfs/dbraw/zinc/39/77/07/873397707.db2.gz MFTZPBIYYQXZST-UHFFFAOYSA-N -1 3 353.379 0.959 10 0 FCAEHM COC1(OC)CCCC[C@H]1[N-]S(=O)(=O)C1CCS(=O)(=O)CC1 ZINC001332764698 873648434 /nfs/dbraw/zinc/64/84/34/873648434.db2.gz UAVYPZXYXCUPJN-GFCCVEGCSA-N -1 3 355.478 0.415 10 0 FCAEHM COC(=O)C1CC2(C1)CN(C(=O)NC[C@@H]1CCCN1C)C[C@H]2C(=O)[O-] ZINC001333074553 873791076 /nfs/dbraw/zinc/79/10/76/873791076.db2.gz YGRNFTLDRNIBHY-UDRCLVEDSA-N -1 3 353.419 0.376 10 0 FCAEHM C[C@H]1C[C@@H]1CNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000265987745 210260236 /nfs/dbraw/zinc/26/02/36/210260236.db2.gz YDCHUEKLUXSSNT-VHSXEESVSA-N -1 3 369.418 0.977 10 0 FCAEHM CCN1CC[C@H]2OCCN(C(=O)c3ccccc3[N-]S(C)(=O)=O)[C@H]2C1 ZINC000293929024 214212801 /nfs/dbraw/zinc/21/28/01/214212801.db2.gz PNFMBLSKOSRTAR-JKSUJKDBSA-N -1 3 367.471 0.993 10 0 FCAEHM COc1ccc(CCNC(=O)CN2CC(=O)[N-]C2=O)c(Cl)c1OC ZINC000294029034 214218699 /nfs/dbraw/zinc/21/86/99/214218699.db2.gz NUSAFYNUIGYPQI-UHFFFAOYSA-N -1 3 355.778 0.568 10 0 FCAEHM CCOC(=O)[C@@H]1CCCc2sc(NC(=O)CN3CC(=O)[N-]C3=O)nc21 ZINC000294304599 214236748 /nfs/dbraw/zinc/23/67/48/214236748.db2.gz UYOKOOVWUAJTFI-MRVPVSSYSA-N -1 3 366.399 0.616 10 0 FCAEHM C[C@](O)(C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O)c1ccc(Cl)cc1 ZINC000294345329 214238926 /nfs/dbraw/zinc/23/89/26/214238926.db2.gz SIAKQSOWYHTRBL-CVEARBPZSA-N -1 3 351.790 0.748 10 0 FCAEHM CCOc1ccncc1S(=O)(=O)[N-][C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000295675944 214312555 /nfs/dbraw/zinc/31/25/55/214312555.db2.gz ROXMSNPTSVEZKL-GFCCVEGCSA-N -1 3 365.415 0.298 10 0 FCAEHM CC[C@@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC)[C@H](O)C(F)F ZINC000295664385 214311082 /nfs/dbraw/zinc/31/10/82/214311082.db2.gz GNWUAMZDLRVIRP-KCJUWKMLSA-N -1 3 372.415 0.278 10 0 FCAEHM CCc1nc(C[N-]S(=O)(=O)c2ccc(CCNC(=O)OC)s2)n[nH]1 ZINC000297048931 214376173 /nfs/dbraw/zinc/37/61/73/214376173.db2.gz LZNFAFNSXCQFIF-UHFFFAOYSA-N -1 3 373.460 0.806 10 0 FCAEHM CC[C@H](NC(=O)NCc1ccc(S(=O)(=O)[N-]C)s1)[C@H](O)C(F)F ZINC000297253243 214387941 /nfs/dbraw/zinc/38/79/41/214387941.db2.gz BBQZPHVBSJHOMS-WPRPVWTQSA-N -1 3 371.431 0.860 10 0 FCAEHM O=C(CNC(=O)c1ccccn1)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000265795016 210222198 /nfs/dbraw/zinc/22/21/98/210222198.db2.gz HEIZVWIYIFOTBC-UHFFFAOYSA-N -1 3 368.393 0.502 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N(C)[C@H]1CCN(C)C1=O ZINC000265698445 210199461 /nfs/dbraw/zinc/19/94/61/210199461.db2.gz RYELPHBIOCMWEV-JQWIXIFHSA-N -1 3 357.407 0.182 10 0 FCAEHM COC(=O)CSCC[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000290882186 214000739 /nfs/dbraw/zinc/00/07/39/214000739.db2.gz YWWLILOTLUTNPG-UHFFFAOYSA-N -1 3 365.429 0.868 10 0 FCAEHM CCOC1CC(O)(C[N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)C1 ZINC000289784069 213903752 /nfs/dbraw/zinc/90/37/52/213903752.db2.gz IHPVOXSGXHWSQK-UHFFFAOYSA-N -1 3 361.416 0.891 10 0 FCAEHM CNS(=O)(=O)CC[N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000190597179 530017947 /nfs/dbraw/zinc/01/79/47/530017947.db2.gz DDWLFHKPJKFUGD-UHFFFAOYSA-N -1 3 361.272 0.962 10 0 FCAEHM CCCN(CC(=O)Nc1ccccc1OC)C(=O)CN1CC(=O)[N-]C1=O ZINC000265435592 210134916 /nfs/dbraw/zinc/13/49/16/210134916.db2.gz HZXKRGZUBFQNMF-UHFFFAOYSA-N -1 3 362.386 0.424 10 0 FCAEHM COc1ccc2c(c1)[n-]cc(C(=O)N1CC[C@H](NS(C)(=O)=O)C1)c2=O ZINC000265434302 210133410 /nfs/dbraw/zinc/13/34/10/210133410.db2.gz NRKUZBHWGHNXTF-JTQLQIEISA-N -1 3 365.411 0.713 10 0 FCAEHM COc1cccc(N2CCC[C@H](NC(=O)c3cn(C)c(=O)[n-]c3=O)C2)c1 ZINC000265286357 210088666 /nfs/dbraw/zinc/08/86/66/210088666.db2.gz KYFVQNPTAZULMA-LBPRGKRZSA-N -1 3 358.398 0.893 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1ccc(CN2C(=O)CSC2=O)cc1 ZINC000264911485 210014246 /nfs/dbraw/zinc/01/42/46/210014246.db2.gz ZLJKJQZNNHTYNQ-UHFFFAOYSA-N -1 3 362.367 0.372 10 0 FCAEHM Cn1ccnc1[C@H]1CN(C(=O)NCc2nnc(C(F)(F)F)[n-]2)CCN1C ZINC000333212953 215251830 /nfs/dbraw/zinc/25/18/30/215251830.db2.gz DCEUZNNWPOOSPC-SECBINFHSA-N -1 3 372.355 0.755 10 0 FCAEHM Cn1ccnc1[C@H]1CN(C(=O)NCc2n[n-]c(C(F)(F)F)n2)CCN1C ZINC000333212953 215251832 /nfs/dbraw/zinc/25/18/32/215251832.db2.gz DCEUZNNWPOOSPC-SECBINFHSA-N -1 3 372.355 0.755 10 0 FCAEHM Cn1ccnc1[C@H]1CN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)CCN1C ZINC000333212953 215251835 /nfs/dbraw/zinc/25/18/35/215251835.db2.gz DCEUZNNWPOOSPC-SECBINFHSA-N -1 3 372.355 0.755 10 0 FCAEHM O=C(C[C@@H]1Sc2ccccc2NC1=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000333337149 215266862 /nfs/dbraw/zinc/26/68/62/215266862.db2.gz SAIBDVPRXQVIAL-YVEFUNNKSA-N -1 3 374.422 0.690 10 0 FCAEHM C[C@@H](CCS(C)(=O)=O)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000361256928 215386525 /nfs/dbraw/zinc/38/65/25/215386525.db2.gz FYIVJVAIXIGNCE-JSGCOSHPSA-N -1 3 368.455 0.936 10 0 FCAEHM CCC[C@]1(NS(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)CCOC1 ZINC000285391001 213335024 /nfs/dbraw/zinc/33/50/24/213335024.db2.gz SKXSHEPGHYOZGK-HNNXBMFYSA-N -1 3 368.415 0.272 10 0 FCAEHM O=C(C[C@]1(C(=O)[N-]O[C@H]2CCCCO2)CC[NH2+]C1)[N-]O[C@@H]1CCCCO1 ZINC000361738731 215402187 /nfs/dbraw/zinc/40/21/87/215402187.db2.gz AXOUIKFMZIBVAK-HLLBOEOZSA-N -1 3 371.434 0.505 10 0 FCAEHM CCNC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1[n-]ncc1C(=O)OCC ZINC000284088723 213071045 /nfs/dbraw/zinc/07/10/45/213071045.db2.gz AMMFSXVDZXONGH-NSHDSACASA-N -1 3 372.447 0.656 10 0 FCAEHM CCNC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1n[n-]cc1C(=O)OCC ZINC000284088723 213071048 /nfs/dbraw/zinc/07/10/48/213071048.db2.gz AMMFSXVDZXONGH-NSHDSACASA-N -1 3 372.447 0.656 10 0 FCAEHM CCS(=O)(=O)CCCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000412862439 237248368 /nfs/dbraw/zinc/24/83/68/237248368.db2.gz GGEPHUGNESNHQU-CQSZACIVSA-N -1 3 368.455 0.938 10 0 FCAEHM Cn1cc(N2CC[C@H]([N-]C(=O)C(F)(F)C3(O)CCCCC3)C2=O)cn1 ZINC000366777485 216030665 /nfs/dbraw/zinc/03/06/65/216030665.db2.gz QGEYQUOGHMVLTD-LBPRGKRZSA-N -1 3 356.373 0.972 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H](C)C(=O)N1CCCC1 ZINC000281601474 212742747 /nfs/dbraw/zinc/74/27/47/212742747.db2.gz DEZBIUKONRKGSJ-RYUDHWBXSA-N -1 3 371.434 0.620 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCNC[C@@H]1C(F)F ZINC000367284962 216103578 /nfs/dbraw/zinc/10/35/78/216103578.db2.gz ANQRBSPYLIKIPB-SSDOTTSWSA-N -1 3 373.834 0.745 10 0 FCAEHM CC(=O)OCCCS(=O)(=O)[N-][C@@H]1CCCN(c2cccnc2)C1=O ZINC000367829834 216169295 /nfs/dbraw/zinc/16/92/95/216169295.db2.gz XZHGUUBHYWQGHV-CQSZACIVSA-N -1 3 355.416 0.450 10 0 FCAEHM C[C@]1(c2ccc(C(=O)N3CCNC[C@@H]3C(F)F)cc2)NC(=O)[N-]C1=O ZINC000367997575 216191137 /nfs/dbraw/zinc/19/11/37/216191137.db2.gz MSHMGTYEFDTPIR-BDJLRTHQSA-N -1 3 352.341 0.420 10 0 FCAEHM C[C@H]1CCCN(S(=O)(=O)[N-][C@H]2CCCN(c3ccn(C)n3)C2=O)C1 ZINC000246118736 209378730 /nfs/dbraw/zinc/37/87/30/209378730.db2.gz IXFCQZDAMWKLAC-STQMWFEESA-N -1 3 355.464 0.482 10 0 FCAEHM COC[C@H](CO)[N-]S(=O)(=O)c1cc(Br)ccc1OC ZINC000234808534 209342077 /nfs/dbraw/zinc/34/20/77/209342077.db2.gz YZURAJRBGQXVDY-VIFPVBQESA-N -1 3 354.222 0.743 10 0 FCAEHM COC[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)ccc1OC ZINC000234880585 209341305 /nfs/dbraw/zinc/34/13/05/209341305.db2.gz YZURAJRBGQXVDY-SECBINFHSA-N -1 3 354.222 0.743 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N(CCO)CC(F)F ZINC000194369831 209324905 /nfs/dbraw/zinc/32/49/05/209324905.db2.gz KBCVPMSBGLBEQL-VIFPVBQESA-N -1 3 354.350 0.579 10 0 FCAEHM CCN1CCC[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c2c(C)noc2C)C1 ZINC000194640872 209327340 /nfs/dbraw/zinc/32/73/40/209327340.db2.gz JSWKMVVZQXKUIN-WCQYABFASA-N -1 3 358.464 0.559 10 0 FCAEHM CC(C)NC(=O)c1ccc(C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000279571133 212565676 /nfs/dbraw/zinc/56/56/76/212565676.db2.gz STYSAECWCIOQNM-GOSISDBHSA-N -1 3 358.398 0.639 10 0 FCAEHM C[C@@H](C(=O)NCCc1ccc(F)cc1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000192638251 209302197 /nfs/dbraw/zinc/30/21/97/209302197.db2.gz RIFJNKSGTOSMJA-KPZWWZAWSA-N -1 3 362.405 0.547 10 0 FCAEHM Cc1cccc(C)c1-n1nnnc1CN1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000192659741 209303434 /nfs/dbraw/zinc/30/34/34/209303434.db2.gz AEBFETZRQAYTRR-KRWDZBQOSA-N -1 3 355.402 0.453 10 0 FCAEHM O=C(CN1CCC[C@@]2(C1)NC(=O)[N-]C2=O)NCc1cc(F)cc(F)c1 ZINC000192685192 209302018 /nfs/dbraw/zinc/30/20/18/209302018.db2.gz MYCOFJLKZXTGGQ-INIZCTEOSA-N -1 3 352.341 0.255 10 0 FCAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CN3C(=O)CN(C)C3=O)cc2)n1 ZINC000368866990 216310623 /nfs/dbraw/zinc/31/06/23/216310623.db2.gz PFMTZNLVOSHTBK-UHFFFAOYSA-N -1 3 355.354 0.578 10 0 FCAEHM COc1ccc(S(=O)(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1C ZINC000278728510 212482687 /nfs/dbraw/zinc/48/26/87/212482687.db2.gz LRSFFVILEYSOPC-OAHLLOKOSA-N -1 3 353.400 0.366 10 0 FCAEHM Cc1cc(N2CCN(C(=O)C[N-]S(=O)(=O)c3cccs3)CC2)n[nH]1 ZINC000189755185 209258920 /nfs/dbraw/zinc/25/89/20/209258920.db2.gz GNEDEHGHOKEDHZ-UHFFFAOYSA-N -1 3 369.472 0.407 10 0 FCAEHM CCn1nccc1N1CCC[C@H]([N-]S(=O)(=O)N2CCC[C@@H]2C)C1=O ZINC000189159794 209247600 /nfs/dbraw/zinc/24/76/00/209247600.db2.gz NZSXPFLKLATQBY-STQMWFEESA-N -1 3 355.464 0.717 10 0 FCAEHM CC1(CNC(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)OCCCO1 ZINC000277620294 212381714 /nfs/dbraw/zinc/38/17/14/212381714.db2.gz VBASZSWOGVAWHM-UHFFFAOYSA-N -1 3 359.382 0.940 10 0 FCAEHM CN(C(=O)C(=O)[N-]c1cnns1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000277455621 212361374 /nfs/dbraw/zinc/36/13/74/212361374.db2.gz GSHVXTBDQKZDKR-LLVKDONJSA-N -1 3 363.374 0.880 10 0 FCAEHM COC(=O)[C@@H](C)CS(=O)(=O)[N-]Cc1cn(-c2ccc(OC)cc2)nn1 ZINC000370403422 216555334 /nfs/dbraw/zinc/55/53/34/216555334.db2.gz ASHOJIWYISYQSA-NSHDSACASA-N -1 3 368.415 0.504 10 0 FCAEHM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@@H]1CCCN1C ZINC000276825537 212294049 /nfs/dbraw/zinc/29/40/49/212294049.db2.gz DQLSCCWXHQLZSS-LBPRGKRZSA-N -1 3 361.489 0.309 10 0 FCAEHM COC(=O)NCCc1ccc(S(=O)(=O)[N-]CCc2nc(C)no2)s1 ZINC000276534474 212250556 /nfs/dbraw/zinc/25/05/56/212250556.db2.gz VJCLUUMKZPSNJX-UHFFFAOYSA-N -1 3 374.444 0.859 10 0 FCAEHM CO[C@H]1CN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)CC[C@@H]1C ZINC000187961182 209220583 /nfs/dbraw/zinc/22/05/83/209220583.db2.gz DJIOOIPZSXQPLR-WPRPVWTQSA-N -1 3 360.208 0.183 10 0 FCAEHM Cn1ncc2c1nc(N1CCN(C(=O)c3ccc([O-])cc3)CC1)nc2N ZINC000276371340 212222435 /nfs/dbraw/zinc/22/24/35/212222435.db2.gz BNFMPXAMDMJEAB-UHFFFAOYSA-N -1 3 353.386 0.614 10 0 FCAEHM CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000276196905 212183451 /nfs/dbraw/zinc/18/34/51/212183451.db2.gz XZJAAODHLDYSPD-IUCAKERBSA-N -1 3 350.824 0.906 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCNC(=O)CC1 ZINC000275985909 212134044 /nfs/dbraw/zinc/13/40/44/212134044.db2.gz FSWAHAGLYFZYSV-UHFFFAOYSA-N -1 3 353.400 0.520 10 0 FCAEHM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@H]1CCC[C@@H]1O ZINC000275770682 212087406 /nfs/dbraw/zinc/08/74/06/212087406.db2.gz LTSRVACLKNJMSM-NEPJUHHUSA-N -1 3 362.473 0.376 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000185159518 209172596 /nfs/dbraw/zinc/17/25/96/209172596.db2.gz SQNXVLPVNSBECQ-JTQLQIEISA-N -1 3 370.331 0.952 10 0 FCAEHM C[C@H](O)CN1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000373529010 217028851 /nfs/dbraw/zinc/02/88/51/217028851.db2.gz KQZZZSQARBJUKR-GOEBONIOSA-N -1 3 361.442 0.522 10 0 FCAEHM NC(=O)c1cn(C2CN(C(=O)c3cc([O-])ccc3C(F)(F)F)C2)nn1 ZINC000373591200 217035771 /nfs/dbraw/zinc/03/57/71/217035771.db2.gz DSJMMUIHECCEEO-UHFFFAOYSA-N -1 3 355.276 0.799 10 0 FCAEHM O=C([O-])CN1CCC(NS(=O)(=O)c2c(Cl)nc3ccccn32)CC1 ZINC000275310323 212004330 /nfs/dbraw/zinc/00/43/30/212004330.db2.gz RIHHROVFNBNKQD-UHFFFAOYSA-N -1 3 372.834 0.815 10 0 FCAEHM O=C(NCCN1CCCOCC1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000373690617 217046849 /nfs/dbraw/zinc/04/68/49/217046849.db2.gz XJAQEHNIGNBSQF-INIZCTEOSA-N -1 3 361.442 0.835 10 0 FCAEHM O=C(CCc1ccc2c(c1)OCCO2)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000373832543 217066107 /nfs/dbraw/zinc/06/61/07/217066107.db2.gz OJVCLFJWKPJPER-SFHVURJKSA-N -1 3 359.382 0.591 10 0 FCAEHM O=C1[C@@H]([N-]S(=O)(=O)CC2CCOCC2)CCCN1c1cccnc1 ZINC000374592417 217146142 /nfs/dbraw/zinc/14/61/42/217146142.db2.gz GTERWSSOGJCLMS-HNNXBMFYSA-N -1 3 353.444 0.923 10 0 FCAEHM O=C([N-]CCCN1CCCN(S(=O)(=O)C2CC2)CC1)C(F)(F)F ZINC000374778944 217171925 /nfs/dbraw/zinc/17/19/25/217171925.db2.gz PMXZOLZWMXKFNQ-UHFFFAOYSA-N -1 3 357.398 0.555 10 0 FCAEHM COc1cccc([C@H]2[C@H](NC(=O)CN3CC(=O)[N-]C3=O)CCN2C2CC2)c1 ZINC000374889611 217185393 /nfs/dbraw/zinc/18/53/93/217185393.db2.gz CLFYDNXBULFXKC-QAPCUYQASA-N -1 3 372.425 0.641 10 0 FCAEHM Cn1nccc1[C@@H](CO)[N-]S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000416547108 245594624 /nfs/dbraw/zinc/59/46/24/245594624.db2.gz LKEPTBMAUGSKMT-SNVBAGLBSA-N -1 3 373.818 0.857 10 0 FCAEHM Cc1noc(C2CN(C(=O)[C@H](C)[N-]S(=O)(=O)c3ccccc3F)C2)n1 ZINC000375425276 217262712 /nfs/dbraw/zinc/26/27/12/217262712.db2.gz LNTMSWXEYUAPJM-VIFPVBQESA-N -1 3 368.390 0.810 10 0 FCAEHM C[C@@H]1CN(C(=O)NCc2nnc(C(F)(F)F)[n-]2)[C@@H](C)CN1CCO ZINC000419477026 246176065 /nfs/dbraw/zinc/17/60/65/246176065.db2.gz HGENGVSMYBRPAE-BDAKNGLRSA-N -1 3 350.345 0.420 10 0 FCAEHM C[C@@H]1CN(C(=O)NCc2n[n-]c(C(F)(F)F)n2)[C@@H](C)CN1CCO ZINC000419477026 246176071 /nfs/dbraw/zinc/17/60/71/246176071.db2.gz HGENGVSMYBRPAE-BDAKNGLRSA-N -1 3 350.345 0.420 10 0 FCAEHM CC(C)C[C@@H](CNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1)C(=O)[O-] ZINC000424494116 247240080 /nfs/dbraw/zinc/24/00/80/247240080.db2.gz PHTYQJFMPFKAJE-GJZGRUSLSA-N -1 3 353.463 0.936 10 0 FCAEHM CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424525367 247250330 /nfs/dbraw/zinc/25/03/30/247250330.db2.gz VZOXXYUJDHAWLX-OAHLLOKOSA-N -1 3 363.458 0.893 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)Nc1ccc2cc[nH]c(=O)c2c1 ZINC000425127807 247296774 /nfs/dbraw/zinc/29/67/74/247296774.db2.gz ZRVJMOQGGMKNNI-UHFFFAOYSA-N -1 3 353.400 0.835 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)N[C@H]2CCC(=O)N(C)C2=O)ccc1F ZINC000425675225 247359933 /nfs/dbraw/zinc/35/99/33/247359933.db2.gz QYMLVQHNTJVXRJ-JTQLQIEISA-N -1 3 372.378 0.003 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)N2CC[C@@H](c3nnc[nH]3)C2)ccc1F ZINC000425677408 247360894 /nfs/dbraw/zinc/36/08/94/247360894.db2.gz VULOTTCTWIQLPK-SECBINFHSA-N -1 3 368.394 0.873 10 0 FCAEHM Cn1cc(NC(=O)C(=O)NCCNC(=O)c2ccc([O-])cc2)c(C2CC2)n1 ZINC000436678659 248045955 /nfs/dbraw/zinc/04/59/55/248045955.db2.gz HWMRDENZPXQBMF-UHFFFAOYSA-N -1 3 371.397 0.488 10 0 FCAEHM CCOC(=O)[C@@H]1CC[C@H]([N-]S(=O)(=O)c2csnc2C(=O)OC)C1 ZINC000435643862 248006888 /nfs/dbraw/zinc/00/68/88/248006888.db2.gz FJRAYKHHAICLPU-BDAKNGLRSA-N -1 3 362.429 0.940 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)N(C)C[C@@H]2CCS(=O)(=O)C2)c([O-])c1 ZINC000436970114 248055196 /nfs/dbraw/zinc/05/51/96/248055196.db2.gz KRMSEHBEGDPBFK-ZDUSSCGKSA-N -1 3 368.455 0.714 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)NC[C@@]2(CCO)CCOC2)c([O-])c1 ZINC000436975575 248056584 /nfs/dbraw/zinc/05/65/84/248056584.db2.gz LEYYXFGKKBXSKS-GOSISDBHSA-N -1 3 350.415 0.726 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N(C)[C@H]2CC[C@H](O)CC2)cn1C ZINC000440031667 248152214 /nfs/dbraw/zinc/15/22/14/248152214.db2.gz DEGUCZLXYWWKEG-JOCQHMNTSA-N -1 3 358.464 0.159 10 0 FCAEHM CC(C)[C@@H](O)CNC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000442593899 248291490 /nfs/dbraw/zinc/29/14/90/248291490.db2.gz PDQXHVLSJMONOY-LBPRGKRZSA-N -1 3 365.402 0.559 10 0 FCAEHM CCNC(=O)C1CN(C(=O)CC[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000443616801 248333642 /nfs/dbraw/zinc/33/36/42/248333642.db2.gz SWYWZNFQQVYAHQ-UHFFFAOYSA-N -1 3 357.407 0.089 10 0 FCAEHM CCNC(=O)C1CN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000443625379 248333912 /nfs/dbraw/zinc/33/39/12/248333912.db2.gz JXWVFXPOFNJBCY-UHFFFAOYSA-N -1 3 365.864 0.274 10 0 FCAEHM CO[C@@H](C)c1cccc(NC(=O)C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)c1 ZINC000442030759 248271782 /nfs/dbraw/zinc/27/17/82/248271782.db2.gz UEMMLKHHOUVFRR-GWCFXTLKSA-N -1 3 360.370 0.095 10 0 FCAEHM CC(C)[C@H](O)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000271121901 211340894 /nfs/dbraw/zinc/34/08/94/211340894.db2.gz PSOQIBDENVFYNG-SNVBAGLBSA-N -1 3 350.824 0.499 10 0 FCAEHM COC(=O)c1cccc(NC2CCN(C(=O)C[C@@H]3NC(=O)[N-]C3=O)CC2)c1 ZINC000270854031 211283497 /nfs/dbraw/zinc/28/34/97/211283497.db2.gz KRGLHXZTWJEMFK-AWEZNQCLSA-N -1 3 374.397 0.474 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000270616381 211234825 /nfs/dbraw/zinc/23/48/25/211234825.db2.gz RZHVZNPUVUAGKA-KBPBESRZSA-N -1 3 358.398 0.396 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000270608201 211233926 /nfs/dbraw/zinc/23/39/26/211233926.db2.gz PZJMXPIQDGCIEG-MNOVXSKESA-N -1 3 350.762 0.160 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000270579180 211226500 /nfs/dbraw/zinc/22/65/00/211226500.db2.gz JHEHPSVDAZTTKZ-ZJUUUORDSA-N -1 3 350.762 0.160 10 0 FCAEHM C[C@H]1CCCN(Cc2csc(NC(=O)C[C@@H]3NC(=O)[N-]C3=O)n2)C1 ZINC000270572606 211225090 /nfs/dbraw/zinc/22/50/90/211225090.db2.gz BSPRZZIGQUHOLH-ONGXEEELSA-N -1 3 351.432 0.912 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCCc1cc(Cl)c2c(c1)OCCO2 ZINC000270343525 211187120 /nfs/dbraw/zinc/18/71/20/211187120.db2.gz MBZABAXXBVSSDN-JTQLQIEISA-N -1 3 353.762 0.368 10 0 FCAEHM Cn1cc([C@@H](CO)[N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)cn1 ZINC000270243148 211173161 /nfs/dbraw/zinc/17/31/61/211173161.db2.gz SLIYWVOSEHFWOS-LLVKDONJSA-N -1 3 373.818 0.857 10 0 FCAEHM CC[C@@H](NC(=O)CN1CC(=O)[N-]C1=O)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000270096906 211153713 /nfs/dbraw/zinc/15/37/13/211153713.db2.gz IEOLURRSHFEJFG-PBHICJAKSA-N -1 3 370.413 0.623 10 0 FCAEHM COc1ccsc1S(=O)(=O)[N-]Cc1ccc(S(N)(=O)=O)cc1 ZINC000471720931 250117722 /nfs/dbraw/zinc/11/77/22/250117722.db2.gz OLHZFCLHWZBZBW-UHFFFAOYSA-N -1 3 362.454 0.883 10 0 FCAEHM O=C(CNC(=O)NCc1ncccc1[O-])N1CCN(c2ccccc2)CC1 ZINC000471762712 250119783 /nfs/dbraw/zinc/11/97/83/250119783.db2.gz SLMODPDYYUAZNE-UHFFFAOYSA-N -1 3 369.425 0.935 10 0 FCAEHM C[C@@]1(c2ccc(CNC(=O)NCc3ncccc3[O-])cc2)NC(=O)NC1=O ZINC000471825027 250121018 /nfs/dbraw/zinc/12/10/18/250121018.db2.gz IIDWQSSBNFATQC-SFHVURJKSA-N -1 3 369.381 0.841 10 0 FCAEHM CNC(=O)CCCN(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000269977092 211129991 /nfs/dbraw/zinc/12/99/91/211129991.db2.gz VMYWSCPMGDYNDK-NSHDSACASA-N -1 3 359.423 0.477 10 0 FCAEHM C[C@]1(c2ccc(CNC(=O)NCc3ncccc3[O-])cc2)NC(=O)NC1=O ZINC000471825026 250121388 /nfs/dbraw/zinc/12/13/88/250121388.db2.gz IIDWQSSBNFATQC-GOSISDBHSA-N -1 3 369.381 0.841 10 0 FCAEHM Cc1cccc(=O)n1C[C@](C)(O)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000472329160 250146711 /nfs/dbraw/zinc/14/67/11/250146711.db2.gz RZDGJUCBSHVWLD-SFHVURJKSA-N -1 3 368.397 0.650 10 0 FCAEHM Cc1cccc(=O)n1C[C@](C)(O)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000472329160 250146713 /nfs/dbraw/zinc/14/67/13/250146713.db2.gz RZDGJUCBSHVWLD-SFHVURJKSA-N -1 3 368.397 0.650 10 0 FCAEHM C[C@@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1N)C1CCN(CC(F)(F)F)CC1 ZINC000473170100 250205842 /nfs/dbraw/zinc/20/58/42/250205842.db2.gz DSSMTHLDBNVVFT-SSDOTTSWSA-N -1 3 363.340 0.863 10 0 FCAEHM Cc1[nH]c2ccnn2c(=O)c1CC(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000473944654 250258813 /nfs/dbraw/zinc/25/88/13/250258813.db2.gz XYEIXUJYKGGPJK-UHFFFAOYSA-N -1 3 364.369 0.616 10 0 FCAEHM Cc1[nH]c2ccnn2c(=O)c1CC(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000473944654 250258817 /nfs/dbraw/zinc/25/88/17/250258817.db2.gz XYEIXUJYKGGPJK-UHFFFAOYSA-N -1 3 364.369 0.616 10 0 FCAEHM COC(=O)[C@@H](O)C(C)(C)[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000480856674 250288890 /nfs/dbraw/zinc/28/88/90/250288890.db2.gz VRJXCXKDIHVVPA-CYBMUJFWSA-N -1 3 374.390 0.301 10 0 FCAEHM C[C@H](CC[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)[S@@](C)=O ZINC000481083396 250313554 /nfs/dbraw/zinc/31/35/54/250313554.db2.gz TVNKLSXOTXFFJS-GIGQVBGESA-N -1 3 353.487 0.526 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]C[C@H](O)C(F)(F)F)cnn1-c1ccccn1 ZINC000269744292 211062552 /nfs/dbraw/zinc/06/25/52/211062552.db2.gz VYLYNCXVNVTLNQ-JTQLQIEISA-N -1 3 350.322 0.777 10 0 FCAEHM CCn1cnnc1CNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000080309295 208093684 /nfs/dbraw/zinc/09/36/84/208093684.db2.gz ZSXXIJAQJBTVKV-JTQLQIEISA-N -1 3 355.395 0.420 10 0 FCAEHM CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000102889442 208174008 /nfs/dbraw/zinc/17/40/08/208174008.db2.gz WKVQFVJCJPNQJS-ZETCQYMHSA-N -1 3 355.342 0.966 10 0 FCAEHM CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000102889442 208174011 /nfs/dbraw/zinc/17/40/11/208174011.db2.gz WKVQFVJCJPNQJS-ZETCQYMHSA-N -1 3 355.342 0.966 10 0 FCAEHM CCS(=O)(=O)N1CCC(C(=O)Nc2cc(-c3nccn3C)[n-]n2)CC1 ZINC000119583363 208364307 /nfs/dbraw/zinc/36/43/07/208364307.db2.gz LHOHUNLHIVYIFH-UHFFFAOYSA-N -1 3 366.447 0.810 10 0 FCAEHM CCS(=O)(=O)N1CCC(C(=O)Nc2cc(-c3nccn3C)n[n-]2)CC1 ZINC000119583363 208364313 /nfs/dbraw/zinc/36/43/13/208364313.db2.gz LHOHUNLHIVYIFH-UHFFFAOYSA-N -1 3 366.447 0.810 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC(n2cncn2)CC1 ZINC000120391468 208382628 /nfs/dbraw/zinc/38/26/28/208382628.db2.gz JJZFSZALQBSVIP-NSHDSACASA-N -1 3 369.472 0.870 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)c2cccc(CS(N)(=O)=O)c2)n[n-]1 ZINC000179055248 209072135 /nfs/dbraw/zinc/07/21/35/209072135.db2.gz JLQFZYJVKYUNCA-UHFFFAOYSA-N -1 3 360.399 0.851 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)c2cccc(CS(N)(=O)=O)c2)[n-]n1 ZINC000179055248 209072140 /nfs/dbraw/zinc/07/21/40/209072140.db2.gz JLQFZYJVKYUNCA-UHFFFAOYSA-N -1 3 360.399 0.851 10 0 FCAEHM NC(=O)[C@@H]1COCCN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000179724691 209085907 /nfs/dbraw/zinc/08/59/07/209085907.db2.gz DYKORSXJDUGVMC-JTQLQIEISA-N -1 3 360.395 0.931 10 0 FCAEHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000179756394 209086695 /nfs/dbraw/zinc/08/66/95/209086695.db2.gz LKPULJMDYVMGNX-SECBINFHSA-N -1 3 350.762 0.943 10 0 FCAEHM C[C@@]1(c2ccc(CNC(=O)[C@]3(C)CCC(=O)NC3)cc2)NC(=O)[N-]C1=O ZINC000409633888 230035978 /nfs/dbraw/zinc/03/59/78/230035978.db2.gz ZOFMGFZWVVUEHP-MSOLQXFVSA-N -1 3 358.398 0.274 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)Nc1ccc2c(n1)OCCO2 ZINC000622159161 484473942 /nfs/dbraw/zinc/47/39/42/484473942.db2.gz KDXDYXJCEFDJQV-UHFFFAOYSA-N -1 3 368.371 0.375 10 0 FCAEHM Cn1cc(N2C[C@H](C(=O)Nc3cc(-c4nccn4C)[n-]n3)CC2=O)cn1 ZINC000629974759 484486913 /nfs/dbraw/zinc/48/69/13/484486913.db2.gz MJHJPMQGVQFUOT-SNVBAGLBSA-N -1 3 354.374 0.535 10 0 FCAEHM Cn1cc(N2C[C@H](C(=O)Nc3cc(-c4nccn4C)n[n-]3)CC2=O)cn1 ZINC000629974759 484486918 /nfs/dbraw/zinc/48/69/18/484486918.db2.gz MJHJPMQGVQFUOT-SNVBAGLBSA-N -1 3 354.374 0.535 10 0 FCAEHM Cn1ccc(NC(=O)CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])n1 ZINC000614039847 484493462 /nfs/dbraw/zinc/49/34/62/484493462.db2.gz HHWKRJQAKGJEOF-CYBMUJFWSA-N -1 3 371.397 0.485 10 0 FCAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@H](CF)C(=O)OC ZINC000451564505 489509549 /nfs/dbraw/zinc/50/95/49/489509549.db2.gz LUAMCSVKUCKRHS-RQJHMYQMSA-N -1 3 353.290 0.301 10 0 FCAEHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H](O)CN3CCOCC3)nc2)n1 ZINC000301743826 488883511 /nfs/dbraw/zinc/88/35/11/488883511.db2.gz WBSLMJKQIPEJQK-OAHLLOKOSA-N -1 3 359.430 0.912 10 0 FCAEHM O=C1[N-]C(=O)[C@@]2(CCCN(S(=O)(=O)Cc3cccc4cccnc43)C2)N1 ZINC000278601496 488884415 /nfs/dbraw/zinc/88/44/15/488884415.db2.gz BZDQUKIIULVVHO-KRWDZBQOSA-N -1 3 374.422 0.739 10 0 FCAEHM COCC(=O)N1CCc2c1cccc2NC(=O)CC[C@H]1NC(=O)[N-]C1=O ZINC000363817250 488888454 /nfs/dbraw/zinc/88/84/54/488888454.db2.gz HGOIHWYELDOKLS-GFCCVEGCSA-N -1 3 360.370 0.149 10 0 FCAEHM O=S(=O)([N-]C[C@@]1(N2CCOCC2)CCCOC1)c1ccccc1F ZINC000363840073 488891352 /nfs/dbraw/zinc/89/13/52/488891352.db2.gz AXNCFGNTDMGDHU-INIZCTEOSA-N -1 3 358.435 0.985 10 0 FCAEHM O=C1N[C@H](CF)C(=O)N1CC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000287657695 488891687 /nfs/dbraw/zinc/89/16/87/488891687.db2.gz KKLISQRNYGMIPE-ZCFIWIBFSA-N -1 3 355.800 0.570 10 0 FCAEHM O=C1[N-]C(=O)[C@]2(CCCN(S(=O)(=O)C3=Cc4ccccc4OC3)C2)N1 ZINC000278725803 488892501 /nfs/dbraw/zinc/89/25/01/488892501.db2.gz LOUVYPZNZQIPGJ-MRXNPFEDSA-N -1 3 363.395 0.424 10 0 FCAEHM CCC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H]1C[C@]1(C)NC(=O)[N-]C1=O ZINC000287692720 488895535 /nfs/dbraw/zinc/89/55/35/488895535.db2.gz CYHLUESPTDYROG-USBNGQNGSA-N -1 3 368.459 0.277 10 0 FCAEHM Cc1nc(NC(=O)[C@@H](C)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)sc1C ZINC000278744314 488893060 /nfs/dbraw/zinc/89/30/60/488893060.db2.gz AGTIEJZKTUPKPK-PSLIRLAXSA-N -1 3 351.432 0.761 10 0 FCAEHM O=C1[N-]C(=O)[C@]2(CCCN(S(=O)(=O)/C=C/c3ccc(F)cc3)C2)N1 ZINC000278814779 488897626 /nfs/dbraw/zinc/89/76/26/488897626.db2.gz SPOREELIHQAUPS-RZIFZGNASA-N -1 3 353.375 0.800 10 0 FCAEHM O=C1[N-]C(=O)[C@]2(CCCN(S(=O)(=O)c3ccc4ncsc4c3)C2)N1 ZINC000278880289 488902480 /nfs/dbraw/zinc/90/24/80/488902480.db2.gz ZORWZKCWIJOXEW-CQSZACIVSA-N -1 3 366.424 0.659 10 0 FCAEHM CS(=O)(=O)c1cccc(OCCN2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000279055054 488913981 /nfs/dbraw/zinc/91/39/81/488913981.db2.gz KYQBJJWMBYRESY-MRXNPFEDSA-N -1 3 367.427 0.143 10 0 FCAEHM C[C@H](C(=O)NC(=O)Nc1ccccc1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279060547 488914020 /nfs/dbraw/zinc/91/40/20/488914020.db2.gz LNIVARLLKBVTRC-PIGZYNQJSA-N -1 3 359.386 0.397 10 0 FCAEHM O=C(c1ccc2c(c1)NC(=O)CS2)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000326982854 488917338 /nfs/dbraw/zinc/91/73/38/488917338.db2.gz VLCUSOFKOVXOND-INIZCTEOSA-N -1 3 360.395 0.545 10 0 FCAEHM Cc1cccc(S(=O)(=O)CCCN2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000279122363 488918796 /nfs/dbraw/zinc/91/87/96/488918796.db2.gz UWRNGYGRGTUMQD-KRWDZBQOSA-N -1 3 365.455 0.833 10 0 FCAEHM CC(C)c1nc(S(=O)(=O)[N-][C@@H]2CCCN(c3ccnn3C)C2=O)c[nH]1 ZINC000328613563 488923819 /nfs/dbraw/zinc/92/38/19/488923819.db2.gz SIOVQTXSXVXRJV-LLVKDONJSA-N -1 3 366.447 0.741 10 0 FCAEHM Cc1cccc(S(=O)(=O)CCCN2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000279122367 488918852 /nfs/dbraw/zinc/91/88/52/488918852.db2.gz UWRNGYGRGTUMQD-QGZVFWFLSA-N -1 3 365.455 0.833 10 0 FCAEHM O=C(CN1CCC[C@]2(C1)NC(=O)[N-]C2=O)Nc1ccc(N2CCCC2)cc1 ZINC000279135580 488919169 /nfs/dbraw/zinc/91/91/69/488919169.db2.gz WUBUZHZPZREPCO-LJQANCHMSA-N -1 3 371.441 0.899 10 0 FCAEHM O=C(CN1CCC[C@@]2(C1)NC(=O)[N-]C2=O)Nc1ccnn1C1CCCC1 ZINC000279129865 488919467 /nfs/dbraw/zinc/91/94/67/488919467.db2.gz VWUPUJCJUHOWDO-KRWDZBQOSA-N -1 3 360.418 0.611 10 0 FCAEHM CN(C)S(=O)(=O)c1cccc(CN2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000279155706 488920858 /nfs/dbraw/zinc/92/08/58/488920858.db2.gz ZFSXDSFEMCLSQQ-MRXNPFEDSA-N -1 3 366.443 0.111 10 0 FCAEHM COc1ccccc1[C@H](C)NC(=O)CN1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279152063 488920960 /nfs/dbraw/zinc/92/09/60/488920960.db2.gz YVCMBFWFYPJBPP-KPZWWZAWSA-N -1 3 360.414 0.546 10 0 FCAEHM Cc1ccn(C[C@](C)(O)C(=O)NCc2ccc(-c3nnn[n-]3)cc2)c(=O)c1 ZINC000279432185 488941731 /nfs/dbraw/zinc/94/17/31/488941731.db2.gz ZIIYWCFSIIIVSD-SFHVURJKSA-N -1 3 368.397 0.404 10 0 FCAEHM Cc1ccn(C[C@](C)(O)C(=O)NCc2ccc(-c3nn[n-]n3)cc2)c(=O)c1 ZINC000279432185 488941735 /nfs/dbraw/zinc/94/17/35/488941735.db2.gz ZIIYWCFSIIIVSD-SFHVURJKSA-N -1 3 368.397 0.404 10 0 FCAEHM COc1ccc(CCC(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1OC ZINC000279505015 488947439 /nfs/dbraw/zinc/94/74/39/488947439.db2.gz OEFNYVNELKQFKM-GOSISDBHSA-N -1 3 361.398 0.837 10 0 FCAEHM O=C(c1ccc(-n2cc[nH]c2=S)cc1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279503369 488947718 /nfs/dbraw/zinc/94/77/18/488947718.db2.gz OBDKDTUITAMDQK-QGZVFWFLSA-N -1 3 371.422 0.975 10 0 FCAEHM Cc1ccc(-n2cc(C(=O)N3CCC[C@@]4(C3)NC(=O)[N-]C4=O)nn2)cc1 ZINC000279519967 488949421 /nfs/dbraw/zinc/94/94/21/488949421.db2.gz PJOZWETYHKDAMD-KRWDZBQOSA-N -1 3 354.370 0.390 10 0 FCAEHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)s1 ZINC000329007590 488960041 /nfs/dbraw/zinc/96/00/41/488960041.db2.gz YIHGUDBPNZHOFC-ZWNOBZJWSA-N -1 3 369.472 0.744 10 0 FCAEHM COc1cc(CN(C)C(=O)C[C@@H]2NC(=O)[N-]C2=O)ccc1OC(F)F ZINC000042812675 487878509 /nfs/dbraw/zinc/87/85/09/487878509.db2.gz NZJVYUYBLXKQIY-VIFPVBQESA-N -1 3 357.313 0.853 10 0 FCAEHM O=C(NCCCN1CCCC1=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000042877360 487881401 /nfs/dbraw/zinc/88/14/01/487881401.db2.gz QFCRBWRJJIQWPP-UHFFFAOYSA-N -1 3 374.441 0.872 10 0 FCAEHM O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000044959325 487927208 /nfs/dbraw/zinc/92/72/08/487927208.db2.gz GCAOJDPNTFYACQ-YPMHNXCESA-N -1 3 352.412 0.300 10 0 FCAEHM COC(=O)CC1(CS(=O)(=O)[N-][C@H]2COc3ccccc3[C@@H]2O)CC1 ZINC000288301381 488967960 /nfs/dbraw/zinc/96/79/60/488967960.db2.gz DEUXYLFEUWAUNC-WFASDCNBSA-N -1 3 355.412 0.744 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000056209100 488254395 /nfs/dbraw/zinc/25/43/95/488254395.db2.gz LJXGLPWDSBVIKT-ZJUUUORDSA-N -1 3 368.187 0.987 10 0 FCAEHM O=C([C@H]1CC(=O)N(C2CCCCC2)C1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000569792246 491191619 /nfs/dbraw/zinc/19/16/19/491191619.db2.gz UTWJRNLLQNIFTI-KPZWWZAWSA-N -1 3 362.430 0.368 10 0 FCAEHM Cn1cnc2c1c(=O)n(CCC[S@](=O)c1cccc([O-])c1)c(=O)n2C ZINC000184039268 488394834 /nfs/dbraw/zinc/39/48/34/488394834.db2.gz IUMGRGZOAUUBIN-VWLOTQADSA-N -1 3 362.411 0.337 10 0 FCAEHM COC(=O)CCCCCNC(=O)C[N-]S(=O)(=O)c1c(C)noc1C ZINC000268313619 488407376 /nfs/dbraw/zinc/40/73/76/488407376.db2.gz IQWNOQSGJBVZIB-UHFFFAOYSA-N -1 3 361.420 0.419 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCSCCCO ZINC000268451966 488419787 /nfs/dbraw/zinc/41/97/87/488419787.db2.gz FUABAZQVZFOBFC-NSHDSACASA-N -1 3 364.464 0.724 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(C(C)=O)C[C@@H]2C)ccc1F ZINC000268666160 488439872 /nfs/dbraw/zinc/43/98/72/488439872.db2.gz AGDXRHPGMAZOPO-JTQLQIEISA-N -1 3 357.407 0.427 10 0 FCAEHM CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CC(=O)[N-]C1=O ZINC000268751184 488447012 /nfs/dbraw/zinc/44/70/12/488447012.db2.gz SPBJWVFPIZLQPV-CYBMUJFWSA-N -1 3 361.398 0.607 10 0 FCAEHM O=C(Cn1cc(Cl)c(=O)[n-]c1=O)NCc1cnn(-c2ccccc2)c1 ZINC000085253711 488450850 /nfs/dbraw/zinc/45/08/50/488450850.db2.gz VMHCXUGKLFMUDC-UHFFFAOYSA-N -1 3 359.773 0.692 10 0 FCAEHM COC(=O)[C@@H](O)C[N-]S(=O)(=O)c1cc(Br)ccc1OC ZINC000231649509 488452871 /nfs/dbraw/zinc/45/28/71/488452871.db2.gz WVUGQRXEOVQJMY-QMMMGPOBSA-N -1 3 368.205 0.270 10 0 FCAEHM O=C(CNC(=O)c1cccnc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000268917362 488457017 /nfs/dbraw/zinc/45/70/17/488457017.db2.gz ODCLRSHSZJLLEN-UHFFFAOYSA-N -1 3 368.393 0.502 10 0 FCAEHM CCN1CCN(C[C@H](C)CNC(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000097094529 488491994 /nfs/dbraw/zinc/49/19/94/488491994.db2.gz OAPVOIAOHRYUQA-CQSZACIVSA-N -1 3 357.458 0.927 10 0 FCAEHM CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(-c3nccn3C)[n-]n2)C1 ZINC000269379218 488497335 /nfs/dbraw/zinc/49/73/35/488497335.db2.gz MHRYVHRFIHEJEB-NSHDSACASA-N -1 3 366.447 0.810 10 0 FCAEHM CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(-c3nccn3C)n[n-]2)C1 ZINC000269379218 488497337 /nfs/dbraw/zinc/49/73/37/488497337.db2.gz MHRYVHRFIHEJEB-NSHDSACASA-N -1 3 366.447 0.810 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)nc1=N ZINC000569980563 491207648 /nfs/dbraw/zinc/20/76/48/491207648.db2.gz GIRCJRCENUHRBS-JSGCOSHPSA-N -1 3 354.414 0.944 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)NC[C@H]2C[C@@H]2c2ccccc2)cn1C ZINC000111050430 488528107 /nfs/dbraw/zinc/52/81/07/488528107.db2.gz ZBVNQPGRKWSZQX-HUUCEWRRSA-N -1 3 362.455 0.927 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000111593632 488530004 /nfs/dbraw/zinc/53/00/04/488530004.db2.gz MCUBFRAMIBXUFY-WDEREUQCSA-N -1 3 352.188 0.973 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCc2c(Br)cccc2C1 ZINC000111591443 488530521 /nfs/dbraw/zinc/53/05/21/488530521.db2.gz YQBSOIDYMISALU-UHFFFAOYSA-N -1 3 352.188 0.886 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H](CO)c1cnn(C)c1 ZINC000272319690 488573008 /nfs/dbraw/zinc/57/30/08/488573008.db2.gz JRWKUPOOUCDPMC-GWCFXTLKSA-N -1 3 370.406 0.076 10 0 FCAEHM COc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[n-]1 ZINC000272554892 488588256 /nfs/dbraw/zinc/58/82/56/488588256.db2.gz TVAYTDDWHDPJLD-UHFFFAOYSA-N -1 3 367.387 0.087 10 0 FCAEHM COc1nc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n[n-]1 ZINC000272554892 488588258 /nfs/dbraw/zinc/58/82/58/488588258.db2.gz TVAYTDDWHDPJLD-UHFFFAOYSA-N -1 3 367.387 0.087 10 0 FCAEHM COc1n[n-]c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 ZINC000272554892 488588260 /nfs/dbraw/zinc/58/82/60/488588260.db2.gz TVAYTDDWHDPJLD-UHFFFAOYSA-N -1 3 367.387 0.087 10 0 FCAEHM COC(=O)CCNC(=O)CC[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000599476168 492178013 /nfs/dbraw/zinc/17/80/13/492178013.db2.gz KZZLKILDAYBFHU-UHFFFAOYSA-N -1 3 366.798 0.827 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000263803174 488628101 /nfs/dbraw/zinc/62/81/01/488628101.db2.gz LKJKRSOHWQNBHH-CYBMUJFWSA-N -1 3 355.398 0.832 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N(C)CCN1CCOCC1 ZINC000263894038 488634417 /nfs/dbraw/zinc/63/44/17/488634417.db2.gz VTFQAJDQFSBOJI-ZDUSSCGKSA-N -1 3 373.450 0.283 10 0 FCAEHM COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1cc(OC)ccc1[O-] ZINC000273628548 488663645 /nfs/dbraw/zinc/66/36/45/488663645.db2.gz PYKQUYNVNQCMAK-ZDUSSCGKSA-N -1 3 352.387 0.835 10 0 FCAEHM Cc1cc(CS(=O)(=O)[N-][C@H]2CCCN(Cc3ccccn3)C2=O)no1 ZINC000273639627 488664559 /nfs/dbraw/zinc/66/45/59/488664559.db2.gz XYXMSINUNNPRNO-HNNXBMFYSA-N -1 3 364.427 0.989 10 0 FCAEHM C[C@H](CCNC(=O)CC[N-]S(=O)(=O)c1ccccc1F)[S@@](C)=O ZINC000134881009 488669512 /nfs/dbraw/zinc/66/95/12/488669512.db2.gz UEJJXEMGQMZSLQ-XFNZEKPQSA-N -1 3 364.464 0.767 10 0 FCAEHM O=C(CNC(=O)NCc1ccco1)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000136983753 488679724 /nfs/dbraw/zinc/67/97/24/488679724.db2.gz KSMPKHILIZTTOD-UHFFFAOYSA-N -1 3 355.358 0.821 10 0 FCAEHM O=C(CNC(=O)NCc1ccco1)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000136983753 488679726 /nfs/dbraw/zinc/67/97/26/488679726.db2.gz KSMPKHILIZTTOD-UHFFFAOYSA-N -1 3 355.358 0.821 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(N2C(=O)CNC2=O)c1)C1CC1 ZINC000563114977 491217041 /nfs/dbraw/zinc/21/70/41/491217041.db2.gz SHJZECWDMJXYFL-ZDUSSCGKSA-N -1 3 353.400 0.910 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC(C(=O)N(C)C)CC1 ZINC000143083745 488690792 /nfs/dbraw/zinc/69/07/92/488690792.db2.gz WMSAJDMVSGMGHG-NSHDSACASA-N -1 3 373.500 0.742 10 0 FCAEHM CCCS(=O)(=O)Nc1ccc(NC(=O)CN2CC(=O)[N-]C2=O)cc1 ZINC000264624643 488692218 /nfs/dbraw/zinc/69/22/18/488692218.db2.gz MEUGJPCFOUFFGO-UHFFFAOYSA-N -1 3 354.388 0.329 10 0 FCAEHM CC[C@@H]1CCCCCN1S(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000151551363 488706795 /nfs/dbraw/zinc/70/67/95/488706795.db2.gz YPJKSEFVSPMXSI-LLVKDONJSA-N -1 3 366.443 0.965 10 0 FCAEHM COc1ccc(-n2cc(CNC(=O)Cc3c(C)nc(C)[n-]c3=O)nn2)cc1 ZINC000151831242 488710240 /nfs/dbraw/zinc/71/02/40/488710240.db2.gz OTHUFYLCFXZDKU-UHFFFAOYSA-N -1 3 368.397 0.835 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NCc1nn(-c2ccccc2)c2c1CCC2 ZINC000264844304 488718564 /nfs/dbraw/zinc/71/85/64/488718564.db2.gz LUQPAYBANCJKFW-UHFFFAOYSA-N -1 3 353.382 0.529 10 0 FCAEHM COC(=O)[C@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1ccc(OC)c(Cl)c1 ZINC000274651229 488725240 /nfs/dbraw/zinc/72/52/40/488725240.db2.gz WUPUCQOGWJTOAO-JOYOIKCWSA-N -1 3 369.761 0.277 10 0 FCAEHM CCn1nccc1S(=O)(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000274655844 488725649 /nfs/dbraw/zinc/72/56/49/488725649.db2.gz OGBABPYSNDRVQJ-UHFFFAOYSA-N -1 3 364.427 0.755 10 0 FCAEHM C[C@@H](Cn1cncn1)NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000153858028 488735697 /nfs/dbraw/zinc/73/56/97/488735697.db2.gz CQOKBBLGDXTGIY-QMMMGPOBSA-N -1 3 363.852 0.476 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCC(CN2CCc3ccccc32)CC1 ZINC000155266715 488753174 /nfs/dbraw/zinc/75/31/74/488753174.db2.gz WWIFNHXZAWVYSN-HNNXBMFYSA-N -1 3 356.426 0.886 10 0 FCAEHM CO[C@H](C)c1noc(CN(C)C(=O)C[N-]S(=O)(=O)c2cccs2)n1 ZINC000267073163 488758902 /nfs/dbraw/zinc/75/89/02/488758902.db2.gz GJJZOEOMUCRMBB-SECBINFHSA-N -1 3 374.444 0.775 10 0 FCAEHM COC(=O)[C@H]1CCCN(C(=O)c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)C1 ZINC000267370867 488781673 /nfs/dbraw/zinc/78/16/73/488781673.db2.gz XWFUNSSQTYYHGG-KPZWWZAWSA-N -1 3 359.382 0.766 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]CCCN2CCOC2=O)cc1F ZINC000277976762 488794909 /nfs/dbraw/zinc/79/49/09/488794909.db2.gz VMZYUTQLSZTIRS-UHFFFAOYSA-N -1 3 360.363 0.733 10 0 FCAEHM CCCN(C)S(=O)(=O)[N-]c1cnn(Cc2nnc3n2CCCC3)c1 ZINC000278085872 488799721 /nfs/dbraw/zinc/79/97/21/488799721.db2.gz MVLGRQFMEGOQGP-UHFFFAOYSA-N -1 3 353.452 0.858 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000171663042 488825372 /nfs/dbraw/zinc/82/53/72/488825372.db2.gz LHSVKSKWCLIGQR-VXGBXAGGSA-N -1 3 369.472 0.870 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000171663040 488825580 /nfs/dbraw/zinc/82/55/80/488825580.db2.gz LHSVKSKWCLIGQR-NWDGAFQWSA-N -1 3 369.472 0.870 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172761866 488837922 /nfs/dbraw/zinc/83/79/22/488837922.db2.gz HZIOASDJUVAGFI-CQSZACIVSA-N -1 3 372.425 0.013 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)N2CCS(=O)(=O)C(C)(C)C2)c([O-])c1 ZINC000268101669 488839647 /nfs/dbraw/zinc/83/96/47/488839647.db2.gz BFJNJGWTXBGCCM-UHFFFAOYSA-N -1 3 368.455 0.856 10 0 FCAEHM COC[C@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)c1ccccc1 ZINC000268125096 488840994 /nfs/dbraw/zinc/84/09/94/488840994.db2.gz OEWJIWVYKCOSPN-ZDUSSCGKSA-N -1 3 352.416 0.202 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)N1CCNC[C@@H]1C(F)F ZINC000563162399 491224479 /nfs/dbraw/zinc/22/44/79/491224479.db2.gz DPPQOTXGDNRUSY-CYBMUJFWSA-N -1 3 364.352 0.323 10 0 FCAEHM CN(C)CCNC(=O)Cn1cc(NC(=O)c2c([O-])cc(F)cc2F)cn1 ZINC000176867774 488858869 /nfs/dbraw/zinc/85/88/69/488858869.db2.gz LTRNQYVIZDJQQI-UHFFFAOYSA-N -1 3 367.356 0.797 10 0 FCAEHM CCN(CC)CC(=O)Nc1cccc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)c1 ZINC000288359711 488974257 /nfs/dbraw/zinc/97/42/57/488974257.db2.gz UFOMKAZJINWUOO-ZDUSSCGKSA-N -1 3 361.402 0.504 10 0 FCAEHM C[C@]1(c2ccc(C(=O)N3CC(F)(F)C[C@H]3CO)cc2)NC(=O)[N-]C1=O ZINC000364578480 488974593 /nfs/dbraw/zinc/97/45/93/488974593.db2.gz LGQAFNWUUBROQQ-XHDPSFHLSA-N -1 3 353.325 0.583 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CC[C@](C)(C(N)=O)C1 ZINC000279958071 488977191 /nfs/dbraw/zinc/97/71/91/488977191.db2.gz GZZMJRDUZXPRQM-BONVTDFDSA-N -1 3 357.407 0.216 10 0 FCAEHM COC(=O)C(C)(C)CS(=O)(=O)[N-][C@@H]1CCN(c2ccccc2)C1=O ZINC000288442805 488981458 /nfs/dbraw/zinc/98/14/58/488981458.db2.gz URCHHWFQLRZUDX-CYBMUJFWSA-N -1 3 354.428 0.911 10 0 FCAEHM C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCC(c2nc(=O)[n-][nH]2)CC1 ZINC000288576680 488993642 /nfs/dbraw/zinc/99/36/42/488993642.db2.gz BDBBJTAXHPBKOA-NSHDSACASA-N -1 3 370.413 0.651 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCCC[C@H]1C(=O)OCc1ccccc1 ZINC000280597247 489020355 /nfs/dbraw/zinc/02/03/55/489020355.db2.gz OESOHOKNTPFSQA-AWEZNQCLSA-N -1 3 359.382 0.663 10 0 FCAEHM COC(=O)CCCO[N-]C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000288840235 489021040 /nfs/dbraw/zinc/02/10/40/489021040.db2.gz PMDGMAHFHCPIAR-GFCCVEGCSA-N -1 3 363.370 0.898 10 0 FCAEHM CC(C)n1ncnc1CNC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000280682810 489024583 /nfs/dbraw/zinc/02/45/83/489024583.db2.gz CSXRRLLAGXWXBB-QGZVFWFLSA-N -1 3 356.386 0.844 10 0 FCAEHM CC(C)n1ncnc1CNC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000280682805 489024748 /nfs/dbraw/zinc/02/47/48/489024748.db2.gz CSXRRLLAGXWXBB-KRWDZBQOSA-N -1 3 356.386 0.844 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-][C@@H]2CS(=O)(=O)c3ccccc32)C[C@H](C)O1 ZINC000329754829 489033054 /nfs/dbraw/zinc/03/30/54/489033054.db2.gz LBZIHHZNNJWBHO-NTZNESFSSA-N -1 3 360.457 0.459 10 0 FCAEHM Cc1cc(N2CCC[C@H]([N-]S(=O)(=O)[C@@H]3CCO[C@@H](C)C3)C2=O)n(C)n1 ZINC000288976355 489033304 /nfs/dbraw/zinc/03/33/04/489033304.db2.gz AZYFMEZSMXBPEK-MJBXVCDLSA-N -1 3 370.475 0.711 10 0 FCAEHM COc1cccc(CNC(=O)[C@H](C)N2CCC(c3nc(=O)[n-][nH]3)CC2)c1 ZINC000280891544 489038830 /nfs/dbraw/zinc/03/88/30/489038830.db2.gz DDAFCWXXFNIBGM-LBPRGKRZSA-N -1 3 359.430 0.991 10 0 FCAEHM Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000280958090 489043467 /nfs/dbraw/zinc/04/34/67/489043467.db2.gz QVCTZZXMSRYZMC-GOSISDBHSA-N -1 3 368.397 0.404 10 0 FCAEHM Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000280958090 489043470 /nfs/dbraw/zinc/04/34/70/489043470.db2.gz QVCTZZXMSRYZMC-GOSISDBHSA-N -1 3 368.397 0.404 10 0 FCAEHM COc1ccccc1CNC(=O)[C@H](C)N1CCC(c2nc(=O)[n-][nH]2)CC1 ZINC000280974112 489044634 /nfs/dbraw/zinc/04/46/34/489044634.db2.gz KSQPJMCPAMFTHT-LBPRGKRZSA-N -1 3 359.430 0.991 10 0 FCAEHM O=C(CN1CCC[C@@H](c2nc(=O)[n-][nH]2)C1)NC(=O)NCc1ccccc1 ZINC000289167270 489046157 /nfs/dbraw/zinc/04/61/57/489046157.db2.gz FAGCIVMMLHVJON-CYBMUJFWSA-N -1 3 358.402 0.303 10 0 FCAEHM Cc1nc2sccn2c(=O)c1CCN1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000289372227 489062424 /nfs/dbraw/zinc/06/24/24/489062424.db2.gz IIQZRQSMPQDRQU-NSHDSACASA-N -1 3 360.443 0.898 10 0 FCAEHM Cc1nc2sccn2c(=O)c1CCN1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000289372225 489062617 /nfs/dbraw/zinc/06/26/17/489062617.db2.gz IIQZRQSMPQDRQU-LLVKDONJSA-N -1 3 360.443 0.898 10 0 FCAEHM CCOCc1nc([C@@H](C)[N-]S(=O)(=O)c2c[nH]c(C(=O)OC)c2)no1 ZINC000289417805 489066235 /nfs/dbraw/zinc/06/62/35/489066235.db2.gz BPEJFXYSOLQQGS-MRVPVSSYSA-N -1 3 358.376 0.760 10 0 FCAEHM C[C@@H](Cn1cncn1)NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281315407 489066661 /nfs/dbraw/zinc/06/66/61/489066661.db2.gz UWCGTVBEEHMHHG-JTQLQIEISA-N -1 3 362.356 0.767 10 0 FCAEHM C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000289428859 489066719 /nfs/dbraw/zinc/06/67/19/489066719.db2.gz NKBWWNVMBKDCCP-RYUDHWBXSA-N -1 3 370.413 0.651 10 0 FCAEHM C[C@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000289428852 489066788 /nfs/dbraw/zinc/06/67/88/489066788.db2.gz NKBWWNVMBKDCCP-NEPJUHHUSA-N -1 3 370.413 0.651 10 0 FCAEHM CCOCc1nc([C@H](C)[N-]S(=O)(=O)c2ccc(C(N)=O)cc2)no1 ZINC000289627146 489082593 /nfs/dbraw/zinc/08/25/93/489082593.db2.gz RSOOPXJVUJZBQR-VIFPVBQESA-N -1 3 354.388 0.745 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C[C@@H](CO)[C@@H]1CCOC1 ZINC000289655520 489084223 /nfs/dbraw/zinc/08/42/23/489084223.db2.gz BFRGWOMMBTVDTB-NEPJUHHUSA-N -1 3 361.416 0.606 10 0 FCAEHM Cc1nn(C)c(C)c1[C@H]1[C@H]([N-]S(=O)(=O)C[C@@H]2CCCO2)CC(=O)N1C ZINC000330293859 489088714 /nfs/dbraw/zinc/08/87/14/489088714.db2.gz IDYNJOBJSQNHRV-WOSRLPQWSA-N -1 3 370.475 0.407 10 0 FCAEHM C[C@H]1CCCN(S(=O)(=O)[N-]c2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000365573742 489089583 /nfs/dbraw/zinc/08/95/83/489089583.db2.gz DHBCTAICUAMBGP-ZDUSSCGKSA-N -1 3 371.463 0.131 10 0 FCAEHM Cc1nn(C)c(C)c1[C@H]1[C@H]([N-]S(=O)(=O)[C@@H]2CCOC2)CC(=O)N1C ZINC000330311966 489090296 /nfs/dbraw/zinc/09/02/96/489090296.db2.gz WAIFMGMICGHMSF-LALPHHSUSA-N -1 3 356.448 0.017 10 0 FCAEHM Cc1cn2c(n1)CN(C(=O)C[N-]S(=O)(=O)c1ccccc1F)CC2 ZINC000365640548 489095195 /nfs/dbraw/zinc/09/51/95/489095195.db2.gz BOHNKGOJKMLFMT-UHFFFAOYSA-N -1 3 352.391 0.651 10 0 FCAEHM CCN(CC)C(=O)N1CCN(C(=O)c2cc(=O)[n-]c(N(C)C)n2)CC1 ZINC000330436874 489101791 /nfs/dbraw/zinc/10/17/91/489101791.db2.gz MRUFWIXFTHHGSU-UHFFFAOYSA-N -1 3 350.423 0.468 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCC[C@@H]1c1cc[nH]n1 ZINC000290323118 489131658 /nfs/dbraw/zinc/13/16/58/489131658.db2.gz BVICXTTVRRTDBD-GFCCVEGCSA-N -1 3 353.404 0.657 10 0 FCAEHM CCN(CC)C(=O)[C@@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000330677585 489132298 /nfs/dbraw/zinc/13/22/98/489132298.db2.gz LFBKRLZKKRBJPO-LBPRGKRZSA-N -1 3 373.500 0.886 10 0 FCAEHM O=C(CN1CCC[C@]2(C1)NC(=O)[N-]C2=O)Nc1ccccc1OC(F)F ZINC000366105946 489145242 /nfs/dbraw/zinc/14/52/42/489145242.db2.gz BMTKWBVDPATLKQ-MRXNPFEDSA-N -1 3 368.340 0.901 10 0 FCAEHM O=C(c1cnn(-c2ccc(F)cc2)n1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000366125444 489148721 /nfs/dbraw/zinc/14/87/21/489148721.db2.gz CXMSGULLIMWWMX-MRXNPFEDSA-N -1 3 358.333 0.221 10 0 FCAEHM O=C(C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O)c1cnn(-c2ccccc2)c1 ZINC000366143521 489150043 /nfs/dbraw/zinc/15/00/43/489150043.db2.gz KAFHNUATFMVEAY-GOSISDBHSA-N -1 3 367.365 0.256 10 0 FCAEHM C[C@H]1CN(C(=O)Nc2ccc(C[C@H]3NC(=O)[N-]C3=O)cc2)CC(=O)N1C ZINC000282281259 489151362 /nfs/dbraw/zinc/15/13/62/489151362.db2.gz QRQJNVLSDKYVMY-GXFFZTMASA-N -1 3 359.386 0.132 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]Cc1cnc(N(C)C)n1C ZINC000290632364 489154369 /nfs/dbraw/zinc/15/43/69/489154369.db2.gz CTWHADHOIJWYST-UHFFFAOYSA-N -1 3 370.431 0.961 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@@H]1CC(=O)N(C(C)C)C1=O ZINC000290660962 489156591 /nfs/dbraw/zinc/15/65/91/489156591.db2.gz FSJLBCSQNQRIDW-SNVBAGLBSA-N -1 3 372.399 0.497 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)C(=O)NCCF)c(Cl)c1 ZINC000282379116 489159261 /nfs/dbraw/zinc/15/92/61/489159261.db2.gz QXCBJGXJNJEGCK-MRVPVSSYSA-N -1 3 366.798 0.879 10 0 FCAEHM CCOC(=O)[C@@H]1CC[C@H](NC(=O)C[N-]S(=O)(=O)c2c(C)noc2C)C1 ZINC000290790250 489165556 /nfs/dbraw/zinc/16/55/56/489165556.db2.gz CYRNRHCSEPVMGK-NEPJUHHUSA-N -1 3 373.431 0.418 10 0 FCAEHM CN1CCN(CC[N-]S(=O)(=O)c2cnccc2C(F)(F)F)CC1 ZINC000331020146 489166477 /nfs/dbraw/zinc/16/64/77/489166477.db2.gz OLMIPODZUZZEBR-UHFFFAOYSA-N -1 3 352.382 0.626 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)NCCc2cccnc2OC)cn1 ZINC000290817840 489167305 /nfs/dbraw/zinc/16/73/05/489167305.db2.gz VZCRXDOYFZXZHG-UHFFFAOYSA-N -1 3 350.400 0.366 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@H]1CCN(C(C)C)C1=O ZINC000290863704 489170137 /nfs/dbraw/zinc/17/01/37/489170137.db2.gz XMERGQQXCUKGKZ-NSHDSACASA-N -1 3 358.416 0.971 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2C(=O)NCC[C@@H]2C)c(Cl)c1 ZINC000282585491 489176687 /nfs/dbraw/zinc/17/66/87/489176687.db2.gz PRSWERDXTUMWPN-QPUJVOFHSA-N -1 3 360.819 0.930 10 0 FCAEHM CC[C@H]1CN(C(=O)C[N-]S(=O)(=O)c2cccs2)C[C@@]2(CCOC2)O1 ZINC000366540157 489192606 /nfs/dbraw/zinc/19/26/06/489192606.db2.gz NTTKUHLOMUKIQA-SWLSCSKDSA-N -1 3 374.484 0.823 10 0 FCAEHM CC(C)N1C(=O)C[C@H]([N-]S(=O)(=O)c2cnccc2C(F)(F)F)C1=O ZINC000331277182 489192934 /nfs/dbraw/zinc/19/29/34/489192934.db2.gz OOPIJCYTXUMZFT-VIFPVBQESA-N -1 3 365.333 0.915 10 0 FCAEHM CC[C@H]1[C@H](CO)CCN1C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000331318191 489197443 /nfs/dbraw/zinc/19/74/43/489197443.db2.gz JWSDBJZGABNFJO-WPRPVWTQSA-N -1 3 360.208 0.331 10 0 FCAEHM O=C(NC1CC1)c1nn[n-]c1NC(=O)c1ccc(C(=O)NC2CC2)cc1 ZINC000297647185 489218402 /nfs/dbraw/zinc/21/84/02/489218402.db2.gz DTXXFBRUBFRKPK-UHFFFAOYSA-N -1 3 354.370 0.841 10 0 FCAEHM O=C(NC1CC1)c1[n-]nnc1NC(=O)c1ccc(C(=O)NC2CC2)cc1 ZINC000297647185 489218405 /nfs/dbraw/zinc/21/84/05/489218405.db2.gz DTXXFBRUBFRKPK-UHFFFAOYSA-N -1 3 354.370 0.841 10 0 FCAEHM O=C(NC1CC1)c1n[n-]nc1NC(=O)c1ccc(C(=O)NC2CC2)cc1 ZINC000297647185 489218407 /nfs/dbraw/zinc/21/84/07/489218407.db2.gz DTXXFBRUBFRKPK-UHFFFAOYSA-N -1 3 354.370 0.841 10 0 FCAEHM O=C(CN1C(=O)CSc2ccccc21)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000297651384 489219122 /nfs/dbraw/zinc/21/91/22/489219122.db2.gz FEGHHLHDYISYEC-UHFFFAOYSA-N -1 3 372.410 0.774 10 0 FCAEHM O=C(CN1C(=O)CSc2ccccc21)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000297651384 489219124 /nfs/dbraw/zinc/21/91/24/489219124.db2.gz FEGHHLHDYISYEC-UHFFFAOYSA-N -1 3 372.410 0.774 10 0 FCAEHM O=C(CN1C(=O)CSc2ccccc21)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000297651384 489219128 /nfs/dbraw/zinc/21/91/28/489219128.db2.gz FEGHHLHDYISYEC-UHFFFAOYSA-N -1 3 372.410 0.774 10 0 FCAEHM C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1[n-]nnc1C(=O)NC1CC1)CS2 ZINC000297795626 489241604 /nfs/dbraw/zinc/24/16/04/489241604.db2.gz RVGOUUPKNVRUMV-RMLUDKJBSA-N -1 3 350.404 0.089 10 0 FCAEHM C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1nn[n-]c1C(=O)NC1CC1)CS2 ZINC000297795626 489241607 /nfs/dbraw/zinc/24/16/07/489241607.db2.gz RVGOUUPKNVRUMV-RMLUDKJBSA-N -1 3 350.404 0.089 10 0 FCAEHM C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1n[n-]nc1C(=O)NC1CC1)CS2 ZINC000297795626 489241611 /nfs/dbraw/zinc/24/16/11/489241611.db2.gz RVGOUUPKNVRUMV-RMLUDKJBSA-N -1 3 350.404 0.089 10 0 FCAEHM COC(=O)COc1cccc(C(=O)Nc2[n-]nnc2C(=O)NC2CC2)c1 ZINC000297840111 489249859 /nfs/dbraw/zinc/24/98/59/489249859.db2.gz WNSHAXHOYLLGLV-UHFFFAOYSA-N -1 3 359.342 0.501 10 0 FCAEHM COC(=O)COc1cccc(C(=O)Nc2nn[n-]c2C(=O)NC2CC2)c1 ZINC000297840111 489249861 /nfs/dbraw/zinc/24/98/61/489249861.db2.gz WNSHAXHOYLLGLV-UHFFFAOYSA-N -1 3 359.342 0.501 10 0 FCAEHM COC(=O)COc1cccc(C(=O)Nc2n[n-]nc2C(=O)NC2CC2)c1 ZINC000297840111 489249864 /nfs/dbraw/zinc/24/98/64/489249864.db2.gz WNSHAXHOYLLGLV-UHFFFAOYSA-N -1 3 359.342 0.501 10 0 FCAEHM O=C(CCN1C(=O)c2ccccc2C1=O)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000297860321 489253503 /nfs/dbraw/zinc/25/35/03/489253503.db2.gz YMMSIIGPAUCJAP-UHFFFAOYSA-N -1 3 368.353 0.322 10 0 FCAEHM O=C(CCN1C(=O)c2ccccc2C1=O)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000297860321 489253506 /nfs/dbraw/zinc/25/35/06/489253506.db2.gz YMMSIIGPAUCJAP-UHFFFAOYSA-N -1 3 368.353 0.322 10 0 FCAEHM O=C(CCN1C(=O)c2ccccc2C1=O)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000297860321 489253507 /nfs/dbraw/zinc/25/35/07/489253507.db2.gz YMMSIIGPAUCJAP-UHFFFAOYSA-N -1 3 368.353 0.322 10 0 FCAEHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H](CO)c1ccnn1C ZINC000563435344 491245494 /nfs/dbraw/zinc/24/54/94/491245494.db2.gz JOOTZFQTAISRLS-VIFPVBQESA-N -1 3 359.429 0.589 10 0 FCAEHM Cc1n[nH]c(C)c1[N-]S(=O)(=O)CCCS(=O)(=O)N1CCCC1 ZINC000349577082 489320485 /nfs/dbraw/zinc/32/04/85/489320485.db2.gz SWVUAEZJCNCHGC-UHFFFAOYSA-N -1 3 350.466 0.584 10 0 FCAEHM CCn1c([N-]S(=O)(=O)CCCCS(N)(=O)=O)nc2cccnc21 ZINC000349602558 489324979 /nfs/dbraw/zinc/32/49/79/489324979.db2.gz BRHQXSLWPMRSGL-UHFFFAOYSA-N -1 3 361.449 0.262 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CCO[C@@]2(CCCOC2)C1 ZINC000285846726 489325590 /nfs/dbraw/zinc/32/55/90/489325590.db2.gz HKCYQIPESVPBGQ-HNNXBMFYSA-N -1 3 374.484 0.825 10 0 FCAEHM C[C@@H]1[C@@H](C)CN1S(=O)(=O)CCCCS(=O)(=O)[N-]c1ccnnc1 ZINC000349606567 489326694 /nfs/dbraw/zinc/32/66/94/489326694.db2.gz JTQZGGSMXDJOBK-NWDGAFQWSA-N -1 3 362.477 0.669 10 0 FCAEHM O=c1[n-]c(=O)n(Cc2nc(C[C@H]3CCCO3)no2)cc1Br ZINC000349830192 489332264 /nfs/dbraw/zinc/33/22/64/489332264.db2.gz VMAAZSTUIRGWSO-SSDOTTSWSA-N -1 3 357.164 0.864 10 0 FCAEHM COCCn1cc2c(n1)[C@H](NC(=O)c1cc(=O)[n-]c(N(C)C)n1)CCC2 ZINC000555287530 491244453 /nfs/dbraw/zinc/24/44/53/491244453.db2.gz LUBDXZRJKDFVKJ-GFCCVEGCSA-N -1 3 360.418 0.899 10 0 FCAEHM COc1nc(NC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)n[n-]1 ZINC000370366307 489350250 /nfs/dbraw/zinc/35/02/50/489350250.db2.gz JWTWWTTXYSYCQE-CYBMUJFWSA-N -1 3 370.369 0.228 10 0 FCAEHM COc1nnc(NC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)[n-]1 ZINC000370366307 489350254 /nfs/dbraw/zinc/35/02/54/489350254.db2.gz JWTWWTTXYSYCQE-CYBMUJFWSA-N -1 3 370.369 0.228 10 0 FCAEHM COc1n[n-]c(NC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)n1 ZINC000370366307 489350260 /nfs/dbraw/zinc/35/02/60/489350260.db2.gz JWTWWTTXYSYCQE-CYBMUJFWSA-N -1 3 370.369 0.228 10 0 FCAEHM O=C(CNC(=O)c1cccc([O-])c1)N1CCN(CC(F)(F)F)C(=O)C1 ZINC000286282166 489376110 /nfs/dbraw/zinc/37/61/10/489376110.db2.gz COQQEQNSGBESDM-UHFFFAOYSA-N -1 3 359.304 0.355 10 0 FCAEHM COCCOCCS(=O)(=O)[N-][C@@H]1CCCN(c2ccccc2)C1=O ZINC000362135824 489376666 /nfs/dbraw/zinc/37/66/66/489376666.db2.gz JWVQYIOBBULMDE-OAHLLOKOSA-N -1 3 356.444 0.764 10 0 FCAEHM Cc1nn2cc(Br)cnc2c1S(=O)(=O)[N-]CCN1CCC1 ZINC000632134485 492937166 /nfs/dbraw/zinc/93/71/66/492937166.db2.gz OUYYRYPRWDCMFR-UHFFFAOYSA-N -1 3 374.264 0.784 10 0 FCAEHM COC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H](CF)C(=O)OC)s1 ZINC000286490443 489396591 /nfs/dbraw/zinc/39/65/91/489396591.db2.gz AABYCTVIXRVCHA-VIFPVBQESA-N -1 3 368.408 0.436 10 0 FCAEHM C[C@@H](CN1CCCC1=O)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000299044565 489399213 /nfs/dbraw/zinc/39/92/13/489399213.db2.gz YNIIWHRJQUFWEC-RYUDHWBXSA-N -1 3 371.434 0.620 10 0 FCAEHM CCCN(CC(=O)N(C)C)C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000299062995 489401408 /nfs/dbraw/zinc/40/14/08/489401408.db2.gz JFLYYMWJTNMZAD-LBPRGKRZSA-N -1 3 373.450 0.819 10 0 FCAEHM COC(=O)c1ccc(N2CCC[C@@H]2C[C@]2(C)NC(=O)[N-]C2=O)nc1OC ZINC000286534369 489401574 /nfs/dbraw/zinc/40/15/74/489401574.db2.gz YTPVTLMFIADAFN-QGHHPUGFSA-N -1 3 362.386 0.834 10 0 FCAEHM COc1cccc(C(=O)NCC(=O)N2CCC[C@H]2c2nc(=N)n(C)[n-]2)c1 ZINC000555541699 491253529 /nfs/dbraw/zinc/25/35/29/491253529.db2.gz SGTYMKWPQLZJLP-ZDUSSCGKSA-N -1 3 358.402 0.330 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)c(C)o1 ZINC000371064577 489447311 /nfs/dbraw/zinc/44/73/11/489447311.db2.gz MFJVROZATCRHCE-KWCYVHTRSA-N -1 3 372.443 0.905 10 0 FCAEHM Cn1cc([C@@H](O)CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cn1 ZINC000363281707 489447873 /nfs/dbraw/zinc/44/78/73/489447873.db2.gz CEHKBBKUGSYRMI-ZBFHGGJFSA-N -1 3 358.398 0.580 10 0 FCAEHM CCC(CC)(NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F)C(N)=O ZINC000299645278 489466516 /nfs/dbraw/zinc/46/65/16/489466516.db2.gz YTVYDNSYFVFBGV-JTQLQIEISA-N -1 3 359.423 0.653 10 0 FCAEHM NC(=O)CN1CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000363486103 489470646 /nfs/dbraw/zinc/47/06/46/489470646.db2.gz SQWGVFYOGPZODP-OAHLLOKOSA-N -1 3 374.441 0.016 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)N[C@H]1CCc2nc[nH]c2C1 ZINC000371309238 489476067 /nfs/dbraw/zinc/47/60/67/489476067.db2.gz WQTDDCFEUDQMJH-JTQLQIEISA-N -1 3 354.457 0.813 10 0 FCAEHM O=C(NCCCN1C(=O)CCC1=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000371577379 489488946 /nfs/dbraw/zinc/48/89/46/489488946.db2.gz UBIAUVSQSRPZAD-AWEZNQCLSA-N -1 3 373.409 0.652 10 0 FCAEHM CCOc1ccncc1S(=O)(=O)[N-][C@H]1CCOC[C@H]1OCCOC ZINC000451431913 489504012 /nfs/dbraw/zinc/50/40/12/489504012.db2.gz ZBSPAUOGOQMIIQ-GXTWGEPZSA-N -1 3 360.432 0.579 10 0 FCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cnccc1OCC ZINC000451470534 489506192 /nfs/dbraw/zinc/50/61/92/489506192.db2.gz GPLRSBVZWHCASZ-GHMZBOCLSA-N -1 3 373.431 0.215 10 0 FCAEHM COC[C@](C)(O)CC[N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC ZINC000451660105 489514428 /nfs/dbraw/zinc/51/44/28/489514428.db2.gz PGPSQNBOOMUORN-CYBMUJFWSA-N -1 3 367.445 0.609 10 0 FCAEHM COC[C@](C)(O)CC[N-]S(=O)(=O)c1c(C)csc1C(=O)OC ZINC000451658519 489514601 /nfs/dbraw/zinc/51/46/01/489514601.db2.gz YACTYZBAFMQPTO-CYBMUJFWSA-N -1 3 351.446 0.909 10 0 FCAEHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C[C@@H]1CCCCN1CCO ZINC000451671237 489516905 /nfs/dbraw/zinc/51/69/05/489516905.db2.gz PPFTUDQYKMFSCC-ZDUSSCGKSA-N -1 3 374.434 0.737 10 0 FCAEHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCN(C(=O)CC)C1 ZINC000425798082 489530951 /nfs/dbraw/zinc/53/09/51/489530951.db2.gz GGMWETPTZGQGGV-UHFFFAOYSA-N -1 3 353.400 0.902 10 0 FCAEHM CCc1ncc(C[N-]S(=O)(=O)c2cccc(S(=O)(=O)NC)c2)o1 ZINC000451956300 489534226 /nfs/dbraw/zinc/53/42/26/489534226.db2.gz HCKBJDOJZXBCST-UHFFFAOYSA-N -1 3 359.429 0.624 10 0 FCAEHM CN1CN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1=O ZINC000570735580 491261419 /nfs/dbraw/zinc/26/14/19/491261419.db2.gz RFGYHOLKMIIYBO-UHFFFAOYSA-N -1 3 366.226 0.530 10 0 FCAEHM CNS(=O)(=O)[C@@H]1CCN(C(=O)c2c[n-]c3cc(OC)ccc3c2=O)C1 ZINC000372157944 489553571 /nfs/dbraw/zinc/55/35/71/489553571.db2.gz RLXGYHSOWSXDFS-LLVKDONJSA-N -1 3 365.411 0.300 10 0 FCAEHM CN(C(=O)CN1CC(=O)[N-]C1=O)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000372162565 489554740 /nfs/dbraw/zinc/55/47/40/489554740.db2.gz KEOOATKZHHQLIC-SNVBAGLBSA-N -1 3 371.802 0.179 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000372162709 489554788 /nfs/dbraw/zinc/55/47/88/489554788.db2.gz LWWAJURHNHDKFR-ONXXMXGDSA-N -1 3 373.500 0.829 10 0 FCAEHM C[C@@]1(c2cccc(C(=O)NCC(=O)NC3CCCCC3)c2)NC(=O)[N-]C1=O ZINC000426162266 489557356 /nfs/dbraw/zinc/55/73/56/489557356.db2.gz QQCPQYSPYSDVPZ-IBGZPJMESA-N -1 3 372.425 0.920 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000372255969 489563874 /nfs/dbraw/zinc/56/38/74/489563874.db2.gz PMSAUHCTSNFPNL-ZJUUUORDSA-N -1 3 368.340 0.581 10 0 FCAEHM O=C(c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)N1C[C@@H](O)C2(CC2)C1 ZINC000372361353 489575513 /nfs/dbraw/zinc/57/55/13/489575513.db2.gz YXVQPCWOTMQMKZ-CQSZACIVSA-N -1 3 354.403 0.863 10 0 FCAEHM COC(=O)CC[C@@H](CC1CCCCC1)NC(=O)CN1CC(=O)[N-]C1=O ZINC000416272108 489576702 /nfs/dbraw/zinc/57/67/02/489576702.db2.gz UTKMSBYIZOJLLD-ZDUSSCGKSA-N -1 3 353.419 0.947 10 0 FCAEHM C[C@@H]1CN(C(=O)CCn2[n-]c(=O)c3ccccc3c2=O)[C@H](C)CN1CCO ZINC000416285879 489577803 /nfs/dbraw/zinc/57/78/03/489577803.db2.gz AHYAIGXSKQJQKY-ZIAGYGMSSA-N -1 3 374.441 0.406 10 0 FCAEHM COC(=O)C[C@H]([N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C)C(=O)OC ZINC000416367380 489585073 /nfs/dbraw/zinc/58/50/73/489585073.db2.gz DFYHHZCLMAOGOI-UWVGGRQHSA-N -1 3 359.404 0.163 10 0 FCAEHM O=S(=O)([N-]C[C@@H](O)Cn1ccnn1)c1ccc(Cl)cc1Cl ZINC000416551049 489608831 /nfs/dbraw/zinc/60/88/31/489608831.db2.gz RQTAHCYVVXNGDU-SECBINFHSA-N -1 3 351.215 0.924 10 0 FCAEHM O=S(=O)([N-]C[C@@H](O)Cn1ccnn1)c1ccc(Br)s1 ZINC000416569864 489610878 /nfs/dbraw/zinc/61/08/78/489610878.db2.gz YWUUPKGCOUVRJQ-SSDOTTSWSA-N -1 3 367.250 0.442 10 0 FCAEHM CCOc1ccncc1S(=O)(=O)[N-]CCC(C)(C)S(C)(=O)=O ZINC000416596513 489615946 /nfs/dbraw/zinc/61/59/46/489615946.db2.gz FSMDNVXEIAPAFL-UHFFFAOYSA-N -1 3 350.462 0.972 10 0 FCAEHM CCOC(=O)C[C@H]1C[C@H](OC)CN1C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000372799344 489637802 /nfs/dbraw/zinc/63/78/02/489637802.db2.gz HSPAXOVRIVMJTA-NEPJUHHUSA-N -1 3 360.366 0.753 10 0 FCAEHM C/C=C\C[C@@H]([N-]S(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)OCC ZINC000428090966 489637859 /nfs/dbraw/zinc/63/78/59/489637859.db2.gz YGMYFINVPOXQAW-KTLBGCOUSA-N -1 3 353.462 0.381 10 0 FCAEHM CNC(=O)[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F)C(C)C ZINC000428136265 489638911 /nfs/dbraw/zinc/63/89/11/489638911.db2.gz TVROEGASEOEQMI-GWCFXTLKSA-N -1 3 359.423 0.379 10 0 FCAEHM CCOC(=O)c1cnc([N-]C(=O)Nc2ccn(CC(=O)OC)n2)n1C ZINC000417142983 489643392 /nfs/dbraw/zinc/64/33/92/489643392.db2.gz SWFOPVAQQBQGRK-UHFFFAOYSA-N -1 3 350.335 0.610 10 0 FCAEHM O=S(=O)(CCCN1CCOCC1)[N-][C@@H](c1nc[nH]n1)c1ccccc1 ZINC000372878521 489647030 /nfs/dbraw/zinc/64/70/30/489647030.db2.gz NXICYPUAFKSGCS-OAHLLOKOSA-N -1 3 365.459 0.536 10 0 FCAEHM CCC1(CC)CN(C(=O)CNC(=O)c2cccc([O-])c2)CCS1(=O)=O ZINC000428698761 489661340 /nfs/dbraw/zinc/66/13/40/489661340.db2.gz GANXOCVGZWVJRY-UHFFFAOYSA-N -1 3 368.455 0.938 10 0 FCAEHM COc1ccc2c(c1)[n-]cc(C(=O)NC[C@H]1CCCS1(=O)=O)c2=O ZINC000489130607 489696370 /nfs/dbraw/zinc/69/63/70/489696370.db2.gz CBUKMINSBFDFRO-LLVKDONJSA-N -1 3 350.396 0.844 10 0 FCAEHM Cn1cc(C[C@H](O)C(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)cn1 ZINC000469274781 489699745 /nfs/dbraw/zinc/69/97/45/489699745.db2.gz WJFAWAXZPCZKMQ-INIZCTEOSA-N -1 3 358.398 0.014 10 0 FCAEHM COCCN(C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F)[C@H]1CCOC1 ZINC000470566734 489726493 /nfs/dbraw/zinc/72/64/93/489726493.db2.gz YGWQMAJZPVJEIR-STQMWFEESA-N -1 3 374.434 0.756 10 0 FCAEHM C[C@@]1(c2ccc(CNC(=O)NCC3(CCO)CC3)cc2)NC(=O)[N-]C1=O ZINC000430410666 489736216 /nfs/dbraw/zinc/73/62/16/489736216.db2.gz XBPOWRWGSFKMSP-KRWDZBQOSA-N -1 3 360.414 0.703 10 0 FCAEHM CCOC(=O)[C@H](Cc1ccccn1)NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000430494039 489740950 /nfs/dbraw/zinc/74/09/50/489740950.db2.gz IDUGZVVWZDIPDK-HNNXBMFYSA-N -1 3 367.361 0.869 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCCC[C@H]2C(N)=O)cn1 ZINC000474262327 489749721 /nfs/dbraw/zinc/74/97/21/489749721.db2.gz AOKHELPFUGAGGA-VXGBXAGGSA-N -1 3 354.432 0.154 10 0 FCAEHM COc1ccc(C(=O)NCC(=O)Nc2nnc(SCCO)[n-]2)cc1 ZINC000490567619 489774500 /nfs/dbraw/zinc/77/45/00/489774500.db2.gz SQDIYRWGRXMFNH-UHFFFAOYSA-N -1 3 351.388 0.266 10 0 FCAEHM COc1ccc(C(=O)NCC(=O)Nc2nc(SCCO)n[n-]2)cc1 ZINC000490567619 489774505 /nfs/dbraw/zinc/77/45/05/489774505.db2.gz SQDIYRWGRXMFNH-UHFFFAOYSA-N -1 3 351.388 0.266 10 0 FCAEHM COc1ccc(C(=O)NCC(=O)Nc2n[n-]c(SCCO)n2)cc1 ZINC000490567619 489774507 /nfs/dbraw/zinc/77/45/07/489774507.db2.gz SQDIYRWGRXMFNH-UHFFFAOYSA-N -1 3 351.388 0.266 10 0 FCAEHM NC(=O)[C@H]1CCC[C@H](NC(=O)C[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000570979612 491278263 /nfs/dbraw/zinc/27/82/63/491278263.db2.gz DTWVIDWOTRVBET-QWRGUYRKSA-N -1 3 357.407 0.264 10 0 FCAEHM COc1nc(NC(=O)c2cc(Cl)c(-n3cnnn3)cc2OC)n[n-]1 ZINC000490708491 489781275 /nfs/dbraw/zinc/78/12/75/489781275.db2.gz JHWGARRVBOHLCY-UHFFFAOYSA-N -1 3 350.726 0.703 10 0 FCAEHM COc1nnc(NC(=O)c2cc(Cl)c(-n3cnnn3)cc2OC)[n-]1 ZINC000490708491 489781281 /nfs/dbraw/zinc/78/12/81/489781281.db2.gz JHWGARRVBOHLCY-UHFFFAOYSA-N -1 3 350.726 0.703 10 0 FCAEHM COc1n[n-]c(NC(=O)c2cc(Cl)c(-n3cnnn3)cc2OC)n1 ZINC000490708491 489781287 /nfs/dbraw/zinc/78/12/87/489781287.db2.gz JHWGARRVBOHLCY-UHFFFAOYSA-N -1 3 350.726 0.703 10 0 FCAEHM COc1nnc(NC(=O)c2ccc3c(c2)CCN3C(=O)CNC(C)=O)[n-]1 ZINC000490731209 489782042 /nfs/dbraw/zinc/78/20/42/489782042.db2.gz HHYRFANFQRXPQZ-UHFFFAOYSA-N -1 3 358.358 0.091 10 0 FCAEHM COc1nc(NC(=O)c2ccc3c(c2)CCN3C(=O)CNC(C)=O)n[n-]1 ZINC000490731209 489782049 /nfs/dbraw/zinc/78/20/49/489782049.db2.gz HHYRFANFQRXPQZ-UHFFFAOYSA-N -1 3 358.358 0.091 10 0 FCAEHM COc1n[n-]c(NC(=O)c2ccc3c(c2)CCN3C(=O)CNC(C)=O)n1 ZINC000490731209 489782055 /nfs/dbraw/zinc/78/20/55/489782055.db2.gz HHYRFANFQRXPQZ-UHFFFAOYSA-N -1 3 358.358 0.091 10 0 FCAEHM COCCCS(=O)(=O)[N-]CC(=O)Nc1cn(Cc2ccccc2)nn1 ZINC000431383471 489803466 /nfs/dbraw/zinc/80/34/66/489803466.db2.gz FBVBMJMXWXMUFV-UHFFFAOYSA-N -1 3 367.431 0.221 10 0 FCAEHM O=C1[N-]C(=O)N2CCN(C[C@H](O)Cc3ccccc3C(F)(F)F)C[C@@H]12 ZINC000492726977 489836025 /nfs/dbraw/zinc/83/60/25/489836025.db2.gz DSZJPSXHUQIFPM-YPMHNXCESA-N -1 3 357.332 0.845 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(-n2ncn(C)c2=O)cc1)C1CC1 ZINC000571047591 491282325 /nfs/dbraw/zinc/28/23/25/491282325.db2.gz YCOYUOIBZRRMBB-AWEZNQCLSA-N -1 3 352.416 0.738 10 0 FCAEHM CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000564013569 491283559 /nfs/dbraw/zinc/28/35/59/491283559.db2.gz YGDLTWIISVAIFB-AAEUAGOBSA-N -1 3 363.443 0.919 10 0 FCAEHM C[C@H](CCNC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)[S@@](C)=O ZINC000493947044 489864906 /nfs/dbraw/zinc/86/49/06/489864906.db2.gz QWBXTMQSWBITBJ-WPUKFBOLSA-N -1 3 351.428 0.628 10 0 FCAEHM C[C@H](CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F)[S@](C)=O ZINC000493954400 489865038 /nfs/dbraw/zinc/86/50/38/489865038.db2.gz FDUVDQVBUIXMGE-AUWXTCHYSA-N -1 3 364.464 0.766 10 0 FCAEHM Cc1ccc(S(=O)(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1N(C)C ZINC000433455960 489885115 /nfs/dbraw/zinc/88/51/15/489885115.db2.gz UMATVQXQGVIUCL-MRXNPFEDSA-N -1 3 366.443 0.424 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC2(CCO)CC2)cc1F ZINC000494547720 489895315 /nfs/dbraw/zinc/89/53/15/489895315.db2.gz LFOATMWPGABYNP-UHFFFAOYSA-N -1 3 366.436 0.638 10 0 FCAEHM CCn1cncc1S(=O)(=O)NCc1ccc(S(=O)(=O)[N-]C)s1 ZINC000433633946 489893940 /nfs/dbraw/zinc/89/39/40/489893940.db2.gz GOXVQBVJNHGPCC-UHFFFAOYSA-N -1 3 364.474 0.351 10 0 FCAEHM COCC[C@H](COC)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000461262251 489900196 /nfs/dbraw/zinc/90/01/96/489900196.db2.gz GCPUSQQCDFJCMY-GHMZBOCLSA-N -1 3 350.462 0.583 10 0 FCAEHM CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000433942368 489905772 /nfs/dbraw/zinc/90/57/72/489905772.db2.gz OAGQVNYTPBWIOX-CYBMUJFWSA-N -1 3 366.447 0.693 10 0 FCAEHM CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000433942368 489905774 /nfs/dbraw/zinc/90/57/74/489905774.db2.gz OAGQVNYTPBWIOX-CYBMUJFWSA-N -1 3 366.447 0.693 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCCN2CCOC)c(C)o1 ZINC000433992623 489908532 /nfs/dbraw/zinc/90/85/32/489908532.db2.gz DNQZUNLKADGPJC-LBPRGKRZSA-N -1 3 359.448 0.337 10 0 FCAEHM Cc1nn(C)c(C)c1[C@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1N)C(F)(F)F ZINC000434015594 489909880 /nfs/dbraw/zinc/90/98/80/489909880.db2.gz CLXWMHDRHZUQDX-VIFPVBQESA-N -1 3 360.296 0.854 10 0 FCAEHM COC(=O)C[C@](C)(NC(=O)CN1CC(=O)[N-]C1=O)c1cccc(F)c1 ZINC000476779532 489915371 /nfs/dbraw/zinc/91/53/71/489915371.db2.gz OZWHFEKCDMLLCI-INIZCTEOSA-N -1 3 351.334 0.272 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)c3ccc(-n4cnnn4)cc3)cc2n(C)c1=O ZINC000461615436 489922101 /nfs/dbraw/zinc/92/21/01/489922101.db2.gz SIMFYTGJWBXIJN-UHFFFAOYSA-N -1 3 365.353 0.811 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)CNc3ccccc3C(N)=O)cc2n(C)c1=O ZINC000461623777 489923263 /nfs/dbraw/zinc/92/32/63/489923263.db2.gz MDUIOGKEAQXFDC-UHFFFAOYSA-N -1 3 369.381 0.732 10 0 FCAEHM CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000495180451 489929555 /nfs/dbraw/zinc/92/95/55/489929555.db2.gz NDAYUERZVAGNBY-UWVGGRQHSA-N -1 3 355.366 0.787 10 0 FCAEHM CC(=O)Nc1cccc(NC(=O)CN2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000434786384 489956836 /nfs/dbraw/zinc/95/68/36/489956836.db2.gz OMXYNKBUEPGBAS-QGZVFWFLSA-N -1 3 359.386 0.258 10 0 FCAEHM O=C(Cc1ccc(Br)cc1[O-])NCCN1C(=O)CCC1=O ZINC000477349998 489959215 /nfs/dbraw/zinc/95/92/15/489959215.db2.gz LDNJOMWKSODBOO-UHFFFAOYSA-N -1 3 355.188 0.962 10 0 FCAEHM CC(=O)N(C)c1ccccc1NC(=O)C[N-]S(=O)(=O)CCOC(C)C ZINC000477459190 489966732 /nfs/dbraw/zinc/96/67/32/489966732.db2.gz XZTZYANONQBASC-UHFFFAOYSA-N -1 3 371.459 0.952 10 0 FCAEHM CN(C)C(=O)c1ccc(NC(=O)CN2CCC[C@@H]2c2nc(=N)n(C)[n-]2)cc1 ZINC000556085125 491293203 /nfs/dbraw/zinc/29/32/03/491293203.db2.gz SHUPDOZOANOMPG-CQSZACIVSA-N -1 3 371.445 0.705 10 0 FCAEHM NC(=O)NC[C@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000436624597 490010110 /nfs/dbraw/zinc/01/01/10/490010110.db2.gz LXLMPKRASBHAEU-UKRRQHHQSA-N -1 3 374.441 0.904 10 0 FCAEHM O=C(NCCCn1cc(CO)nn1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436929851 490016830 /nfs/dbraw/zinc/01/68/30/490016830.db2.gz VGJNPHBNPQEIEW-HNNXBMFYSA-N -1 3 373.413 0.287 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)C(=O)NCCCc2ccccc2)nc1=N ZINC000571245110 491295214 /nfs/dbraw/zinc/29/52/14/491295214.db2.gz NEHMXQUDSBAQLD-AWEZNQCLSA-N -1 3 356.430 0.640 10 0 FCAEHM C[C@@H](CO[C@@H]1CCOC1)[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000441540237 490054755 /nfs/dbraw/zinc/05/47/55/490054755.db2.gz KHDAZPBHTNLQMH-NWDGAFQWSA-N -1 3 363.457 0.562 10 0 FCAEHM O=C(/C=C/c1cncc([O-])c1)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000378533880 490081585 /nfs/dbraw/zinc/08/15/85/490081585.db2.gz OJFOGHKBERDLHE-OWOJBTEDSA-N -1 3 357.370 0.494 10 0 FCAEHM NC(=O)CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000465135509 490084642 /nfs/dbraw/zinc/08/46/42/490084642.db2.gz OQVWSKMTVHNQNW-UHFFFAOYSA-N -1 3 354.363 0.560 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1C(N)=O ZINC000465494070 490125087 /nfs/dbraw/zinc/12/50/87/490125087.db2.gz OKNKXLIBPJLEBO-GHMZBOCLSA-N -1 3 360.457 0.413 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-][C@H]2CCN(c3ccccc3OC)C2=O)c1 ZINC000465500108 490126783 /nfs/dbraw/zinc/12/67/83/490126783.db2.gz ZAAHZLHIVSWEEV-LBPRGKRZSA-N -1 3 364.427 0.995 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1CCC(C(N)=O)CC1 ZINC000520314841 490132507 /nfs/dbraw/zinc/13/25/07/490132507.db2.gz SMMUFGPBMQNONB-UHFFFAOYSA-N -1 3 360.457 0.413 10 0 FCAEHM COc1ccc(Br)cc1S(=O)(=O)[N-]Cc1nnn(C)n1 ZINC000398184519 490166917 /nfs/dbraw/zinc/16/69/17/490166917.db2.gz URCVAPCXJKRGSA-UHFFFAOYSA-N -1 3 362.209 0.460 10 0 FCAEHM O=C(NCCCCOCc1ccccc1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000546138710 490194870 /nfs/dbraw/zinc/19/48/70/490194870.db2.gz BMQGPPXQHGUZPG-OAHLLOKOSA-N -1 3 360.414 0.929 10 0 FCAEHM CC(=O)N1CSC[C@H]1C(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000407988897 490196058 /nfs/dbraw/zinc/19/60/58/490196058.db2.gz IHHJUCBPZFGIGZ-HNNXBMFYSA-N -1 3 363.439 0.598 10 0 FCAEHM COC[C@@H](NC(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1)c1ccc(F)cc1 ZINC000546142875 490196597 /nfs/dbraw/zinc/19/65/97/490196597.db2.gz PSDXXQMVBJWUQV-OLZOCXBDSA-N -1 3 350.350 0.459 10 0 FCAEHM COc1ncccc1-c1noc(C[N-]S(=O)(=O)CCOC(C)C)n1 ZINC000546356232 490211986 /nfs/dbraw/zinc/21/19/86/490211986.db2.gz PCBPIIOWUDWKBQ-UHFFFAOYSA-N -1 3 356.404 0.985 10 0 FCAEHM CNC(=O)[C@H]1CCCN1C(=O)C[N-]S(=O)(=O)Cc1ccc(C)cc1F ZINC000480639811 490220475 /nfs/dbraw/zinc/22/04/75/490220475.db2.gz WEOOKUMGURDXTA-CQSZACIVSA-N -1 3 371.434 0.291 10 0 FCAEHM O=C(NCCC1CCS(=O)(=O)CC1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000507648699 490242368 /nfs/dbraw/zinc/24/23/68/490242368.db2.gz HOIYGUDBOPLOKQ-UHFFFAOYSA-N -1 3 365.411 0.907 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC[C@H]([C@@H]3CCOC3)C2)cn1C ZINC000533503686 490246346 /nfs/dbraw/zinc/24/63/46/490246346.db2.gz CVLLZZIPVPHCHJ-UONOGXRCSA-N -1 3 370.475 0.282 10 0 FCAEHM CCCCS(=O)(=O)[N-]CC(=O)Nc1cn(Cc2ccccc2)nn1 ZINC000447604508 490246845 /nfs/dbraw/zinc/24/68/45/490246845.db2.gz AZFPEPGADJMRAE-UHFFFAOYSA-N -1 3 351.432 0.984 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCCC[C@H]2C(N)=O)c(C)o1 ZINC000467207248 490268905 /nfs/dbraw/zinc/26/89/05/490268905.db2.gz OAEPWIDNBPTETC-ZYHUDNBSSA-N -1 3 357.432 0.660 10 0 FCAEHM Cc1ccc(CNC(=O)CN2CC(=O)[N-]C2=O)c(OC[C@@H]2CCCO2)c1 ZINC000467219213 490269716 /nfs/dbraw/zinc/26/97/16/490269716.db2.gz SMBXEONRKATTRR-AWEZNQCLSA-N -1 3 361.398 0.721 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCc2nc([C@@H]3CCO[C@H](C)C3)no2)cn1C ZINC000547218007 490271389 /nfs/dbraw/zinc/27/13/89/490271389.db2.gz CWIQUHJZIOREGF-ZYHUDNBSSA-N -1 3 369.447 0.915 10 0 FCAEHM CC(=O)N1CC[C@H]([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)C1 ZINC000408285433 490297171 /nfs/dbraw/zinc/29/71/71/490297171.db2.gz GWVVGIZQFMGRAE-NSHDSACASA-N -1 3 355.391 0.610 10 0 FCAEHM O=C(Nc1cc(N2CCCS2(=O)=O)ccc1[O-])[C@H](O)C1CCOCC1 ZINC000533963848 490304092 /nfs/dbraw/zinc/30/40/92/490304092.db2.gz CRNZYVYXMUCXEV-OAHLLOKOSA-N -1 3 370.427 0.658 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CCNC[C@H]1C(F)F ZINC000521877075 490306743 /nfs/dbraw/zinc/30/67/43/490306743.db2.gz VZNMLSNWGNGVGP-VIFPVBQESA-N -1 3 353.416 0.482 10 0 FCAEHM CCN(CC)CC(=O)N1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000508235331 490310282 /nfs/dbraw/zinc/31/02/82/490310282.db2.gz KNXBIESCAMWUTG-UHFFFAOYSA-N -1 3 371.441 0.549 10 0 FCAEHM O=C(c1ccccc1)N1CC(S(=O)(=O)[N-]C2(CF)CCOCC2)C1 ZINC000564633859 491317609 /nfs/dbraw/zinc/31/76/09/491317609.db2.gz QHTMKPOYPBUFTQ-UHFFFAOYSA-N -1 3 356.419 0.949 10 0 FCAEHM COC(=O)[C@H](CC(F)F)[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000534163280 490327821 /nfs/dbraw/zinc/32/78/21/490327821.db2.gz HXCJZYARLLQIPS-QMMMGPOBSA-N -1 3 371.383 0.565 10 0 FCAEHM NS(=O)(=O)[C@H]1CCN(C(=O)Cc2ccc(Br)cc2[O-])C1 ZINC000547751221 490351731 /nfs/dbraw/zinc/35/17/31/490351731.db2.gz QPWDUTQWAOFFSU-JTQLQIEISA-N -1 3 363.233 0.587 10 0 FCAEHM C[C@@]1(c2cccc(C(=O)N3CCSC[C@@H]3CCO)c2)NC(=O)[N-]C1=O ZINC000534343378 490357063 /nfs/dbraw/zinc/35/70/63/490357063.db2.gz DWGOWOGDQMOEBC-GUYCJALGSA-N -1 3 363.439 0.681 10 0 FCAEHM COc1ccc2c(c1)[n-]cc(C(=O)N1CCN(C(=O)[C@H](C)O)CC1)c2=O ZINC000499079209 490385739 /nfs/dbraw/zinc/38/57/39/490385739.db2.gz XLXIWWLSZOQAFJ-NSHDSACASA-N -1 3 359.382 0.202 10 0 FCAEHM CC(C)(C)OC(=O)CSCC(=O)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000411105101 490388100 /nfs/dbraw/zinc/38/81/00/490388100.db2.gz QJQHOBHXDMRLAQ-UHFFFAOYSA-N -1 3 355.420 0.710 10 0 FCAEHM CC(C)(C)OC(=O)CSCC(=O)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000411105101 490388107 /nfs/dbraw/zinc/38/81/07/490388107.db2.gz QJQHOBHXDMRLAQ-UHFFFAOYSA-N -1 3 355.420 0.710 10 0 FCAEHM CC(C)(C)OC(=O)CSCC(=O)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000411105101 490388110 /nfs/dbraw/zinc/38/81/10/490388110.db2.gz QJQHOBHXDMRLAQ-UHFFFAOYSA-N -1 3 355.420 0.710 10 0 FCAEHM O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000411103169 490389579 /nfs/dbraw/zinc/38/95/79/490389579.db2.gz GCKOHPVPIWXHPQ-GHMZBOCLSA-N -1 3 374.401 0.201 10 0 FCAEHM O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000411103169 490389588 /nfs/dbraw/zinc/38/95/88/490389588.db2.gz GCKOHPVPIWXHPQ-GHMZBOCLSA-N -1 3 374.401 0.201 10 0 FCAEHM O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000411103169 490389593 /nfs/dbraw/zinc/38/95/93/490389593.db2.gz GCKOHPVPIWXHPQ-GHMZBOCLSA-N -1 3 374.401 0.201 10 0 FCAEHM Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1)C2=O ZINC000571675970 491322578 /nfs/dbraw/zinc/32/25/78/491322578.db2.gz IOHXBAOBSVJAHX-ZDUSSCGKSA-N -1 3 368.397 0.496 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]C[C@H](Oc2ccc(F)cc2)C(=O)OC)c1 ZINC000534634507 490391000 /nfs/dbraw/zinc/39/10/00/490391000.db2.gz KRDDWIARDLEYEH-ZDUSSCGKSA-N -1 3 371.390 0.941 10 0 FCAEHM CN(Cc1cc(=O)[n-]c(N)n1)[C@H]1CCN(C(=O)CC2(O)CCCCC2)C1 ZINC000548024914 490408748 /nfs/dbraw/zinc/40/87/48/490408748.db2.gz IBHYDPGQQQZBIJ-AWEZNQCLSA-N -1 3 363.462 0.882 10 0 FCAEHM CNC(=O)[C@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000509299589 490413226 /nfs/dbraw/zinc/41/32/26/490413226.db2.gz ZTIXHSSIFSXMGL-QMMMGPOBSA-N -1 3 371.640 0.488 10 0 FCAEHM CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000564769120 491325462 /nfs/dbraw/zinc/32/54/62/491325462.db2.gz ZUYOUHRJTDLFHN-HNNXBMFYSA-N -1 3 355.398 0.917 10 0 FCAEHM CNC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]Cc2noc(C)n2)c1OC ZINC000509454436 490428858 /nfs/dbraw/zinc/42/88/58/490428858.db2.gz RTQIDIBVGDVADS-UHFFFAOYSA-N -1 3 374.806 0.878 10 0 FCAEHM COC(=O)[C@H]1CCN(C(=O)NCc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)C1 ZINC000523215832 490448646 /nfs/dbraw/zinc/44/86/46/490448646.db2.gz GVIRDDBKAWOBHT-SGTLLEGYSA-N -1 3 374.397 0.446 10 0 FCAEHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](C(=O)OC)c2ccn(C)n2)c1 ZINC000468796816 490449856 /nfs/dbraw/zinc/44/98/56/490449856.db2.gz COTHPWZOAJFGEA-NSHDSACASA-N -1 3 373.412 0.461 10 0 FCAEHM CC(=O)NC1CCC([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)CC1 ZINC000509699038 490452888 /nfs/dbraw/zinc/45/28/88/490452888.db2.gz PGEMYTZRQWMXJX-UHFFFAOYSA-N -1 3 374.484 0.816 10 0 FCAEHM Cc1cc(C)n(CC(=O)NCc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)n1 ZINC000523555308 490473248 /nfs/dbraw/zinc/47/32/48/490473248.db2.gz ZWWKBIFMOXQUBW-SFHVURJKSA-N -1 3 355.398 0.871 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000523580608 490477142 /nfs/dbraw/zinc/47/71/42/490477142.db2.gz XVKARAZEXGNZSG-MNOVXSKESA-N -1 3 352.188 0.973 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1cccc(C(=O)NCc2ccccn2)c1 ZINC000535318989 490478991 /nfs/dbraw/zinc/47/89/91/490478991.db2.gz SQFPDGRWSOSFIV-AWEZNQCLSA-N -1 3 367.365 0.548 10 0 FCAEHM C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000548493672 490492628 /nfs/dbraw/zinc/49/26/28/490492628.db2.gz WQCRZVYZSYWRLG-NXEZZACHSA-N -1 3 368.381 0.888 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2CC(=O)N2CCN(Cc3ccco3)CC2)nc1=N ZINC000450908655 490496842 /nfs/dbraw/zinc/49/68/42/490496842.db2.gz HPNHVPJGKWDJBI-HNNXBMFYSA-N -1 3 373.461 0.302 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCc1noc(C2CC2)n1 ZINC000535729858 490518813 /nfs/dbraw/zinc/51/88/13/490518813.db2.gz RQRUWXCFROENNB-MRVPVSSYSA-N -1 3 356.429 0.992 10 0 FCAEHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C)C2(S(C)(=O)=O)CC2)c1 ZINC000510468347 490520303 /nfs/dbraw/zinc/52/03/03/490520303.db2.gz AMKLYPZHBOTPJM-QMMMGPOBSA-N -1 3 367.470 0.779 10 0 FCAEHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@H]1CCC[C@H](C(N)=O)C1 ZINC000485845090 490563128 /nfs/dbraw/zinc/56/31/28/490563128.db2.gz DPEIJXSILUJZEC-UWVGGRQHSA-N -1 3 358.416 0.951 10 0 FCAEHM CS(=O)(=O)[N-]c1cc(C(=O)NCC(=O)NCc2ccco2)ccc1F ZINC000511147303 490565756 /nfs/dbraw/zinc/56/57/56/490565756.db2.gz PPRZJBSZIULNAN-UHFFFAOYSA-N -1 3 369.374 0.836 10 0 FCAEHM CC(C)CN1C[C@@H]2CN(C(=O)c3cc(=O)[n-]c(N(C)C)n3)CCN2C1=O ZINC000549376737 490580055 /nfs/dbraw/zinc/58/00/55/490580055.db2.gz BPPXFIZYGUQYMY-LBPRGKRZSA-N -1 3 362.434 0.466 10 0 FCAEHM CN(C)c1nc(C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)cc(=O)[n-]1 ZINC000549600592 490592022 /nfs/dbraw/zinc/59/20/22/490592022.db2.gz ZTSYGOAMTAUATL-UHFFFAOYSA-N -1 3 373.417 0.756 10 0 FCAEHM O=C(c1ccccc1)N1CC(S(=O)(=O)[N-]C[C@H](O)C(F)(F)F)C1 ZINC000501443937 490604728 /nfs/dbraw/zinc/60/47/28/490604728.db2.gz WTFKADXTBVQZMB-NSHDSACASA-N -1 3 352.334 0.354 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)NC2(C(F)F)CC2)ccc1F ZINC000501455016 490605839 /nfs/dbraw/zinc/60/58/39/490605839.db2.gz ULVAQKGNJYTHJQ-UHFFFAOYSA-N -1 3 365.333 0.586 10 0 FCAEHM CN(C)C(=O)C1(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2[O-])CC1 ZINC000571949580 491339386 /nfs/dbraw/zinc/33/93/86/491339386.db2.gz JMNLENQPLSNAPS-UHFFFAOYSA-N -1 3 367.427 0.739 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@@H]2CCc3c2cccc3F)cn1C ZINC000511604144 490607325 /nfs/dbraw/zinc/60/73/25/490607325.db2.gz OCQQYGFVYNXBHR-CQSZACIVSA-N -1 3 366.418 0.950 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)N2CCN(CCO)[C@@H](C)C2)ccc1F ZINC000486387012 490616076 /nfs/dbraw/zinc/61/60/76/490616076.db2.gz JQVBFJBVHFMMDX-NSHDSACASA-N -1 3 374.438 0.264 10 0 FCAEHM COc1cc(C(=O)Nc2ccc(C(=O)NCC(N)=O)cc2)cc(OC)c1[O-] ZINC000486579102 490647814 /nfs/dbraw/zinc/64/78/14/490647814.db2.gz JRCMSBWPWHUDHV-UHFFFAOYSA-N -1 3 373.365 0.877 10 0 FCAEHM C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000564985023 491343525 /nfs/dbraw/zinc/34/35/25/491343525.db2.gz DHFRAPRQUPBAID-KBXIAJHMSA-N -1 3 353.463 0.792 10 0 FCAEHM CC(C)n1cnc(S(=O)(=O)[N-]Cc2ncccc2S(C)(=O)=O)c1 ZINC000486845797 490675957 /nfs/dbraw/zinc/67/59/57/490675957.db2.gz NOBPRZXBTUFMNI-UHFFFAOYSA-N -1 3 358.445 0.741 10 0 FCAEHM CCc1ncc(S(=O)(=O)[N-]Cc2ncccc2S(C)(=O)=O)s1 ZINC000486852003 490676606 /nfs/dbraw/zinc/67/66/06/490676606.db2.gz BLLMVXCSRPDYEL-UHFFFAOYSA-N -1 3 361.470 0.983 10 0 FCAEHM NC(=O)CNC(=O)c1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000512666692 490691876 /nfs/dbraw/zinc/69/18/76/490691876.db2.gz XREXETHTQYPYEU-UHFFFAOYSA-N -1 3 364.361 0.996 10 0 FCAEHM NC(=O)CNC(=O)c1ccc(NC(=O)c2cnc3ccccc3c2[O-])cc1 ZINC000512666692 490691879 /nfs/dbraw/zinc/69/18/79/490691879.db2.gz XREXETHTQYPYEU-UHFFFAOYSA-N -1 3 364.361 0.996 10 0 FCAEHM C[C@@H]1C[C@H]1N1C[C@H](NC(=O)C[N-]S(=O)(=O)c2ccccc2F)CC1=O ZINC000572084656 491347895 /nfs/dbraw/zinc/34/78/95/491347895.db2.gz WQGUZIYEPJKALM-NQBHXWOUSA-N -1 3 369.418 0.230 10 0 FCAEHM COC(=O)CN(Cc1ccc(F)c(F)c1)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000538020243 490705090 /nfs/dbraw/zinc/70/50/90/490705090.db2.gz CHMXQWHVWYLXFK-NSHDSACASA-N -1 3 355.297 0.065 10 0 FCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cnc(CC)s1 ZINC000487374107 490709636 /nfs/dbraw/zinc/70/96/36/490709636.db2.gz ZRMUOAHKJIGPOR-DTWKUNHWSA-N -1 3 363.461 0.440 10 0 FCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000487380876 490709960 /nfs/dbraw/zinc/70/99/60/490709960.db2.gz STHVIIDEHWFXIF-DTWKUNHWSA-N -1 3 363.823 0.470 10 0 FCAEHM COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)c1cn(C)c(=O)[n-]c1=O ZINC000503394004 490753710 /nfs/dbraw/zinc/75/37/10/490753710.db2.gz HLVQZKLDIHKGTE-LBPRGKRZSA-N -1 3 359.382 0.937 10 0 FCAEHM COc1ccccc1CCN(C)C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000503675494 490770315 /nfs/dbraw/zinc/77/03/15/490770315.db2.gz QWDCPQPZSPIYHF-UHFFFAOYSA-N -1 3 366.443 0.408 10 0 FCAEHM CCc1nnc(CNC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)o1 ZINC000503712636 490772713 /nfs/dbraw/zinc/77/27/13/490772713.db2.gz VLYIPEUURVGUEX-VIFPVBQESA-N -1 3 356.379 0.754 10 0 FCAEHM CCn1ncc(CNC(=O)NCc2ccc(S(=O)(=O)[N-]C)s2)n1 ZINC000528089333 490776990 /nfs/dbraw/zinc/77/69/90/490776990.db2.gz MWUBFYFPVBZSPJ-UHFFFAOYSA-N -1 3 358.449 0.267 10 0 FCAEHM O=C(CN1CCN(Cc2ccccc2)CC1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000539325622 490777627 /nfs/dbraw/zinc/77/76/27/490777627.db2.gz GNAZCMNQSNRJPU-QGZVFWFLSA-N -1 3 369.473 0.724 10 0 FCAEHM O=C(NCC1COC1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000528312040 490787549 /nfs/dbraw/zinc/78/75/49/490787549.db2.gz PGIRQVIEJWQSDC-UHFFFAOYSA-N -1 3 359.473 0.847 10 0 FCAEHM COC[C@H](CO)[N-]S(=O)(=O)c1c(OC)cccc1OC(F)(F)F ZINC000528403136 490794822 /nfs/dbraw/zinc/79/48/22/490794822.db2.gz IMTIZUQGXTXLEC-QMMMGPOBSA-N -1 3 359.322 0.879 10 0 FCAEHM CCn1ncc(C[N-]S(=O)(=O)c2cccc(S(=O)(=O)CC)c2)n1 ZINC000528445474 490798289 /nfs/dbraw/zinc/79/82/89/490798289.db2.gz FPFAUFZFIAEFSX-UHFFFAOYSA-N -1 3 358.445 0.570 10 0 FCAEHM COCCn1cc(S(=O)(=O)[N-]C[C@@H](n2cccn2)C(F)(F)F)cn1 ZINC000528453021 490798895 /nfs/dbraw/zinc/79/88/95/490798895.db2.gz QQUVMZCACPYXAT-LLVKDONJSA-N -1 3 367.353 0.808 10 0 FCAEHM CN1C2(CCC2)COC[C@@]1(CO)C[N-]S(=O)(=O)c1cncc(F)c1 ZINC000528481851 490802120 /nfs/dbraw/zinc/80/21/20/490802120.db2.gz TYGZFTZFKYLWQF-HNNXBMFYSA-N -1 3 359.423 0.115 10 0 FCAEHM CCn1cc(S(=O)(=O)[N-]C[C@]2(CO)COCC3(CCC3)N2C)nc1C ZINC000528482372 490802450 /nfs/dbraw/zinc/80/24/50/490802450.db2.gz XRVXSZVDTJPTRX-INIZCTEOSA-N -1 3 372.491 0.106 10 0 FCAEHM COC(=O)[C@@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1ccc(Cl)c(F)c1 ZINC000540199369 490809154 /nfs/dbraw/zinc/80/91/54/490809154.db2.gz YOIHVQXWNOPQNC-ONGXEEELSA-N -1 3 357.725 0.408 10 0 FCAEHM CC(=O)Nc1ncc(S(=O)(=O)[N-]C[C@H]2CCCCN2CCO)s1 ZINC000515367774 490822229 /nfs/dbraw/zinc/82/22/29/490822229.db2.gz AOZSJVRYIFJGML-LLVKDONJSA-N -1 3 362.477 0.227 10 0 FCAEHM COc1ccc2c(c1)[n-]cc(C(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1)c2=O ZINC000540473222 490824599 /nfs/dbraw/zinc/82/45/99/490824599.db2.gz XGSABTSHVKLSBT-WBMJQRKESA-N -1 3 373.409 0.902 10 0 FCAEHM CCN1CCN(CC[N-]S(=O)(=O)c2cn3c(n2)CCC[C@@H]3C)CC1 ZINC000515405726 490825051 /nfs/dbraw/zinc/82/50/51/490825051.db2.gz DQGXNPUFZJMBQC-AWEZNQCLSA-N -1 3 355.508 0.696 10 0 FCAEHM Cc1cc([N-]S(=O)(=O)c2cccc(C(N)=O)c2)ccc1-n1cnnn1 ZINC000515692249 490835922 /nfs/dbraw/zinc/83/59/22/490835922.db2.gz WVCQQNDQEKEDSK-UHFFFAOYSA-N -1 3 358.383 0.870 10 0 FCAEHM CO[C@H](CS(=O)(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)C1CC1 ZINC000516283825 490859552 /nfs/dbraw/zinc/85/95/52/490859552.db2.gz LLOWTDWUOVSELK-MRXNPFEDSA-N -1 3 368.455 0.905 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CCN2CCOC[C@H]2C1 ZINC000541754905 490871010 /nfs/dbraw/zinc/87/10/10/490871010.db2.gz FBKPNXGOGKCXHU-GFCCVEGCSA-N -1 3 357.414 0.708 10 0 FCAEHM CNC(=O)NC[C@@H]1CN(C(=O)c2c[n-]c3ccc(C)cc3c2=O)CCO1 ZINC000529742636 490871091 /nfs/dbraw/zinc/87/10/91/490871091.db2.gz IRADPFHSESNUPI-GFCCVEGCSA-N -1 3 358.398 0.607 10 0 FCAEHM COc1ccc(S(=O)(=O)N2[C@H](C)C[C@H]2C)cc1[C@]1(C)NC(=O)[N-]C1=O ZINC000530479084 490907755 /nfs/dbraw/zinc/90/77/55/490907755.db2.gz ASJWGIGRFJAURY-LYGAQUJYSA-N -1 3 367.427 0.921 10 0 FCAEHM COc1nc(NC(=O)[C@@H](CSC)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)n[n-]1 ZINC000542774558 490908655 /nfs/dbraw/zinc/90/86/55/490908655.db2.gz FDFZODIXCPIWKB-KXUCPTDWSA-N -1 3 367.431 0.659 10 0 FCAEHM COc1nnc(NC(=O)[C@@H](CSC)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)[n-]1 ZINC000542774558 490908657 /nfs/dbraw/zinc/90/86/57/490908657.db2.gz FDFZODIXCPIWKB-KXUCPTDWSA-N -1 3 367.431 0.659 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@@H](CSC)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)n1 ZINC000542774558 490908659 /nfs/dbraw/zinc/90/86/59/490908659.db2.gz FDFZODIXCPIWKB-KXUCPTDWSA-N -1 3 367.431 0.659 10 0 FCAEHM CNC(=O)[C@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1cccc(C)c1F ZINC000542873964 490913237 /nfs/dbraw/zinc/91/32/37/490913237.db2.gz LBGYIFCSJOFZMH-LLVKDONJSA-N -1 3 357.407 0.149 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-][C@H]2CCN(c3cc(C)nn3C)C2=O)c1 ZINC000530616347 490915902 /nfs/dbraw/zinc/91/59/02/490915902.db2.gz ZTCICIOQKCBMLT-NSHDSACASA-N -1 3 352.420 0.029 10 0 FCAEHM COC(=O)c1cc(-c2csc(NC(=O)CN3CC(=O)[N-]C3=O)n2)c[nH]1 ZINC000517704661 490917030 /nfs/dbraw/zinc/91/70/30/490917030.db2.gz GBOQPUOPCMFTTK-UHFFFAOYSA-N -1 3 363.355 0.415 10 0 FCAEHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H]2CCC[C@H](C(N)=O)C2)c1 ZINC000542977442 490917197 /nfs/dbraw/zinc/91/71/97/490917197.db2.gz GDNIAUWVDHELEH-CABZTGNLSA-N -1 3 358.391 0.935 10 0 FCAEHM COC(=O)c1ccc(N2CCN(C(=O)CN3CC(=O)[N-]C3=O)[C@@H](C)C2)cc1 ZINC000517716195 490917801 /nfs/dbraw/zinc/91/78/01/490917801.db2.gz GSWZZJVQAJKGQX-LBPRGKRZSA-N -1 3 374.397 0.062 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-][C@H]2CCCN(Cc3nccn3C)C2=O)c1 ZINC000543050044 490920137 /nfs/dbraw/zinc/92/01/37/490920137.db2.gz KOWIFXAKVFOQKA-LBPRGKRZSA-N -1 3 366.447 0.106 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000530750596 490922486 /nfs/dbraw/zinc/92/24/86/490922486.db2.gz DZYUPDJHUZQBFN-SNVBAGLBSA-N -1 3 356.386 0.401 10 0 FCAEHM CNC(=O)[C@@H]1CCCN1C(=O)C[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000518422851 490940824 /nfs/dbraw/zinc/94/08/24/490940824.db2.gz CCELLAQLSMRUJY-ZDUSSCGKSA-N -1 3 373.862 0.496 10 0 FCAEHM C[C@]1(c2ccc(CNC(=O)[C@@H](O)C3CCOCC3)cc2)NC(=O)[N-]C1=O ZINC000531296232 490950732 /nfs/dbraw/zinc/95/07/32/490950732.db2.gz OXORJVWOBLLBBR-KBXCAEBGSA-N -1 3 361.398 0.145 10 0 FCAEHM CN(C(=O)c1cnc([O-])n(C)c1=O)C1CCN(CCc2ccccn2)CC1 ZINC000531438637 490958373 /nfs/dbraw/zinc/95/83/73/490958373.db2.gz LJUZMMIJXABZAG-UHFFFAOYSA-N -1 3 371.441 0.660 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(N)=O)C2)s1 ZINC000531686648 490970605 /nfs/dbraw/zinc/97/06/05/490970605.db2.gz UWCPQYHUJDATKQ-WDEREUQCSA-N -1 3 359.473 0.707 10 0 FCAEHM COCC[C@@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)C(=O)OC ZINC000519483026 490972958 /nfs/dbraw/zinc/97/29/58/490972958.db2.gz KALYCZSAZKPWII-SECBINFHSA-N -1 3 356.322 0.957 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCC[C@H]2COCC[C@@H]21 ZINC000532052701 490984420 /nfs/dbraw/zinc/98/44/20/490984420.db2.gz QWNNPIJFJBJSCJ-ONGXEEELSA-N -1 3 372.219 0.739 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]c1ccc(CNS(C)(=O)=O)cc1)C1CC1 ZINC000519706597 490985567 /nfs/dbraw/zinc/98/55/67/490985567.db2.gz LJCAMBSLCIZZFI-CQSZACIVSA-N -1 3 362.473 0.903 10 0 FCAEHM Cn1cc(N2CC[C@H](NC(=O)c3cc(=O)c4ccccc4[n-]3)C2=O)cn1 ZINC000565327788 491370132 /nfs/dbraw/zinc/37/01/32/491370132.db2.gz LLJDFSWAGPUDSV-AWEZNQCLSA-N -1 3 351.366 0.797 10 0 FCAEHM C[C@@H]1CCN(c2cc(C(=O)N3CCC[C@]4(C3)NC(=O)[N-]C4=O)ccn2)C1 ZINC000572808784 491394822 /nfs/dbraw/zinc/39/48/22/491394822.db2.gz JKBNGPAMRZVHEA-KZULUSFZSA-N -1 3 357.414 0.742 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(NC(=O)NCC(N)=O)c1)C1CC1 ZINC000565716756 491395366 /nfs/dbraw/zinc/39/53/66/491395366.db2.gz YSTZEMALMPQROD-ZDUSSCGKSA-N -1 3 370.431 0.460 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-][C@@H]1CCCN(CC(F)(F)F)C1=O)C1CC1 ZINC000565773036 491398550 /nfs/dbraw/zinc/39/85/50/491398550.db2.gz KNKVAXLOMRWVSC-MNOVXSKESA-N -1 3 358.382 0.884 10 0 FCAEHM Cc1noc(CCNC(=O)c2cc(C3CC3)nc3c2c(=O)[n-]c(=O)n3C)n1 ZINC000557835206 491400046 /nfs/dbraw/zinc/40/00/46/491400046.db2.gz UGOAUHQUEFCXKQ-UHFFFAOYSA-N -1 3 370.369 0.575 10 0 FCAEHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](CF)C(=O)OC)c1 ZINC000557864124 491401797 /nfs/dbraw/zinc/40/17/97/491401797.db2.gz XRCYTDMKRHHMSB-LLVKDONJSA-N -1 3 351.327 0.792 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCN(S(=O)(=O)c2cscn2)CC1 ZINC000565830443 491401972 /nfs/dbraw/zinc/40/19/72/491401972.db2.gz FNSKYIRNNOSQDU-UHFFFAOYSA-N -1 3 353.425 0.995 10 0 FCAEHM CCO[C@@H]1C[C@@H](NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)[C@H]1n1cccn1 ZINC000565855151 491403589 /nfs/dbraw/zinc/40/35/89/491403589.db2.gz PYTKUYMBCPBPDG-RBSFLKMASA-N -1 3 354.366 0.915 10 0 FCAEHM CC(C)OCc1nc([C@H](C)[N-]S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)no1 ZINC000565860628 491404120 /nfs/dbraw/zinc/40/41/20/491404120.db2.gz FITXTNLOBXVBSG-TUAOUCFPSA-N -1 3 362.452 0.999 10 0 FCAEHM C[C@@H](CO)N(C)S(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)F)cc1 ZINC000572975504 491404992 /nfs/dbraw/zinc/40/49/92/491404992.db2.gz XBNXFXKKRCPEBQ-VIFPVBQESA-N -1 3 372.415 0.231 10 0 FCAEHM C[C@](O)(CO)CNC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000565880663 491405208 /nfs/dbraw/zinc/40/52/08/491405208.db2.gz UYRRZMUAEUBHPJ-GFCCVEGCSA-N -1 3 370.349 0.550 10 0 FCAEHM Cc1nn(-c2ccccc2)cc1CCCNC(=O)CN1CC(=O)[N-]C1=O ZINC000558053969 491411126 /nfs/dbraw/zinc/41/11/26/491411126.db2.gz OWWHSCUMRVIEDT-UHFFFAOYSA-N -1 3 355.398 0.781 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]c1ccc(CN2C(=O)CNC2=O)cc1)C1CC1 ZINC000566008876 491412191 /nfs/dbraw/zinc/41/21/91/491412191.db2.gz OQTFHDFMWROBML-CQSZACIVSA-N -1 3 367.427 0.905 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000566166420 491422105 /nfs/dbraw/zinc/42/21/05/491422105.db2.gz GDKICHHSPWECGQ-LLVKDONJSA-N -1 3 372.424 0.805 10 0 FCAEHM COc1ccc(NC(=O)c2cc(=O)[n-]c(N(C)C)n2)cc1OCC(N)=O ZINC000558976449 491450484 /nfs/dbraw/zinc/45/04/84/491450484.db2.gz GSPAUJBPLPXCJH-UHFFFAOYSA-N -1 3 361.358 0.373 10 0 FCAEHM COC(=O)[C@H](CNC(=O)c1cc(=O)[n-]c(N(C)C)n1)Cc1ccc(O)cc1 ZINC000559013770 491451512 /nfs/dbraw/zinc/45/15/12/491451512.db2.gz XDZCACOCISMXFA-LBPRGKRZSA-N -1 3 374.397 0.716 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)CN2c3ccccc3OCC2=O)nc1=N ZINC000559262213 491459327 /nfs/dbraw/zinc/45/93/27/491459327.db2.gz KJCPICWRBVJQAJ-LBPRGKRZSA-N -1 3 356.386 0.317 10 0 FCAEHM COC(C)(C)CS(=O)(=O)[N-]C[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000566676048 491459888 /nfs/dbraw/zinc/45/98/88/491459888.db2.gz PSFMXCMQXYDFKD-NSHDSACASA-N -1 3 363.457 0.566 10 0 FCAEHM Cc1ncc(CNC(=O)CC[N-]S(=O)(=O)c2cccs2)c(N)n1 ZINC000566857168 491471707 /nfs/dbraw/zinc/47/17/07/491471707.db2.gz LKXRXELCAMEDOG-UHFFFAOYSA-N -1 3 355.445 0.414 10 0 FCAEHM O=c1n(Cc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)nnn1C1CC1 ZINC000567002567 491480068 /nfs/dbraw/zinc/48/00/68/491480068.db2.gz WAHOBLHCGRAENH-UHFFFAOYSA-N -1 3 350.342 0.658 10 0 FCAEHM O=C(NC[C@H]1CCCS1(=O)=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000567639550 491519792 /nfs/dbraw/zinc/51/97/92/491519792.db2.gz BQRDEJWDWPVUPZ-OCCSQVGLSA-N -1 3 366.439 0.690 10 0 FCAEHM COC(=O)c1c(C2CC2)csc1[N-]C(=O)C(=O)N1CC(C)(C(N)=O)C1 ZINC000567832944 491532785 /nfs/dbraw/zinc/53/27/85/491532785.db2.gz RUENEZZLFLCKFS-UHFFFAOYSA-N -1 3 365.411 0.684 10 0 FCAEHM CCS(=O)(=O)NCCS(=O)(=O)[N-][C@H](c1ccccc1F)[C@@H](C)O ZINC000568032758 491549078 /nfs/dbraw/zinc/54/90/78/491549078.db2.gz QNHHXHWKEOMSJI-MFKMUULPSA-N -1 3 368.452 0.106 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-][C@H](C(=O)OC)[C@H]2CCC[C@H](OC)C2)c1 ZINC000568037492 491549640 /nfs/dbraw/zinc/54/96/40/491549640.db2.gz ADYGWRBMJRENMV-OBJOEFQTSA-N -1 3 359.448 0.928 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]c1cccc([C@@]2(C)NC(=O)NC2=O)c1)C1CC1 ZINC000575749258 491558386 /nfs/dbraw/zinc/55/83/86/491558386.db2.gz YJRDBBFDOYZSBM-XJKSGUPXSA-N -1 3 367.427 0.908 10 0 FCAEHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]CCCn3cc(CO)nn3)cn21 ZINC000568262445 491563463 /nfs/dbraw/zinc/56/34/63/491563463.db2.gz OGWQFKJLORUDMI-LLVKDONJSA-N -1 3 354.436 0.233 10 0 FCAEHM CN(C)c1nc(C(=O)N2CCN(C(=O)c3cccn3C)CC2)cc(=O)[n-]1 ZINC000683403872 493350598 /nfs/dbraw/zinc/35/05/98/493350598.db2.gz AXNBTYCTNPEBGM-UHFFFAOYSA-N -1 3 358.402 0.185 10 0 FCAEHM CN(C)c1nc(C(=O)N2CC[C@]3(C2)c2ccccc2NC3=O)cc(=O)[n-]1 ZINC000683418211 493351543 /nfs/dbraw/zinc/35/15/43/493351543.db2.gz WHZHDUKLXBCARO-SFHVURJKSA-N -1 3 353.382 0.984 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)NC2CC(C)(C)C2)ccc1F ZINC000576053879 491579019 /nfs/dbraw/zinc/57/90/19/491579019.db2.gz DFVZOSRDVCFJJL-UHFFFAOYSA-N -1 3 357.407 0.977 10 0 FCAEHM O=C(CCCn1c(=O)oc2ccccc21)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000576100883 491581204 /nfs/dbraw/zinc/58/12/04/491581204.db2.gz AATNNNNKAIRBER-SFHVURJKSA-N -1 3 372.381 0.575 10 0 FCAEHM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-][C@@H](C[C@@H](C)CC)C(=O)OC ZINC000577218577 491603876 /nfs/dbraw/zinc/60/38/76/491603876.db2.gz DUIQNQDFEOOKGP-AVGNSLFASA-N -1 3 364.464 0.826 10 0 FCAEHM O=S(=O)([N-]Cc1nnnn1CC1CC1)c1cccnc1C(F)(F)F ZINC000561529499 491614204 /nfs/dbraw/zinc/61/42/04/491614204.db2.gz GAEGYXFNVGRUPL-UHFFFAOYSA-N -1 3 362.337 0.975 10 0 FCAEHM COc1ccccc1CCNC(=O)C[N-]S(=O)(=O)c1cscn1 ZINC000577488256 491625802 /nfs/dbraw/zinc/62/58/02/491625802.db2.gz TUJKPASGZYIVKL-UHFFFAOYSA-N -1 3 355.441 0.789 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@H]1CCCN(Cc2nccn2C)C1=O)C1CC1 ZINC000576633689 491631725 /nfs/dbraw/zinc/63/17/25/491631725.db2.gz LPXMILCHKQDBQG-UONOGXRCSA-N -1 3 370.475 0.256 10 0 FCAEHM COc1cccc(CCC(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1OC ZINC000577575894 491633380 /nfs/dbraw/zinc/63/33/80/491633380.db2.gz WVJQJRPPBRORED-SFHVURJKSA-N -1 3 361.398 0.837 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(C(=O)NCC(N)=O)c1)C1CC1 ZINC000577631330 491638374 /nfs/dbraw/zinc/63/83/74/491638374.db2.gz PBGQPZHZMKOVQA-ZDUSSCGKSA-N -1 3 355.416 0.068 10 0 FCAEHM CS(=O)(=O)CCCS(=O)(=O)[N-][C@@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC000562063052 491651504 /nfs/dbraw/zinc/65/15/04/491651504.db2.gz UWFGINNPMMSSTI-OLZOCXBDSA-N -1 3 369.505 0.051 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)c2cn(CC3CC3)nn2)ccc1F ZINC000578605102 491680618 /nfs/dbraw/zinc/68/06/18/491680618.db2.gz UJIKWGSTXBYHRO-UHFFFAOYSA-N -1 3 353.379 0.988 10 0 FCAEHM COc1ccncc1C[N-]S(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000578708099 491682677 /nfs/dbraw/zinc/68/26/77/491682677.db2.gz AHENTPSLAWEEMO-UHFFFAOYSA-N -1 3 368.436 0.899 10 0 FCAEHM CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000579122409 491691442 /nfs/dbraw/zinc/69/14/42/491691442.db2.gz CUUSMJBXLLFMAL-LJISPDSOSA-N -1 3 351.447 0.641 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1C(F)(F)F)NC1(CO)CC1 ZINC000579234802 491693764 /nfs/dbraw/zinc/69/37/64/491693764.db2.gz ORFGVQHHPJMQPE-UHFFFAOYSA-N -1 3 352.334 0.625 10 0 FCAEHM CN(CCN1CCCC1)C(=O)C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000579473947 491698537 /nfs/dbraw/zinc/69/85/37/491698537.db2.gz VLFQRMOGNIJLFL-SJORKVTESA-N -1 3 373.453 0.867 10 0 FCAEHM C[C@@H]1Oc2ccccc2N(CC(=O)N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)C1=O ZINC000584668220 491709823 /nfs/dbraw/zinc/70/98/23/491709823.db2.gz PRHQPDGEQNRXPV-WCQYABFASA-N -1 3 370.413 0.705 10 0 FCAEHM CCOC(=O)[C@@](C)(O)C[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000580860914 491749485 /nfs/dbraw/zinc/74/94/85/491749485.db2.gz NLXXRWMVZIBPOG-AWEZNQCLSA-N -1 3 363.388 0.275 10 0 FCAEHM C[C@@H](c1nnnn1C)S(=O)(=O)c1nnc([N-]c2ccccc2)s1 ZINC000581231121 491765028 /nfs/dbraw/zinc/76/50/28/491765028.db2.gz NBCHBRBJVPDKBW-QMMMGPOBSA-N -1 3 351.417 1.340 10 0 FCAEHM CCOC(=O)C[C@@H](CO)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000590383688 491774641 /nfs/dbraw/zinc/77/46/41/491774641.db2.gz BXLYHNITBYSFQW-GXTWGEPZSA-N -1 3 364.398 0.427 10 0 FCAEHM CCOC(=O)C[C@H](CO)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000590383691 491774760 /nfs/dbraw/zinc/77/47/60/491774760.db2.gz BXLYHNITBYSFQW-TZMCWYRMSA-N -1 3 364.398 0.427 10 0 FCAEHM CC(C)(C)OC(=O)[C@](C)(O)C[N-]S(=O)(=O)CCC[C@@H]1CCOC1 ZINC000592045696 491829212 /nfs/dbraw/zinc/82/92/12/491829212.db2.gz CMOCQZLFPUFYBB-IUODEOHRSA-N -1 3 351.465 0.815 10 0 FCAEHM COc1cc(NC(=O)C[N-]S(=O)(=O)C[C@@H](OC)C2CC2)cc(OC)c1 ZINC000582484326 491814640 /nfs/dbraw/zinc/81/46/40/491814640.db2.gz IFBITIWCLYYNJR-OAHLLOKOSA-N -1 3 372.443 0.987 10 0 FCAEHM COC(=O)[C@@H](CC(C)(C)C)[N-]S(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC000592073546 491830284 /nfs/dbraw/zinc/83/02/84/491830284.db2.gz GTLAHMIVHDVENR-VXGBXAGGSA-N -1 3 369.505 0.708 10 0 FCAEHM COC(=O)[C@@H](CC(C)(C)C)[N-]S(=O)(=O)CCCN1CCOCC1 ZINC000592076369 491830460 /nfs/dbraw/zinc/83/04/60/491830460.db2.gz YYSKSUWUKIUETB-CYBMUJFWSA-N -1 3 350.481 0.606 10 0 FCAEHM COC(=O)c1csc(S(=O)(=O)[N-]CC(C)(C)[C@]2(O)CCOC2)c1 ZINC000592088509 491831208 /nfs/dbraw/zinc/83/12/08/491831208.db2.gz XTWSRRWQHJMGGL-AWEZNQCLSA-N -1 3 363.457 0.991 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C(=O)OC)c2ccnn2C)c(C)o1 ZINC000592091308 491831486 /nfs/dbraw/zinc/83/14/86/491831486.db2.gz IOAJIGZSWMWZFX-GFCCVEGCSA-N -1 3 371.371 0.301 10 0 FCAEHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C1CC1)C1COC1 ZINC000583675145 491849870 /nfs/dbraw/zinc/84/98/70/491849870.db2.gz CTPBDTXJZXSHRJ-UHFFFAOYSA-N -1 3 360.457 0.537 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)nc1=N ZINC000584117986 491859081 /nfs/dbraw/zinc/85/90/81/491859081.db2.gz BYLSFHULDUVAHH-AVGNSLFASA-N -1 3 374.445 0.456 10 0 FCAEHM C[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)C[C@@H]1C(=O)[O-] ZINC000584291418 491862413 /nfs/dbraw/zinc/86/24/13/491862413.db2.gz PIZWHFGFUSMYLH-ILXRZTDVSA-N -1 3 369.462 0.125 10 0 FCAEHM COC(=O)C[C@@H](C[N-]S(=O)(=O)c1csnc1C(=O)OC)C1CC1 ZINC000594861489 491867792 /nfs/dbraw/zinc/86/77/92/491867792.db2.gz PCDFUOJAHZMGLK-VIFPVBQESA-N -1 3 362.429 0.797 10 0 FCAEHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCC[C@@](CO)(OC)C1 ZINC000595125843 491886247 /nfs/dbraw/zinc/88/62/47/491886247.db2.gz UJPNKAORXANNCX-OAHLLOKOSA-N -1 3 356.400 0.473 10 0 FCAEHM CCOc1c(OC)cc(CNC(=O)CN2CC(=O)[N-]C2=O)cc1OC ZINC000600979020 491891412 /nfs/dbraw/zinc/89/14/12/491891412.db2.gz PXPVSVRIQNHFJE-UHFFFAOYSA-N -1 3 351.359 0.271 10 0 FCAEHM CCN1C[C@@H](S(=O)(=O)[N-][C@H](CC(=O)OC)c2cccs2)CC1=O ZINC000601297895 491902257 /nfs/dbraw/zinc/90/22/57/491902257.db2.gz GBLGVAPMUBHXBM-WDEREUQCSA-N -1 3 360.457 0.893 10 0 FCAEHM CCN1C[C@H](S(=O)(=O)[N-][C@H](CC(=O)OC)c2cccs2)CC1=O ZINC000601297892 491902260 /nfs/dbraw/zinc/90/22/60/491902260.db2.gz GBLGVAPMUBHXBM-GHMZBOCLSA-N -1 3 360.457 0.893 10 0 FCAEHM COC(=O)[C@H](CC(C)(C)C)[N-]S(=O)(=O)CCCN1CCN(C)CC1 ZINC000601451416 491921193 /nfs/dbraw/zinc/92/11/93/491921193.db2.gz BIKLZDHLHQUNQQ-AWEZNQCLSA-N -1 3 363.524 0.521 10 0 FCAEHM CCS(=O)(=O)C1(C[N-]S(=O)(=O)[C@H]2CCCC[C@H]2C(=O)OC)CC1 ZINC000595363587 491924193 /nfs/dbraw/zinc/92/41/93/491924193.db2.gz HFBYQBANQJJNJW-NEPJUHHUSA-N -1 3 367.489 0.605 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-][C@@H]2c3ccccc3CN(C)C2=O)CC1 ZINC000601473674 491925718 /nfs/dbraw/zinc/92/57/18/491925718.db2.gz IVQPBCFNUHUSHG-CYBMUJFWSA-N -1 3 352.412 0.572 10 0 FCAEHM COC(=O)CCN1CCC[C@@H](N2CCC(c3n[nH]c(=O)[n-]3)CC2)C1=O ZINC000595465062 491933402 /nfs/dbraw/zinc/93/34/02/491933402.db2.gz MZQXHPIVZUXZPQ-GFCCVEGCSA-N -1 3 351.407 0.244 10 0 FCAEHM COC(=O)Cc1ccc(S(=O)(=O)N2CCc3c(nc[n-]c3=O)C2)cc1 ZINC000613483865 491983392 /nfs/dbraw/zinc/98/33/92/491983392.db2.gz UTVDSWWUXXGMEI-UHFFFAOYSA-N -1 3 363.395 0.645 10 0 FCAEHM COC(=O)[C@@H]1CCS(=O)(=O)N1Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000596309666 491983856 /nfs/dbraw/zinc/98/38/56/491983856.db2.gz ROBWFYCIASZKMY-ZDUSSCGKSA-N -1 3 363.395 0.926 10 0 FCAEHM CCOC(=O)c1cc(-c2cc(OC)c(S(N)(=O)=O)cc2OC)[n-]n1 ZINC000596646324 491993724 /nfs/dbraw/zinc/99/37/24/491993724.db2.gz QMNCZIGIBKZKEL-UHFFFAOYSA-N -1 3 355.372 0.918 10 0 FCAEHM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC[C@@H]1CN2CCN1CCC2 ZINC000614508770 492035601 /nfs/dbraw/zinc/03/56/01/492035601.db2.gz YEUKDCUZOSBPCH-CQSZACIVSA-N -1 3 358.446 0.100 10 0 FCAEHM CCOC(=O)CN(CC)C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000604267907 492055924 /nfs/dbraw/zinc/05/59/24/492055924.db2.gz RSSUJJHWBNMEJJ-NSHDSACASA-N -1 3 360.407 0.904 10 0 FCAEHM C[C@@H](NC(=O)c1nnn(C(C)(C)C)n1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000614822209 492057798 /nfs/dbraw/zinc/05/77/98/492057798.db2.gz KRZCTGNBILVSFB-NXEZZACHSA-N -1 3 361.406 0.922 10 0 FCAEHM COC(=O)c1ncoc1CCC(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000597672898 492057809 /nfs/dbraw/zinc/05/78/09/492057809.db2.gz ZGXRAZUTJJRGJP-UHFFFAOYSA-N -1 3 374.353 0.929 10 0 FCAEHM O=C(N[C@H]1CCN(CCN2CCOCC2)C1)c1cc(=O)c2ccccc2[n-]1 ZINC000604371017 492058435 /nfs/dbraw/zinc/05/84/35/492058435.db2.gz GPQCSYFPBDUVNF-HNNXBMFYSA-N -1 3 370.453 0.664 10 0 FCAEHM O=C(CN1CC[C@H](c2ccccc2)NC1=O)NCCCc1cc(=O)[nH][n-]1 ZINC000614922791 492064513 /nfs/dbraw/zinc/06/45/13/492064513.db2.gz PWNIQQOMQBYTPK-OAHLLOKOSA-N -1 3 357.414 0.915 10 0 FCAEHM COc1ccc([C@@H]2[C@@H](C(=O)[N-]c3nnc4[nH]cnn34)CC(=O)N2C)cc1 ZINC000614990911 492067659 /nfs/dbraw/zinc/06/76/59/492067659.db2.gz JFINAUIIIPRQDM-WCQYABFASA-N -1 3 355.358 0.619 10 0 FCAEHM CC(=O)c1ccc(C(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)cc1[O-] ZINC000615049870 492070099 /nfs/dbraw/zinc/07/00/99/492070099.db2.gz VOPXUEAMCXPTEI-UHFFFAOYSA-N -1 3 369.443 0.549 10 0 FCAEHM COC(=O)[C@@H]1CCN(C(=O)CC[C@@H]2NC(=O)[N-]C2=O)[C@H]2CCCC[C@H]12 ZINC000598165052 492086927 /nfs/dbraw/zinc/08/69/27/492086927.db2.gz BQOXBIFKTYDYMF-NDBYEHHHSA-N -1 3 351.403 0.555 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](CC(=O)OC)C2CC2)c(C)o1 ZINC000598277942 492092283 /nfs/dbraw/zinc/09/22/83/492092283.db2.gz QUPJGBHRROTUOV-NSHDSACASA-N -1 3 358.416 0.815 10 0 FCAEHM COC(=O)[C@](C)(CCF)NC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000598285857 492093284 /nfs/dbraw/zinc/09/32/84/492093284.db2.gz PTTKLDCGNOCIBU-IRXDYDNUSA-N -1 3 365.361 0.762 10 0 FCAEHM CCCc1ccc([C@H](C)N(CC(N)=O)C(=O)CN2CC(=O)[N-]C2=O)cc1 ZINC000605504397 492096497 /nfs/dbraw/zinc/09/64/97/492096497.db2.gz ZGPRIJOGOWWSTG-LBPRGKRZSA-N -1 3 360.414 0.566 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1 ZINC000605512373 492096878 /nfs/dbraw/zinc/09/68/78/492096878.db2.gz LNOQULSOBQTVIN-NSHDSACASA-N -1 3 351.334 0.874 10 0 FCAEHM COC(=O)c1cc(C(=O)[N-]c2ccn(CC(=O)OC(C)(C)C)n2)on1 ZINC000598545189 492104088 /nfs/dbraw/zinc/10/40/88/492104088.db2.gz FUWADZDMGQRGEY-UHFFFAOYSA-N -1 3 350.331 1.252 10 0 FCAEHM O=C(NC[C@H](O)C1CCOCC1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000605889586 492104887 /nfs/dbraw/zinc/10/48/87/492104887.db2.gz QCMMFZUGBQTFHA-WBVHZDCISA-N -1 3 362.426 0.901 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)c2ccc3c(c2)NC(=O)CS3)[n-]1 ZINC000615916944 492106882 /nfs/dbraw/zinc/10/68/82/492106882.db2.gz IAEFSRPAPHQHKY-UHFFFAOYSA-N -1 3 361.383 0.956 10 0 FCAEHM CCOC(=O)c1ccc2c(c1)N(Cc1cc(=O)n3nc(N)[n-]c3n1)CCO2 ZINC000598611958 492108677 /nfs/dbraw/zinc/10/86/77/492108677.db2.gz WXMLQRZVJUBOEB-UHFFFAOYSA-N -1 3 370.369 0.406 10 0 FCAEHM C[C@@H]1CCN(Cc2cc(=O)n3nc(N)[n-]c3n2)C[C@H]1C(=O)OC(C)(C)C ZINC000598624954 492109794 /nfs/dbraw/zinc/10/97/94/492109794.db2.gz MLRDUBBUEAONFR-ZYHUDNBSSA-N -1 3 362.434 0.630 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCC(c2cc(-c3ccncc3)n[nH]2)CC1 ZINC000616048853 492115646 /nfs/dbraw/zinc/11/56/46/492115646.db2.gz JWMACASTQXVQFJ-UHFFFAOYSA-N -1 3 368.397 0.730 10 0 FCAEHM COC(=O)C[C@@H](CNC(=O)C[N-]S(=O)(=O)c1c(C)noc1C)C1CC1 ZINC000598772466 492117401 /nfs/dbraw/zinc/11/74/01/492117401.db2.gz BFMGZMHNXZPIIT-LBPRGKRZSA-N -1 3 373.431 0.275 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)NC(C)(C)C(F)(F)F)cn1C ZINC000616204419 492120933 /nfs/dbraw/zinc/12/09/33/492120933.db2.gz VTOAQTOQWIOCLA-UHFFFAOYSA-N -1 3 356.370 0.854 10 0 FCAEHM COC(=O)CC1(CS(=O)(=O)[N-][C@@H]2c3ccccc3CN(C)C2=O)CC1 ZINC000598939558 492126122 /nfs/dbraw/zinc/12/61/22/492126122.db2.gz LDVBXNJTRHHGKY-OAHLLOKOSA-N -1 3 366.439 0.962 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]C[C@](C)(O)CCOC)on1 ZINC000599240062 492147370 /nfs/dbraw/zinc/14/73/70/492147370.db2.gz FZKJEXOQPYKWLJ-CYBMUJFWSA-N -1 3 350.393 0.058 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H]2C[C@@H](C)N(C3CC3)C2)on1 ZINC000599258495 492150207 /nfs/dbraw/zinc/15/02/07/492150207.db2.gz HDLCBJUAJNOBSA-GHMZBOCLSA-N -1 3 357.432 0.896 10 0 FCAEHM COC[C@@H](CCNC(=O)CNC(=O)c1c[n-]c2ccccc2c1=O)OC ZINC000617232898 492160618 /nfs/dbraw/zinc/16/06/18/492160618.db2.gz KCNXEXIBXYYETE-GFCCVEGCSA-N -1 3 361.398 0.426 10 0 FCAEHM Cn1c(NC(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)nnc1C1CC1 ZINC000617289817 492163293 /nfs/dbraw/zinc/16/32/93/492163293.db2.gz ZRBFQKAFVPGEPH-UHFFFAOYSA-N -1 3 366.381 0.903 10 0 FCAEHM COC[C@@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)C1CCOCC1 ZINC000617375582 492166066 /nfs/dbraw/zinc/16/60/66/492166066.db2.gz ZFOQVFPSVFZZSO-GFCCVEGCSA-N -1 3 362.473 0.584 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(Cc3cnc(C(=O)OC)cn3)CC2)n[n-]1 ZINC000599386445 492166242 /nfs/dbraw/zinc/16/62/42/492166242.db2.gz UDELUOXWFQMOQQ-UHFFFAOYSA-N -1 3 374.401 0.938 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(Cc3cnc(C(=O)OC)cn3)CC2)[n-]1 ZINC000599386445 492166244 /nfs/dbraw/zinc/16/62/44/492166244.db2.gz UDELUOXWFQMOQQ-UHFFFAOYSA-N -1 3 374.401 0.938 10 0 FCAEHM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](O)[C@H]2CCCO2)c(F)c1 ZINC000599392381 492167170 /nfs/dbraw/zinc/16/71/70/492167170.db2.gz SEMHBZANAPQNTG-QWHCGFSZSA-N -1 3 361.391 0.821 10 0 FCAEHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@H](O)[C@H]2CCCO2)c1 ZINC000599392465 492167221 /nfs/dbraw/zinc/16/72/21/492167221.db2.gz SVLLPZJYOOQBEP-UONOGXRCSA-N -1 3 361.391 0.821 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCc1nnnn1C1CC1 ZINC000608197384 492168253 /nfs/dbraw/zinc/16/82/53/492168253.db2.gz ITGZTUPWRIOIRF-UHFFFAOYSA-N -1 3 354.374 0.803 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@H]1C[C@H](C)n2ncnc21 ZINC000617432514 492168280 /nfs/dbraw/zinc/16/82/80/492168280.db2.gz HOZYYFAMWHRKOC-GUBZILKMSA-N -1 3 355.445 0.829 10 0 FCAEHM C[C@@H]1C[C@H](NC(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)c2ncnn21 ZINC000617443191 492168417 /nfs/dbraw/zinc/16/84/17/492168417.db2.gz WNMXSHQZQRCMIU-ZPQPFTAQSA-N -1 3 354.370 0.769 10 0 FCAEHM COC(=O)[C@H](Cc1cccc(OC)c1)[N-]S(=O)(=O)N1CCCOCC1 ZINC000599402784 492168478 /nfs/dbraw/zinc/16/84/78/492168478.db2.gz GADSVCLJDOCRRP-HNNXBMFYSA-N -1 3 372.443 0.336 10 0 FCAEHM COCCN(C)S(=O)(=O)[N-][C@@H](Cc1cccc(OC)c1)C(=O)OC ZINC000599405203 492168819 /nfs/dbraw/zinc/16/88/19/492168819.db2.gz RWPOWDBWTPZZHB-AWEZNQCLSA-N -1 3 360.432 0.192 10 0 FCAEHM COC(=O)[C@H](Cc1cccc(OC)c1)[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000599404874 492169140 /nfs/dbraw/zinc/16/91/40/492169140.db2.gz POBCSMJSHRMIIA-AWEZNQCLSA-N -1 3 367.427 0.800 10 0 FCAEHM COC(=O)[C@@]1([N-]S(=O)(=O)CCCS(C)(=O)=O)CCCC(C)(C)C1 ZINC000599413755 492170410 /nfs/dbraw/zinc/17/04/10/492170410.db2.gz UADMVIVDMYUIBB-CQSZACIVSA-N -1 3 369.505 0.853 10 0 FCAEHM COC(=O)CCN(C)S(=O)(=O)[N-][C@]1(C(=O)OC)CCCC(C)(C)C1 ZINC000599411615 492170421 /nfs/dbraw/zinc/17/04/21/492170421.db2.gz HZNCDFWAJNHAAI-OAHLLOKOSA-N -1 3 364.464 0.828 10 0 FCAEHM CCN(CC)CCS(=O)(=O)[N-][C@H](C[C@@H]1CCCOC1)C(=O)OC ZINC000599455663 492174859 /nfs/dbraw/zinc/17/48/59/492174859.db2.gz FCVWRHAQXZTPRY-UONOGXRCSA-N -1 3 350.481 0.606 10 0 FCAEHM COC(=O)CCNC(=O)CC[N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C ZINC000599476630 492178122 /nfs/dbraw/zinc/17/81/22/492178122.db2.gz CUQOKCCOOYUTIU-NSHDSACASA-N -1 3 372.447 0.128 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@H]2CCN(C3CCC3)C2=O)on1 ZINC000599523545 492183420 /nfs/dbraw/zinc/18/34/20/492183420.db2.gz AVONHYBOAYDQCO-LBPRGKRZSA-N -1 3 371.415 0.424 10 0 FCAEHM COC(=O)c1nscc1S(=O)(=O)[N-][C@H]1CCN(C2CCC2)C1=O ZINC000599524766 492183428 /nfs/dbraw/zinc/18/34/28/492183428.db2.gz ATWUQIVQFDJVBD-VIFPVBQESA-N -1 3 359.429 0.361 10 0 FCAEHM COC(=O)c1csc(S(=O)(=O)[N-][C@H]2CCN(C3CCC3)C2=O)c1 ZINC000599524811 492183556 /nfs/dbraw/zinc/18/35/56/492183556.db2.gz CQDAVJJGNMMACS-NSHDSACASA-N -1 3 358.441 0.966 10 0 FCAEHM CO[C@@]1(CO)CCCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000617793360 492191761 /nfs/dbraw/zinc/19/17/61/492191761.db2.gz XTBYXLOUCSJWRQ-LRDDRELGSA-N -1 3 374.434 0.492 10 0 FCAEHM COc1ncc(NC(=O)CN2CC(=O)[N-]C2=O)c(C)c1Br ZINC000617894419 492204252 /nfs/dbraw/zinc/20/42/52/492204252.db2.gz CXNLPVJTLQPTMQ-UHFFFAOYSA-N -1 3 357.164 0.651 10 0 FCAEHM CCn1cc(CNC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)nn1 ZINC000618153125 492213195 /nfs/dbraw/zinc/21/31/95/492213195.db2.gz IOARMXKOMYHYKM-JTQLQIEISA-N -1 3 355.395 0.420 10 0 FCAEHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)OC)C1 ZINC000600045205 492236854 /nfs/dbraw/zinc/23/68/54/492236854.db2.gz GJOTUZQACYKSFN-SCZZXKLOSA-N -1 3 370.383 0.262 10 0 FCAEHM CS(=O)(=O)CC(=O)Nc1cc(I)ccc1[O-] ZINC000610490655 492248504 /nfs/dbraw/zinc/24/85/04/492248504.db2.gz UROAPRQYHQBVPE-UHFFFAOYSA-N -1 3 355.153 0.980 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@H]1C[C@@H](O)C12CCC2 ZINC000619082499 492249839 /nfs/dbraw/zinc/24/98/39/492249839.db2.gz SXLSDBOYWLSUIP-LEWSCRJBSA-N -1 3 356.419 0.912 10 0 FCAEHM COC(=O)c1cccc(NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)c1C ZINC000610676364 492257843 /nfs/dbraw/zinc/25/78/43/492257843.db2.gz YEORLPKQYPEXRO-UHFFFAOYSA-N -1 3 366.399 0.432 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)Nc1cnn(CCO)c1 ZINC000610699371 492259100 /nfs/dbraw/zinc/25/91/00/492259100.db2.gz NHNBLTVMMPEJAE-UHFFFAOYSA-N -1 3 366.399 0.999 10 0 FCAEHM CCOC(=O)c1ncc(NC(=O)c2ccnc(N3CCN(C)CC3)c2)[n-]1 ZINC000619445990 492263299 /nfs/dbraw/zinc/26/32/99/492263299.db2.gz GFAQOWYKBYMIRL-UHFFFAOYSA-N -1 3 358.402 0.986 10 0 FCAEHM CCOC(=O)c1nc(NC(=O)c2ccnc(N3CCN(C)CC3)c2)c[n-]1 ZINC000619445990 492263301 /nfs/dbraw/zinc/26/33/01/492263301.db2.gz GFAQOWYKBYMIRL-UHFFFAOYSA-N -1 3 358.402 0.986 10 0 FCAEHM CCOC(=O)c1ncc(NC(=O)c2cccc(N3CCN(C)CC3)n2)[n-]1 ZINC000619449047 492263607 /nfs/dbraw/zinc/26/36/07/492263607.db2.gz POVOMEWGSWXIGI-UHFFFAOYSA-N -1 3 358.402 0.986 10 0 FCAEHM CCOC(=O)c1nc(NC(=O)c2cccc(N3CCN(C)CC3)n2)c[n-]1 ZINC000619449047 492263609 /nfs/dbraw/zinc/26/36/09/492263609.db2.gz POVOMEWGSWXIGI-UHFFFAOYSA-N -1 3 358.402 0.986 10 0 FCAEHM COC(=O)[C@H](C)Oc1ccc(NC(=O)CN2CC(=O)[N-]C2=O)cc1F ZINC000600349074 492264087 /nfs/dbraw/zinc/26/40/87/492264087.db2.gz WZHPQLLIQQITQO-QMMMGPOBSA-N -1 3 353.306 0.256 10 0 FCAEHM COC(=O)[C@@H](C)Oc1ccc(NC(=O)CN2CC(=O)[N-]C2=O)cc1F ZINC000600349068 492264168 /nfs/dbraw/zinc/26/41/68/492264168.db2.gz WZHPQLLIQQITQO-MRVPVSSYSA-N -1 3 353.306 0.256 10 0 FCAEHM COC(=O)C[C@H](O)CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000600462273 492271768 /nfs/dbraw/zinc/27/17/68/492271768.db2.gz XYUHEPIXGALYLJ-WCQYABFASA-N -1 3 350.371 0.037 10 0 FCAEHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000611511298 492289244 /nfs/dbraw/zinc/28/92/44/492289244.db2.gz SEEDEECYBDTHES-GMTAPVOTSA-N -1 3 370.427 0.916 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)N1CC[C@H]2COC[C@@H]2C1 ZINC000620149632 492295887 /nfs/dbraw/zinc/29/58/87/492295887.db2.gz CHQNKQVPPMPINH-STQMWFEESA-N -1 3 355.394 0.753 10 0 FCAEHM CN(CCN(C)C1CC1)C(=O)C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000647505037 492300109 /nfs/dbraw/zinc/30/01/09/492300109.db2.gz BTJJXQFVZVDFOU-SJORKVTESA-N -1 3 373.453 0.866 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)NCC2(O)CCC(F)(F)CC2)cn1 ZINC000620320262 492302621 /nfs/dbraw/zinc/30/26/21/492302621.db2.gz AJDSANXAOCRULI-UHFFFAOYSA-N -1 3 363.386 0.660 10 0 FCAEHM CO[C@H]1CN(C(=O)CCNC(=O)c2ccc(C)cc2[O-])[C@@](C)(CO)C1 ZINC000634070665 492319346 /nfs/dbraw/zinc/31/93/46/492319346.db2.gz QWIJRACDDNPKOF-FZKQIMNGSA-N -1 3 350.415 0.819 10 0 FCAEHM CN(C[C@@H]1CCc2ccccc21)C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000620685665 492324208 /nfs/dbraw/zinc/32/42/08/492324208.db2.gz FZZPPFODCWMDDE-AWEZNQCLSA-N -1 3 362.455 0.887 10 0 FCAEHM CC[C@H](C)c1cccc(NC(=O)C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)c1 ZINC000627527958 492333119 /nfs/dbraw/zinc/33/31/19/492333119.db2.gz VJYHHRPEHDRHAU-SMDDNHRTSA-N -1 3 358.398 0.901 10 0 FCAEHM C[C@H](c1cccc(F)c1)N1CCN(Cc2cc(=O)n3nc(N)[n-]c3n2)CC1 ZINC000621268858 492367507 /nfs/dbraw/zinc/36/75/07/492367507.db2.gz AOUZIMRLQZNTPY-GFCCVEGCSA-N -1 3 371.420 0.848 10 0 FCAEHM CC(C)[C@@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)C1(CO)CC=CC1 ZINC000655176958 492409941 /nfs/dbraw/zinc/40/99/41/492409941.db2.gz UVMXNOZZMFASMI-OAHLLOKOSA-N -1 3 370.475 0.168 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N[C@H](C2CC2)[C@H]2CCCCO2)c1 ZINC000655224787 492416735 /nfs/dbraw/zinc/41/67/35/492416735.db2.gz XDIAGUGJQGWANS-IUODEOHRSA-N -1 3 356.448 0.162 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@@H](C2CC2)[C@@H]2CCCCO2)cn1C ZINC000655226621 492416776 /nfs/dbraw/zinc/41/67/76/492416776.db2.gz UYOOPKQENKPXRN-BBRMVZONSA-N -1 3 370.475 0.471 10 0 FCAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3CCN(C)S3(=O)=O)cc2)n1 ZINC000648258904 492419218 /nfs/dbraw/zinc/41/92/18/492419218.db2.gz LDNCJDGFAGOAHU-ZDUSSCGKSA-N -1 3 362.411 0.718 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)NC1CC(N2CCOCC2)C1 ZINC000627930230 492421785 /nfs/dbraw/zinc/42/17/85/492421785.db2.gz WODCTXWMSZZTKG-UHFFFAOYSA-N -1 3 359.473 0.006 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCN(CCCF)CC1 ZINC000627955950 492426487 /nfs/dbraw/zinc/42/64/87/492426487.db2.gz JNKQTOVIUDHBIT-LBPRGKRZSA-N -1 3 363.480 0.919 10 0 FCAEHM CC[C@H](NC(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1)[C@H]1CCCCO1 ZINC000655344596 492436735 /nfs/dbraw/zinc/43/67/35/492436735.db2.gz KQXPXGPKFZKHKN-UONOGXRCSA-N -1 3 372.491 0.861 10 0 FCAEHM CC[C@@H](NC(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1)[C@H]1CCCCO1 ZINC000655344597 492437011 /nfs/dbraw/zinc/43/70/11/492437011.db2.gz KQXPXGPKFZKHKN-ZIAGYGMSSA-N -1 3 372.491 0.861 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CC(c3ccccc3F)C2)cn1C ZINC000643326863 492438993 /nfs/dbraw/zinc/43/89/93/492438993.db2.gz HOIOSPHHFWRDHI-UHFFFAOYSA-N -1 3 366.418 0.772 10 0 FCAEHM C[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)CC2(CCCCC2)O1 ZINC000655383365 492439516 /nfs/dbraw/zinc/43/95/16/492439516.db2.gz ORBUGIHJSZHKLK-CYBMUJFWSA-N -1 3 370.475 0.649 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[C@@H](O)CC23CCC3)cn1C ZINC000622113212 492454878 /nfs/dbraw/zinc/45/48/78/492454878.db2.gz QNIIIKPHOJMFEP-CYBMUJFWSA-N -1 3 370.475 0.303 10 0 FCAEHM Cc1c(Br)cccc1CS(=O)(=O)[N-]Cc1nnn(C)n1 ZINC000655577123 492458946 /nfs/dbraw/zinc/45/89/46/492458946.db2.gz WAXSAKLNXVAUFP-UHFFFAOYSA-N -1 3 360.237 0.901 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CC[C@H](C)[C@H](CO)C1 ZINC000622222906 492466253 /nfs/dbraw/zinc/46/62/53/492466253.db2.gz CTLNKDHBVASWPP-AVGNSLFASA-N -1 3 358.435 0.969 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCC[C@H]1CC1(F)F ZINC000622204487 492466569 /nfs/dbraw/zinc/46/65/69/492466569.db2.gz XBWUJASVDNJNIR-LURJTMIESA-N -1 3 352.135 0.873 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)N1CC(F)(F)C[C@H]1CO ZINC000648871194 492468949 /nfs/dbraw/zinc/46/89/49/492468949.db2.gz ABVHNMVZDBMJGK-VIFPVBQESA-N -1 3 352.334 0.333 10 0 FCAEHM CCn1c(=O)[n-]c(=O)c2c(C(=O)N3CC(C)(C(N)=O)C3)cc(C(C)C)nc21 ZINC000648953080 492478812 /nfs/dbraw/zinc/47/88/12/492478812.db2.gz CEDNHFYPQBVDKA-UHFFFAOYSA-N -1 3 373.413 0.588 10 0 FCAEHM Cn1cnc(CCCNC(=O)c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)n1 ZINC000648986153 492481561 /nfs/dbraw/zinc/48/15/61/492481561.db2.gz WXJHBXKUUWSJHM-QGZVFWFLSA-N -1 3 356.386 0.232 10 0 FCAEHM C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000649080101 492495163 /nfs/dbraw/zinc/49/51/63/492495163.db2.gz QLEWVAHFGHEPFH-GFCCVEGCSA-N -1 3 368.459 0.250 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCC(C)(C)[C@]2(O)CCOC2)c(C)o1 ZINC000649091010 492497758 /nfs/dbraw/zinc/49/77/58/492497758.db2.gz OSGKFQJYMSPXLD-HNNXBMFYSA-N -1 3 360.432 0.404 10 0 FCAEHM CC(C)(CNC(=O)C[N-]S(=O)(=O)c1cccs1)[C@@]1(O)CCOC1 ZINC000649094759 492498650 /nfs/dbraw/zinc/49/86/50/492498650.db2.gz GYHBSFFTXFNHOZ-CQSZACIVSA-N -1 3 362.473 0.320 10 0 FCAEHM CC(C)[C@H](CNC(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C)C(=O)[O-] ZINC000655982611 492503590 /nfs/dbraw/zinc/50/35/90/492503590.db2.gz XGFYICZMSPAVPD-CVEARBPZSA-N -1 3 363.458 0.749 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CN(C)C(=O)[C@@H]1C ZINC000649159582 492506583 /nfs/dbraw/zinc/50/65/83/492506583.db2.gz QNFMJZOUUIGZLU-LBPRGKRZSA-N -1 3 355.398 0.720 10 0 FCAEHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCS(=O)(=O)[C@@H]2CCC[C@H]21 ZINC000643646978 492514435 /nfs/dbraw/zinc/51/44/35/492514435.db2.gz YCWJAORJBXAQTR-CHWSQXEVSA-N -1 3 363.395 0.754 10 0 FCAEHM CC1(C(=O)CNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)CCCC1 ZINC000628998343 492573678 /nfs/dbraw/zinc/57/36/78/492573678.db2.gz DZZPHGWZWXGOJU-UHFFFAOYSA-N -1 3 372.219 0.977 10 0 FCAEHM NS(=O)(=O)NC1CCN(C(=O)c2cc([O-])ccc2C(F)(F)F)CC1 ZINC000629188968 492589551 /nfs/dbraw/zinc/58/95/51/492589551.db2.gz SFNWCWHTPLZHFH-UHFFFAOYSA-N -1 3 367.349 0.809 10 0 FCAEHM CN(C(=O)CC[N-]S(=O)(=O)c1ccccc1F)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629215349 492592453 /nfs/dbraw/zinc/59/24/53/492592453.db2.gz FMBYVEFMCIKCKS-PHIMTYICSA-N -1 3 357.407 0.216 10 0 FCAEHM CC(=O)Nc1ccc(S(=O)(=O)[N-]C[C@H]2CCCCN2CCO)c(F)c1 ZINC000650067827 492611242 /nfs/dbraw/zinc/61/12/42/492611242.db2.gz VFJOPPMDWFAWJG-CQSZACIVSA-N -1 3 373.450 0.909 10 0 FCAEHM Cn1cc(C(=O)N2CCN(Cc3cc4ccccc4[nH]3)CC2)c(=O)[n-]c1=O ZINC000629385300 492618654 /nfs/dbraw/zinc/61/86/54/492618654.db2.gz MNYCHLZQGMJQBE-UHFFFAOYSA-N -1 3 367.409 0.925 10 0 FCAEHM CN(C)Cc1ccc(S(=O)(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1 ZINC000656562565 492633610 /nfs/dbraw/zinc/63/36/10/492633610.db2.gz SUBSWRDWHSZZHM-CZUORRHYSA-N -1 3 354.428 0.470 10 0 FCAEHM CC(C)CN1CCO[C@H](CNC(=O)CN2CC[C@H](C(=O)[O-])[C@@H](C)C2)C1 ZINC000629496438 492636124 /nfs/dbraw/zinc/63/61/24/492636124.db2.gz TWMWAMLPWDLJJC-XHSDSOJGSA-N -1 3 355.479 0.502 10 0 FCAEHM Cn1nccc1[C@@H]1COCCN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000650380858 492637056 /nfs/dbraw/zinc/63/70/56/492637056.db2.gz FOXJHYKYYLAKFR-AWEZNQCLSA-N -1 3 355.354 0.909 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@H](C)C(=O)Nc1ccccc1)[C@H]1CCOC1 ZINC000656900700 492663136 /nfs/dbraw/zinc/66/31/36/492663136.db2.gz IQNVZDSOSDRTNM-VNHYZAJKSA-N -1 3 356.444 0.985 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@H](c1nc[nH]n1)c1ccccc1)[C@@H]1CCOC1 ZINC000656966096 492681453 /nfs/dbraw/zinc/68/14/53/492681453.db2.gz ALUIYBUTKPRELY-KFWWJZLASA-N -1 3 366.443 0.865 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]C2CCN(S(C)(=O)=O)CC2)c(F)c1F ZINC000624837316 492689465 /nfs/dbraw/zinc/68/94/65/492689465.db2.gz ZVKAYIIHZKXMEN-UHFFFAOYSA-N -1 3 368.427 0.976 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]Cc1ncn(-c2ccccc2)n1)[C@@H]1CCOC1 ZINC000656999466 492690547 /nfs/dbraw/zinc/69/05/47/492690547.db2.gz ZRNPBTXTDYROCE-UKRRQHHQSA-N -1 3 366.443 0.738 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-][C@@H](C)C(=O)Nc1cccnc1C)[C@@H]1CCOC1 ZINC000657009989 492692741 /nfs/dbraw/zinc/69/27/41/492692741.db2.gz MHPXRBUSQLGOAV-GUTXKFCHSA-N -1 3 371.459 0.688 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]Cc1nccc(C(F)(F)F)n1)[C@H]1CCOC1 ZINC000657013476 492693797 /nfs/dbraw/zinc/69/37/97/492693797.db2.gz UNXXRKJFMOIENT-VHSXEESVSA-N -1 3 369.365 0.966 10 0 FCAEHM CNS(=O)(=O)C[C@@H]1CCCN(C(=O)c2ccc(C(C)=O)c([O-])c2)C1 ZINC000629893954 492697794 /nfs/dbraw/zinc/69/77/94/492697794.db2.gz UZJODVCSKLEMQY-GFCCVEGCSA-N -1 3 354.428 0.996 10 0 FCAEHM COC[C@]1(C)CN(C(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)CCO1 ZINC000629906397 492699377 /nfs/dbraw/zinc/69/93/77/492699377.db2.gz UESJDNDTPXVKEZ-RISCZKNCSA-N -1 3 362.473 0.679 10 0 FCAEHM COC[C@]1(C)CN(C(=O)c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)CCO1 ZINC000629903593 492699650 /nfs/dbraw/zinc/69/96/50/492699650.db2.gz VEWVTAMNBAKVET-ROUUACIJSA-N -1 3 361.398 0.619 10 0 FCAEHM COCCOc1ccc(C[N-]S(=O)(=O)c2c(Cl)cnn2C)nn1 ZINC000657027834 492699895 /nfs/dbraw/zinc/69/98/95/492699895.db2.gz AWASNPHECRVTHN-UHFFFAOYSA-N -1 3 361.811 0.367 10 0 FCAEHM COC1CC(CCNS(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)C1 ZINC000657036782 492701589 /nfs/dbraw/zinc/70/15/89/492701589.db2.gz NJKIPTVOBWSALY-UHFFFAOYSA-N -1 3 368.415 0.128 10 0 FCAEHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1)[C@H]1CCOC1 ZINC000657044433 492702336 /nfs/dbraw/zinc/70/23/36/492702336.db2.gz AMGMPCDUUXFILZ-AAEUAGOBSA-N -1 3 362.473 0.714 10 0 FCAEHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c2ncnn21 ZINC000657066196 492708100 /nfs/dbraw/zinc/70/81/00/492708100.db2.gz JWKSIGIRHNBWAF-UFBFGSQYSA-N -1 3 361.383 0.488 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]CC2(O)CCS(=O)(=O)CC2)c(F)c1F ZINC000625014679 492711481 /nfs/dbraw/zinc/71/14/81/492711481.db2.gz IBBDLPBOLHLUTC-UHFFFAOYSA-N -1 3 369.411 0.491 10 0 FCAEHM Cn1cc(CCN2CCC([N-]S(=O)(=O)c3cccs3)CC2)nn1 ZINC000625051811 492716348 /nfs/dbraw/zinc/71/63/48/492716348.db2.gz NYJSHLAZBNGDSF-UHFFFAOYSA-N -1 3 355.489 0.862 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-]C[C@@H]2CCCS2(=O)=O)CCOCC1 ZINC000625071439 492719369 /nfs/dbraw/zinc/71/93/69/492719369.db2.gz JLXFSLUCOOQLHM-LBPRGKRZSA-N -1 3 355.478 0.069 10 0 FCAEHM COCc1nc(C[N-]S(=O)(=O)c2cccc3c2OCCCO3)n[nH]1 ZINC000657103332 492722273 /nfs/dbraw/zinc/72/22/73/492722273.db2.gz HJXSQECNDIPWIL-UHFFFAOYSA-N -1 3 354.388 0.591 10 0 FCAEHM CCn1cc(C[N-]S(=O)(=O)c2c(OC)cc(OC)cc2OC)nn1 ZINC000657121013 492725600 /nfs/dbraw/zinc/72/56/00/492725600.db2.gz NWRDSBUWFGHAGU-UHFFFAOYSA-N -1 3 356.404 0.802 10 0 FCAEHM CCn1cc(C[N-]S(=O)(=O)c2ccc(S(=O)(=O)CC)cc2)nn1 ZINC000657120494 492725700 /nfs/dbraw/zinc/72/57/00/492725700.db2.gz DTUKVJPRWWLMHC-UHFFFAOYSA-N -1 3 358.445 0.570 10 0 FCAEHM CN(CC1CN(C)C1)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000657123049 492725763 /nfs/dbraw/zinc/72/57/63/492725763.db2.gz PUCXVZWWBCXGAH-UHFFFAOYSA-N -1 3 365.452 0.379 10 0 FCAEHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)CC2(OCC)CCOCC2)[C@H]1OC ZINC000625118404 492727072 /nfs/dbraw/zinc/72/70/72/492727072.db2.gz ITVXWYJZTLEBOE-BFHYXJOUSA-N -1 3 351.465 0.684 10 0 FCAEHM C[C@@H]1CCC[C@H](CNS(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)O1 ZINC000657154238 492733812 /nfs/dbraw/zinc/73/38/12/492733812.db2.gz JHHZAOXFGBKBNT-NXEZZACHSA-N -1 3 368.415 0.270 10 0 FCAEHM COc1ccnc(C[N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)c1F ZINC000657158831 492734419 /nfs/dbraw/zinc/73/44/19/492734419.db2.gz MNOCPLMKVMHMGP-UHFFFAOYSA-N -1 3 365.386 0.994 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@]3(O)C[C@H]3C2)cc1F ZINC000657165151 492735326 /nfs/dbraw/zinc/73/53/26/492735326.db2.gz LBMGTMAMKONNHT-TVQRCGJNSA-N -1 3 364.420 0.343 10 0 FCAEHM COC[C@H](O)C[N-]S(=O)(=O)c1c(OC)cccc1OC(F)(F)F ZINC000625191479 492736688 /nfs/dbraw/zinc/73/66/88/492736688.db2.gz BMHVYYASLDOFGR-MRVPVSSYSA-N -1 3 359.322 0.879 10 0 FCAEHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]Cc3nc(C(N)=O)cs3)cn21 ZINC000657177066 492737425 /nfs/dbraw/zinc/73/74/25/492737425.db2.gz GXIKZMOSCTZYJY-MRVPVSSYSA-N -1 3 355.445 0.814 10 0 FCAEHM O=C1CC[C@@H](CNS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)N1 ZINC000657190555 492739663 /nfs/dbraw/zinc/73/96/63/492739663.db2.gz XIHRMROVCLMRKR-ZETCQYMHSA-N -1 3 356.795 0.077 10 0 FCAEHM O=C1CC[C@@H](CNS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)N1 ZINC000657190555 492739667 /nfs/dbraw/zinc/73/96/67/492739667.db2.gz XIHRMROVCLMRKR-ZETCQYMHSA-N -1 3 356.795 0.077 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-]C[C@H](OC)[C@H]2CCOC2)CCOCC1 ZINC000625273064 492749611 /nfs/dbraw/zinc/74/96/11/492749611.db2.gz KMWGUKQPJFRPHW-KBPBESRZSA-N -1 3 351.465 0.543 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@@H](CO)c1ccnn1C)c1ccc(F)cc1 ZINC000625241866 492744120 /nfs/dbraw/zinc/74/41/20/492744120.db2.gz BDDNFYSSTIXHBK-DZGCQCFKSA-N -1 3 357.407 0.900 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]C[C@H](n1cccn1)C(F)(F)F)[C@H]1CCOC1 ZINC000625326891 492756931 /nfs/dbraw/zinc/75/69/31/492756931.db2.gz BYLIMCVLPHSKRK-TUAOUCFPSA-N -1 3 371.381 0.957 10 0 FCAEHM CC(=O)N1CCc2sc(S(=O)(=O)[N-]C[C@@H](O)[C@H]3CCCO3)cc2C1 ZINC000625384885 492770762 /nfs/dbraw/zinc/77/07/62/492770762.db2.gz YLJHYIUGLGDOHR-CHWSQXEVSA-N -1 3 374.484 0.471 10 0 FCAEHM CC(C)n1cnc(=NC(=O)C(=O)NCc2ccccc2OCCN(C)C)[n-]1 ZINC000651547422 492778569 /nfs/dbraw/zinc/77/85/69/492778569.db2.gz IBNJOFATGXNOFB-UHFFFAOYSA-N -1 3 374.445 0.476 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N2CC(C3CC3)C2)s1 ZINC000644685549 492799043 /nfs/dbraw/zinc/79/90/43/492799043.db2.gz QUPYWIDSAGMDRH-UHFFFAOYSA-N -1 3 371.484 0.531 10 0 FCAEHM CN1CCOC[C@H]1C[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000625516528 492806382 /nfs/dbraw/zinc/80/63/82/492806382.db2.gz BFQUVQDBMQAAGW-LLVKDONJSA-N -1 3 373.862 0.834 10 0 FCAEHM CSc1cc(NC(=O)C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)ccc1C ZINC000651730167 492814383 /nfs/dbraw/zinc/81/43/83/492814383.db2.gz BMBUDDVSPYWZLS-NSHDSACASA-N -1 3 362.411 0.418 10 0 FCAEHM O=C(Nc1cc(C(F)F)ccc1F)C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000651730150 492814851 /nfs/dbraw/zinc/81/48/51/492814851.db2.gz BBOQWUIBDSMKQF-SNVBAGLBSA-N -1 3 370.287 0.464 10 0 FCAEHM Cn1nccc1[C@@H](CO)[N-]S(=O)(=O)c1cccc2c1OCCCO2 ZINC000651737614 492815435 /nfs/dbraw/zinc/81/54/35/492815435.db2.gz LAQDRRVKUOWEAH-LLVKDONJSA-N -1 3 353.400 0.593 10 0 FCAEHM CC(=O)Nc1ncc(S(=O)(=O)[N-]Cc2ncc3c(n2)CCOC3)s1 ZINC000651803355 492826216 /nfs/dbraw/zinc/82/62/16/492826216.db2.gz PAKVSJICZNZSFZ-UHFFFAOYSA-N -1 3 369.428 0.443 10 0 FCAEHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]CC[C@]2(O)CCOC2)s1 ZINC000651839045 492831406 /nfs/dbraw/zinc/83/14/06/492831406.db2.gz SLMHGBLHVRCBCK-HZMBPMFUSA-N -1 3 362.473 0.765 10 0 FCAEHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]CC[C@@]2(O)CCOC2)s1 ZINC000651839046 492831585 /nfs/dbraw/zinc/83/15/85/492831585.db2.gz SLMHGBLHVRCBCK-IINYFYTJSA-N -1 3 362.473 0.765 10 0 FCAEHM Cc1nn2cc(S(=O)(=O)[N-]CC[C@]3(O)CCOC3)cnc2c1Cl ZINC000651839366 492831624 /nfs/dbraw/zinc/83/16/24/492831624.db2.gz CQSGOSDIIMWXAA-ZDUSSCGKSA-N -1 3 360.823 0.511 10 0 FCAEHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC[C@@]2(O)CCOC2)cc1F ZINC000651839221 492831780 /nfs/dbraw/zinc/83/17/80/492831780.db2.gz YKGQVWQGTBDBGX-CYBMUJFWSA-N -1 3 367.420 0.049 10 0 FCAEHM O=S(=O)(Cc1ccon1)[N-]C[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000625617892 492840317 /nfs/dbraw/zinc/84/03/17/492840317.db2.gz CPLIHRXRRBHTOE-OAHLLOKOSA-N -1 3 352.416 0.390 10 0 FCAEHM C[C@@H]1OCC[C@@H]1S(=O)(=O)[N-]CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000625617964 492840740 /nfs/dbraw/zinc/84/07/40/492840740.db2.gz QOKILXXQWGLKOF-HZMBPMFUSA-N -1 3 356.400 0.493 10 0 FCAEHM CN(C)S(=O)(=O)N1CC([N-]S(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000625624834 492845564 /nfs/dbraw/zinc/84/55/64/492845564.db2.gz PJGUILFWKQUZNV-UHFFFAOYSA-N -1 3 371.843 0.248 10 0 FCAEHM CN(C)S(=O)(=O)N1CC([N-]S(=O)(=O)c2cc(F)ccc2Cl)C1 ZINC000625625483 492846749 /nfs/dbraw/zinc/84/67/49/492846749.db2.gz YLMXRKBJNYVDMQ-UHFFFAOYSA-N -1 3 371.843 0.248 10 0 FCAEHM CN(Cc1ccccc1)C(=O)C[N-]S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000631775618 492851376 /nfs/dbraw/zinc/85/13/76/492851376.db2.gz BGUAJQQGJVTKTR-HNNXBMFYSA-N -1 3 365.455 0.328 10 0 FCAEHM O=C(C[N-]S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1)Nc1ccc(Cl)cc1 ZINC000631785017 492851861 /nfs/dbraw/zinc/85/18/61/492851861.db2.gz AIRVGKMMMXLPGX-ZDUSSCGKSA-N -1 3 371.846 0.961 10 0 FCAEHM O=c1[nH]cc(S(=O)(=O)[N-]C[C@@]2(N3CCOCC3)CCSC2)s1 ZINC000631785189 492852309 /nfs/dbraw/zinc/85/23/09/492852309.db2.gz COZRYARXCYQVPU-LBPRGKRZSA-N -1 3 365.502 0.335 10 0 FCAEHM Cc1cc(C2([N-]S(=O)(=O)N3CCOC(C)(C)C3)CCOCC2)on1 ZINC000625653382 492853079 /nfs/dbraw/zinc/85/30/79/492853079.db2.gz QGYSZTOYOFCEQU-UHFFFAOYSA-N -1 3 359.448 0.934 10 0 FCAEHM COCCOCC[N-]S(=O)(=O)Cc1ncsc1Br ZINC000631797019 492854537 /nfs/dbraw/zinc/85/45/37/492854537.db2.gz JFFOJMDKPRUOHO-UHFFFAOYSA-N -1 3 359.267 0.988 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)Cn2ccc3ccccc3c2=O)nc1=N ZINC000651976750 492857142 /nfs/dbraw/zinc/85/71/42/492857142.db2.gz BVDNPLPKPLSWIB-CQSZACIVSA-N -1 3 352.398 0.906 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)CC2(Cn3cnnn3)CCCCC2)nc1=N ZINC000651976036 492857470 /nfs/dbraw/zinc/85/74/70/492857470.db2.gz USGVAQNOLDVWLK-ZDUSSCGKSA-N -1 3 373.465 0.918 10 0 FCAEHM CN(C)CCNC(=O)C1CCN(S(=O)(=O)c2cc([O-])cc(F)c2)CC1 ZINC000631813852 492857883 /nfs/dbraw/zinc/85/78/83/492857883.db2.gz URZLNPXHPFOACB-UHFFFAOYSA-N -1 3 373.450 0.610 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H]2CCN(C3CCC3)C2=O)s1 ZINC000625689752 492861484 /nfs/dbraw/zinc/86/14/84/492861484.db2.gz ABEPLIANFPEDMD-CYBMUJFWSA-N -1 3 371.484 0.816 10 0 FCAEHM O=C1[C@@H]([N-]S(=O)(=O)c2cnnn2-c2ccccc2)CCN1C1CCC1 ZINC000625689785 492861544 /nfs/dbraw/zinc/86/15/44/492861544.db2.gz DWBGLFVNQNECBT-AWEZNQCLSA-N -1 3 361.427 0.699 10 0 FCAEHM COc1cccc(N2CC[C@H](C[N-]S(=O)(=O)c3nncn3C)C2)c1 ZINC000631882424 492869098 /nfs/dbraw/zinc/86/90/98/492869098.db2.gz CGFVYRYKUGWALG-GFCCVEGCSA-N -1 3 351.432 0.629 10 0 FCAEHM O=C([C@H]1CCCN(S(=O)(=O)c2cc([O-])cc(F)c2)C1)N1CCNCC1 ZINC000631901850 492873877 /nfs/dbraw/zinc/87/38/77/492873877.db2.gz PUSMGGILMXTPJR-LBPRGKRZSA-N -1 3 371.434 0.364 10 0 FCAEHM COc1cc(OC)c2c(c1)N(Cc1cc(=O)n3nc(N)[n-]c3n1)CCC2 ZINC000625797373 492889008 /nfs/dbraw/zinc/88/90/08/492889008.db2.gz PPTFJGOREDNFDE-UHFFFAOYSA-N -1 3 356.386 0.800 10 0 FCAEHM CCN1C[C@@H](S(=O)(=O)[N-][C@H](Cc2ccccc2)C(=O)N(C)C)CC1=O ZINC000631930295 492890173 /nfs/dbraw/zinc/89/01/73/492890173.db2.gz CRPDXGDQMAPWEX-LSDHHAIUSA-N -1 3 367.471 0.226 10 0 FCAEHM CCN1C[C@H](S(=O)(=O)[N-][C@H]2CCN(c3ccccc3)C2=O)CC1=O ZINC000631934878 492891576 /nfs/dbraw/zinc/89/15/76/492891576.db2.gz MZRLXWUJXLFGCI-KGLIPLIRSA-N -1 3 351.428 0.332 10 0 FCAEHM CN1CCN(C(=O)Cc2cccc(NC(=O)c3cc(=O)[n-]cn3)c2)CC1 ZINC000625967955 492909985 /nfs/dbraw/zinc/90/99/85/492909985.db2.gz KWJUIJUSNJYUEY-UHFFFAOYSA-N -1 3 355.398 0.751 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]CC(=O)NCC(F)(F)F)C1CCOCC1 ZINC000645479661 492912405 /nfs/dbraw/zinc/91/24/05/492912405.db2.gz RHYHJQBIIWODGU-JTQLQIEISA-N -1 3 362.370 0.026 10 0 FCAEHM CCN1C[C@H](S(=O)(=O)[N-][C@@H]2C[C@H](C)N(c3ccccc3)C2=O)CC1=O ZINC000632037115 492916302 /nfs/dbraw/zinc/91/63/02/492916302.db2.gz MMPVBJUQHPLFHB-NWANDNLSSA-N -1 3 365.455 0.721 10 0 FCAEHM COC1(CS(=O)(=O)[N-][C@@H]2CCN(c3cc(C)nn3C)C2=O)CCC1 ZINC000632041675 492917119 /nfs/dbraw/zinc/91/71/19/492917119.db2.gz SSWLAHZNCRFWNO-GFCCVEGCSA-N -1 3 356.448 0.322 10 0 FCAEHM Cc1cc(N2CC[C@H]([N-]S(=O)(=O)CCOC(C)(C)C)C2=O)n(C)n1 ZINC000632041806 492918075 /nfs/dbraw/zinc/91/80/75/492918075.db2.gz XCARIDUOIPGLEJ-LBPRGKRZSA-N -1 3 358.464 0.568 10 0 FCAEHM C[C@H]1C[C@H]([N-]S(=O)(=O)CCOC(C)(C)C)C(=O)N1c1cnn(C)c1 ZINC000632048795 492919992 /nfs/dbraw/zinc/91/99/92/492919992.db2.gz UJMPVZQYXBQDCB-AAEUAGOBSA-N -1 3 358.464 0.648 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]C2CCC(C(N)=O)CC2)coc1C(=O)N(C)C ZINC000645526006 492920292 /nfs/dbraw/zinc/92/02/92/492920292.db2.gz KMFZIRDBYLTOTO-UHFFFAOYSA-N -1 3 357.432 0.612 10 0 FCAEHM C[C@H](CO[C@@H]1CCOC1)[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000632087117 492926119 /nfs/dbraw/zinc/92/61/19/492926119.db2.gz YBPCHFUTGRUENU-RKDXNWHRSA-N -1 3 357.354 0.911 10 0 FCAEHM Cc1cc(N2CC[C@@H]([N-]S(=O)(=O)CCC[C@@H]3CCOC3)C2=O)n(C)n1 ZINC000645569406 492928346 /nfs/dbraw/zinc/92/83/46/492928346.db2.gz IZBBIBQQAOOILG-ZIAGYGMSSA-N -1 3 370.475 0.570 10 0 FCAEHM Cn1ccc(N2CCC[C@H]([N-]S(=O)(=O)CCC[C@H]3CCOC3)C2=O)n1 ZINC000645567245 492928463 /nfs/dbraw/zinc/92/84/63/492928463.db2.gz LZRZWNJGZPQMFC-KBPBESRZSA-N -1 3 370.475 0.652 10 0 FCAEHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)CCC[C@@H]2CCOC2)C(=O)N1c1cnn(C)c1 ZINC000645573833 492930262 /nfs/dbraw/zinc/93/02/62/492930262.db2.gz ZDJFOZLTBJCSTR-UMVBOHGHSA-N -1 3 370.475 0.650 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@H]2CC(=O)N(C(C)(C)C)C2)coc1C(=O)N(C)C ZINC000645574821 492931029 /nfs/dbraw/zinc/93/10/29/492931029.db2.gz CSXROLVLZVXYSN-NSHDSACASA-N -1 3 371.459 0.968 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@H]2CC(=O)N(C3CC3)C2)coc1C(=O)N(C)C ZINC000645578355 492931098 /nfs/dbraw/zinc/93/10/98/492931098.db2.gz DRVLLDHUAHFNEC-JTQLQIEISA-N -1 3 355.416 0.331 10 0 FCAEHM CN1CCO[C@@H](CS(=O)(=O)[N-][C@H]2CCN(C3CCCCC3)C2=O)C1 ZINC000632112378 492932426 /nfs/dbraw/zinc/93/24/26/492932426.db2.gz AOILXSAFSAHULT-CABCVRRESA-N -1 3 359.492 0.170 10 0 FCAEHM CN1CCO[C@H](CS(=O)(=O)[N-][C@H]2CCN(C3CCCCC3)C2=O)C1 ZINC000632112379 492932816 /nfs/dbraw/zinc/93/28/16/492932816.db2.gz AOILXSAFSAHULT-GJZGRUSLSA-N -1 3 359.492 0.170 10 0 FCAEHM Cn1cnnc1S(=O)(=O)[N-][C@@H](CO)c1cccc(Br)c1 ZINC000632115550 492933245 /nfs/dbraw/zinc/93/32/45/492933245.db2.gz VTJXXGKMQWHHMM-JTQLQIEISA-N -1 3 361.221 0.590 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@@H](C)[C@@H]2CN(C)CCO2)coc1C(=O)N(C)C ZINC000645613318 492940508 /nfs/dbraw/zinc/94/05/08/492940508.db2.gz LGLTUFLOTYIXKD-RYUDHWBXSA-N -1 3 359.448 0.287 10 0 FCAEHM O=C(NCCNC(=O)c1ccc([O-])cc1)c1cn(C[C@@H]2CCOC2)nn1 ZINC000626191521 492945873 /nfs/dbraw/zinc/94/58/73/492945873.db2.gz OZHMWLGYFKXIPA-LBPRGKRZSA-N -1 3 359.386 0.180 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@H]2CCO[C@]3(CCOC3)C2)coc1C(=O)N(C)C ZINC000645638248 492952002 /nfs/dbraw/zinc/95/20/02/492952002.db2.gz JIBWKAJFWJYURM-BLLLJJGKSA-N -1 3 372.443 0.906 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-][C@@H](CCO)C1CCOCC1 ZINC000632215737 492952218 /nfs/dbraw/zinc/95/22/18/492952218.db2.gz PDWPPMOTENRZRB-NSHDSACASA-N -1 3 371.381 0.895 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-][C@H](CCO)C1CCOCC1 ZINC000632215736 492952479 /nfs/dbraw/zinc/95/24/79/492952479.db2.gz PDWPPMOTENRZRB-LLVKDONJSA-N -1 3 371.381 0.895 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@@H](C(N)=O)c1ccc(F)cc1)C1CCOCC1 ZINC000645653212 492954622 /nfs/dbraw/zinc/95/46/22/492954622.db2.gz KNGKJZDHKACNSH-HUUCEWRRSA-N -1 3 374.434 0.713 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CCN2CCOC(C)(C)C2)coc1C(=O)N(C)C ZINC000645667363 492957685 /nfs/dbraw/zinc/95/76/85/492957685.db2.gz INEDDIGEYBLXAP-UHFFFAOYSA-N -1 3 373.475 0.679 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]Cc1ncccc1S(C)(=O)=O)C(C)C ZINC000645688131 492960041 /nfs/dbraw/zinc/96/00/41/492960041.db2.gz UPYKZEUNSACNSC-LBPRGKRZSA-N -1 3 350.462 0.576 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@@H](CO)C2CCOCC2)coc1C(=O)N(C)C ZINC000645690876 492960875 /nfs/dbraw/zinc/96/08/75/492960875.db2.gz YKDZJZWCMWUMMK-LBPRGKRZSA-N -1 3 360.432 0.356 10 0 FCAEHM CC(C)[C@H]([N-]S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1)[C@H](O)C(F)(F)F ZINC000632306115 492969495 /nfs/dbraw/zinc/96/94/95/492969495.db2.gz MEJOULGIPKHENJ-USWWRNFRSA-N -1 3 358.382 0.617 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@@H](C(C)C)[C@H](O)C(F)(F)F)[C@@H]1CCOC1 ZINC000632306200 492969460 /nfs/dbraw/zinc/96/94/60/492969460.db2.gz NEWVJMRPLRBRRW-WYUUTHIRSA-N -1 3 363.398 0.905 10 0 FCAEHM O=C(NCCNC(=O)[C@@H]1CCc2nnc(C3CC3)n2C1)c1ccc([O-])cc1 ZINC000645822653 492977701 /nfs/dbraw/zinc/97/77/01/492977701.db2.gz PXVBVAMISNZTMC-CQSZACIVSA-N -1 3 369.425 0.970 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)NC[C@@H]2COCCN2C)ccc1F ZINC000626559562 492993570 /nfs/dbraw/zinc/99/35/70/492993570.db2.gz HCIOCFJNCHMZLH-LLVKDONJSA-N -1 3 360.411 0.186 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]CCN1CCC(O)CC1 ZINC000632420340 492994183 /nfs/dbraw/zinc/99/41/83/492994183.db2.gz FAZQJLWFYFNOMD-UHFFFAOYSA-N -1 3 356.370 0.174 10 0 FCAEHM Cn1cc(C[C@@H](CO)[N-]S(=O)(=O)c2cnccc2C(F)(F)F)cn1 ZINC000632471812 493004519 /nfs/dbraw/zinc/00/45/19/493004519.db2.gz SDFXNZWWMVVRKS-JTQLQIEISA-N -1 3 364.349 0.716 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]C[C@@H]1CCN(C)C(=O)C1 ZINC000632481643 493006403 /nfs/dbraw/zinc/00/64/03/493006403.db2.gz BHDOESZFRGXFEY-MRVPVSSYSA-N -1 3 354.354 0.586 10 0 FCAEHM COc1ccc([O-])c(S(=O)(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)c1 ZINC000632498876 493013389 /nfs/dbraw/zinc/01/33/89/493013389.db2.gz BKBKQQTYYBAHEX-LLVKDONJSA-N -1 3 357.432 0.141 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C2CC2)C2CCOCC2)cn1 ZINC000652770094 493016641 /nfs/dbraw/zinc/01/66/41/493016641.db2.gz VJYFZDXPDWEUMZ-HNNXBMFYSA-N -1 3 353.444 0.925 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N[C@H](C2CC2)C2CCOCC2)c1 ZINC000652769909 493016995 /nfs/dbraw/zinc/01/69/95/493016995.db2.gz QNARUGBCPXGDIV-OAHLLOKOSA-N -1 3 356.448 0.020 10 0 FCAEHM CO[C@H](C[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C)[C@H]1CCOC1 ZINC000632546571 493026121 /nfs/dbraw/zinc/02/61/21/493026121.db2.gz UUBUKSNCMVBJEH-WCBMZHEXSA-N -1 3 357.354 0.769 10 0 FCAEHM COCCCS(=O)(=O)[N-]CC(=O)N1CCOc2c(C)cc(C)cc21 ZINC000652873214 493031442 /nfs/dbraw/zinc/03/14/42/493031442.db2.gz KXNXBQTYKYBVTL-UHFFFAOYSA-N -1 3 356.444 0.985 10 0 FCAEHM CN1CCO[C@@H](CS(=O)(=O)[N-]C[C@@]2(C)COc3ccccc3O2)C1 ZINC000632589782 493038286 /nfs/dbraw/zinc/03/82/86/493038286.db2.gz XUYFFEBPDKCJLK-CJNGLKHVSA-N -1 3 356.444 0.467 10 0 FCAEHM CCN1C[C@H](S(=O)(=O)[N-][C@H]2c3ccccc3CN(C)C2=O)CC1=O ZINC000632595775 493041272 /nfs/dbraw/zinc/04/12/72/493041272.db2.gz UWTDZSWAXWBGHT-DOMZBBRYSA-N -1 3 351.428 0.240 10 0 FCAEHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-][C@@H]1COC[C@@H]1O ZINC000632622319 493047572 /nfs/dbraw/zinc/04/75/72/493047572.db2.gz CWLOSRZAZLOSIQ-SFYZADRCSA-N -1 3 357.306 0.632 10 0 FCAEHM Cn1nccc1[C@@H]1COCCN1C(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000652984074 493052641 /nfs/dbraw/zinc/05/26/41/493052641.db2.gz KMWYWFKLSOMQBI-LBPRGKRZSA-N -1 3 370.456 0.360 10 0 FCAEHM Cn1ncc(Br)c1C[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000632643718 493056818 /nfs/dbraw/zinc/05/68/18/493056818.db2.gz XKNIWRZMKYQLQY-UHFFFAOYSA-N -1 3 353.223 0.823 10 0 FCAEHM C[C@@]1(c2cccc(C(=O)N3CC(C)(C)O[C@@H]4COC[C@H]43)c2)NC(=O)[N-]C1=O ZINC000653006164 493057681 /nfs/dbraw/zinc/05/76/81/493057681.db2.gz GWHCZQWFDURATA-LPMFXHHGSA-N -1 3 373.409 0.760 10 0 FCAEHM COCCOCCN1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000653001467 493057988 /nfs/dbraw/zinc/05/79/88/493057988.db2.gz SVCDHTLEYQCQMW-UHFFFAOYSA-N -1 3 359.426 0.949 10 0 FCAEHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)[C@@H](C)O1 ZINC000632647273 493058318 /nfs/dbraw/zinc/05/83/18/493058318.db2.gz ABEWTYHORNEADV-IJLUTSLNSA-N -1 3 362.473 0.781 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000653006431 493058754 /nfs/dbraw/zinc/05/87/54/493058754.db2.gz PIYMINYAGBCTDC-IJLUTSLNSA-N -1 3 374.484 0.820 10 0 FCAEHM Cc1ccc2c(=O)c(C(=O)N3CCN(CCN(C)C)C(=O)C3)c[n-]c2n1 ZINC000653037398 493063015 /nfs/dbraw/zinc/06/30/15/493063015.db2.gz ARUSABTVGLQUAX-UHFFFAOYSA-N -1 3 357.414 0.490 10 0 FCAEHM Cc1ccc2c([O-])c(C(=O)N3CCN(CCN(C)C)C(=O)C3)cnc2n1 ZINC000653037398 493063017 /nfs/dbraw/zinc/06/30/17/493063017.db2.gz ARUSABTVGLQUAX-UHFFFAOYSA-N -1 3 357.414 0.490 10 0 FCAEHM C[C@@H](NC(=O)c1cn2c(n1)COCC2)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000627234267 493113660 /nfs/dbraw/zinc/11/36/60/493113660.db2.gz XZGQXLIKKBGTTB-GHMZBOCLSA-N -1 3 359.386 0.907 10 0 FCAEHM O=C(c1cc(=O)[n-]cn1)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000627285565 493133056 /nfs/dbraw/zinc/13/30/56/493133056.db2.gz JMLLLUJVXXFICF-RYUDHWBXSA-N -1 3 354.366 0.831 10 0 FCAEHM COc1cc(C)c(NC(=O)C(=O)NCc2nc(CN)cc(=O)[n-]2)cc1C ZINC000659110464 493158692 /nfs/dbraw/zinc/15/86/92/493158692.db2.gz JJAPSDIDJTZRPC-UHFFFAOYSA-N -1 3 359.386 0.521 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(CC(N)=O)cc1)C1CCOCC1 ZINC000647124207 493168381 /nfs/dbraw/zinc/16/83/81/493168381.db2.gz VCURROFOSUBZAE-HNNXBMFYSA-N -1 3 356.444 0.898 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]c1cccc(NC(=O)CO)c1)C1CCOCC1 ZINC000647127043 493169041 /nfs/dbraw/zinc/16/90/41/493169041.db2.gz OFHNBVVOJVRJDE-OAHLLOKOSA-N -1 3 372.443 0.801 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]C(C)(C)c2cn(C)nn2)coc1C(=O)N(C)C ZINC000647279575 493189803 /nfs/dbraw/zinc/18/98/03/493189803.db2.gz WFDCVZIHPZGDIY-UHFFFAOYSA-N -1 3 355.420 0.632 10 0 FCAEHM O=C(Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1)N1CC[C@@H]2COC[C@@H]2C1 ZINC000666512548 493196424 /nfs/dbraw/zinc/19/64/24/493196424.db2.gz FNPCLRVOUADLPP-IPYPFGDCSA-N -1 3 358.398 0.937 10 0 FCAEHM O=C(Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1)N1CC[C@@H](O)C(F)(F)C1 ZINC000666514349 493197580 /nfs/dbraw/zinc/19/75/80/493197580.db2.gz YKIRWYDXBBZQET-VXGBXAGGSA-N -1 3 368.340 0.671 10 0 FCAEHM CN(C)[C@H](CNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)Cc1ccccc1 ZINC000659393305 493201329 /nfs/dbraw/zinc/20/13/29/493201329.db2.gz ZAUPYBQRZSRZGP-JTDSTZFVSA-N -1 3 361.442 0.902 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@H]1CCn2ccnc2C1 ZINC000681746476 493213793 /nfs/dbraw/zinc/21/37/93/493213793.db2.gz PYBIPNBZAPLGGA-RYUDHWBXSA-N -1 3 366.418 0.820 10 0 FCAEHM NCc1cc(=O)[n-]c(CNC(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)n1 ZINC000659632245 493224889 /nfs/dbraw/zinc/22/48/89/493224889.db2.gz SKGUBCJXIQYOKY-LBPRGKRZSA-N -1 3 362.434 0.185 10 0 FCAEHM C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCC2(C(=O)[O-])CCC2)C1 ZINC000659650166 493230134 /nfs/dbraw/zinc/23/01/34/493230134.db2.gz WOOPGTHSLRAFGS-CYBMUJFWSA-N -1 3 353.463 0.984 10 0 FCAEHM O=C([O-])C1(CNC(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)CCC1 ZINC000659669614 493242381 /nfs/dbraw/zinc/24/23/81/493242381.db2.gz VTTYMAYZPIJLNG-CQSZACIVSA-N -1 3 351.447 0.834 10 0 FCAEHM CN(Cc1cc(=O)[n-]c(N)n1)[C@H]1CCN(C(=O)NC[C@H]2CCCCO2)C1 ZINC000681931877 493248408 /nfs/dbraw/zinc/24/84/08/493248408.db2.gz HTQBGDRPGQTGMF-UONOGXRCSA-N -1 3 364.450 0.549 10 0 FCAEHM CCOc1ccc([C@@H](C)NC(=O)C(=O)NCc2nc(CN)cc(=O)[n-]2)cc1 ZINC000659683345 493250021 /nfs/dbraw/zinc/25/00/21/493250021.db2.gz RSSZGQNKXCYZTK-LLVKDONJSA-N -1 3 373.413 0.533 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)N2CC[C@@H](O)C(F)(F)C2)ccc1F ZINC000667066082 493256414 /nfs/dbraw/zinc/25/64/14/493256414.db2.gz DVWSEMGHZGBHOD-LLVKDONJSA-N -1 3 367.349 0.968 10 0 FCAEHM CC(C)(CNC(=O)C(=O)NCc1nc(CN)cc(=O)[n-]1)C1=CCCCC1 ZINC000659703530 493263435 /nfs/dbraw/zinc/26/34/35/493263435.db2.gz DRZVWSPEXFJNAE-UHFFFAOYSA-N -1 3 361.446 0.900 10 0 FCAEHM CCCN(C[C@@H]1CCCCO1)C(=O)C(=O)NCc1nc(CN)cc(=O)[n-]1 ZINC000659748652 493285327 /nfs/dbraw/zinc/28/53/27/493285327.db2.gz KISSXEWQQOBXDY-ZDUSSCGKSA-N -1 3 365.434 0.065 10 0 FCAEHM CCc1nc(S(=O)(=O)[N-]CCc2nnc3n2CCC3)cn1CC1CC1 ZINC000659894237 493298823 /nfs/dbraw/zinc/29/88/23/493298823.db2.gz KIQHASMEKAQUJJ-UHFFFAOYSA-N -1 3 364.475 0.914 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1C[C@@H](O)CC(F)(F)C1 ZINC000682590138 493310118 /nfs/dbraw/zinc/31/01/18/493310118.db2.gz TWCYJHUNFCRKHV-IUCAKERBSA-N -1 3 354.400 0.643 10 0 FCAEHM CC(C)(C)n1nnc(C(=O)NCc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)n1 ZINC000667893992 493307341 /nfs/dbraw/zinc/30/73/41/493307341.db2.gz FNPGJICLUXNQQF-QGZVFWFLSA-N -1 3 371.401 0.413 10 0 FCAEHM CO[C@H](C(=O)NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)[C@@H]1CCOC1 ZINC000667893985 493307506 /nfs/dbraw/zinc/30/75/06/493307506.db2.gz FHVZTMVESMHZKV-UVBSCNOISA-N -1 3 361.398 0.409 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1C[C@@H](O)CC(F)(F)C1 ZINC000682571908 493309415 /nfs/dbraw/zinc/30/94/15/493309415.db2.gz URHCZNQDEFNGIP-UWVGGRQHSA-N -1 3 366.361 0.721 10 0 FCAEHM CCc1nc(S(=O)(=O)[N-][C@@H](CO)c2ccnn2C)cn1CC1CC1 ZINC000659977805 493311404 /nfs/dbraw/zinc/31/14/04/493311404.db2.gz YIZVQSIUNYYDGE-LBPRGKRZSA-N -1 3 353.448 0.601 10 0 FCAEHM CCc1nc(S(=O)(=O)[N-]C[C@]2(OCCO)CCOC2)cn1CC1CC1 ZINC000659986637 493311809 /nfs/dbraw/zinc/31/18/09/493311809.db2.gz AOMLIJOPMQXIPW-MRXNPFEDSA-N -1 3 373.475 0.302 10 0 FCAEHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]CC(C)(C)NS(C)(=O)=O)cn21 ZINC000668118596 493318670 /nfs/dbraw/zinc/31/86/70/493318670.db2.gz DQEDUAAUQLYBFG-SNVBAGLBSA-N -1 3 364.493 0.387 10 0 FCAEHM CS(=O)(=O)Nc1cccc(CN2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000684027483 493388844 /nfs/dbraw/zinc/38/88/44/493388844.db2.gz GHMVZKSZHMOGBV-OAHLLOKOSA-N -1 3 352.416 0.232 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2C(F)(F)F)c(C)o1 ZINC000674361772 493410049 /nfs/dbraw/zinc/41/00/49/493410049.db2.gz TWXKGNQSBHNCSH-SECBINFHSA-N -1 3 356.322 0.899 10 0 FCAEHM O=C(CC[C@H]1NC(=O)[N-]C1=O)N1CCN(c2nccc3sccc32)CC1 ZINC000685198088 493465492 /nfs/dbraw/zinc/46/54/92/493465492.db2.gz XTYSLNOGSFQYLM-GFCCVEGCSA-N -1 3 373.438 0.933 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CCC(OCCCO)CC1 ZINC000675044652 493465522 /nfs/dbraw/zinc/46/55/22/493465522.db2.gz VMEULXZPDLSXOP-UHFFFAOYSA-N -1 3 362.473 0.416 10 0 FCAEHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@@H]2CCN=C3C2=NNN3C)c1 ZINC000669205107 493475874 /nfs/dbraw/zinc/47/58/74/493475874.db2.gz OSMXXVUMYIJQNG-SNVBAGLBSA-N -1 3 364.431 0.529 10 0 FCAEHM CN(CCCNC(=O)CN1C[C@@H]2COC[C@]2(C(=O)[O-])C1)c1ccccc1 ZINC000662219738 493497760 /nfs/dbraw/zinc/49/77/60/493497760.db2.gz HZSPTVVRRPOTGA-DNVCBOLYSA-N -1 3 361.442 0.662 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)c2cc(C(C)(C)N)no2)s1 ZINC000662457591 493517272 /nfs/dbraw/zinc/51/72/72/493517272.db2.gz AURKVWWZCCYHJS-UHFFFAOYSA-N -1 3 358.445 0.768 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CC(C2CCOCC2)C1 ZINC000669733694 493523945 /nfs/dbraw/zinc/52/39/45/493523945.db2.gz LHVXRXCRYLMPEW-UHFFFAOYSA-N -1 3 372.219 0.596 10 0 FCAEHM NS(=O)(=O)Cc1cccc(CNC(=O)NCc2ncccc2[O-])c1 ZINC000669774001 493526563 /nfs/dbraw/zinc/52/65/63/493526563.db2.gz IPUPDOMUSYDVAK-UHFFFAOYSA-N -1 3 350.400 0.575 10 0 FCAEHM COc1ccc([C@@H](CC(=O)N(CCN(C)C)CC(=O)[O-])NC(C)=O)cc1 ZINC000676207280 493530327 /nfs/dbraw/zinc/53/03/27/493530327.db2.gz XKRNXOFLQALFDI-MRXNPFEDSA-N -1 3 365.430 0.737 10 0 FCAEHM C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])[C@H]1CN(C)CCO1 ZINC000676349318 493546620 /nfs/dbraw/zinc/54/66/20/493546620.db2.gz VJIGLIHYVDVYIO-YSVLISHTSA-N -1 3 361.442 0.832 10 0 FCAEHM CCN1CC[C@H](NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1=O ZINC000670171470 493550040 /nfs/dbraw/zinc/55/00/40/493550040.db2.gz MBBKXVMJDFDXJC-QMMMGPOBSA-N -1 3 365.864 0.417 10 0 FCAEHM CCN1CC[C@H](NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C1=O ZINC000670190136 493551511 /nfs/dbraw/zinc/55/15/11/493551511.db2.gz JSDIAVCZQBKFRH-HNNXBMFYSA-N -1 3 360.414 0.480 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]c2ccc(C(=O)NCCN(C)C)cc2)c1 ZINC000676721265 493568190 /nfs/dbraw/zinc/56/81/90/493568190.db2.gz LRINHIFKKZCHTC-UHFFFAOYSA-N -1 3 365.459 0.995 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCCc2n[nH]cc2C1 ZINC000663196079 493576714 /nfs/dbraw/zinc/57/67/14/493576714.db2.gz HSXYYYZJJLMTMZ-UHFFFAOYSA-N -1 3 368.191 0.410 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)N1CCCc2n[nH]cc2C1 ZINC000663194663 493576852 /nfs/dbraw/zinc/57/68/52/493576852.db2.gz CIWGPOXKZVUYRQ-UHFFFAOYSA-N -1 3 365.393 0.956 10 0 FCAEHM CC[C@@H]1CCCCN1CCNC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663624132 493606156 /nfs/dbraw/zinc/60/61/56/493606156.db2.gz ORBMSAUCJOXWDI-CABCVRRESA-N -1 3 353.463 0.984 10 0 FCAEHM O=C([O-])[C@@H](CNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1)C1CCC1 ZINC000663636069 493608277 /nfs/dbraw/zinc/60/82/77/493608277.db2.gz VMTCXKITPUBMLU-CABCVRRESA-N -1 3 351.447 0.690 10 0 FCAEHM O=C1[N-]C(=O)N2CCN(c3nc(C4CC4)ncc3Br)C[C@H]12 ZINC000663780057 493617651 /nfs/dbraw/zinc/61/76/51/493617651.db2.gz RNXSAIHDWXIOJJ-SECBINFHSA-N -1 3 352.192 0.857 10 0 FCAEHM C[C@@H]1CN(C(=O)NCc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)C[C@H](C)[C@H]1O ZINC000663919583 493625700 /nfs/dbraw/zinc/62/57/00/493625700.db2.gz PRJCEZYHJREFFH-NCPSFGDWSA-N -1 3 374.441 0.900 10 0 FCAEHM COc1nc(NC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)n[n-]1 ZINC000678351866 493641637 /nfs/dbraw/zinc/64/16/37/493641637.db2.gz VYHGZKBEBXKFRQ-XXFAHNHDSA-N -1 3 364.406 0.889 10 0 FCAEHM COc1nnc(NC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)[n-]1 ZINC000678351866 493641640 /nfs/dbraw/zinc/64/16/40/493641640.db2.gz VYHGZKBEBXKFRQ-XXFAHNHDSA-N -1 3 364.406 0.889 10 0 FCAEHM COc1n[n-]c(NC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)n1 ZINC000678351866 493641642 /nfs/dbraw/zinc/64/16/42/493641642.db2.gz VYHGZKBEBXKFRQ-XXFAHNHDSA-N -1 3 364.406 0.889 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H]2CCNC2=O)cc1OC ZINC000664288579 493650910 /nfs/dbraw/zinc/65/09/10/493650910.db2.gz SSISGRQBRAJTOH-NSHDSACASA-N -1 3 356.404 0.467 10 0 FCAEHM O=S1(=O)[N-]C(CN2CCN([C@H]3CCOC3)CC2)=Nc2ccccc21 ZINC000678625624 493652398 /nfs/dbraw/zinc/65/23/98/493652398.db2.gz DCLPHMMBWOFJJF-ZDUSSCGKSA-N -1 3 350.444 0.415 10 0 FCAEHM C[C@@H](CNC(=O)NCc1ccc([O-])c(Br)c1)S(N)(=O)=O ZINC000664471084 493661978 /nfs/dbraw/zinc/66/19/78/493661978.db2.gz MWJLUUNCELMACW-ZETCQYMHSA-N -1 3 366.237 0.631 10 0 FCAEHM CCn1cnc(S(=O)(=O)N2CCC[C@H]2C[C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000671698317 493703181 /nfs/dbraw/zinc/70/31/81/493703181.db2.gz CWUOJKGJJVRGRS-HZMBPMFUSA-N -1 3 355.420 0.044 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CCCCC[C@H]2CCO)cn1C ZINC000671896000 493712370 /nfs/dbraw/zinc/71/23/70/493712370.db2.gz TWGVOSSWCPPUOS-AWEZNQCLSA-N -1 3 372.491 0.551 10 0 FCAEHM O=C(NCC[C@@H]1COc2ccccc2O1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000680611139 493726456 /nfs/dbraw/zinc/72/64/56/493726456.db2.gz ZWVMDOGERVHRMS-VXGBXAGGSA-N -1 3 360.370 0.162 10 0 FCAEHM O=C(NCC(F)(F)c1cccc(F)c1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000665954525 493746544 /nfs/dbraw/zinc/74/65/44/493746544.db2.gz BSEODBZKEDKMOT-NSHDSACASA-N -1 3 356.304 0.863 10 0 FCAEHM COC(C)(C)CS(=O)(=O)[N-]c1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000666298023 493769233 /nfs/dbraw/zinc/76/92/33/493769233.db2.gz BGCJCEFFKSNBSH-HNNXBMFYSA-N -1 3 355.416 0.908 10 0 FCAEHM C[C@@H](O)[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)CCO1 ZINC000412906600 533811313 /nfs/dbraw/zinc/81/13/13/533811313.db2.gz CALOWFGIWXJOEF-BDAKNGLRSA-N -1 3 368.864 0.288 10 0 FCAEHM C[C@H](O)[C@H]1CN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)CCO1 ZINC000412906603 534111717 /nfs/dbraw/zinc/11/17/17/534111717.db2.gz CALOWFGIWXJOEF-DTWKUNHWSA-N -1 3 368.864 0.288 10 0 FCAEHM COC(=O)c1sc2[n-]c(CN3CCO[C@H]([C@H](C)O)C3)nc(=O)c2c1C ZINC000412086412 534396443 /nfs/dbraw/zinc/39/64/43/534396443.db2.gz NRKZHELLJZFYFM-UWVGGRQHSA-N -1 3 367.427 0.661 10 0 FCAEHM O=C(c1c[n-]c2c(Cl)cccc2c1=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000412155117 534649634 /nfs/dbraw/zinc/64/96/34/534649634.db2.gz DGFATMPOBBRRDT-LLVKDONJSA-N -1 3 360.757 0.558 10 0 FCAEHM CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H]2CNC(=O)C2)s1 ZINC000444182977 535379111 /nfs/dbraw/zinc/37/91/11/535379111.db2.gz MLSBRLFFBXGXSH-NSHDSACASA-N -1 3 373.500 0.620 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000443192668 536331585 /nfs/dbraw/zinc/33/15/85/536331585.db2.gz SXNBYMPZSDDRKU-TUAOUCFPSA-N -1 3 362.473 0.781 10 0 FCAEHM CN1CC[C@@H](CNC(=O)C(=O)[N-]c2nccn2-c2ccccc2)CC1=O ZINC000425789818 536448826 /nfs/dbraw/zinc/44/88/26/536448826.db2.gz WGYZTKLNKTUZOL-CYBMUJFWSA-N -1 3 355.398 0.795 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@H]1CCC(=O)N(C)C1=O ZINC000425233909 536853719 /nfs/dbraw/zinc/85/37/19/536853719.db2.gz YWXVASCLMZEOAI-VIFPVBQESA-N -1 3 358.372 0.109 10 0 FCAEHM Cc1ccccc1CC1CN(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)C1 ZINC000088697769 546516567 /nfs/dbraw/zinc/51/65/67/546516567.db2.gz NPIPJYALYZPWRF-UHFFFAOYSA-N -1 3 362.455 0.708 10 0 FCAEHM Cn1ccc(S(=O)(=O)[N-][C@@H](C(=O)OC(C)(C)C)c2ccnn2C)n1 ZINC000592106649 546608332 /nfs/dbraw/zinc/60/83/32/546608332.db2.gz KJUMMMDBOWYMRX-GFCCVEGCSA-N -1 3 355.420 0.515 10 0 FCAEHM CCOC(=O)[C@@H](Cc1ccccn1)[N-]S(=O)(=O)N1CCCOCC1 ZINC000593585923 546719639 /nfs/dbraw/zinc/71/96/39/546719639.db2.gz PMDYJPIHYAWFFT-CQSZACIVSA-N -1 3 357.432 0.113 10 0 FCAEHM COC(=O)c1sccc1S(=O)(=O)[N-]Cc1ncc2c(n1)CCOC2 ZINC000593626489 546722665 /nfs/dbraw/zinc/72/26/65/546722665.db2.gz AXWRUUXSAYVAMZ-UHFFFAOYSA-N -1 3 369.424 0.876 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CCF)C(=O)OC)c(F)c1 ZINC000593635927 546726988 /nfs/dbraw/zinc/72/69/88/546726988.db2.gz VBHWFQHBXXHYSO-JTQLQIEISA-N -1 3 351.327 0.792 10 0 FCAEHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]CC[C@]1(O)CCOC1 ZINC000593637450 546733334 /nfs/dbraw/zinc/73/33/34/546733334.db2.gz OPSHHJGFJKFRBS-AWEZNQCLSA-N -1 3 363.819 0.946 10 0 FCAEHM COC(=O)[C@H](CCF)NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000593807594 546753577 /nfs/dbraw/zinc/75/35/77/546753577.db2.gz PHXYSZJYOABJML-LBPRGKRZSA-N -1 3 351.334 0.510 10 0 FCAEHM CCOC(=O)C[C@H]([N-]S(=O)(=O)c1cnc2n1CCC2)C(F)(F)F ZINC000594697164 546816528 /nfs/dbraw/zinc/81/65/28/546816528.db2.gz AANZXXRRPWMFHD-QMMMGPOBSA-N -1 3 355.338 0.992 10 0 FCAEHM COC(=O)[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000594766852 546821675 /nfs/dbraw/zinc/82/16/75/546821675.db2.gz DOXGETZEZDYQAN-VIFPVBQESA-N -1 3 372.624 0.915 10 0 FCAEHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]C[C@H](OC)[C@H]1CCOC1 ZINC000594804536 546828920 /nfs/dbraw/zinc/82/89/20/546828920.db2.gz ROILEDKXFHOWCA-GWCFXTLKSA-N -1 3 361.416 0.958 10 0 FCAEHM COC(=O)[C@@H](O)C(C)(C)[N-]S(=O)(=O)C[C@@H](OC)C1CCCCC1 ZINC000594778808 546832733 /nfs/dbraw/zinc/83/27/33/546832733.db2.gz ITXIHHFNKWMHBJ-CHWSQXEVSA-N -1 3 351.465 0.814 10 0 FCAEHM CCOC(=O)c1ccc(CS(=O)(=O)[N-][C@@H]2CCO[C@@H]2C(=O)OC)cc1 ZINC000594823019 546836156 /nfs/dbraw/zinc/83/61/56/546836156.db2.gz RJIQGBYCEPJAHS-KGLIPLIRSA-N -1 3 371.411 0.613 10 0 FCAEHM COCc1nc(C[N-]S(=O)(=O)c2cc(F)ccc2C(=O)OC)n[nH]1 ZINC000594826538 546837290 /nfs/dbraw/zinc/83/72/90/546837290.db2.gz CMMVCUABNCMRRB-UHFFFAOYSA-N -1 3 358.351 0.355 10 0 FCAEHM Cn1nccc1CC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000277850041 546867997 /nfs/dbraw/zinc/86/79/97/546867997.db2.gz LGPOLPTXGSMPPW-UHFFFAOYSA-N -1 3 362.864 0.772 10 0 FCAEHM C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000289504547 546873977 /nfs/dbraw/zinc/87/39/77/546873977.db2.gz ULINSGGMYSDWMC-SFYZADRCSA-N -1 3 364.328 0.054 10 0 FCAEHM CCCOc1cncc(NC(=O)C[N-]S(=O)(=O)c2cn(C)c(C)n2)c1 ZINC000529842318 547023785 /nfs/dbraw/zinc/02/37/85/547023785.db2.gz TYGNOOFQKUFZLY-UHFFFAOYSA-N -1 3 367.431 0.829 10 0 FCAEHM O=C1[N-]C(=O)N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)nc3)C[C@@H]12 ZINC000546779798 547045804 /nfs/dbraw/zinc/04/58/04/547045804.db2.gz LCSKWTZVSDSQHA-QMMMGPOBSA-N -1 3 364.305 0.025 10 0 FCAEHM Cc1nc(C)c(CC(=O)N2CCC[C@H](S(=O)(=O)N(C)C)C2)c(=O)[n-]1 ZINC000552690948 547225054 /nfs/dbraw/zinc/22/50/54/547225054.db2.gz BDIRCDVNIPKKHK-LBPRGKRZSA-N -1 3 356.448 0.224 10 0 FCAEHM CCc1nc([N-]C(=O)c2ccnc(S(C)(=O)=O)n2)sc1C(=O)OC ZINC000553530767 547285620 /nfs/dbraw/zinc/28/56/20/547285620.db2.gz VAVPCARGPWQAAP-UHFFFAOYSA-N -1 3 370.412 0.938 10 0 FCAEHM O=C1[N-]C(=O)N2CCN(S(=O)(=O)c3cccnc3C(F)(F)F)C[C@@H]12 ZINC000553855613 547311241 /nfs/dbraw/zinc/31/12/41/547311241.db2.gz SUIJYHNBMYRECU-ZETCQYMHSA-N -1 3 364.305 0.025 10 0 FCAEHM CCOC(=O)[C@H](F)[C@H]1CCN(C(=O)CNC(=O)c2ccc([O-])cc2)C1 ZINC000898537682 665882746 /nfs/dbraw/zinc/88/27/46/665882746.db2.gz SOVRUYFXXSMJAJ-SWLSCSKDSA-N -1 3 352.362 0.872 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)[C@H]1CSCN1C(=O)c1ccccc1 ZINC000898729082 665905075 /nfs/dbraw/zinc/90/50/75/665905075.db2.gz CIYJAJCQQRSLOV-ZIAGYGMSSA-N -1 3 360.439 0.830 10 0 FCAEHM O=C(Cc1cccs1)N1CCC[C@H]1C(=O)NCCCc1c[n-][nH]c1=O ZINC000898735381 665906168 /nfs/dbraw/zinc/90/61/68/665906168.db2.gz URLNRSCYWFKVDS-JSGCOSHPSA-N -1 3 362.455 0.910 10 0 FCAEHM O=C(Cc1cccs1)N1CCC[C@@H]1C(=O)NCCCc1c[n-][nH]c1=O ZINC000898735379 665906230 /nfs/dbraw/zinc/90/62/30/665906230.db2.gz URLNRSCYWFKVDS-GXTWGEPZSA-N -1 3 362.455 0.910 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]C[C@H](O)C2CCOCC2)c(Br)n1 ZINC000866849183 663143255 /nfs/dbraw/zinc/14/32/55/663143255.db2.gz RBUMNBGKUUTGFN-VIFPVBQESA-N -1 3 368.253 0.248 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NC[C@H]1CC2(CCC2)CO1 ZINC000899426946 665937953 /nfs/dbraw/zinc/93/79/53/665937953.db2.gz CNRYJJDLRAEFCF-SECBINFHSA-N -1 3 372.219 0.787 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)[C@@H](C)OC[C@@H]3CCCO3)CC2)n1 ZINC000899501439 665943366 /nfs/dbraw/zinc/94/33/66/665943366.db2.gz VWRFJXFVXVQSOL-KGLIPLIRSA-N -1 3 350.419 0.723 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)[C@H](C)OC[C@@H]3CCCO3)CC2)n1 ZINC000899501435 665943456 /nfs/dbraw/zinc/94/34/56/665943456.db2.gz VWRFJXFVXVQSOL-KBPBESRZSA-N -1 3 350.419 0.723 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](COC)[C@H]2CCCOC2)ccc1F ZINC000899652568 665950076 /nfs/dbraw/zinc/95/00/76/665950076.db2.gz DCNLURVYQYBVQD-GXTWGEPZSA-N -1 3 374.434 0.905 10 0 FCAEHM C[C@@H](NC(=O)N[N-]C(=O)c1ccccc1Br)C(=O)N(C)C ZINC000046970870 663331310 /nfs/dbraw/zinc/33/13/10/663331310.db2.gz DHVMFRUGDRUSRX-MRVPVSSYSA-N -1 3 357.208 0.870 10 0 FCAEHM CCN1CCN(C[C@@H](C)C[N-]S(=O)(=O)c2occc2C(=O)OC)CC1 ZINC000866874018 663511570 /nfs/dbraw/zinc/51/15/70/663511570.db2.gz JSZZENTZCVTECY-ZDUSSCGKSA-N -1 3 373.475 0.618 10 0 FCAEHM CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436518689 665983567 /nfs/dbraw/zinc/98/35/67/665983567.db2.gz SGPUZRJMWYZMAM-MWLCHTKSSA-N -1 3 356.400 0.569 10 0 FCAEHM O=C(N1CCC(C[N-]S(=O)(=O)c2c[nH]c(=O)s2)CC1)C(F)(F)F ZINC000866902500 665085207 /nfs/dbraw/zinc/08/52/07/665085207.db2.gz DQSXMSADUDRACW-UHFFFAOYSA-N -1 3 373.378 0.928 10 0 FCAEHM CNC(=O)COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000728725705 665157488 /nfs/dbraw/zinc/15/74/88/665157488.db2.gz PPBUKHGJTRLIDL-UHFFFAOYSA-N -1 3 355.347 0.857 10 0 FCAEHM C[C@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1cccc(C(=O)[O-])c1F ZINC000905207020 666011968 /nfs/dbraw/zinc/01/19/68/666011968.db2.gz FZHMAVFFWNOMEO-JTQLQIEISA-N -1 3 373.406 0.264 10 0 FCAEHM CN1CCN(c2cccc(C(=O)NCc3cc(=O)[n-]c(=S)[nH]3)n2)CC1 ZINC000911853852 666378972 /nfs/dbraw/zinc/37/89/72/666378972.db2.gz FOIBUBIBVVOEGG-UHFFFAOYSA-N -1 3 360.443 0.548 10 0 FCAEHM O=S(=O)([N-][C@@H]1c2ccccc2OC[C@@H]1F)C1CCS(=O)(=O)CC1 ZINC000921318793 666432324 /nfs/dbraw/zinc/43/23/24/666432324.db2.gz CTFRWNMUUWAIDO-GXTWGEPZSA-N -1 3 363.432 0.955 10 0 FCAEHM CO[C@]12CCC[C@@]1([N-]S(=O)(=O)C1CN(C(=O)C3CCCC3)C1)CCO2 ZINC000921314980 666434696 /nfs/dbraw/zinc/43/46/96/666434696.db2.gz OOCASHPDLXPKKM-SJORKVTESA-N -1 3 372.487 0.993 10 0 FCAEHM CCOC(=O)[C@H](COC)[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000921380374 666442247 /nfs/dbraw/zinc/44/22/47/666442247.db2.gz VQKSNEIBYYKCDF-QMMMGPOBSA-N -1 3 356.322 0.957 10 0 FCAEHM COC(=O)[C@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1ccc(C)nn1 ZINC000921385586 666443373 /nfs/dbraw/zinc/44/33/73/666443373.db2.gz YASMDOLQAOFYAV-ZDUSSCGKSA-N -1 3 353.375 0.987 10 0 FCAEHM CN(C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])C1CS(=O)(=O)C1 ZINC000913139886 666500826 /nfs/dbraw/zinc/50/08/26/666500826.db2.gz SSMVPNBZFZIMDJ-ZDUSSCGKSA-N -1 3 352.412 0.252 10 0 FCAEHM COCCS(=O)(=O)C=C([O-])N=[S@@](C)(=O)c1ccc(N(C)C)cc1 ZINC000913499853 666530864 /nfs/dbraw/zinc/53/08/64/666530864.db2.gz VTEQZAFQKGRYAC-QFIPXVFZSA-N -1 3 362.473 0.797 10 0 FCAEHM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCN(CCCCCO)CC1 ZINC000913693358 666643222 /nfs/dbraw/zinc/64/32/22/666643222.db2.gz YAIMDYMXUKRPHV-ZDUSSCGKSA-N -1 3 367.412 0.996 10 0 FCAEHM C[C@H]1COC[C@@H]1[N-]S(=O)(=O)c1cnn(C)c1I ZINC000921504502 666877699 /nfs/dbraw/zinc/87/76/99/666877699.db2.gz ZJIWJKSWKWSLHT-BQBZGAKWSA-N -1 3 371.200 0.338 10 0 FCAEHM O=S(=O)(Cc1cccc(F)c1Br)[N-][C@@H]1COC[C@H]1O ZINC000916123442 666992825 /nfs/dbraw/zinc/99/28/25/666992825.db2.gz OKIJMIUQHRAWJG-NXEZZACHSA-N -1 3 354.197 0.767 10 0 FCAEHM COc1cc(F)c(S(=O)(=O)[N-][C@H]2CS(=O)(=O)C2(C)C)cc1F ZINC000916586255 667008411 /nfs/dbraw/zinc/00/84/11/667008411.db2.gz WCCRASVCOOZOFD-NSHDSACASA-N -1 3 355.384 0.827 10 0 FCAEHM O=S(=O)([N-]C[C@@H]1CN2CCN1CCC2)c1ccc(Cl)c2nonc21 ZINC000917061571 667050400 /nfs/dbraw/zinc/05/04/00/667050400.db2.gz MMIAZCCGRUTLKY-SNVBAGLBSA-N -1 3 371.850 0.544 10 0 FCAEHM COc1ncc(S(=O)(=O)[N-][C@H](CO)[C@H]2CCC[C@H](OC)C2)s1 ZINC000917193883 667063276 /nfs/dbraw/zinc/06/32/76/667063276.db2.gz OSRNUFZMRLAYIT-GARJFASQSA-N -1 3 350.462 0.996 10 0 FCAEHM COc1ncc(S(=O)(=O)[N-][C@H](CO)[C@@H]2CCC[C@H](OC)C2)s1 ZINC000917193886 667063473 /nfs/dbraw/zinc/06/34/73/667063473.db2.gz OSRNUFZMRLAYIT-OUAUKWLOSA-N -1 3 350.462 0.996 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@@H](CO)c2cccnc2)c(Br)n1 ZINC000917484515 667075638 /nfs/dbraw/zinc/07/56/38/667075638.db2.gz MFMHIWHCEKMVPG-VIFPVBQESA-N -1 3 361.221 0.590 10 0 FCAEHM O=S(=O)([N-][C@@H](CO)CN1CCOCC1)c1cccc(Cl)c1F ZINC000918990116 667149538 /nfs/dbraw/zinc/14/95/38/667149538.db2.gz XZDOQCWLZOHOBA-SNVBAGLBSA-N -1 3 352.815 0.451 10 0 FCAEHM C[C@H](CC[N-]S(=O)(=O)c1cn(C)nc1Br)[S@](C)=O ZINC000866974605 667155110 /nfs/dbraw/zinc/15/51/10/667155110.db2.gz RPNIKKHLRWZKJH-GJEGPGMTSA-N -1 3 358.283 0.618 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-]CCCc2ncnn2C)c1Br ZINC000919529680 667183887 /nfs/dbraw/zinc/18/38/87/667183887.db2.gz ZXCOLWQKRWZYQI-UHFFFAOYSA-N -1 3 363.241 0.222 10 0 FCAEHM CN1CCN(C(=O)C[N-]S(=O)(=O)c2cnccc2C(F)(F)F)CC1 ZINC000920535606 667244897 /nfs/dbraw/zinc/24/48/97/667244897.db2.gz NSAVVOUIQCPYON-UHFFFAOYSA-N -1 3 366.365 0.153 10 0 FCAEHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CC[C@@H]1CC(=O)N(C)C1 ZINC000921067709 667264796 /nfs/dbraw/zinc/26/47/96/667264796.db2.gz GJMAALQDLSHAIH-SNVBAGLBSA-N -1 3 358.391 0.759 10 0 FCAEHM CN1C[C@@H](CC[N-]S(=O)(=O)c2cccc(Br)n2)CC1=O ZINC000921049328 667266108 /nfs/dbraw/zinc/26/61/08/667266108.db2.gz RIWOZUZENKHWCE-VIFPVBQESA-N -1 3 362.249 0.991 10 0 FCAEHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]C1(CC(N)=O)CCC1 ZINC000751494703 667472666 /nfs/dbraw/zinc/47/26/66/667472666.db2.gz MCMBXRNFCAFGIF-UHFFFAOYSA-N -1 3 361.807 0.598 10 0 FCAEHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]CC[C@@H](C)[S@](C)=O ZINC000751505397 667473421 /nfs/dbraw/zinc/47/34/21/667473421.db2.gz IPTJUQDZRCGKAU-ZEDNOMKYSA-N -1 3 368.864 0.957 10 0 FCAEHM CCOC(=O)[C@H](CC1CC1)[N-]S(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000751980452 667498017 /nfs/dbraw/zinc/49/80/17/667498017.db2.gz FQZDZGCHNBAWDE-LBPRGKRZSA-N -1 3 353.462 0.215 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NC2CCC(C(N)=O)CC2)ccc1F ZINC000752414234 667515037 /nfs/dbraw/zinc/51/50/37/667515037.db2.gz NHUUINJQOUUVPV-UHFFFAOYSA-N -1 3 357.407 0.508 10 0 FCAEHM CNC(=O)c1cc(S(=O)(=O)[N-][C@H]([C@H]2CCOC2)C(F)(F)F)cn1C ZINC000921863574 667523722 /nfs/dbraw/zinc/52/37/22/667523722.db2.gz XLEKQYYJWWWUGI-GZMMTYOYSA-N -1 3 369.365 0.630 10 0 FCAEHM COCCCO[N-]C(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1 ZINC000805043026 667554120 /nfs/dbraw/zinc/55/41/20/667554120.db2.gz DKCBXRKYGVPBIQ-UHFFFAOYSA-N -1 3 350.368 0.109 10 0 FCAEHM CS[C@@H](CO)[C@H](C)[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867018678 667728186 /nfs/dbraw/zinc/72/81/86/667728186.db2.gz WHQZOVMLDLWKHO-BQBZGAKWSA-N -1 3 358.283 0.573 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)OC[C@H](C)CS(C)(=O)=O)ccc1F ZINC000758046161 667742573 /nfs/dbraw/zinc/74/25/73/667742573.db2.gz IXVKTQAUPIEBRW-VIFPVBQESA-N -1 3 367.420 0.571 10 0 FCAEHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC)C(=O)OC ZINC000761301383 667886367 /nfs/dbraw/zinc/88/63/67/667886367.db2.gz XHRNBTFHGFWUMB-ZETCQYMHSA-N -1 3 350.780 0.752 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cn(C)nc1Br)[C@H]1CN(C)CCO1 ZINC000866986925 667932269 /nfs/dbraw/zinc/93/22/69/667932269.db2.gz AZRJTXSAGOUVDZ-DTWKUNHWSA-N -1 3 367.269 0.180 10 0 FCAEHM NS(=O)(=O)CCCOC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000744720228 668063725 /nfs/dbraw/zinc/06/37/25/668063725.db2.gz KCKVCSCOMBOGGP-GFCCVEGCSA-N -1 3 356.400 0.219 10 0 FCAEHM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccc(-n3cnnn3)cc2Cl)C1=O ZINC000769851071 668158595 /nfs/dbraw/zinc/15/85/95/668158595.db2.gz CTBOMYNBGSDAPR-CQSZACIVSA-N -1 3 363.765 0.681 10 0 FCAEHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]C[C@@H](O)c2ccccn2)s1 ZINC000775592475 668223410 /nfs/dbraw/zinc/22/34/10/668223410.db2.gz GZXGAZWQLULKMP-SNVBAGLBSA-N -1 3 372.424 0.950 10 0 FCAEHM O=C(c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F)N1CC(CCO)C1 ZINC000775821338 668232781 /nfs/dbraw/zinc/23/27/81/668232781.db2.gz CNXHTZRDEDTPBE-UHFFFAOYSA-N -1 3 360.382 0.860 10 0 FCAEHM C[C@@H](CC(=O)N1CC(CCO)C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000775821904 668232905 /nfs/dbraw/zinc/23/29/05/668232905.db2.gz IUJHXRBUHQUUBP-JTQLQIEISA-N -1 3 361.851 0.633 10 0 FCAEHM CNC(=O)Cn1cnc([N-]C(=O)c2cnn(-c3cccc(Cl)c3)n2)n1 ZINC000776960126 668302397 /nfs/dbraw/zinc/30/23/97/668302397.db2.gz ITEJFYGTUDQKDO-UHFFFAOYSA-N -1 3 360.765 0.511 10 0 FCAEHM CNS(=O)(=O)CCCOC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000777079266 668308200 /nfs/dbraw/zinc/30/82/00/668308200.db2.gz SZCSCNOISJVYOH-UHFFFAOYSA-N -1 3 358.416 0.303 10 0 FCAEHM COc1nnc(NC(=O)CCNS(=O)(=O)C=Cc2ccccc2)[n-]1 ZINC000778955632 668401146 /nfs/dbraw/zinc/40/11/46/668401146.db2.gz NBVWDVMYDKBDSV-NTMALXAHSA-N -1 3 351.388 0.732 10 0 FCAEHM COc1nc(NC(=O)CCNS(=O)(=O)C=Cc2ccccc2)n[n-]1 ZINC000778955632 668401149 /nfs/dbraw/zinc/40/11/49/668401149.db2.gz NBVWDVMYDKBDSV-NTMALXAHSA-N -1 3 351.388 0.732 10 0 FCAEHM COc1n[n-]c(NC(=O)CCNS(=O)(=O)C=Cc2ccccc2)n1 ZINC000778955632 668401152 /nfs/dbraw/zinc/40/11/52/668401152.db2.gz NBVWDVMYDKBDSV-NTMALXAHSA-N -1 3 351.388 0.732 10 0 FCAEHM C[C@H]1C[C@@H](COC(=O)c2ccc(S(=O)(=O)[N-]CCO)s2)CCO1 ZINC000783853451 668634977 /nfs/dbraw/zinc/63/49/77/668634977.db2.gz QBVISODVZFZYIV-QWRGUYRKSA-N -1 3 363.457 0.991 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](O)CC(F)(F)C2)ccc1F ZINC000787551985 668801363 /nfs/dbraw/zinc/80/13/63/668801363.db2.gz XUVCPEYPUKYVSV-SECBINFHSA-N -1 3 352.334 0.576 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](CO)C[C@@H](O)C(C)(C)C ZINC000790383898 668875952 /nfs/dbraw/zinc/87/59/52/668875952.db2.gz BJTBSALHJMOGSN-NXEZZACHSA-N -1 3 353.872 0.818 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)c1nnnn1C1CC1 ZINC000790936755 668884069 /nfs/dbraw/zinc/88/40/69/668884069.db2.gz ITXACSNNJGYWSF-SECBINFHSA-N -1 3 371.444 0.451 10 0 FCAEHM Cc1cnn(CCOC(=O)c2ccc(S(=O)(=O)[N-]CCO)s2)c1 ZINC000791944927 668896821 /nfs/dbraw/zinc/89/68/21/668896821.db2.gz NVISXRUSZIJHPD-UHFFFAOYSA-N -1 3 359.429 0.381 10 0 FCAEHM CCN1C(=O)c2ccc(C(=O)NCc3ncccc3[O-])cc2S1(=O)=O ZINC000792610968 668906027 /nfs/dbraw/zinc/90/60/27/668906027.db2.gz VYROJXIWGIVSTI-UHFFFAOYSA-N -1 3 361.379 0.882 10 0 FCAEHM O=C([N-]C[C@@H]1CCCN(C(=O)[C@H](O)C2CCOCC2)C1)C(F)(F)F ZINC000793470413 668929411 /nfs/dbraw/zinc/92/94/11/668929411.db2.gz XZGKTUGNZJNIBY-CMPLNLGQSA-N -1 3 352.353 0.691 10 0 FCAEHM COc1c(F)cc(CC(=O)[N-]OCCSC)cc1S(N)(=O)=O ZINC000794194174 668942115 /nfs/dbraw/zinc/94/21/15/668942115.db2.gz ROLQSFOUXUWCFU-UHFFFAOYSA-N -1 3 352.409 0.435 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]CCCN2CCOC2=O)c(F)c1 ZINC000795092421 669011535 /nfs/dbraw/zinc/01/15/35/669011535.db2.gz CNXWGIZJWLWQOK-UHFFFAOYSA-N -1 3 360.363 0.733 10 0 FCAEHM CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)c2nnc3ccccc3c2[O-])C1 ZINC000804191683 669368942 /nfs/dbraw/zinc/36/89/42/669368942.db2.gz FWBWOMJZETXTGW-NSHDSACASA-N -1 3 364.427 0.831 10 0 FCAEHM CC(C)(C)OC(=O)N1CC(CCO)([N-]S(=O)(=O)c2cscn2)C1 ZINC000827694678 669591291 /nfs/dbraw/zinc/59/12/91/669591291.db2.gz JSSJRPLYLVBKPY-UHFFFAOYSA-N -1 3 363.461 0.793 10 0 FCAEHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]CCCc1ncn(C)n1 ZINC000827924913 669602507 /nfs/dbraw/zinc/60/25/07/669602507.db2.gz LLLQSNBFINHJHY-UHFFFAOYSA-N -1 3 373.822 0.561 10 0 FCAEHM CON(C)C(=O)CN1CCC([C@@H]2OCC[C@H]2[N-]C(=O)C(F)(F)F)CC1 ZINC000831556742 669851850 /nfs/dbraw/zinc/85/18/50/669851850.db2.gz OJROIBKJWRGZGG-YPMHNXCESA-N -1 3 367.368 0.554 10 0 FCAEHM O=S(=O)([N-]C[C@@H]1CCCCN1CCO)c1cnc(Cl)c(F)c1 ZINC000831804312 669868691 /nfs/dbraw/zinc/86/86/91/669868691.db2.gz DXRPVPIMIDINED-JTQLQIEISA-N -1 3 351.831 0.999 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]Cc2cnc(N3CCOCC3)c(F)c2)nn1 ZINC000867112013 669968924 /nfs/dbraw/zinc/96/89/24/669968924.db2.gz JDSYWTVBHVCLNV-UHFFFAOYSA-N -1 3 367.406 0.634 10 0 FCAEHM COC(=O)c1ccoc1S(=O)(=O)[N-][C@@H](C)CCN1CCN(C)CC1 ZINC000867120963 669996981 /nfs/dbraw/zinc/99/69/81/669996981.db2.gz IYCMRFLKZKSAFD-LBPRGKRZSA-N -1 3 359.448 0.371 10 0 FCAEHM C[C@H]1CCCN1CC[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867149196 670018128 /nfs/dbraw/zinc/01/81/28/670018128.db2.gz UKIKZTMKJHQJJQ-VIFPVBQESA-N -1 3 351.270 0.945 10 0 FCAEHM CCN1CCN(CC[N-]S(=O)(=O)N=[S@@](C)(=O)c2ccccc2)CC1 ZINC000867149570 670018584 /nfs/dbraw/zinc/01/85/84/670018584.db2.gz ZTRBWGFWEKCZHC-QHCPKHFHSA-N -1 3 374.532 0.615 10 0 FCAEHM COC[C@H]([N-]S(=O)(=O)c1cn(C)nc1Br)[C@H]1CCCO1 ZINC000867207596 670074845 /nfs/dbraw/zinc/07/48/45/670074845.db2.gz SDWWDTLISFTPKR-DTWKUNHWSA-N -1 3 368.253 0.655 10 0 FCAEHM Cc1cc(N2CCC[C@H]([N-]S(=O)(=O)c3ccc(C)nn3)C2)n(C)n1 ZINC000867196223 670065014 /nfs/dbraw/zinc/06/50/14/670065014.db2.gz SQJPFCAYRAXOSW-ZDUSSCGKSA-N -1 3 350.448 0.774 10 0 FCAEHM CC(C)S(=O)(=O)CC[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867275638 670613016 /nfs/dbraw/zinc/61/30/16/670613016.db2.gz YOVZBYTYNBVAPX-UHFFFAOYSA-N -1 3 374.282 0.284 10 0 FCAEHM COCC[C@@H](COC)[N-]S(=O)(=O)c1cnn(C)c1Br ZINC000867281269 670619745 /nfs/dbraw/zinc/61/97/45/670619745.db2.gz CRROYFIYDZDTSM-QMMMGPOBSA-N -1 3 356.242 0.512 10 0 FCAEHM CO[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cnn(C)c1I ZINC000867281923 670621591 /nfs/dbraw/zinc/62/15/91/670621591.db2.gz KYYPFSPUGCHVIO-RNFRBKRXSA-N -1 3 373.216 0.726 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)OC[C@H]1CN(C2CC2)C(=O)O1 ZINC000845076204 670962951 /nfs/dbraw/zinc/96/29/51/670962951.db2.gz LSKIEASFULGFMV-LLVKDONJSA-N -1 3 373.387 0.096 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)OC[C@H]2CN(C3CC3)C(=O)O2)ccc1F ZINC000845132830 670968637 /nfs/dbraw/zinc/96/86/37/670968637.db2.gz ZWZDOJMUKPIFAU-LLVKDONJSA-N -1 3 372.374 0.874 10 0 FCAEHM NC(=O)[C@H]1C[C@@H](NC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)C1 ZINC000845447555 671004975 /nfs/dbraw/zinc/00/49/75/671004975.db2.gz KOBCBWDHBNVXBG-LPEHRKFASA-N -1 3 350.341 0.350 10 0 FCAEHM CCOC(=O)N1CCC(S(=O)(=O)[N-][C@@H](CCF)C(=O)OC)CC1 ZINC000845975578 671059928 /nfs/dbraw/zinc/05/99/28/671059928.db2.gz KKWCGWXZKTYVQC-NSHDSACASA-N -1 3 354.400 0.428 10 0 FCAEHM CCOC(=O)N1CCC(S(=O)(=O)[N-][C@H](CCF)C(=O)OC)CC1 ZINC000845975576 671059996 /nfs/dbraw/zinc/05/99/96/671059996.db2.gz KKWCGWXZKTYVQC-LLVKDONJSA-N -1 3 354.400 0.428 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-]C[C@H]2CN(C3CC3)C(=O)O2)oc1C ZINC000848513782 671283179 /nfs/dbraw/zinc/28/31/79/671283179.db2.gz PGTRBSHNEPRJLW-JTQLQIEISA-N -1 3 358.372 0.636 10 0 FCAEHM O=C(c1ccccc1)N1CC(S(=O)(=O)[N-][C@H]2CCCC23OCCO3)C1 ZINC000851814836 671469668 /nfs/dbraw/zinc/46/96/68/671469668.db2.gz DHTVJITWJFOGMM-HNNXBMFYSA-N -1 3 366.439 0.726 10 0 FCAEHM CC[C@@H](O)CC(=O)NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1 ZINC000856334101 671683749 /nfs/dbraw/zinc/68/37/49/671683749.db2.gz KFMRDCWMCWSSEZ-LLVKDONJSA-N -1 3 354.407 0.984 10 0 FCAEHM CCN1CCN(CC(=O)N2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)CC1 ZINC000856418153 671687813 /nfs/dbraw/zinc/68/78/13/671687813.db2.gz DQANAPUPTBMPNZ-OLZOCXBDSA-N -1 3 364.412 0.539 10 0 FCAEHM COC(=O)C1CC2(C1)CN(CC(=O)N1CCCC[C@@H]1C)C[C@H]2C(=O)[O-] ZINC000903411615 675929341 /nfs/dbraw/zinc/92/93/41/675929341.db2.gz PTCHRFLKSPFPGQ-FMHYQEOESA-N -1 3 352.431 0.973 10 0 FCAEHM CCc1ncc(S(=O)(=O)[N-]CC(=O)N(C)OCC(F)(F)F)s1 ZINC000856763068 671700865 /nfs/dbraw/zinc/70/08/65/671700865.db2.gz YFFMMPSMMRFKRV-UHFFFAOYSA-N -1 3 361.367 0.936 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]C[C@H](O)c2ccc(C)o2)on1 ZINC000859016699 671789459 /nfs/dbraw/zinc/78/94/59/671789459.db2.gz VQFZPUQSTJGHCB-LBPRGKRZSA-N -1 3 358.372 0.906 10 0 FCAEHM CN1CC[C@](O)(C[N-]S(=O)(=O)c2ccc(Br)nc2F)C1 ZINC000859107455 671794168 /nfs/dbraw/zinc/79/41/68/671794168.db2.gz BBMBIFBETJKWTC-NSHDSACASA-N -1 3 368.228 0.328 10 0 FCAEHM CCO[C@H](CS(=O)(=O)[N-]N1C(=O)NC2(CCCCC2)C1=O)C1CC1 ZINC000859126411 671795310 /nfs/dbraw/zinc/79/53/10/671795310.db2.gz FSAWDNMPRIBWEY-GFCCVEGCSA-N -1 3 359.448 0.891 10 0 FCAEHM CCON(CC)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC000859272190 671806358 /nfs/dbraw/zinc/80/63/58/671806358.db2.gz OAKXGWHAMOVMTG-UHFFFAOYSA-N -1 3 362.795 0.955 10 0 FCAEHM COC(=O)[C@H](C[C@H]1CCCOC1)[N-]S(=O)(=O)CCCOC(C)=O ZINC000859341204 671817497 /nfs/dbraw/zinc/81/74/97/671817497.db2.gz CGIZJPGFACZOER-OLZOCXBDSA-N -1 3 351.421 0.217 10 0 FCAEHM C[C@H]1CCN(C(=O)NC[C@@H]2COCCN2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000861685579 671980681 /nfs/dbraw/zinc/98/06/81/671980681.db2.gz VNXGXQUOQWFXEA-YFKTTZPYSA-N -1 3 366.384 0.462 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CC=C(C(=O)OC)C2)ccc1F ZINC000862665406 672064505 /nfs/dbraw/zinc/06/45/05/672064505.db2.gz YIAAWRLGPFAAPU-NSHDSACASA-N -1 3 356.375 0.725 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@](OC)(C(=O)OC)C2)ccc1F ZINC000862740501 672076215 /nfs/dbraw/zinc/07/62/15/672076215.db2.gz IQGYHKIGOHSWNX-OAHLLOKOSA-N -1 3 374.390 0.138 10 0 FCAEHM CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)Nc1n[n-]c(SCCO)n1 ZINC000863896509 672160587 /nfs/dbraw/zinc/16/05/87/672160587.db2.gz WFSZUWCFODUMCE-BDAKNGLRSA-N -1 3 373.435 0.510 10 0 FCAEHM CS(=O)(=O)CCOCCN=c1cc(-c2ccccc2)n2[n-]cnc2n1 ZINC000865556363 672245007 /nfs/dbraw/zinc/24/50/07/672245007.db2.gz CPNDJLYNJCQZHE-UHFFFAOYSA-N -1 3 361.427 0.686 10 0 FCAEHM O=S(=O)([N-]CCN1CCOCC1)c1cc2nc(Cl)ncc2s1 ZINC000866380594 672269724 /nfs/dbraw/zinc/26/97/24/672269724.db2.gz AMPYSNZEEKMSCG-UHFFFAOYSA-N -1 3 362.864 0.955 10 0 FCAEHM CCOCCC[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866387305 672270395 /nfs/dbraw/zinc/27/03/95/672270395.db2.gz PZEXYHGFEOGBBI-UHFFFAOYSA-N -1 3 373.216 0.730 10 0 FCAEHM C[S@@](=O)(=NS(=O)(=O)[N-]CCCN1CCCC1=O)c1ccccc1 ZINC000866441381 672274151 /nfs/dbraw/zinc/27/41/51/672274151.db2.gz YLQXHVQSXWRHJQ-QFIPXVFZSA-N -1 3 359.473 0.990 10 0 FCAEHM CC(C)COC[C@H](O)C[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000866832395 672315503 /nfs/dbraw/zinc/31/55/03/672315503.db2.gz AZLUPZARJPNPEZ-SECBINFHSA-N -1 3 370.269 0.494 10 0 FCAEHM O=c1[nH]c2cc(F)c(S(=O)(=O)[N-][C@@H]3CCCN(CCF)C3)cc2o1 ZINC000867712851 672357963 /nfs/dbraw/zinc/35/79/63/672357963.db2.gz ISRVACZRMHLOBT-SECBINFHSA-N -1 3 361.370 0.972 10 0 FCAEHM Cc1ccccc1CN1CCO[C@H](C[N-]S(=O)(=O)c2nncn2C)C1 ZINC000867735111 672360331 /nfs/dbraw/zinc/36/03/31/672360331.db2.gz ZBOIJPPGOVNJQL-OAHLLOKOSA-N -1 3 365.459 0.303 10 0 FCAEHM COC(=O)[C@@H](CCC1OCCO1)[N-]S(=O)(=O)C1Cc2ccccc2C1 ZINC000867762953 672364862 /nfs/dbraw/zinc/36/48/62/672364862.db2.gz NPQIYAMIFXMOFW-OAHLLOKOSA-N -1 3 369.439 0.768 10 0 FCAEHM O=C([N-]C[C@H]1CCCN(C(=O)C2(N3CCOCC3)CC2)C1)C(F)(F)F ZINC000868445234 672400961 /nfs/dbraw/zinc/40/09/61/672400961.db2.gz ZEGVMIRTVFUEIC-GFCCVEGCSA-N -1 3 363.380 0.768 10 0 FCAEHM CO[C@@H]1CC[C@H](C)N(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC000870709035 672506197 /nfs/dbraw/zinc/50/61/97/672506197.db2.gz YNXHFWJTLBWPIB-DTWKUNHWSA-N -1 3 360.208 0.737 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCC[C@@H](C)[S@@](C)=O)ccc1F ZINC000134847613 673456658 /nfs/dbraw/zinc/45/66/58/673456658.db2.gz ZKDQQVVUBZRZRA-BTKVJGODSA-N -1 3 350.437 0.621 10 0 FCAEHM COc1cc(C(=O)N[C@H]2CCN(C)[C@H]2C)cc([N-]S(C)(=O)=O)c1OC ZINC000928447657 673910307 /nfs/dbraw/zinc/91/03/07/673910307.db2.gz LDRHQSTWBRBKBH-JQWIXIFHSA-N -1 3 371.459 0.898 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CC(=O)N1C ZINC000800651347 675686933 /nfs/dbraw/zinc/68/69/33/675686933.db2.gz UXCXVLXNZWZNHU-SNVBAGLBSA-N -1 3 369.418 0.569 10 0 FCAEHM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]C[C@H](C)N1CCCCC1=O ZINC000800939721 675718883 /nfs/dbraw/zinc/71/88/83/675718883.db2.gz QZLFDOPYIFETQL-JTQLQIEISA-N -1 3 372.447 0.574 10 0 FCAEHM CC[C@H](CNC(=O)[C@@H]1CCO[C@H]1C1CC1)NC(=O)c1c(C)nc[n-]c1=O ZINC001746184722 1192332195 /nfs/dbraw/zinc/33/21/95/1192332195.db2.gz DMXCNWDFGDPPSE-NFAWXSAZSA-N -1 3 362.430 0.930 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@H]1CCN(C(=O)c2ccon2)[C@@H]1C ZINC001719627247 1170842231 /nfs/dbraw/zinc/84/22/31/1170842231.db2.gz PPQWOXQNWPVZCI-YPMHNXCESA-N -1 3 359.386 0.831 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1CC[C@H](NC(=O)CCc2cnccn2)[C@H]1C ZINC001719644139 1171580493 /nfs/dbraw/zinc/58/04/93/1171580493.db2.gz RTCHKSKTPPPIAD-OCCSQVGLSA-N -1 3 370.413 0.633 10 0 FCAEHM Cn1c2cccc(C(=O)[N-]NC(=O)[C@@H]3Cc4ccccc4O3)c2oc1=O ZINC000161814250 1179269337 /nfs/dbraw/zinc/26/93/37/1179269337.db2.gz CUSOAYAXUCDGON-AWEZNQCLSA-N -1 3 353.334 0.896 10 0 FCAEHM Cn1[n-]c(CN2CC[C@@H](CCNC(=O)[C@@H]3C[C@H]3c3cccnc3)C2)nc1=O ZINC001267565761 1181844707 /nfs/dbraw/zinc/84/47/07/1181844707.db2.gz UEOMQSNRVVJWFY-VNQPRFMTSA-N -1 3 370.457 0.635 10 0 FCAEHM CCN(CCNC(=O)[C@H]1C[C@H]1C(N)=O)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC001745376613 1182340021 /nfs/dbraw/zinc/34/00/21/1182340021.db2.gz XBKLEHFAWQSHLE-OLZOCXBDSA-N -1 3 370.409 0.228 10 0 FCAEHM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N[C@@H]1CCCC(F)(F)[C@H]1O ZINC001687390624 1188342984 /nfs/dbraw/zinc/34/29/84/1188342984.db2.gz DVDKJUWRKWRYJJ-PWSUYJOCSA-N -1 3 358.345 0.603 10 0 FCAEHM C[C@@H]1CO[C@@H](C)CN1CCNC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001687391235 1188352721 /nfs/dbraw/zinc/35/27/21/1188352721.db2.gz WDSCAEWZUBMXGU-NEPJUHHUSA-N -1 3 365.434 0.163 10 0 FCAEHM Cn1cncc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cnc[n-]c1=O ZINC000937497029 1188401876 /nfs/dbraw/zinc/40/18/76/1188401876.db2.gz PDGZXFYSSCDPSV-WUHRBBMRSA-N -1 3 368.397 0.145 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000937539241 1189407107 /nfs/dbraw/zinc/40/71/07/1189407107.db2.gz VCLCHPWSCLYPAO-UBSRFGSGSA-N -1 3 370.409 0.339 10 0 FCAEHM O=C(CCCOc1cccnc1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn[n-]n1)C2 ZINC001719911889 1191054788 /nfs/dbraw/zinc/05/47/88/1191054788.db2.gz KOWQRUMAHJBROM-XPKDYRNWSA-N -1 3 370.413 0.921 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)[C@]3(C4CCCC4)CCNC3=O)CC2)n1 ZINC000899495272 1194162027 /nfs/dbraw/zinc/16/20/27/1194162027.db2.gz RVXRCCFBQRMETB-IBGZPJMESA-N -1 3 373.457 0.836 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)CN3Cc4ccccc4C3=O)CC2)n1 ZINC000899500592 1194163764 /nfs/dbraw/zinc/16/37/64/1194163764.db2.gz KDCQJQCAFKWXRS-UHFFFAOYSA-N -1 3 367.409 0.795 10 0 FCAEHM O=C([O-])[C@H](CF)NC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000908822295 1195768490 /nfs/dbraw/zinc/76/84/90/1195768490.db2.gz VVCNSVLZERILPU-INIZCTEOSA-N -1 3 366.437 0.916 10 0 FCAEHM Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)NCCCc1c[n-][nH]c1=O ZINC001168402623 1196640174 /nfs/dbraw/zinc/64/01/74/1196640174.db2.gz FAXCJANUVGVDGT-GJZGRUSLSA-N -1 3 355.402 0.394 10 0 FCAEHM Cc1cc(N2CC[C@H](OC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)C2=O)n(C)n1 ZINC000744966324 1198341588 /nfs/dbraw/zinc/34/15/88/1198341588.db2.gz DPNTZCBWUFKOQD-ZDUSSCGKSA-N -1 3 368.349 0.574 10 0 FCAEHM CC(=O)N1CCCN(c2ccc(F)cc2NC(=O)[N-]OCC(N)=O)CC1 ZINC000790541372 1201093843 /nfs/dbraw/zinc/09/38/43/1201093843.db2.gz HNCJKIHDVVADTR-UHFFFAOYSA-N -1 3 367.381 0.423 10 0 FCAEHM O=C(NCc1ncccc1[O-])C(=O)Nc1ccc(N2CCOC2=O)cc1 ZINC000792412388 1201193361 /nfs/dbraw/zinc/19/33/61/1201193361.db2.gz BTDZXMJMDOCCIW-UHFFFAOYSA-N -1 3 356.338 0.999 10 0 FCAEHM O=C(NCc1ncccc1[O-])C(=O)Nc1ccccc1N1CCOC1=O ZINC000792412355 1201193954 /nfs/dbraw/zinc/19/39/54/1201193954.db2.gz BCILPRQYIUXEDJ-UHFFFAOYSA-N -1 3 356.338 0.999 10 0 FCAEHM O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)c1nnc2ccccc2c1[O-] ZINC000747436679 1202860461 /nfs/dbraw/zinc/86/04/61/1202860461.db2.gz IAWXNQCBTFCIRA-CQSZACIVSA-N -1 3 356.382 0.845 10 0 FCAEHM O=C(CCCn1c(=O)[n-][nH]c1=O)NC1CCN(Cc2ccccn2)CC1 ZINC001136288155 1203176774 /nfs/dbraw/zinc/17/67/74/1203176774.db2.gz IIGDVMNFTPPGDQ-UHFFFAOYSA-N -1 3 360.418 0.645 10 0 FCAEHM Cc1cc(C=O)c([O-])c(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)c1 ZINC001136743652 1203261956 /nfs/dbraw/zinc/26/19/56/1203261956.db2.gz YMYOPYZYIPBICN-INIZCTEOSA-N -1 3 361.442 0.649 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)[C@H]2CCN(Cc3ccccc3)C2=O)n[n-]1 ZINC001136933159 1203302270 /nfs/dbraw/zinc/30/22/70/1203302270.db2.gz XHBAXVOHVIAQLJ-GFCCVEGCSA-N -1 3 357.370 0.507 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@]1(C)C[C@H](O)CN1C(=O)OC(C)(C)C ZINC001144233345 1204438924 /nfs/dbraw/zinc/43/89/24/1204438924.db2.gz XWRYHPJYMRKRPF-XWCIJXRUSA-N -1 3 368.434 0.375 10 0 FCAEHM CC(=O)Nc1ccc([O-])c(C(=O)NCCc2nnc3n2CCN(C)C3=O)c1 ZINC001176817136 1206321168 /nfs/dbraw/zinc/32/11/68/1206321168.db2.gz YOWARLJKXXRYOB-UHFFFAOYSA-N -1 3 372.385 0.000 10 0 FCAEHM Cn1cc(-c2cncc(C(=O)N[C@H]3CCN(c4cc(=O)[n-]cn4)C3)c2)cn1 ZINC001180028190 1206387838 /nfs/dbraw/zinc/38/78/38/1206387838.db2.gz PIRQANUYLAMJFL-HNNXBMFYSA-N -1 3 365.397 0.986 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccc(N2CCOCC2)nc1 ZINC001180027170 1206387993 /nfs/dbraw/zinc/38/79/93/1206387993.db2.gz FTNDVPPZGYUNHU-AWEZNQCLSA-N -1 3 370.413 0.423 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccc(-n2ccnc2)nc1 ZINC001180027238 1206388100 /nfs/dbraw/zinc/38/81/00/1206388100.db2.gz HFVXDWLTXPCSPT-ZDUSSCGKSA-N -1 3 351.370 0.772 10 0 FCAEHM O=C(NC[C@H](CO)NC(=O)[C@@H]1C[C@H]1c1cccnc1)c1ccccc1[O-] ZINC001487943495 1208411378 /nfs/dbraw/zinc/41/13/78/1208411378.db2.gz CNRYETLTLWSEFH-VNQPRFMTSA-N -1 3 355.394 0.798 10 0 FCAEHM CC/C=C(\C)C(=O)N[C@@H]1CN(C(=O)c2nnc3ccccc3c2[O-])C[C@H]1O ZINC001489302491 1208735089 /nfs/dbraw/zinc/73/50/89/1208735089.db2.gz CCOJRFRLPKNOMN-XBJHSPDSSA-N -1 3 370.409 0.993 10 0 FCAEHM C[C@@H](CCC(C)(C)C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001489362480 1208823044 /nfs/dbraw/zinc/82/30/44/1208823044.db2.gz JCFZHLRQKZDFEA-IACUBPJLSA-N -1 3 364.446 0.946 10 0 FCAEHM CCOCCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001489464059 1208847741 /nfs/dbraw/zinc/84/77/41/1208847741.db2.gz UUUVDPNYKHQNRX-YRGRVCCFSA-N -1 3 366.418 0.201 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)c2cccc3n[n-]nc32)CCN1C(=O)CC(=O)N(C)C ZINC001490095694 1209254190 /nfs/dbraw/zinc/25/41/90/1209254190.db2.gz UKNVNPHZSLVHFL-PWSUYJOCSA-N -1 3 358.402 0.155 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CCNC(=O)c1ccnnc1 ZINC001490469113 1209355409 /nfs/dbraw/zinc/35/54/09/1209355409.db2.gz NWRQXBNLVCIDKO-DGCLKSJQSA-N -1 3 356.386 0.500 10 0 FCAEHM COC(=O)N1CCC(C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)CC1 ZINC000854534261 1209633475 /nfs/dbraw/zinc/63/34/75/1209633475.db2.gz NLQOXBSRANDCMA-UHFFFAOYSA-N -1 3 362.386 1.000 10 0 FCAEHM O=C(N[C@H]1C[C@@H](O)C12CCC2)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC000855921314 1209687246 /nfs/dbraw/zinc/68/72/46/1209687246.db2.gz VFEMOQUWJADMKZ-UONOGXRCSA-N -1 3 359.357 0.907 10 0 FCAEHM O=C(N[C@H]1C[C@@H](O)C12CCC2)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000855921314 1209687248 /nfs/dbraw/zinc/68/72/48/1209687248.db2.gz VFEMOQUWJADMKZ-UONOGXRCSA-N -1 3 359.357 0.907 10 0 FCAEHM CC(C)(C)OC(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)n1 ZINC000856334960 1209706169 /nfs/dbraw/zinc/70/61/69/1209706169.db2.gz OQGSRBGSMQRQBI-YABSGUDNSA-N -1 3 364.402 0.716 10 0 FCAEHM COC(=O)Cc1nnc(NC(=O)c2cc(C)n(-c3ccn(C)n3)c2C)[n-]1 ZINC000857711213 1209758714 /nfs/dbraw/zinc/75/87/14/1209758714.db2.gz OXTFLFZWPLGSCC-UHFFFAOYSA-N -1 3 357.374 0.914 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)c2cc(C)n(-c3ccn(C)n3)c2C)n[n-]1 ZINC000857711213 1209758719 /nfs/dbraw/zinc/75/87/19/1209758719.db2.gz OXTFLFZWPLGSCC-UHFFFAOYSA-N -1 3 357.374 0.914 10 0 FCAEHM COc1cc(NC(=O)C(=O)NCc2nc(C(F)(F)F)n[n-]2)cnc1OC ZINC000861810429 1209884188 /nfs/dbraw/zinc/88/41/88/1209884188.db2.gz LXUCXXPSOZKDPU-UHFFFAOYSA-N -1 3 374.279 0.491 10 0 FCAEHM COc1ncc(CCNC(=O)CCNC(=O)c2ccc(C)cc2[O-])cn1 ZINC000863444706 1209941709 /nfs/dbraw/zinc/94/17/09/1209941709.db2.gz GBIIORYRTQMONZ-UHFFFAOYSA-N -1 3 358.398 0.978 10 0 FCAEHM O=C(CN1CCCCC(=O)C1=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000866596222 1209999383 /nfs/dbraw/zinc/99/93/83/1209999383.db2.gz GTWVYOHPSAFXND-UHFFFAOYSA-N -1 3 373.409 0.258 10 0 FCAEHM COCCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(=O)[n-]c(C3CC3)n1)C2 ZINC001490817658 1211397025 /nfs/dbraw/zinc/39/70/25/1211397025.db2.gz KWNCQSCIRBKOLY-BZPMIXESSA-N -1 3 360.414 0.958 10 0 FCAEHM O=C(CCCn1cncn1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc[n-]c1=O)C2 ZINC001490823331 1211408909 /nfs/dbraw/zinc/40/89/09/1211408909.db2.gz KIIXSTHKPSOFOP-BNOWGMLFSA-N -1 3 371.401 0.116 10 0 FCAEHM CN1C[C@@H](CCNC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)CC1=O ZINC000924732276 1211478772 /nfs/dbraw/zinc/47/87/72/1211478772.db2.gz MYSODXLCQCWWLI-AWEZNQCLSA-N -1 3 374.441 0.728 10 0 FCAEHM CO[C@@H]1CCCN(NC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])C1 ZINC000928417544 1211601629 /nfs/dbraw/zinc/60/16/29/1211601629.db2.gz DRXMZHKIBIIILT-CYBMUJFWSA-N -1 3 362.361 0.630 10 0 FCAEHM CO[C@@H]1CCCN(NC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)C1 ZINC000928417544 1211601632 /nfs/dbraw/zinc/60/16/32/1211601632.db2.gz DRXMZHKIBIIILT-CYBMUJFWSA-N -1 3 362.361 0.630 10 0 FCAEHM Cc1cc(C)nc(-n2[n-]c(C(=O)N(C)[C@@H]3CN4CCC3CC4)cc2=O)n1 ZINC000900660362 1218020768 /nfs/dbraw/zinc/02/07/68/1218020768.db2.gz DWINTPCEEJNHEY-OAHLLOKOSA-N -1 3 356.430 0.739 10 0 FCAEHM Cn1nncc1C(=O)COC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000803280092 1218381189 /nfs/dbraw/zinc/38/11/89/1218381189.db2.gz UGQQBTIKRWMTIA-GFCCVEGCSA-N -1 3 358.354 0.551 10 0 FCAEHM Cn1cc(/C=C/C(=O)Nc2cccc(-c3nc([O-])n[nH]3)c2)c(=O)n(C)c1=O ZINC000803409014 1218400746 /nfs/dbraw/zinc/40/07/46/1218400746.db2.gz RIJFLZBBFFJYRR-VOTSOKGWSA-N -1 3 368.353 0.227 10 0 FCAEHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2ccnc3n[nH]nc32)CC1 ZINC001137344570 1219049202 /nfs/dbraw/zinc/04/92/02/1219049202.db2.gz SZXCVYRMSFTISA-UHFFFAOYSA-N -1 3 352.354 0.657 10 0 FCAEHM C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC(C)(C(=O)[O-])CC1 ZINC001118495206 1221789417 /nfs/dbraw/zinc/78/94/17/1221789417.db2.gz QZTBSBBZGCKPQE-AWEZNQCLSA-N -1 3 361.446 0.700 10 0 FCAEHM O=c1[nH][n-]cc1-c1nnc(N2CCN(C3CC3)CC2)n1C[C@H]1CCOC1 ZINC001123187930 1222323343 /nfs/dbraw/zinc/32/33/43/1222323343.db2.gz GKNNVULNMRMIGO-GFCCVEGCSA-N -1 3 359.434 0.695 10 0 FCAEHM CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CCC(Cc2nnn[n-]2)CC1 ZINC001123984194 1222372926 /nfs/dbraw/zinc/37/29/26/1222372926.db2.gz UIHRGCLHKCSNQC-INIZCTEOSA-N -1 3 354.414 0.959 10 0 FCAEHM CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CCC(Cc2nn[n-]n2)CC1 ZINC001123984194 1222372928 /nfs/dbraw/zinc/37/29/28/1222372928.db2.gz UIHRGCLHKCSNQC-INIZCTEOSA-N -1 3 354.414 0.959 10 0 FCAEHM Cn1ccc(NC(=O)CNC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)n1 ZINC001139595105 1222553597 /nfs/dbraw/zinc/55/35/97/1222553597.db2.gz TXCWENDBAGDTIT-UHFFFAOYSA-N -1 3 361.308 0.908 10 0 FCAEHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC(=O)N[C@@H](C)C2)c1 ZINC001141072349 1222631134 /nfs/dbraw/zinc/63/11/34/1222631134.db2.gz AYXATMCMRWSWDO-VIFPVBQESA-N -1 3 358.354 0.901 10 0 FCAEHM Cn1cc(C=CC(=O)OCc2cc(=O)[n-]c(C3CC3)n2)c(=O)n(C)c1=O ZINC000837403434 1222647162 /nfs/dbraw/zinc/64/71/62/1222647162.db2.gz HFBRLNQFMACKDH-WAYWQWQTSA-N -1 3 358.354 0.214 10 0 FCAEHM O=C(COc1ccc(N2CCCC2=O)cc1)NCCCc1c[n-][nH]c1=O ZINC001149263675 1222881439 /nfs/dbraw/zinc/88/14/39/1222881439.db2.gz WCTQZFONSXSEGP-ZDUSSCGKSA-N -1 3 358.398 0.820 10 0 FCAEHM CCC(=O)N[C@@H](C)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001515069413 1265416223 /nfs/dbraw/zinc/41/62/23/1265416223.db2.gz FSQNCGXMWNFODJ-SDDRHHMPSA-N -1 3 363.418 0.112 10 0 FCAEHM CC(C)OCCN1CCC(NC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CC1 ZINC001327819873 1265434606 /nfs/dbraw/zinc/43/46/06/1265434606.db2.gz UGCLOJUPNHCWOC-RDTXWAMCSA-N -1 3 369.462 0.618 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(C(=O)OC[C@H]2CCN2C2CCOCC2)cn1 ZINC001517123620 1265587184 /nfs/dbraw/zinc/58/71/84/1265587184.db2.gz LNIBFYUNDSFBAK-CQSZACIVSA-N -1 3 369.443 0.863 10 0 FCAEHM O=C1CC[C@H]2CN(c3nnc(-c4nnc(Cl)[n-]4)n3CC3CC3)CCN12 ZINC001519586114 1265735595 /nfs/dbraw/zinc/73/55/95/1265735595.db2.gz COGHRALHZAJRPX-JTQLQIEISA-N -1 3 362.825 0.938 10 0 FCAEHM O=C1CC[C@H]2CN(c3nnc(-c4n[n-]c(Cl)n4)n3CC3CC3)CCN12 ZINC001519586114 1265735598 /nfs/dbraw/zinc/73/55/98/1265735598.db2.gz COGHRALHZAJRPX-JTQLQIEISA-N -1 3 362.825 0.938 10 0 FCAEHM O=C(C(=O)N1OC2CCC1CC2)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001329464240 1265761387 /nfs/dbraw/zinc/76/13/87/1265761387.db2.gz UMGZLXXEAJBOAP-UHFFFAOYSA-N -1 3 373.409 0.762 10 0 FCAEHM CC(C)(CNC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1)N1CCCCC1 ZINC001329468857 1265762526 /nfs/dbraw/zinc/76/25/26/1265762526.db2.gz MEJHFIBYKBEVKV-UHFFFAOYSA-N -1 3 369.462 0.365 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)COCc1cccnc1 ZINC001519921313 1265804740 /nfs/dbraw/zinc/80/47/40/1265804740.db2.gz ZRNPQLCRBAWHGM-DZGCQCFKSA-N -1 3 358.402 0.526 10 0 FCAEHM CC(=O)N[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)c3ccccc3[O-])C[C@@]2(C)C1 ZINC001521519119 1266130714 /nfs/dbraw/zinc/13/07/14/1266130714.db2.gz BLNJUFPULWTUGY-PTAUBWNISA-N -1 3 359.426 0.837 10 0 FCAEHM CC(=O)N[C@H](C)C(=O)N1C[C@H]2CN(C(=O)c3ccccc3[O-])C[C@@]2(C)C1 ZINC001521519122 1266130825 /nfs/dbraw/zinc/13/08/25/1266130825.db2.gz BLNJUFPULWTUGY-SPKLELGKSA-N -1 3 359.426 0.837 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CCNC(=O)C1=COCCO1 ZINC001521966933 1266264747 /nfs/dbraw/zinc/26/47/47/1266264747.db2.gz BMDKQZTVRORGFV-VXGBXAGGSA-N -1 3 362.386 0.285 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CCNC(=O)c1cccc(=O)[nH]1 ZINC001521984270 1266276106 /nfs/dbraw/zinc/27/61/06/1266276106.db2.gz SVUOBQNEYOHXLB-VXGBXAGGSA-N -1 3 371.397 0.811 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CCCCS(C)(=O)=O)c(Br)n1 ZINC001335557178 1259715065 /nfs/dbraw/zinc/71/50/65/1259715065.db2.gz KASOMMAHFNPJKA-UHFFFAOYSA-N -1 3 374.282 0.286 10 0 FCAEHM Cc1cccc(C[C@H](CO)NC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)c1 ZINC001251450836 1259748753 /nfs/dbraw/zinc/74/87/53/1259748753.db2.gz HYXWBLYRVMPHAZ-JKSUJKDBSA-N -1 3 371.441 0.972 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CCC[C@@H](N2CCCC2=O)C1 ZINC001251450941 1259749223 /nfs/dbraw/zinc/74/92/23/1259749223.db2.gz KJOAVTOAQRGWTG-ZIAGYGMSSA-N -1 3 374.445 0.557 10 0 FCAEHM COC(=O)C1CC2(C1)CN(C(=O)N[C@H]1CCN(C3CC3)C1)C[C@H]2C(=O)[O-] ZINC001331906010 1266303113 /nfs/dbraw/zinc/30/31/13/1266303113.db2.gz HDYJLYIKCPBOOM-FFRAGROBSA-N -1 3 365.430 0.519 10 0 FCAEHM O=C(Cn1ccnc1)NC[C@]12CCC[C@H]1N(C(=O)c1cnc[n-]c1=O)CC2 ZINC001522051754 1266323912 /nfs/dbraw/zinc/32/39/12/1266323912.db2.gz NWBOAIJJGQVTDP-RDTXWAMCSA-N -1 3 370.413 0.580 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)CCCNC(=O)C(C)(C)C ZINC001282362560 1261428771 /nfs/dbraw/zinc/42/87/71/1261428771.db2.gz SISAJHREEHYTBK-NEPJUHHUSA-N -1 3 364.450 0.466 10 0 FCAEHM NS(=O)(=O)c1ccc([O-])c(C(=O)NC[C@H]2CCN2C2CCOCC2)c1 ZINC001472070307 1261430623 /nfs/dbraw/zinc/43/06/23/1261430623.db2.gz YWTORBLQKISLHN-GFCCVEGCSA-N -1 3 369.443 0.023 10 0 FCAEHM CO[C@@H](C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)C(=O)OC(C)(C)C ZINC001472253956 1261455780 /nfs/dbraw/zinc/45/57/80/1261455780.db2.gz FINBFCSBWJGYEF-GWCFXTLKSA-N -1 3 352.391 0.234 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC001472253481 1261456064 /nfs/dbraw/zinc/45/60/64/1261456064.db2.gz MUPXFFWWLCYELS-QWHCGFSZSA-N -1 3 371.397 0.519 10 0 FCAEHM CC(=O)N[C@H](C(=O)NN1CC(=O)[N-]C1=O)c1cccc(Br)c1 ZINC001472486332 1261471039 /nfs/dbraw/zinc/47/10/39/1261471039.db2.gz MMCHIDMZUFOVMO-NSHDSACASA-N -1 3 369.175 0.209 10 0 FCAEHM NC(=O)Cc1cccc2c1CCN(C(=O)c1ccc3c(c1)C(=O)[N-]C3=O)C2 ZINC001472610329 1261479810 /nfs/dbraw/zinc/47/98/10/1261479810.db2.gz YJXUHXCUGRVAST-UHFFFAOYSA-N -1 3 363.373 0.797 10 0 FCAEHM C[C@@H]1CN(C(=O)[C@]2(C)CCOC2)C[C@H]1CCNC(=O)c1cnc[n-]c1=O ZINC001282547008 1261521875 /nfs/dbraw/zinc/52/18/75/1261521875.db2.gz ZJRFWWMJWIMNST-SNUQEOBHSA-N -1 3 362.430 0.823 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CCNC(=O)[C@@]1(F)CCOC1 ZINC001282556932 1261528742 /nfs/dbraw/zinc/52/87/42/1261528742.db2.gz ZSYOQUZCWCJLRH-PSTGCABASA-N -1 3 366.393 0.525 10 0 FCAEHM Cc1nc(C)c(CC(=O)N(C)CCN(C)C(=O)[C@]23C[C@H]2COC3)c(=O)[n-]1 ZINC001285372794 1261835872 /nfs/dbraw/zinc/83/58/72/1261835872.db2.gz XWWUQXDLVQBSBA-UGSOOPFHSA-N -1 3 362.430 0.295 10 0 FCAEHM C[C@@H](CNC(=O)c1cccc2n[n-]nc21)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001285760833 1261875668 /nfs/dbraw/zinc/87/56/68/1261875668.db2.gz IPTFBRXTZUTVDV-PXYJVIPOSA-N -1 3 355.398 0.616 10 0 FCAEHM CC(C)(C)[C@@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NC(=O)c1cnc[n-]c1=O ZINC001288217863 1262012731 /nfs/dbraw/zinc/01/27/31/1262012731.db2.gz YTHMXVRSNXBNSX-VEPBNUNMSA-N -1 3 374.441 0.866 10 0 FCAEHM O=C(CCC1CC1)N[C@@H]1CN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C[C@H]1O ZINC001289040878 1262078687 /nfs/dbraw/zinc/07/86/87/1262078687.db2.gz HYRGUYLSOWHRDZ-HUUCEWRRSA-N -1 3 371.393 0.062 10 0 FCAEHM CCCNC(=O)CCC(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001289366587 1262185135 /nfs/dbraw/zinc/18/51/35/1262185135.db2.gz VRWALUPGHUFNAK-DGCLKSJQSA-N -1 3 363.418 0.065 10 0 FCAEHM CC(=O)CCCC(=O)N1CC[C@@H]2CN(C(=O)c3c(C)nc[n-]c3=O)[C@@H]2C1 ZINC001289841938 1262356017 /nfs/dbraw/zinc/35/60/17/1262356017.db2.gz BVLSCQCXJLUEFV-ZIAGYGMSSA-N -1 3 360.414 0.923 10 0 FCAEHM Cc1nc[nH]c1CC(=O)NC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001290962752 1262545532 /nfs/dbraw/zinc/54/55/32/1262545532.db2.gz SOYNPPIURHVSTK-ZYHUDNBSSA-N -1 3 358.402 0.281 10 0 FCAEHM Cc1[nH]nc(C(=O)N2C[C@@H](CNC(=O)CN3CC[C@@H](C)C3)[C@H](C)C2)c1[O-] ZINC001290995688 1262550902 /nfs/dbraw/zinc/55/09/02/1262550902.db2.gz LAYRKZKOSLFPPC-YRGRVCCFSA-N -1 3 363.462 0.590 10 0 FCAEHM COCCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O ZINC001292230134 1262669943 /nfs/dbraw/zinc/66/99/43/1262669943.db2.gz BDADEWOYYWSORB-BNOWGMLFSA-N -1 3 364.402 0.097 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C ZINC001292969045 1262706480 /nfs/dbraw/zinc/70/64/80/1262706480.db2.gz BNEKSMUKHUHBCF-QWHCGFSZSA-N -1 3 367.450 0.166 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)CN1CC[C@@H](c2ccccc2)NC1=O ZINC001292969244 1262707097 /nfs/dbraw/zinc/70/70/97/1262707097.db2.gz FAMCNSVNLBQLHJ-CABCVRRESA-N -1 3 357.414 0.771 10 0 FCAEHM CON(C)C[C@H](O)Cn1cc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cn1 ZINC001295117115 1262757745 /nfs/dbraw/zinc/75/77/45/1262757745.db2.gz GTDURALAHFNMET-LBPRGKRZSA-N -1 3 362.390 0.363 10 0 FCAEHM CC1(C)OCC(NC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])CO1 ZINC001296188538 1262797200 /nfs/dbraw/zinc/79/72/00/1262797200.db2.gz LIDCORJHYNXXOV-UHFFFAOYSA-N -1 3 363.345 0.755 10 0 FCAEHM CC1(C)OCC(NC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)CO1 ZINC001296188538 1262797211 /nfs/dbraw/zinc/79/72/11/1262797211.db2.gz LIDCORJHYNXXOV-UHFFFAOYSA-N -1 3 363.345 0.755 10 0 FCAEHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)C=CC(=O)N(C)C)c2)[n-]1 ZINC001297259936 1262857598 /nfs/dbraw/zinc/85/75/98/1262857598.db2.gz HPKBJOIFYCNNLM-CMDGGOBGSA-N -1 3 371.397 0.909 10 0 FCAEHM CCOC(=O)c1nc(-c2cccc(CNC(=O)C=CC(=O)N(C)C)c2)n[n-]1 ZINC001297259936 1262857605 /nfs/dbraw/zinc/85/76/05/1262857605.db2.gz HPKBJOIFYCNNLM-CMDGGOBGSA-N -1 3 371.397 0.909 10 0 FCAEHM COc1cccc([C@]2(C)NC(=O)N(NC(=O)c3cc(=O)[n-]cn3)C2=O)c1 ZINC001297273534 1262858467 /nfs/dbraw/zinc/85/84/67/1262858467.db2.gz LRDCXVPLONIEAK-INIZCTEOSA-N -1 3 357.326 0.303 10 0 FCAEHM Cc1nc(C)c(CC(=O)NC[C@H](C)NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c(=O)[n-]1 ZINC001298830226 1262944350 /nfs/dbraw/zinc/94/43/50/1262944350.db2.gz PWJYUDRXAHZHLM-RRFMXLFISA-N -1 3 374.441 0.386 10 0 FCAEHM Cc1cc2n[n-]c(NC(=O)Cn3nnnc3-c3ccccc3)c2c(=O)n1C ZINC001299777578 1262978634 /nfs/dbraw/zinc/97/86/34/1262978634.db2.gz BKVOLHKNPKWRNZ-UHFFFAOYSA-N -1 3 364.369 0.862 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCc2cn(CC)c(=O)[nH]c2=O)c1 ZINC001302940498 1263065261 /nfs/dbraw/zinc/06/52/61/1263065261.db2.gz HAGVBOXCYGSROF-UHFFFAOYSA-N -1 3 358.354 0.729 10 0 FCAEHM O=C(NCc1cnc2n1CCCC2)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001478613015 1263138535 /nfs/dbraw/zinc/13/85/35/1263138535.db2.gz MVAFVPAQWPPQSE-LBPRGKRZSA-N -1 3 357.418 0.793 10 0 FCAEHM Cn1cc(Cl)c(CNC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)n1 ZINC001478666367 1263139981 /nfs/dbraw/zinc/13/99/81/1263139981.db2.gz OXVZMJYHOZTZLS-VIFPVBQESA-N -1 3 351.798 0.647 10 0 FCAEHM C[C@@H](Oc1cccnc1)C(=O)NC[C@H]1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001479473101 1263213488 /nfs/dbraw/zinc/21/34/88/1263213488.db2.gz HKXIVKYBJPQPKC-FRRDWIJNSA-N -1 3 360.418 0.747 10 0 FCAEHM CC(C)N(CCS(C)(=O)=O)C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001479507212 1263233889 /nfs/dbraw/zinc/23/38/89/1263233889.db2.gz IGJMBEQZUQSJKB-GFCCVEGCSA-N -1 3 371.463 0.226 10 0 FCAEHM C[C@@H]1CN(CCNC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)[C@@H](C)CO1 ZINC001479506198 1263234003 /nfs/dbraw/zinc/23/40/03/1263234003.db2.gz BOXFHHUDKUXPGY-MJBXVCDLSA-N -1 3 364.450 0.169 10 0 FCAEHM Cc1nc([C@@H]2CCN(C(=O)N[C@@H]3CCN(c4cc(=O)[n-]cn4)C3)C2)no1 ZINC001479506508 1263234490 /nfs/dbraw/zinc/23/44/90/1263234490.db2.gz FAAGHTXQAJLELG-VXGBXAGGSA-N -1 3 359.390 0.651 10 0 FCAEHM COC(=O)C[C@@H]1CN(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)C[C@H]1C ZINC001479509469 1263236243 /nfs/dbraw/zinc/23/62/43/1263236243.db2.gz SILHSXLRRYIJHR-JHJVBQTASA-N -1 3 363.418 0.602 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@H]1CCN(Cc2ccn(C)n2)[C@@H]1C ZINC001316784725 1263475545 /nfs/dbraw/zinc/47/55/45/1263475545.db2.gz FQPKRCBIAQCRJI-CJNGLKHVSA-N -1 3 358.446 0.936 10 0 FCAEHM C[C@H](CCCNCc1n[nH]c(=O)[n-]1)NC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001485730563 1263515003 /nfs/dbraw/zinc/51/50/03/1263515003.db2.gz SLLAUBZJBLAGQQ-KWCYVHTRSA-N -1 3 351.451 0.948 10 0 FCAEHM Cc1nnc(CN2CCN(C(=O)CCc3c(C)nc(C)[n-]c3=O)CC2)[nH]1 ZINC001318909771 1263625040 /nfs/dbraw/zinc/62/50/40/1263625040.db2.gz JVSHHRKXESQQNU-UHFFFAOYSA-N -1 3 359.434 0.503 10 0 FCAEHM C[C@H]1COCC[C@@H]1C(=O)NCC(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC001320954285 1263886139 /nfs/dbraw/zinc/88/61/39/1263886139.db2.gz WUCCYXARWDBVDK-UWVGGRQHSA-N -1 3 360.370 0.768 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@](C)(NC(=O)[C@]12C[C@H]1COC2)C1CC1 ZINC001499646826 1264038982 /nfs/dbraw/zinc/03/89/82/1264038982.db2.gz LUHJGJUBYXXGLG-IGNZVWTISA-N -1 3 360.414 0.542 10 0 FCAEHM C[C@H](CNC(=O)c1cnc[n-]c1=O)CNC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001500245030 1264058976 /nfs/dbraw/zinc/05/89/76/1264058976.db2.gz HJVWRDUUWPLLBA-FPMFFAJLSA-N -1 3 355.398 0.863 10 0 FCAEHM CC(C)C[C@@H]1C[C@H]1C(=O)N1CCC[C@](CO)(NCc2nc(=O)n(C)[n-]2)C1 ZINC001502588384 1264177748 /nfs/dbraw/zinc/17/77/48/1264177748.db2.gz DOMFKIZXWIJZDG-LBTNJELSSA-N -1 3 365.478 0.234 10 0 FCAEHM O=C(NC[C@]1(O)CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1)c1ncccc1[O-] ZINC001506815777 1264343041 /nfs/dbraw/zinc/34/30/41/1264343041.db2.gz SMGJYLHZBBNWPE-SEDUGSJDSA-N -1 3 371.397 0.007 10 0 FCAEHM O=C(NC1(CCO)CN(C(=O)c2ncccc2[O-])C1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001509182713 1264443709 /nfs/dbraw/zinc/44/37/09/1264443709.db2.gz FTSMZOSGJAKZQG-VXGBXAGGSA-N -1 3 371.397 0.007 10 0 FCAEHM Cn1[n-]c(CNC[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C2CCCC2)nc1=O ZINC001324497426 1264659731 /nfs/dbraw/zinc/65/97/31/1264659731.db2.gz LTTLEQWXMKYVSH-KBXIAJHMSA-N -1 3 363.462 0.441 10 0 FCAEHM CCCCO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1O ZINC001512899062 1264722129 /nfs/dbraw/zinc/72/21/29/1264722129.db2.gz RJVQAPJWIMSRAQ-JGGQBBKZSA-N -1 3 350.415 0.899 10 0 FCAEHM COC[C@@H](OC)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC001513210678 1264963730 /nfs/dbraw/zinc/96/37/30/1264963730.db2.gz PGBMUMRORXLYFA-LERXQTSPSA-N -1 3 361.402 0.196 10 0 FCAEHM CO[C@@H]1CN(C(=O)CC(C)(C)CC(F)F)C[C@H]1NC(=O)c1cn[n-]n1 ZINC001513393564 1265092956 /nfs/dbraw/zinc/09/29/56/1265092956.db2.gz RDMFFOZBHKVKSS-GHMZBOCLSA-N -1 3 359.377 0.832 10 0 FCAEHM CO[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1NC(=O)COCC(F)F ZINC001513395108 1265095235 /nfs/dbraw/zinc/09/52/35/1265095235.db2.gz KYSWKOLZAKIVAR-DGCLKSJQSA-N -1 3 358.341 0.630 10 0 FCAEHM CCCCOCC(=O)N1CC[C@@H]2CN(C(=O)c3c(C)nc[n-]c3=O)[C@@H]2C1 ZINC001514077841 1265321501 /nfs/dbraw/zinc/32/15/01/1265321501.db2.gz SUHMVMDHAATYRG-ZIAGYGMSSA-N -1 3 362.430 0.980 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1ccnc1)C2 ZINC001522311492 1266485984 /nfs/dbraw/zinc/48/59/84/1266485984.db2.gz WRCGIZOWYKRJOS-MCIONIFRSA-N -1 3 370.413 0.639 10 0 FCAEHM C(Cc1nnc(N2CC[C@@H](C3CC3)C2)n1C[C@@H]1CCCO1)c1nnn[n-]1 ZINC001525274423 1266749565 /nfs/dbraw/zinc/74/95/65/1266749565.db2.gz BMLKMWRPBOUNJK-KGLIPLIRSA-N -1 3 358.450 0.992 10 0 FCAEHM C(Cc1nnc(N2CC[C@@H](C3CC3)C2)n1C[C@@H]1CCCO1)c1nn[n-]n1 ZINC001525274423 1266749568 /nfs/dbraw/zinc/74/95/68/1266749568.db2.gz BMLKMWRPBOUNJK-KGLIPLIRSA-N -1 3 358.450 0.992 10 0 FCAEHM CN(CCNC(=O)c1ccccc1[O-])C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001527933637 1266936411 /nfs/dbraw/zinc/93/64/11/1266936411.db2.gz WBBSYHQCOVEGED-DOMZBBRYSA-N -1 3 363.414 0.394 10 0 FCAEHM CC(C)(C)[N-]S(=O)(=O)c1cnc(NC(=O)CO[C@H]2CCOC2)s1 ZINC001532193224 1267161265 /nfs/dbraw/zinc/16/12/65/1267161265.db2.gz ZRIMOCFLVZQOJW-VIFPVBQESA-N -1 3 363.461 0.964 10 0 FCAEHM CC(C)(C)[N-]S(=O)(=O)c1cnc(NC(=O)CCS(C)(=O)=O)s1 ZINC001535300436 1267288754 /nfs/dbraw/zinc/28/87/54/1267288754.db2.gz NHCKWDXGCOQEGX-UHFFFAOYSA-N -1 3 369.490 0.593 10 0 FCAEHM Cn1cc([C@@H]2CSCCCN2C(=O)c2[nH]c(=O)[n-]c(=O)c2N)cn1 ZINC001536521942 1267328603 /nfs/dbraw/zinc/32/86/03/1267328603.db2.gz SINHGYSDCUEAOU-VIFPVBQESA-N -1 3 350.404 0.524 10 0 FCAEHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)NCC[C@@H]1CCC2(CCOCC2)CO1 ZINC001537577638 1267376529 /nfs/dbraw/zinc/37/65/29/1267376529.db2.gz SOCKVVBEXHMWRY-JTQLQIEISA-N -1 3 352.391 0.566 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)Cc1csc(S[C@H](C)C(N)=O)n1 ZINC001542942067 1267513985 /nfs/dbraw/zinc/51/39/85/1267513985.db2.gz OXKQOELLPYLWQG-PSASIEDQSA-N -1 3 369.472 0.280 10 0 FCAEHM COC(=O)[C@@]1(C)C[C@H](OC)CN1C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC001544161422 1267572210 /nfs/dbraw/zinc/57/22/10/1267572210.db2.gz YBCJIPOCNYVQKE-YVEFUNNKSA-N -1 3 351.403 0.911 10 0 FCAEHM CN(C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)C(=O)c1cnc[n-]c1=O ZINC001338666005 1268032517 /nfs/dbraw/zinc/03/25/17/1268032517.db2.gz ODVPNKVUQVPLSY-CBBWQLFWSA-N -1 3 374.441 0.676 10 0 FCAEHM CCN1CC[C@@H]1CNC(=O)C(=O)NCc1ccc([O-])c(Br)c1 ZINC001338699680 1268049645 /nfs/dbraw/zinc/04/96/45/1268049645.db2.gz SOHGCWYLCJOHHO-LLVKDONJSA-N -1 3 370.247 0.981 10 0 FCAEHM CN1C[C@@H](C(=O)Nc2ncccc2[O-])N(C(=O)OC(C)(C)C)CC1=O ZINC001556164586 1268822807 /nfs/dbraw/zinc/82/28/07/1268822807.db2.gz JZLUQLSUNAXUDO-JTQLQIEISA-N -1 3 350.375 0.803 10 0 FCAEHM CC(C)(C)OC(=O)NC1(CC(=O)N2CCc3nc[n-]c(=O)c3C2)COC1 ZINC001556252855 1268838660 /nfs/dbraw/zinc/83/86/60/1268838660.db2.gz OUMJUPXVUZLJNB-UHFFFAOYSA-N -1 3 364.402 0.751 10 0 FCAEHM O=C(CNS(=O)(=O)c1cccs1)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001557319615 1268943732 /nfs/dbraw/zinc/94/37/32/1268943732.db2.gz BRGIATFUKBKDHV-UHFFFAOYSA-N -1 3 360.442 0.127 10 0 FCAEHM O=C(COCCNC(=O)c1ccccc1)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001557322075 1268944186 /nfs/dbraw/zinc/94/41/86/1268944186.db2.gz VMUNIZHUTWDLKO-UHFFFAOYSA-N -1 3 362.411 0.534 10 0 FCAEHM O=C(CSc1nnnn1C1CCCC1)NCCCc1c[n-][nH]c1=O ZINC001557700719 1268968704 /nfs/dbraw/zinc/96/87/04/1268968704.db2.gz AKFHUHROXVAHTK-JTQLQIEISA-N -1 3 351.436 0.509 10 0 FCAEHM O=C(CSCC(=O)N1CCOCC1)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001558311309 1269064063 /nfs/dbraw/zinc/06/40/63/1269064063.db2.gz QVRYYCCDYKWHJS-UHFFFAOYSA-N -1 3 366.443 0.268 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCC[C@H](NC(=O)c3ccnc4n[nH]nc43)C2)n1 ZINC001558349880 1269075480 /nfs/dbraw/zinc/07/54/80/1269075480.db2.gz JDBSILYQQKLLHD-JTQLQIEISA-N -1 3 354.374 0.556 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)c3cnc(C4CC4)nc3N)CC2)n1 ZINC001558399773 1269084220 /nfs/dbraw/zinc/08/42/20/1269084220.db2.gz VTKPRNBPIOXHGS-UHFFFAOYSA-N -1 3 355.402 0.703 10 0 FCAEHM COC(=O)c1cc(NC(=O)CN2CC(=O)N(C)C2=O)c([O-])c(OC)c1 ZINC001558678068 1269129924 /nfs/dbraw/zinc/12/99/24/1269129924.db2.gz POSMGFSHCQGYQY-UHFFFAOYSA-N -1 3 351.315 0.020 10 0 FCAEHM COC(=O)c1cc(NC(=O)CCC(=O)N2CCOCC2)c([O-])c(OC)c1 ZINC001558677269 1269130038 /nfs/dbraw/zinc/13/00/38/1269130038.db2.gz JXTCPBDJRUSOJS-UHFFFAOYSA-N -1 3 366.370 0.765 10 0 FCAEHM CC(C)C(=O)N[C@@H](CO)C(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001558730450 1269134841 /nfs/dbraw/zinc/13/48/41/1269134841.db2.gz HFDDICVPTMTBGR-AVGNSLFASA-N -1 3 350.419 0.458 10 0 FCAEHM C[C@H](CC(=O)NCc1cn(C)cn1)[N-]S(=O)(=O)c1cccnc1Cl ZINC001558759071 1269137451 /nfs/dbraw/zinc/13/74/51/1269137451.db2.gz INMCHHOPZUHXFW-SNVBAGLBSA-N -1 3 371.850 0.842 10 0 FCAEHM O=C(NC[C@H]1CC(=O)N(C2CC2)C1)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001564428097 1269420888 /nfs/dbraw/zinc/42/08/88/1269420888.db2.gz RQTAUFOAEQURPN-VXGBXAGGSA-N -1 3 360.418 0.071 10 0 FCAEHM CCNC(=O)CCCC(=O)N1C[C@@H](C)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001342343284 1269436310 /nfs/dbraw/zinc/43/63/10/1269436310.db2.gz BFEVESQUEXBNSG-DGCLKSJQSA-N -1 3 363.418 0.065 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)Cc1cccc(NS(C)(=O)=O)c1 ZINC001565611706 1269481775 /nfs/dbraw/zinc/48/17/75/1269481775.db2.gz OTEKNJPMGYVOIJ-ZDUSSCGKSA-N -1 3 352.416 0.229 10 0 FCAEHM Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)c1[O-] ZINC001342479587 1269486189 /nfs/dbraw/zinc/48/61/89/1269486189.db2.gz OTGCNOJHEIBZIC-QKCSRTOESA-N -1 3 351.451 0.587 10 0 FCAEHM CC(=O)N[C@@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001342673364 1269559523 /nfs/dbraw/zinc/55/95/23/1269559523.db2.gz KRLHTYMDJMZGGN-HZUKXOBISA-N -1 3 370.413 0.054 10 0 FCAEHM CO[C@@H]1CN(C(=O)CSC(C)C)C[C@H]1NC(=O)c1cnc[n-]c1=O ZINC001342939259 1269689409 /nfs/dbraw/zinc/68/94/09/1269689409.db2.gz FGEUQWQROBQPDU-VXGBXAGGSA-N -1 3 354.432 0.279 10 0 FCAEHM O=C([C@@H]1C[C@H]1c1c[nH]cn1)N1CCC[C@H](CCNCc2n[nH]c(=O)[n-]2)C1 ZINC001568060345 1269717861 /nfs/dbraw/zinc/71/78/61/1269717861.db2.gz KLZYCNBAJUSLBF-JHJVBQTASA-N -1 3 359.434 0.755 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)N[C@H](CNCc1nc(=O)n(C)[n-]1)C1CCCC1 ZINC001569606446 1269792508 /nfs/dbraw/zinc/79/25/08/1269792508.db2.gz GDLSYGFBSQOFSX-KFWWJZLASA-N -1 3 365.478 0.688 10 0 FCAEHM CC/C(C)=C\C(=O)N[C@@H]1CN(C(=O)c2nnc3ccccc3c2[O-])C[C@@H]1O ZINC001343345169 1269867517 /nfs/dbraw/zinc/86/75/17/1269867517.db2.gz MYWPYQLRLACDFV-DLTMEVEPSA-N -1 3 370.409 0.993 10 0 FCAEHM CC/C(C)=C\C(=O)N[C@@H]1CN(C(=O)CCc2c(C)nc[n-]c2=O)C[C@@H]1O ZINC001343342960 1269868448 /nfs/dbraw/zinc/86/84/48/1269868448.db2.gz ATZIZBSBSFVGQX-PHACEPHWSA-N -1 3 362.430 0.467 10 0 FCAEHM O=C(NC1(CNC(=O)[C@]23C[C@H]2COC3)CCCCC1)c1cnc[n-]c1=O ZINC001571906123 1269979630 /nfs/dbraw/zinc/97/96/30/1269979630.db2.gz INZOCNDWQFMBNB-SGTLLEGYSA-N -1 3 360.414 0.768 10 0 FCAEHM CC(C)=CC(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)n1 ZINC001344649388 1270217483 /nfs/dbraw/zinc/21/74/83/1270217483.db2.gz FROIOLAMVREMCZ-CHWSQXEVSA-N -1 3 370.413 0.908 10 0 FCAEHM COCC(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)CC[C@@H]1c1ccccc1 ZINC001344663212 1270219689 /nfs/dbraw/zinc/21/96/89/1270219689.db2.gz NVUPSXTVDKZDTA-GDBMZVCRSA-N -1 3 370.409 0.943 10 0 FCAEHM O=C(COCC(F)F)N1CC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@@H]2C1 ZINC001345077680 1270320638 /nfs/dbraw/zinc/32/06/38/1270320638.db2.gz KJJOFEQYOGQBGW-MNOVXSKESA-N -1 3 370.356 0.384 10 0 FCAEHM COCCOCCC(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1OC ZINC001572956559 1270404766 /nfs/dbraw/zinc/40/47/66/1270404766.db2.gz SEJONJGCJCLOLK-GDBMZVCRSA-N -1 3 366.414 0.401 10 0 FCAEHM CCO[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CNC(=O)C1(CF)CC1 ZINC001573215627 1270682890 /nfs/dbraw/zinc/68/28/90/1270682890.db2.gz IPSROZREESOFGJ-DGCLKSJQSA-N -1 3 366.393 0.525 10 0 FCAEHM CO[C@H](CC(C)C)C(=O)N1CC[C@H](NC(=O)c2cnc[n-]c2=O)[C@H]1C ZINC001573526197 1270813590 /nfs/dbraw/zinc/81/35/90/1270813590.db2.gz MDKRXXJEVORFRU-KWCYVHTRSA-N -1 3 350.419 0.963 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1CNC(=O)C1(NC(N)=O)CC1 ZINC001573819729 1270893007 /nfs/dbraw/zinc/89/30/07/1270893007.db2.gz MMULAHFPDMRJLD-VXGBXAGGSA-N -1 3 360.414 0.417 10 0 FCAEHM COCCOCCC(=O)N1C[C@@H](CNC(=O)c2cnc[n-]c2=O)[C@H](C)C1 ZINC001573857428 1270910448 /nfs/dbraw/zinc/91/04/48/1270910448.db2.gz DBGZAABPBHORGS-CHWSQXEVSA-N -1 3 366.418 0.060 10 0 FCAEHM CC(C)OCC(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2cnc[n-]c2=O)C1 ZINC001574002498 1270985513 /nfs/dbraw/zinc/98/55/13/1270985513.db2.gz GKRZDFDSSZDQAZ-CHWSQXEVSA-N -1 3 350.419 0.822 10 0 FCAEHM Cc1nn[nH]c1C(=O)NCC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001574026118 1271002779 /nfs/dbraw/zinc/00/27/79/1271002779.db2.gz FCNMXCFFBPYELK-MWLCHTKSSA-N -1 3 359.390 0.137 10 0 FCAEHM O=C(NCC[C@H]1CCN(Cc2cc(=O)n3[n-]ccc3n2)C1)[C@]12C[C@H]1COC2 ZINC001713727790 1287292386 /nfs/dbraw/zinc/29/23/86/1287292386.db2.gz GWOGCVJDGAJIDY-NJSLBKSFSA-N -1 3 371.441 0.387 10 0 FCAEHM NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC(CCNCc3n[nH]c(=O)[n-]3)CC2)C1 ZINC001714283466 1287318837 /nfs/dbraw/zinc/31/88/37/1287318837.db2.gz KBSYGCSWANGARC-OLZOCXBDSA-N -1 3 364.450 0.130 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)NC1(CNCc2nc(=O)n(C)[n-]2)CCCC1 ZINC001715090910 1287343796 /nfs/dbraw/zinc/34/37/96/1287343796.db2.gz GEXVIENYFNQVHF-OCCSQVGLSA-N -1 3 351.451 0.442 10 0 FCAEHM CCN(CCNC(=O)[C@]12C[C@H]1COC2)C(=O)Cc1c(C)nc(C)[n-]c1=O ZINC001581108642 1279404759 /nfs/dbraw/zinc/40/47/59/1279404759.db2.gz FSLZIQUNDNDFMO-UGSOOPFHSA-N -1 3 362.430 0.343 10 0 FCAEHM COC(=O)COc1cccc(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)c1 ZINC001603292837 1287348251 /nfs/dbraw/zinc/34/82/51/1287348251.db2.gz TWHVKDBSOAJIKI-CYBMUJFWSA-N -1 3 372.381 0.743 10 0 FCAEHM CC(C)C[C@@H](CNCc1nc(=O)n(C)[n-]1)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001715389157 1287351168 /nfs/dbraw/zinc/35/11/68/1287351168.db2.gz HQNCNAQUJMIBII-GNIPQWQFSA-N -1 3 363.462 0.152 10 0 FCAEHM C[C@H](CNCc1cc(=O)n2[n-]ccc2n1)NC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001716405596 1287378909 /nfs/dbraw/zinc/37/89/09/1287378909.db2.gz KSOHYBFTGVXSTH-ZLENFMNRSA-N -1 3 359.430 0.432 10 0 FCAEHM CCCC[C@@H](CNCc1nc(=O)n(C)[n-]1)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001717531449 1287428005 /nfs/dbraw/zinc/42/80/05/1287428005.db2.gz KVVYVWPVBFXGNJ-GNIPQWQFSA-N -1 3 363.462 0.296 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@H](C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001718562360 1287519498 /nfs/dbraw/zinc/51/94/98/1287519498.db2.gz ULLRCYCKFCZMPX-YUSALJHKSA-N -1 3 358.402 0.594 10 0 FCAEHM Cn1cc([C@@H]2C[C@H]2C(=O)N[C@@H](CO)CNC(=O)c2ccccc2[O-])cn1 ZINC001718600250 1287526768 /nfs/dbraw/zinc/52/67/68/1287526768.db2.gz WVTVXDIIFJRWLZ-VHDGCEQUSA-N -1 3 358.398 0.136 10 0 FCAEHM Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001583368389 1282084989 /nfs/dbraw/zinc/08/49/89/1282084989.db2.gz CBROMVWJKZSVJY-UHFFFAOYSA-N -1 3 372.428 0.553 10 0 FCAEHM CCOC(Cn1cc(C(=O)NCc2nc(C)cc(=O)[n-]2)nn1)OCC ZINC001583383176 1282086973 /nfs/dbraw/zinc/08/69/73/1282086973.db2.gz QDFJYTUPZRADMN-UHFFFAOYSA-N -1 3 350.379 0.411 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NC[C@H](CO)NC(=O)c1c[n-]c2ccccc2c1=O ZINC001718646195 1287549437 /nfs/dbraw/zinc/54/94/37/1287549437.db2.gz BMGNCOSRBFHYGO-YRGRVCCFSA-N -1 3 357.410 0.781 10 0 FCAEHM O=C([C@H](O)[C@H](O)c1nc2ccccc2[nH]1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001631827131 1282118635 /nfs/dbraw/zinc/11/86/35/1282118635.db2.gz VNBZUPBUIQVATJ-TURNYIBQSA-N -1 3 357.370 0.402 10 0 FCAEHM CCOC(Cn1cc(C(=O)NCCc2c(C)[n-][nH]c2=O)cn1)OCC ZINC001632758816 1282204524 /nfs/dbraw/zinc/20/45/24/1282204524.db2.gz TYQNAMMNZSWLBP-ZDUSSCGKSA-N -1 3 351.407 0.524 10 0 FCAEHM CCn1cc(CC(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)nn1 ZINC001585790537 1282244533 /nfs/dbraw/zinc/24/45/33/1282244533.db2.gz PYRMEXWNGWXSIQ-UHFFFAOYSA-N -1 3 373.385 0.213 10 0 FCAEHM O=C(CCC(=O)N1CC(=O)Nc2ccccc21)NCCCc1c[n-][nH]c1=O ZINC001585933226 1282256505 /nfs/dbraw/zinc/25/65/05/1282256505.db2.gz FDSFXFPIECNXPR-GFCCVEGCSA-N -1 3 371.397 0.380 10 0 FCAEHM CN(C[C@H](O)CNC(=O)c1cnc[n-]c1=O)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001718762628 1287560873 /nfs/dbraw/zinc/56/08/73/1287560873.db2.gz CKUANGOUTIQZPK-XJFOESAGSA-N -1 3 360.414 0.334 10 0 FCAEHM C[C@H](C(=O)NCCCc1c[n-][nH]c1=O)S(=O)(=O)c1ccc(F)cc1 ZINC001634142896 1282303302 /nfs/dbraw/zinc/30/33/02/1282303302.db2.gz CCLADBNYGDUMCA-GHMZBOCLSA-N -1 3 355.391 0.616 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)c3cn(-c4cccnc4)nn3)CC2)n1 ZINC001634977948 1282368441 /nfs/dbraw/zinc/36/84/41/1282368441.db2.gz OQPAUHALUQHAHP-UHFFFAOYSA-N -1 3 366.385 0.429 10 0 FCAEHM CCOC(=O)[C@@]1(C)CN(C(=O)c2cc(S(=O)(=O)[N-]C)oc2C)CCO1 ZINC001587700350 1282374879 /nfs/dbraw/zinc/37/48/79/1282374879.db2.gz OEXFGZYZTTVJOW-OAHLLOKOSA-N -1 3 374.415 0.290 10 0 FCAEHM CN(C[C@H](O)CNC(=O)c1cnc[n-]c1=O)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001718771154 1287568291 /nfs/dbraw/zinc/56/82/91/1287568291.db2.gz YMJLTTNJYAQUOS-RFQIPJPRSA-N -1 3 362.430 0.558 10 0 FCAEHM CC1(C)OC[C@@H](CNC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])O1 ZINC001587844754 1282381283 /nfs/dbraw/zinc/38/12/83/1282381283.db2.gz PRDIYTZFKCKZJD-GFCCVEGCSA-N -1 3 363.345 0.755 10 0 FCAEHM CC1(C)OC[C@@H](CNC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)O1 ZINC001587844754 1282381294 /nfs/dbraw/zinc/38/12/94/1282381294.db2.gz PRDIYTZFKCKZJD-GFCCVEGCSA-N -1 3 363.345 0.755 10 0 FCAEHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc(-n2cnnn2)cn1 ZINC001588131438 1282403805 /nfs/dbraw/zinc/40/38/05/1282403805.db2.gz PBZYJXGUFAVBOS-UHFFFAOYSA-N -1 3 359.371 0.681 10 0 FCAEHM CN1C(=O)CC[C@H]1C(=O)Nc1ncc(S(=O)(=O)[N-]C(C)(C)C)s1 ZINC001588299872 1282415869 /nfs/dbraw/zinc/41/58/69/1282415869.db2.gz UERDLCOWFVPMFP-QMMMGPOBSA-N -1 3 360.461 0.779 10 0 FCAEHM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1ccnn1CC(F)(F)F ZINC001636322290 1282486859 /nfs/dbraw/zinc/48/68/59/1282486859.db2.gz OFWRQGBMZPGBPL-UHFFFAOYSA-N -1 3 357.292 0.944 10 0 FCAEHM CS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1 ZINC001636854835 1282542387 /nfs/dbraw/zinc/54/23/87/1282542387.db2.gz HQWPAMWPEAEAGN-LBPRGKRZSA-N -1 3 362.411 0.594 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CC[C@@H](NC(=O)c3cc(Br)n[nH]3)C2)n1 ZINC001638198639 1282671662 /nfs/dbraw/zinc/67/16/62/1282671662.db2.gz BQKAZBYBODGUQA-MRVPVSSYSA-N -1 3 367.207 0.985 10 0 FCAEHM COCCOCCc1ncc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)[nH]1 ZINC001639297907 1282768896 /nfs/dbraw/zinc/76/88/96/1282768896.db2.gz GRPQJIYTWGWWPK-NSHDSACASA-N -1 3 365.390 0.724 10 0 FCAEHM O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001640104471 1282837903 /nfs/dbraw/zinc/83/79/03/1282837903.db2.gz DHXXTMYPVGNBRS-JHJVBQTASA-N -1 3 373.413 0.052 10 0 FCAEHM O=C(NCCCc1ccccc1)C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001640105101 1282839263 /nfs/dbraw/zinc/83/92/63/1282839263.db2.gz WIQYJMBCHSVGGI-OAHLLOKOSA-N -1 3 369.425 0.626 10 0 FCAEHM CS(=O)(=O)c1cc(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)co1 ZINC001640109976 1282839877 /nfs/dbraw/zinc/83/98/77/1282839877.db2.gz LICFZRAFPLALTQ-JTQLQIEISA-N -1 3 352.372 0.187 10 0 FCAEHM COC(=O)Cc1sccc1C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001640110787 1282841810 /nfs/dbraw/zinc/84/18/10/1282841810.db2.gz WNWFNOLABYAGQL-SNVBAGLBSA-N -1 3 362.411 0.968 10 0 FCAEHM C[C@]1(C[C@H]2CCCN2C(=O)c2cc(=O)[n-]c(C3CC3)n2)NC(=O)NC1=O ZINC001640482983 1282866395 /nfs/dbraw/zinc/86/63/95/1282866395.db2.gz FGAJVPFHKLOHKH-BMLIUANNSA-N -1 3 359.386 0.652 10 0 FCAEHM COCCN(CC(=O)NCCCc1cc(=O)[nH][n-]1)C(=O)OC(C)(C)C ZINC001641915996 1282981289 /nfs/dbraw/zinc/98/12/89/1282981289.db2.gz CUCFTSOIDRDEPY-UHFFFAOYSA-N -1 3 356.423 0.642 10 0 FCAEHM CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCCCc2c[n-][nH]c2=O)c1 ZINC001642445855 1283011220 /nfs/dbraw/zinc/01/12/20/1283011220.db2.gz PAMOQIXLWYVPBT-VIFPVBQESA-N -1 3 372.834 0.490 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N(CCN(C)C(=O)[C@]12C[C@H]1COC2)C(C)C ZINC001680967755 1283465940 /nfs/dbraw/zinc/46/59/40/1283465940.db2.gz UYXBNMXRGGIKEZ-UGSOOPFHSA-N -1 3 362.430 0.836 10 0 FCAEHM CCC(=O)N[C@H](C)C(=O)N1CC[C@H]2CN(C(=O)c3ccccc3[O-])C[C@H]21 ZINC001682234444 1283542100 /nfs/dbraw/zinc/54/21/00/1283542100.db2.gz HIBYYACBXHSNKQ-VNHYZAJKSA-N -1 3 359.426 0.980 10 0 FCAEHM C[C@@H](CC(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1O)c1ccco1 ZINC001682561491 1283677719 /nfs/dbraw/zinc/67/77/19/1283677719.db2.gz AELCORVZJNKCFQ-CYZMBNFOSA-N -1 3 360.370 0.271 10 0 FCAEHM CO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C)C[C@H]1NC(=O)CCc1c(C)nc[n-]c1=O ZINC001683265751 1283917625 /nfs/dbraw/zinc/91/76/25/1283917625.db2.gz SJRPZTPPXLCSDB-JUDXGUMMSA-N -1 3 362.430 0.421 10 0 FCAEHM CCC(CC)CC(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@@H]1O ZINC001683638281 1284070651 /nfs/dbraw/zinc/07/06/51/1284070651.db2.gz ZLRNRNYJZQQMQQ-OLZOCXBDSA-N -1 3 350.419 0.618 10 0 FCAEHM O=C(NCC1CC1)C(=O)N1C[C@H]2CCN(C(=O)c3ccccc3[O-])C[C@H]21 ZINC001683865388 1284123011 /nfs/dbraw/zinc/12/30/11/1284123011.db2.gz XAPWZJOJYKGQAT-UKRRQHHQSA-N -1 3 357.410 0.591 10 0 FCAEHM COC[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1c(C)nc[n-]c1=O ZINC001683933139 1284130864 /nfs/dbraw/zinc/13/08/64/1284130864.db2.gz XZGAEEMGDNOUJY-CYZMBNFOSA-N -1 3 350.419 0.930 10 0 FCAEHM CO[C@]12CCC[C@@]1(NC(=O)N[C@H]1CCN(c3cc(=O)[n-]cn3)C1)CCO2 ZINC001684560022 1284201227 /nfs/dbraw/zinc/20/12/27/1284201227.db2.gz AVUINAFLWMIGBU-VUCTXSBTSA-N -1 3 363.418 0.746 10 0 FCAEHM CC(=O)N[C@H](C)C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1cnc[n-]c1=O ZINC001684676387 1284245477 /nfs/dbraw/zinc/24/54/77/1284245477.db2.gz LQNXSHXYNZEKBA-WZRBSPASSA-N -1 3 363.418 0.064 10 0 FCAEHM CCOCCO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1O ZINC001719104973 1287739952 /nfs/dbraw/zinc/73/99/52/1287739952.db2.gz WPMFJSRRNYEFHI-JGGQBBKZSA-N -1 3 366.414 0.135 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)c2cnc[n-]c2=O)CCN1C(=O)CNC(=O)C(C)(C)C ZINC001702706884 1285802571 /nfs/dbraw/zinc/80/25/71/1285802571.db2.gz NANULLABHWWFHO-PWSUYJOCSA-N -1 3 363.418 0.064 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](CNC(=O)CC(C)(C)O)[C@H](C)C1 ZINC001702791492 1285869813 /nfs/dbraw/zinc/86/98/13/1285869813.db2.gz MHLSKSBHRXDEOA-ZYHUDNBSSA-N -1 3 350.419 0.476 10 0 FCAEHM Cc1ncc(C(=O)NCC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@H]2C)[nH]1 ZINC001702831677 1285924413 /nfs/dbraw/zinc/92/44/13/1285924413.db2.gz LLQKOLRAXNVQLK-ZYHUDNBSSA-N -1 3 358.402 0.742 10 0 FCAEHM Cc1c[nH]nc1C(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2cnc[n-]c2=O)C1 ZINC001702844414 1285937584 /nfs/dbraw/zinc/93/75/84/1285937584.db2.gz NECREUQZFLCNLM-VXGBXAGGSA-N -1 3 358.402 0.742 10 0 FCAEHM C[C@@H](CC(=O)NC[C@H]1C[C@H](O)C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC001594224771 1286228945 /nfs/dbraw/zinc/22/89/45/1286228945.db2.gz XKNUGNUTZFOPCQ-DCAQKATOSA-N -1 3 361.851 0.679 10 0 FCAEHM COc1ccc(NC(=O)C(=O)N[C@@H]2CCN(c3nc(C)cc(=O)[n-]3)C2)cc1 ZINC001595968129 1286275979 /nfs/dbraw/zinc/27/59/79/1286275979.db2.gz DNBOUOXJPHWUNN-CYBMUJFWSA-N -1 3 371.397 0.833 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)c3cc(-c4ccn(C)n4)on3)CC2)n1 ZINC001596360717 1286297997 /nfs/dbraw/zinc/29/79/97/1286297997.db2.gz VDXOUJUJTOVDNG-UHFFFAOYSA-N -1 3 369.385 0.842 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)CNC(=O)c1c(C)nc[n-]c1=O ZINC001704785172 1286298890 /nfs/dbraw/zinc/29/88/90/1286298890.db2.gz AYGIZRDQLXWXHA-RTXFEEFZSA-N -1 3 350.419 0.788 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@@H](CC(C)C)NC(=O)[C@]12C[C@H]1COC2 ZINC001704795572 1286301079 /nfs/dbraw/zinc/30/10/79/1286301079.db2.gz GJVVEKXRHINJSB-JCGVRSQUSA-N -1 3 362.430 0.788 10 0 FCAEHM CC(C)C[C@H](CNC(=O)c1cnc[n-]c1=O)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001704800843 1286303029 /nfs/dbraw/zinc/30/30/29/1286303029.db2.gz SEVIFLJYFHKMHN-YAWIJTDMSA-N -1 3 374.441 0.866 10 0 FCAEHM COC[C@@H](OC)C(=O)Nc1ncc(S(=O)(=O)[N-]C(C)(C)C)s1 ZINC001597072718 1286326242 /nfs/dbraw/zinc/32/62/42/1286326242.db2.gz OAIUVIFBKIVVEU-MRVPVSSYSA-N -1 3 351.450 0.820 10 0 FCAEHM C[C@H](CC(N)=O)C(=O)N[C@H]1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)[C@@H]1C ZINC001707256497 1287107235 /nfs/dbraw/zinc/10/72/35/1287107235.db2.gz XDEXZCWJYYAUNY-GYSYKLTISA-N -1 3 361.446 0.650 10 0 FCAEHM COCCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001719197037 1287857143 /nfs/dbraw/zinc/85/71/43/1287857143.db2.gz SMPBYOIDTIDPMK-KGYLQXTDSA-N -1 3 366.418 0.119 10 0 FCAEHM COCCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001719197038 1287857414 /nfs/dbraw/zinc/85/74/14/1287857414.db2.gz SMPBYOIDTIDPMK-RAIGVLPGSA-N -1 3 366.418 0.119 10 0 FCAEHM COCC(C)(C)CC(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@H](OC)C1 ZINC001719232941 1287913482 /nfs/dbraw/zinc/91/34/82/1287913482.db2.gz JGNQDXMDCAWJMM-CHWSQXEVSA-N -1 3 366.418 0.201 10 0 FCAEHM CC(C)[C@H](F)C(=O)N[C@@H]1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)C[C@@H]1O ZINC001719299412 1288063914 /nfs/dbraw/zinc/06/39/14/1288063914.db2.gz AVGUPUYQMDJDBY-AGIUHOORSA-N -1 3 366.393 0.355 10 0 FCAEHM O=C(NCC(F)F)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1[O-] ZINC001719350489 1288105951 /nfs/dbraw/zinc/10/59/51/1288105951.db2.gz JSGGPKHZSUXNQK-VXGBXAGGSA-N -1 3 369.368 0.931 10 0 FCAEHM O=C(CCn1ccnn1)N[C@@H]1CCCC[C@H]1NC(=O)c1cnc[n-]c1=O ZINC001719360233 1288110175 /nfs/dbraw/zinc/11/01/75/1288110175.db2.gz XFTIDLDGXUDMCR-CHWSQXEVSA-N -1 3 359.390 0.021 10 0 FCAEHM CN(CCCNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)C(=O)c1cnc[n-]c1=O ZINC001720568234 1288241241 /nfs/dbraw/zinc/24/12/41/1288241241.db2.gz GZJWXPYMJISCDW-QWHCGFSZSA-N -1 3 358.402 0.298 10 0 FCAEHM CCN(CCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(=O)c1cnc[n-]c1=O ZINC001720621300 1288244495 /nfs/dbraw/zinc/24/44/95/1288244495.db2.gz XQNMKDAHWMWNBU-MIBAYGRRSA-N -1 3 360.414 0.574 10 0 FCAEHM CC(C)[C@H](CNC(=O)c1cccc2n[n-]nc21)NC(=O)[C@]12C[C@H]1COC2 ZINC001721670860 1288364775 /nfs/dbraw/zinc/36/47/75/1288364775.db2.gz UUUIKTMMAPCBEH-MIUNTBIASA-N -1 3 357.414 0.865 10 0 FCAEHM CC(C)[C@H](CNC(=O)c1cnc[n-]c1=O)NC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001721674531 1288366647 /nfs/dbraw/zinc/36/66/47/1288366647.db2.gz VJFHBSZRGXTNDF-SNPRPXQTSA-N -1 3 362.430 0.868 10 0 FCAEHM CCCC[C@@H](CNCc1nc(=O)n(C)[n-]1)NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001734094510 1288643219 /nfs/dbraw/zinc/64/32/19/1288643219.db2.gz GHDFRTQTRXMMDQ-RZLSGREXSA-N -1 3 365.478 0.688 10 0 FCAEHM CCCC[C@H](CNCc1nc(=O)n(C)[n-]1)NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001734094507 1288643424 /nfs/dbraw/zinc/64/34/24/1288643424.db2.gz GHDFRTQTRXMMDQ-KNCOVGOOSA-N -1 3 365.478 0.688 10 0 FCAEHM COC(=O)[C@H]1CN(C(=O)c2cc(NC(C)=O)ccc2[O-])C[C@H]1C(=O)OC ZINC001607288705 1288694811 /nfs/dbraw/zinc/69/48/11/1288694811.db2.gz KZGYYMQWWQTEIJ-BETUJISGSA-N -1 3 364.354 0.385 10 0 FCAEHM COCCN(CCNC(=O)[C@@H]1C[C@H]1C1CC1)C(=O)c1c(C)nc[n-]c1=O ZINC001735469425 1288749616 /nfs/dbraw/zinc/74/96/16/1288749616.db2.gz DIGJEFZNCFVKTN-UONOGXRCSA-N -1 3 362.430 0.742 10 0 FCAEHM COCCC(C)(C)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001735850920 1288949419 /nfs/dbraw/zinc/94/94/19/1288949419.db2.gz MIKUDQZNAYEJAM-DGCLKSJQSA-N -1 3 350.419 0.822 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NCc1cc(=O)[n-]c(CNC(=O)Cn2cccn2)n1 ZINC001736171609 1289187810 /nfs/dbraw/zinc/18/78/10/1289187810.db2.gz GGWWSRUNLJZWBX-DGCLKSJQSA-N -1 3 358.402 0.357 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)c2ccc(F)c(S(C)(=O)=O)c2)[n-]1 ZINC001611154444 1289632294 /nfs/dbraw/zinc/63/22/94/1289632294.db2.gz LTCQXZJRRYFPKP-UHFFFAOYSA-N -1 3 370.362 0.454 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)c2ccc3c(c2)[nH]c(=O)n3CC)[n-]1 ZINC001611154028 1289632369 /nfs/dbraw/zinc/63/23/69/1289632369.db2.gz AOACROWNKGYRTJ-UHFFFAOYSA-N -1 3 358.358 0.987 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@H](C)CN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001701646011 1289675626 /nfs/dbraw/zinc/67/56/26/1289675626.db2.gz POGRAJFUNYOELO-KEFKHEOASA-N -1 3 360.414 0.491 10 0 FCAEHM O=C(NCCN=c1ncnc2[nH][n-]cc1-2)c1ccc(Br)cn1 ZINC001612600475 1289692819 /nfs/dbraw/zinc/69/28/19/1289692819.db2.gz IBXHXCTVSRODGV-UHFFFAOYSA-N -1 3 362.191 0.726 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(CN2CCN(C)CC2)s1 ZINC001615962682 1289766301 /nfs/dbraw/zinc/76/63/01/1289766301.db2.gz HGTYIQKLFGHKNM-AWEZNQCLSA-N -1 3 363.487 0.737 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC001615926117 1289766536 /nfs/dbraw/zinc/76/65/36/1289766536.db2.gz ULILUKKSPAATOV-LSDHHAIUSA-N -1 3 357.414 0.562 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H]1CCO[C@@H]1CNC(=O)OC(C)(C)C ZINC001615963181 1289766645 /nfs/dbraw/zinc/76/66/45/1289766645.db2.gz OYUHPIFMYBPFLJ-JHJVBQTASA-N -1 3 368.434 0.544 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H]1CCO[C@H]1CNC(=O)OC(C)(C)C ZINC001615963182 1289766745 /nfs/dbraw/zinc/76/67/45/1289766745.db2.gz OYUHPIFMYBPFLJ-UPJWGTAASA-N -1 3 368.434 0.544 10 0 FCAEHM CC1=C(C)C(=O)N(CCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC001616057316 1289769254 /nfs/dbraw/zinc/76/92/54/1289769254.db2.gz YQFHNXAXRJSKAZ-UHFFFAOYSA-N -1 3 354.370 0.578 10 0 FCAEHM CC1=C(C)C(=O)N(CCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001616057316 1289769260 /nfs/dbraw/zinc/76/92/60/1289769260.db2.gz YQFHNXAXRJSKAZ-UHFFFAOYSA-N -1 3 354.370 0.578 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)N(C)C[C@H](O)CNC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC001739064290 1289789134 /nfs/dbraw/zinc/78/91/34/1289789134.db2.gz OYHRPUUHBGXGEW-UMVBOHGHSA-N -1 3 364.446 0.323 10 0 FCAEHM COC[C@H](CN1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1)OC ZINC001617345927 1289834579 /nfs/dbraw/zinc/83/45/79/1289834579.db2.gz VTBFUMFXYAVPRB-NSHDSACASA-N -1 3 363.402 0.099 10 0 FCAEHM C[C@@H](CC(N)=O)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC001702251941 1289913815 /nfs/dbraw/zinc/91/38/15/1289913815.db2.gz DYXJIKHXXLCFQQ-OPQQBVKSSA-N -1 3 358.402 0.046 10 0 FCAEHM Cn1ncc(I)c1CN1CC[C@H](c2nnn[n-]2)C1 ZINC001620535830 1289996889 /nfs/dbraw/zinc/99/68/89/1289996889.db2.gz BSNZYHRBQVVANY-ZETCQYMHSA-N -1 3 359.175 0.527 10 0 FCAEHM Cn1ncc(I)c1CN1CC[C@H](c2nn[n-]n2)C1 ZINC001620535830 1289996896 /nfs/dbraw/zinc/99/68/96/1289996896.db2.gz BSNZYHRBQVVANY-ZETCQYMHSA-N -1 3 359.175 0.527 10 0 FCAEHM CCO[C@@H](CC(=O)N1C[C@@H](NC(=O)c2cn[n-]n2)[C@@H](O)C1)C1=CCCC1 ZINC001702369002 1290147976 /nfs/dbraw/zinc/14/79/76/1290147976.db2.gz NWMDLBDIPHXSAF-ILXRZTDVSA-N -1 3 363.418 0.012 10 0 FCAEHM C[C@@H](Oc1ccccn1)C(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@@H]1O ZINC001702372666 1290154924 /nfs/dbraw/zinc/15/49/24/1290154924.db2.gz GDSPFOVDUPCPMO-XPKDYRNWSA-N -1 3 371.393 0.556 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)CC(C)C)C[C@@H]1O ZINC001702380710 1290169712 /nfs/dbraw/zinc/16/97/12/1290169712.db2.gz FWYRDSOSONYECU-UHTWSYAYSA-N -1 3 350.419 0.474 10 0 FCAEHM NC(=O)c1cc(C[N-]C(=O)C(F)(F)n2cc(-c3ccccc3)nn2)on1 ZINC001622793577 1290186003 /nfs/dbraw/zinc/18/60/03/1290186003.db2.gz CJYKOLLHVWMRRR-UHFFFAOYSA-N -1 3 362.296 0.898 10 0 FCAEHM CO[C@@H]1CN(C(=O)C[C@H](C)SC)C[C@H]1NC(=O)c1c(C)nc[n-]c1=O ZINC001739587461 1290203122 /nfs/dbraw/zinc/20/31/22/1290203122.db2.gz IIYXWWXLXJNIES-MVWJERBFSA-N -1 3 368.459 0.588 10 0 FCAEHM CO[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1NC(=O)C1(CF)CCC1 ZINC001739594581 1290213589 /nfs/dbraw/zinc/21/35/89/1290213589.db2.gz RPTROUXYOSBLFV-VXGBXAGGSA-N -1 3 366.393 0.586 10 0 FCAEHM COC(=O)[C@@H]1O[C@@H](C(=O)Nc2ccccc2[N-]S(C)(=O)=O)C[C@H]1C ZINC001624031257 1290246179 /nfs/dbraw/zinc/24/61/79/1290246179.db2.gz LWIOSLHQWZHRRA-OASPWFOLSA-N -1 3 356.400 0.963 10 0 FCAEHM CC(C)(CC(F)F)C(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1 ZINC001739645306 1290289364 /nfs/dbraw/zinc/28/93/64/1290289364.db2.gz PTRPCAXSQUNGKZ-ZJUUUORDSA-N -1 3 358.345 0.165 10 0 FCAEHM CCN1CCN(C(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])CC1=O ZINC001624867707 1290302616 /nfs/dbraw/zinc/30/26/16/1290302616.db2.gz BHAPRTGPQLHRGJ-UHFFFAOYSA-N -1 3 360.345 0.178 10 0 FCAEHM CCN1CCN(C(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)CC1=O ZINC001624867707 1290302626 /nfs/dbraw/zinc/30/26/26/1290302626.db2.gz BHAPRTGPQLHRGJ-UHFFFAOYSA-N -1 3 360.345 0.178 10 0 FCAEHM C[C@@H]1CCN(C(=O)CCCC(N)=O)[C@H](CNC(=O)c2cnc[n-]c2=O)C1 ZINC001739965348 1290454640 /nfs/dbraw/zinc/45/46/40/1290454640.db2.gz YGOGWXVDGKZBNF-NEPJUHHUSA-N -1 3 363.418 0.195 10 0 FCAEHM CCOCC(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@H]2OCC[C@H]2CC)n1 ZINC001739982750 1290458169 /nfs/dbraw/zinc/45/81/69/1290458169.db2.gz KIMYMWQXJJIWNF-BZNIZROVSA-N -1 3 366.418 0.266 10 0 FCAEHM CC[C@@H](F)C(=O)NCc1nc(CNC(=O)[C@@H]2CCO[C@H]2CC)cc(=O)[n-]1 ZINC001739983495 1290458309 /nfs/dbraw/zinc/45/83/09/1290458309.db2.gz SHKULCMWXNGCEC-UPJWGTAASA-N -1 3 368.409 0.978 10 0 FCAEHM COCC(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)n1 ZINC001739981996 1290458481 /nfs/dbraw/zinc/45/84/81/1290458481.db2.gz CZNLFHXJSLNGQD-FPMFFAJLSA-N -1 3 362.430 0.887 10 0 FCAEHM O=C([C@@H]1Nc2ccccc2S(=O)(=O)N1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001628247589 1290518822 /nfs/dbraw/zinc/51/88/22/1290518822.db2.gz ZMDGIJMHISAXJZ-LKFCYVNXSA-N -1 3 363.399 0.161 10 0 FCAEHM O=C(CCn1cnc2ccccc2c1=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001628254967 1290520176 /nfs/dbraw/zinc/52/01/76/1290520176.db2.gz KEIWWWSSYOZUPT-UHFFFAOYSA-N -1 3 357.395 0.887 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C(=Cc1ccccc1)n1nnnc1C ZINC001628270161 1290521545 /nfs/dbraw/zinc/52/15/45/1290521545.db2.gz OBIXLMVZNALWKJ-MFYHJKBNSA-N -1 3 353.386 0.608 10 0 FCAEHM NC(=O)c1cn(CC(=O)NCc2cc(=O)[n-]c(=S)[nH]2)c2ccccc12 ZINC001628259284 1290522057 /nfs/dbraw/zinc/52/20/57/1290522057.db2.gz VEJRKYJLJRKQMK-UHFFFAOYSA-N -1 3 357.395 0.841 10 0 FCAEHM CCOC(=O)c1nc([C@H](C)NC(=O)C=C(C)CN2CCOCC2)n[n-]1 ZINC001629029366 1290571477 /nfs/dbraw/zinc/57/14/77/1290571477.db2.gz KHBCIAAKHHCZHQ-ZKQHCESOSA-N -1 3 351.407 0.437 10 0 FCAEHM CCOC(=O)c1nnc([C@H](C)NC(=O)C=C(C)CN2CCOCC2)[n-]1 ZINC001629029366 1290571484 /nfs/dbraw/zinc/57/14/84/1290571484.db2.gz KHBCIAAKHHCZHQ-ZKQHCESOSA-N -1 3 351.407 0.437 10 0 FCAEHM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)/C=C(\C)CN2CCOCC2)n1 ZINC001629029366 1290571490 /nfs/dbraw/zinc/57/14/90/1290571490.db2.gz KHBCIAAKHHCZHQ-ZKQHCESOSA-N -1 3 351.407 0.437 10 0 FCAEHM CO[C@@H](C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)C(=O)OC(C)(C)C ZINC001629057187 1290573973 /nfs/dbraw/zinc/57/39/73/1290573973.db2.gz JWDZFJCVUZBEGP-ZDUSSCGKSA-N -1 3 365.386 0.878 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCO[C@H](CNC(=O)NC)C2)c1 ZINC001629588271 1290612314 /nfs/dbraw/zinc/61/23/14/1290612314.db2.gz YHRPPDSVKICRNK-GFCCVEGCSA-N -1 3 362.386 0.287 10 0 FCAEHM Cc1cc(C(=O)N2C[C@@H](C)N(CCO)C[C@@H]2C)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC001630284771 1290657144 /nfs/dbraw/zinc/65/71/44/1290657144.db2.gz VGVSJLOIPACZFM-MNOVXSKESA-N -1 3 361.402 0.272 10 0 FCAEHM O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NCCCc1c[n-][nH]c1=O ZINC001630631422 1290682520 /nfs/dbraw/zinc/68/25/20/1290682520.db2.gz HYISRXDEBOLPII-LLVKDONJSA-N -1 3 357.370 0.120 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)C1CCN(C(=O)c2cccnc2)CC1 ZINC001630631887 1290682620 /nfs/dbraw/zinc/68/26/20/1290682620.db2.gz NUWQCPAAULWXFT-AWEZNQCLSA-N -1 3 357.414 0.562 10 0 FCAEHM CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)NCCCc2c[n-][nH]c2=O)=NO1 ZINC001630632736 1290684939 /nfs/dbraw/zinc/68/49/39/1290684939.db2.gz XFMSPVDMRXOGRR-WDEREUQCSA-N -1 3 367.406 0.284 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCCn1cnccc1=O ZINC001630765764 1290698892 /nfs/dbraw/zinc/69/88/92/1290698892.db2.gz LVHHYAFSUOVZAJ-UHFFFAOYSA-N -1 3 354.370 0.538 10 0 FCAEHM CCCN(C)CC(=O)NC[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1C ZINC001757623221 1290794866 /nfs/dbraw/zinc/79/48/66/1290794866.db2.gz OTAKYRZMSDQLDK-DGCLKSJQSA-N -1 3 351.451 0.590 10 0 FCAEHM C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)N1CCC(Cc2nnn[n-]2)CC1 ZINC001643900338 1290924192 /nfs/dbraw/zinc/92/41/92/1290924192.db2.gz YJIXEFMUTNJIHR-NHYWBVRUSA-N -1 3 364.450 0.037 10 0 FCAEHM C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)N1CCC(Cc2nn[n-]n2)CC1 ZINC001643900338 1290924200 /nfs/dbraw/zinc/92/42/00/1290924200.db2.gz YJIXEFMUTNJIHR-NHYWBVRUSA-N -1 3 364.450 0.037 10 0 FCAEHM COc1cc(CC(=O)N2CCC(Cc3nnn[n-]3)CC2)cc(OC)c1O ZINC001643899763 1290924395 /nfs/dbraw/zinc/92/43/95/1290924395.db2.gz CUWPKYTVRQWLTH-UHFFFAOYSA-N -1 3 361.402 0.946 10 0 FCAEHM COc1cc(CC(=O)N2CCC(Cc3nn[n-]n3)CC2)cc(OC)c1O ZINC001643899763 1290924403 /nfs/dbraw/zinc/92/44/03/1290924403.db2.gz CUWPKYTVRQWLTH-UHFFFAOYSA-N -1 3 361.402 0.946 10 0 FCAEHM CS(=O)(=O)c1ccc(C(=O)N2CCC(Cc3nnn[n-]3)CC2)cn1 ZINC001643899990 1290924469 /nfs/dbraw/zinc/92/44/69/1290924469.db2.gz LBCPGLGNXVRHOK-UHFFFAOYSA-N -1 3 350.404 0.093 10 0 FCAEHM CS(=O)(=O)c1ccc(C(=O)N2CCC(Cc3nn[n-]n3)CC2)cn1 ZINC001643899990 1290924476 /nfs/dbraw/zinc/92/44/76/1290924476.db2.gz LBCPGLGNXVRHOK-UHFFFAOYSA-N -1 3 350.404 0.093 10 0 FCAEHM CN(CC(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1)[C@@H]1CCC[C@H]1O ZINC001644033624 1290936743 /nfs/dbraw/zinc/93/67/43/1290936743.db2.gz FFRNPKGGRIIULQ-GYSYKLTISA-N -1 3 351.369 0.501 10 0 FCAEHM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)[C@H]1CCCN1Cc1ccccn1 ZINC001644156173 1290944080 /nfs/dbraw/zinc/94/40/80/1290944080.db2.gz FWGVQABNQYUYLS-MRXNPFEDSA-N -1 3 369.425 0.931 10 0 FCAEHM CS(=O)(=O)NCC[C@@H]1CCCCN1Cc1nc2c(c(=O)[n-]1)COCC2 ZINC001644356062 1290957723 /nfs/dbraw/zinc/95/77/23/1290957723.db2.gz BPNCYVYJXGCILI-LBPRGKRZSA-N -1 3 370.475 0.549 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)c3cn(C[C@@H]4CCOC4)nn3)CC2)n1 ZINC001644865070 1290989647 /nfs/dbraw/zinc/98/96/47/1290989647.db2.gz GOUVOEDRNOKHDD-ZDUSSCGKSA-N -1 3 373.417 0.081 10 0 FCAEHM COC(=O)c1cc(C(=O)N2CCN(c3nc(C)cc(=O)[n-]3)CC2)ccn1 ZINC001644863459 1290990400 /nfs/dbraw/zinc/99/04/00/1290990400.db2.gz MKZJFMPHSMOLMQ-UHFFFAOYSA-N -1 3 357.370 0.635 10 0 FCAEHM O=C(C=CC(=O)Nc1ccc2n[nH]cc2c1)NCCCc1c[n-][nH]c1=O ZINC001647858818 1291078736 /nfs/dbraw/zinc/07/87/36/1291078736.db2.gz KVXHULVZRLWXRX-QRGHLMKCSA-N -1 3 354.370 0.686 10 0 FCAEHM O=C(CNC(=O)N1CCc2ccccc2C1)NCCCc1c[n-][nH]c1=O ZINC001647858606 1291079040 /nfs/dbraw/zinc/07/90/40/1291079040.db2.gz JGFAPLZLJVOINZ-AWEZNQCLSA-N -1 3 357.414 0.383 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](CO)Cc2cncs2)c([O-])c1 ZINC001648075386 1291100240 /nfs/dbraw/zinc/10/02/40/1291100240.db2.gz MIFNMIFMVCJDGL-GFCCVEGCSA-N -1 3 363.439 0.997 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NC[C@@H]1CCC(C)(C)CO1 ZINC001651201778 1291205968 /nfs/dbraw/zinc/20/59/68/1291205968.db2.gz XUMQNEGVBJHKJE-LBPRGKRZSA-N -1 3 359.448 0.891 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)c3ccc4c(c3)C(=O)NC4=O)CC2)n1 ZINC001651232207 1291207479 /nfs/dbraw/zinc/20/74/79/1291207479.db2.gz MFMYQHPONMRSMB-UHFFFAOYSA-N -1 3 367.365 0.337 10 0 FCAEHM Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001651735059 1291236060 /nfs/dbraw/zinc/23/60/60/1291236060.db2.gz HVIHOXNTPFJCBG-GOSISDBHSA-N -1 3 358.398 0.597 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)[C@H](C)N3C(=O)CCC3=O)CC2)n1 ZINC001652481731 1291281060 /nfs/dbraw/zinc/28/10/60/1291281060.db2.gz APMHOXNIHNAUGF-NSHDSACASA-N -1 3 361.402 0.113 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)[C@@]1(C2CCCC2)CCNC1=O ZINC001653312474 1291334740 /nfs/dbraw/zinc/33/47/40/1291334740.db2.gz IYRDYKQLVIBSIG-SCLBCKFNSA-N -1 3 359.430 0.574 10 0 FCAEHM COC(=O)CCN1CCC[C@@H](N2Cc3nc(C4CC4)[n-]c(=O)c3C2)C1=O ZINC001654688677 1291427855 /nfs/dbraw/zinc/42/78/55/1291427855.db2.gz CMBFRLINAVJISN-CQSZACIVSA-N -1 3 360.414 0.929 10 0 FCAEHM O=C(N[C@@H]1CCS(=O)(=O)C2(CCC2)C1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001654832520 1291438408 /nfs/dbraw/zinc/43/84/08/1291438408.db2.gz UVVSFXJZNCKWIV-LLVKDONJSA-N -1 3 362.407 0.800 10 0 FCAEHM COc1ccc(C(=O)[N-]C(=O)CN2CCC(O)(c3ncnn3C)CC2)cc1 ZINC001655488964 1291469668 /nfs/dbraw/zinc/46/96/68/1291469668.db2.gz UVWOVQVDGUDLRG-UHFFFAOYSA-N -1 3 373.413 0.064 10 0 FCAEHM C[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2)[C@@H]1CCCNCc1n[nH]c(=O)[n-]1 ZINC001656631249 1291552621 /nfs/dbraw/zinc/55/26/21/1291552621.db2.gz ZAKLEARBVRHALT-FRRDWIJNSA-N -1 3 364.450 0.286 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@H]1CCN(CCS(C)(=O)=O)[C@@H]1C ZINC001656971263 1291584289 /nfs/dbraw/zinc/58/42/89/1291584289.db2.gz YNWQVXFVOOVCJD-OCCSQVGLSA-N -1 3 370.475 0.047 10 0 FCAEHM O=C(NC[C@@H](O)c1cccc(F)c1)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001676589566 1292210982 /nfs/dbraw/zinc/21/09/82/1292210982.db2.gz ZZZUYQQKYSCTRG-UONOGXRCSA-N -1 3 361.377 0.933 10 0 FCAEHM CO[C@@H](C)CCC(=O)N1CC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@@H]2C1 ZINC001685083268 1292422000 /nfs/dbraw/zinc/42/20/00/1292422000.db2.gz YWLGYTOTNGQCRQ-MJBXVCDLSA-N -1 3 362.430 0.918 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1CC[C@H](NC(=O)COCC(F)F)[C@H]1C ZINC001685317924 1292497166 /nfs/dbraw/zinc/49/71/66/1292497166.db2.gz ORVNLXHCDZCSRH-ZJUUUORDSA-N -1 3 358.345 0.492 10 0 FCAEHM CN(Cc1nnc2ccccn21)C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001685573652 1292562512 /nfs/dbraw/zinc/56/25/12/1292562512.db2.gz HSTFIJGDBQLXOX-GFCCVEGCSA-N -1 3 368.401 0.645 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N[C@H]1COc2ccccc2[C@@H]1O ZINC001685574799 1292562533 /nfs/dbraw/zinc/56/25/33/1292562533.db2.gz PUFQBRIYKILFNX-ZUCKAHLUSA-N -1 3 371.397 0.555 10 0 FCAEHM O=C(N[C@@H](CO)Cc1ccccc1)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001685644668 1292581090 /nfs/dbraw/zinc/58/10/90/1292581090.db2.gz GFMLUZVNIKEFRA-HUUCEWRRSA-N -1 3 357.414 0.664 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)N1Cc2ccccc2NC(=O)C1 ZINC001685650153 1292582918 /nfs/dbraw/zinc/58/29/18/1292582918.db2.gz YVKBYIVLTSQOJO-ZDUSSCGKSA-N -1 3 368.397 0.925 10 0 FCAEHM COCC1(C(=O)NC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@H]2C)CCC1 ZINC001685721421 1292610037 /nfs/dbraw/zinc/61/00/37/1292610037.db2.gz AQINEXBODDSFSK-CHWSQXEVSA-N -1 3 362.430 0.823 10 0 FCAEHM CC(C)OCC(=O)NCC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001685825437 1292647124 /nfs/dbraw/zinc/64/71/24/1292647124.db2.gz UMTWEXOTUXLCPD-CHWSQXEVSA-N -1 3 350.419 0.822 10 0 FCAEHM CCn1cc(CNC(=O)NCc2nc(C(F)(F)F)n[n-]2)c(=O)[nH]c1=O ZINC001686215949 1292832252 /nfs/dbraw/zinc/83/22/52/1292832252.db2.gz VMLOZBDRDUJUGR-UHFFFAOYSA-N -1 3 361.284 0.105 10 0 FCAEHM CN1CCC2(CCN(C(=O)N[C@@H]3CCN(c4cc(=O)[n-]cn4)C3)CC2)C1=O ZINC001687789816 1293013320 /nfs/dbraw/zinc/01/33/20/1293013320.db2.gz MLPSIOIKWHYBSM-CYBMUJFWSA-N -1 3 374.445 0.415 10 0 FCAEHM CCOC(OCC)[C@@H](C)NC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001687789991 1293014551 /nfs/dbraw/zinc/01/45/51/1293014551.db2.gz RCABDWCHZTWOLC-NEPJUHHUSA-N -1 3 353.423 0.848 10 0 FCAEHM CCOc1nnc(NC(=O)c2cnn(C)c2I)[n-]1 ZINC000393695553 836062719 /nfs/dbraw/zinc/06/27/19/836062719.db2.gz PIOLOPPICGGCRF-UHFFFAOYSA-N -1 3 362.131 0.794 10 0 FCAEHM CCOc1nc(NC(=O)c2cnn(C)c2I)n[n-]1 ZINC000393695553 836062730 /nfs/dbraw/zinc/06/27/30/836062730.db2.gz PIOLOPPICGGCRF-UHFFFAOYSA-N -1 3 362.131 0.794 10 0 FCAEHM CCOc1n[n-]c(NC(=O)c2cnn(C)c2I)n1 ZINC000393695553 836062745 /nfs/dbraw/zinc/06/27/45/836062745.db2.gz PIOLOPPICGGCRF-UHFFFAOYSA-N -1 3 362.131 0.794 10 0 FCAEHM CC(C)OC1CN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)C1 ZINC000821927816 836508555 /nfs/dbraw/zinc/50/85/55/836508555.db2.gz DJIQZGXLGFDVHV-UHFFFAOYSA-N -1 3 366.436 0.995 10 0 FCAEHM CO[C@H](Cc1ccccc1)CS(=O)(=O)NC1CCN(CC(=O)[O-])CC1 ZINC001118920756 847635653 /nfs/dbraw/zinc/63/56/53/847635653.db2.gz VJBWXYGHDODXIJ-MRXNPFEDSA-N -1 3 370.471 0.713 10 0 FCAEHM CCOC1(CS(=O)(=O)N2CCc3c(nc[n-]c3=O)C2)CCOCC1 ZINC001118986626 847663264 /nfs/dbraw/zinc/66/32/64/847663264.db2.gz LBMDJFOZVSQACR-UHFFFAOYSA-N -1 3 357.432 0.456 10 0 FCAEHM O=c1[n-]c(CNC[C@H](O)COCc2cccs2)nc2c1COCC2 ZINC001119002946 847669141 /nfs/dbraw/zinc/66/91/41/847669141.db2.gz FBVHQAKIJKRBRF-NSHDSACASA-N -1 3 351.428 0.984 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCN(CCCF)CC1 ZINC001119563030 847887988 /nfs/dbraw/zinc/88/79/88/847887988.db2.gz BBAMZBOVBZPCDK-UHFFFAOYSA-N -1 3 362.427 0.074 10 0 FCAEHM O=C(CCCc1ccc([O-])c(F)c1)N1CCN2CCOC[C@]2(CO)C1 ZINC001123968883 848661366 /nfs/dbraw/zinc/66/13/66/848661366.db2.gz OIFCKOJTVHSNQY-GOSISDBHSA-N -1 3 352.406 0.760 10 0 FCAEHM CNC(=O)Cn1cnc([N-]C(=O)c2cc(Br)cnc2F)n1 ZINC001126088148 848703901 /nfs/dbraw/zinc/70/39/01/848703901.db2.gz LSPIVSKRXYYRHX-UHFFFAOYSA-N -1 3 357.143 0.573 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1F ZINC001136653653 849233170 /nfs/dbraw/zinc/23/31/70/849233170.db2.gz CGBZRAHWJUCRHH-LLVKDONJSA-N -1 3 370.406 0.318 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(Br)c(C=O)n1C ZINC001144232722 849513851 /nfs/dbraw/zinc/51/38/51/849513851.db2.gz HCNXHKPKOKYDKI-QMMMGPOBSA-N -1 3 355.192 0.842 10 0 FCAEHM CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)C1 ZINC001144502714 849524143 /nfs/dbraw/zinc/52/41/43/849524143.db2.gz OIEVBLBSAVQBIU-JOYOIKCWSA-N -1 3 350.375 0.918 10 0 FCAEHM Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001144502268 849524423 /nfs/dbraw/zinc/52/44/23/849524423.db2.gz IBRVSGVYVNPUFT-SECBINFHSA-N -1 3 368.390 0.840 10 0 FCAEHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC001144519319 849524625 /nfs/dbraw/zinc/52/46/25/849524625.db2.gz KSEVAZQDULNBJR-RQJHMYQMSA-N -1 3 350.322 0.544 10 0 FCAEHM O=C(CCSc1ncnc2[nH]cnc21)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001144527745 849525211 /nfs/dbraw/zinc/52/52/11/849525211.db2.gz KLYVBGCPNYECOW-UHFFFAOYSA-N -1 3 363.428 0.936 10 0 FCAEHM CS(=O)(=O)c1ccc(N)c(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)c1 ZINC001164329451 850407663 /nfs/dbraw/zinc/40/76/63/850407663.db2.gz GHWGYANUVXPJHN-SECBINFHSA-N -1 3 350.400 0.731 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCNC(=O)CC23CCC3)c(C)o1 ZINC001177156928 850828311 /nfs/dbraw/zinc/82/83/11/850828311.db2.gz AJAUDAVUQBZIHC-UHFFFAOYSA-N -1 3 355.416 0.381 10 0 FCAEHM CC(C)[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001180222848 851018701 /nfs/dbraw/zinc/01/87/01/851018701.db2.gz YIMNWCCHRFQBAA-OBJOEFQTSA-N -1 3 370.475 0.898 10 0 FCAEHM O=C(CC[C@H]1CC[C@@H](C2OCCO2)O1)Nc1n[n-]c(SCCO)n1 ZINC001182930756 851209772 /nfs/dbraw/zinc/20/97/72/851209772.db2.gz GEBRKMTZUWAOQR-ZJUUUORDSA-N -1 3 358.420 0.528 10 0 FCAEHM COCCO[C@@H]1C[C@@H](CO)CN(C(=O)Cc2c(C)nc(C)[n-]c2=O)C1 ZINC001183334294 851243360 /nfs/dbraw/zinc/24/33/60/851243360.db2.gz VYECROZJETUQDN-ZIAGYGMSSA-N -1 3 353.419 0.214 10 0 FCAEHM CC1(C)C[C@@H](NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)CCS1(=O)=O ZINC001184382318 851303141 /nfs/dbraw/zinc/30/31/41/851303141.db2.gz GKWAZZOYLLREPF-JTQLQIEISA-N -1 3 350.396 0.656 10 0 FCAEHM C[C@H](CC(=O)N1C[C@@H](O)C2(CC2)C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC001255296505 858007394 /nfs/dbraw/zinc/00/73/94/858007394.db2.gz NCQNFPADTCOHTG-ZYHUDNBSSA-N -1 3 373.862 0.775 10 0 FCAEHM COC(=O)[C@@H]1CC[C@H](C(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)O1 ZINC001261810501 858672677 /nfs/dbraw/zinc/67/26/77/858672677.db2.gz DHNJRAXKVDCLFM-OLZOCXBDSA-N -1 3 374.390 0.534 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c(C)o1 ZINC001261833248 858680735 /nfs/dbraw/zinc/68/07/35/858680735.db2.gz QYPXOJKIQLINQL-NFULHVNHSA-N -1 3 360.457 0.622 10 0 FCAEHM COC(=O)c1ccccc1CS(=O)(=O)NC1CCN(CC(=O)[O-])CC1 ZINC001261844803 858684293 /nfs/dbraw/zinc/68/42/93/858684293.db2.gz BURPZFUNEUYISY-UHFFFAOYSA-N -1 3 370.427 0.442 10 0 FCAEHM O=C(N[C@H](CO)CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)c1cn[n-]n1 ZINC001281110209 863484590 /nfs/dbraw/zinc/48/45/90/863484590.db2.gz JHJVGABKSWCEFZ-DJLDLDEBSA-N -1 3 369.834 0.530 10 0 FCAEHM CC[C@H](CC(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@@H]1O)C(C)C ZINC001281914672 863943362 /nfs/dbraw/zinc/94/33/62/863943362.db2.gz LVSGVBNVVQEYEP-BNOWGMLFSA-N -1 3 350.419 0.556 10 0 FCAEHM COC[C@@H](C)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001282146630 864082415 /nfs/dbraw/zinc/08/24/15/864082415.db2.gz BLDLCWCEKVLFDX-KGYLQXTDSA-N -1 3 350.419 0.788 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](NC(=O)CCC(C)(F)F)[C@@H](O)C1 ZINC001289669655 865210808 /nfs/dbraw/zinc/21/08/08/865210808.db2.gz BQFBSVHZPDTHCP-ZJUUUORDSA-N -1 3 358.345 0.228 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)NCc1cc(=O)[n-]c(CNC(=O)C(C)C)n1 ZINC001290364651 865398886 /nfs/dbraw/zinc/39/88/86/865398886.db2.gz VZDNAZSXBILUQF-OLZOCXBDSA-N -1 3 350.419 0.886 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NCc1nc(CNC(=O)CC(C)(C)O)cc(=O)[n-]1 ZINC001290364351 865400054 /nfs/dbraw/zinc/40/00/54/865400054.db2.gz MGRUPUNIUPRGBN-ZYHUDNBSSA-N -1 3 350.419 0.622 10 0 FCAEHM O=C(c1cnncc1[O-])N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC001290636518 865471199 /nfs/dbraw/zinc/47/11/99/865471199.db2.gz PURCTYUWAXPXQJ-UHFFFAOYSA-N -1 3 368.440 0.827 10 0 FCAEHM CC[C@H](OC)C(=O)NC[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1C ZINC001290879825 865540528 /nfs/dbraw/zinc/54/05/28/865540528.db2.gz ANLAEMQYPIAGBB-RTXFEEFZSA-N -1 3 350.419 0.740 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001292970553 865765299 /nfs/dbraw/zinc/76/52/99/865765299.db2.gz ZFUIOWWAYVGTJG-IINYFYTJSA-N -1 3 351.428 0.822 10 0 FCAEHM COC[C@H](O)CCNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001296004471 865933281 /nfs/dbraw/zinc/93/32/81/865933281.db2.gz WRAVHIISYMNODM-GFCCVEGCSA-N -1 3 351.334 0.001 10 0 FCAEHM COC[C@H](O)CCNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001296004471 865933297 /nfs/dbraw/zinc/93/32/97/865933297.db2.gz WRAVHIISYMNODM-GFCCVEGCSA-N -1 3 351.334 0.001 10 0 FCAEHM C[C@@H](O)CN1CCN(C(=O)c2nc[n-]c(=O)c2Br)[C@@H](C)C1 ZINC001296815308 865990832 /nfs/dbraw/zinc/99/08/32/865990832.db2.gz VQSYDIHKQFZWKP-DTWKUNHWSA-N -1 3 359.224 0.472 10 0 FCAEHM COCCO[C@H]1C[C@H](CO)CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001297261663 866018156 /nfs/dbraw/zinc/01/81/56/866018156.db2.gz YAVGDMCLBPFSFJ-AAEUAGOBSA-N -1 3 351.403 0.546 10 0 FCAEHM CN1CCn2ncc(C(=O)Nc3[nH][n-]c4cc(=O)ccc3-4)c2S1(=O)=O ZINC001298318184 866108050 /nfs/dbraw/zinc/10/80/50/866108050.db2.gz NBKGQZVPCBKPPG-UHFFFAOYSA-N -1 3 362.371 0.351 10 0 FCAEHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cc(S(N)(=O)=O)cn2C)n1 ZINC001300180312 866213049 /nfs/dbraw/zinc/21/30/49/866213049.db2.gz SYZQEVZDWKQULV-UHFFFAOYSA-N -1 3 353.404 0.142 10 0 FCAEHM O=C(Cc1csc(N2CCOCC2)n1)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001300197732 866214509 /nfs/dbraw/zinc/21/45/09/866214509.db2.gz BMWHEXAOYQWRGA-UHFFFAOYSA-N -1 3 367.456 0.623 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCCCN(C)S(C)(=O)=O)c1 ZINC001300728054 866234325 /nfs/dbraw/zinc/23/43/25/866234325.db2.gz WVIALOUCNBSONG-UHFFFAOYSA-N -1 3 355.416 0.528 10 0 FCAEHM Cn1cc(Br)c(C(=O)N2CCC(Cc3nnn[n-]3)CC2)n1 ZINC001349108253 866236762 /nfs/dbraw/zinc/23/67/62/866236762.db2.gz NHILGHQBEACJSC-UHFFFAOYSA-N -1 3 354.212 0.791 10 0 FCAEHM Cn1cc(Br)c(C(=O)N2CCC(Cc3nn[n-]n3)CC2)n1 ZINC001349108253 866236778 /nfs/dbraw/zinc/23/67/78/866236778.db2.gz NHILGHQBEACJSC-UHFFFAOYSA-N -1 3 354.212 0.791 10 0 FCAEHM Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)NCCCc1c[n-][nH]c1=O ZINC001301570131 866270543 /nfs/dbraw/zinc/27/05/43/866270543.db2.gz AIKVQVHDYMYDIW-SECBINFHSA-N -1 3 356.379 0.023 10 0 FCAEHM COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(C(=O)c2[nH]c(=O)[n-]c(=O)c2N)C1 ZINC001351054178 866767471 /nfs/dbraw/zinc/76/74/71/866767471.db2.gz RZQLQPLWDOGIJT-RITPCOANSA-N -1 3 364.280 0.284 10 0 FCAEHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCS(=O)(=O)CCO3)c[n-]c12 ZINC001353391414 867414805 /nfs/dbraw/zinc/41/48/05/867414805.db2.gz PMHPVERMDQMNIQ-UHFFFAOYSA-N -1 3 354.359 0.778 10 0 FCAEHM CCN(CC)CCCN(CC)C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001353909839 867520480 /nfs/dbraw/zinc/52/04/80/867520480.db2.gz NZBFEZAUYPSINZ-UHFFFAOYSA-N -1 3 362.492 0.846 10 0 FCAEHM CN1C[C@H](NC(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)CCC1=O ZINC001323738639 869333200 /nfs/dbraw/zinc/33/32/00/869333200.db2.gz KCUUGMURXVZYSE-SNVBAGLBSA-N -1 3 372.422 0.617 10 0 FCAEHM CN1c2ccccc2C[C@H]([N-]S(=O)(=O)C2CCS(=O)(=O)CC2)C1=O ZINC001327402272 870842820 /nfs/dbraw/zinc/84/28/20/870842820.db2.gz HDJKJOFTBKIBEJ-ZDUSSCGKSA-N -1 3 372.468 0.071 10 0 FCAEHM C[C@H]1C(=O)N(C)CN1C(=O)C(=O)NCc1ccc([O-])c(Br)c1 ZINC001328316760 871357704 /nfs/dbraw/zinc/35/77/04/871357704.db2.gz LHJFFQLKOLIXIP-QMMMGPOBSA-N -1 3 370.203 0.418 10 0 FCAEHM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCC(C)(N2CCOCC2)CC1 ZINC001329102320 871824440 /nfs/dbraw/zinc/82/44/40/871824440.db2.gz GCGDVCQSIOLKGD-UHFFFAOYSA-N -1 3 352.391 0.223 10 0 FCAEHM COCc1csc(NC(=O)C(=O)NCc2nc(C(F)(F)F)n[n-]2)n1 ZINC001346529731 871886333 /nfs/dbraw/zinc/88/63/33/871886333.db2.gz NFUURADIQVBAJJ-UHFFFAOYSA-N -1 3 364.309 0.681 10 0 FCAEHM O=C(OCCO[C@@H]1CC1(F)F)c1ccc(S(=O)(=O)[N-]CCO)s1 ZINC001330172696 872507643 /nfs/dbraw/zinc/50/76/43/872507643.db2.gz AEQJXWLBTFLEKI-SECBINFHSA-N -1 3 371.383 0.600 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCC2(n3cccn3)CC2)ccc1F ZINC001348525306 872720461 /nfs/dbraw/zinc/72/04/61/872720461.db2.gz YCFRWOYKFMDQOZ-UHFFFAOYSA-N -1 3 352.391 0.849 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](OC)C[C@@]2(C)CO)ccc1F ZINC001348765648 872788190 /nfs/dbraw/zinc/78/81/90/872788190.db2.gz JQQSUSYINNWCBO-ABAIWWIYSA-N -1 3 360.407 0.346 10 0 FCAEHM CNS(=O)(=O)C[C@@H]1CCCN(C(=O)Cc2c(C)nc(C)[n-]c2=O)C1 ZINC001331779791 873243997 /nfs/dbraw/zinc/24/39/97/873243997.db2.gz JOYAPQXOZXNAOI-GFCCVEGCSA-N -1 3 356.448 0.129 10 0 FCAEHM C[C@@H](NC(=O)C(=O)N(C)CCN(C)C1CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001332945138 873727269 /nfs/dbraw/zinc/72/72/69/873727269.db2.gz KDTYWKXLNUGDAX-KWCYVHTRSA-N -1 3 353.463 0.791 10 0 FCAEHM COC(=O)C1CC2(C1)CN([C@H](C)C(=O)N1CCCCC1)C[C@@H]2C(=O)[O-] ZINC001333162685 873829413 /nfs/dbraw/zinc/82/94/13/873829413.db2.gz FTDZBWIQFQZHEA-CZJPOVKDSA-N -1 3 352.431 0.973 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](CF)C(=O)OC)c(F)cc1C ZINC000293168413 214151451 /nfs/dbraw/zinc/15/14/51/214151451.db2.gz RVQNAXILIPDFSQ-SNVBAGLBSA-N -1 3 351.327 0.710 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000294995935 214273670 /nfs/dbraw/zinc/27/36/70/214273670.db2.gz UVIFSAUSMKXJQT-NSHDSACASA-N -1 3 373.818 0.218 10 0 FCAEHM CC[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccccc1F)[C@@H](O)C(F)F ZINC000295370396 214292859 /nfs/dbraw/zinc/29/28/59/214292859.db2.gz DLEOMDRJPMJPOI-BXKDBHETSA-N -1 3 354.350 0.625 10 0 FCAEHM CCOc1ccncc1S(=O)(=O)[N-][C@H]1CCN(c2cnn(C)c2)C1=O ZINC000295675946 214312190 /nfs/dbraw/zinc/31/21/90/214312190.db2.gz ROXMSNPTSVEZKL-LBPRGKRZSA-N -1 3 365.415 0.298 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C2CC2)C2COC2)cc1F ZINC000297086584 214379297 /nfs/dbraw/zinc/37/92/97/214379297.db2.gz NULIPQPIPMPWIK-UHFFFAOYSA-N -1 3 364.420 0.749 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NCC1(CO)CC2(CCC2)C1 ZINC000290956113 214005738 /nfs/dbraw/zinc/00/57/38/214005738.db2.gz VRVUHOZIOPQCES-UHFFFAOYSA-N -1 3 371.459 0.629 10 0 FCAEHM Cc1cc(C[C@@H](C)NC(=O)C[N-]S(=O)(=O)c2c(C)noc2C)[nH]n1 ZINC000290896299 214001886 /nfs/dbraw/zinc/00/18/86/214001886.db2.gz CSTBJEFNGXAKAR-MRVPVSSYSA-N -1 3 355.420 0.349 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCn2cncc2C1 ZINC000290905769 214001586 /nfs/dbraw/zinc/00/15/86/214001586.db2.gz ICOJNRPQUFIGFS-NSHDSACASA-N -1 3 352.391 0.731 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C[C@@H](C)CN1CCOCC1 ZINC000290886909 214000593 /nfs/dbraw/zinc/00/05/93/214000593.db2.gz ZIZQYNULQIKXOO-LLVKDONJSA-N -1 3 374.459 0.930 10 0 FCAEHM CC(C)(C)OC(=O)NC[C@](C)(NC(=O)CN1CC(=O)[N-]C1=O)C1CC1 ZINC000265594013 210174433 /nfs/dbraw/zinc/17/44/33/210174433.db2.gz KMWDGPKPPLZFDE-INIZCTEOSA-N -1 3 354.407 0.348 10 0 FCAEHM NC(=O)c1ccc(NC(=O)CN2CC(=O)[N-]C2=O)cc1N1CCCCC1 ZINC000265590694 210173355 /nfs/dbraw/zinc/17/33/55/210173355.db2.gz JUHLWZWMLDFFAG-UHFFFAOYSA-N -1 3 359.386 0.266 10 0 FCAEHM C[C@@]1(c2ccc(-c3noc([C@@]4(C)CCC(=O)NC4)n3)cc2)NC(=O)[N-]C1=O ZINC000290220569 213940755 /nfs/dbraw/zinc/94/07/55/213940755.db2.gz PRKAIYRNNIMVGU-ROUUACIJSA-N -1 3 369.381 0.959 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC[C@H](O)C1CCOCC1 ZINC000265565036 210167520 /nfs/dbraw/zinc/16/75/20/210167520.db2.gz USIISTSWDOABIL-FZMZJTMJSA-N -1 3 374.434 0.396 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)N[C@@H]2C[C@H]2C)cc1OC ZINC000265521348 210156650 /nfs/dbraw/zinc/15/66/50/210156650.db2.gz CUAUXKNVRBLQNB-BXKDBHETSA-N -1 3 355.416 0.920 10 0 FCAEHM COc1cccc(N2CCC[C@@H](NC(=O)CC[C@H]3NC(=O)[N-]C3=O)C2)c1 ZINC000265284672 210086320 /nfs/dbraw/zinc/08/63/20/210086320.db2.gz KJFUPAVZYBMXLJ-IUODEOHRSA-N -1 3 360.414 0.768 10 0 FCAEHM COc1cccc(N2CCC[C@H](NC(=O)CC[C@H]3NC(=O)[N-]C3=O)C2)c1 ZINC000265284673 210086450 /nfs/dbraw/zinc/08/64/50/210086450.db2.gz KJFUPAVZYBMXLJ-SWLSCSKDSA-N -1 3 360.414 0.768 10 0 FCAEHM CC(C)N1CC[C@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)C1=O ZINC000265237098 210079391 /nfs/dbraw/zinc/07/93/91/210079391.db2.gz ICPPSDRQPGGMEF-AAEUAGOBSA-N -1 3 371.434 0.618 10 0 FCAEHM COc1cccc([C@@H](C)N2CCN(C(=O)CN3CC(=O)[N-]C3=O)CC2)c1 ZINC000264938387 210020831 /nfs/dbraw/zinc/02/08/31/210020831.db2.gz PYRLLEUXBTYKHL-CYBMUJFWSA-N -1 3 360.414 0.452 10 0 FCAEHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)N2CCS(=O)(=O)CC2)CC1 ZINC000333226668 215253518 /nfs/dbraw/zinc/25/35/18/215253518.db2.gz FYZPPJZROIFSFW-UHFFFAOYSA-N -1 3 367.427 0.000 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](CO)C[C@H](O)C(C)(C)C)c(C)o1 ZINC000285680031 213376048 /nfs/dbraw/zinc/37/60/48/213376048.db2.gz BKXNNMYRFNJUEX-PWSUYJOCSA-N -1 3 362.448 0.384 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@@H]3CCN(C)C[C@H]32)c(C)o1 ZINC000285676555 213376592 /nfs/dbraw/zinc/37/65/92/213376592.db2.gz HJVDMXBDYGSWHX-CHWSQXEVSA-N -1 3 357.432 0.041 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCOC[C@H]1c1nc2ccccc2s1 ZINC000367111802 216076682 /nfs/dbraw/zinc/07/66/82/216076682.db2.gz BRCZFEWQIJOIOB-NSHDSACASA-N -1 3 360.395 0.748 10 0 FCAEHM COC(=O)C(C)(C)CS(=O)(=O)[N-][C@@H]1CCCN(c2cccnc2)C1=O ZINC000367442855 216124372 /nfs/dbraw/zinc/12/43/72/216124372.db2.gz LSMNWHAMNUHDNR-CYBMUJFWSA-N -1 3 369.443 0.696 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(S(=O)(=O)CC(C)(C)OC)CC2)n[n-]1 ZINC000367723615 216153386 /nfs/dbraw/zinc/15/33/86/216153386.db2.gz TUUHQHBMXLAYAY-UHFFFAOYSA-N -1 3 374.463 0.916 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(S(=O)(=O)CC(C)(C)OC)CC2)[n-]1 ZINC000367723615 216153389 /nfs/dbraw/zinc/15/33/89/216153389.db2.gz TUUHQHBMXLAYAY-UHFFFAOYSA-N -1 3 374.463 0.916 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CCC[C@H](OCCO)C1 ZINC000368085169 216201197 /nfs/dbraw/zinc/20/11/97/216201197.db2.gz JYKBTAHYLFFURH-GOEBONIOSA-N -1 3 362.426 0.997 10 0 FCAEHM CCN(Cc1cccc(F)c1)C(=O)CN1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000192687438 209302493 /nfs/dbraw/zinc/30/24/93/209302493.db2.gz JBDAPVLPLNGPEZ-GOSISDBHSA-N -1 3 362.405 0.848 10 0 FCAEHM O=C1[N-]C(=O)[C@@]2(CCCN(Cc3cc(=O)n4cc(Cl)ccc4n3)C2)N1 ZINC000192678003 209302253 /nfs/dbraw/zinc/30/22/53/209302253.db2.gz RTABKNDVTHOZMZ-INIZCTEOSA-N -1 3 361.789 0.522 10 0 FCAEHM C[C@H]1CN(S(=O)(=O)[N-]N2C(=O)NC3(CCCCC3)C2=O)C[C@H](C)O1 ZINC000368912871 216317939 /nfs/dbraw/zinc/31/79/39/216317939.db2.gz FEGZCWUMLJUIMS-QWRGUYRKSA-N -1 3 360.436 0.100 10 0 FCAEHM COc1c(C)cc(S(=O)(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1C ZINC000278825738 212489643 /nfs/dbraw/zinc/48/96/43/212489643.db2.gz UIYVUUIIAGDHRJ-MRXNPFEDSA-N -1 3 367.427 0.675 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000277549679 212372922 /nfs/dbraw/zinc/37/29/22/212372922.db2.gz MFQUCGCXNZVDRL-KDOFPFPSSA-N -1 3 363.389 0.567 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NC[C@@H]1CSCCN1Cc1ccccc1 ZINC000277343336 212350862 /nfs/dbraw/zinc/35/08/62/212350862.db2.gz NHYSTULZSMJFEF-KGLIPLIRSA-N -1 3 362.455 0.318 10 0 FCAEHM COC(=O)c1ccc(Cl)cc1NC(=O)C(=O)[N-]N1CCCNC1=O ZINC000277013086 212317792 /nfs/dbraw/zinc/31/77/92/212317792.db2.gz NGNWMBOPLVFLAC-UHFFFAOYSA-N -1 3 354.750 0.512 10 0 FCAEHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C(C)(C)[C@H](O)C(=O)OC ZINC000277012840 212317264 /nfs/dbraw/zinc/31/72/64/212317264.db2.gz IOMLXSAEIMVOAI-LLVKDONJSA-N -1 3 363.363 0.203 10 0 FCAEHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C(C)(C)[C@H](O)C(=O)OC ZINC000276997707 212316187 /nfs/dbraw/zinc/31/61/87/212316187.db2.gz GBQLDVWAQBRDAZ-LLVKDONJSA-N -1 3 363.363 0.203 10 0 FCAEHM C[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F)c1ncnn1C ZINC000276874077 212301333 /nfs/dbraw/zinc/30/13/33/212301333.db2.gz LSEZSHVRMKXBNZ-ZJUUUORDSA-N -1 3 355.395 0.498 10 0 FCAEHM Cc1nc([C@H]2CCCN2C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)cs1 ZINC000188116643 209224493 /nfs/dbraw/zinc/22/44/93/209224493.db2.gz NTAMTNFKBAJFQQ-GFCCVEGCSA-N -1 3 369.472 0.827 10 0 FCAEHM CO[C@H]1CN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)CC[C@H]1C ZINC000187961151 209220856 /nfs/dbraw/zinc/22/08/56/209220856.db2.gz DJIOOIPZSXQPLR-SCZZXKLOSA-N -1 3 360.208 0.183 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CCCCCS(C)(=O)=O ZINC000186061839 209182876 /nfs/dbraw/zinc/18/28/76/209182876.db2.gz BIWQDIOVOKKMFI-UHFFFAOYSA-N -1 3 357.885 0.875 10 0 FCAEHM CCOC(=O)c1c(C)csc1NC(=O)C(=O)[N-]N1CC(=O)N(C)C1=O ZINC000276217903 212188479 /nfs/dbraw/zinc/18/84/79/212188479.db2.gz WTXJUOFCWKGTBI-UHFFFAOYSA-N -1 3 368.371 0.097 10 0 FCAEHM CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000276066438 212151283 /nfs/dbraw/zinc/15/12/83/212151283.db2.gz JJPIXYCHOOUJBC-QWRGUYRKSA-N -1 3 350.462 0.639 10 0 FCAEHM CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[N-]S(=O)(=O)[C@@H]1CCO[C@H]1C ZINC000276063508 212150559 /nfs/dbraw/zinc/15/05/59/212150559.db2.gz QGDICMAOBLKDDL-KNXALSJPSA-N -1 3 365.455 0.922 10 0 FCAEHM COc1cc(NC(=O)C[N-]S(=O)(=O)[C@H]2CCO[C@H]2C)cc(OC)c1 ZINC000275976764 212132448 /nfs/dbraw/zinc/13/24/48/212132448.db2.gz DEUZNLQVVKPEBS-HZMBPMFUSA-N -1 3 358.416 0.739 10 0 FCAEHM C[C@@H]1OCC[C@H]1S(=O)(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000275974647 212131855 /nfs/dbraw/zinc/13/18/55/212131855.db2.gz DBGUIPQWKGWKIO-VHSXEESVSA-N -1 3 354.475 0.123 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(CCO)CCCO ZINC000275891711 212112865 /nfs/dbraw/zinc/11/28/65/212112865.db2.gz JBJOHAHNDFNOQW-UHFFFAOYSA-N -1 3 358.416 0.375 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cn1 ZINC000184714829 209165245 /nfs/dbraw/zinc/16/52/45/209165245.db2.gz UOFDIQHRZFEUJJ-UHFFFAOYSA-N -1 3 360.439 0.952 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)s1 ZINC000374146263 217101242 /nfs/dbraw/zinc/10/12/42/217101242.db2.gz RLDPQRVBKFVVRK-OPRDCNLKSA-N -1 3 358.441 0.822 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)s1 ZINC000374146260 217101639 /nfs/dbraw/zinc/10/16/39/217101639.db2.gz RLDPQRVBKFVVRK-AEJSXWLSSA-N -1 3 358.441 0.822 10 0 FCAEHM Cc1cn2c(n1)CN(C(=O)NCC[N-]S(=O)(=O)c1cccs1)CC2 ZINC000374693473 217158563 /nfs/dbraw/zinc/15/85/63/217158563.db2.gz KZLADUQCPHGMOV-UHFFFAOYSA-N -1 3 369.472 0.757 10 0 FCAEHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCn2c(nnc2-c2cccnc2)C1 ZINC000375886641 217330685 /nfs/dbraw/zinc/33/06/85/217330685.db2.gz YSWYGQLNACONHD-UHFFFAOYSA-N -1 3 374.360 0.880 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)N1CC(F)(F)C[C@@H]1CO ZINC000375979849 217341058 /nfs/dbraw/zinc/34/10/58/217341058.db2.gz HSVLPBONMXBAQZ-SECBINFHSA-N -1 3 369.415 0.438 10 0 FCAEHM CC(C)C[C@@H](CNC(=O)C(=O)N1CCCC12CCN(C)CC2)C(=O)[O-] ZINC000424492794 247237533 /nfs/dbraw/zinc/23/75/33/247237533.db2.gz NDTBLNPXRMVEFG-AWEZNQCLSA-N -1 3 353.463 0.936 10 0 FCAEHM CC(C)C[C@@H](CNC(=O)C(=O)NC[C@]1(N(C)C)CCSC1)C(=O)[O-] ZINC000424517032 247246035 /nfs/dbraw/zinc/24/60/35/247246035.db2.gz KNLPVQBGOCWXIM-BLLLJJGKSA-N -1 3 359.492 0.403 10 0 FCAEHM CC(C)C[C@@H](CNC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1)C(=O)[O-] ZINC000424479697 247233906 /nfs/dbraw/zinc/23/39/06/247233906.db2.gz IDIBDSPAWQFPTA-GJZGRUSLSA-N -1 3 353.463 0.936 10 0 FCAEHM COC(=O)[C@](C)(O)CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436674707 248045587 /nfs/dbraw/zinc/04/55/87/248045587.db2.gz ISTSLSDZVBTXKD-SJKOYZFVSA-N -1 3 350.371 0.037 10 0 FCAEHM C[C@H]1COCCN1CCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436676365 248045912 /nfs/dbraw/zinc/04/59/12/248045912.db2.gz OSSQWCZDXPHRQY-HOCLYGCPSA-N -1 3 361.442 0.834 10 0 FCAEHM C[C@]1(c2ccc(CNc3cncc(OCCO)n3)cc2)NC(=O)[N-]C1=O ZINC000436299727 248037151 /nfs/dbraw/zinc/03/71/51/248037151.db2.gz HAMZFTDBRDNFLY-QGZVFWFLSA-N -1 3 357.370 0.514 10 0 FCAEHM Cn1cc(C(N)=O)cc1C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436868865 248053783 /nfs/dbraw/zinc/05/37/83/248053783.db2.gz KWXMJKHMPNLLQZ-UHFFFAOYSA-N -1 3 356.382 0.428 10 0 FCAEHM NC(=O)c1coc(CNC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000436872744 248053961 /nfs/dbraw/zinc/05/39/61/248053961.db2.gz UYLCCCMIAMUTDX-UHFFFAOYSA-N -1 3 372.381 0.752 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)NCCc2nnc3n2CCC3)c([O-])c1 ZINC000436960556 248054548 /nfs/dbraw/zinc/05/45/48/248054548.db2.gz RJERLQTVCMSURC-UHFFFAOYSA-N -1 3 357.414 0.717 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c([O-])c1 ZINC000436960888 248055456 /nfs/dbraw/zinc/05/54/56/248055456.db2.gz FSKUGHDXQSYVMU-NFAWXSAZSA-N -1 3 359.426 0.946 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)NC[C@]2(CCO)CCOC2)c([O-])c1 ZINC000436975576 248056877 /nfs/dbraw/zinc/05/68/77/248056877.db2.gz LEYYXFGKKBXSKS-SFHVURJKSA-N -1 3 350.415 0.726 10 0 FCAEHM COC(C)(C)CS(=O)(=O)[N-]c1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC000439258932 248116354 /nfs/dbraw/zinc/11/63/54/248116354.db2.gz MOINYRVEHJBQQK-HNNXBMFYSA-N -1 3 355.416 0.908 10 0 FCAEHM COC(=O)CC1(NC(=O)c2cc(C)ccc2[O-])CCS(=O)(=O)CC1 ZINC000439369528 248123087 /nfs/dbraw/zinc/12/30/87/248123087.db2.gz KHGDWPWOXSIGKW-UHFFFAOYSA-N -1 3 355.412 0.941 10 0 FCAEHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCN2C(=O)N=NC2C1 ZINC000440789137 248214871 /nfs/dbraw/zinc/21/48/71/248214871.db2.gz YHLGSPIGUPUQRC-UHFFFAOYSA-N -1 3 365.371 0.203 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)N[C@@H]1CCCOC1 ZINC000441128543 248239523 /nfs/dbraw/zinc/23/95/23/248239523.db2.gz DKSRICSWVHSYJH-LLVKDONJSA-N -1 3 363.386 0.721 10 0 FCAEHM COC(=O)C1CCC([N-]S(=O)(=O)[C@H]2CCO[C@H]2C)(C(=O)OC)CC1 ZINC000442768817 248296110 /nfs/dbraw/zinc/29/61/10/248296110.db2.gz MGZXDVLOBNFUQN-BVWOZKJXSA-N -1 3 363.432 0.358 10 0 FCAEHM Cn1cc([C@H](CO)[N-]S(=O)(=O)c2ccccc2Cn2ccnc2)cn1 ZINC000443021269 248303552 /nfs/dbraw/zinc/30/35/52/248303552.db2.gz DFSBWBZKBICERE-HNNXBMFYSA-N -1 3 361.427 0.677 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)NCCCNC(=O)c2cccc([O-])c2)C[C@@H](C)O1 ZINC000443209255 248312163 /nfs/dbraw/zinc/31/21/63/248312163.db2.gz DYWFRZYLWBQOHM-CHWSQXEVSA-N -1 3 371.459 0.456 10 0 FCAEHM CC(C)COC[C@@H](O)C[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000443381534 248323668 /nfs/dbraw/zinc/32/36/68/248323668.db2.gz HGCMAVRYUWTZPE-LBPRGKRZSA-N -1 3 365.473 0.402 10 0 FCAEHM COCC[C@]1(NC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)CCOC1 ZINC000446375595 248388123 /nfs/dbraw/zinc/38/81/23/248388123.db2.gz BITRIBNOFRCPCX-LRDDRELGSA-N -1 3 374.434 0.804 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)N1CC[C@](O)(C(F)F)C1 ZINC000452670998 249326924 /nfs/dbraw/zinc/32/69/24/249326924.db2.gz PMHZFJKOMSMNPX-QGZVFWFLSA-N -1 3 365.336 0.486 10 0 FCAEHM Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000271361721 211387529 /nfs/dbraw/zinc/38/75/29/211387529.db2.gz JXORFKAYDPGXHS-RYUDHWBXSA-N -1 3 362.411 0.433 10 0 FCAEHM CC(C)C[C@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)C(=O)Nc1nccs1 ZINC000271360215 211386337 /nfs/dbraw/zinc/38/63/37/211386337.db2.gz QTXSBONYLPVVMA-IUCAKERBSA-N -1 3 353.404 0.211 10 0 FCAEHM Cc1nc([C@@H](NC(=O)CN2CC(=O)[N-]C2=O)c2ccc(Cl)cc2)no1 ZINC000271291492 211371181 /nfs/dbraw/zinc/37/11/81/211371181.db2.gz FAKQTQKXZFDHCA-ZDUSSCGKSA-N -1 3 363.761 0.789 10 0 FCAEHM COC(=O)c1cncc(NC(=O)C[N-]S(=O)(=O)CCOC(C)C)c1 ZINC000271139641 211343981 /nfs/dbraw/zinc/34/39/81/211343981.db2.gz OFDOEPJJRAUULZ-UHFFFAOYSA-N -1 3 359.404 0.151 10 0 FCAEHM COCC1(O)CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)CC1 ZINC000270797772 211269997 /nfs/dbraw/zinc/26/99/97/211269997.db2.gz VPZDXNXXEHTSNC-LBPRGKRZSA-N -1 3 374.434 0.492 10 0 FCAEHM NC(=O)N[C@H]1CCN(Cc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)C1 ZINC000270753239 211259784 /nfs/dbraw/zinc/25/97/84/211259784.db2.gz OWEYDYBINSYOCF-NSHDSACASA-N -1 3 353.386 0.764 10 0 FCAEHM CC(C)(C)OC(=O)NCC1CCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)CC1 ZINC000270630895 211238094 /nfs/dbraw/zinc/23/80/94/211238094.db2.gz VYEKGCIZKVYNOS-NSHDSACASA-N -1 3 354.407 0.348 10 0 FCAEHM COc1ccc(Cl)cc1N1CC[C@H](NC(=O)C[C@@H]2NC(=O)[N-]C2=O)C1 ZINC000270629761 211238001 /nfs/dbraw/zinc/23/80/01/211238001.db2.gz VOMNVIVEYWJXLF-QWRGUYRKSA-N -1 3 366.805 0.642 10 0 FCAEHM COc1ccc([C@@H](CNC(=O)C[C@@H]2NC(=O)[N-]C2=O)N2CCCC2)cc1 ZINC000270622391 211235878 /nfs/dbraw/zinc/23/58/78/211235878.db2.gz SDMWVDQFXQRYMW-LSDHHAIUSA-N -1 3 360.414 0.546 10 0 FCAEHM CC1CCN(Cc2csc(NC(=O)C[C@@H]3NC(=O)[N-]C3=O)n2)CC1 ZINC000270623677 211235898 /nfs/dbraw/zinc/23/58/98/211235898.db2.gz SIFWGDCJNNESAR-NSHDSACASA-N -1 3 351.432 0.912 10 0 FCAEHM C[C@@H]1CN(c2ccc(NC(=O)C[C@@H]3NC(=O)[N-]C3=O)cc2F)C[C@@H](C)O1 ZINC000270600148 211232622 /nfs/dbraw/zinc/23/26/22/211232622.db2.gz OCVGEFKKJCYTPT-BREBYQMCSA-N -1 3 364.377 0.976 10 0 FCAEHM O=C(NCc1ncccc1[O-])Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 ZINC000469904905 250012194 /nfs/dbraw/zinc/01/21/94/250012194.db2.gz GRQBLBNBRKFJPP-GFCCVEGCSA-N -1 3 355.354 0.859 10 0 FCAEHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]CCCN1CCCC1=O ZINC000270278705 211179337 /nfs/dbraw/zinc/17/93/37/211179337.db2.gz RYYUGAPIHUARFU-UHFFFAOYSA-N -1 3 358.391 0.903 10 0 FCAEHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]CCCN1CCOC1=O ZINC000270269125 211178932 /nfs/dbraw/zinc/17/89/32/211178932.db2.gz PZEBSAUSKSLFGF-UHFFFAOYSA-N -1 3 360.363 0.733 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)CS(C)(=O)=O)c(Cl)c1 ZINC000270259670 211177210 /nfs/dbraw/zinc/17/72/10/211177210.db2.gz VVBHGMXRQNDXFX-QMMMGPOBSA-N -1 3 369.848 0.838 10 0 FCAEHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@]1(C(=O)OC)CCSC1 ZINC000270213703 211168862 /nfs/dbraw/zinc/16/88/62/211168862.db2.gz GAYVCNQZPCGELN-LBPRGKRZSA-N -1 3 365.454 0.862 10 0 FCAEHM CC[C@H](NC(=O)CN1CC(=O)[N-]C1=O)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000270096915 211153699 /nfs/dbraw/zinc/15/36/99/211153699.db2.gz IEOLURRSHFEJFG-YOEHRIQHSA-N -1 3 370.413 0.623 10 0 FCAEHM COc1nc(NC(=O)[C@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)n[n-]1 ZINC000472438455 250151132 /nfs/dbraw/zinc/15/11/32/250151132.db2.gz PTCJDXXOEQHCGC-GFCCVEGCSA-N -1 3 361.280 0.384 10 0 FCAEHM COc1nnc(NC(=O)[C@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)[n-]1 ZINC000472438455 250151135 /nfs/dbraw/zinc/15/11/35/250151135.db2.gz PTCJDXXOEQHCGC-GFCCVEGCSA-N -1 3 361.280 0.384 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)n1 ZINC000472438455 250151138 /nfs/dbraw/zinc/15/11/38/250151138.db2.gz PTCJDXXOEQHCGC-GFCCVEGCSA-N -1 3 361.280 0.384 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-][C@@H](C)c2ccc(S(=O)(=O)NC)cc2)c1 ZINC000474078414 250267260 /nfs/dbraw/zinc/26/72/60/250267260.db2.gz APRINMGYMPSCKJ-NSHDSACASA-N -1 3 372.472 0.851 10 0 FCAEHM COC[C@](C)(CCO)NC(=O)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1 ZINC000480929679 250297082 /nfs/dbraw/zinc/29/70/82/250297082.db2.gz NTZZTKWWDFRGSK-DYVFJYSZSA-N -1 3 364.402 0.346 10 0 FCAEHM COC(=O)[C@H]1CCN(C(=O)Nc2ccc(C[C@H]3NC(=O)[N-]C3=O)cc2)C1 ZINC000480951764 250300457 /nfs/dbraw/zinc/30/04/57/250300457.db2.gz OCNBYSRQBXTQCU-WCQYABFASA-N -1 3 360.370 0.464 10 0 FCAEHM C[C@]1(c2ccc(C(=O)N[C@@H]3CCC[C@H](C(N)=O)C3)cc2)NC(=O)[N-]C1=O ZINC000480841292 250286261 /nfs/dbraw/zinc/28/62/61/250286261.db2.gz GYVOMHUUZADDBO-WHWRDJHUSA-N -1 3 358.398 0.515 10 0 FCAEHM C[C@]1(c2ccc(C(=O)N[C@@H]3CCC[C@@H](C(N)=O)C3)cc2)NC(=O)[N-]C1=O ZINC000480841287 250286466 /nfs/dbraw/zinc/28/64/66/250286466.db2.gz GYVOMHUUZADDBO-AEDCBLDQSA-N -1 3 358.398 0.515 10 0 FCAEHM C[C@@H](CO)[C@@H](C)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000269732095 211057193 /nfs/dbraw/zinc/05/71/93/211057193.db2.gz CRGXWXBVDUYPPP-DTWKUNHWSA-N -1 3 354.425 0.492 10 0 FCAEHM CN1CC[C@@H](NC(=O)CN2CC(=O)[N-]C2=O)[C@@H]1c1ccc(Cl)cc1 ZINC000089997222 208128938 /nfs/dbraw/zinc/12/89/38/208128938.db2.gz JOZROGUJZWXJJP-DOMZBBRYSA-N -1 3 350.806 0.753 10 0 FCAEHM Cc1cc([N-]C(=O)[C@H](C)N2CCN(c3ccc4nncn4n3)CC2)on1 ZINC000106092334 208208020 /nfs/dbraw/zinc/20/80/20/208208020.db2.gz UQBJPMMETNAUFL-LBPRGKRZSA-N -1 3 356.390 0.570 10 0 FCAEHM C[C@@H](CN1CCOCC1)[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000108360162 208245232 /nfs/dbraw/zinc/24/52/32/208245232.db2.gz AHUVYKQYAKIEGM-LBPRGKRZSA-N -1 3 362.473 0.089 10 0 FCAEHM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000116791284 208334139 /nfs/dbraw/zinc/33/41/39/208334139.db2.gz PFLGDGDUAPIJMJ-AWEZNQCLSA-N -1 3 361.446 0.773 10 0 FCAEHM COCCN1CCN(C(=O)CCn2[n-]c(=O)c3ccccc3c2=O)C[C@@H]1C ZINC000117293977 208342710 /nfs/dbraw/zinc/34/27/10/208342710.db2.gz OFWKPBSQCXDZKZ-AWEZNQCLSA-N -1 3 374.441 0.259 10 0 FCAEHM COCCN1CCN(C(=O)CCn2[n-]c(=O)c3ccccc3c2=O)C[C@H]1C ZINC000117293973 208343669 /nfs/dbraw/zinc/34/36/69/208343669.db2.gz OFWKPBSQCXDZKZ-CQSZACIVSA-N -1 3 374.441 0.259 10 0 FCAEHM CCn1c(=O)[n-]c(=O)c2c(C(=O)NCc3noc(C)n3)cc(C(C)C)nc21 ZINC000118648821 208350656 /nfs/dbraw/zinc/35/06/56/208350656.db2.gz KXFGJNMADQUOHG-UHFFFAOYSA-N -1 3 372.385 0.850 10 0 FCAEHM CC[C@H]1Oc2cc([C@@H](C)NC(=O)CN3CC(=O)[N-]C3=O)ccc2NC1=O ZINC000266616501 210368718 /nfs/dbraw/zinc/36/87/18/210368718.db2.gz COMUGLJHOBYEAP-BXKDBHETSA-N -1 3 360.370 0.525 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](n3cncn3)C2)ccc1F ZINC000177502158 209026608 /nfs/dbraw/zinc/02/66/08/209026608.db2.gz RGBWWNPNXLPHSM-GFCCVEGCSA-N -1 3 367.406 0.803 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N[C@@H]1CCCn2ncnc21 ZINC000177574668 209027597 /nfs/dbraw/zinc/02/75/97/209027597.db2.gz YBNZSVFXQAGZHF-CYBMUJFWSA-N -1 3 354.370 0.323 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177814009 209035682 /nfs/dbraw/zinc/03/56/82/209035682.db2.gz AOWNHBFCSXCDET-CQSZACIVSA-N -1 3 367.409 0.968 10 0 FCAEHM C[S@@](=O)CCC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000179136251 209073681 /nfs/dbraw/zinc/07/36/81/209073681.db2.gz CGIIJSCOBXDMKI-OAQYLSRUSA-N -1 3 364.514 0.786 10 0 FCAEHM NC(=O)[C@H]1COCCN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000179724678 209084803 /nfs/dbraw/zinc/08/48/03/209084803.db2.gz DYKORSXJDUGVMC-SNVBAGLBSA-N -1 3 360.395 0.931 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)c1nc([C@@H]2CNCCN2C)no1 ZINC000263239828 229316834 /nfs/dbraw/zinc/31/68/34/229316834.db2.gz OKIPFENYIZLCFF-JQWIXIFHSA-N -1 3 369.422 0.824 10 0 FCAEHM COc1cc2nc(C(=O)Nc3n[n-]c(N(C)C)n3)c(=O)n(C)c2cc1OC ZINC000614695955 484420642 /nfs/dbraw/zinc/42/06/42/484420642.db2.gz UWINKEXXXTVWTQ-UHFFFAOYSA-N -1 3 373.373 0.387 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H](C)[C@@H](C)OC)ccc1F ZINC000287649011 488891196 /nfs/dbraw/zinc/89/11/96/488891196.db2.gz HLQRJGWSESLIIG-DTWKUNHWSA-N -1 3 361.395 0.212 10 0 FCAEHM Cc1cc(C)c(S(=O)(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c(C)c1 ZINC000278714420 488891798 /nfs/dbraw/zinc/89/17/98/488891798.db2.gz KWNDNEKCXUDOSM-MRXNPFEDSA-N -1 3 351.428 0.975 10 0 FCAEHM COc1cc(C)cc(C)c1S(=O)(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000278745005 488893581 /nfs/dbraw/zinc/89/35/81/488893581.db2.gz NAQDOOPCDNOLOP-MRXNPFEDSA-N -1 3 367.427 0.675 10 0 FCAEHM O=C1[N-]C(=O)[C@]2(CCCN(S(=O)(=O)c3cnc4ccsc4c3)C2)N1 ZINC000278855173 488900286 /nfs/dbraw/zinc/90/02/86/488900286.db2.gz XFLAWVVMACFWDW-CQSZACIVSA-N -1 3 366.424 0.659 10 0 FCAEHM COc1c(C)cc(S(=O)(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1C ZINC000278825736 488898551 /nfs/dbraw/zinc/89/85/51/488898551.db2.gz UIYVUUIIAGDHRJ-INIZCTEOSA-N -1 3 367.427 0.675 10 0 FCAEHM O=C1[N-]C(=O)[C@]2(CCCN(S(=O)(=O)c3cccc4c3N=S=N4)C2)N1 ZINC000325429395 488910222 /nfs/dbraw/zinc/91/02/22/488910222.db2.gz QPFGXMFUNIICIN-CYBMUJFWSA-N -1 3 367.412 0.776 10 0 FCAEHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCN(C(C)=O)C[C@H]1C ZINC000287831950 488910974 /nfs/dbraw/zinc/91/09/74/488910974.db2.gz QBPLJIXCAIUISV-SNVBAGLBSA-N -1 3 367.427 0.861 10 0 FCAEHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C1CCC(C(N)=O)CC1 ZINC000326165662 488913369 /nfs/dbraw/zinc/91/33/69/488913369.db2.gz FXECSQQBPRMKNN-UHFFFAOYSA-N -1 3 358.391 0.935 10 0 FCAEHM C[C@@H](C(=O)NC(=O)Nc1ccccc1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279060544 488913930 /nfs/dbraw/zinc/91/39/30/488913930.db2.gz LNIVARLLKBVTRC-GTNSWQLSSA-N -1 3 359.386 0.397 10 0 FCAEHM CCCCc1nnc(NC(=O)CN2CCC[C@]3(C2)NC(=O)[N-]C3=O)s1 ZINC000279119387 488918809 /nfs/dbraw/zinc/91/88/09/488918809.db2.gz UMCRTWBOHNWUPN-OAHLLOKOSA-N -1 3 366.447 0.493 10 0 FCAEHM C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2cc(=O)[n-]c(N(C)C)n2)C1 ZINC000328629016 488924594 /nfs/dbraw/zinc/92/45/94/488924594.db2.gz HTUTUWBQYIKUKT-NWANDNLSSA-N -1 3 363.462 0.706 10 0 FCAEHM COc1ccc(OC)c(NC(=O)CN2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000279152356 488920899 /nfs/dbraw/zinc/92/08/99/488920899.db2.gz YYAWLWBFZQPZEG-KRWDZBQOSA-N -1 3 362.386 0.316 10 0 FCAEHM C[C@@H]1CC[C@@H](C(=O)N2CC[C@H](N(C)Cc3cc(=O)[n-]c(N(C)C)n3)C2)O1 ZINC000328629291 488925318 /nfs/dbraw/zinc/92/53/18/488925318.db2.gz ICTXYKOMBIVAME-SNPRPXQTSA-N -1 3 363.462 0.848 10 0 FCAEHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O ZINC000364170263 488930293 /nfs/dbraw/zinc/93/02/93/488930293.db2.gz MYBYTYVPXZVHPA-UHFFFAOYSA-N -1 3 363.374 0.732 10 0 FCAEHM CC(C)(C)OC(=O)N1CC(C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)C1 ZINC000279376698 488937117 /nfs/dbraw/zinc/93/71/17/488937117.db2.gz FEHKUDPOSQAHRU-INIZCTEOSA-N -1 3 352.391 0.054 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC[C@@]1(O)CCO[C@@H]1C ZINC000279459429 488944314 /nfs/dbraw/zinc/94/43/14/488944314.db2.gz KYVPROCZCFMJEP-RWSFTLGLSA-N -1 3 360.407 0.149 10 0 FCAEHM CCc1nc(-c2ccc(C(=O)N3CCC[C@]4(C3)NC(=O)[N-]C4=O)cc2)n[nH]1 ZINC000279516395 488948925 /nfs/dbraw/zinc/94/89/25/488948925.db2.gz PAVVPOQNSLKXME-GOSISDBHSA-N -1 3 368.397 0.848 10 0 FCAEHM O=C([C@H]1CC(c2cccc(F)c2)=NO1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279519856 488949671 /nfs/dbraw/zinc/94/96/71/488949671.db2.gz PIDVUQYPCLPFPA-CXAGYDPISA-N -1 3 360.345 0.519 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1C[C@H](O)C2(CC2)C1 ZINC000364445797 488960833 /nfs/dbraw/zinc/96/08/33/488960833.db2.gz BTKWMALUTXLNDB-QMMMGPOBSA-N -1 3 350.849 0.663 10 0 FCAEHM Cc1c2ccccc2oc(=O)c1C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279630371 488957731 /nfs/dbraw/zinc/95/77/31/488957731.db2.gz XZFDGAJFADYVDW-SFHVURJKSA-N -1 3 355.350 0.916 10 0 FCAEHM CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1C ZINC000279631947 488958088 /nfs/dbraw/zinc/95/80/88/488958088.db2.gz YDXAVUMRHPVTTD-QGZVFWFLSA-N -1 3 362.386 0.622 10 0 FCAEHM C[C@H](C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O)n1nnc(-c2ccccc2)n1 ZINC000279652330 488959474 /nfs/dbraw/zinc/95/94/74/488959474.db2.gz ZZMLOWZTERGUOY-PIGZYNQJSA-N -1 3 369.385 0.102 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000042849695 487879906 /nfs/dbraw/zinc/87/99/06/487879906.db2.gz KNSCNQJSBPOLLP-ZDUSSCGKSA-N -1 3 373.409 0.984 10 0 FCAEHM CN(C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000044909375 487925389 /nfs/dbraw/zinc/92/53/89/487925389.db2.gz GOZCXAYBHBVWGW-TZMCWYRMSA-N -1 3 366.439 0.642 10 0 FCAEHM CCS(=O)(=O)N(C)CCCNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000053507200 488203746 /nfs/dbraw/zinc/20/37/46/488203746.db2.gz PZTZDPUVWKIJON-UHFFFAOYSA-N -1 3 351.428 0.930 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)Nc2ccnn2[C@H](C)C2CC2)cn1C ZINC000066660782 488334711 /nfs/dbraw/zinc/33/47/11/488334711.db2.gz VUHXZLOLGMHHJI-SNVBAGLBSA-N -1 3 366.447 0.813 10 0 FCAEHM CC1(C)NC(=O)N(CC(=O)Nc2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)C1=O ZINC000065780460 488321392 /nfs/dbraw/zinc/32/13/92/488321392.db2.gz NUCBQDAUTKQVIN-QGZVFWFLSA-N -1 3 373.369 0.010 10 0 FCAEHM Cc1nc(C)c(CC(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)c(=O)[n-]1 ZINC000068440165 488365133 /nfs/dbraw/zinc/36/51/33/488365133.db2.gz JKSHXFCQQJRNSE-CYBMUJFWSA-N -1 3 360.389 0.529 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCCOC[C@H]1CCOC1 ZINC000068535015 488367051 /nfs/dbraw/zinc/36/70/51/488367051.db2.gz QKFHXXANMRPXQZ-NSHDSACASA-N -1 3 360.414 0.922 10 0 FCAEHM Cn1c(=O)c2ccc(C(=O)[N-]c3n[nH]c(C4CCC4)n3)nc2n(C)c1=O ZINC000184601510 488396714 /nfs/dbraw/zinc/39/67/14/488396714.db2.gz PBAFVZBUIAEXBA-UHFFFAOYSA-N -1 3 355.358 0.270 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)cn1 ZINC000184935004 488399079 /nfs/dbraw/zinc/39/90/79/488399079.db2.gz FIEURAQYFMBGAW-JTQLQIEISA-N -1 3 365.459 0.701 10 0 FCAEHM CN(C)[C@@H](CNC(=O)CN1CC(=O)[N-]C1=O)c1cccc(C(F)(F)F)c1 ZINC000186134537 488404400 /nfs/dbraw/zinc/40/44/00/488404400.db2.gz KWTIKUXNPCWURM-LBPRGKRZSA-N -1 3 372.347 0.976 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H](CC)[C@@H](O)C(F)F)on1 ZINC000599319500 492159628 /nfs/dbraw/zinc/15/96/28/492159628.db2.gz FSUPITMPWDNKKY-WCBMZHEXSA-N -1 3 356.347 0.675 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]Cc2ccnc(N3CCN(C)CC3)c2)c1 ZINC000080725995 488436879 /nfs/dbraw/zinc/43/68/79/488436879.db2.gz WIPKVCOMIFYUIJ-UHFFFAOYSA-N -1 3 364.475 0.528 10 0 FCAEHM CC(=O)N1CCO[C@@H](C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)C1 ZINC000935795553 674329496 /nfs/dbraw/zinc/32/94/96/674329496.db2.gz GXYQZWXPSPOPLK-GFCCVEGCSA-N -1 3 365.352 0.151 10 0 FCAEHM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)CC1=O ZINC000081372241 488441624 /nfs/dbraw/zinc/44/16/24/488441624.db2.gz TZQAWCFOCPYLBE-JMSVASOKSA-N -1 3 370.409 0.618 10 0 FCAEHM CCN(C[C@@H]1CCN(C(=O)CN2CC(=O)[N-]C2=O)C1)CC(F)(F)F ZINC000081447936 488441942 /nfs/dbraw/zinc/44/19/42/488441942.db2.gz ZGJZJYNKGFDCSK-JTQLQIEISA-N -1 3 350.341 0.271 10 0 FCAEHM COCc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1cccc2nonc21 ZINC000268801254 488450394 /nfs/dbraw/zinc/45/03/94/488450394.db2.gz PZVCRBSYUDSDAO-SNVBAGLBSA-N -1 3 364.387 0.774 10 0 FCAEHM CC(C)n1ncnc1Cn1cc(I)c(=O)[n-]c1=O ZINC000094206923 488480485 /nfs/dbraw/zinc/48/04/85/488480485.db2.gz XGLATXOELNDZAP-UHFFFAOYSA-N -1 3 361.143 0.362 10 0 FCAEHM COCCCS(=O)(=O)[N-]CC(=O)Nc1ccc(N2CCCC2)nc1 ZINC000269255128 488483063 /nfs/dbraw/zinc/48/30/63/488483063.db2.gz BMIMQESJVODSQQ-UHFFFAOYSA-N -1 3 356.448 0.576 10 0 FCAEHM COCCCS(=O)(=O)N1CCN(C(=O)c2cccc(OC)c2[O-])CC1 ZINC000269299855 488488802 /nfs/dbraw/zinc/48/88/02/488488802.db2.gz IYCGUIMCKPRPTO-UHFFFAOYSA-N -1 3 372.443 0.525 10 0 FCAEHM Cc1cc(N2CCC[C@@H]([N-]S(=O)(=O)CC[C@H]3CCCO3)C2=O)n(C)n1 ZINC000097015038 488492156 /nfs/dbraw/zinc/49/21/56/488492156.db2.gz FEFAXWWICQBILM-ZIAGYGMSSA-N -1 3 370.475 0.712 10 0 FCAEHM CC(C)[C@H]([N-]S(=O)(=O)N1CCC[C@H]1C)c1nc(-c2nc[nH]n2)no1 ZINC000248728417 488501616 /nfs/dbraw/zinc/50/16/16/488501616.db2.gz POTSMVOBUKPUNB-ZJUUUORDSA-N -1 3 355.424 0.871 10 0 FCAEHM Cc1noc(CCNC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)n1 ZINC000119558500 488557843 /nfs/dbraw/zinc/55/78/43/488557843.db2.gz XTOIUCNNZQUNEY-UHFFFAOYSA-N -1 3 364.836 0.730 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cc(C3CC3)nc3c2c(=O)[n-]c(=O)n3C)CC(=O)N1C ZINC000554589375 491211244 /nfs/dbraw/zinc/21/12/44/491211244.db2.gz HWJKWSDTOKPVGM-SECBINFHSA-N -1 3 371.397 0.214 10 0 FCAEHM O=S(=O)(C[C@@H]1CCCO1)[N-]C[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000563059376 491211518 /nfs/dbraw/zinc/21/15/18/491211518.db2.gz UFGYDJISGOAEHJ-NWDGAFQWSA-N -1 3 361.441 0.320 10 0 FCAEHM C[C@H](Cn1cncn1)NC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000263786531 488626839 /nfs/dbraw/zinc/62/68/39/488626839.db2.gz XLYIVJLDUQMQOE-CYBMUJFWSA-N -1 3 358.402 0.540 10 0 FCAEHM COCc1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1c(C)nn(C)c1Cl)CC2 ZINC000129022888 488628379 /nfs/dbraw/zinc/62/83/79/488628379.db2.gz NYSASJYEMIYDTM-SECBINFHSA-N -1 3 374.854 0.413 10 0 FCAEHM Cc1ccc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)cc1-c1nnnn1C1CC1 ZINC000273231640 488639251 /nfs/dbraw/zinc/63/92/51/488639251.db2.gz UURJQVACTXXNQB-LBPRGKRZSA-N -1 3 355.358 0.520 10 0 FCAEHM Cn1cc(OCC(=O)NCc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)cn1 ZINC000554565900 491209928 /nfs/dbraw/zinc/20/99/28/491209928.db2.gz AQEGKZRKTXURNA-KRWDZBQOSA-N -1 3 357.370 0.170 10 0 FCAEHM CC[C@H]1C(=O)NCCN1C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000264421409 488672281 /nfs/dbraw/zinc/67/22/81/488672281.db2.gz KBPFYEIZKMVFNG-JQWIXIFHSA-N -1 3 357.407 0.230 10 0 FCAEHM CSc1ccccc1NC(=O)CN(C)C(=O)CN1CC(=O)[N-]C1=O ZINC000264627365 488692311 /nfs/dbraw/zinc/69/23/11/488692311.db2.gz CHOCXSINDJSMMO-UHFFFAOYSA-N -1 3 350.400 0.357 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCCC[C@@H]2c2cccn2C)c1 ZINC000151775398 488709436 /nfs/dbraw/zinc/70/94/36/488709436.db2.gz TVANBBKINLSQEH-CQSZACIVSA-N -1 3 365.459 0.791 10 0 FCAEHM C[C@H](Sc1nnnn1C1CC1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000264793271 488712395 /nfs/dbraw/zinc/71/23/95/488712395.db2.gz SBSGUZFUXDVZJA-VIFPVBQESA-N -1 3 371.430 0.985 10 0 FCAEHM C[C@H](Sc1nnnn1C1CC1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000264793271 488712399 /nfs/dbraw/zinc/71/23/99/488712399.db2.gz SBSGUZFUXDVZJA-VIFPVBQESA-N -1 3 371.430 0.985 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H](O)c2ccccc2OC)cn1 ZINC000274684190 488727161 /nfs/dbraw/zinc/72/71/61/488727161.db2.gz SFOVNLHQRYOBLV-ZDUSSCGKSA-N -1 3 365.411 0.462 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)cn1 ZINC000274702134 488728268 /nfs/dbraw/zinc/72/82/68/488728268.db2.gz YMZHOMJXPZSONJ-NSHDSACASA-N -1 3 353.322 0.129 10 0 FCAEHM C[C@@H]1OCC[C@H]1S(=O)(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000275010081 488753137 /nfs/dbraw/zinc/75/31/37/488753137.db2.gz XYQNRPYYZHDELT-SWLSCSKDSA-N -1 3 354.428 0.657 10 0 FCAEHM CC(C)OCCS(=O)(=O)[N-]CC(=O)Nc1ccc(N2CCCC2)nc1 ZINC000267017893 488753261 /nfs/dbraw/zinc/75/32/61/488753261.db2.gz BRUNNKCVEYKEQP-UHFFFAOYSA-N -1 3 370.475 0.965 10 0 FCAEHM C[C@@H](CNC(=O)CN1CC(=O)[N-]C1=O)Oc1ccccc1Br ZINC000267183669 488768047 /nfs/dbraw/zinc/76/80/47/488768047.db2.gz ZSLWHNITTBUZIG-VIFPVBQESA-N -1 3 370.203 0.884 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)NC2CCN(CC(=O)[O-])CC2)cc1C ZINC000275270741 488778734 /nfs/dbraw/zinc/77/87/34/488778734.db2.gz NEFXEMRDFAYGGM-UHFFFAOYSA-N -1 3 370.427 0.609 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000267389594 488783269 /nfs/dbraw/zinc/78/32/69/488783269.db2.gz JWPRKKUWWRSHLX-LLVKDONJSA-N -1 3 350.762 0.113 10 0 FCAEHM Cc1cc(C[C@@H](C)NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)[nH]n1 ZINC000162033150 488800376 /nfs/dbraw/zinc/80/03/76/488800376.db2.gz OXNIILODMBHCEH-SSDOTTSWSA-N -1 3 370.207 0.078 10 0 FCAEHM O=S(=O)(Cc1c(F)cccc1F)[N-]C[C@@H](O)CN1CCOCC1 ZINC000164842660 488810856 /nfs/dbraw/zinc/81/08/56/488810856.db2.gz WPLAHWAJTYFLFA-LLVKDONJSA-N -1 3 350.387 0.077 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NCCNc1cccc(Br)c1 ZINC000180379988 488862059 /nfs/dbraw/zinc/86/20/59/488862059.db2.gz PLLWFHMOROTDEP-UHFFFAOYSA-N -1 3 355.192 0.529 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@H](CO)c1ccccc1OC(F)(F)F ZINC000280275417 488994116 /nfs/dbraw/zinc/99/41/16/488994116.db2.gz REAHREMXZUSBNM-DTWKUNHWSA-N -1 3 361.276 0.333 10 0 FCAEHM O=C(CS(=O)(=O)c1nc(C2CC2)n[n-]1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000329382647 488999130 /nfs/dbraw/zinc/99/91/30/488999130.db2.gz OMDHEJXUSKMVDX-VXGBXAGGSA-N -1 3 354.432 0.626 10 0 FCAEHM O=C(CS(=O)(=O)c1nnc(C2CC2)[n-]1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000329382647 488999134 /nfs/dbraw/zinc/99/91/34/488999134.db2.gz OMDHEJXUSKMVDX-VXGBXAGGSA-N -1 3 354.432 0.626 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000329420289 489002604 /nfs/dbraw/zinc/00/26/04/489002604.db2.gz GTZQYFXBHXCJJA-FPMFFAJLSA-N -1 3 370.475 0.511 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1ccc(Cl)c(CN2CCOCC2)c1 ZINC000280432083 489007503 /nfs/dbraw/zinc/00/75/03/489007503.db2.gz ACFGNSKQGPAHRV-ZDUSSCGKSA-N -1 3 366.805 0.709 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000329483826 489009292 /nfs/dbraw/zinc/00/92/92/489009292.db2.gz SAQJZEOLFOWVMS-UHFFFAOYSA-N -1 3 356.333 0.315 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC[C@H](CO)[C@H]1CCOC1 ZINC000280478436 489012008 /nfs/dbraw/zinc/01/20/08/489012008.db2.gz NQCMBOISDVBZAO-RWMBFGLXSA-N -1 3 374.434 0.254 10 0 FCAEHM COc1cccc(CNC(=O)[C@@H](C)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000288786903 489016062 /nfs/dbraw/zinc/01/60/62/489016062.db2.gz CBMRUEKTFMZBRZ-OCCSQVGLSA-N -1 3 359.430 0.991 10 0 FCAEHM Cc1cc(C)c(N2CC[C@@H](NC(=O)C[C@@H]3NC(=O)[N-]C3=O)C2=O)c(C)c1 ZINC000364929895 489018907 /nfs/dbraw/zinc/01/89/07/489018907.db2.gz KUCDYCLBWZSZQD-OLZOCXBDSA-N -1 3 358.398 0.431 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)c2cc(C(=O)OC)on2)s1 ZINC000280860256 489036512 /nfs/dbraw/zinc/03/65/12/489036512.db2.gz XKDDIQMDXRBQGY-UHFFFAOYSA-N -1 3 359.385 0.361 10 0 FCAEHM CCOc1ccncc1S(=O)(=O)[N-]CCCNS(=O)(=O)CC ZINC000289118158 489042833 /nfs/dbraw/zinc/04/28/33/489042833.db2.gz KILAMWYZNPGPFC-UHFFFAOYSA-N -1 3 351.450 0.088 10 0 FCAEHM COc1ccccc1CN(C)C(=O)CN1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000289175089 489046907 /nfs/dbraw/zinc/04/69/07/489046907.db2.gz FOIBXABVVNPJMZ-AWEZNQCLSA-N -1 3 359.430 0.945 10 0 FCAEHM CC(C)n1ncnc1CNC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000281267928 489063655 /nfs/dbraw/zinc/06/36/55/489063655.db2.gz VWWSTRIIZQIUOV-JTQLQIEISA-N -1 3 357.461 0.904 10 0 FCAEHM C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000289504543 489072229 /nfs/dbraw/zinc/07/22/29/489072229.db2.gz ULINSGGMYSDWMC-HTQZYQBOSA-N -1 3 364.328 0.054 10 0 FCAEHM CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)[N-][C@H]1CC(=O)N(C(C)C)C1=O ZINC000330182909 489077708 /nfs/dbraw/zinc/07/77/08/489077708.db2.gz HORPCGIKHIOZLL-KGLIPLIRSA-N -1 3 373.475 0.233 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C[C@H](CO)[C@H]1CCOC1 ZINC000289655522 489084123 /nfs/dbraw/zinc/08/41/23/489084123.db2.gz BFRGWOMMBTVDTB-NWDGAFQWSA-N -1 3 361.416 0.606 10 0 FCAEHM COC(C)(C)CS(=O)(=O)[N-][C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000289683106 489085839 /nfs/dbraw/zinc/08/58/39/489085839.db2.gz CPXKINRSEBARMS-CQSZACIVSA-N -1 3 355.460 0.917 10 0 FCAEHM COCC[C@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C(=O)OC ZINC000289773269 489091997 /nfs/dbraw/zinc/09/19/97/489091997.db2.gz GPHZLOQACQWFRD-QMMMGPOBSA-N -1 3 356.322 0.957 10 0 FCAEHM COc1ccc(-n2cc(C[N-]S(=O)(=O)[C@H](C)C(=O)N(C)C)nn2)cc1 ZINC000365796428 489114631 /nfs/dbraw/zinc/11/46/31/489114631.db2.gz PZMCTHBIDNDKIF-LLVKDONJSA-N -1 3 367.431 0.172 10 0 FCAEHM CCOc1ccccc1CN1CCN(C(=O)CN2CC(=O)[N-]C2=O)[C@@H](C)C1 ZINC000281895835 489115627 /nfs/dbraw/zinc/11/56/27/489115627.db2.gz YQLDUWJGVTUNJD-AWEZNQCLSA-N -1 3 374.441 0.670 10 0 FCAEHM O=S(=O)([N-][C@H]1CCCS(=O)(=O)C1)c1cccnc1C(F)(F)F ZINC000330677969 489131945 /nfs/dbraw/zinc/13/19/45/489131945.db2.gz VZOPROYQRHDCTE-QMMMGPOBSA-N -1 3 358.363 0.956 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)Cn2cc(C(N)=O)c3ccccc32)nc1=N ZINC000563267231 491234384 /nfs/dbraw/zinc/23/43/84/491234384.db2.gz CIBCFKNLFARXGO-CQSZACIVSA-N -1 3 367.413 0.645 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(CC)[C@H]1CCNC1=O ZINC000282056487 489128897 /nfs/dbraw/zinc/12/88/97/489128897.db2.gz QCLZETIQLJUGKP-JTQLQIEISA-N -1 3 367.427 0.909 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2COc3ccc(F)cc3C2)cn1 ZINC000290424468 489139356 /nfs/dbraw/zinc/13/93/56/489139356.db2.gz AMQIFOVAIKFRFV-ZDUSSCGKSA-N -1 3 365.386 0.862 10 0 FCAEHM CN(CCCC(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O)C(=O)OC(C)(C)C ZINC000366091446 489143664 /nfs/dbraw/zinc/14/36/64/489143664.db2.gz ZQRTVMUKRXKSAT-QGZVFWFLSA-N -1 3 368.434 0.834 10 0 FCAEHM O=C(CN1CCC[C@@]2(C1)NC(=O)[N-]C2=O)Nc1ccccc1OC(F)F ZINC000366105942 489145432 /nfs/dbraw/zinc/14/54/32/489145432.db2.gz BMTKWBVDPATLKQ-INIZCTEOSA-N -1 3 368.340 0.901 10 0 FCAEHM COc1ccc2c(c1)C=C(C(=O)N1CCC[C@]3(C1)NC(=O)[N-]C3=O)CO2 ZINC000366121365 489147876 /nfs/dbraw/zinc/14/78/76/489147876.db2.gz CKQCWNINPUKYAI-GOSISDBHSA-N -1 3 357.366 0.672 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCOCC(F)(F)C1 ZINC000290564442 489149765 /nfs/dbraw/zinc/14/97/65/489149765.db2.gz GDDFKBDSSUESTR-JTQLQIEISA-N -1 3 366.361 0.987 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C[C@H]1CN(C)CCN1C ZINC000290716172 489159988 /nfs/dbraw/zinc/15/99/88/489159988.db2.gz JYYPJQBMJIUOQD-LBPRGKRZSA-N -1 3 359.448 0.207 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@H]2CCN(C3CCOCC3)C2=O)nc1Cl ZINC000366455992 489184883 /nfs/dbraw/zinc/18/48/83/489184883.db2.gz LBHYLEZNKZERKZ-JTQLQIEISA-N -1 3 362.839 0.132 10 0 FCAEHM O=C(NC1CC1)c1cccc(C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000570394534 491238112 /nfs/dbraw/zinc/23/81/12/491238112.db2.gz UCVDQRIDNCQEHX-GOSISDBHSA-N -1 3 356.382 0.393 10 0 FCAEHM CC[C@H]1CN(C(=O)C[N-]S(=O)(=O)c2cccs2)C[C@]2(CCOC2)O1 ZINC000366540158 489192526 /nfs/dbraw/zinc/19/25/26/489192526.db2.gz NTTKUHLOMUKIQA-WFASDCNBSA-N -1 3 374.484 0.823 10 0 FCAEHM Cc1noc(CCNC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])n1 ZINC000282903036 489198181 /nfs/dbraw/zinc/19/81/81/489198181.db2.gz CVYLNBGYBGIIJA-UHFFFAOYSA-N -1 3 359.317 0.538 10 0 FCAEHM Cc1noc(CCNC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)n1 ZINC000282903036 489198182 /nfs/dbraw/zinc/19/81/82/489198182.db2.gz CVYLNBGYBGIIJA-UHFFFAOYSA-N -1 3 359.317 0.538 10 0 FCAEHM O=C(CCn1cnc2ccccc2c1=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000283027966 489207640 /nfs/dbraw/zinc/20/76/40/489207640.db2.gz YDADFFFFGMETKN-LBPRGKRZSA-N -1 3 368.397 0.604 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CC[C@]2(C1)CCCOC2 ZINC000368226223 489217108 /nfs/dbraw/zinc/21/71/08/489217108.db2.gz MXYJIOWFCYPOFV-HNNXBMFYSA-N -1 3 357.432 0.599 10 0 FCAEHM COCCOc1ccc(CC(=O)Nc2[n-]nnc2C(=O)NC2CC2)cc1 ZINC000297705104 489227038 /nfs/dbraw/zinc/22/70/38/489227038.db2.gz KHFFXFWZIYBRED-UHFFFAOYSA-N -1 3 359.386 0.903 10 0 FCAEHM COCCOc1ccc(CC(=O)Nc2nn[n-]c2C(=O)NC2CC2)cc1 ZINC000297705104 489227041 /nfs/dbraw/zinc/22/70/41/489227041.db2.gz KHFFXFWZIYBRED-UHFFFAOYSA-N -1 3 359.386 0.903 10 0 FCAEHM COCCOc1ccc(CC(=O)Nc2n[n-]nc2C(=O)NC2CC2)cc1 ZINC000297705104 489227044 /nfs/dbraw/zinc/22/70/44/489227044.db2.gz KHFFXFWZIYBRED-UHFFFAOYSA-N -1 3 359.386 0.903 10 0 FCAEHM CNC(=O)[C@@H]1CCCN1C(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC000283223628 489229033 /nfs/dbraw/zinc/22/90/33/489229033.db2.gz YKOOVKMZSIXBIA-LBPRGKRZSA-N -1 3 360.345 0.225 10 0 FCAEHM CNC(=O)[C@@H]1CCCN1C(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000283223628 489229035 /nfs/dbraw/zinc/22/90/35/489229035.db2.gz YKOOVKMZSIXBIA-LBPRGKRZSA-N -1 3 360.345 0.225 10 0 FCAEHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)C[C@@H]1CCOC[C@@H]1OC ZINC000297952978 489267943 /nfs/dbraw/zinc/26/79/43/489267943.db2.gz GEUIWZMVMHUVFH-ONGXEEELSA-N -1 3 354.359 0.968 10 0 FCAEHM CC(=O)N1CCCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)CC1 ZINC000298091246 489289093 /nfs/dbraw/zinc/28/90/93/489289093.db2.gz TYQBFRHAQWFFQC-LBPRGKRZSA-N -1 3 371.434 0.573 10 0 FCAEHM Cc1n[nH]cc1[N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000349541165 489311668 /nfs/dbraw/zinc/31/16/68/489311668.db2.gz KVQWJNRNQNFJNB-PTEHBNRSSA-N -1 3 362.477 0.568 10 0 FCAEHM COC[C@H](O)CNC(=O)c1c(C)oc2[n-]c(=O)n(-c3ccccc3)c(=O)c21 ZINC000555348429 491247699 /nfs/dbraw/zinc/24/76/99/491247699.db2.gz QTKPJUFFWYUWJP-GFCCVEGCSA-N -1 3 373.365 0.730 10 0 FCAEHM Cc1n[nH]c(C)c1[N-]S(=O)(=O)CCCS(=O)(=O)NC[C@H]1C[C@@H]1C ZINC000349567707 489317087 /nfs/dbraw/zinc/31/70/87/489317087.db2.gz NNXBFFJTCWIOAM-JOYOIKCWSA-N -1 3 364.493 0.734 10 0 FCAEHM Cc1n[nH]c(C)c1[N-]S(=O)(=O)CCCS(=O)(=O)NC[C@@H]1C[C@@H]1C ZINC000349567706 489317182 /nfs/dbraw/zinc/31/71/82/489317182.db2.gz NNXBFFJTCWIOAM-CABZTGNLSA-N -1 3 364.493 0.734 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2ccnnc2)[C@@H]1C ZINC000349606569 489327026 /nfs/dbraw/zinc/32/70/26/489327026.db2.gz JTQZGGSMXDJOBK-VXGBXAGGSA-N -1 3 362.477 0.669 10 0 FCAEHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N[C@@H]1COC[C@H]1O ZINC000298485684 489330866 /nfs/dbraw/zinc/33/08/66/489330866.db2.gz RYBVYOMHDXPPAZ-VXGBXAGGSA-N -1 3 371.349 0.482 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c(C)o1 ZINC000370244347 489334283 /nfs/dbraw/zinc/33/42/83/489334283.db2.gz PHMRBYLGZZMAQW-MKPLZMMCSA-N -1 3 355.416 0.235 10 0 FCAEHM Cn1cc(/C=C/c2nc(-c3ccc4nn[n-]c4c3)no2)c(=O)n(C)c1=O ZINC000350485738 489340276 /nfs/dbraw/zinc/34/02/76/489340276.db2.gz NHNPGZABYGQAKC-GQCTYLIASA-N -1 3 351.326 0.576 10 0 FCAEHM CN(CC(C)(CO)CO)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000370368346 489350527 /nfs/dbraw/zinc/35/05/27/489350527.db2.gz ZZPINZAMQBUSTP-AWEZNQCLSA-N -1 3 350.415 0.446 10 0 FCAEHM CCCCS(=O)(=O)[N-]Cc1nc(Cc2nc(C3CC3)nn2C)no1 ZINC000351363645 489354853 /nfs/dbraw/zinc/35/48/53/489354853.db2.gz FCDFZMWMCIYCGU-UHFFFAOYSA-N -1 3 354.436 0.886 10 0 FCAEHM O=C(C[C@]1(C(=O)[N-]O[C@@H]2CCCCO2)CC[NH2+]C1)[N-]O[C@H]1CCCCO1 ZINC000361738733 489364392 /nfs/dbraw/zinc/36/43/92/489364392.db2.gz AXOUIKFMZIBVAK-ZMSDIMECSA-N -1 3 371.434 0.505 10 0 FCAEHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](S(=O)(=O)N(C)C)C2)c1 ZINC000286393031 489387110 /nfs/dbraw/zinc/38/71/10/489387110.db2.gz QVKPPDVVOJEIKV-CYBMUJFWSA-N -1 3 369.443 0.847 10 0 FCAEHM COc1ccc(-n2cc(CNC(=O)c3cn(C)c(=O)[n-]c3=O)nn2)cc1 ZINC000362442226 489387779 /nfs/dbraw/zinc/38/77/79/489387779.db2.gz OIKNTQHAZSQJIH-UHFFFAOYSA-N -1 3 356.342 0.005 10 0 FCAEHM NC(=O)c1cc(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])on1 ZINC000370737320 489395412 /nfs/dbraw/zinc/39/54/12/489395412.db2.gz GZNXOKWZEYKOBA-CYBMUJFWSA-N -1 3 358.354 0.400 10 0 FCAEHM O=C(c1cccc([O-])c1)N1CCN(C(=O)c2ccnc3n[nH]nc32)CC1 ZINC000555539468 491253212 /nfs/dbraw/zinc/25/32/12/491253212.db2.gz FWYLHNPTFCMFPM-UHFFFAOYSA-N -1 3 352.354 0.657 10 0 FCAEHM O=C(Cn1cnnn1)N1CCN(C(=O)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000299250111 489424479 /nfs/dbraw/zinc/42/44/79/489424479.db2.gz BLTJPYQVFRYFGJ-UHFFFAOYSA-N -1 3 370.413 0.242 10 0 FCAEHM COC(=O)c1cn(CC(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)nn1 ZINC000363356543 489456581 /nfs/dbraw/zinc/45/65/81/489456581.db2.gz RXZHHWCUWHGFAT-UHFFFAOYSA-N -1 3 368.353 0.762 10 0 FCAEHM C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000287072700 489458148 /nfs/dbraw/zinc/45/81/48/489458148.db2.gz MWWZAFDSCGBGMY-MGPLVRAMSA-N -1 3 354.407 0.348 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@H](C)Cn2cncn2)s1 ZINC000299583441 489458613 /nfs/dbraw/zinc/45/86/13/489458613.db2.gz BYECQWBJEJVPBO-SECBINFHSA-N -1 3 358.449 0.136 10 0 FCAEHM CS(=O)(=O)NCC1CCN(C(=O)c2cc(F)cc3[n-]nnc32)CC1 ZINC000287185950 489468428 /nfs/dbraw/zinc/46/84/28/489468428.db2.gz ZVIDKGTWWYCALX-UHFFFAOYSA-N -1 3 355.395 0.498 10 0 FCAEHM CS(=O)(=O)NCC1CCN(C(=O)c2cc(F)cc3nn[n-]c32)CC1 ZINC000287185950 489468430 /nfs/dbraw/zinc/46/84/30/489468430.db2.gz ZVIDKGTWWYCALX-UHFFFAOYSA-N -1 3 355.395 0.498 10 0 FCAEHM CS(=O)(=O)NCC1CCN(C(=O)c2cc(F)cc3n[n-]nc32)CC1 ZINC000287185950 489468431 /nfs/dbraw/zinc/46/84/31/489468431.db2.gz ZVIDKGTWWYCALX-UHFFFAOYSA-N -1 3 355.395 0.498 10 0 FCAEHM COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000371225383 489468729 /nfs/dbraw/zinc/46/87/29/489468729.db2.gz IYUBCYHFWICLKK-QWHCGFSZSA-N -1 3 374.397 0.531 10 0 FCAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H](NC(=O)C3CC3)[C@H](C)O)cc2)n1 ZINC000371562765 489488490 /nfs/dbraw/zinc/48/84/90/489488490.db2.gz WKMYEJUWGYLRBB-MEDUHNTESA-N -1 3 370.409 0.959 10 0 FCAEHM COC(=O)c1ncccc1S(=O)(=O)[N-][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000451280145 489496615 /nfs/dbraw/zinc/49/66/15/489496615.db2.gz GEPQCMINKSUODG-MXWKQRLJSA-N -1 3 353.400 0.156 10 0 FCAEHM CCOc1ccncc1S(=O)(=O)[N-]C[C@@](C)(O)C(=O)OC(C)(C)C ZINC000451395321 489502564 /nfs/dbraw/zinc/50/25/64/489502564.db2.gz VTJXAMRWLNOOEA-OAHLLOKOSA-N -1 3 360.432 0.851 10 0 FCAEHM C[C@]1(c2cccc(C(=O)NCC(=O)NC3CCCCC3)c2)NC(=O)[N-]C1=O ZINC000426162267 489557770 /nfs/dbraw/zinc/55/77/70/489557770.db2.gz QQCPQYSPYSDVPZ-LJQANCHMSA-N -1 3 372.425 0.920 10 0 FCAEHM NC(=O)[C@H](CNC(=O)CNC(=O)c1cccc([O-])c1)Cc1ccc(F)cc1 ZINC000426651599 489577991 /nfs/dbraw/zinc/57/79/91/489577991.db2.gz NEQRINDUHQEYET-AWEZNQCLSA-N -1 3 373.384 0.722 10 0 FCAEHM C[C@]1(c2cccc(C(=O)N[C@H]3CCCCC[C@@H]3C(N)=O)c2)NC(=O)[N-]C1=O ZINC000426793178 489582620 /nfs/dbraw/zinc/58/26/20/489582620.db2.gz MJJYXOBPKUZYMD-CKFHNAJUSA-N -1 3 372.425 0.905 10 0 FCAEHM C[C@H]1CCCc2nc(S(=O)(=O)[N-]CCCN3C(=O)CNC3=O)cn21 ZINC000416391685 489588324 /nfs/dbraw/zinc/58/83/24/489588324.db2.gz RJIMKYSCLJYMBI-JTQLQIEISA-N -1 3 355.420 0.001 10 0 FCAEHM CCNC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)C1 ZINC000416427436 489591975 /nfs/dbraw/zinc/59/19/75/489591975.db2.gz MNZPUBZIOLWWLG-MRVPVSSYSA-N -1 3 372.378 0.342 10 0 FCAEHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000427136519 489595884 /nfs/dbraw/zinc/59/58/84/489595884.db2.gz NRVFZAQEFKRXDX-UHFFFAOYSA-N -1 3 357.414 0.953 10 0 FCAEHM COC(=O)C[C@]1([N-]S(=O)(=O)c2cn3c(n2)CCC[C@@H]3C)CCOC1 ZINC000416464475 489596222 /nfs/dbraw/zinc/59/62/22/489596222.db2.gz HURDQGQBTZHWJG-XHDPSFHLSA-N -1 3 357.432 0.781 10 0 FCAEHM COCCc1cc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)n(C)n1 ZINC000427206188 489597995 /nfs/dbraw/zinc/59/79/95/489597995.db2.gz OIRRNNTUTFPJGJ-SNVBAGLBSA-N -1 3 372.472 0.976 10 0 FCAEHM COC(=O)c1cn(CC[N-]S(=O)(=O)c2cn3c(n2)CCC[C@H]3C)nn1 ZINC000416480731 489599690 /nfs/dbraw/zinc/59/96/90/489599690.db2.gz SPAOGZHUOHEAEK-SNVBAGLBSA-N -1 3 368.419 0.137 10 0 FCAEHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-][C@H]3CCCN(CCCO)C3)cn21 ZINC000416489243 489600586 /nfs/dbraw/zinc/60/05/86/489600586.db2.gz PWLZZROLTMJOBB-KGLIPLIRSA-N -1 3 356.492 0.906 10 0 FCAEHM COCCN(C)S(=O)(=O)[N-][C@H]1c2sccc2OC(C)(C)[C@@H]1O ZINC000416547778 489608797 /nfs/dbraw/zinc/60/87/97/489608797.db2.gz NBDSLNLDBQTQJJ-CMPLNLGQSA-N -1 3 350.462 0.734 10 0 FCAEHM Cn1nccc1[C@H](CO)[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000416555535 489609379 /nfs/dbraw/zinc/60/93/79/489609379.db2.gz XMLXJCMDXFMSQU-VIFPVBQESA-N -1 3 361.221 0.590 10 0 FCAEHM O=S(=O)([N-]C[C@@H](O)Cn1ccnn1)c1c(Cl)cccc1Cl ZINC000416559145 489609784 /nfs/dbraw/zinc/60/97/84/489609784.db2.gz JLQZAJYIQJXNNA-MRVPVSSYSA-N -1 3 351.215 0.924 10 0 FCAEHM Cn1cc(N2CCC[C@H](NC(=O)CNC(=O)c3cccc([O-])c3)C2)cn1 ZINC000427505008 489612521 /nfs/dbraw/zinc/61/25/21/489612521.db2.gz GCQGCZFEJXQBIO-AWEZNQCLSA-N -1 3 357.414 0.641 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NC[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000427533195 489613374 /nfs/dbraw/zinc/61/33/74/489613374.db2.gz GRWGGQODXBPJPY-SNVBAGLBSA-N -1 3 373.331 0.524 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NC[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000427568025 489614258 /nfs/dbraw/zinc/61/42/58/489614258.db2.gz CCNYNTMHAXBZDM-NSHDSACASA-N -1 3 373.331 0.524 10 0 FCAEHM CCS(=O)(=O)C1CN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000456314232 489614449 /nfs/dbraw/zinc/61/44/49/489614449.db2.gz LKAMMAMGUUBBOM-CQSZACIVSA-N -1 3 366.439 0.642 10 0 FCAEHM C[C@@H]1CN(CCO)CCN1C(=O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000457117243 489636309 /nfs/dbraw/zinc/63/63/09/489636309.db2.gz JJTNZPIUJMWWQD-CYBMUJFWSA-N -1 3 373.450 0.019 10 0 FCAEHM COCCN(C(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1)[C@@H]1CCOC1 ZINC000428544548 489652951 /nfs/dbraw/zinc/65/29/51/489652951.db2.gz JDTZXSXXPHTXLR-VXGBXAGGSA-N -1 3 362.473 0.679 10 0 FCAEHM C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]Cc1noc(-c2cccc(F)c2)n1 ZINC000372975582 489658002 /nfs/dbraw/zinc/65/80/02/489658002.db2.gz GMQNMJCPUTVPII-VIFPVBQESA-N -1 3 356.379 0.772 10 0 FCAEHM COc1nc(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)n[n-]1 ZINC000373042315 489663448 /nfs/dbraw/zinc/66/34/48/489663448.db2.gz LJPVEAFNYLTCAF-PWSUYJOCSA-N -1 3 361.406 0.874 10 0 FCAEHM COc1nnc(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)[n-]1 ZINC000373042315 489663451 /nfs/dbraw/zinc/66/34/51/489663451.db2.gz LJPVEAFNYLTCAF-PWSUYJOCSA-N -1 3 361.406 0.874 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)n1 ZINC000373042315 489663453 /nfs/dbraw/zinc/66/34/53/489663453.db2.gz LJPVEAFNYLTCAF-PWSUYJOCSA-N -1 3 361.406 0.874 10 0 FCAEHM O=S(=O)([N-]Cc1ccc(S(=O)(=O)CCO)cc1)c1cscn1 ZINC000563807610 491269993 /nfs/dbraw/zinc/26/99/93/491269993.db2.gz BCIOTTLYCTZLPU-UHFFFAOYSA-N -1 3 362.454 0.388 10 0 FCAEHM Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)C(=O)[N-]c1cnns1 ZINC000430015663 489714971 /nfs/dbraw/zinc/71/49/71/489714971.db2.gz MHMWVWGDBJCWLA-JTQLQIEISA-N -1 3 350.404 0.427 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)Nc1ccc2c(c1)OCC(=O)N2 ZINC000490645300 489778284 /nfs/dbraw/zinc/77/82/84/489778284.db2.gz CELHJFCVLCQVHN-UHFFFAOYSA-N -1 3 367.408 0.996 10 0 FCAEHM CCOC(=O)[C@H](Cc1ccccc1Cl)NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000474847274 489789395 /nfs/dbraw/zinc/78/93/95/489789395.db2.gz YSXSEMJIDXTRNW-RYUDHWBXSA-N -1 3 367.789 0.529 10 0 FCAEHM O=C1[C@H]([N-]S(=O)(=O)c2cncc(Cl)c2)CCN1C1CCOCC1 ZINC000376791472 489797562 /nfs/dbraw/zinc/79/75/62/489797562.db2.gz AYZFPZPIZFCHAO-CYBMUJFWSA-N -1 3 359.835 0.793 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)Nc2cn(C)nc2OC)s1 ZINC000474981127 489797845 /nfs/dbraw/zinc/79/78/45/489797845.db2.gz OVRSDAAPWMGVFJ-UHFFFAOYSA-N -1 3 359.433 0.720 10 0 FCAEHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)Cc1cnccn1 ZINC000491580959 489808426 /nfs/dbraw/zinc/80/84/26/489808426.db2.gz HJVPYPJJHYLUJI-UHFFFAOYSA-N -1 3 370.456 0.596 10 0 FCAEHM COC(=O)CNC(=O)c1ccc(NC(=O)c2c[n-]c(C(=O)OC)c2)cc1 ZINC000431677453 489816224 /nfs/dbraw/zinc/81/62/24/489816224.db2.gz VWPFPNCHPUFXTC-UHFFFAOYSA-N -1 3 359.338 0.956 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-]CCc2nnc3n2CCC3)oc1C ZINC000431833333 489820911 /nfs/dbraw/zinc/82/09/11/489820911.db2.gz NZKIEYVFAFCFAL-UHFFFAOYSA-N -1 3 354.388 0.433 10 0 FCAEHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]C2(CC(N)=O)CCC2)s1 ZINC000475405390 489823789 /nfs/dbraw/zinc/82/37/89/489823789.db2.gz VHFWGYVGVWNZNB-UHFFFAOYSA-N -1 3 359.473 0.503 10 0 FCAEHM CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000377043318 489842047 /nfs/dbraw/zinc/84/20/47/489842047.db2.gz XEJHZHGIJJUGFH-APPDUMDISA-N -1 3 366.418 0.587 10 0 FCAEHM COC1(CO)CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000377076889 489848122 /nfs/dbraw/zinc/84/81/22/489848122.db2.gz IGBBBJLSJAUXJE-HNNXBMFYSA-N -1 3 362.426 0.997 10 0 FCAEHM C[C@H](CCNC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)[S@@](C)=O ZINC000493864355 489859505 /nfs/dbraw/zinc/85/95/05/489859505.db2.gz NRPOZTUKVIKWEQ-DWBJOHEJSA-N -1 3 351.428 0.628 10 0 FCAEHM C[C@@]1(c2ccc(CNC(=O)NC[C@@H](CO)C3CC3)cc2)NC(=O)[N-]C1=O ZINC000460347344 489864520 /nfs/dbraw/zinc/86/45/20/489864520.db2.gz BWKNPVNRDMQTSM-UGSOOPFHSA-N -1 3 360.414 0.559 10 0 FCAEHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)[C@H]1OC ZINC000460487629 489868490 /nfs/dbraw/zinc/86/84/90/489868490.db2.gz GICOIBIYIZOMLF-JTNHKYCSSA-N -1 3 363.457 0.561 10 0 FCAEHM C[C@@H]1COCC[C@@H]1NC(=O)NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000433330091 489876685 /nfs/dbraw/zinc/87/66/85/489876685.db2.gz VZMRCQWELUJCMM-VZSAFFHGSA-N -1 3 360.414 0.965 10 0 FCAEHM O=C1[N-]C(=O)[C@]2(CCCN(S(=O)(=O)Cc3noc4ccccc34)C2)N1 ZINC000433440679 489883612 /nfs/dbraw/zinc/88/36/12/489883612.db2.gz UKDUVNYWEBSTNS-OAHLLOKOSA-N -1 3 364.383 0.332 10 0 FCAEHM COCC[C@@H](COC)NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000461263399 489900263 /nfs/dbraw/zinc/90/02/63/489900263.db2.gz LXCGJGBWUIGZGZ-VIFPVBQESA-N -1 3 370.880 0.848 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 ZINC000461316983 489902128 /nfs/dbraw/zinc/90/21/28/489902128.db2.gz NJOOGYKNRDOYSO-UHFFFAOYSA-N -1 3 359.321 0.169 10 0 FCAEHM C[C@H]1CN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)CCC1=O ZINC000433861689 489902852 /nfs/dbraw/zinc/90/28/52/489902852.db2.gz DUAIOWMNELZVSN-VIFPVBQESA-N -1 3 364.420 0.797 10 0 FCAEHM CN1CCN(CCCNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000377454588 489907198 /nfs/dbraw/zinc/90/71/98/489907198.db2.gz RFUAFZQEUBLDJD-QGZVFWFLSA-N -1 3 374.485 0.751 10 0 FCAEHM CN(C)c1nc(C(=O)N(C)c2ccc(N3CCOCC3)nc2)cc(=O)[n-]1 ZINC000434255069 489919082 /nfs/dbraw/zinc/91/90/82/489919082.db2.gz SXMIJBVYJLRVDU-UHFFFAOYSA-N -1 3 358.402 0.756 10 0 FCAEHM COCCN1CC[C@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000377579565 489925294 /nfs/dbraw/zinc/92/52/94/489925294.db2.gz DYMFLBKUWCOXPQ-HOCLYGCPSA-N -1 3 361.442 0.834 10 0 FCAEHM COC(=O)[C@@H](C[C@H]1CCCc2ccccc21)NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000461743981 489932817 /nfs/dbraw/zinc/93/28/17/489932817.db2.gz BFYUYKFHXMRKEM-VHDGCEQUSA-N -1 3 373.409 0.753 10 0 FCAEHM CC(=O)Nc1cccc(NC(=O)[C@@H](C)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000434798571 489957819 /nfs/dbraw/zinc/95/78/19/489957819.db2.gz JIUUGUHFCPGCBX-ZMZPIMSZSA-N -1 3 373.413 0.646 10 0 FCAEHM COCCOCc1ccc(C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000462326683 489969033 /nfs/dbraw/zinc/96/90/33/489969033.db2.gz TWJLYZMCSOMHAX-SFHVURJKSA-N -1 3 361.398 0.664 10 0 FCAEHM CNC(=O)[C@@H](C)CN(C)C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000477599143 489975433 /nfs/dbraw/zinc/97/54/33/489975433.db2.gz DXZBPILTZSGWTF-LBPRGKRZSA-N -1 3 371.441 0.913 10 0 FCAEHM CS(=O)(=O)NCCNC(=O)Cc1ccc(Br)cc1[O-] ZINC000477623066 489978090 /nfs/dbraw/zinc/97/80/90/489978090.db2.gz BBUYBSABDQGOEI-UHFFFAOYSA-N -1 3 351.222 0.363 10 0 FCAEHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-][C@@H]1CCN(C2CCOCC2)C1=O ZINC000420663899 490005428 /nfs/dbraw/zinc/00/54/28/490005428.db2.gz DRZNEDMOABZTCK-LSDHHAIUSA-N -1 3 362.492 0.747 10 0 FCAEHM Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)NN1CC(=O)[N-]C1=O)CC2 ZINC000378101552 490010118 /nfs/dbraw/zinc/01/01/18/490010118.db2.gz JCSDLAISAABYSB-SSDOTTSWSA-N -1 3 357.292 0.492 10 0 FCAEHM CN(C)c1nc(C(=O)N2CCN(C(=O)c3ccccc3O)CC2)cc(=O)[n-]1 ZINC000436721100 490011061 /nfs/dbraw/zinc/01/10/61/490011061.db2.gz GHRGUXIVGDQOHS-UHFFFAOYSA-N -1 3 371.397 0.552 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC000378113718 490011829 /nfs/dbraw/zinc/01/18/29/490011829.db2.gz JSCOQEMXBCZMEM-JQWIXIFHSA-N -1 3 366.418 0.889 10 0 FCAEHM COC(=O)[C@H](NC(=O)CCNC(=O)c1ccc(C)cc1[O-])c1ccn(C)n1 ZINC000436840115 490015338 /nfs/dbraw/zinc/01/53/38/490015338.db2.gz WBBINBLUJVXJDD-MRXNPFEDSA-N -1 3 374.397 0.585 10 0 FCAEHM COC(=O)[C@H](O)C(C)(C)[N-]S(=O)(=O)C[C@H](Cc1ccccc1)OC ZINC000420738449 490016210 /nfs/dbraw/zinc/01/62/10/490016210.db2.gz ZGFZWRUSEDYHFF-KBPBESRZSA-N -1 3 359.444 0.476 10 0 FCAEHM NC(=O)[C@@H]1CCC[C@H](NC(=O)NCC[N-]S(=O)(=O)c2cccs2)C1 ZINC000437448826 490023144 /nfs/dbraw/zinc/02/31/44/490023144.db2.gz HFPYVWDRCMULGX-MNOVXSKESA-N -1 3 374.488 0.370 10 0 FCAEHM C[C@H](O)[C@@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)c1ccccc1F ZINC000564220930 491295067 /nfs/dbraw/zinc/29/50/67/491295067.db2.gz CIAVNKWFWMMMAJ-ZUZCIYMTSA-N -1 3 370.406 0.076 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000378401512 490059580 /nfs/dbraw/zinc/05/95/80/490059580.db2.gz KLHQCNIBEROANS-ZJUUUORDSA-N -1 3 372.303 0.678 10 0 FCAEHM NC(=O)CCNC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000465132811 490085052 /nfs/dbraw/zinc/08/50/52/490085052.db2.gz GNCAPFJMOURWIY-UHFFFAOYSA-N -1 3 357.413 0.425 10 0 FCAEHM CC(=O)N[C@H]1CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000421952753 490119512 /nfs/dbraw/zinc/11/95/12/490119512.db2.gz RYMDUVHZRRDJOH-JQWIXIFHSA-N -1 3 357.407 0.230 10 0 FCAEHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)c1 ZINC000506700789 490131763 /nfs/dbraw/zinc/13/17/63/490131763.db2.gz WZIGGFCKZKAISO-FZMZJTMJSA-N -1 3 369.443 0.798 10 0 FCAEHM CN1CC[C@H](NC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)[C@@H]1c1ccccc1 ZINC000545434388 490135175 /nfs/dbraw/zinc/13/51/75/490135175.db2.gz MESFMBANARVCID-KKUMJFAQSA-N -1 3 357.414 0.377 10 0 FCAEHM C[C@H](NC(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000545435623 490135583 /nfs/dbraw/zinc/13/55/83/490135583.db2.gz SRPGRXZKEQERAF-TZQJONAQSA-N -1 3 358.398 0.885 10 0 FCAEHM C[C@H](NC(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1)c1ccccc1-n1cccn1 ZINC000545435854 490135650 /nfs/dbraw/zinc/13/56/50/490135650.db2.gz UXJDBUUPMVXALE-WFASDCNBSA-N -1 3 368.397 0.879 10 0 FCAEHM O=C(N[C@H](c1ccccc1)[C@@H]1CCOC1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000545434807 490135846 /nfs/dbraw/zinc/13/58/46/490135846.db2.gz QAQBKKWYEBOSMV-QLFBSQMISA-N -1 3 358.398 0.710 10 0 FCAEHM CC1(C)CN(S(=O)(=O)[N-][C@@H](c2nc[nH]n2)c2ccccc2)CCO1 ZINC000445711420 490142711 /nfs/dbraw/zinc/14/27/11/490142711.db2.gz HICVRJIBIQEUQI-CYBMUJFWSA-N -1 3 351.432 0.839 10 0 FCAEHM C[C@@]1(c2cccc(C(=O)N3CCCC[C@@H]3CC(N)=O)c2)NC(=O)[N-]C1=O ZINC000497327791 490146729 /nfs/dbraw/zinc/14/67/29/490146729.db2.gz UIYSSLBQVLWGFQ-ACJLOTCBSA-N -1 3 358.398 0.611 10 0 FCAEHM COCCCS(=O)(=O)[N-]Cc1nc(-c2ccc(CC(N)=O)cc2)no1 ZINC000545772216 490154342 /nfs/dbraw/zinc/15/43/42/490154342.db2.gz YJXGTDHYFFOWFO-UHFFFAOYSA-N -1 3 368.415 0.220 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@]2(O)CCN(C)C2)c(Cl)c1 ZINC000545865791 490159500 /nfs/dbraw/zinc/15/95/00/490159500.db2.gz XLMQSKOUARWGAZ-AWEZNQCLSA-N -1 3 362.835 0.472 10 0 FCAEHM O=C(c1ccc([O-])cc1)N1CCN(C[C@@H](O)COC[C@@H]2CCCO2)CC1 ZINC000533035753 490162068 /nfs/dbraw/zinc/16/20/68/490162068.db2.gz ZVFBJYSNESGJNC-MSOLQXFVSA-N -1 3 364.442 0.707 10 0 FCAEHM C[C@]1(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2[O-])CCC(=O)NC1 ZINC000545992656 490173037 /nfs/dbraw/zinc/17/30/37/490173037.db2.gz ZDNMSTXRLCOKBP-INIZCTEOSA-N -1 3 367.427 0.787 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@](C)(c2noc(C)n2)C2CC2)cn1 ZINC000497616783 490183773 /nfs/dbraw/zinc/18/37/73/490183773.db2.gz LCJMFHODRFMYDV-OAHLLOKOSA-N -1 3 365.415 0.736 10 0 FCAEHM COC[C@H](NC(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1)c1ccc(F)cc1 ZINC000546142877 490196365 /nfs/dbraw/zinc/19/63/65/490196365.db2.gz PSDXXQMVBJWUQV-STQMWFEESA-N -1 3 350.350 0.459 10 0 FCAEHM COc1ccc(Cl)cc1CNC(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000546144160 490196383 /nfs/dbraw/zinc/19/63/83/490196383.db2.gz VYWIBJKLFFGNSB-LLVKDONJSA-N -1 3 352.778 0.794 10 0 FCAEHM C[C@@H]1CC(C)(C)C[C@@](CO)(NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)C1 ZINC000546215157 490208828 /nfs/dbraw/zinc/20/88/28/490208828.db2.gz NXSQPBSZHFGRID-WBMJQRKESA-N -1 3 372.491 0.392 10 0 FCAEHM CCCCS(=O)(=O)[N-]Cc1nc(-c2ccnc(S(C)(=O)=O)c2)no1 ZINC000546388802 490214024 /nfs/dbraw/zinc/21/40/24/490214024.db2.gz GGCVCCXDVMEOFV-UHFFFAOYSA-N -1 3 374.444 0.755 10 0 FCAEHM O=C(c1ccccc1)N(Cc1noc(CN2CC(=O)[N-]C2=O)n1)C1CC1 ZINC000546436178 490215632 /nfs/dbraw/zinc/21/56/32/490215632.db2.gz MBAPUVSUQGBZTD-UHFFFAOYSA-N -1 3 355.354 0.926 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)c(C)o1 ZINC000408052792 490230724 /nfs/dbraw/zinc/23/07/24/490230724.db2.gz RFJYYIUWFVLHKO-YUTCNCBUSA-N -1 3 372.443 0.498 10 0 FCAEHM CCOC(=O)C[C@@H](NC(=O)CN1CC(=O)[N-]C1=O)c1cccc(OC)c1 ZINC000521166233 490232026 /nfs/dbraw/zinc/23/20/26/490232026.db2.gz MXTHFLNLFXSYGX-CYBMUJFWSA-N -1 3 363.370 0.358 10 0 FCAEHM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000482962298 490266953 /nfs/dbraw/zinc/26/69/53/490266953.db2.gz OZFZZWKCFMMBIE-CQSZACIVSA-N -1 3 370.409 0.303 10 0 FCAEHM COC[C@@](C)(CCO)NC(=O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000482995448 490267722 /nfs/dbraw/zinc/26/77/22/490267722.db2.gz YJEHCHQGGJJQEE-OAHLLOKOSA-N -1 3 362.423 0.398 10 0 FCAEHM CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000447756411 490268137 /nfs/dbraw/zinc/26/81/37/490268137.db2.gz WGGWNIQZUHYRLK-ACJLOTCBSA-N -1 3 373.413 0.037 10 0 FCAEHM Cc1cnn(-c2ccc(S(N)(=O)=O)cc2[N-]S(=O)(=O)N2CCC2)c1 ZINC000507980845 490283887 /nfs/dbraw/zinc/28/38/87/490283887.db2.gz VBHXCQMUBFSOQN-UHFFFAOYSA-N -1 3 371.444 0.191 10 0 FCAEHM COc1ccc2c(c1)[n-]cc(C(=O)N1CC(OCC(=O)N(C)C)C1)c2=O ZINC000483153250 490286778 /nfs/dbraw/zinc/28/67/78/490286778.db2.gz JABCUIFYIRGKJX-UHFFFAOYSA-N -1 3 359.382 0.466 10 0 FCAEHM Cn1ccc(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccncc3)cc2)n1 ZINC000498548765 490311177 /nfs/dbraw/zinc/31/11/77/490311177.db2.gz CDHBXEVDTRNYDY-UHFFFAOYSA-N -1 3 371.422 0.968 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(C(=O)NCCc2nnc3n2CCCC3)cc1 ZINC000483430134 490317704 /nfs/dbraw/zinc/31/77/04/490317704.db2.gz UYEYHOYKJMNVEH-UHFFFAOYSA-N -1 3 363.443 0.958 10 0 FCAEHM C[C@@H]1C[C@H](C)CN(S(=O)(=O)[N-][C@@H]2CCCN(c3ccnn3C)C2=O)C1 ZINC000408383570 490320853 /nfs/dbraw/zinc/32/08/53/490320853.db2.gz AIJQZJNSALPUCD-HZSPNIEDSA-N -1 3 369.491 0.728 10 0 FCAEHM CCn1nccc1N1CCC[C@H]([N-]S(=O)(=O)N2CCC(C)CC2)C1=O ZINC000408386708 490322412 /nfs/dbraw/zinc/32/24/12/490322412.db2.gz RFRPGSDIGBAWQK-AWEZNQCLSA-N -1 3 369.491 0.965 10 0 FCAEHM O=C(NCCNS(=O)(=O)c1cccnc1)c1cc(=O)c2ccccc2[n-]1 ZINC000448457777 490351466 /nfs/dbraw/zinc/35/14/66/490351466.db2.gz CFDROZWOWNAOJU-UHFFFAOYSA-N -1 3 372.406 0.631 10 0 FCAEHM CN(C)C(=O)Cn1cc(C(=O)[N-]c2cc(-c3ccccc3F)on2)nn1 ZINC000448490360 490356293 /nfs/dbraw/zinc/35/62/93/490356293.db2.gz BCNRUPLVECTCDG-UHFFFAOYSA-N -1 3 358.333 1.413 10 0 FCAEHM O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)c1cccc([O-])c1 ZINC000508786060 490360715 /nfs/dbraw/zinc/36/07/15/490360715.db2.gz QPGJLBKBLYBMLH-UHFFFAOYSA-N -1 3 353.378 0.894 10 0 FCAEHM CC(=O)NC[C@H](CC(=O)Nc1[n-]nnc1C(=O)NC1CC1)CC(C)C ZINC000411108823 490389231 /nfs/dbraw/zinc/38/92/31/490389231.db2.gz KIFHVXFJJAUFHY-NSHDSACASA-N -1 3 350.423 0.824 10 0 FCAEHM CC(=O)NC[C@H](CC(=O)Nc1nn[n-]c1C(=O)NC1CC1)CC(C)C ZINC000411108823 490389238 /nfs/dbraw/zinc/38/92/38/490389238.db2.gz KIFHVXFJJAUFHY-NSHDSACASA-N -1 3 350.423 0.824 10 0 FCAEHM CC(=O)NC[C@H](CC(=O)Nc1n[n-]nc1C(=O)NC1CC1)CC(C)C ZINC000411108823 490389244 /nfs/dbraw/zinc/38/92/44/490389244.db2.gz KIFHVXFJJAUFHY-NSHDSACASA-N -1 3 350.423 0.824 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2c(C(=O)N3C[C@@H](O)C4(CC4)C3)cc(C3CC3)nc21 ZINC000547981074 490401316 /nfs/dbraw/zinc/40/13/16/490401316.db2.gz RVHILZAHIBUJTL-GFCCVEGCSA-N -1 3 356.382 0.508 10 0 FCAEHM COC(=O)c1nscc1S(=O)(=O)[N-]C[C@H](C)N1CCCCC1=O ZINC000509230851 490405803 /nfs/dbraw/zinc/40/58/03/490405803.db2.gz BTMAOIWQTFSAOC-VIFPVBQESA-N -1 3 361.445 0.609 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1cccc(C(=O)NCc2ccccn2)c1 ZINC000522936612 490421407 /nfs/dbraw/zinc/42/14/07/490421407.db2.gz SYPBYMKNDUIJLW-UHFFFAOYSA-N -1 3 367.365 0.502 10 0 FCAEHM CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)C[C@@H]1NC(=O)[N-]C1=O)O[C@@H](C)C2 ZINC000535006572 490435670 /nfs/dbraw/zinc/43/56/70/490435670.db2.gz HJCKXHAFLLJUKX-RETIQXCHSA-N -1 3 373.409 0.979 10 0 FCAEHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C(=O)OC)c2ccn(C)n2)c1 ZINC000468796748 490448878 /nfs/dbraw/zinc/44/88/78/490448878.db2.gz COTHPWZOAJFGEA-LLVKDONJSA-N -1 3 373.412 0.461 10 0 FCAEHM CO[C@@H]1C[C@@H](CC(=O)[O-])N(C[C@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000571767543 491327812 /nfs/dbraw/zinc/32/78/12/491327812.db2.gz AFLARECVGVYGRK-SGMGOOAPSA-N -1 3 353.371 0.719 10 0 FCAEHM C[C@H]1OCC[C@@H]1N(CCO)C(=O)C(=O)[N-]c1nccn1-c1ccccc1 ZINC000411497496 490472589 /nfs/dbraw/zinc/47/25/89/490472589.db2.gz OGBAAIOOEVXHEC-HIFRSBDPSA-N -1 3 358.398 0.809 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NC[C@H](CO)c1cccnc1 ZINC000571793436 491329692 /nfs/dbraw/zinc/32/96/92/491329692.db2.gz QSSNVXSYLMXLLZ-WCQYABFASA-N -1 3 369.468 0.702 10 0 FCAEHM CCCCS(=O)(=O)NCC(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000535598231 490506806 /nfs/dbraw/zinc/50/68/06/490506806.db2.gz OQTHYLZBOYPHOX-UHFFFAOYSA-N -1 3 352.420 0.449 10 0 FCAEHM CCCCS(=O)(=O)NCC(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000535598231 490506813 /nfs/dbraw/zinc/50/68/13/490506813.db2.gz OQTHYLZBOYPHOX-UHFFFAOYSA-N -1 3 352.420 0.449 10 0 FCAEHM O=C(CNC(=O)c1ccc([O-])cc1)N[C@H]1CCCN(c2ncccn2)C1 ZINC000524169788 490522728 /nfs/dbraw/zinc/52/27/28/490522728.db2.gz FIYDMWMJUXGRGF-AWEZNQCLSA-N -1 3 355.398 0.697 10 0 FCAEHM COCCN1CCC[C@@H]1C[N-]S(=O)(=O)c1cccnc1C(=O)OC ZINC000451167939 490524067 /nfs/dbraw/zinc/52/40/67/490524067.db2.gz YCWGZJKLVPVEEV-GFCCVEGCSA-N -1 3 357.432 0.257 10 0 FCAEHM CN(Cc1cnccn1)C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000524226635 490526511 /nfs/dbraw/zinc/52/65/11/490526511.db2.gz NQSUDRZSLAFRIL-UHFFFAOYSA-N -1 3 354.164 0.160 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)NCc2ccc3ccccc3n2)cn1C ZINC000510893284 490547554 /nfs/dbraw/zinc/54/75/54/490547554.db2.gz AMSJPYHPRCAHEB-UHFFFAOYSA-N -1 3 373.438 0.871 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1cccc(C(=O)Nc2ccncc2)c1 ZINC000536074593 490552051 /nfs/dbraw/zinc/55/20/51/490552051.db2.gz CXKRPRRGGJMPFW-ZDUSSCGKSA-N -1 3 353.338 0.292 10 0 FCAEHM O=C(c1cnn(-c2cccc(Cl)c2)c1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000485842105 490563870 /nfs/dbraw/zinc/56/38/70/490563870.db2.gz IJYLFMLFDCJYSB-CYBMUJFWSA-N -1 3 359.773 0.902 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1cnn(-c2cnc3ccccc3n2)c1 ZINC000536295833 490567099 /nfs/dbraw/zinc/56/70/99/490567099.db2.gz XCHIFWKGXATLSC-UHFFFAOYSA-N -1 3 351.326 0.306 10 0 FCAEHM CCOC(=O)C[C@H](C)C[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000536327126 490567941 /nfs/dbraw/zinc/56/79/41/490567941.db2.gz APCRFPGHDYQEJB-NSHDSACASA-N -1 3 363.457 0.958 10 0 FCAEHM CN(C)c1nc(C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)cc(=O)[n-]1 ZINC000549239891 490570768 /nfs/dbraw/zinc/57/07/68/490570768.db2.gz JPQTXYSJKOBXFV-LLVKDONJSA-N -1 3 361.377 0.461 10 0 FCAEHM CN(C)c1nc(C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)cc(=O)[n-]1 ZINC000549239892 490571088 /nfs/dbraw/zinc/57/10/88/490571088.db2.gz JPQTXYSJKOBXFV-NSHDSACASA-N -1 3 361.377 0.461 10 0 FCAEHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)NC3(CO)CC3)c2)n1 ZINC000501047971 490574289 /nfs/dbraw/zinc/57/42/89/490574289.db2.gz FWXBPLJEGPXNMX-UHFFFAOYSA-N -1 3 356.382 0.991 10 0 FCAEHM C[C@@](O)(CO)CNC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000549426228 490582519 /nfs/dbraw/zinc/58/25/19/490582519.db2.gz CIEBKPZXBUZPSN-AWEZNQCLSA-N -1 3 355.188 0.764 10 0 FCAEHM CC(C)n1cnc(S(=O)(=O)[N-]C[C@H]2CCCCN2S(C)(=O)=O)c1 ZINC000511364615 490586152 /nfs/dbraw/zinc/58/61/52/490586152.db2.gz URWFNLQSGYEQJM-GFCCVEGCSA-N -1 3 364.493 0.556 10 0 FCAEHM Cc1cnn(Cc2cc(C(=O)N3CCC[C@@H]3c3nc(=N)n(C)[n-]3)no2)c1 ZINC000549724881 490596459 /nfs/dbraw/zinc/59/64/59/490596459.db2.gz PYIXXGRLGAMAJD-CYBMUJFWSA-N -1 3 356.390 0.746 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCc1ccc(NC(=O)c2cccnc2)cc1 ZINC000486208698 490598080 /nfs/dbraw/zinc/59/80/80/490598080.db2.gz VWVOZDKJZWFHNQ-AWEZNQCLSA-N -1 3 367.365 0.548 10 0 FCAEHM CS(=O)(=O)CCCS(=O)(=O)[N-][C@@H]1CCCN(c2ccccc2)C1=O ZINC000525387282 490601138 /nfs/dbraw/zinc/60/11/38/490601138.db2.gz CUGDKDWABXOMIU-CQSZACIVSA-N -1 3 374.484 0.536 10 0 FCAEHM Cc1ncc(S(=O)(=O)[N-]C[C@H]2CCCCN2S(C)(=O)=O)s1 ZINC000556827894 491339745 /nfs/dbraw/zinc/33/97/45/491339745.db2.gz SLZNQWSMCBYTJQ-SNVBAGLBSA-N -1 3 353.491 0.544 10 0 FCAEHM CC(=O)N1CC[C@H](CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000556930318 491344119 /nfs/dbraw/zinc/34/41/19/491344119.db2.gz NGCSGMBOZSRHRN-GDBMZVCRSA-N -1 3 359.426 0.981 10 0 FCAEHM CS(=O)(=O)[N-]c1cc(C(=O)NC2CCC(C(N)=O)CC2)ccc1F ZINC000512392206 490679841 /nfs/dbraw/zinc/67/98/41/490679841.db2.gz JQWPJDKIDYGKJJ-UHFFFAOYSA-N -1 3 357.407 0.971 10 0 FCAEHM C[C@H](CNC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)N1CCCCC1=O ZINC000527007929 490691531 /nfs/dbraw/zinc/69/15/31/490691531.db2.gz WUBFGVDMOJLPGF-CWTRNNRKSA-N -1 3 372.425 0.872 10 0 FCAEHM CCOC(=O)[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000487333251 490704725 /nfs/dbraw/zinc/70/47/25/490704725.db2.gz FVIAFRGZOIWOQV-QWRGUYRKSA-N -1 3 360.407 0.869 10 0 FCAEHM COc1ccc([C@H](C)NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)cc1F ZINC000502471821 490705581 /nfs/dbraw/zinc/70/55/81/490705581.db2.gz ZDTQYRACGBUOKW-JTQLQIEISA-N -1 3 370.406 0.724 10 0 FCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000487372976 490709589 /nfs/dbraw/zinc/70/95/89/490709589.db2.gz HNIUEBJQWGLKLP-NWDGAFQWSA-N -1 3 374.463 0.274 10 0 FCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000487380878 490710069 /nfs/dbraw/zinc/71/00/69/490710069.db2.gz STHVIIDEHWFXIF-RKDXNWHRSA-N -1 3 363.823 0.470 10 0 FCAEHM CCOC(=O)[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1c(C)cccc1F ZINC000487385657 490710275 /nfs/dbraw/zinc/71/02/75/490710275.db2.gz CUYXVLHNWHCCSQ-QWRGUYRKSA-N -1 3 360.407 0.869 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)NCc1noc(C2CC2)n1 ZINC000487529876 490717260 /nfs/dbraw/zinc/71/72/60/490717260.db2.gz ABBPSJRPLUBWDE-UHFFFAOYSA-N -1 3 356.429 0.993 10 0 FCAEHM Cn1ccnc1CN1CCC[C@H](NC(=O)c2cccc3nn[n-]c32)C1=O ZINC000527364370 490719567 /nfs/dbraw/zinc/71/95/67/490719567.db2.gz FUHLIIPROGXEBJ-ZDUSSCGKSA-N -1 3 353.386 0.612 10 0 FCAEHM Cn1ccnc1CN1CCC[C@H](NC(=O)c2cccc3[n-]nnc32)C1=O ZINC000527364370 490719569 /nfs/dbraw/zinc/71/95/69/490719569.db2.gz FUHLIIPROGXEBJ-ZDUSSCGKSA-N -1 3 353.386 0.612 10 0 FCAEHM Cn1ccnc1CN1CCC[C@H](NC(=O)c2cccc3n[n-]nc32)C1=O ZINC000527364370 490719571 /nfs/dbraw/zinc/71/95/71/490719571.db2.gz FUHLIIPROGXEBJ-ZDUSSCGKSA-N -1 3 353.386 0.612 10 0 FCAEHM O=C(NCC1CCN(c2ccccc2)CC1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000527458831 490726794 /nfs/dbraw/zinc/72/67/94/490726794.db2.gz GRWGUHPCVOCWPU-INIZCTEOSA-N -1 3 371.441 0.849 10 0 FCAEHM O=C(CNC(=O)c1ccccn1)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000538822239 490751089 /nfs/dbraw/zinc/75/10/89/490751089.db2.gz IQEIQTUGXIDHOJ-AWEZNQCLSA-N -1 3 367.365 0.201 10 0 FCAEHM Cn1c(=O)[nH]cc(C(=O)NCc2ccc([O-])c(Br)c2)c1=O ZINC000488679784 490772134 /nfs/dbraw/zinc/77/21/34/490772134.db2.gz YCYREKDZDZJKHQ-UHFFFAOYSA-N -1 3 354.160 0.884 10 0 FCAEHM Cc1cc(F)cc2c1[n-]cc(C(=O)N1CCC[C@H]1CS(N)(=O)=O)c2=O ZINC000514663293 490779917 /nfs/dbraw/zinc/77/99/17/490779917.db2.gz SWRRTUNCVHSCOR-NSHDSACASA-N -1 3 367.402 0.869 10 0 FCAEHM CC(C)n1cnc(S(=O)(=O)[N-]C[C@]2(CO)COCC3(CCC3)N2C)c1 ZINC000528480988 490801940 /nfs/dbraw/zinc/80/19/40/490801940.db2.gz IXRFHCMVCAWIPN-INIZCTEOSA-N -1 3 372.491 0.358 10 0 FCAEHM CCn1cc(S(=O)(=O)[N-]C[C@@]2(CO)COCC3(CCC3)N2C)nc1C ZINC000528482373 490802724 /nfs/dbraw/zinc/80/27/24/490802724.db2.gz XRVXSZVDTJPTRX-MRXNPFEDSA-N -1 3 372.491 0.106 10 0 FCAEHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]C[C@H](O)[C@@H]2CCCO2)s1 ZINC000528494851 490803776 /nfs/dbraw/zinc/80/37/76/490803776.db2.gz XWJMFVQGJXAEAK-USWWRNFRSA-N -1 3 362.473 0.763 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC2COC2)c(OC)c1 ZINC000528564673 490809674 /nfs/dbraw/zinc/80/96/74/490809674.db2.gz NJXKQJKUIOTWLJ-UHFFFAOYSA-N -1 3 364.445 0.382 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000515507778 490829794 /nfs/dbraw/zinc/82/97/94/490829794.db2.gz VOXIWPHWUXQQCG-BETUJISGSA-N -1 3 374.484 0.232 10 0 FCAEHM CCn1ncc(CNC(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C)c2)n1 ZINC000529092305 490840430 /nfs/dbraw/zinc/84/04/30/490840430.db2.gz KCPQLCRQAIDFRW-UHFFFAOYSA-N -1 3 356.383 0.667 10 0 FCAEHM Cc1ccc(-c2nn(C)cc2C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)o1 ZINC000529211032 490845988 /nfs/dbraw/zinc/84/59/88/490845988.db2.gz LAOGCZYMVUXCSI-QGZVFWFLSA-N -1 3 357.370 0.803 10 0 FCAEHM CC(C)[C@@H]1CN(C(=O)CN2CC(=O)[N-]C2=O)CCN1Cc1ccccc1 ZINC000529803900 490877551 /nfs/dbraw/zinc/87/75/51/490877551.db2.gz MHBGGEHEAQUBSM-INIZCTEOSA-N -1 3 358.442 0.907 10 0 FCAEHM CCn1nc(C)cc1NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000530125725 490889923 /nfs/dbraw/zinc/88/99/23/490889923.db2.gz CMTNZFDICXXRPQ-UHFFFAOYSA-N -1 3 356.180 0.875 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)NCCCn2ccnn2)s1 ZINC000542305418 490892491 /nfs/dbraw/zinc/89/24/91/490892491.db2.gz YKWIUETVHZDXKQ-UHFFFAOYSA-N -1 3 358.449 0.137 10 0 FCAEHM C[C@@H](CNC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)N1CCCCC1=O ZINC000530296108 490898061 /nfs/dbraw/zinc/89/80/61/490898061.db2.gz RPECACALEFONIB-BUXKBTBVSA-N -1 3 372.425 0.872 10 0 FCAEHM C[C@@H](CNC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)N1CCCCC1=O ZINC000530296110 490898250 /nfs/dbraw/zinc/89/82/50/490898250.db2.gz RPECACALEFONIB-HXPMCKFVSA-N -1 3 372.425 0.872 10 0 FCAEHM CCn1nccc1CN(CCO)C(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000530303207 490898710 /nfs/dbraw/zinc/89/87/10/490898710.db2.gz FBNFWSLDLSAXDX-UHFFFAOYSA-N -1 3 372.472 0.264 10 0 FCAEHM Cc1nnsc1C[N-]S(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000517211634 490899103 /nfs/dbraw/zinc/89/91/03/490899103.db2.gz DGOXEKSCGYDIJA-UHFFFAOYSA-N -1 3 359.454 0.655 10 0 FCAEHM Cn1ccnc1CN1CCC[C@@H]([N-]S(=O)(=O)C[C@@H]2CCCO2)C1=O ZINC000517257469 490901962 /nfs/dbraw/zinc/90/19/62/490901962.db2.gz QNLWJLWEDZTWFY-QWHCGFSZSA-N -1 3 356.448 0.010 10 0 FCAEHM CCc1cc(C[N-]S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)on1 ZINC000530375124 490902217 /nfs/dbraw/zinc/90/22/17/490902217.db2.gz OXLJHIBTCJTNPB-UHFFFAOYSA-N -1 3 365.477 0.328 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C[C@@H](O)COCC(C)C ZINC000517263508 490902285 /nfs/dbraw/zinc/90/22/85/490902285.db2.gz NYUZAZKLMOUHAY-GFCCVEGCSA-N -1 3 363.432 0.995 10 0 FCAEHM COc1nc(NC(=O)[C@H](CSC)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)n[n-]1 ZINC000542774557 490908298 /nfs/dbraw/zinc/90/82/98/490908298.db2.gz FDFZODIXCPIWKB-GUBZILKMSA-N -1 3 367.431 0.659 10 0 FCAEHM COc1nnc(NC(=O)[C@H](CSC)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)[n-]1 ZINC000542774557 490908302 /nfs/dbraw/zinc/90/83/02/490908302.db2.gz FDFZODIXCPIWKB-GUBZILKMSA-N -1 3 367.431 0.659 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@H](CSC)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)n1 ZINC000542774557 490908303 /nfs/dbraw/zinc/90/83/03/490908303.db2.gz FDFZODIXCPIWKB-GUBZILKMSA-N -1 3 367.431 0.659 10 0 FCAEHM COc1nc(NC(=O)[C@H](CSC)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)n[n-]1 ZINC000542774556 490908574 /nfs/dbraw/zinc/90/85/74/490908574.db2.gz FDFZODIXCPIWKB-BBBLOLIVSA-N -1 3 367.431 0.659 10 0 FCAEHM COc1nnc(NC(=O)[C@H](CSC)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)[n-]1 ZINC000542774556 490908576 /nfs/dbraw/zinc/90/85/76/490908576.db2.gz FDFZODIXCPIWKB-BBBLOLIVSA-N -1 3 367.431 0.659 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@H](CSC)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)n1 ZINC000542774556 490908578 /nfs/dbraw/zinc/90/85/78/490908578.db2.gz FDFZODIXCPIWKB-BBBLOLIVSA-N -1 3 367.431 0.659 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000517490988 490910238 /nfs/dbraw/zinc/91/02/38/490910238.db2.gz BZQPRXZSWLHNGB-IWIIMEHWSA-N -1 3 361.370 0.187 10 0 FCAEHM COc1ncc(CS(=O)(=O)c2n[n-]c(=O)n2C[C@H]2CCCO2)c(C)n1 ZINC000543080575 490921304 /nfs/dbraw/zinc/92/13/04/490921304.db2.gz BUAJGMWIGUIVPY-LLVKDONJSA-N -1 3 369.403 0.244 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@@H](CCOC)COC)s1 ZINC000517791435 490921520 /nfs/dbraw/zinc/92/15/20/490921520.db2.gz AMJHKSLCTHWBAX-JTQLQIEISA-N -1 3 365.477 0.507 10 0 FCAEHM Cn1ccnc1CN1CCC[C@@H](NC(=O)c2ccc3n[n-]nc3c2)C1=O ZINC000543104478 490922379 /nfs/dbraw/zinc/92/23/79/490922379.db2.gz AOZIMRCEBMLXLC-CYBMUJFWSA-N -1 3 353.386 0.612 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)Nc1ncn(C2CCCCC2)n1 ZINC000544243573 490962798 /nfs/dbraw/zinc/96/27/98/490962798.db2.gz MUTUFMVSYFFFNF-UHFFFAOYSA-N -1 3 359.452 0.678 10 0 FCAEHM COC(=O)c1ccc(OC)c(S(=O)(=O)[N-][C@H]2CNCCC2(F)F)c1 ZINC000519154273 490963601 /nfs/dbraw/zinc/96/36/01/490963601.db2.gz CSMDIVLPBFBTDN-LBPRGKRZSA-N -1 3 364.370 0.757 10 0 FCAEHM COC(=O)[C@@H](CNC(=O)c1cn(C)c(=O)[n-]c1=O)Cc1cccc(F)c1 ZINC000519278690 490967603 /nfs/dbraw/zinc/96/76/03/490967603.db2.gz UGEBABSUUMNNDB-LLVKDONJSA-N -1 3 363.345 0.387 10 0 FCAEHM O=C(NCc1ncccc1[O-])NC[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000572397521 491367428 /nfs/dbraw/zinc/36/74/28/491367428.db2.gz AZZDJFDXJWXCFF-LLVKDONJSA-N -1 3 363.395 0.821 10 0 FCAEHM CC(=O)Nc1cccc(NC(=O)CN2CCC[C@H]2c2nc(=N)n(C)[n-]2)c1 ZINC000519652273 490982471 /nfs/dbraw/zinc/98/24/71/490982471.db2.gz JZKSEOHKUUGJTO-AWEZNQCLSA-N -1 3 357.418 0.962 10 0 FCAEHM O=C(NCc1nc2ccccc2n1C1CC1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000544818099 490982717 /nfs/dbraw/zinc/98/27/17/490982717.db2.gz SNERFKSWUFYSAN-AWEZNQCLSA-N -1 3 368.397 0.817 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(CNS(C)(=O)=O)cc1)C1CC1 ZINC000519706589 490985626 /nfs/dbraw/zinc/98/56/26/490985626.db2.gz LJCAMBSLCIZZFI-AWEZNQCLSA-N -1 3 362.473 0.903 10 0 FCAEHM NC(=O)[C@H]1CCC[C@H](NC(=O)CC[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000532237940 490989656 /nfs/dbraw/zinc/98/96/56/490989656.db2.gz BSGZFCNSDREXHF-RYUDHWBXSA-N -1 3 371.434 0.654 10 0 FCAEHM Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000562417740 491164879 /nfs/dbraw/zinc/16/48/79/491164879.db2.gz UUMCHMJHJORNTG-OAHLLOKOSA-N -1 3 369.447 0.444 10 0 FCAEHM COCC[C@@H](COC)[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000569512001 491165570 /nfs/dbraw/zinc/16/55/70/491165570.db2.gz DBXXMKSQNKMBMG-NSHDSACASA-N -1 3 350.462 0.714 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)c1cc2c([nH]1)CCOC2 ZINC000562654913 491178541 /nfs/dbraw/zinc/17/85/41/491178541.db2.gz GCJIQXXMMJUIAH-UHFFFAOYSA-N -1 3 355.441 0.857 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)N1CC[C@@](O)(C(F)F)C1 ZINC000562667066 491179535 /nfs/dbraw/zinc/17/95/35/491179535.db2.gz KTBYKZNDXJNVJX-LBPRGKRZSA-N -1 3 369.415 0.438 10 0 FCAEHM C[C@H](NC(=O)CNC(=O)c1ccccn1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673507867 493337281 /nfs/dbraw/zinc/33/72/81/493337281.db2.gz CYRITQPENPQEED-RYUDHWBXSA-N -1 3 371.397 0.692 10 0 FCAEHM COC(=O)c1ccccc1CC1CCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)CC1 ZINC000557482277 491376889 /nfs/dbraw/zinc/37/68/89/491376889.db2.gz AKQPSEKQTTYICB-HNNXBMFYSA-N -1 3 373.409 0.852 10 0 FCAEHM COc1cc(C(=O)NC[C@@H]2CCCCN2S(C)(=O)=O)cc(OC)c1[O-] ZINC000557684873 491390957 /nfs/dbraw/zinc/39/09/57/491390957.db2.gz LFNIBRLHMXKAFM-LBPRGKRZSA-N -1 3 372.443 0.953 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]Cc2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000572829160 491395759 /nfs/dbraw/zinc/39/57/59/491395759.db2.gz XPVKXWSJCBARHX-UHFFFAOYSA-N -1 3 372.472 0.632 10 0 FCAEHM Cn1c(=O)ccc2ccc(NC(=O)N3CCN4C(=O)[N-]C(=O)[C@@H]4C3)cc21 ZINC000572910497 491401492 /nfs/dbraw/zinc/40/14/92/491401492.db2.gz IODGRJDITRQEIR-ZDUSSCGKSA-N -1 3 355.354 0.306 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]c1ccc([C@]2(C)NC(=O)NC2=O)cc1)C1CC1 ZINC000566211677 491426325 /nfs/dbraw/zinc/42/63/25/491426325.db2.gz PUDJDWCVNVLMIE-BBRMVZONSA-N -1 3 367.427 0.908 10 0 FCAEHM Cc1ncc(NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)c(C2CC2)n1 ZINC000558393389 491428588 /nfs/dbraw/zinc/42/85/88/491428588.db2.gz NIUBEOCZFUUJFZ-UHFFFAOYSA-N -1 3 350.404 0.313 10 0 FCAEHM COc1ccc([N-]S(=O)(=O)C[C@H](OC)C2CC2)cc1S(N)(=O)=O ZINC000573368799 491429630 /nfs/dbraw/zinc/42/96/30/491429630.db2.gz VLVCXWFCHDVKBB-LBPRGKRZSA-N -1 3 364.445 0.509 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]CC(=O)Nc1cccnc1 ZINC000558430464 491430284 /nfs/dbraw/zinc/43/02/84/491430284.db2.gz MQOFITWOZDUYOV-UHFFFAOYSA-N -1 3 367.383 0.995 10 0 FCAEHM C[C@@H](OCC(=O)NCC[N-]S(=O)(=O)c1cccs1)c1nccn1C ZINC000573632029 491445205 /nfs/dbraw/zinc/44/52/05/491445205.db2.gz OVCSCUFTLZKTQR-LLVKDONJSA-N -1 3 372.472 0.654 10 0 FCAEHM CN(C)c1nc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)cc(=O)[n-]1 ZINC000558961064 491449964 /nfs/dbraw/zinc/44/99/64/491449964.db2.gz COMQFJSYEPXQNX-ZDUSSCGKSA-N -1 3 355.398 0.779 10 0 FCAEHM CC(=O)N(CCc1ccccc1)CC(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1 ZINC000559256630 491458589 /nfs/dbraw/zinc/45/85/89/491458589.db2.gz DUHCOSVRHCZIFX-MRXNPFEDSA-N -1 3 370.457 0.982 10 0 FCAEHM Cc1ccc(CCC(=O)NCC(=O)N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)cc1 ZINC000559258740 491458969 /nfs/dbraw/zinc/45/89/69/491458969.db2.gz WWSBZKOVJXQFHM-OAHLLOKOSA-N -1 3 370.457 0.949 10 0 FCAEHM Cn1ccc(NC(=O)C[N-]S(=O)(=O)c2cnccc2C(F)(F)F)n1 ZINC000574311571 491488477 /nfs/dbraw/zinc/48/84/77/491488477.db2.gz YYCQKGBDOOLELQ-UHFFFAOYSA-N -1 3 363.321 0.751 10 0 FCAEHM NC(=O)[C@@H]1CC[C@@H](CNC(=O)Cc2ccc(Br)cc2[O-])O1 ZINC000560286416 491527998 /nfs/dbraw/zinc/52/79/98/491527998.db2.gz LENBZBYMNUBGMP-JQWIXIFHSA-N -1 3 357.204 0.846 10 0 FCAEHM CS(=O)(=O)c1ccccc1-n1cc([N-]S(=O)(=O)N2CCC2)cn1 ZINC000560438378 491539690 /nfs/dbraw/zinc/53/96/90/491539690.db2.gz QJINLRXVVGUTRE-UHFFFAOYSA-N -1 3 356.429 0.638 10 0 FCAEHM COc1ccc(NC(=O)Cn2cc([N-]S(=O)(=O)N3CCC3)cn2)cc1 ZINC000560439103 491539799 /nfs/dbraw/zinc/53/97/99/491539799.db2.gz NAFQZCHPAVXCDF-UHFFFAOYSA-N -1 3 365.415 0.893 10 0 FCAEHM CO[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccccc2S(=O)(=O)[N-]C2CC2)C1 ZINC000560473531 491541259 /nfs/dbraw/zinc/54/12/59/491541259.db2.gz ZQIKIDKDDOPZCV-BETUJISGSA-N -1 3 374.484 0.925 10 0 FCAEHM COC(=O)[C@@H]1CSCCN(C(=O)CNC(=O)c2ccc([O-])cc2)C1 ZINC000575230242 491546792 /nfs/dbraw/zinc/54/67/92/491546792.db2.gz JLEMWZYJAQAVHW-LBPRGKRZSA-N -1 3 352.412 0.487 10 0 FCAEHM CCC[C@H](C)[C@@H](CO)NS(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000568033303 491549273 /nfs/dbraw/zinc/54/92/73/491549273.db2.gz ICCXBCOLXCAVIJ-JOYOIKCWSA-N -1 3 370.431 0.110 10 0 FCAEHM CC(C)OCCS(=O)(=O)[N-]CC(=O)Nc1cnc(CC2CC2)nc1 ZINC000560767487 491556131 /nfs/dbraw/zinc/55/61/31/491556131.db2.gz GJTGZYPFXDSCRU-UHFFFAOYSA-N -1 3 356.448 0.712 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)Cn2c3ccccc3n(C)c2=O)nc1=N ZINC000568327316 491569702 /nfs/dbraw/zinc/56/97/02/491569702.db2.gz VMORWWPDEAUYMN-ZDUSSCGKSA-N -1 3 355.402 0.245 10 0 FCAEHM Cc1nc2ccccc2c(=O)n1CC(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1 ZINC000568401499 491574629 /nfs/dbraw/zinc/57/46/29/491574629.db2.gz SJWNDODSQINHDA-CQSZACIVSA-N -1 3 367.413 0.610 10 0 FCAEHM O=S(=O)([N-]C[C@@H]1CCCS1(=O)=O)c1cccnc1C(F)(F)F ZINC000561537425 491615332 /nfs/dbraw/zinc/61/53/32/491615332.db2.gz BSKQHEVFFQNMCH-QMMMGPOBSA-N -1 3 358.363 0.956 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)c2ccc(NS(C)(=O)=O)cc2)nc1=N ZINC000577380360 491617086 /nfs/dbraw/zinc/61/70/86/491617086.db2.gz XRKRGCDNKJLUPP-GFCCVEGCSA-N -1 3 364.431 0.576 10 0 FCAEHM CC[C@@H](CS(=O)(=O)[N-]C[C@H]1CS(=O)(=O)c2ccccc2O1)OC ZINC000569099734 491633548 /nfs/dbraw/zinc/63/35/48/491633548.db2.gz OEUJFJZJMJWSON-RYUDHWBXSA-N -1 3 363.457 0.566 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N1CCO[C@H](C(=O)C2CC2)C1 ZINC000577653820 491640646 /nfs/dbraw/zinc/64/06/46/491640646.db2.gz SQZKCPCUAKKCFC-HNNXBMFYSA-N -1 3 371.393 0.699 10 0 FCAEHM C[C@@H]1CCN[C@H](C(=O)N[C@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)C1 ZINC000577855195 491657311 /nfs/dbraw/zinc/65/73/11/491657311.db2.gz IVWOPRQQRKOSNO-OEAJRASXSA-N -1 3 359.426 0.918 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCCOCC1CCC1 ZINC000562280560 491664203 /nfs/dbraw/zinc/66/42/03/491664203.db2.gz AEXBOKPSINORTO-UHFFFAOYSA-N -1 3 360.208 0.644 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1cn2c(n1)CCC2 ZINC000578533743 491679333 /nfs/dbraw/zinc/67/93/33/491679333.db2.gz ANNFNYNPFJQWIS-UHFFFAOYSA-N -1 3 370.381 0.816 10 0 FCAEHM Cc1cc(CS(=O)(=O)[N-]C[C@H]2CS(=O)(=O)c3ccccc3O2)no1 ZINC000578985118 491688324 /nfs/dbraw/zinc/68/83/24/491688324.db2.gz RHRWMXQJIHUUCR-LBPRGKRZSA-N -1 3 372.424 0.637 10 0 FCAEHM CCN([C@H]1CCOC1)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1CC1 ZINC000579064492 491690195 /nfs/dbraw/zinc/69/01/95/491690195.db2.gz KNEOMORCLOOJNV-ZDUSSCGKSA-N -1 3 374.484 0.927 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C[C@H]1CCCN(C(N)=O)C1 ZINC000579888266 491708212 /nfs/dbraw/zinc/70/82/12/491708212.db2.gz PPPVAUOTGTZRLJ-LLVKDONJSA-N -1 3 373.431 0.752 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCn3c(cc4ccccc43)C2)c1 ZINC000580141682 491719267 /nfs/dbraw/zinc/71/92/67/491719267.db2.gz VWXVQADVTPYRLD-UHFFFAOYSA-N -1 3 373.438 0.696 10 0 FCAEHM Cn1ccc(NC(=O)C[N-]S(=O)(=O)C[C@@H]2CCCCC2(F)F)n1 ZINC000580874594 491749767 /nfs/dbraw/zinc/74/97/67/491749767.db2.gz IIIULIHGHLDKPB-JTQLQIEISA-N -1 3 350.391 1.104 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@H](C)[C@H]1CN(C)CCO1 ZINC000589225183 491757733 /nfs/dbraw/zinc/75/77/33/491757733.db2.gz MIJGUFXQDITYCL-BXKDBHETSA-N -1 3 360.432 0.680 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000590273964 491771759 /nfs/dbraw/zinc/77/17/59/491771759.db2.gz ACECOBSRQISKJR-URLYPYJESA-N -1 3 352.412 0.868 10 0 FCAEHM C[C@@H](CO)N(C)S(=O)(=O)c1cccc(S(=O)(=O)[N-]CC(F)F)c1 ZINC000581499381 491775561 /nfs/dbraw/zinc/77/55/61/491775561.db2.gz CCVVSZNZQURDDP-VIFPVBQESA-N -1 3 372.415 0.231 10 0 FCAEHM CC(C)c1nc(S(=O)(=O)[N-]CCCN2CCCS2(=O)=O)c[nH]1 ZINC000673820995 493364455 /nfs/dbraw/zinc/36/44/55/493364455.db2.gz MUWCECJAZMJIBO-UHFFFAOYSA-N -1 3 350.466 0.237 10 0 FCAEHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H]2CCNC(=O)CC2)c1 ZINC000591332337 491802854 /nfs/dbraw/zinc/80/28/54/491802854.db2.gz GRDWHRVGEXTINP-GFCCVEGCSA-N -1 3 358.391 0.949 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2CC(=O)NCc2cc(F)cc(F)c2)nc1=N ZINC000582341815 491808188 /nfs/dbraw/zinc/80/81/88/491808188.db2.gz QGGNEJNZNPKLIS-ZDUSSCGKSA-N -1 3 350.373 0.959 10 0 FCAEHM COC(=O)[C@@H](CC(F)F)[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000592041853 491829039 /nfs/dbraw/zinc/82/90/39/491829039.db2.gz OWEILDKQYGUCID-MRVPVSSYSA-N -1 3 368.358 0.765 10 0 FCAEHM CC(C)(C)OC(=O)[C@](C)(O)C[N-]S(=O)(=O)CCOCC1CCC1 ZINC000592045674 491829267 /nfs/dbraw/zinc/82/92/67/491829267.db2.gz AIMQUWOXSCWOET-OAHLLOKOSA-N -1 3 351.465 0.815 10 0 FCAEHM CNC(=O)[C@H](CCSC)[N-]S(=O)(=O)C[C@@H](OC)C1CCOCC1 ZINC000592051889 491829683 /nfs/dbraw/zinc/82/96/83/491829683.db2.gz CVYYCZMGMYMHLP-QWHCGFSZSA-N -1 3 368.521 0.215 10 0 FCAEHM COC(=O)[C@H](CC(C)(C)C)[N-]S(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000592074856 491830223 /nfs/dbraw/zinc/83/02/23/491830223.db2.gz FWWHCTBTQGRTOP-NSHDSACASA-N -1 3 372.509 0.165 10 0 FCAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CCCc1ncn(C)n1 ZINC000592069174 491830240 /nfs/dbraw/zinc/83/02/40/491830240.db2.gz MSWRQLZXDOUJPE-SECBINFHSA-N -1 3 372.369 0.551 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-]CC(C)(C)[C@@]2(O)CCOC2)c(C)o1 ZINC000592087081 491831192 /nfs/dbraw/zinc/83/11/92/491831192.db2.gz MFPOYZCZCBIBID-OAHLLOKOSA-N -1 3 361.416 0.831 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)Nc1cc(C)n([C@H](C)C2CC2)n1 ZINC000583776980 491851904 /nfs/dbraw/zinc/85/19/04/491851904.db2.gz DBMWBZZIKLLPHP-GFCCVEGCSA-N -1 3 358.464 1.057 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)Nc1cc(C)n([C@@H](C)C2CC2)n1 ZINC000583776981 491851934 /nfs/dbraw/zinc/85/19/34/491851934.db2.gz DBMWBZZIKLLPHP-LBPRGKRZSA-N -1 3 358.464 1.057 10 0 FCAEHM CC(C)OC[C@@H](O)Cn1cc(I)c(=O)[n-]c1=O ZINC000584005402 491856600 /nfs/dbraw/zinc/85/66/00/491856600.db2.gz SLCCXRRGTHOUEC-ZETCQYMHSA-N -1 3 354.144 0.339 10 0 FCAEHM COC(=O)c1csc(S(=O)(=O)[N-][C@H]2CC[C@@H](C)S(=O)(=O)C2)c1 ZINC000594848960 491866670 /nfs/dbraw/zinc/86/66/70/491866670.db2.gz HHUSCTZJXNPVIH-SCZZXKLOSA-N -1 3 367.470 0.779 10 0 FCAEHM COCCCn1c(=O)[n-]nc1S[C@H]1CCCN(CCC(=O)OC)C1=O ZINC000594881239 491870709 /nfs/dbraw/zinc/87/07/09/491870709.db2.gz VDVAYZINDJLFKB-NSHDSACASA-N -1 3 372.447 0.666 10 0 FCAEHM O=C(c1c(C(F)(F)F)nc2n1CCCC2)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000611955872 491885277 /nfs/dbraw/zinc/88/52/77/491885277.db2.gz LXIYDJIUTPEOHG-QMMMGPOBSA-N -1 3 371.319 0.614 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000600931667 491888853 /nfs/dbraw/zinc/88/88/53/491888853.db2.gz HVUYVRCDIGAOQV-UHFFFAOYSA-N -1 3 358.398 0.093 10 0 FCAEHM Cc1ccc([C@H](CN2CCOCC2)NC(=O)CN2CC(=O)[N-]C2=O)cc1 ZINC000600938124 491889351 /nfs/dbraw/zinc/88/93/51/491889351.db2.gz BQJYLOGGHKNYGH-HNNXBMFYSA-N -1 3 360.414 0.036 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-][C@H](Cc2ccccc2)C(=O)N(C)C)CC1 ZINC000601343013 491906299 /nfs/dbraw/zinc/90/62/99/491906299.db2.gz JDVAEJYVGUIZIU-CQSZACIVSA-N -1 3 368.455 0.559 10 0 FCAEHM CCC1CCC([N-]S(=O)(=O)C[C@H]2CN(C)CCO2)(C(=O)OC)CC1 ZINC000601367324 491909389 /nfs/dbraw/zinc/90/93/89/491909389.db2.gz PUCLNYWBYZUCPN-NPCAHTBFSA-N -1 3 362.492 0.748 10 0 FCAEHM COC(=O)C[C@@]1([N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)CCOC1 ZINC000601394969 491912732 /nfs/dbraw/zinc/91/27/32/491912732.db2.gz ZUCXBHYQRYYYSZ-NSHDSACASA-N -1 3 371.337 0.439 10 0 FCAEHM CCc1nc(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2C(=O)OC)cn1CC1CC1 ZINC000595345858 491922872 /nfs/dbraw/zinc/92/28/72/491922872.db2.gz ZZLRRKVRKZIAKC-RISCZKNCSA-N -1 3 357.432 0.464 10 0 FCAEHM CCOC(=O)c1cn[n-]c1S(=O)(=O)N1CCO[C@@H](C)[C@H]1C(F)(F)F ZINC000595401561 491928526 /nfs/dbraw/zinc/92/85/26/491928526.db2.gz KTVWZHCOYSXBLY-CBAPKCEASA-N -1 3 371.337 0.927 10 0 FCAEHM CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CCO[C@@H](C)[C@H]1C(F)(F)F ZINC000595401561 491928529 /nfs/dbraw/zinc/92/85/29/491928529.db2.gz KTVWZHCOYSXBLY-CBAPKCEASA-N -1 3 371.337 0.927 10 0 FCAEHM CC(=O)c1ccc(C(=O)Nc2nc(C)n(C)c2C(=O)NCCO)cc1[O-] ZINC000613982288 492007748 /nfs/dbraw/zinc/00/77/48/492007748.db2.gz NDBPDDTXLAWPSN-UHFFFAOYSA-N -1 3 360.370 0.611 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(C(=O)[C@@H](OC)[C@H]3CCOC3)CC2)n[n-]1 ZINC000597573610 492048360 /nfs/dbraw/zinc/04/83/60/492048360.db2.gz GKESGCARYJFPBQ-STQMWFEESA-N -1 3 366.418 0.739 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(C(=O)[C@@H](OC)[C@H]3CCOC3)CC2)[n-]1 ZINC000597573610 492048361 /nfs/dbraw/zinc/04/83/61/492048361.db2.gz GKESGCARYJFPBQ-STQMWFEESA-N -1 3 366.418 0.739 10 0 FCAEHM C[C@]1(C[C@@H]2CCCN2C(=O)CN2C(=O)Cc3ccccc32)NC(=O)[N-]C1=O ZINC000614729999 492050691 /nfs/dbraw/zinc/05/06/91/492050691.db2.gz SKLWRFNJYYMLHZ-ORAYPTAESA-N -1 3 370.409 0.555 10 0 FCAEHM COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)CC[C@H]1NC(=O)[N-]C1=O ZINC000604546727 492063491 /nfs/dbraw/zinc/06/34/91/492063491.db2.gz QMLDJFYGOKVHJA-TZMCWYRMSA-N -1 3 361.398 0.813 10 0 FCAEHM COCCCN(CCc1ccc(OC)cc1)C(=O)CN1CC(=O)[N-]C1=O ZINC000604605643 492064738 /nfs/dbraw/zinc/06/47/38/492064738.db2.gz RWHXRKMTVMFCDC-UHFFFAOYSA-N -1 3 363.414 0.655 10 0 FCAEHM COc1ccc([C@H]2[C@@H](C(=O)[N-]c3nnc4[nH]cnn34)CC(=O)N2C)cc1 ZINC000614990909 492067904 /nfs/dbraw/zinc/06/79/04/492067904.db2.gz JFINAUIIIPRQDM-AAEUAGOBSA-N -1 3 355.358 0.619 10 0 FCAEHM CN1CCC[C@@H]1[C@H]1COCCN1C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000615266243 492082470 /nfs/dbraw/zinc/08/24/70/492082470.db2.gz RZYLELLBSQYYGC-CHWSQXEVSA-N -1 3 359.386 0.371 10 0 FCAEHM CCC[C@@H](C(=O)OCC)n1ccc(NC(=O)CC[C@H]2NC(=O)[N-]C2=O)n1 ZINC000598111451 492083630 /nfs/dbraw/zinc/08/36/30/492083630.db2.gz HQQQCNPQKBRLTK-MNOVXSKESA-N -1 3 365.390 0.714 10 0 FCAEHM CC(C)(C)OC(=O)CCC1CCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)CC1 ZINC000598143851 492085506 /nfs/dbraw/zinc/08/55/06/492085506.db2.gz GFDNWTXPYMAHFQ-LBPRGKRZSA-N -1 3 353.419 0.945 10 0 FCAEHM COC(=O)[C@@H]1CCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2N)[C@H]2CCCC[C@H]12 ZINC000598166908 492087023 /nfs/dbraw/zinc/08/70/23/492087023.db2.gz IZZUZICXHAXILN-BBBLOLIVSA-N -1 3 350.375 0.664 10 0 FCAEHM CC(C)(C)OC(=O)Cn1ccc(NC(=O)CNC(=O)c2cccc([O-])c2)n1 ZINC000598545778 492104510 /nfs/dbraw/zinc/10/45/10/492104510.db2.gz LLBRLUUHHPXORS-UHFFFAOYSA-N -1 3 374.397 1.299 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC[C@H]2c2cn[nH]c2)cn1C ZINC000615903149 492106515 /nfs/dbraw/zinc/10/65/15/492106515.db2.gz KVVSHPSOAMKONY-LBPRGKRZSA-N -1 3 352.420 0.094 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)Cn2c(=O)cnc3ccccc32)[n-]1 ZINC000615919044 492107009 /nfs/dbraw/zinc/10/70/09/492107009.db2.gz PVWXYBVIRAGSSO-UHFFFAOYSA-N -1 3 356.342 0.008 10 0 FCAEHM C[C@@H]1CCN(Cc2cc(=O)n3nc(N)[n-]c3n2)C[C@@H]1C(=O)OC(C)(C)C ZINC000598624953 492109833 /nfs/dbraw/zinc/10/98/33/492109833.db2.gz MLRDUBBUEAONFR-PWSUYJOCSA-N -1 3 362.434 0.630 10 0 FCAEHM NS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000615947863 492111332 /nfs/dbraw/zinc/11/13/32/492111332.db2.gz BZYPKSLAGUKZRG-LLVKDONJSA-N -1 3 364.427 0.316 10 0 FCAEHM CN(CC(=O)NCc1ccc([O-])c2ncccc12)[C@@H]1CCS(=O)(=O)C1 ZINC000616024174 492114966 /nfs/dbraw/zinc/11/49/66/492114966.db2.gz ZHPAMJAQFORFDC-CYBMUJFWSA-N -1 3 363.439 0.676 10 0 FCAEHM CCc1cc(=O)[n-]c(-c2ccc(NCCC(=O)NCCC(=O)OC)nc2)n1 ZINC000599168931 492139036 /nfs/dbraw/zinc/13/90/36/492139036.db2.gz CQUNTZLWGJHODD-UHFFFAOYSA-N -1 3 373.413 1.288 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@H]2CC(=O)N(C(C)(C)C)C2)on1 ZINC000599246696 492148353 /nfs/dbraw/zinc/14/83/53/492148353.db2.gz KXTPIPCUSWMKGD-JTQLQIEISA-N -1 3 373.431 0.670 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@H]2C[C@H](C)N(C3CC3)C2)on1 ZINC000599258498 492150216 /nfs/dbraw/zinc/15/02/16/492150216.db2.gz HDLCBJUAJNOBSA-QWRGUYRKSA-N -1 3 357.432 0.896 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@H]2c3ccccc3C[C@@H]2O)on1 ZINC000599265887 492151469 /nfs/dbraw/zinc/15/14/69/492151469.db2.gz ZUCLGNRAPZYEQP-GJZGRUSLSA-N -1 3 366.395 0.929 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H]2c3ccccc3C[C@@H]2O)on1 ZINC000599265890 492151691 /nfs/dbraw/zinc/15/16/91/492151691.db2.gz ZUCLGNRAPZYEQP-LSDHHAIUSA-N -1 3 366.395 0.929 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H]2C[C@H](OCC)[C@H]2OC)on1 ZINC000599280002 492153862 /nfs/dbraw/zinc/15/38/62/492153862.db2.gz SMOOJEAZILYUMP-WXHSDQCUSA-N -1 3 362.404 0.463 10 0 FCAEHM CCc1cnc(N2CCN(C(=O)CC[C@@H]3NC(=O)[N-]C3=O)CC2)s1 ZINC000607938744 492154319 /nfs/dbraw/zinc/15/43/19/492154319.db2.gz SDLIHWCSFLPUPI-NSHDSACASA-N -1 3 351.432 0.342 10 0 FCAEHM CCO[C@@H](CS(=O)(=O)[N-]C[C@@](C)(O)C(=O)OC(C)(C)C)C1CC1 ZINC000599282295 492154374 /nfs/dbraw/zinc/15/43/74/492154374.db2.gz ZNRXDFHAJSRQEB-SWLSCSKDSA-N -1 3 351.465 0.814 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)OC)on1 ZINC000599320253 492160101 /nfs/dbraw/zinc/16/01/01/492160101.db2.gz ODRLVSVOGKVDIH-MNOVXSKESA-N -1 3 360.388 0.612 10 0 FCAEHM COC[C@@H](CCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1)OC ZINC000617231042 492160272 /nfs/dbraw/zinc/16/02/72/492160272.db2.gz DWZYBNJPFDLSHJ-GHMZBOCLSA-N -1 3 350.462 0.583 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H](CO)[C@@H]2CCCOC2)on1 ZINC000599328343 492161055 /nfs/dbraw/zinc/16/10/55/492161055.db2.gz XSCGDLORJWNSTL-MFKMUULPSA-N -1 3 362.404 0.058 10 0 FCAEHM COC(=O)[C@@](C)(CCF)[N-]S(=O)(=O)c1cnnn1-c1ccccc1 ZINC000599347485 492163074 /nfs/dbraw/zinc/16/30/74/492163074.db2.gz SCGDPHZWCLMFFS-CQSZACIVSA-N -1 3 356.379 0.837 10 0 FCAEHM Cc1cc(F)ccc1C[C@@H](C)NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000617321859 492164114 /nfs/dbraw/zinc/16/41/14/492164114.db2.gz KITTVGASSBHWGI-GFCCVEGCSA-N -1 3 368.434 0.893 10 0 FCAEHM C[C@H]1C[C@@H]([N-]S(=O)(=O)N2CCC[C@@H](C)C2)C(=O)N1c1cnn(C)c1 ZINC000608049564 492164374 /nfs/dbraw/zinc/16/43/74/492164374.db2.gz AAVYWIQSKIQSCO-MBNYWOFBSA-N -1 3 355.464 0.480 10 0 FCAEHM COc1cc(C(=O)N[C@@H]2CCCN(C)C2)cc([N-]S(C)(=O)=O)c1OC ZINC000608126916 492166143 /nfs/dbraw/zinc/16/61/43/492166143.db2.gz GAKWCTJBXYITKZ-GFCCVEGCSA-N -1 3 371.459 0.899 10 0 FCAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C[C@H](O)[C@@H]1CCCO1 ZINC000599391743 492167225 /nfs/dbraw/zinc/16/72/25/492167225.db2.gz LCMIPRTTZRYUTP-LPEHRKFASA-N -1 3 363.354 0.330 10 0 FCAEHM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](O)[C@H]2CCCO2)c(F)c1 ZINC000599392379 492167286 /nfs/dbraw/zinc/16/72/86/492167286.db2.gz SEMHBZANAPQNTG-CHWSQXEVSA-N -1 3 361.391 0.821 10 0 FCAEHM C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)CC[N-]S(=O)(=O)c2cccs2)CC1=O ZINC000608219911 492168571 /nfs/dbraw/zinc/16/85/71/492168571.db2.gz YNMPOVPYGILPNB-GRYCIOLGSA-N -1 3 371.484 0.542 10 0 FCAEHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]C[C@H]1COCCN1C ZINC000599453192 492174454 /nfs/dbraw/zinc/17/44/54/492174454.db2.gz MFFHHVARELRNJP-JTQLQIEISA-N -1 3 362.835 0.736 10 0 FCAEHM COC(=O)[C@H](C[C@H]1CCCOC1)[N-]S(=O)(=O)N1CCC(OC)CC1 ZINC000599455416 492175079 /nfs/dbraw/zinc/17/50/79/492175079.db2.gz CQAXRRGLXFGCDH-OCCSQVGLSA-N -1 3 364.464 0.290 10 0 FCAEHM COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1Cc1cc([O-])ccc1Cl ZINC000599490710 492179762 /nfs/dbraw/zinc/17/97/62/492179762.db2.gz MUHNYPVHYQUDKM-GWCFXTLKSA-N -1 3 367.789 0.713 10 0 FCAEHM CO[C@]1(CO)CCCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)C1 ZINC000617795204 492192197 /nfs/dbraw/zinc/19/21/97/492192197.db2.gz UPNHWJOTTNDHBS-SMDDNHRTSA-N -1 3 362.473 0.415 10 0 FCAEHM CCOC(=O)c1cnc(N2CCN(C(=O)c3cc(=O)[n-]cn3)CC2)s1 ZINC000599606318 492193040 /nfs/dbraw/zinc/19/30/40/492193040.db2.gz VTRCXCORFWOXQI-UHFFFAOYSA-N -1 3 363.399 0.778 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N1CC[C@H](O)C(F)(F)C1 ZINC000617817656 492193842 /nfs/dbraw/zinc/19/38/42/492193842.db2.gz SDMMXRQABCQIDS-LBPRGKRZSA-N -1 3 353.325 0.721 10 0 FCAEHM COCCCS(=O)(=O)[N-]CC(=O)Nc1ccc2c(c1)CCN(C)C2=O ZINC000618087704 492210717 /nfs/dbraw/zinc/21/07/17/492210717.db2.gz ITTAAVRCARZTCR-UHFFFAOYSA-N -1 3 369.443 0.209 10 0 FCAEHM C[C@@]1(c2cccc(C(=O)NCCO[C@@H]3CC3(F)F)c2)NC(=O)[N-]C1=O ZINC000618131635 492211287 /nfs/dbraw/zinc/21/12/87/492211287.db2.gz ISJCMLUUTFIBAK-ABAIWWIYSA-N -1 3 353.325 0.895 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCO[C@@H]1CC1(F)F ZINC000618126707 492211543 /nfs/dbraw/zinc/21/15/43/492211543.db2.gz UKLNLOBUUILCAB-RKDXNWHRSA-N -1 3 354.400 0.955 10 0 FCAEHM C[C@H]1CN(C(=O)CC[N-]S(=O)(=O)c2ccccc2F)C[C@H](C)C1O ZINC000618258881 492219067 /nfs/dbraw/zinc/21/90/67/492219067.db2.gz XAPIHUVVSFATIS-RYUDHWBXSA-N -1 3 358.435 0.969 10 0 FCAEHM C[C@@H]1CN(C(=O)CC[N-]S(=O)(=O)c2ccccc2F)C[C@@H](C)C1O ZINC000618258882 492219163 /nfs/dbraw/zinc/21/91/63/492219163.db2.gz XAPIHUVVSFATIS-VXGBXAGGSA-N -1 3 358.435 0.969 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@@H](C)S(=O)(=O)C2)c(C)o1 ZINC000618322656 492223871 /nfs/dbraw/zinc/22/38/71/492223871.db2.gz ZLXDHNTUBYFUNO-PSASIEDQSA-N -1 3 364.445 0.192 10 0 FCAEHM Cc1ccc2[n-]cc(C(=O)N3CCN(S(C)(=O)=O)[C@H](C)C3)c(=O)c2c1 ZINC000618676307 492234581 /nfs/dbraw/zinc/23/45/81/492234581.db2.gz POAQJWKHXNJMIP-GFCCVEGCSA-N -1 3 363.439 0.942 10 0 FCAEHM CCOC(=O)C1(O)CCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)CC1 ZINC000610113488 492234978 /nfs/dbraw/zinc/23/49/78/492234978.db2.gz YVPZFGWLIFCNPO-UHFFFAOYSA-N -1 3 370.427 0.588 10 0 FCAEHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N1CC[C@@](OC)(C(=O)OC)C1 ZINC000600042708 492236488 /nfs/dbraw/zinc/23/64/88/492236488.db2.gz WWRLRQQZYLWUIB-HNNXBMFYSA-N -1 3 370.383 0.264 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(C(=O)Nc3ccn(C4CCOCC4)n3)cnc21 ZINC000618902949 492242720 /nfs/dbraw/zinc/24/27/20/492242720.db2.gz ZDTLVPUBDJTZIP-UHFFFAOYSA-N -1 3 370.369 0.834 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)NC[C@@H]1CCC(=O)N1 ZINC000619142317 492251172 /nfs/dbraw/zinc/25/11/72/492251172.db2.gz MUGATTPHFVOXHW-ZETCQYMHSA-N -1 3 351.837 0.075 10 0 FCAEHM COc1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@H](OC)CS3(=O)=O)cc(OC)c1[O-] ZINC000619223637 492254486 /nfs/dbraw/zinc/25/44/86/492254486.db2.gz QZHCXVLZGVKCOF-GDLCADMTSA-N -1 3 371.411 0.293 10 0 FCAEHM COC(=O)[C@@]1(OC)CCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)C1 ZINC000600285186 492256223 /nfs/dbraw/zinc/25/62/23/492256223.db2.gz IYWTUEMLJBXRSW-OAHLLOKOSA-N -1 3 356.400 0.462 10 0 FCAEHM C[C@@H]1COC2(CCCC2)CN1C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000619928445 492282818 /nfs/dbraw/zinc/28/28/18/492282818.db2.gz WQBMHKFBVFARHG-GFCCVEGCSA-N -1 3 356.448 0.259 10 0 FCAEHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000611511300 492289290 /nfs/dbraw/zinc/28/92/90/492289290.db2.gz SEEDEECYBDTHES-MXWKQRLJSA-N -1 3 370.427 0.916 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)N1CC[C@@H]2COC[C@H]2C1 ZINC000620156461 492295923 /nfs/dbraw/zinc/29/59/23/492295923.db2.gz JXYFWVWDIJNBNX-CHWSQXEVSA-N -1 3 356.419 0.989 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CC[C@@H]2COC[C@H]2C1 ZINC000620144991 492296311 /nfs/dbraw/zinc/29/63/11/492296311.db2.gz PAUUERRBQAILQJ-YNEHKIRRSA-N -1 3 356.419 0.987 10 0 FCAEHM CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)CC1 ZINC000647501288 492298536 /nfs/dbraw/zinc/29/85/36/492298536.db2.gz QTSSOQCGSPJKHC-UHFFFAOYSA-N -1 3 360.414 0.444 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](C(=O)NC(C)C)C2)c(C)o1 ZINC000620402683 492307036 /nfs/dbraw/zinc/30/70/36/492307036.db2.gz FDPKZVAKSXSIFD-GFCCVEGCSA-N -1 3 371.459 0.873 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CCc2nccnc2C1 ZINC000620425912 492308876 /nfs/dbraw/zinc/30/88/76/492308876.db2.gz WRKKNHZGMWIJQI-UHFFFAOYSA-N -1 3 352.441 0.791 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCc2nccnc2C1 ZINC000620424290 492308956 /nfs/dbraw/zinc/30/89/56/492308956.db2.gz YWWIIHFNFMZHFO-JTQLQIEISA-N -1 3 352.441 0.790 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000634029978 492314814 /nfs/dbraw/zinc/31/48/14/492314814.db2.gz RCYAXUSSRIEJAO-URBCHYCLSA-N -1 3 364.199 0.802 10 0 FCAEHM CO[C@@H]1CN(C(=O)CC[N-]S(=O)(=O)c2cccs2)[C@](C)(CO)C1 ZINC000634060528 492316754 /nfs/dbraw/zinc/31/67/54/492316754.db2.gz PFORZFRONMJNAV-FZMZJTMJSA-N -1 3 362.473 0.415 10 0 FCAEHM CO[C@H]1CN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)[C@](C)(CO)C1 ZINC000634057943 492317029 /nfs/dbraw/zinc/31/70/29/492317029.db2.gz BUULQAVFHBPNEH-OZVIIMIRSA-N -1 3 374.434 0.491 10 0 FCAEHM CO[C@@H]1CN(C(=O)CC[N-]S(=O)(=O)c2cccs2)[C@@](C)(CO)C1 ZINC000634060532 492317135 /nfs/dbraw/zinc/31/71/35/492317135.db2.gz PFORZFRONMJNAV-SMDDNHRTSA-N -1 3 362.473 0.415 10 0 FCAEHM CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647581183 492323361 /nfs/dbraw/zinc/32/33/61/492323361.db2.gz ROWLEJYABMPDND-ARFHVFGLSA-N -1 3 361.442 0.645 10 0 FCAEHM C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)N(C)Cc1ccccc1 ZINC000647583868 492324563 /nfs/dbraw/zinc/32/45/63/492324563.db2.gz IQVUGIVASPGFGN-CWRNSKLLSA-N -1 3 361.442 0.993 10 0 FCAEHM Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000647606552 492333793 /nfs/dbraw/zinc/33/37/93/492333793.db2.gz BQHYENTYMQJQDV-GFCCVEGCSA-N -1 3 369.443 0.434 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-][C@@H]2CS(=O)(=O)Cc3ccccc32)cn1C ZINC000621307344 492372982 /nfs/dbraw/zinc/37/29/82/492372982.db2.gz SHXHVPOIZWDBLC-CYBMUJFWSA-N -1 3 355.441 0.677 10 0 FCAEHM CCn1nnc(C)c1CNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000627871199 492408601 /nfs/dbraw/zinc/40/86/01/492408601.db2.gz CYZDKPLNLNWGLX-NSHDSACASA-N -1 3 369.422 0.729 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)CS(=O)(=O)NC(C)(C)C)cc2n(C)c1=O ZINC000643039860 492415558 /nfs/dbraw/zinc/41/55/58/492415558.db2.gz LWYNQGCFGWPTAG-UHFFFAOYSA-N -1 3 370.431 0.239 10 0 FCAEHM Cn1ncnc1CCCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000627896796 492415842 /nfs/dbraw/zinc/41/58/42/492415842.db2.gz SDUPGIISCDOVAY-CQSZACIVSA-N -1 3 357.414 0.874 10 0 FCAEHM Cn1ncnc1CCCNC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000627898240 492416271 /nfs/dbraw/zinc/41/62/71/492416271.db2.gz WORFMPUCAMCJGC-KRWDZBQOSA-N -1 3 356.386 0.232 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N[C@H](C2CC2)[C@@H]2CCCCO2)c1 ZINC000655224788 492416716 /nfs/dbraw/zinc/41/67/16/492416716.db2.gz XDIAGUGJQGWANS-SWLSCSKDSA-N -1 3 356.448 0.162 10 0 FCAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H]3CCN(C)S3(=O)=O)cc2)n1 ZINC000648258903 492419416 /nfs/dbraw/zinc/41/94/16/492419416.db2.gz LDNCJDGFAGOAHU-CYBMUJFWSA-N -1 3 362.411 0.718 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NC1CC(N2CCOCC2)C1 ZINC000627929936 492421805 /nfs/dbraw/zinc/42/18/05/492421805.db2.gz JLBZNUUSKYODNH-HIFPTAJRSA-N -1 3 373.500 0.394 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NC1CC(N2CCOCC2)C1 ZINC000627929937 492421994 /nfs/dbraw/zinc/42/19/94/492421994.db2.gz JLBZNUUSKYODNH-PNESKVBLSA-N -1 3 373.500 0.394 10 0 FCAEHM CS(=O)(=O)[N-]c1cc(C(=O)NC2CC(N3CCOCC3)C2)ccc1F ZINC000627931343 492423252 /nfs/dbraw/zinc/42/32/52/492423252.db2.gz NJAHEHGKQIZSBF-UHFFFAOYSA-N -1 3 371.434 0.790 10 0 FCAEHM C[C@@]1(c2ccc(C(=O)NC3CC(N4CCOCC4)C3)cc2)NC(=O)[N-]C1=O ZINC000627935253 492423832 /nfs/dbraw/zinc/42/38/32/492423832.db2.gz PSPBVPLCZHESNO-ZOJXTTQQSA-N -1 3 372.425 0.334 10 0 FCAEHM Cn1nnc2c1CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])C2 ZINC000655303514 492432703 /nfs/dbraw/zinc/43/27/03/492432703.db2.gz SFLOJLVEAVZSID-LRDDRELGSA-N -1 3 369.425 0.799 10 0 FCAEHM CNS(=O)(=O)N1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000622018046 492440428 /nfs/dbraw/zinc/44/04/28/492440428.db2.gz VPSBNSZOEXISLR-UHFFFAOYSA-N -1 3 367.349 0.633 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)c(C)o1 ZINC000622080182 492451443 /nfs/dbraw/zinc/45/14/43/492451443.db2.gz HDNXSOQEUBUNHH-OUCADQQQSA-N -1 3 372.443 0.498 10 0 FCAEHM CNC(=O)[C@@H](CO)[N-]S(=O)(=O)Cc1cccc(Br)c1C ZINC000655553775 492456311 /nfs/dbraw/zinc/45/63/11/492456311.db2.gz GAZLHLBMWZNJJE-LLVKDONJSA-N -1 3 365.249 0.284 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCO[C@](C)(C2CC2)C1 ZINC000622136745 492457994 /nfs/dbraw/zinc/45/79/94/492457994.db2.gz QWFSBACGAJTIAV-HNNXBMFYSA-N -1 3 357.432 0.597 10 0 FCAEHM CN1CC[C@@H](C(=O)NCc2ccc([O-])c(Br)c2)S1(=O)=O ZINC000648833662 492463514 /nfs/dbraw/zinc/46/35/14/492463514.db2.gz UXEPSNGIVXLFJR-NSHDSACASA-N -1 3 363.233 0.805 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-][C@@H]2CCc3ccccc3NC2=O)C[C@H](C)O1 ZINC000655629132 492467169 /nfs/dbraw/zinc/46/71/69/492467169.db2.gz ZSTHPJHFTUTECD-TYNCELHUSA-N -1 3 353.444 0.884 10 0 FCAEHM Cn1cnc(CCCNC(=O)CC[N-]S(=O)(=O)c2cccs2)n1 ZINC000648987068 492481750 /nfs/dbraw/zinc/48/17/50/492481750.db2.gz GNYLAILDRKKIBS-UHFFFAOYSA-N -1 3 357.461 0.294 10 0 FCAEHM Cc1ccc(-n2[n-]c(C(=O)N3CN(CCN(C)C)C(=O)[C@@H]3C)cc2=O)cc1 ZINC000649074829 492490509 /nfs/dbraw/zinc/49/05/09/492490509.db2.gz QJOGNPBBQRKNAZ-AWEZNQCLSA-N -1 3 371.441 0.666 10 0 FCAEHM CC(C)[C@H](CNC(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C)C(=O)[O-] ZINC000655982612 492503499 /nfs/dbraw/zinc/50/34/99/492503499.db2.gz XGFYICZMSPAVPD-HOTGVXAUSA-N -1 3 363.458 0.749 10 0 FCAEHM CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)CNC(=O)c2cccc([O-])c2)C1 ZINC000649147101 492505181 /nfs/dbraw/zinc/50/51/81/492505181.db2.gz GHPCBZRIVFHXIS-OAHLLOKOSA-N -1 3 373.331 0.649 10 0 FCAEHM CC(C)C[C@H](CNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12)C(=O)[O-] ZINC000655997700 492509845 /nfs/dbraw/zinc/50/98/45/492509845.db2.gz IYXAXYYIOKGLHX-ILXRZTDVSA-N -1 3 353.463 0.983 10 0 FCAEHM C[C@@H]1CC[C@@H](O)CN1C(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2C ZINC000649199473 492510222 /nfs/dbraw/zinc/51/02/22/492510222.db2.gz ACTWJRAFBALDFZ-MWLCHTKSSA-N -1 3 358.398 0.897 10 0 FCAEHM CCN1CCC[C@H]1CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656012719 492516611 /nfs/dbraw/zinc/51/66/11/492516611.db2.gz HKYBZHAALGSHML-XDQVBPFNSA-N -1 3 353.463 0.839 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2c(C(=O)N[C@H]3Cc4cncn4C3)cc(C3CC3)nc21 ZINC000623276264 492537106 /nfs/dbraw/zinc/53/71/06/492537106.db2.gz YSKNHQRVSUDSHQ-JTQLQIEISA-N -1 3 366.381 0.463 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000628733205 492541643 /nfs/dbraw/zinc/54/16/43/492541643.db2.gz RPPXTSOXYWFFAC-SFHVURJKSA-N -1 3 357.366 0.565 10 0 FCAEHM COc1ncc(Br)cc1CNC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000628796266 492547991 /nfs/dbraw/zinc/54/79/91/492547991.db2.gz PHWIERTYPYESMH-QMMMGPOBSA-N -1 3 357.164 0.067 10 0 FCAEHM COc1cc2[n-]cc(C(=O)NC[C@H]3COCCN3C)c(=O)c2c(OC)c1 ZINC000628911418 492561618 /nfs/dbraw/zinc/56/16/18/492561618.db2.gz BTGUODBKHBEZOD-NSHDSACASA-N -1 3 361.398 0.606 10 0 FCAEHM COc1cc2ncc(C(=O)NC[C@H]3COCCN3C)c([O-])c2c(OC)c1 ZINC000628911418 492561621 /nfs/dbraw/zinc/56/16/21/492561621.db2.gz BTGUODBKHBEZOD-NSHDSACASA-N -1 3 361.398 0.606 10 0 FCAEHM C[C@]1(c2ccc(C(=O)N3C[C@@H]4CCC[C@]4(CO)C3)cc2)NC(=O)[N-]C1=O ZINC000629088707 492577175 /nfs/dbraw/zinc/57/71/75/492577175.db2.gz BIFXHFOZEMNQQZ-GDIGMMSISA-N -1 3 357.410 0.976 10 0 FCAEHM NS(=O)(=O)NC1CCN(C(=O)c2ccc3c(c2[O-])CCCC3)CC1 ZINC000629186231 492587399 /nfs/dbraw/zinc/58/73/99/492587399.db2.gz RQWJJVVDOXQXIP-UHFFFAOYSA-N -1 3 353.444 0.669 10 0 FCAEHM COC1(CS(=O)(=O)[N-]c2cccc(OCC(N)=O)c2)CCOCC1 ZINC000650159486 492617795 /nfs/dbraw/zinc/61/77/95/492617795.db2.gz HEPXNTQTZSPHGS-UHFFFAOYSA-N -1 3 358.416 0.488 10 0 FCAEHM C[C@]1(c2ccc(NC(=O)c3cn4c(n3)COCC4)cc2)NC(=O)[N-]C1=O ZINC000624151922 492623807 /nfs/dbraw/zinc/62/38/07/492623807.db2.gz FNGKCLRQJXSTKC-QGZVFWFLSA-N -1 3 355.354 0.720 10 0 FCAEHM CN(C)S(=O)(=O)N1CC(NC(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000629531663 492639557 /nfs/dbraw/zinc/63/95/57/492639557.db2.gz SWVNXMQPMAJYIO-UHFFFAOYSA-N -1 3 367.349 0.631 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]CC(=O)N1CCc2ccccc21)[C@H]1CCOC1 ZINC000656892733 492661158 /nfs/dbraw/zinc/66/11/58/492661158.db2.gz SORBZQURSRZUAH-HOCLYGCPSA-N -1 3 368.455 0.547 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@H](C(=O)N1CCCC1)C(C)C)[C@@H]1CCOC1 ZINC000656903744 492664125 /nfs/dbraw/zinc/66/41/25/492664125.db2.gz NQSRUVQVUFHIKI-KFWWJZLASA-N -1 3 362.492 0.604 10 0 FCAEHM CN1CCC(O)(C[N-]S(=O)(=O)c2ncccc2Br)CC1 ZINC000656915463 492668643 /nfs/dbraw/zinc/66/86/43/492668643.db2.gz SWQCOFQTFCWVKM-UHFFFAOYSA-N -1 3 364.265 0.579 10 0 FCAEHM CCc1nn(C)c(OC)c1C[N-]S(=O)(=O)C[C@@H](OC)[C@@H]1CCOC1 ZINC000656950147 492677094 /nfs/dbraw/zinc/67/70/94/492677094.db2.gz DBTKIGKSPKEFRW-BXUZGUMPSA-N -1 3 361.464 0.462 10 0 FCAEHM COCCN1CC[C@@H]([N-]S(=O)(=O)c2ncccc2Br)C1 ZINC000656964371 492680386 /nfs/dbraw/zinc/68/03/86/492680386.db2.gz DARMPLLXPVLMDA-SNVBAGLBSA-N -1 3 364.265 0.843 10 0 FCAEHM CC1(C)CN(C(=O)CCn2[n-]c(=O)c3ccccc3c2=O)[C@@H]2COC[C@H]2O1 ZINC000650939115 492686660 /nfs/dbraw/zinc/68/66/60/492686660.db2.gz VVLJAPPGQNJFRC-HUUCEWRRSA-N -1 3 373.409 0.897 10 0 FCAEHM O=C1NCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000657030571 492700361 /nfs/dbraw/zinc/70/03/61/492700361.db2.gz BNSXADLPUGQYLL-JQWIXIFHSA-N -1 3 374.846 0.922 10 0 FCAEHM CCOc1ccncc1S(=O)(=O)[N-]CCC1(CS(C)(=O)=O)CC1 ZINC000657046622 492703571 /nfs/dbraw/zinc/70/35/71/492703571.db2.gz ZQPTVWADKSYVOP-UHFFFAOYSA-N -1 3 362.473 0.974 10 0 FCAEHM C[C@@]1(c2cccc(C(=O)N[C@@H]3CCN(C4CCC4)C3=O)c2)NC(=O)[N-]C1=O ZINC000629926552 492705694 /nfs/dbraw/zinc/70/56/94/492705694.db2.gz SZRVHADDFDYFCC-KUHUBIRLSA-N -1 3 370.409 0.624 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-][C@@H]2Cc3ccccc3N(C)C2=O)C[C@@H](C)O1 ZINC000657071924 492709266 /nfs/dbraw/zinc/70/92/66/492709266.db2.gz WKEXIJGKDVGYKL-YRGRVCCFSA-N -1 3 353.444 0.518 10 0 FCAEHM Cn1ccc(N2CCC[C@@H]([N-]S(=O)(=O)[C@H]3COC(C)(C)C3)C2=O)n1 ZINC000625025305 492712002 /nfs/dbraw/zinc/71/20/02/492712002.db2.gz VJQJNAXYCMTOQA-VXGBXAGGSA-N -1 3 356.448 0.402 10 0 FCAEHM O=S(=O)(Cc1ccc(F)cc1F)[N-]C[C@]1(OCCO)CCOC1 ZINC000657087400 492714070 /nfs/dbraw/zinc/71/40/70/492714070.db2.gz SOTWSBHEGRCSLG-CQSZACIVSA-N -1 3 351.371 0.552 10 0 FCAEHM COCc1nc(C[N-]S(=O)(=O)c2ccc(Br)cn2)n[nH]1 ZINC000657104003 492721589 /nfs/dbraw/zinc/72/15/89/492721589.db2.gz MFDIGSHBHYIILX-UHFFFAOYSA-N -1 3 362.209 0.587 10 0 FCAEHM CO[C@H]1CS(=O)(=O)C[C@@H]1[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000657102022 492721914 /nfs/dbraw/zinc/72/19/14/492721914.db2.gz WIXIGKXHSDUVSC-QWRGUYRKSA-N -1 3 371.839 0.878 10 0 FCAEHM O=S(=O)([N-]C[C@@]1(CCO)CCOC1)c1cccnc1OCC(F)F ZINC000625092399 492722806 /nfs/dbraw/zinc/72/28/06/492722806.db2.gz VSUPHUAWINSUMA-CQSZACIVSA-N -1 3 366.386 0.793 10 0 FCAEHM COCc1nc(C[N-]S(=O)(=O)c2cc(OC)c(OC)cc2F)n[nH]1 ZINC000657105056 492722906 /nfs/dbraw/zinc/72/29/06/492722906.db2.gz XWURYKQYNAIFLT-UHFFFAOYSA-N -1 3 360.367 0.586 10 0 FCAEHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H]2CC[C@H](C)S(=O)(=O)C2)s1 ZINC000657138232 492730778 /nfs/dbraw/zinc/73/07/78/492730778.db2.gz VGWYIFGVKPRJAQ-CBAPKCEASA-N -1 3 367.474 0.346 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@H]2COC[C@]2(C)C1 ZINC000657167344 492735695 /nfs/dbraw/zinc/73/56/95/492735695.db2.gz NGJBMSKCBRVTRW-FZMZJTMJSA-N -1 3 360.457 0.252 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-][C@H]2C[C@@H]3CCCCN3C2=O)CCOCC1 ZINC000625249011 492745194 /nfs/dbraw/zinc/74/51/94/492745194.db2.gz DOBKYHFCZJSCQX-KBPBESRZSA-N -1 3 360.476 0.645 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-]C[C@@H](OC)[C@@H]2CCOC2)CCOCC1 ZINC000625273073 492749537 /nfs/dbraw/zinc/74/95/37/492749537.db2.gz KMWGUKQPJFRPHW-ZIAGYGMSSA-N -1 3 351.465 0.543 10 0 FCAEHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-][C@H]1CCNC1=O ZINC000625274446 492749546 /nfs/dbraw/zinc/74/95/46/492749546.db2.gz IYKCFTRSEGQIHB-ZETCQYMHSA-N -1 3 354.306 0.761 10 0 FCAEHM COCc1nc(C[N-]S(=O)(=O)c2cccnc2OCC(F)F)n[nH]1 ZINC000625274410 492750008 /nfs/dbraw/zinc/75/00/08/492750008.db2.gz DFCLTRZFSPIMPR-UHFFFAOYSA-N -1 3 363.346 0.469 10 0 FCAEHM CO[C@@H]1CS(=O)(=O)C[C@@H]1[N-]S(=O)(=O)c1ccc(C)c(F)c1F ZINC000625278010 492750692 /nfs/dbraw/zinc/75/06/92/492750692.db2.gz KDPNXQCYMWTJJF-DTWKUNHWSA-N -1 3 355.384 0.364 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]C[C@]1(CO)COCC2(CCC2)N1C)C(C)C ZINC000625376016 492768183 /nfs/dbraw/zinc/76/81/83/492768183.db2.gz KNBWFBBJDGPGQB-HOCLYGCPSA-N -1 3 364.508 0.193 10 0 FCAEHM CN1C2(CCC2)COC[C@@]1(CO)C[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1 ZINC000625378147 492768748 /nfs/dbraw/zinc/76/87/48/492768748.db2.gz FZAXJXUHTRACDR-BBRMVZONSA-N -1 3 362.492 0.089 10 0 FCAEHM CS(=O)(=O)c1cc(C(=O)NCCCNC(=O)c2cccc([O-])c2)co1 ZINC000651539037 492776964 /nfs/dbraw/zinc/77/69/64/492776964.db2.gz MVSJFBYFMNJWIG-UHFFFAOYSA-N -1 3 366.395 0.939 10 0 FCAEHM COC1(CS(=O)(=O)[N-][C@@H](C)C(=O)N2CCCC[C@@H]2C)CCOCC1 ZINC000651545356 492777718 /nfs/dbraw/zinc/77/77/18/492777718.db2.gz DSIYXIVCDSTSCG-KBPBESRZSA-N -1 3 362.492 0.891 10 0 FCAEHM Cc1ncc(S(=O)(=O)[N-][C@H]2CCN(c3ccc4nncn4n3)C2)s1 ZINC000625421497 492779025 /nfs/dbraw/zinc/77/90/25/492779025.db2.gz SXRWMSORQIFVCO-JTQLQIEISA-N -1 3 365.444 0.446 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CN2C(=O)N3C[C@@H](OC)C[C@@]3(C)C2=O)s1 ZINC000630980424 492792139 /nfs/dbraw/zinc/79/21/39/492792139.db2.gz AGXLICRXSRAONH-XPTSAGLGSA-N -1 3 373.456 0.598 10 0 FCAEHM O=C1[C@H]([N-]S(=O)(=O)N2CCCOCC2)CCCN1c1cccnc1 ZINC000651639329 492798405 /nfs/dbraw/zinc/79/84/05/492798405.db2.gz ZMUOZMFISQVCSM-CQSZACIVSA-N -1 3 354.432 0.134 10 0 FCAEHM O=S(=O)([N-]Cc1noc(-c2cccc(F)c2)n1)N1CCCOCC1 ZINC000651684300 492805804 /nfs/dbraw/zinc/80/58/04/492805804.db2.gz HZAUQLNYUYQZBF-UHFFFAOYSA-N -1 3 356.379 0.932 10 0 FCAEHM COc1ccc(Cn2[n-]nnc2=NCCN2CCN(C)C(C)(C)C2)cc1 ZINC000631265009 492807191 /nfs/dbraw/zinc/80/71/91/492807191.db2.gz SAASLMILVMOGAB-UHFFFAOYSA-N -1 3 359.478 0.590 10 0 FCAEHM C/C=C/CNS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000625559581 492820990 /nfs/dbraw/zinc/82/09/90/492820990.db2.gz ANCFYGLFZIOHEW-RGDDUWESSA-N -1 3 353.400 0.604 10 0 FCAEHM C[C@H](O)[C@@H]([N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1)c1ccccc1F ZINC000651794445 492825412 /nfs/dbraw/zinc/82/54/12/492825412.db2.gz ACWOPNXSEOJGSS-LKFCYVNXSA-N -1 3 355.391 0.664 10 0 FCAEHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1C[C@@H](C(N)=O)C1 ZINC000651838374 492830721 /nfs/dbraw/zinc/83/07/21/492830721.db2.gz PHCPWVMKCUMAMF-OTSSQURYSA-N -1 3 363.233 1.000 10 0 FCAEHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]CC[C@]2(O)CCOC2)s1 ZINC000651839048 492831365 /nfs/dbraw/zinc/83/13/65/492831365.db2.gz SLMHGBLHVRCBCK-YGRLFVJLSA-N -1 3 362.473 0.765 10 0 FCAEHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCOC[C@@H]1O ZINC000625596738 492832048 /nfs/dbraw/zinc/83/20/48/492832048.db2.gz LUEFPPQVPLRPBD-ZJUUUORDSA-N -1 3 366.233 0.886 10 0 FCAEHM CCS(=O)(=O)[N-][C@@H](CNS(=O)(=O)CC)c1c(F)cccc1F ZINC000625606505 492835988 /nfs/dbraw/zinc/83/59/88/492835988.db2.gz PCLNUROBQXBNRW-NSHDSACASA-N -1 3 356.416 0.885 10 0 FCAEHM CN(C)S(=O)(=O)N1CC([N-]S(=O)(=O)c2ccc(Cl)c(F)c2)C1 ZINC000625624722 492845659 /nfs/dbraw/zinc/84/56/59/492845659.db2.gz MKFUPZAQDGWJMI-UHFFFAOYSA-N -1 3 371.843 0.248 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC[C@]1(O)CCCOC1 ZINC000651914751 492846340 /nfs/dbraw/zinc/84/63/40/492846340.db2.gz IEWXIUUXDZFXBK-CQSZACIVSA-N -1 3 363.457 0.300 10 0 FCAEHM C[C@H](CN1CCCC1=O)[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000631777295 492851094 /nfs/dbraw/zinc/85/10/94/492851094.db2.gz DLQVOXMXGZXLSD-MRVPVSSYSA-N -1 3 354.354 0.728 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)[C@H]2CN(C)C(=O)c3ccccc32)nc1=N ZINC000651976965 492857260 /nfs/dbraw/zinc/85/72/60/492857260.db2.gz MRYMAVGYDKZCFF-UONOGXRCSA-N -1 3 354.414 0.761 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@H]2CCN(C3CCC3)C2=O)coc1C(=O)N(C)C ZINC000625692730 492862411 /nfs/dbraw/zinc/86/24/11/492862411.db2.gz SMXWZFJTWLJKBR-LBPRGKRZSA-N -1 3 369.443 0.722 10 0 FCAEHM CCN1C[C@H](S(=O)(=O)[N-]CC(=O)N2CCc3ccccc3C2)CC1=O ZINC000631881519 492869536 /nfs/dbraw/zinc/86/95/36/492869536.db2.gz BNKOSXNYACONDB-OAHLLOKOSA-N -1 3 365.455 0.112 10 0 FCAEHM O=C1[C@H]([N-]S(=O)(=O)C[C@H]2CNCCO2)CCN1c1cccc(Cl)c1 ZINC000631925609 492888086 /nfs/dbraw/zinc/88/80/86/492888086.db2.gz CEKTUIHBBBTXGC-ZIAGYGMSSA-N -1 3 373.862 0.353 10 0 FCAEHM CCN1C[C@@H](S(=O)(=O)[N-][C@H]2CCN(c3ccccc3F)C2=O)CC1=O ZINC000631953897 492897605 /nfs/dbraw/zinc/89/76/05/492897605.db2.gz VXAZVRXCXBWESR-AAEUAGOBSA-N -1 3 369.418 0.471 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@H](C)CN2CCCC2=O)coc1C(=O)N(C)C ZINC000645484715 492913550 /nfs/dbraw/zinc/91/35/50/492913550.db2.gz XHVIPZCHQJYGLH-SNVBAGLBSA-N -1 3 357.432 0.579 10 0 FCAEHM COCCN1CCC[C@@H]1C[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000645516524 492918434 /nfs/dbraw/zinc/91/84/34/492918434.db2.gz UKNJNFBOLFHCLI-CYBMUJFWSA-N -1 3 373.475 0.679 10 0 FCAEHM C[C@@H]1C[C@H]1N1C[C@@H]([N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)CC1=O ZINC000632047304 492918736 /nfs/dbraw/zinc/91/87/36/492918736.db2.gz HRCWVSURADHLSO-KHQFGBGNSA-N -1 3 366.365 0.727 10 0 FCAEHM COC1(CS(=O)(=O)[N-][C@@H]2CCN(C3CCOCC3)C2=O)CCCC1 ZINC000632063226 492921733 /nfs/dbraw/zinc/92/17/33/492921733.db2.gz YURIOODMTMZZTP-CQSZACIVSA-N -1 3 360.476 0.645 10 0 FCAEHM Cn1cc(N2CC[C@H]([N-]S(=O)(=O)CCOCC3CCC3)C2=O)cn1 ZINC000645548698 492924297 /nfs/dbraw/zinc/92/42/97/492924297.db2.gz QBARYCVRJYKZCI-AWEZNQCLSA-N -1 3 356.448 0.262 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]C[C@H](O)C2CCOCC2)coc1C(=O)N(C)C ZINC000645559741 492926040 /nfs/dbraw/zinc/92/60/40/492926040.db2.gz MWGWXOMYSDNJIF-LBPRGKRZSA-N -1 3 360.432 0.356 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]CC1(O)Cc2ccccc2C1)C1CCOCC1 ZINC000645560516 492927460 /nfs/dbraw/zinc/92/74/60/492927460.db2.gz XQBTZDDOLSNXJW-KRWDZBQOSA-N -1 3 369.483 0.877 10 0 FCAEHM CCS(=O)(=O)C[C@@H](C)[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000632146891 492939611 /nfs/dbraw/zinc/93/96/11/492939611.db2.gz VSKVNTWLGREAIF-SSDOTTSWSA-N -1 3 363.383 0.540 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]CC1(OC)CCOCC1)C1CCOCC1 ZINC000645614646 492940021 /nfs/dbraw/zinc/94/00/21/492940021.db2.gz IIKQUBKLZNLAIL-AWEZNQCLSA-N -1 3 351.465 0.543 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@H](C)[C@H]2CN(C)CCO2)coc1C(=O)N(C)C ZINC000645613319 492940141 /nfs/dbraw/zinc/94/01/41/492940141.db2.gz LGLTUFLOTYIXKD-VXGBXAGGSA-N -1 3 359.448 0.287 10 0 FCAEHM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000626195091 492945156 /nfs/dbraw/zinc/94/51/56/492945156.db2.gz NWFHBXPWYFNHDI-UHFFFAOYSA-N -1 3 353.394 0.957 10 0 FCAEHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)[C@H]1OC ZINC000632211916 492951497 /nfs/dbraw/zinc/95/14/97/492951497.db2.gz ADMMQWRBOJPNRR-IVZWLZJFSA-N -1 3 357.354 0.910 10 0 FCAEHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)[C@@H]1OC ZINC000632211914 492951824 /nfs/dbraw/zinc/95/18/24/492951824.db2.gz ADMMQWRBOJPNRR-AEJSXWLSSA-N -1 3 357.354 0.910 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]C[C@H]1CCCCS1(=O)=O)C1CCOCC1 ZINC000645647950 492953712 /nfs/dbraw/zinc/95/37/12/492953712.db2.gz FGICIPACYIVGCQ-ZIAGYGMSSA-N -1 3 369.505 0.315 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]Cc2nnnn2CC2CC2)coc1C(=O)N(C)C ZINC000645653167 492954900 /nfs/dbraw/zinc/95/49/00/492954900.db2.gz MGRNGCQUBCIDOL-UHFFFAOYSA-N -1 3 368.419 0.165 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-][C@H]1CCN(C(C)(C)C)C1=O)C1CCOCC1 ZINC000645782199 492974749 /nfs/dbraw/zinc/97/47/49/492974749.db2.gz DOMVQQIKAJKABN-KBPBESRZSA-N -1 3 362.492 0.747 10 0 FCAEHM COC1(CS(=O)(=O)[N-]C[C@@H](N2CCOCC2)C(F)(F)F)CCC1 ZINC000632333955 492975699 /nfs/dbraw/zinc/97/56/99/492975699.db2.gz PYZVHKSYVMXUAU-LLVKDONJSA-N -1 3 360.398 0.738 10 0 FCAEHM Cn1cnc(CCC[N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)n1 ZINC000645805093 492977048 /nfs/dbraw/zinc/97/70/48/492977048.db2.gz PILAKVFVNLIUSD-UHFFFAOYSA-N -1 3 358.445 0.130 10 0 FCAEHM CCN1CC[C@H]2OCCN(S(=O)(=O)c3cc(OC)ccc3[O-])[C@H]2C1 ZINC000632368647 492984780 /nfs/dbraw/zinc/98/47/80/492984780.db2.gz DDGDTZNIBLBCEC-DZGCQCFKSA-N -1 3 356.444 0.885 10 0 FCAEHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000652734796 493010909 /nfs/dbraw/zinc/01/09/09/493010909.db2.gz WJOXGVFBSJLLCI-UHFFFAOYSA-N -1 3 363.462 0.634 10 0 FCAEHM COC[C@@H]1C[C@@H](O)CN1C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000652778612 493017609 /nfs/dbraw/zinc/01/76/09/493017609.db2.gz VMHTWNKOSYJCSD-SDDRHHMPSA-N -1 3 360.407 0.101 10 0 FCAEHM O=C(N[C@H](CO)CN1CCCC1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000646223162 493030579 /nfs/dbraw/zinc/03/05/79/493030579.db2.gz CJQYYQBDUWVNSL-HOCLYGCPSA-N -1 3 361.442 0.570 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2C[C@@H](C)OCC23CCC3)cn1C ZINC000652881086 493031470 /nfs/dbraw/zinc/03/14/70/493031470.db2.gz OWDQZXBZHFKEMT-LLVKDONJSA-N -1 3 356.448 0.177 10 0 FCAEHM Cc1cc(C2([N-]S(=O)(=O)C[C@H]3CN(C)CCO3)CCOCC2)on1 ZINC000632602838 493043138 /nfs/dbraw/zinc/04/31/38/493043138.db2.gz XOAYFLVTNDBGAB-CYBMUJFWSA-N -1 3 359.448 0.239 10 0 FCAEHM C[C@@H]1CN(c2cc(F)cc(NC(=O)CN3CC(=O)[N-]C3=O)c2)C[C@H](C)O1 ZINC000652941038 493045720 /nfs/dbraw/zinc/04/57/20/493045720.db2.gz AFDCOOWRNFDTLU-PHIMTYICSA-N -1 3 364.377 0.930 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N(C)[C@@H]1CCC(=O)N(C)C1 ZINC000646407836 493046626 /nfs/dbraw/zinc/04/66/26/493046626.db2.gz PLMJGYZIQQFASQ-NWDGAFQWSA-N -1 3 371.434 0.572 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2[C@H]2CCCN2C)o1 ZINC000646448010 493049412 /nfs/dbraw/zinc/04/94/12/493049412.db2.gz YHTIBQVPRGASFL-NEPJUHHUSA-N -1 3 357.432 0.123 10 0 FCAEHM CN1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)CCc2nnn[n-]2)CC1 ZINC000632869414 493094545 /nfs/dbraw/zinc/09/45/45/493094545.db2.gz QCIAYGGYKJSPHH-CQSZACIVSA-N -1 3 352.483 0.852 10 0 FCAEHM CN1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)CCc2nn[n-]n2)CC1 ZINC000632869414 493094548 /nfs/dbraw/zinc/09/45/48/493094548.db2.gz QCIAYGGYKJSPHH-CQSZACIVSA-N -1 3 352.483 0.852 10 0 FCAEHM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000633063139 493110998 /nfs/dbraw/zinc/11/09/98/493110998.db2.gz DEPGKQRYESUGQV-GJZGRUSLSA-N -1 3 351.447 0.787 10 0 FCAEHM O=C(c1cc(=O)[n-]cn1)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000627285566 493133168 /nfs/dbraw/zinc/13/31/68/493133168.db2.gz JMLLLUJVXXFICF-VXGBXAGGSA-N -1 3 354.366 0.831 10 0 FCAEHM O=C(Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1)N1CCO[C@]2(CCOC2)C1 ZINC000681431207 493167071 /nfs/dbraw/zinc/16/70/71/493167071.db2.gz CRTBEABMKAEVOE-RDTXWAMCSA-N -1 3 374.397 0.460 10 0 FCAEHM Cc1nc(CN(C)C(=O)Nc2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)no1 ZINC000681436266 493168830 /nfs/dbraw/zinc/16/88/30/493168830.db2.gz ZNTPBNHAYVEBGL-LBPRGKRZSA-N -1 3 358.358 0.792 10 0 FCAEHM COCCOc1cccc(CNC(=O)NCc2nc(CN)cc(=O)[n-]2)c1 ZINC000659433685 493176047 /nfs/dbraw/zinc/17/60/47/493176047.db2.gz BITMZPVISZKCLS-UHFFFAOYSA-N -1 3 361.402 0.666 10 0 FCAEHM CC(C)(C(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)n1cc(N)cn1 ZINC000659266037 493180448 /nfs/dbraw/zinc/18/04/48/493180448.db2.gz JHXJKQMEWARUQY-QGZVFWFLSA-N -1 3 356.386 0.894 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000633784243 493188886 /nfs/dbraw/zinc/18/88/86/493188886.db2.gz XUWYWMHRGSPEDQ-BIGNPOOSSA-N -1 3 364.199 0.755 10 0 FCAEHM CC(C)n1ncc2c1C[C@H](NC(=O)NCc1nc(CN)cc(=O)[n-]1)CC2 ZINC000659484912 493192376 /nfs/dbraw/zinc/19/23/76/493192376.db2.gz ABYSMBAJPCRNKJ-GFCCVEGCSA-N -1 3 359.434 0.775 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CCC[C@]3(CCOC3)C2)cn1C ZINC000654248071 493218607 /nfs/dbraw/zinc/21/86/07/493218607.db2.gz ICLRDPPGVNAQLI-INIZCTEOSA-N -1 3 370.475 0.426 10 0 FCAEHM CC[C@@H]1CN(C(=O)NCc2nc(CN)cc(=O)[n-]2)CCN1CC(F)F ZINC000659629850 493223872 /nfs/dbraw/zinc/22/38/72/493223872.db2.gz AOBXXFSDHXSKLT-LLVKDONJSA-N -1 3 358.393 0.512 10 0 FCAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C3=C[C@@H](O)[C@@H](O)[C@H](O)C3)cc2)n1 ZINC000667199283 493265610 /nfs/dbraw/zinc/26/56/10/493265610.db2.gz HVDNQQHFVCNNJY-IIAWOOMASA-N -1 3 357.366 0.097 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)N1C[C@H](O)CC(F)(F)C1 ZINC000682467504 493301912 /nfs/dbraw/zinc/30/19/12/493301912.db2.gz CQZVPQBBCGCIEE-SECBINFHSA-N -1 3 369.415 0.438 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)N1C[C@H](O)CC(F)(F)C1 ZINC000682589995 493309972 /nfs/dbraw/zinc/30/99/72/493309972.db2.gz QXRUCEVAQVMFNE-SNVBAGLBSA-N -1 3 366.361 0.723 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N1C[C@H](O)CC(F)(F)C1 ZINC000682588230 493310049 /nfs/dbraw/zinc/31/00/49/493310049.db2.gz HZMMJOHQQRTZKD-SNVBAGLBSA-N -1 3 353.325 0.721 10 0 FCAEHM COc1ccc2c(c1)[n-]cc(C(=O)NCCC1CS(=O)(=O)C1)c2=O ZINC000682611506 493313476 /nfs/dbraw/zinc/31/34/76/493313476.db2.gz KONDJXDNXLHAOI-UHFFFAOYSA-N -1 3 350.396 0.701 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H]1CCN(C)C(=O)C1 ZINC000682691323 493317451 /nfs/dbraw/zinc/31/74/51/493317451.db2.gz KWVDEXMBDQQZRS-WDEREUQCSA-N -1 3 357.407 0.230 10 0 FCAEHM CCS(=O)(=O)C1(C[N-]S(=O)(=O)CC2(OC)CCOCC2)CC1 ZINC000660044117 493318366 /nfs/dbraw/zinc/31/83/66/493318366.db2.gz MQQPCVNUWTWQRI-UHFFFAOYSA-N -1 3 355.478 0.069 10 0 FCAEHM CC(C)[C@@H](NS(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C)C1CC1 ZINC000660044277 493318380 /nfs/dbraw/zinc/31/83/80/493318380.db2.gz OUOCARSMXJWUHT-GFCCVEGCSA-N -1 3 352.416 0.747 10 0 FCAEHM CCn1cc(S(=O)(=O)[N-]CCN2C[C@@H]3CCCCN3C2=O)nc1C ZINC000660051089 493319526 /nfs/dbraw/zinc/31/95/26/493319526.db2.gz BWUKXOCPIUEFLE-ZDUSSCGKSA-N -1 3 355.464 0.780 10 0 FCAEHM CCn1cc(S(=O)(=O)[N-]CCN2C[C@H]3CCCCN3C2=O)nc1C ZINC000660051088 493319575 /nfs/dbraw/zinc/31/95/75/493319575.db2.gz BWUKXOCPIUEFLE-CYBMUJFWSA-N -1 3 355.464 0.780 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]CC1(O)CCC(F)(F)CC1)[C@H]1CCOC1 ZINC000660072089 493321359 /nfs/dbraw/zinc/32/13/59/493321359.db2.gz RREZTXRZMBHWEK-NWDGAFQWSA-N -1 3 357.419 0.898 10 0 FCAEHM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cc(SC)ccc1[O-] ZINC000668154158 493322701 /nfs/dbraw/zinc/32/27/01/493322701.db2.gz GSPOKYCOVJWJIJ-LBPRGKRZSA-N -1 3 351.428 0.581 10 0 FCAEHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000673848214 493366979 /nfs/dbraw/zinc/36/69/79/493366979.db2.gz NVDJLTSPUIJOLX-CQSZACIVSA-N -1 3 372.381 0.472 10 0 FCAEHM COCCN(C(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)[C@@H]1CCOC1 ZINC000683891750 493377372 /nfs/dbraw/zinc/37/73/72/493377372.db2.gz MJJFQZRFOAUNNT-RDTXWAMCSA-N -1 3 361.398 0.619 10 0 FCAEHM Cc1ccc2ncccc2c1S(=O)(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000683953632 493381777 /nfs/dbraw/zinc/38/17/77/493381777.db2.gz YRSXKHDEUQEFEM-QGZVFWFLSA-N -1 3 374.422 0.906 10 0 FCAEHM CC(C)(CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])S(C)(=O)=O ZINC000674016576 493381825 /nfs/dbraw/zinc/38/18/25/493381825.db2.gz HSLZVAFCECZUNY-ZDUSSCGKSA-N -1 3 368.455 0.936 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)NC[C@H](C)c2ccncc2)cn1C ZINC000674125368 493391694 /nfs/dbraw/zinc/39/16/94/493391694.db2.gz HSMKUKXIXHHFOJ-LBPRGKRZSA-N -1 3 365.459 0.712 10 0 FCAEHM Cc1c(C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)sc2nc(C)nc(N)c12 ZINC000684078712 493392585 /nfs/dbraw/zinc/39/25/85/493392585.db2.gz IIOLFCOEEDMTIR-MRXNPFEDSA-N -1 3 374.426 0.705 10 0 FCAEHM O=C(NCc1ncccc1[O-])Nc1ccnn1[C@H]1CCS(=O)(=O)C1 ZINC000684236005 493401822 /nfs/dbraw/zinc/40/18/22/493401822.db2.gz LCWKENLKZRSQKP-JTQLQIEISA-N -1 3 351.388 0.665 10 0 FCAEHM NS(=O)(=O)c1ccc(F)c(CNC(=O)NCc2ncccc2[O-])c1 ZINC000684266467 493402775 /nfs/dbraw/zinc/40/27/75/493402775.db2.gz VJGLEEJHSNWGNJ-UHFFFAOYSA-N -1 3 354.363 0.573 10 0 FCAEHM O=C(NCc1ncccc1[O-])c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000684350796 493408185 /nfs/dbraw/zinc/40/81/85/493408185.db2.gz UAOKNRNNBNSQNS-UHFFFAOYSA-N -1 3 367.383 0.331 10 0 FCAEHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1C[C@H](O)C[C@H](O)C1 ZINC000674805872 493448991 /nfs/dbraw/zinc/44/89/91/493448991.db2.gz USCBAPXUFOSVPR-AOOOYVTPSA-N -1 3 367.199 0.858 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)NCCc2cncc(C)n2)s1 ZINC000661909344 493474710 /nfs/dbraw/zinc/47/47/10/493474710.db2.gz VIOVUOCESWBGIY-UHFFFAOYSA-N -1 3 369.472 0.797 10 0 FCAEHM CCOCc1nc([C@H](C)[N-]S(=O)(=O)c2cccc(C(N)=O)c2)no1 ZINC000685603945 493505446 /nfs/dbraw/zinc/50/54/46/493505446.db2.gz NMOMRTUCQRKJEK-VIFPVBQESA-N -1 3 354.388 0.745 10 0 FCAEHM NCc1cc(=O)[n-]c(CNC(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)n1 ZINC000662753370 493538564 /nfs/dbraw/zinc/53/85/64/493538564.db2.gz PXSXGYVWDBHWEP-OLZOCXBDSA-N -1 3 356.382 0.832 10 0 FCAEHM CCN1CC[C@@H]([N-]S(=O)(=O)c2ccc(CCNC(C)=O)s2)C1=O ZINC000669985022 493538784 /nfs/dbraw/zinc/53/87/84/493538784.db2.gz YKNVTKCQAQQICS-GFCCVEGCSA-N -1 3 359.473 0.326 10 0 FCAEHM CCN1CC[C@@H]([N-]S(=O)(=O)c2ccc([C@H](C)NC(C)=O)s2)C1=O ZINC000669984871 493538941 /nfs/dbraw/zinc/53/89/41/493538941.db2.gz KQOKVDKUFFLTCE-GXSJLCMTSA-N -1 3 359.473 0.844 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)Nc2ccncc2N(C)C)s1 ZINC000670080495 493544649 /nfs/dbraw/zinc/54/46/49/493544649.db2.gz VQQHAWJFUJMHDP-UHFFFAOYSA-N -1 3 369.472 0.861 10 0 FCAEHM NCc1cc(=O)[n-]c(CNC(=O)[C@@H]2CSCN2C(=O)C2CCCC2)n1 ZINC000662945982 493559203 /nfs/dbraw/zinc/55/92/03/493559203.db2.gz LRUCIQPTXIGMHL-LBPRGKRZSA-N -1 3 365.459 0.349 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2C[C@@H](C)[C@H](O)[C@@H](C)C2)s1 ZINC000663535932 493594561 /nfs/dbraw/zinc/59/45/61/493594561.db2.gz CXPUMYPNJXNZCY-IWIIMEHWSA-N -1 3 361.489 0.815 10 0 FCAEHM C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663619157 493605028 /nfs/dbraw/zinc/60/50/28/493605028.db2.gz FPOFRBGSIVWBLE-VNHYZAJKSA-N -1 3 353.463 0.840 10 0 FCAEHM CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663631324 493607158 /nfs/dbraw/zinc/60/71/58/493607158.db2.gz YTZTVGGPUGEZTB-KBPBESRZSA-N -1 3 353.463 0.840 10 0 FCAEHM O=C([O-])[C@H](CNC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1)C1CCC1 ZINC000663632425 493607452 /nfs/dbraw/zinc/60/74/52/493607452.db2.gz HSBWZEJHJNDOKH-LSDHHAIUSA-N -1 3 351.447 0.690 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC000677868480 493620239 /nfs/dbraw/zinc/62/02/39/493620239.db2.gz BETSANADIFFMML-ZFWWWQNUSA-N -1 3 365.393 0.715 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NC1(CCO)CCOCC1 ZINC000679403274 493678378 /nfs/dbraw/zinc/67/83/78/493678378.db2.gz QOEUYUUVIJCYBD-NSHDSACASA-N -1 3 362.473 0.463 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)NC1(CCO)CCOCC1 ZINC000679401958 493678386 /nfs/dbraw/zinc/67/83/86/493678386.db2.gz FRNWVYUNUHQIIH-UHFFFAOYSA-N -1 3 373.409 0.306 10 0 FCAEHM Cc1cn2c(n1)CN(C(=O)c1cccc([C@]3(C)NC(=O)[N-]C3=O)c1)CC2 ZINC000679906753 493700659 /nfs/dbraw/zinc/70/06/59/493700659.db2.gz AKOPENWXARKYRK-SFHVURJKSA-N -1 3 353.382 0.902 10 0 FCAEHM Cn1cc(CNC(=O)CC[N-]S(=O)(=O)c2ccc(F)c(F)c2)nn1 ZINC000679961873 493703295 /nfs/dbraw/zinc/70/32/95/493703295.db2.gz ZSFRAUOJCNKOJA-UHFFFAOYSA-N -1 3 359.358 0.078 10 0 FCAEHM CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000665304161 493708499 /nfs/dbraw/zinc/70/84/99/493708499.db2.gz ZFIJRQDXQATULD-GJZGRUSLSA-N -1 3 368.478 0.729 10 0 FCAEHM COCCOc1cc2c(cc1CN1C[C@@H]3COC[C@]3(C(=O)[O-])C1)OCO2 ZINC000665344778 493711086 /nfs/dbraw/zinc/71/10/86/493711086.db2.gz UYXNTPCHXQILSN-FZKQIMNGSA-N -1 3 365.382 0.974 10 0 FCAEHM Cc1nnccc1[N-]C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000680399528 493715698 /nfs/dbraw/zinc/71/56/98/493715698.db2.gz PLGFJZBMTBGMQF-UHFFFAOYSA-N -1 3 352.372 0.651 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)NCCOCC1CCC1 ZINC000680937057 493737847 /nfs/dbraw/zinc/73/78/47/493737847.db2.gz LRSKZZSFLKFZCG-NSHDSACASA-N -1 3 359.448 0.891 10 0 FCAEHM CN(C)c1cnccc1NC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000681362928 493758429 /nfs/dbraw/zinc/75/84/29/493758429.db2.gz NVKQSSOZAJKFMD-GOSISDBHSA-N -1 3 353.382 0.876 10 0 FCAEHM COC(C)(C)CS(=O)(=O)[N-]c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000666298024 493768824 /nfs/dbraw/zinc/76/88/24/493768824.db2.gz BGCJCEFFKSNBSH-OAHLLOKOSA-N -1 3 355.416 0.908 10 0 FCAEHM CC(=O)N1CCO[C@H](C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)C1 ZINC000936048615 674339427 /nfs/dbraw/zinc/33/94/27/674339427.db2.gz NHCHVESPSZBFLH-RYUDHWBXSA-N -1 3 365.352 0.151 10 0 FCAEHM CC(=O)N1CCO[C@H](C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)C1 ZINC000936048611 674339412 /nfs/dbraw/zinc/33/94/12/674339412.db2.gz NHCHVESPSZBFLH-NEPJUHHUSA-N -1 3 365.352 0.151 10 0 FCAEHM O=C(NCCN1CCOCC1)N[N-]C(=O)c1ccccc1Br ZINC000042951541 674343805 /nfs/dbraw/zinc/34/38/05/674343805.db2.gz WQLDGVZSEZNLKD-UHFFFAOYSA-N -1 3 371.235 0.725 10 0 FCAEHM C[C@@H](O)[C@@H](CO)NC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000412421213 533788805 /nfs/dbraw/zinc/78/88/05/533788805.db2.gz SXODRIABUVSRCM-JMCQJSRRSA-N -1 3 355.188 0.762 10 0 FCAEHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCO[C@H]([C@@H](C)O)C1 ZINC000411960018 528274475 /nfs/dbraw/zinc/27/44/75/528274475.db2.gz VYKZHZXMHFIZDI-KOLCDFICSA-N -1 3 356.400 0.472 10 0 FCAEHM CC(C)n1cnc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2CNS(C)(=O)=O)c1 ZINC000409786857 528616766 /nfs/dbraw/zinc/61/67/66/528616766.db2.gz BRJNOPDICHKLMV-NEPJUHHUSA-N -1 3 364.493 0.460 10 0 FCAEHM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC1(CCO)CC1 ZINC000444216331 536118204 /nfs/dbraw/zinc/11/82/04/536118204.db2.gz USGBVSGPLWVAFR-UHFFFAOYSA-N -1 3 362.473 0.378 10 0 FCAEHM COC(=O)[C@@](C)(O)CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436674705 536559392 /nfs/dbraw/zinc/55/93/92/536559392.db2.gz ISTSLSDZVBTXKD-SJCJKPOMSA-N -1 3 350.371 0.037 10 0 FCAEHM COC[C@](C)(O)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000452365277 536643727 /nfs/dbraw/zinc/64/37/27/536643727.db2.gz UKYNYXAKLYJOQF-KBXCAEBGSA-N -1 3 350.415 0.901 10 0 FCAEHM COC[C@@](C)(O)CCNC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000452339534 536808808 /nfs/dbraw/zinc/80/88/08/536808808.db2.gz MSMLHUBNZHULIS-ZDUSSCGKSA-N -1 3 350.462 0.320 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N(C(C)C)[C@H]1CCOC1 ZINC000329623805 546559084 /nfs/dbraw/zinc/55/90/84/546559084.db2.gz AFMXCRKTHWMLKI-AAEUAGOBSA-N -1 3 359.448 0.984 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCC[C@H]2COCC[C@@H]21 ZINC000329647922 546559713 /nfs/dbraw/zinc/55/97/13/546559713.db2.gz AUQFPAVXJSRRSP-UBHSHLNASA-N -1 3 371.459 0.986 10 0 FCAEHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](C(=O)OC)c1ccnn1C ZINC000592093710 546611247 /nfs/dbraw/zinc/61/12/47/546611247.db2.gz XGGPCTLWIDPXPJ-SNVBAGLBSA-N -1 3 373.412 0.461 10 0 FCAEHM COc1cccc(S([O-])=CC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)c1 ZINC000592872934 546671829 /nfs/dbraw/zinc/67/18/29/546671829.db2.gz NFCUPBNQWMRSIA-SHZVTRLKSA-N -1 3 367.471 0.381 10 0 FCAEHM CCO[C@@H]1C[C@@H](NC(=O)c2ccc(S(=O)(=O)[N-]C)nc2)[C@@H]1SC ZINC000592891182 546672926 /nfs/dbraw/zinc/67/29/26/546672926.db2.gz AISGAPMXFVEBRW-WZRBSPASSA-N -1 3 359.473 0.629 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-]Cc2ncc3c(n2)CCOC3)c(C)o1 ZINC000593628117 546723671 /nfs/dbraw/zinc/72/36/71/546723671.db2.gz WMNMWVLRBYHDOL-UHFFFAOYSA-N -1 3 367.383 0.716 10 0 FCAEHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]CC[C@]1(O)CCOC1 ZINC000593634967 546725575 /nfs/dbraw/zinc/72/55/75/546725575.db2.gz GNMVSTWQICPIAA-AWEZNQCLSA-N -1 3 363.819 0.946 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]C[C@](C)(O)C(=O)OC(C)(C)C)[C@H]1CCOC1 ZINC000594767325 546821461 /nfs/dbraw/zinc/82/14/61/546821461.db2.gz DEZRNUQIDRZCQD-ZOWXZIJZSA-N -1 3 367.464 0.050 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](OC)[C@H]2CCOC2)c(F)c1 ZINC000594799893 546825997 /nfs/dbraw/zinc/82/59/97/546825997.db2.gz GESFJVZHAXBLSQ-WCQYABFASA-N -1 3 361.391 0.942 10 0 FCAEHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@@H](OC)[C@@H]2CCOC2)c1 ZINC000594798717 546826600 /nfs/dbraw/zinc/82/66/00/546826600.db2.gz ADHKHOBRPGDOEK-QMTHXVAHSA-N -1 3 361.391 0.942 10 0 FCAEHM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-][C@H](CO)C2CCC2)c1 ZINC000594801184 546827481 /nfs/dbraw/zinc/82/74/81/546827481.db2.gz KIJWUYLXHLVLAN-CYBMUJFWSA-N -1 3 371.411 0.699 10 0 FCAEHM COC(=O)c1ncccc1S(=O)(=O)[N-][C@H](CO)[C@@H]1CCC[C@H](OC)C1 ZINC000594806489 546828773 /nfs/dbraw/zinc/82/87/73/546828773.db2.gz CELWSPJJFURXHH-FRRDWIJNSA-N -1 3 372.443 0.713 10 0 FCAEHM CN(CC(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O)c1ccc(Cl)cn1 ZINC000325451733 546850290 /nfs/dbraw/zinc/85/02/90/546850290.db2.gz XVKNAXXFUGDRSK-OAHLLOKOSA-N -1 3 351.794 0.372 10 0 FCAEHM COCC(COC)S(=O)(=O)[N-]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000641349670 546941006 /nfs/dbraw/zinc/94/10/06/546941006.db2.gz CVBMKJJGNDEBMN-KRWDZBQOSA-N -1 3 372.487 0.204 10 0 FCAEHM O=C1[N-]C(=O)[C@H](Cc2nc(Cc3cc(Cl)c4c(c3)OCCO4)no2)N1 ZINC000545594576 547032678 /nfs/dbraw/zinc/03/26/78/547032678.db2.gz CVBAOKUXMFUTHO-VIFPVBQESA-N -1 3 364.745 0.836 10 0 FCAEHM COc1ccc([C@H](C)NC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)cc1F ZINC000546118968 547038015 /nfs/dbraw/zinc/03/80/15/547038015.db2.gz XUQGMTLJSVPBAI-CABZTGNLSA-N -1 3 350.350 0.841 10 0 FCAEHM CCCS(=O)(=O)NC1CCN(C(=O)c2cc(=O)[n-]c(N(C)C)n2)CC1 ZINC000546619587 547044065 /nfs/dbraw/zinc/04/40/65/547044065.db2.gz AWOUXYQNTNPZRD-UHFFFAOYSA-N -1 3 371.463 0.182 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CC[C@H](OC(F)F)C1 ZINC000549212109 547066391 /nfs/dbraw/zinc/06/63/91/547066391.db2.gz YVSFQFOONKCVIP-LURJTMIESA-N -1 3 368.134 0.552 10 0 FCAEHM O=C(CNC(=O)c1ccc([O-])cc1)N1CCN(CC(F)(F)F)C(=O)C1 ZINC000552383046 547206465 /nfs/dbraw/zinc/20/64/65/547206465.db2.gz PKDWAWQRXNRFQK-UHFFFAOYSA-N -1 3 359.304 0.355 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)c2cccnc2C(N)=O)ccc1F ZINC000553074262 547250275 /nfs/dbraw/zinc/25/02/75/547250275.db2.gz YILCUEOAPLFWTI-UHFFFAOYSA-N -1 3 352.347 0.480 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CCNC(=O)c1cccnc1 ZINC000079268045 674447766 /nfs/dbraw/zinc/44/77/66/674447766.db2.gz JAUHGLVARIXPKT-UHFFFAOYSA-N -1 3 357.823 0.485 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@H](C)CN1CCOCC1 ZINC000160391989 663330358 /nfs/dbraw/zinc/33/03/58/663330358.db2.gz ABYBHZBJTLHSBT-JTQLQIEISA-N -1 3 350.872 0.629 10 0 FCAEHM CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436518687 665983604 /nfs/dbraw/zinc/98/36/04/665983604.db2.gz SGPUZRJMWYZMAM-GXSJLCMTSA-N -1 3 356.400 0.569 10 0 FCAEHM CN(C)S(=O)(=O)N1CCCN(C(=O)c2cc3c(cc2[O-])OCO3)CC1 ZINC000436610286 665988980 /nfs/dbraw/zinc/98/89/80/665988980.db2.gz UFYWFEUXKCKZJM-UHFFFAOYSA-N -1 3 371.415 0.075 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@@H]2C[C@@H](N3CCOCC3)C2(C)C)nc1Cl ZINC000867451895 664286391 /nfs/dbraw/zinc/28/63/91/664286391.db2.gz OIKSUWZQFGXULM-GHMZBOCLSA-N -1 3 362.883 0.851 10 0 FCAEHM Cn1nc(C[C@H]2CCCC[C@H]2[N-]S(=O)(=O)c2ccco2)n(C)c1=O ZINC000888098316 664832113 /nfs/dbraw/zinc/83/21/13/664832113.db2.gz FXFXWTOVKSCHHV-VXGBXAGGSA-N -1 3 354.432 0.792 10 0 FCAEHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1cn(C)nc1Br)C1CC1 ZINC000866942427 665222949 /nfs/dbraw/zinc/22/29/49/665222949.db2.gz SKLNQVZGABVDOM-MRVPVSSYSA-N -1 3 366.237 0.803 10 0 FCAEHM CC[S@](C)(=O)=NS(=O)(=O)[N-]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000866959489 665247274 /nfs/dbraw/zinc/24/72/74/665247274.db2.gz XJULZMDZROHXBV-BYVOGVQKSA-N -1 3 355.526 0.828 10 0 FCAEHM CC[S@](C)(=O)=NS(=O)(=O)[N-]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000866959592 665247316 /nfs/dbraw/zinc/24/73/16/665247316.db2.gz XJULZMDZROHXBV-ZNLKAECVSA-N -1 3 355.526 0.828 10 0 FCAEHM O=C([O-])[C@H](CF)NC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000909133989 666225545 /nfs/dbraw/zinc/22/55/45/666225545.db2.gz MONBLLUVBNORDY-GJZGRUSLSA-N -1 3 353.394 0.999 10 0 FCAEHM O=C([O-])[C@@H](CF)NC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000909133991 666225620 /nfs/dbraw/zinc/22/56/20/666225620.db2.gz MONBLLUVBNORDY-LSDHHAIUSA-N -1 3 353.394 0.999 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]C[C@@]2(CO)COCCN2C)c(F)c1F ZINC000921338581 666436296 /nfs/dbraw/zinc/43/62/96/666436296.db2.gz LMTXBLUHWHYCRA-CQSZACIVSA-N -1 3 350.387 0.245 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000912468763 666444201 /nfs/dbraw/zinc/44/42/01/666444201.db2.gz GWKSXVPQIODJQR-QWHCGFSZSA-N -1 3 352.460 0.706 10 0 FCAEHM C[C@H]1CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)CCO1 ZINC000921409302 666446043 /nfs/dbraw/zinc/44/60/43/666446043.db2.gz VKFQTIACEXWZPB-JTQLQIEISA-N -1 3 366.436 0.997 10 0 FCAEHM CN(CCO)CCN(C)C(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000912610978 666462868 /nfs/dbraw/zinc/46/28/68/666462868.db2.gz QKGMVJOQYPDMJD-UHFFFAOYSA-N -1 3 350.444 0.218 10 0 FCAEHM CO[C@@H]1COC[C@@H]1[N-]S(=O)(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000916279593 666998331 /nfs/dbraw/zinc/99/83/31/666998331.db2.gz JFOSBKJGTFVJHI-RWMBFGLXSA-N -1 3 364.464 0.719 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CN3CCN2CCC3)s1 ZINC000917043979 667045744 /nfs/dbraw/zinc/04/57/44/667045744.db2.gz JOLDGHWJYSOWKQ-NSHDSACASA-N -1 3 359.473 0.203 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cnn2c1OCC(C)(C)C2)[C@H](O)C(F)(F)F ZINC000918822420 667136989 /nfs/dbraw/zinc/13/69/89/667136989.db2.gz RAIARUISQMBXBU-APPZFPTMSA-N -1 3 357.354 0.892 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CC(C)(C)CS(C)(=O)=O ZINC000921626148 667156611 /nfs/dbraw/zinc/15/66/11/667156611.db2.gz XORYZXWILZYZAF-UHFFFAOYSA-N -1 3 357.885 0.731 10 0 FCAEHM CNC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC)C(C)C ZINC000751526578 667474605 /nfs/dbraw/zinc/47/46/05/667474605.db2.gz XDKDVIAGMZLQAA-JTQLQIEISA-N -1 3 363.823 0.571 10 0 FCAEHM COC(=O)c1coc(S(=O)(=O)[N-]C[C@H]2CCN2C2CCOCC2)c1 ZINC000921907219 667538536 /nfs/dbraw/zinc/53/85/36/667538536.db2.gz DUVCRKLGIADLIU-CYBMUJFWSA-N -1 3 358.416 0.598 10 0 FCAEHM Cn1nccc1[C@H](O)C[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000921963739 667554743 /nfs/dbraw/zinc/55/47/43/667554743.db2.gz FERQEQVHXTXANW-SECBINFHSA-N -1 3 350.322 0.846 10 0 FCAEHM Cn1nccc1[C@H](O)C[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000921966511 667555954 /nfs/dbraw/zinc/55/59/54/667555954.db2.gz KQTBTLGUGWRPQR-SNVBAGLBSA-N -1 3 361.221 0.590 10 0 FCAEHM COc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCc3nnn(C)c3C2)cc1F ZINC000922039042 667572888 /nfs/dbraw/zinc/57/28/88/667572888.db2.gz NQAYYDCVHFEZBZ-MRVPVSSYSA-N -1 3 358.370 0.938 10 0 FCAEHM NC(=O)CC1(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CCC1 ZINC000754414183 667596170 /nfs/dbraw/zinc/59/61/70/667596170.db2.gz CYACKIVUNWJCTF-UHFFFAOYSA-N -1 3 369.418 0.794 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@@H]1CCCS(=O)(=O)C1 ZINC000805123232 667715234 /nfs/dbraw/zinc/71/52/34/667715234.db2.gz KUBMNVRNNDDKMZ-VIFPVBQESA-N -1 3 355.869 0.485 10 0 FCAEHM CCOC(=O)[C@@H](Cc1ccccn1)[N-]S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000758172682 667746316 /nfs/dbraw/zinc/74/63/16/667746316.db2.gz APQYSFQYSAGIMM-LLVKDONJSA-N -1 3 372.834 0.921 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)OCC(=O)c1ccc2c(c1)OCO2 ZINC000758350143 667755045 /nfs/dbraw/zinc/75/50/45/667755045.db2.gz AGOXYQUODWGLRJ-UHFFFAOYSA-N -1 3 373.383 0.097 10 0 FCAEHM C[C@H](CC(=O)N[C@]12C[C@H]1COC2)[N-]S(=O)(=O)c1cccnc1Cl ZINC000923362570 667828974 /nfs/dbraw/zinc/82/89/74/667828974.db2.gz ZMLWQJTWNSIZPT-BFVZDQMLSA-N -1 3 359.835 0.697 10 0 FCAEHM O=C([N-]OCC(F)F)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000760146941 667838132 /nfs/dbraw/zinc/83/81/32/667838132.db2.gz LNNDCZUEQKNBGW-OUAUKWLOSA-N -1 3 368.402 0.409 10 0 FCAEHM COC(=O)[C@@H](F)CNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC000838077056 667918423 /nfs/dbraw/zinc/91/84/23/667918423.db2.gz HCBHTTSFJYEBCP-JTQLQIEISA-N -1 3 353.281 0.115 10 0 FCAEHM COC(=O)[C@@H](F)CNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000838077056 667918424 /nfs/dbraw/zinc/91/84/24/667918424.db2.gz HCBHTTSFJYEBCP-JTQLQIEISA-N -1 3 353.281 0.115 10 0 FCAEHM CNC(=O)[C@@H]([N-]S(=O)(=O)c1cn(C)nc1Br)C(C)C ZINC000866991096 667947326 /nfs/dbraw/zinc/94/73/26/667947326.db2.gz GUUMFIIRBUQSIB-QMMMGPOBSA-N -1 3 353.242 0.232 10 0 FCAEHM COC(=O)C1([N-]S(=O)(=O)c2cn(C)nc2Br)CCC1 ZINC000866994563 667958194 /nfs/dbraw/zinc/95/81/94/667958194.db2.gz NNIVPLLCBWARNG-UHFFFAOYSA-N -1 3 352.210 0.557 10 0 FCAEHM CCN1CCN(c2ccc(C(=O)[N-]S(=O)(=O)C[C@H](C)OC)cc2)CC1 ZINC000764184136 667975741 /nfs/dbraw/zinc/97/57/41/667975741.db2.gz JUVWNRCGPYJINP-AWEZNQCLSA-N -1 3 369.487 0.923 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCSC[C@H]2CCO)ccc1F ZINC000769007196 668109860 /nfs/dbraw/zinc/10/98/60/668109860.db2.gz XCASGAFQTDEXBX-LLVKDONJSA-N -1 3 362.448 0.674 10 0 FCAEHM Cc1nnc(COC(=O)C[N-]S(=O)(=O)CCOC(C)C)n1C1CC1 ZINC000774962186 668187630 /nfs/dbraw/zinc/18/76/30/668187630.db2.gz LRJXHJCZUOGQTM-UHFFFAOYSA-N -1 3 360.436 0.309 10 0 FCAEHM COC(=O)c1cc(NC(=O)NN2CC(=O)[N-]C2=O)ccc1Br ZINC000770647385 668208241 /nfs/dbraw/zinc/20/82/41/668208241.db2.gz MMJGMDVXPALPGD-UHFFFAOYSA-N -1 3 371.147 0.824 10 0 FCAEHM COCCO[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000776802884 668294310 /nfs/dbraw/zinc/29/43/10/668294310.db2.gz RYNOMFMTIJOTAE-WDEREUQCSA-N -1 3 367.855 0.481 10 0 FCAEHM CNS(=O)(=O)CCCOC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000777079973 668308382 /nfs/dbraw/zinc/30/83/82/668308382.db2.gz XLSKBNSBYMBSPI-UHFFFAOYSA-N -1 3 368.408 0.293 10 0 FCAEHM O=C(CN1CCCS1(=O)=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000783027196 668595090 /nfs/dbraw/zinc/59/50/90/668595090.db2.gz TWBWUHWCCDAHBZ-UHFFFAOYSA-N -1 3 353.356 0.521 10 0 FCAEHM C[C@@H]1C[C@H](COC(=O)c2ccc(S(=O)(=O)[N-]CCO)s2)CCO1 ZINC000783853449 668634839 /nfs/dbraw/zinc/63/48/39/668634839.db2.gz QBVISODVZFZYIV-GHMZBOCLSA-N -1 3 363.457 0.991 10 0 FCAEHM C[C@H]1C[C@H](COC(=O)c2ccc(S(=O)(=O)[N-]CCO)s2)CCO1 ZINC000783853452 668635102 /nfs/dbraw/zinc/63/51/02/668635102.db2.gz QBVISODVZFZYIV-WDEREUQCSA-N -1 3 363.457 0.991 10 0 FCAEHM CCc1nnc(COC(=O)C[N-]S(=O)(=O)c2c(C)noc2C)s1 ZINC000785050843 668689439 /nfs/dbraw/zinc/68/94/39/668689439.db2.gz HXTJAQLWJFKQIT-UHFFFAOYSA-N -1 3 360.417 0.727 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)OCC(=O)[C@@H]1Cc2ccccc21 ZINC000795545729 669042627 /nfs/dbraw/zinc/04/26/27/669042627.db2.gz MVMVTLWFQFMXMU-CQSZACIVSA-N -1 3 355.412 0.395 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CC(C)(C)[C@@]1(O)CCOC1 ZINC000828097905 669616452 /nfs/dbraw/zinc/61/64/52/669616452.db2.gz DKMLJEFDLLPPKX-CYBMUJFWSA-N -1 3 351.856 0.838 10 0 FCAEHM CCN(OC)C(=O)C[N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC ZINC000828174565 669623451 /nfs/dbraw/zinc/62/34/51/669623451.db2.gz QFCQHXRFNWNYMS-UHFFFAOYSA-N -1 3 366.417 0.232 10 0 FCAEHM COC(C)(C)CS(=O)(=O)[N-]N1C(=O)N[C@@](C)(c2ccccc2)C1=O ZINC000809839420 669644516 /nfs/dbraw/zinc/64/45/16/669644516.db2.gz LTNPNBMALBWRQE-HNNXBMFYSA-N -1 3 355.416 0.713 10 0 FCAEHM CN1CC[C@@H](C(=O)OCc2cc(=O)[n-]c(-c3ccccc3)n2)S1(=O)=O ZINC000830153109 669757874 /nfs/dbraw/zinc/75/78/74/669757874.db2.gz QRFUNGYAGDKNER-ZDUSSCGKSA-N -1 3 363.395 0.926 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000815108611 669900000 /nfs/dbraw/zinc/90/00/00/669900000.db2.gz KDSWGLLXCAWSQB-JSGCOSHPSA-N -1 3 363.867 0.980 10 0 FCAEHM C[C@H](O)C[C@H](C)[N-]S(=O)(=O)c1cnn(C)c1I ZINC000867090784 669933316 /nfs/dbraw/zinc/93/33/16/669933316.db2.gz RRYABYQWSJZADY-BQBZGAKWSA-N -1 3 373.216 0.462 10 0 FCAEHM CO[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cnn(C)c1I ZINC000867164852 670031728 /nfs/dbraw/zinc/03/17/28/670031728.db2.gz KYYPFSPUGCHVIO-NKWVEPMBSA-N -1 3 373.216 0.726 10 0 FCAEHM COC(=O)Nc1ccc(C(=O)OCCN2C(=O)N[C@@H](C)C2=O)cc1[O-] ZINC000837554612 670115238 /nfs/dbraw/zinc/11/52/38/670115238.db2.gz FZQOMNVSBSDHPI-QMMMGPOBSA-N -1 3 351.315 0.668 10 0 FCAEHM O=c1[nH]c2cc(F)c(S(=O)(=O)[N-]CCCN3CCOC3=O)cc2o1 ZINC000841481219 670566173 /nfs/dbraw/zinc/56/61/73/670566173.db2.gz KKZFELMUKHWKIM-UHFFFAOYSA-N -1 3 359.335 0.381 10 0 FCAEHM O=S(=O)(CC[N-]S(=O)(=O)c1cccnc1C(F)(F)F)C1CC1 ZINC000841557971 670593679 /nfs/dbraw/zinc/59/36/79/670593679.db2.gz PIBTUALRZBGQBU-UHFFFAOYSA-N -1 3 358.363 0.956 10 0 FCAEHM CC[S@@](C)(=O)=NS(=O)(=O)[N-]Cc1cccc(N2CCOCC2)c1 ZINC000867303934 670730728 /nfs/dbraw/zinc/73/07/28/670730728.db2.gz HIJUDHQGTLTDSS-JOCHJYFZSA-N -1 3 361.489 0.975 10 0 FCAEHM CCON(C)C(=O)C[N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC ZINC000846004056 671066023 /nfs/dbraw/zinc/06/60/23/671066023.db2.gz CTTKBQQYKQRPBP-UHFFFAOYSA-N -1 3 366.417 0.232 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC(C)(C)O[C@@H]3COC[C@H]32)ccc1F ZINC000846625350 671133151 /nfs/dbraw/zinc/13/31/51/671133151.db2.gz YMGXEZXCYHOHBI-CHWSQXEVSA-N -1 3 372.418 0.752 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCn3nncc3C2)ccc1F ZINC000847160846 671174504 /nfs/dbraw/zinc/17/45/04/671174504.db2.gz NOZUDAUGZHQWBZ-UHFFFAOYSA-N -1 3 367.406 0.760 10 0 FCAEHM CC(C)(C)OC(=O)NC[C@H](NC(=O)NN1CC(=O)[N-]C1=O)C(F)(F)F ZINC000847233670 671177980 /nfs/dbraw/zinc/17/79/80/671177980.db2.gz YACNXGWUGLAOKA-LURJTMIESA-N -1 3 369.300 0.208 10 0 FCAEHM O=S(=O)([N-]C[C@@]1(OCCO)CCOC1)c1ccc(Cl)nc1Cl ZINC000849426900 671341951 /nfs/dbraw/zinc/34/19/51/671341951.db2.gz CVZSKJDNYIHEHR-LBPRGKRZSA-N -1 3 371.242 0.835 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CCS(=O)(=O)CC(F)(F)F ZINC000849441210 671346034 /nfs/dbraw/zinc/34/60/34/671346034.db2.gz ORWAGRXALKALQT-UHFFFAOYSA-N -1 3 350.340 0.547 10 0 FCAEHM O=S(=O)(C[C@H]1CCCS(=O)(=O)C1)[N-]C[C@]12OCCC[C@H]1C2(F)F ZINC000849459599 671349288 /nfs/dbraw/zinc/34/92/88/671349288.db2.gz RFBAMSYQLKBBCC-TUAOUCFPSA-N -1 3 373.443 0.545 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]C[C@]12OCCC[C@H]1C2(F)F)[C@@H]1CCOC1 ZINC000849459788 671349621 /nfs/dbraw/zinc/34/96/21/671349621.db2.gz VJEIAKBXJDWECZ-XQHKEYJVSA-N -1 3 355.403 0.772 10 0 FCAEHM CCOC(=O)N1CCC(S(=O)(=O)[N-][C@@](C)(CCF)C(=O)OC)CC1 ZINC000849469003 671350782 /nfs/dbraw/zinc/35/07/82/671350782.db2.gz MCNHEDPVIFHGPN-AWEZNQCLSA-N -1 3 368.427 0.818 10 0 FCAEHM C[C@H]1CCN(CCN2C(=O)CN(C)C2=O)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000852052044 671483957 /nfs/dbraw/zinc/48/39/57/671483957.db2.gz XVOLUZBSWXERSH-NHCYSSNCSA-N -1 3 364.368 0.658 10 0 FCAEHM COC(=O)CC[C@@H](C(=O)OC)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000852061108 671484154 /nfs/dbraw/zinc/48/41/54/671484154.db2.gz KDUXXCBGQPECBL-QWRGUYRKSA-N -1 3 368.352 0.872 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](OC)[C@@H]2CCOC2)ccc1F ZINC000855205538 671629554 /nfs/dbraw/zinc/62/95/54/671629554.db2.gz GYAZVYNZGABGOG-DGCLKSJQSA-N -1 3 360.407 0.515 10 0 FCAEHM O=C(CNC(=O)c1ccc([O-])cc1)NCC[S@](=O)CC(F)(F)F ZINC000857302518 671724288 /nfs/dbraw/zinc/72/42/88/671724288.db2.gz UGQCPSGGKIINNB-QHCPKHFHSA-N -1 3 352.334 0.549 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N[C@@H]1C[C@@H](O)c2ccccc21 ZINC000857318529 671724885 /nfs/dbraw/zinc/72/48/85/671724885.db2.gz QNUFPNBETMJMLI-ZIAGYGMSSA-N -1 3 365.411 0.864 10 0 FCAEHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1c(Br)nc2n1CCOC2 ZINC000857713244 671733818 /nfs/dbraw/zinc/73/38/18/671733818.db2.gz DALGAYXTOPQNHN-UHFFFAOYSA-N -1 3 370.163 0.938 10 0 FCAEHM Cc1noc([C@@H]2OCC[C@@H]2[N-]S(=O)(=O)c2c(C)nn(C)c2Cl)n1 ZINC000859417798 671825236 /nfs/dbraw/zinc/82/52/36/671825236.db2.gz HDBFKAWDWNLOGY-DTWKUNHWSA-N -1 3 361.811 0.882 10 0 FCAEHM COC(=O)[C@@H](C)Oc1ccc(NC(=O)NN2CC(=O)[N-]C2=O)cc1F ZINC000861489001 671966274 /nfs/dbraw/zinc/96/62/74/671966274.db2.gz HJRIYGOLEJQZOY-SSDOTTSWSA-N -1 3 354.294 0.354 10 0 FCAEHM Cc1nc(CNC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)no1 ZINC000118647084 672012660 /nfs/dbraw/zinc/01/26/60/672012660.db2.gz BLIBZFPFGDWTEI-UHFFFAOYSA-N -1 3 354.363 0.888 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](O)[C@@H]2CCCO2)ccc1F ZINC000862652337 672062703 /nfs/dbraw/zinc/06/27/03/672062703.db2.gz XKGJBCFYAIWLJH-KBPBESRZSA-N -1 3 374.434 0.782 10 0 FCAEHM Cn1cc(C(F)F)c(C[N-]C(=O)C(F)(F)C(=O)N2CCOCC2)n1 ZINC000866148170 672264286 /nfs/dbraw/zinc/26/42/86/672264286.db2.gz RGUZCGLVDAMZBL-UHFFFAOYSA-N -1 3 352.288 0.468 10 0 FCAEHM CC(C)OC(=O)CC[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000866430102 672273042 /nfs/dbraw/zinc/27/30/42/672273042.db2.gz NGSNCVNBBCCUEJ-UHFFFAOYSA-N -1 3 354.226 0.803 10 0 FCAEHM CC[S@](C)(=O)=NS(=O)(=O)[N-]C[C@H]1CCN(CC(F)(F)F)C1 ZINC000866708102 672290229 /nfs/dbraw/zinc/29/02/29/672290229.db2.gz CWTFUFVQZRRCML-YBYGRFCBSA-N -1 3 351.416 0.823 10 0 FCAEHM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@@H]1CNCCO1)c1cc(F)ccc1F ZINC000866748408 672297294 /nfs/dbraw/zinc/29/72/94/672297294.db2.gz PVWQEOZSLPKRNP-GWCFXTLKSA-N -1 3 364.370 0.087 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@@H]2CCCS(=O)(=O)C2)c(Br)n1 ZINC000866775355 672303380 /nfs/dbraw/zinc/30/33/80/672303380.db2.gz BGLVMTLXQKFIOR-SSDOTTSWSA-N -1 3 372.266 0.038 10 0 FCAEHM CC(C)COC[C@@H](O)C[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000866832396 672315558 /nfs/dbraw/zinc/31/55/58/672315558.db2.gz AZLUPZARJPNPEZ-VIFPVBQESA-N -1 3 370.269 0.494 10 0 FCAEHM CO[C@@H](C[N-]S(=O)(=O)c1cn(C)nc1Br)[C@H]1CCOC1 ZINC000867496844 672326062 /nfs/dbraw/zinc/32/60/62/672326062.db2.gz IRWCZFNSWQPATH-IUCAKERBSA-N -1 3 368.253 0.512 10 0 FCAEHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cnn(C)c2Br)c2ncnn21 ZINC000867497573 672326472 /nfs/dbraw/zinc/32/64/72/672326472.db2.gz BOQMRLVLQLIBMW-NKWVEPMBSA-N -1 3 361.225 0.758 10 0 FCAEHM COC(=O)N(C)CC[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867519194 672329959 /nfs/dbraw/zinc/32/99/59/672329959.db2.gz OCPREJWBBALKSJ-UHFFFAOYSA-N -1 3 355.214 0.159 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-]Cc2c[nH]cn2)c1I ZINC000867551614 672335696 /nfs/dbraw/zinc/33/56/96/672335696.db2.gz UKSBLMQBBLPHGK-UHFFFAOYSA-N -1 3 367.172 0.226 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-]C[C@H]2C[C@@H](O)C2)c1I ZINC000867565743 672338240 /nfs/dbraw/zinc/33/82/40/672338240.db2.gz YRMUCEPGKSBBLC-KNVOCYPGSA-N -1 3 371.200 0.074 10 0 FCAEHM COC(=O)[C@@H](CCC1OCCO1)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000867761652 672364368 /nfs/dbraw/zinc/36/43/68/672364368.db2.gz ORRDWXZQYMWUJN-LLVKDONJSA-N -1 3 365.354 0.938 10 0 FCAEHM CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000868335357 672394223 /nfs/dbraw/zinc/39/42/23/672394223.db2.gz CSVKJEVYPGUHNG-CYBMUJFWSA-N -1 3 351.403 0.493 10 0 FCAEHM Cn1cc(C(C)(C)[N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)nn1 ZINC000872006382 672593616 /nfs/dbraw/zinc/59/36/16/672593616.db2.gz FDQYNLNXLOTNKX-UHFFFAOYSA-N -1 3 352.342 0.781 10 0 FCAEHM Cn1[n-]c(CN[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccncc2)C2CC2)nc1=O ZINC001266409781 1168404299 /nfs/dbraw/zinc/40/42/99/1168404299.db2.gz QTFGYHBDDIOJGZ-ZNMIVQPWSA-N -1 3 356.430 0.292 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)c2cccc3n[n-]nc32)CCN1C(=O)CCCC(N)=O ZINC001719616464 1170396443 /nfs/dbraw/zinc/39/64/43/1170396443.db2.gz MAXLYMGEFQZSPY-PWSUYJOCSA-N -1 3 358.402 0.333 10 0 FCAEHM C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)NCc1cc(=O)n2[n-]ccc2n1 ZINC001266954555 1171071442 /nfs/dbraw/zinc/07/14/42/1171071442.db2.gz VAKHRQBCASNVDL-MYLCLEHYSA-N -1 3 359.430 0.432 10 0 FCAEHM CCOCCC(=O)N1C[C@@H]2CN(C(=O)c3c(C)nc[n-]c3=O)C[C@]2(C)C1 ZINC001719689634 1179400769 /nfs/dbraw/zinc/40/07/69/1179400769.db2.gz ZJBJWQSVPMFMJX-ACJLOTCBSA-N -1 3 362.430 0.838 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1CNC(=O)C(=O)NCC1CC1 ZINC001719731237 1179824958 /nfs/dbraw/zinc/82/49/58/1179824958.db2.gz ZCWBBCYHGQHJQU-TZMCWYRMSA-N -1 3 359.426 0.743 10 0 FCAEHM Cn1cc(Br)c(C[N-]S(=O)(=O)c2ccc(C#N)nc2)n1 ZINC000393631549 1180849136 /nfs/dbraw/zinc/84/91/36/1180849136.db2.gz LDQMGKBTPPPBAF-UHFFFAOYSA-N -1 3 356.205 0.928 10 0 FCAEHM Cn1[n-]c(CN2CC[C@H](CCNC(=O)[C@@H]3C[C@H]3c3ccncc3)C2)nc1=O ZINC001267559484 1181814257 /nfs/dbraw/zinc/81/42/57/1181814257.db2.gz VSNJHWHBRKJTFV-CWRNSKLLSA-N -1 3 370.457 0.635 10 0 FCAEHM CC(C)[C@@H](CNC(=O)c1cnc[n-]c1=O)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001746821621 1181980383 /nfs/dbraw/zinc/98/03/83/1181980383.db2.gz VCWARDMXRDNHPT-JLSALUQPSA-N -1 3 360.414 0.476 10 0 FCAEHM CC[C@H](CNC(=O)[C@@H]1CCO[C@H]1CC)NCc1cc(=O)n2[n-]ccc2n1 ZINC001269441762 1187849328 /nfs/dbraw/zinc/84/93/28/1187849328.db2.gz AGFOBVHPNLAXPD-YUELXQCFSA-N -1 3 361.446 0.822 10 0 FCAEHM C[C@@H]1CN(CCNC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)[C@@H](C)CO1 ZINC001687391236 1188352648 /nfs/dbraw/zinc/35/26/48/1188352648.db2.gz WDSCAEWZUBMXGU-NWDGAFQWSA-N -1 3 365.434 0.163 10 0 FCAEHM CC1(C)C(=O)NC(=O)N1CC(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000783689421 1190899817 /nfs/dbraw/zinc/89/98/17/1190899817.db2.gz CRDASLXBCWKMOC-UHFFFAOYSA-N -1 3 360.326 0.816 10 0 FCAEHM Cn1ccnc1CN1CCN(C(=O)CNC(=O)c2ccc([O-])cc2)CC1 ZINC000592315019 1196557284 /nfs/dbraw/zinc/55/72/84/1196557284.db2.gz YORMWLYZLLLDEW-UHFFFAOYSA-N -1 3 357.414 0.200 10 0 FCAEHM CC(C)(C)OC(=O)Cn1cnc([N-]C(=O)c2ncn(-c3ccccc3)n2)n1 ZINC000592655386 1196572531 /nfs/dbraw/zinc/57/25/31/1196572531.db2.gz YYIVHZMVBZSWGI-UHFFFAOYSA-N -1 3 369.385 1.453 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)COc2ccc3ccc(=O)oc3c2)[n-]1 ZINC000787905429 1200917265 /nfs/dbraw/zinc/91/72/65/1200917265.db2.gz GFODJZWFJQUALB-UHFFFAOYSA-N -1 3 372.337 0.783 10 0 FCAEHM CNC(=O)[C@@H]1CCN(C(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])C1 ZINC000817641623 1203110813 /nfs/dbraw/zinc/11/08/13/1203110813.db2.gz YOWZDFKZVDUGOA-SNVBAGLBSA-N -1 3 360.345 0.082 10 0 FCAEHM CNC(=O)[C@@H]1CCN(C(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)C1 ZINC000817641623 1203110816 /nfs/dbraw/zinc/11/08/16/1203110816.db2.gz YOWZDFKZVDUGOA-SNVBAGLBSA-N -1 3 360.345 0.082 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC001144227278 1204438353 /nfs/dbraw/zinc/43/83/53/1204438353.db2.gz SOEOROWZUDPBRQ-FZKQIMNGSA-N -1 3 371.397 0.082 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@]1(C)C[C@H](O)CN1C(=O)OC(C)(C)C ZINC001144233342 1204438830 /nfs/dbraw/zinc/43/88/30/1204438830.db2.gz XWRYHPJYMRKRPF-JKDFXYPNSA-N -1 3 368.434 0.375 10 0 FCAEHM C[C@H](C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001144502314 1204542337 /nfs/dbraw/zinc/54/23/37/1204542337.db2.gz JIGPUZBIOZNUMS-LPWJVIDDSA-N -1 3 360.414 0.995 10 0 FCAEHM COc1ccc(C(=O)NCC(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)cc1OC ZINC001144502672 1204542456 /nfs/dbraw/zinc/54/24/56/1204542456.db2.gz NKDQVYONRJHPEL-GFCCVEGCSA-N -1 3 374.397 0.878 10 0 FCAEHM COC(=O)Cc1n[n-]c(NC(=O)[C@]2(C)Cc3ccc(C)cc3C(=O)O2)n1 ZINC001147683786 1204803869 /nfs/dbraw/zinc/80/38/69/1204803869.db2.gz MPXFPYCYQCKTPY-KRWDZBQOSA-N -1 3 358.354 0.939 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)[C@]2(C)Cc3ccc(C)cc3C(=O)O2)n[n-]1 ZINC001147683786 1204803870 /nfs/dbraw/zinc/80/38/70/1204803870.db2.gz MPXFPYCYQCKTPY-KRWDZBQOSA-N -1 3 358.354 0.939 10 0 FCAEHM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1ccnc(-n2ccnc2)c1 ZINC001175215274 1206301794 /nfs/dbraw/zinc/30/17/94/1206301794.db2.gz ZAXHYZOKQJCXKL-UHFFFAOYSA-N -1 3 352.354 0.766 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)Cc3nnn(C(C)(C)C)n3)CC2)n1 ZINC001178043669 1206352174 /nfs/dbraw/zinc/35/21/74/1206352174.db2.gz UNXQPQKEHWPPKB-UHFFFAOYSA-N -1 3 360.422 0.123 10 0 FCAEHM CNC(=O)Nc1cccc(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)c1 ZINC001180027179 1206388091 /nfs/dbraw/zinc/38/80/91/1206388091.db2.gz FYUZXJXZKXSVRC-CYBMUJFWSA-N -1 3 356.386 0.942 10 0 FCAEHM O=C(CC(F)(F)C(F)F)N1C[C@@H](O)[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001489294190 1208724481 /nfs/dbraw/zinc/72/44/81/1208724481.db2.gz NKTOORKTNUTHIK-MWLCHTKSSA-N -1 3 364.295 0.984 10 0 FCAEHM CCC[C@@H](C)C(=O)N[C@@H]1CN(C(=O)Cc2c(C)nc(C)[n-]c2=O)C[C@H]1O ZINC001489315229 1208760522 /nfs/dbraw/zinc/76/05/22/1208760522.db2.gz RDDVMMXDZQEWMB-VCTAVGKDSA-N -1 3 364.446 0.466 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@@H]1CN(C(=O)c2ccncn2)C[C@H]1C ZINC001489469047 1208851312 /nfs/dbraw/zinc/85/13/12/1208851312.db2.gz CWGASZLWXUGGHL-IAQYHMDHSA-N -1 3 370.413 0.490 10 0 FCAEHM CC(C)CO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@@H]1O ZINC001489560772 1208928139 /nfs/dbraw/zinc/92/81/39/1208928139.db2.gz TVRDUXXTHNALHY-BJJXKVORSA-N -1 3 350.415 0.755 10 0 FCAEHM CC(C)C[C@H](C)CC(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1 ZINC001489594429 1209017582 /nfs/dbraw/zinc/01/75/82/1209017582.db2.gz ULBAUGNWWXLMFV-YUTCNCBUSA-N -1 3 350.419 0.556 10 0 FCAEHM CN(CC(=O)NC[C@H]1CC[C@@H](NC(=O)c2cn[n-]n2)C1)c1ccccc1 ZINC001489886829 1209106550 /nfs/dbraw/zinc/10/65/50/1209106550.db2.gz DGTGDNQHZYDRKG-UONOGXRCSA-N -1 3 356.430 0.956 10 0 FCAEHM CCO[C@@H]1CN(C(=O)C[C@@H](C)OC)C[C@H]1CNC(=O)c1cnc[n-]c1=O ZINC001489926165 1209158121 /nfs/dbraw/zinc/15/81/21/1209158121.db2.gz JOTBSBJWOBUMSF-YRGRVCCFSA-N -1 3 366.418 0.201 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)NCc1cc(=O)[n-]c(CNC(=O)C(C)(C)F)n1 ZINC001489972905 1209185863 /nfs/dbraw/zinc/18/58/63/1209185863.db2.gz BWUQKUQEGWQSIL-YGRLFVJLSA-N -1 3 368.409 0.978 10 0 FCAEHM COCCCC(=O)NC[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1C ZINC001490265924 1209305963 /nfs/dbraw/zinc/30/59/63/1209305963.db2.gz FBPIFDKLYATKSM-DGCLKSJQSA-N -1 3 350.419 0.742 10 0 FCAEHM CCO[C@H](C)C(=O)NC[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1C ZINC001490266819 1209307007 /nfs/dbraw/zinc/30/70/07/1209307007.db2.gz IPKOCGAMAUMEEU-RAIGVLPGSA-N -1 3 350.419 0.740 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1CNC(=O)C[C@H]1CCNC1=O ZINC001490314693 1209313428 /nfs/dbraw/zinc/31/34/28/1209313428.db2.gz SKSKZCGTLDARIA-MGPQQGTHSA-N -1 3 359.426 0.743 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC(F)F)C2 ZINC001490662575 1209406939 /nfs/dbraw/zinc/40/69/39/1209406939.db2.gz NHDFUWLIFBDCLA-VWYCJHECSA-N -1 3 370.356 0.634 10 0 FCAEHM O=C(N[C@@H]1C[C@@H](O)C12CCC2)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC000855921315 1209686783 /nfs/dbraw/zinc/68/67/83/1209686783.db2.gz VFEMOQUWJADMKZ-ZIAGYGMSSA-N -1 3 359.357 0.907 10 0 FCAEHM O=C(N[C@@H]1C[C@@H](O)C12CCC2)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000855921315 1209686785 /nfs/dbraw/zinc/68/67/85/1209686785.db2.gz VFEMOQUWJADMKZ-ZIAGYGMSSA-N -1 3 359.357 0.907 10 0 FCAEHM COc1nnc(NC(=O)[C@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)[n-]1 ZINC000860535462 1209851147 /nfs/dbraw/zinc/85/11/47/1209851147.db2.gz NCDGIQHPHBZDRS-VIFPVBQESA-N -1 3 368.394 0.220 10 0 FCAEHM COc1nc(NC(=O)[C@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)n[n-]1 ZINC000860535462 1209851148 /nfs/dbraw/zinc/85/11/48/1209851148.db2.gz NCDGIQHPHBZDRS-VIFPVBQESA-N -1 3 368.394 0.220 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)n1 ZINC000860535462 1209851152 /nfs/dbraw/zinc/85/11/52/1209851152.db2.gz NCDGIQHPHBZDRS-VIFPVBQESA-N -1 3 368.394 0.220 10 0 FCAEHM O=C(NC[C@H](O)[C@H]1CCCO1)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC000862652735 1209919779 /nfs/dbraw/zinc/91/97/79/1209919779.db2.gz BOFQHPMYVNTWGC-UONOGXRCSA-N -1 3 363.345 0.144 10 0 FCAEHM O=C(NC[C@H](O)[C@H]1CCCO1)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000862652735 1209919782 /nfs/dbraw/zinc/91/97/82/1209919782.db2.gz BOFQHPMYVNTWGC-UONOGXRCSA-N -1 3 363.345 0.144 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000863734482 1209949057 /nfs/dbraw/zinc/94/90/57/1209949057.db2.gz RLHCOVPJQVFCNI-MNRXQERYSA-N -1 3 359.357 0.859 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c([O-])cc1=O)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000863734482 1209949059 /nfs/dbraw/zinc/94/90/59/1209949059.db2.gz RLHCOVPJQVFCNI-MNRXQERYSA-N -1 3 359.357 0.859 10 0 FCAEHM COc1cc(C(=O)N2CCO[C@H](CN3CCOCC3)C2)cc(OC)c1[O-] ZINC000870064534 1210103528 /nfs/dbraw/zinc/10/35/28/1210103528.db2.gz ASZINLPQIDJKHF-CQSZACIVSA-N -1 3 366.414 0.583 10 0 FCAEHM CCOc1nnc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(OC)cc2)[n-]1 ZINC001649165701 1210543828 /nfs/dbraw/zinc/54/38/28/1210543828.db2.gz ZNFDCSZVDRQZCK-VIFPVBQESA-N -1 3 369.403 0.518 10 0 FCAEHM CCOc1nc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(OC)cc2)n[n-]1 ZINC001649165701 1210543832 /nfs/dbraw/zinc/54/38/32/1210543832.db2.gz ZNFDCSZVDRQZCK-VIFPVBQESA-N -1 3 369.403 0.518 10 0 FCAEHM CCOc1n[n-]c(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(OC)cc2)n1 ZINC001649165701 1210543836 /nfs/dbraw/zinc/54/38/36/1210543836.db2.gz ZNFDCSZVDRQZCK-VIFPVBQESA-N -1 3 369.403 0.518 10 0 FCAEHM CCOCCOCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc[n-]c1=O)C2 ZINC001490823583 1211409471 /nfs/dbraw/zinc/40/94/71/1211409471.db2.gz ORWIVRMTGNDSSR-BNOWGMLFSA-N -1 3 364.402 0.097 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)[C@H]3CCCN3C(=O)C(C)C)CC2)n1 ZINC000924300569 1211466332 /nfs/dbraw/zinc/46/63/32/1211466332.db2.gz FGXPOEDYDIFMJQ-CQSZACIVSA-N -1 3 361.446 0.786 10 0 FCAEHM CN(C)CC(=O)N1CCN(C(=O)c2c([O-])cnc3c(F)cccc32)CC1 ZINC000900171148 1217966127 /nfs/dbraw/zinc/96/61/27/1217966127.db2.gz HBVHUAQYOCBSQK-UHFFFAOYSA-N -1 3 360.389 0.926 10 0 FCAEHM O=C(NCc1nc(C(F)(F)F)n[n-]1)C(=O)N[C@@H]1CNc2ccccc2C1 ZINC001118327769 1221760367 /nfs/dbraw/zinc/76/03/67/1221760367.db2.gz DSRMHDYRFWLSTC-VIFPVBQESA-N -1 3 368.319 0.593 10 0 FCAEHM CC(C)c1cc(N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)n2ncnc2n1 ZINC001118951444 1221849758 /nfs/dbraw/zinc/84/97/58/1221849758.db2.gz BAVJCHWZHLYJNS-QGZVFWFLSA-N -1 3 360.418 0.613 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CC[C@H](NC(=O)[C@H]3CCCN(C4CC4)C3=O)C2)n1 ZINC001123915051 1222366362 /nfs/dbraw/zinc/36/63/62/1222366362.db2.gz RYXOYWXCWKDYBW-GXTWGEPZSA-N -1 3 359.430 0.587 10 0 FCAEHM COc1nnc(NC(=O)[C@H]2COCCN2C(=O)OCc2ccccc2)[n-]1 ZINC000828263957 1222398864 /nfs/dbraw/zinc/39/88/64/1222398864.db2.gz QULQNIJXCOBKKQ-GFCCVEGCSA-N -1 3 361.358 0.789 10 0 FCAEHM COc1nc(NC(=O)[C@H]2COCCN2C(=O)OCc2ccccc2)n[n-]1 ZINC000828263957 1222398866 /nfs/dbraw/zinc/39/88/66/1222398866.db2.gz QULQNIJXCOBKKQ-GFCCVEGCSA-N -1 3 361.358 0.789 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@H]2COCCN2C(=O)OCc2ccccc2)n1 ZINC000828263957 1222398868 /nfs/dbraw/zinc/39/88/68/1222398868.db2.gz QULQNIJXCOBKKQ-GFCCVEGCSA-N -1 3 361.358 0.789 10 0 FCAEHM O=C(c1ccc(NC2=NCCC2)cc1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC001138991989 1222534626 /nfs/dbraw/zinc/53/46/26/1222534626.db2.gz WGTLFCNLYVWPFE-UHFFFAOYSA-N -1 3 355.402 0.928 10 0 FCAEHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC(=O)N[C@H](C)C2)c1 ZINC001141072347 1222630919 /nfs/dbraw/zinc/63/09/19/1222630919.db2.gz AYXATMCMRWSWDO-SECBINFHSA-N -1 3 358.354 0.901 10 0 FCAEHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)[C@@H]1C[C@@H](O)CN1c1ccncn1 ZINC001142020080 1222803166 /nfs/dbraw/zinc/80/31/66/1222803166.db2.gz WUZYYAJQEVWWFC-MFKMUULPSA-N -1 3 370.348 0.374 10 0 FCAEHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)[C@@H]1C[C@@H](O)CN1c1ccncn1 ZINC001142020080 1222803167 /nfs/dbraw/zinc/80/31/67/1222803167.db2.gz WUZYYAJQEVWWFC-MFKMUULPSA-N -1 3 370.348 0.374 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC001149264004 1222881237 /nfs/dbraw/zinc/88/12/37/1222881237.db2.gz YJMUZPFFNOHSIX-CABCVRRESA-N -1 3 357.414 0.562 10 0 FCAEHM CCOC(=O)c1cnn2c1nccc2C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001164320461 1223237506 /nfs/dbraw/zinc/23/75/06/1223237506.db2.gz BRGQAASCKDMHDG-JTQLQIEISA-N -1 3 370.369 0.964 10 0 FCAEHM Cc1ccc(-n2[n-]c(C(=O)NCCN(C)CCOCCO)cc2=O)cc1 ZINC000922119277 1245659400 /nfs/dbraw/zinc/65/94/00/1245659400.db2.gz NDSYSUUBCKQTPC-UHFFFAOYSA-N -1 3 362.430 0.145 10 0 FCAEHM O=C(c1cnc[n-]c1=O)N1CCCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 ZINC000941421493 1246616210 /nfs/dbraw/zinc/61/62/10/1246616210.db2.gz BOXHIQNJEMSFKO-KCQAQPDRSA-N -1 3 360.414 0.672 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC000941480850 1246644885 /nfs/dbraw/zinc/64/48/85/1246644885.db2.gz NUQZWLXYHIZUOI-CHWSQXEVSA-N -1 3 370.413 0.692 10 0 FCAEHM CO[C@@H](C)CC(=O)N[C@@H]1CC[C@H](CNC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001515133382 1265441550 /nfs/dbraw/zinc/44/15/50/1265441550.db2.gz GBVFBZIKSNSGOJ-WCFLWFBJSA-N -1 3 350.419 0.930 10 0 FCAEHM COC(=O)Cc1n[n-]c(NC(=O)c2c(C)nn(C3CCOCC3)c2C)n1 ZINC001327966321 1265464036 /nfs/dbraw/zinc/46/40/36/1265464036.db2.gz AFAGACKOFISZNC-UHFFFAOYSA-N -1 3 362.390 0.937 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)c2c(C)nn(C3CCOCC3)c2C)n[n-]1 ZINC001327966321 1265464042 /nfs/dbraw/zinc/46/40/42/1265464042.db2.gz AFAGACKOFISZNC-UHFFFAOYSA-N -1 3 362.390 0.937 10 0 FCAEHM Cc1noc(C)c1CCCNC(=O)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC001328921477 1265653583 /nfs/dbraw/zinc/65/35/83/1265653583.db2.gz CWEPFQMMNCKGLA-UHFFFAOYSA-N -1 3 374.323 0.794 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 ZINC001518775579 1265680384 /nfs/dbraw/zinc/68/03/84/1265680384.db2.gz UROUJZAMASXJGT-INIZCTEOSA-N -1 3 373.409 0.980 10 0 FCAEHM C[C@@H]1CCN(CC(=O)N2CCN(C(=O)c3ccco3)CC2)C[C@H]1C(=O)[O-] ZINC001329419953 1265754198 /nfs/dbraw/zinc/75/41/98/1265754198.db2.gz KBTWLHFGZSVPNT-ZIAGYGMSSA-N -1 3 363.414 0.607 10 0 FCAEHM O=C(CC1(N2CCOCC2)CCCC1)NC[C@@H](C(=O)[O-])[C@@H]1CCOC1 ZINC001520198936 1265876954 /nfs/dbraw/zinc/87/69/54/1265876954.db2.gz FYRUOUOZWZYZPR-HUUCEWRRSA-N -1 3 354.447 0.875 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)c2ccccc2[O-])CCN1C(=O)CCS(C)(=O)=O ZINC001520515141 1265928061 /nfs/dbraw/zinc/92/80/61/1265928061.db2.gz KDEGVODIVLVFSZ-YPMHNXCESA-N -1 3 354.428 0.546 10 0 FCAEHM CCOCCOCC(=O)N[C@H]1CCN(C(=O)c2c(C)nc[n-]c2=O)[C@@H]1C ZINC001520785085 1265998809 /nfs/dbraw/zinc/99/88/09/1265998809.db2.gz NOSJZLCHYQBJHA-OLZOCXBDSA-N -1 3 366.418 0.263 10 0 FCAEHM C[C@H](NC(N)=O)C(=O)N1C[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@]2(C)C1 ZINC001521529396 1266132440 /nfs/dbraw/zinc/13/24/40/1266132440.db2.gz ABNJKZGMYWYVCR-IUUKEHGRSA-N -1 3 360.414 0.370 10 0 FCAEHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)CN1CCCCC(=O)C1=O ZINC001128210041 1259194420 /nfs/dbraw/zinc/19/44/20/1259194420.db2.gz OXLPDMCVHCIGAN-UHFFFAOYSA-N -1 3 365.342 0.108 10 0 FCAEHM CO[C@H](C)CC(=O)N1C[C@@H](CNC(=O)c2c(C)nc[n-]c2=O)[C@H](C)C1 ZINC001521941671 1266245004 /nfs/dbraw/zinc/24/50/04/1266245004.db2.gz DDOOFZWFEIZAAW-NQBHXWOUSA-N -1 3 350.419 0.740 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CCNC(=O)COCC1CC1 ZINC001521974078 1266267750 /nfs/dbraw/zinc/26/77/50/1266267750.db2.gz QKNUAZLMVNMWFK-TZMCWYRMSA-N -1 3 362.430 0.823 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CCNC(=O)C[C@H]1CCCO1 ZINC001521974113 1266269179 /nfs/dbraw/zinc/26/91/79/1266269179.db2.gz QULYZWCRKOOGMN-MGPQQGTHSA-N -1 3 362.430 0.966 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CCNC(=O)c1ccnn1C ZINC001521978774 1266271787 /nfs/dbraw/zinc/27/17/87/1266271787.db2.gz IBSRTPYAVHPNMS-VXGBXAGGSA-N -1 3 358.402 0.444 10 0 FCAEHM C[C@@H]1CN(C(=O)c2n[nH]cc2F)C[C@H]1CCNC(=O)c1cnc[n-]c1=O ZINC001522004394 1266291954 /nfs/dbraw/zinc/29/19/54/1266291954.db2.gz PZLQZKPOGSJFBH-NXEZZACHSA-N -1 3 362.365 0.573 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001522020824 1266304729 /nfs/dbraw/zinc/30/47/29/1266304729.db2.gz VRKCNFCBIVOWAR-YXRJLALLSA-N -1 3 360.414 0.289 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)N(C)CCOCCNC(=O)c1c(C)nc[n-]c1=O ZINC001336655349 1260194018 /nfs/dbraw/zinc/19/40/18/1260194018.db2.gz WYELNPHNVANOGV-CHWSQXEVSA-N -1 3 350.419 0.742 10 0 FCAEHM O=C(C[C@@H]1C[C@H]1C1CC1)NC[C@H](O)CNCc1cc(=O)n2[n-]ccc2n1 ZINC001268314800 1260425321 /nfs/dbraw/zinc/42/53/21/1260425321.db2.gz POZHCZFDDCEQKC-CFVMTHIKSA-N -1 3 359.430 0.026 10 0 FCAEHM CC1(C)[C@H](C(=O)NC[C@H](CO)NC(=O)c2cn[n-]n2)[C@H]1c1ccccc1 ZINC001337676796 1260457257 /nfs/dbraw/zinc/45/72/57/1260457257.db2.gz YWYKGHYOACRKDD-YUELXQCFSA-N -1 3 357.414 0.451 10 0 FCAEHM C[C@]1(c2ccccc2)C[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1cnc[n-]c1=O ZINC001337781480 1260483677 /nfs/dbraw/zinc/48/36/77/1260483677.db2.gz UPQWQFXNQRTMSR-ZUEVXXBESA-N -1 3 370.409 0.367 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@H](CO)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001337792825 1260486597 /nfs/dbraw/zinc/48/65/97/1260486597.db2.gz GRHMGHIAHSXKPL-RFQIPJPRSA-N -1 3 362.430 0.524 10 0 FCAEHM COC(=O)[C@]1(N2CCN(C(=O)c3c([O-])cccc3OC)CC2)CCOC1 ZINC001332213530 1266358807 /nfs/dbraw/zinc/35/88/07/1266358807.db2.gz VSAWJEUMUFSQNK-SFHVURJKSA-N -1 3 364.398 0.491 10 0 FCAEHM CC[C@@H](C)OCC(=O)N1C[C@H]2CCN(C(=O)c3c(C)nc[n-]c3=O)C[C@H]21 ZINC001281954498 1261307287 /nfs/dbraw/zinc/30/72/87/1261307287.db2.gz QJNWOGAZUJKCCF-MRVWCRGKSA-N -1 3 362.430 0.979 10 0 FCAEHM Cc1c(CCC(=O)NC[C@H]2CC[C@@H](NC(=O)c3cn[n-]n3)C2)cnn1C ZINC001282122066 1261346982 /nfs/dbraw/zinc/34/69/82/1261346982.db2.gz BTFCOGJPKVGWKE-GXTWGEPZSA-N -1 3 359.434 0.494 10 0 FCAEHM C[C@@H]1CCN(C(=O)c2cnc[n-]c2=O)[C@H](CNC(=O)CCCC(N)=O)C1 ZINC001282207634 1261381473 /nfs/dbraw/zinc/38/14/73/1261381473.db2.gz WNXXJNHTJCVGKD-NEPJUHHUSA-N -1 3 363.418 0.195 10 0 FCAEHM CCOCCC(=O)N[C@H]1CCN(C(=O)CCc2c(C)nc[n-]c2=O)[C@@H]1C ZINC001282332486 1261414895 /nfs/dbraw/zinc/41/48/95/1261414895.db2.gz TZPUBZFBAKKNBV-HIFRSBDPSA-N -1 3 364.446 0.955 10 0 FCAEHM CS(C)(=O)=NCC1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001471978643 1261421891 /nfs/dbraw/zinc/42/18/91/1261421891.db2.gz LUONHAWHMMHACH-UHFFFAOYSA-N -1 3 363.447 0.842 10 0 FCAEHM CS(C)(=O)=NCC1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001471978643 1261421893 /nfs/dbraw/zinc/42/18/93/1261421893.db2.gz LUONHAWHMMHACH-UHFFFAOYSA-N -1 3 363.447 0.842 10 0 FCAEHM Cc1cc(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)c(C)n1NC(N)=O ZINC001472254511 1261455194 /nfs/dbraw/zinc/45/51/94/1261455194.db2.gz UFVOGRUSQNFLRH-NSHDSACASA-N -1 3 359.390 0.231 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccc(-n2ccnc2)nn1 ZINC001472253750 1261455459 /nfs/dbraw/zinc/45/54/59/1261455459.db2.gz XWBLXYKASSHMBG-NSHDSACASA-N -1 3 352.358 0.167 10 0 FCAEHM CO[C@@H]1CCn2cc(C(=O)N[C@H]3CCN(c4cc(=O)[n-]cn4)C3)nc2C1 ZINC001472254061 1261455868 /nfs/dbraw/zinc/45/58/68/1261455868.db2.gz IFTRZLSGIAYGPP-NWDGAFQWSA-N -1 3 358.402 0.349 10 0 FCAEHM CC(C)NC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001472254634 1261455925 /nfs/dbraw/zinc/45/59/25/1261455925.db2.gz XJABHXFJSZQLCT-OLZOCXBDSA-N -1 3 362.434 0.460 10 0 FCAEHM CC(C)NC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001472254635 1261456010 /nfs/dbraw/zinc/45/60/10/1261456010.db2.gz XJABHXFJSZQLCT-STQMWFEESA-N -1 3 362.434 0.460 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C[C@@](O)(c1nccn1C)C(F)(F)F ZINC001472507315 1261472214 /nfs/dbraw/zinc/47/22/14/1261472214.db2.gz XPSOFFMLQKCLNC-NOZJJQNGSA-N -1 3 361.324 0.188 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N[C@H](c1ncccn1)C1CC1 ZINC001472622067 1261480474 /nfs/dbraw/zinc/48/04/74/1261480474.db2.gz GQZFYNIBXSXEGM-ZDUSSCGKSA-N -1 3 365.415 0.627 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1CCNC(=O)Cn1cnnn1 ZINC001282521101 1261502576 /nfs/dbraw/zinc/50/25/76/1261502576.db2.gz GPNHOWZMMLTVNZ-CHWSQXEVSA-N -1 3 358.402 0.293 10 0 FCAEHM O=C(CCc1ncccn1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O ZINC001522201416 1266414436 /nfs/dbraw/zinc/41/44/36/1266414436.db2.gz ADIKRCINLZIPAA-XBFCOCLRSA-N -1 3 368.397 0.467 10 0 FCAEHM O=C(Cc1c[nH]cn1)NC[C@]12CCC[C@H]1N(C(=O)c1cnc[n-]c1=O)CC2 ZINC001282585170 1261542768 /nfs/dbraw/zinc/54/27/68/1261542768.db2.gz ZGPXHNQPYJDVIT-RDTXWAMCSA-N -1 3 370.413 0.649 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)NCCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001283295533 1261676055 /nfs/dbraw/zinc/67/60/55/1261676055.db2.gz QLPGYHZTBHJDMP-YUELXQCFSA-N -1 3 362.430 0.613 10 0 FCAEHM CC[C@H](CNC(=O)[C@]12C[C@H]1COC2)NC(=O)c1nnc2ccccc2c1[O-] ZINC001285062133 1261806967 /nfs/dbraw/zinc/80/69/67/1261806967.db2.gz MEUOTWKJTIHADY-CRTZDJKQSA-N -1 3 370.409 0.997 10 0 FCAEHM C[C@@](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)(NC(=O)c1cnc[n-]c1=O)C1CC1 ZINC001285145290 1261816494 /nfs/dbraw/zinc/81/64/94/1261816494.db2.gz PFYGJWUWIMHJFY-QDTBLXIISA-N -1 3 360.414 0.764 10 0 FCAEHM O=C(NCC=CCNC(=O)[C@]12C[C@H]1COC2)c1nnc2ccccc2c1[O-] ZINC001285563185 1261852583 /nfs/dbraw/zinc/85/25/83/1261852583.db2.gz JODVHLRWDCLOGB-NRQGZAADSA-N -1 3 368.393 0.774 10 0 FCAEHM O=C(C[C@@H]1C[C@H]1C1CC1)NC1(CCO)CN(C(=O)c2cnc[n-]c2=O)C1 ZINC001285955041 1261897214 /nfs/dbraw/zinc/89/72/14/1261897214.db2.gz HLVGNMFTALYOGS-STQMWFEESA-N -1 3 360.414 0.312 10 0 FCAEHM CN(C[C@H](O)CNC(=O)c1cccc2n[n-]nc21)C(=O)[C@]12C[C@H]1CCC2 ZINC001288114195 1262001753 /nfs/dbraw/zinc/00/17/53/1262001753.db2.gz ZXJVUXWWCGLXNP-SEDUGSJDSA-N -1 3 357.414 0.697 10 0 FCAEHM CC(=O)CCCC(=O)N1CC[C@H]2CN(C(=O)c3c(C)nc[n-]c3=O)C[C@H]21 ZINC001288909910 1262038208 /nfs/dbraw/zinc/03/82/08/1262038208.db2.gz UJOKGPUDXBNBDV-UONOGXRCSA-N -1 3 360.414 0.923 10 0 FCAEHM O=C(CCc1c[nH]cn1)NC[C@H]1CC[C@@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001290156435 1262391804 /nfs/dbraw/zinc/39/18/04/1262391804.db2.gz YMWQRQOKUYKYJE-NWDGAFQWSA-N -1 3 358.402 0.553 10 0 FCAEHM CC(F)(F)CC(=O)NCc1nc(CNC(=O)[C@]23C[C@H]2COC3)cc(=O)[n-]1 ZINC001290364290 1262433111 /nfs/dbraw/zinc/43/31/11/1262433111.db2.gz KRWHTUPIQQIEAX-FVMDXXJSSA-N -1 3 370.356 0.496 10 0 FCAEHM C[C@@H](CC(N)=O)C(=O)N1C[C@H]2CN(C(=O)c3ccccc3[O-])C[C@@]2(C)C1 ZINC001290842339 1262518451 /nfs/dbraw/zinc/51/84/51/1262518451.db2.gz GZGWAEPSFYWXEX-WTOJCKNJSA-N -1 3 359.426 0.824 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(=O)C(C)(C)C)C2 ZINC001291824656 1262594936 /nfs/dbraw/zinc/59/49/36/1262594936.db2.gz AIEFYLTWFSLBFT-WOPDTQHZSA-N -1 3 360.414 0.968 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)c1 ZINC001293806655 1262722043 /nfs/dbraw/zinc/72/20/43/1262722043.db2.gz MOYURKXHHOXLHF-UHFFFAOYSA-N -1 3 372.381 0.673 10 0 FCAEHM COC(=O)Cc1n[n-]c(NC(=O)C=Cc2ccc3c(c2)NC(=O)CO3)n1 ZINC001293875576 1262723509 /nfs/dbraw/zinc/72/35/09/1262723509.db2.gz VPMLWJYSOGQHJX-HYXAFXHYSA-N -1 3 357.326 0.503 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)C=Cc2ccc3c(c2)NC(=O)CO3)n[n-]1 ZINC001293875576 1262723513 /nfs/dbraw/zinc/72/35/13/1262723513.db2.gz VPMLWJYSOGQHJX-HYXAFXHYSA-N -1 3 357.326 0.503 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001295621147 1262773116 /nfs/dbraw/zinc/77/31/16/1262773116.db2.gz QYJOLBSINNSCHX-YUSALJHKSA-N -1 3 358.402 0.262 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(C(=O)[C@@H]3CCCn4ncnc43)CC2)n[n-]1 ZINC001297216912 1262854537 /nfs/dbraw/zinc/85/45/37/1262854537.db2.gz BPCBDXGFAAXXFU-GFCCVEGCSA-N -1 3 373.417 0.857 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(C(=O)[C@@H]3CCCn4ncnc43)CC2)[n-]1 ZINC001297216912 1262854541 /nfs/dbraw/zinc/85/45/41/1262854541.db2.gz BPCBDXGFAAXXFU-GFCCVEGCSA-N -1 3 373.417 0.857 10 0 FCAEHM CC(C)NC(=O)c1cnn2c1C[C@@H](CNC(=O)c1cnncc1[O-])CC2 ZINC001297663422 1262887199 /nfs/dbraw/zinc/88/71/99/1262887199.db2.gz PJVMXSHUAZYLFL-NSHDSACASA-N -1 3 358.402 0.509 10 0 FCAEHM O=C(NC[C@@H](O)CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)c1cccc2n[n-]nc21 ZINC001298184518 1262913696 /nfs/dbraw/zinc/91/36/96/1262913696.db2.gz HBOZBVVAHTXGFX-QVHKTLOISA-N -1 3 369.425 0.767 10 0 FCAEHM Cn1cc(-n2cc(C(=O)N3CC[C@@H](c4cc(=O)[nH][n-]4)C3)ccc2=O)cn1 ZINC001300192927 1262984483 /nfs/dbraw/zinc/98/44/83/1262984483.db2.gz CHJTYYXSKODDTB-LLVKDONJSA-N -1 3 354.370 0.629 10 0 FCAEHM CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)NCCCc1c[n-][nH]c1=O ZINC001301570930 1263011592 /nfs/dbraw/zinc/01/15/92/1263011592.db2.gz KFJIQAQHGHEBHN-OLZOCXBDSA-N -1 3 368.434 0.641 10 0 FCAEHM Cn1cc(CNC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)c(=O)[nH]c1=O ZINC001302805028 1263058828 /nfs/dbraw/zinc/05/88/28/1263058828.db2.gz BFOQPGJCMROIGB-UHFFFAOYSA-N -1 3 362.292 0.536 10 0 FCAEHM CC(C)(C)n1nnc(CNC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)n1 ZINC001478888810 1263152307 /nfs/dbraw/zinc/15/23/07/1263152307.db2.gz SUPNECUFHRDBLI-JTQLQIEISA-N -1 3 361.410 0.002 10 0 FCAEHM C[C@@](O)(CNC(=O)NCc1nc2c(c(=O)[n-]1)COCC2)C(F)(F)F ZINC001479156489 1263172672 /nfs/dbraw/zinc/17/26/72/1263172672.db2.gz KDMGNEXEGDEVOZ-GFCCVEGCSA-N -1 3 350.297 0.367 10 0 FCAEHM CC[C@@H]1COCCN1CCNC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001479507616 1263234195 /nfs/dbraw/zinc/23/41/95/1263234195.db2.gz KIQNJQOHGZELIL-ZIAGYGMSSA-N -1 3 364.450 0.171 10 0 FCAEHM CCN(C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)[C@H](C)CS(C)(=O)=O ZINC001479507002 1263234613 /nfs/dbraw/zinc/23/46/13/1263234613.db2.gz IBOSPJBGIATUPB-NEPJUHHUSA-N -1 3 371.463 0.226 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N[C@@H]1Cc2ccccc2[C@H]1O ZINC001479510475 1263236254 /nfs/dbraw/zinc/23/62/54/1263236254.db2.gz WBULZLHDJRHYFC-SUYBPPKGSA-N -1 3 355.398 0.718 10 0 FCAEHM Cn1[n-]c(CN2CC[C@H](CCNC(=O)[C@@H]3CCO[C@H]3C3CC3)C2)nc1=O ZINC001481441427 1263440376 /nfs/dbraw/zinc/44/03/76/1263440376.db2.gz IHDVCPVNTPIKOS-BJJXKVORSA-N -1 3 363.462 0.252 10 0 FCAEHM CC(C)[C@@H](CCN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1)NC(=O)c1cn[n-]n1 ZINC001487072325 1263585827 /nfs/dbraw/zinc/58/58/27/1263585827.db2.gz PCHZKSLRIBNTDU-FRRDWIJNSA-N -1 3 364.450 0.309 10 0 FCAEHM Cc1nc(C)c(CC(=O)NCCCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c(=O)[n-]1 ZINC001491710857 1263614649 /nfs/dbraw/zinc/61/46/49/1263614649.db2.gz DHSOOVGMWFFMAO-YUELXQCFSA-N -1 3 362.430 0.532 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N(C)CCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001492451496 1263660175 /nfs/dbraw/zinc/66/01/75/1263660175.db2.gz FZPVRHONSBQIBJ-JYKNGBAOSA-N -1 3 360.414 0.492 10 0 FCAEHM C[C@H](CNC(=O)[C@]12C[C@H]1COC2)NC(=O)c1nnc2ccccc2c1[O-] ZINC001494758424 1263781472 /nfs/dbraw/zinc/78/14/72/1263781472.db2.gz FVSUCZQZEDKZKJ-DDBGAENHSA-N -1 3 356.382 0.606 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H](C)CNC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001494897364 1263791785 /nfs/dbraw/zinc/79/17/85/1263791785.db2.gz YDRLZXXJADIERE-LEWSCRJBSA-N -1 3 362.430 0.788 10 0 FCAEHM Cc1nc(C)c(CC(=O)N(C)CCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c(=O)[n-]1 ZINC001496347904 1263874457 /nfs/dbraw/zinc/87/44/57/1263874457.db2.gz VNLALMZRZHXLKO-NMNMXBMNSA-N -1 3 374.441 0.340 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NCC(C)(C)CN(C)C(=O)[C@]12C[C@H]1COC2 ZINC001508670401 1264418946 /nfs/dbraw/zinc/41/89/46/1264418946.db2.gz WHHOAHXEGMSISB-SGTLLEGYSA-N -1 3 362.430 0.742 10 0 FCAEHM O=C(NCCOCCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1cnc[n-]c1=O ZINC001510299393 1264492417 /nfs/dbraw/zinc/49/24/17/1264492417.db2.gz ZPZKWFBJKKOFQS-BZPMIXESSA-N -1 3 364.402 0.002 10 0 FCAEHM CC(C)C[C@@H]1C[C@H]1C(=O)NC[C@H](CO)NC(=O)c1cccc2n[n-]nc21 ZINC001511116875 1264542467 /nfs/dbraw/zinc/54/24/67/1264542467.db2.gz JDRDXOMWRSDITI-YRGRVCCFSA-N -1 3 359.430 0.847 10 0 FCAEHM CCOCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC001512952731 1264765212 /nfs/dbraw/zinc/76/52/12/1264765212.db2.gz AHINGKMPOSVPRU-ZIAGYGMSSA-N -1 3 361.402 0.076 10 0 FCAEHM COCCOCCC(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1C ZINC001513240970 1264986833 /nfs/dbraw/zinc/98/68/33/1264986833.db2.gz QSFITKCIMKCIJQ-DGCLKSJQSA-N -1 3 366.418 0.120 10 0 FCAEHM COCCOCC(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1OC ZINC001513353795 1265057974 /nfs/dbraw/zinc/05/79/74/1265057974.db2.gz FLEULIWQAOLBIU-UKRRQHHQSA-N -1 3 352.387 0.011 10 0 FCAEHM C[C@@H]1C[C@]2(CC[C@H](CNC(=O)C(=O)NCc3ccc([O-])c(F)c3)O2)CO1 ZINC001333057289 1266531463 /nfs/dbraw/zinc/53/14/63/1266531463.db2.gz PZCHTUFVAZKHST-AEDCBLDQSA-N -1 3 366.389 0.990 10 0 FCAEHM CO[C@@H](C(=O)NC1CCN(c2nc(C)cc(=O)[n-]2)CC1)[C@H]1CCOC1 ZINC001529076217 1267021925 /nfs/dbraw/zinc/02/19/25/1267021925.db2.gz NFBZFCKHGBQBDJ-SWLSCSKDSA-N -1 3 350.419 0.627 10 0 FCAEHM Cn1cc(N2C[C@@H](C(=O)N3CCCc4c(=O)[n-]cnc43)CCC2=O)cn1 ZINC001535579992 1267302579 /nfs/dbraw/zinc/30/25/79/1267302579.db2.gz YOMBDLMYYDCWBB-NSHDSACASA-N -1 3 356.386 0.638 10 0 FCAEHM CC1(C)COc2c(S(=O)(=O)[N-][C@H](CO)CC(F)(F)F)cnn2C1 ZINC001335136934 1267357657 /nfs/dbraw/zinc/35/76/57/1267357657.db2.gz OPSYITCRJZAQDX-QMMMGPOBSA-N -1 3 357.354 0.893 10 0 FCAEHM CCN(CC)CCN(C(=O)c1cnncc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC001545877310 1267627785 /nfs/dbraw/zinc/62/77/85/1267627785.db2.gz ZDUYUDWPRQZWIS-GFCCVEGCSA-N -1 3 356.448 0.153 10 0 FCAEHM CCN(CC)CCN(C(=O)c1cnncc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC001545877311 1267628178 /nfs/dbraw/zinc/62/81/78/1267628178.db2.gz ZDUYUDWPRQZWIS-LBPRGKRZSA-N -1 3 356.448 0.153 10 0 FCAEHM CN(CC(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O)[C@@H]1CCC[C@H]1O ZINC001546154741 1267637738 /nfs/dbraw/zinc/63/77/38/1267637738.db2.gz LPRATRMNARCTLU-ZIAGYGMSSA-N -1 3 359.423 0.981 10 0 FCAEHM CN(C[C@H](O)CNC(=O)c1ccccc1[O-])C(=O)[C@]12CCC[C@H]1OCC2 ZINC001338562799 1267986271 /nfs/dbraw/zinc/98/62/71/1267986271.db2.gz BKMYFKUNFZWAQC-NRXGSXMXSA-N -1 3 362.426 0.901 10 0 FCAEHM CC(C)(C)[C@@H](CNC(=O)c1cnc[n-]c1=O)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001338900344 1268117812 /nfs/dbraw/zinc/11/78/12/1268117812.db2.gz LHCFLBWAMMIJKA-VEPBNUNMSA-N -1 3 374.441 0.866 10 0 FCAEHM Cn1ncc(C(=O)[O-])c1C(=O)NCc1cccc(CN2CCN(C)CC2)c1 ZINC001339133095 1268173837 /nfs/dbraw/zinc/17/38/37/1268173837.db2.gz FPPDAXVVSFFIBQ-UHFFFAOYSA-N -1 3 371.441 0.796 10 0 FCAEHM CS[C@@H](C)CC(=O)N1C[C@@H]2CCN(C(=O)c3cnc[n-]c3=O)[C@@H]2C1 ZINC001341065735 1268769385 /nfs/dbraw/zinc/76/93/85/1268769385.db2.gz UBAQEFROMHZAMC-GMXVVIOVSA-N -1 3 350.444 0.997 10 0 FCAEHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@@H]32)c1 ZINC001556961896 1268910574 /nfs/dbraw/zinc/91/05/74/1268910574.db2.gz MFOIHJRZQYXRRV-DZGCQCFKSA-N -1 3 368.411 0.379 10 0 FCAEHM Cc1c(NC(=O)C[C@H](C)[N-]S(=O)(=O)c2cccnc2Cl)nnn1C ZINC001557011335 1268917969 /nfs/dbraw/zinc/91/79/69/1268917969.db2.gz ZRJQZXREDAPQHW-QMMMGPOBSA-N -1 3 372.838 0.868 10 0 FCAEHM CCS(=O)(=O)CCCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC001557027712 1268919237 /nfs/dbraw/zinc/91/92/37/1268919237.db2.gz WCRWPASENREREE-UHFFFAOYSA-N -1 3 366.436 0.288 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@@H]1C[C@H]1[C@@H]1CCCO1 ZINC001557270531 1268939218 /nfs/dbraw/zinc/93/92/18/1268939218.db2.gz LOBKHDSVXINUML-QNSHHTMESA-N -1 3 358.192 0.395 10 0 FCAEHM Cc1cc(Cn2nnc(C(=O)N3CC[C@@H](c4cc(=O)[nH][n-]4)C3)c2C)on1 ZINC001557318298 1268942121 /nfs/dbraw/zinc/94/21/21/1268942121.db2.gz HAYBMHSXTOAXGC-LLVKDONJSA-N -1 3 357.374 0.990 10 0 FCAEHM Cc1cc(Cn2nnc(C(=O)N3CC[C@H](c4cc(=O)[nH][n-]4)C3)c2C)on1 ZINC001557318303 1268942835 /nfs/dbraw/zinc/94/28/35/1268942835.db2.gz HAYBMHSXTOAXGC-NSHDSACASA-N -1 3 357.374 0.990 10 0 FCAEHM COCCOCCc1ncc(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)[nH]1 ZINC001557319739 1268943963 /nfs/dbraw/zinc/94/39/63/1268943963.db2.gz CZCYUDCKXGWADM-UHFFFAOYSA-N -1 3 353.404 0.330 10 0 FCAEHM COC(=O)[C@H](CCC1OCCO1)NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC001558044967 1269010664 /nfs/dbraw/zinc/01/06/64/1269010664.db2.gz YRSODAWKAOBXJY-LBPRGKRZSA-N -1 3 353.375 0.152 10 0 FCAEHM O=Cc1ccc(OC(F)(F)C(=O)[N-]Cc2nnc3n2CCNC3=O)cc1 ZINC001558134199 1269032255 /nfs/dbraw/zinc/03/22/55/1269032255.db2.gz MFGPCYUQUINFII-UHFFFAOYSA-N -1 3 365.296 0.122 10 0 FCAEHM CC(=O)Nc1ccc([O-])c(C(=O)NCCc2nnc3c(=O)n(C)ccn23)c1 ZINC001558395932 1269082540 /nfs/dbraw/zinc/08/25/40/1269082540.db2.gz KXSYEBYCFKEDNY-UHFFFAOYSA-N -1 3 370.369 0.065 10 0 FCAEHM CC(C)OC(=O)c1cc(NC(=O)[C@H]2C[C@H](O)CN2c2ccncn2)[n-]n1 ZINC001558560021 1269113929 /nfs/dbraw/zinc/11/39/29/1269113929.db2.gz OHOJMWKTIYAQBD-CMPLNLGQSA-N -1 3 360.374 0.343 10 0 FCAEHM CC(C)OC(=O)c1cc(NC(=O)[C@H]2C[C@H](O)CN2c2ccncn2)n[n-]1 ZINC001558560021 1269113931 /nfs/dbraw/zinc/11/39/31/1269113931.db2.gz OHOJMWKTIYAQBD-CMPLNLGQSA-N -1 3 360.374 0.343 10 0 FCAEHM COC(=O)c1cc(NC(=O)Cn2c(C)cc(C)nc2=O)c([O-])c(OC)c1 ZINC001558677575 1269130057 /nfs/dbraw/zinc/13/00/57/1269130057.db2.gz VQKHDIBHKSULEI-UHFFFAOYSA-N -1 3 361.354 1.000 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)c2ccc3c(c2)SCC(=O)N3)[n-]1 ZINC001558965845 1269155115 /nfs/dbraw/zinc/15/51/15/1269155115.db2.gz MFKJWSDYBVNOGC-UHFFFAOYSA-N -1 3 361.383 0.956 10 0 FCAEHM CCn1c(C)cc2n[n-]c(NC(=O)c3cc4c(=O)[nH]c(C)cn4n3)c2c1=O ZINC001559001418 1269159203 /nfs/dbraw/zinc/15/92/03/1269159203.db2.gz SSZMAYAJLCEGHG-UHFFFAOYSA-N -1 3 367.369 0.950 10 0 FCAEHM Cc1cc(=O)[n-]c(CNC(=O)Cc2c(C)[nH]c3nn(C)c(=O)c-3c2C)n1 ZINC001559007294 1269161163 /nfs/dbraw/zinc/16/11/63/1269161163.db2.gz VIPHHSSJRZVKNT-UHFFFAOYSA-N -1 3 356.386 0.541 10 0 FCAEHM CNC(=O)[C@H](NC(=O)CN1CCC(Cc2nnn[n-]2)CC1)c1ccccc1 ZINC001560114105 1269187966 /nfs/dbraw/zinc/18/79/66/1269187966.db2.gz CQMYYBPJWBNUHS-QGZVFWFLSA-N -1 3 371.445 0.058 10 0 FCAEHM CNC(=O)[C@H](NC(=O)CN1CCC(Cc2nn[n-]n2)CC1)c1ccccc1 ZINC001560114105 1269187968 /nfs/dbraw/zinc/18/79/68/1269187968.db2.gz CQMYYBPJWBNUHS-QGZVFWFLSA-N -1 3 371.445 0.058 10 0 FCAEHM O=c1cc(CN2CCN3CCOC[C@]3(CO)C2)nc(-c2ccccc2)[n-]1 ZINC001560178377 1269193745 /nfs/dbraw/zinc/19/37/45/1269193745.db2.gz WITNMVSVCIZLTM-LJQANCHMSA-N -1 3 356.426 0.728 10 0 FCAEHM CCCN1C[C@@H](CNC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)CC1=O ZINC001564953718 1269445107 /nfs/dbraw/zinc/44/51/07/1269445107.db2.gz PUMTZZOBDIWVME-CHWSQXEVSA-N -1 3 362.434 0.319 10 0 FCAEHM COC1([C@H](C)NC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)CCOCC1 ZINC001564949686 1269445306 /nfs/dbraw/zinc/44/53/06/1269445306.db2.gz PFYUBJFXXCHLGL-STQMWFEESA-N -1 3 365.434 0.644 10 0 FCAEHM COC1(OC)CC(CNC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)C1 ZINC001565444968 1269473823 /nfs/dbraw/zinc/47/38/23/1269473823.db2.gz ZFVOHWFQXMSNMY-LBPRGKRZSA-N -1 3 351.407 0.459 10 0 FCAEHM CC(=O)[C@H]1CC(C(=O)NCCc2c(C)[n-][nH]c2=O)=NN1c1ccccc1 ZINC001565611461 1269481764 /nfs/dbraw/zinc/48/17/64/1269481764.db2.gz GKDSQTPXGJNOOG-GOEBONIOSA-N -1 3 355.398 0.839 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NCc1nc(CNCC(=O)NC(C)(C)C)cc(=O)[n-]1 ZINC001565991712 1269542654 /nfs/dbraw/zinc/54/26/54/1269542654.db2.gz ROGPVFROOWLZGY-DGCLKSJQSA-N -1 3 363.462 0.849 10 0 FCAEHM CCCC(=O)NCC(=O)N1C[C@@H](NC(=O)c2ccccc2[O-])[C@H](OC)C1 ZINC001342746872 1269586742 /nfs/dbraw/zinc/58/67/42/1269586742.db2.gz KTMAKRAGNHRFBZ-UKRRQHHQSA-N -1 3 363.414 0.264 10 0 FCAEHM COCC(C)(C)CC(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1OC ZINC001342985721 1269714579 /nfs/dbraw/zinc/71/45/79/1269714579.db2.gz OGSOYXCXAYDSQF-CHWSQXEVSA-N -1 3 366.418 0.201 10 0 FCAEHM CCC[C@@H](OC)C(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1OC ZINC001343011996 1269727854 /nfs/dbraw/zinc/72/78/54/1269727854.db2.gz MGIWFCWNDNUKBO-JHJVBQTASA-N -1 3 366.418 0.261 10 0 FCAEHM O=C(c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)N1CC2(C1)CNC(=O)O2 ZINC001570495755 1269896161 /nfs/dbraw/zinc/89/61/61/1269896161.db2.gz WPJUEPNSBGVLHL-UHFFFAOYSA-N -1 3 369.374 0.201 10 0 FCAEHM CN(C[C@H](O)CN(C)C(=O)c1cnc[n-]c1=O)C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001572499095 1270079950 /nfs/dbraw/zinc/07/99/50/1270079950.db2.gz ASYBXCAUKRFZKL-IHRRRGAJSA-N -1 3 362.430 0.510 10 0 FCAEHM O=C(CCc1cn[nH]c1)N[C@@H]1CC[C@H](CNC(=O)c2cnc[n-]c2=O)C1 ZINC001344287351 1270132300 /nfs/dbraw/zinc/13/23/00/1270132300.db2.gz DDXUNMIBAGKGCI-WCQYABFASA-N -1 3 358.402 0.553 10 0 FCAEHM CSCCC(=O)N1C[C@@H]2CCN(C(=O)c3c(C)nc[n-]c3=O)[C@@H]2C1 ZINC001572788837 1270143536 /nfs/dbraw/zinc/14/35/36/1270143536.db2.gz BEJKGKXQLSTSST-NWDGAFQWSA-N -1 3 350.444 0.917 10 0 FCAEHM CC1(C(=O)NCc2nc(CNC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)cc(=O)[n-]2)CC1 ZINC001344651534 1270217371 /nfs/dbraw/zinc/21/73/71/1270217371.db2.gz SIASHSFWECCMEI-VXGBXAGGSA-N -1 3 370.413 0.742 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@H](C)OC)n1 ZINC001344650620 1270217754 /nfs/dbraw/zinc/21/77/54/1270217754.db2.gz VQOUVMFONFSARM-RWSFTLGLSA-N -1 3 366.418 0.265 10 0 FCAEHM CC[C@H](CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c(C)nc[n-]c2=O)C1)C(C)C ZINC001572849419 1270257534 /nfs/dbraw/zinc/25/75/34/1270257534.db2.gz ROMNLAHDFIGKPC-MGPQQGTHSA-N -1 3 364.446 0.864 10 0 FCAEHM CC(=O)CCCC(=O)N1CC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@@H]2C1 ZINC001345076078 1270319912 /nfs/dbraw/zinc/31/99/12/1270319912.db2.gz BJQWLYSAHPMRMT-KGLIPLIRSA-N -1 3 360.414 0.862 10 0 FCAEHM CO[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1NC(=O)CCc1cccnc1 ZINC001572959418 1270410841 /nfs/dbraw/zinc/41/08/41/1270410841.db2.gz XCYZMSKPVVXMDY-HUUCEWRRSA-N -1 3 371.397 0.166 10 0 FCAEHM COCCC(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)[C@@H]2C1 ZINC001573057163 1270576671 /nfs/dbraw/zinc/57/66/71/1270576671.db2.gz YKJSTVXZGQEMIB-TZMCWYRMSA-N -1 3 362.430 0.918 10 0 FCAEHM CCC(=O)NCC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1cnc[n-]c1=O ZINC001573225395 1270695078 /nfs/dbraw/zinc/69/50/78/1270695078.db2.gz JHXNYSCOHOWMJV-NEPJUHHUSA-N -1 3 363.418 0.065 10 0 FCAEHM C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@H](NC(=O)c2ccccc2[O-])[C@H]1C ZINC001573440591 1270777823 /nfs/dbraw/zinc/77/78/23/1270777823.db2.gz YCMQABQBZOSCPO-LOWVWBTDSA-N -1 3 369.443 0.049 10 0 FCAEHM CCC[C@@H](NC(N)=O)C(=O)N[C@H]1CCN(C(=O)c2ccccc2[O-])[C@@H]1C ZINC001573556307 1270827735 /nfs/dbraw/zinc/82/77/35/1270827735.db2.gz TZEYXAALIKVFQU-KWCYVHTRSA-N -1 3 362.430 0.948 10 0 FCAEHM COC[C@H](OC)C(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2cnc[n-]c2=O)C1 ZINC001574002318 1270985670 /nfs/dbraw/zinc/98/56/70/1270985670.db2.gz CKWAPQRBJCREJP-BZPMIXESSA-N -1 3 366.418 0.058 10 0 FCAEHM O=C(C[C@H]1CCCS(=O)(=O)C1)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001603292545 1287348290 /nfs/dbraw/zinc/34/82/90/1287348290.db2.gz QWPUHTPRQUPDOF-VXGBXAGGSA-N -1 3 354.432 0.092 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NC[C@H]1CN(CCC[N-]C(=O)C(F)(F)F)CCO1 ZINC001715290671 1287348664 /nfs/dbraw/zinc/34/86/64/1287348664.db2.gz UWNIFBUYHNZGRQ-FRRDWIJNSA-N -1 3 365.396 0.918 10 0 FCAEHM Cn1[n-]c(CNC2(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CCCC2)nc1=O ZINC001715305394 1287349230 /nfs/dbraw/zinc/34/92/30/1287349230.db2.gz YQJZDGOQDRUBQB-JYKNGBAOSA-N -1 3 361.446 0.050 10 0 FCAEHM Cn1[n-]c(CNC/C=C\CNC(=O)[C@@H]2C[C@]2(C)c2ccccc2)nc1=O ZINC001715852277 1287363340 /nfs/dbraw/zinc/36/33/40/1287363340.db2.gz PVXINVUWBLBEEA-UUKSILJHSA-N -1 3 355.442 0.848 10 0 FCAEHM CN(C(=O)c1cnc[n-]c1=O)[C@@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1CC1 ZINC001718510926 1287512848 /nfs/dbraw/zinc/51/28/48/1287512848.db2.gz AICHNMCGLAUDEW-UXOAXIEHSA-N -1 3 360.414 0.717 10 0 FCAEHM C[C@@H](C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1)S(=O)(=O)C1CCOCC1 ZINC001583357373 1282082677 /nfs/dbraw/zinc/08/26/77/1282082677.db2.gz IZLKTUNHVLBVPA-QWRGUYRKSA-N -1 3 357.432 0.414 10 0 FCAEHM C[C@H](C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1)S(=O)(=O)C1CCOCC1 ZINC001583357371 1282082690 /nfs/dbraw/zinc/08/26/90/1282082690.db2.gz IZLKTUNHVLBVPA-GHMZBOCLSA-N -1 3 357.432 0.414 10 0 FCAEHM NS(=O)(=O)c1ccc(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)cc1Cl ZINC001583368429 1282085302 /nfs/dbraw/zinc/08/53/02/1282085302.db2.gz DHZGXLXURCBJKG-UHFFFAOYSA-N -1 3 374.831 0.702 10 0 FCAEHM Cc1cc(=O)[n-]c(CNC(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)n1 ZINC001583382928 1282087156 /nfs/dbraw/zinc/08/71/56/1282087156.db2.gz LEBAARZKQXHMER-ZDUSSCGKSA-N -1 3 354.366 0.626 10 0 FCAEHM CC(C)CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001631833168 1282119901 /nfs/dbraw/zinc/11/99/01/1282119901.db2.gz UJXLHWMYRXWBGJ-WFASDCNBSA-N -1 3 374.445 0.928 10 0 FCAEHM CCOC(=O)C1(CC(=O)NCc2cc(=O)[n-]c(=S)[nH]2)CCOCC1 ZINC001631842813 1282123382 /nfs/dbraw/zinc/12/33/82/1282123382.db2.gz YWCGVTLGXZCWHL-UHFFFAOYSA-N -1 3 355.416 0.837 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@H](CO)CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001718646986 1287550511 /nfs/dbraw/zinc/55/05/11/1287550511.db2.gz RAKVLGPLSFELNJ-FRRDWIJNSA-N -1 3 350.419 0.380 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CC(C)C ZINC001585162962 1282206821 /nfs/dbraw/zinc/20/68/21/1282206821.db2.gz BQSALJQFFHOODO-KBPBESRZSA-N -1 3 362.434 0.111 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(=O)n(C)cc1Br ZINC001585163159 1282206923 /nfs/dbraw/zinc/20/69/23/1282206923.db2.gz FSXIAXLQCNKHRW-MRVPVSSYSA-N -1 3 355.192 0.390 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)COC1CN(C(=O)OC(C)(C)C)C1 ZINC001585158148 1282207007 /nfs/dbraw/zinc/20/70/07/1282207007.db2.gz PGLVWFXWDNXZPQ-LBPRGKRZSA-N -1 3 354.407 0.251 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC001585156961 1282207169 /nfs/dbraw/zinc/20/71/69/1282207169.db2.gz GOBCIGXEUAIVNH-LBPRGKRZSA-N -1 3 373.381 0.854 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC001585156960 1282207309 /nfs/dbraw/zinc/20/73/09/1282207309.db2.gz GOBCIGXEUAIVNH-GFCCVEGCSA-N -1 3 373.381 0.854 10 0 FCAEHM CN1CCN(C(=O)N2CCN(C(=O)c3cccc([O-])c3F)CC2)CC1 ZINC001632819890 1282210817 /nfs/dbraw/zinc/21/08/17/1282210817.db2.gz BCQKPDHHAPQUKI-UHFFFAOYSA-N -1 3 350.394 0.657 10 0 FCAEHM CC(=O)Nc1ccccc1C(F)(F)C(=O)[N-][C@@H](CO)c1nncn1C ZINC001585237561 1282217185 /nfs/dbraw/zinc/21/71/85/1282217185.db2.gz SSYWALMXUKXTBQ-LBPRGKRZSA-N -1 3 353.329 0.715 10 0 FCAEHM O=C(c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)N1CCC(CO)(CO)C1 ZINC001585845430 1282247231 /nfs/dbraw/zinc/24/72/31/1282247231.db2.gz IANNLVSOOFLBLN-UHFFFAOYSA-N -1 3 372.418 0.083 10 0 FCAEHM CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)NCCCc1c[n-][nH]c1=O ZINC001585938525 1282258335 /nfs/dbraw/zinc/25/83/35/1282258335.db2.gz YJSIUGBVCBIFSX-NEPJUHHUSA-N -1 3 356.423 0.544 10 0 FCAEHM Cn1nccc1CCNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001633622148 1282260457 /nfs/dbraw/zinc/26/04/57/1282260457.db2.gz YTTSGPUGFAXVMX-UHFFFAOYSA-N -1 3 357.345 0.580 10 0 FCAEHM Cn1nccc1CCNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001633622148 1282260466 /nfs/dbraw/zinc/26/04/66/1282260466.db2.gz YTTSGPUGFAXVMX-UHFFFAOYSA-N -1 3 357.345 0.580 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)c1ccc(N2NC(=O)CCC2=O)cc1 ZINC001634142863 1282304186 /nfs/dbraw/zinc/30/41/86/1282304186.db2.gz BGEODWAANUMYBG-LBPRGKRZSA-N -1 3 357.370 0.086 10 0 FCAEHM CCOC(=O)[C@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)[C@H](O)c1ccncc1 ZINC001634776622 1282355689 /nfs/dbraw/zinc/35/56/89/1282355689.db2.gz MEOVZOMUWBATIF-HUUCEWRRSA-N -1 3 372.381 0.850 10 0 FCAEHM O=C(c1nc[n-]c(=O)c1Br)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC001635982214 1282448941 /nfs/dbraw/zinc/44/89/41/1282448941.db2.gz RKFMHPWFVWVDFM-BDAKNGLRSA-N -1 3 357.208 0.226 10 0 FCAEHM O=C(Nn1ccnn1)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC001636056784 1282456187 /nfs/dbraw/zinc/45/61/87/1282456187.db2.gz XFMRUEDUNHRMPI-UHFFFAOYSA-N -1 3 350.335 0.930 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2CCN(CC(F)F)C2)c(C)o1 ZINC001636570255 1282517109 /nfs/dbraw/zinc/51/71/09/1282517109.db2.gz HVXIWCAJCIPVLL-SNVBAGLBSA-N -1 3 365.402 0.813 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccccc1Cn1ccnn1 ZINC001636855985 1282543764 /nfs/dbraw/zinc/54/37/64/1282543764.db2.gz WXQCKZMMLYDGRT-CQSZACIVSA-N -1 3 365.397 0.831 10 0 FCAEHM O=C(C[C@H]1NC(=O)c2ccccc21)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001636855851 1282544359 /nfs/dbraw/zinc/54/43/59/1282544359.db2.gz SWXNUIBJUILHQX-SMDDNHRTSA-N -1 3 353.382 0.752 10 0 FCAEHM CCOC(=O)c1[n-]nnc1[C@@H]1CCCN1C(=O)[C@H]1CN(CC)CCO1 ZINC001637909425 1282640449 /nfs/dbraw/zinc/64/04/49/1282640449.db2.gz GMJLLSATTNRQHV-NWDGAFQWSA-N -1 3 351.407 0.366 10 0 FCAEHM CCOC(=O)c1nn[n-]c1[C@@H]1CCCN1C(=O)[C@H]1CN(CC)CCO1 ZINC001637909425 1282640459 /nfs/dbraw/zinc/64/04/59/1282640459.db2.gz GMJLLSATTNRQHV-NWDGAFQWSA-N -1 3 351.407 0.366 10 0 FCAEHM CCOC(=O)c1n[n-]nc1[C@@H]1CCCN1C(=O)[C@H]1CN(CC)CCO1 ZINC001637909425 1282640470 /nfs/dbraw/zinc/64/04/70/1282640470.db2.gz GMJLLSATTNRQHV-NWDGAFQWSA-N -1 3 351.407 0.366 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(S(N)(=O)=O)ccc1Cl ZINC001638310107 1282683506 /nfs/dbraw/zinc/68/35/06/1282683506.db2.gz DTPHXURMFUMICJ-SECBINFHSA-N -1 3 358.807 0.229 10 0 FCAEHM NC(=O)C[C@H](NC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccccc1 ZINC001638865654 1282729171 /nfs/dbraw/zinc/72/91/71/1282729171.db2.gz XDKWHOYOTZMTSQ-KGLIPLIRSA-N -1 3 370.413 0.677 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NC[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC001639025857 1282741856 /nfs/dbraw/zinc/74/18/56/1282741856.db2.gz CHZRWOLVYLENLK-AVGNSLFASA-N -1 3 357.432 0.644 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)C3(C(=O)NC4CC4)CC3)CC2)n1 ZINC001639127247 1282750439 /nfs/dbraw/zinc/75/04/39/1282750439.db2.gz SERUHSMKBJPUHY-UHFFFAOYSA-N -1 3 359.430 0.634 10 0 FCAEHM Cc1sc(=O)n(CCC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)c1C ZINC001640104538 1282838334 /nfs/dbraw/zinc/83/83/34/1282838334.db2.gz GJQRNXKAZHQCIV-LBPRGKRZSA-N -1 3 363.443 0.807 10 0 FCAEHM O=C(c1ccc2c(c1)NC(=O)CNC2=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001640595518 1282880018 /nfs/dbraw/zinc/88/00/18/1282880018.db2.gz UXBZKPNMMBKKDT-SNVBAGLBSA-N -1 3 355.354 0.427 10 0 FCAEHM NS(=O)(=O)c1cc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)ccc1F ZINC001640595734 1282880358 /nfs/dbraw/zinc/88/03/58/1282880358.db2.gz XOFYWVVSYGMDMG-VIFPVBQESA-N -1 3 354.363 0.532 10 0 FCAEHM O=C(NC[C@]1(OCCO)CCOC1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001641135003 1282925736 /nfs/dbraw/zinc/92/57/36/1282925736.db2.gz SBEIDVBCSOTERT-QGZVFWFLSA-N -1 3 368.336 0.704 10 0 FCAEHM CCCS(=O)(=O)NC1CCN(Cc2nc3c(c(=O)[n-]2)COCC3)CC1 ZINC001641505715 1282958403 /nfs/dbraw/zinc/95/84/03/1282958403.db2.gz JURVKVABKWUCCD-UHFFFAOYSA-N -1 3 370.475 0.549 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCO[C@H](Cn3ccnn3)C2)c1 ZINC001641840522 1282974236 /nfs/dbraw/zinc/97/42/36/1282974236.db2.gz JEAAKHPHKBTRKS-ZDUSSCGKSA-N -1 3 357.370 0.649 10 0 FCAEHM CCCSCC(=O)N1C[C@@H]2CCN(C(=O)c3cnc[n-]c3=O)[C@@H]2C1 ZINC001719062180 1287641536 /nfs/dbraw/zinc/64/15/36/1287641536.db2.gz WWYIEPDXOGGCGD-WCQYABFASA-N -1 3 350.444 0.998 10 0 FCAEHM CC(C)(C)c1nnc(CNC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)[nH]1 ZINC001681897727 1283513005 /nfs/dbraw/zinc/51/30/05/1283513005.db2.gz RZNSILCNSDRETN-JTQLQIEISA-N -1 3 360.422 0.676 10 0 FCAEHM CO[C@H](CNC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)[C@H]1CCOC1 ZINC001682629467 1283728374 /nfs/dbraw/zinc/72/83/74/1283728374.db2.gz IODWHUNIHIVYLF-YNEHKIRRSA-N -1 3 351.407 0.112 10 0 FCAEHM Cn1cnc(CCNC(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)c1 ZINC001683005302 1283829695 /nfs/dbraw/zinc/82/96/95/1283829695.db2.gz FQJYBGHVGWXPII-UHFFFAOYSA-N -1 3 369.422 0.973 10 0 FCAEHM O=C(NCC[C@@H]1CCCS1(=O)=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001683742818 1284103570 /nfs/dbraw/zinc/10/35/70/1284103570.db2.gz YZQDNHVGBWSQKD-RYUDHWBXSA-N -1 3 369.447 0.027 10 0 FCAEHM Cc1cnn(CC(=O)NC[C@H]2CC[C@@H](NC(=O)c3cnc[n-]c3=O)C2)c1 ZINC001684344387 1284159711 /nfs/dbraw/zinc/15/97/11/1284159711.db2.gz UNWUVZKJSKVFKC-QWHCGFSZSA-N -1 3 358.402 0.402 10 0 FCAEHM CC[C@@H](OC)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001684350303 1284161067 /nfs/dbraw/zinc/16/10/67/1284161067.db2.gz JKHDNJCJURWJHY-YNEHKIRRSA-N -1 3 350.419 0.930 10 0 FCAEHM CO[C@]12CCC[C@@]1(NC(=O)N[C@@H]1CCN(c3cc(=O)[n-]cn3)C1)CCO2 ZINC001684560021 1284200922 /nfs/dbraw/zinc/20/09/22/1284200922.db2.gz AVUINAFLWMIGBU-JLZZUVOBSA-N -1 3 363.418 0.746 10 0 FCAEHM Cc1noc([C@H]2CCCN2C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)n1 ZINC001684562728 1284202137 /nfs/dbraw/zinc/20/21/37/1284202137.db2.gz WVTWMVXWOYUOAC-NWDGAFQWSA-N -1 3 359.390 0.999 10 0 FCAEHM CCO[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CNC(=O)CCC1CC1 ZINC001684647025 1284236805 /nfs/dbraw/zinc/23/68/05/1284236805.db2.gz RADJHYYBYXYWHF-UKRRQHHQSA-N -1 3 362.430 0.966 10 0 FCAEHM CC1(CC(=O)NCc2nc(CNC(=O)[C@]34C[C@H]3COC4)cc(=O)[n-]2)CC1 ZINC001702604712 1285751484 /nfs/dbraw/zinc/75/14/84/1285751484.db2.gz WHHRHJQQDICBMY-VOJFVSQTSA-N -1 3 360.414 0.641 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1CNC(=O)CCn1cnnn1 ZINC001702814426 1285907171 /nfs/dbraw/zinc/90/71/71/1285907171.db2.gz RACBAYYAKLWJJJ-CHWSQXEVSA-N -1 3 358.402 0.293 10 0 FCAEHM CC(=O)N[C@H](CC1CCC1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn[n-]n1)C2 ZINC001702927456 1286004936 /nfs/dbraw/zinc/00/49/36/1286004936.db2.gz CJHSGAKKCAVATQ-CTASWTNQSA-N -1 3 374.445 0.361 10 0 FCAEHM C[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O ZINC001702983544 1286034886 /nfs/dbraw/zinc/03/48/86/1286034886.db2.gz SATAFUKNPCDWQM-BTQDYEIMSA-N -1 3 370.413 0.646 10 0 FCAEHM Cc1[nH]nc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CN(C)C2CCC2)C3)c1[O-] ZINC001702989843 1286039623 /nfs/dbraw/zinc/03/96/23/1286039623.db2.gz GPSSYUGULJFNHK-MCIONIFRSA-N -1 3 361.446 0.770 10 0 FCAEHM CC[C@H](F)C(=O)N[C@@H]1CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C[C@@H]1O ZINC001735948546 1289071785 /nfs/dbraw/zinc/07/17/85/1289071785.db2.gz KCKHBMCMESSNEO-WCQGTBRESA-N -1 3 352.366 0.109 10 0 FCAEHM CC[C@@H](F)C(=O)N[C@@H]1CN(C(=O)c2cc(=O)c3ccccc3[n-]2)C[C@@H]1O ZINC001735948494 1289071797 /nfs/dbraw/zinc/07/17/97/1289071797.db2.gz IALGQYPHBOSSKS-XFJVYGCCSA-N -1 3 361.373 0.578 10 0 FCAEHM O=C(NC1(CNC(=O)[C@@H]2C[C@H]2C2CCOCC2)CC1)c1cnc[n-]c1=O ZINC001705282435 1286370243 /nfs/dbraw/zinc/37/02/43/1286370243.db2.gz RSSXVANSLDQYSP-QWHCGFSZSA-N -1 3 360.414 0.624 10 0 FCAEHM COc1cccnc1CC(=O)NC[C@H]1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001707112327 1286451088 /nfs/dbraw/zinc/45/10/88/1286451088.db2.gz CNWPEXQDVHVJIY-NWDGAFQWSA-N -1 3 360.418 0.531 10 0 FCAEHM C[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)[C@@H]1CCCNCc1n[nH]c(=O)[n-]1 ZINC001707170574 1286489093 /nfs/dbraw/zinc/48/90/93/1286489093.db2.gz ZAKLEARBVRHALT-JHJVBQTASA-N -1 3 364.450 0.286 10 0 FCAEHM C[C@@H](CC(N)=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001719210474 1287870473 /nfs/dbraw/zinc/87/04/73/1287870473.db2.gz HEWUPRSQONOKKJ-CORIIIEPSA-N -1 3 370.413 0.041 10 0 FCAEHM C=C/C(C)=C/CC(=O)N1C[C@@H](NC(=O)c2c(C)nc[n-]c2=O)[C@H](OC)C1 ZINC001719242070 1287933385 /nfs/dbraw/zinc/93/33/85/1287933385.db2.gz MXNVTMWRKRRIHC-GFUGXAQUSA-N -1 3 360.414 0.969 10 0 FCAEHM COCCC[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1OC ZINC001719247573 1287944347 /nfs/dbraw/zinc/94/43/47/1287944347.db2.gz XIFXRXSSUSJJPZ-MRVWCRGKSA-N -1 3 366.418 0.201 10 0 FCAEHM COCCC[C@@H](C)C(=O)N1CC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)[C@@H]2C1 ZINC001719333155 1288098502 /nfs/dbraw/zinc/09/85/02/1288098502.db2.gz NCWXUQXMWIDZNV-UMVBOHGHSA-N -1 3 362.430 0.918 10 0 FCAEHM CCO[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CNC(=O)[C@@H](C)COC ZINC001719489727 1288145673 /nfs/dbraw/zinc/14/56/73/1288145673.db2.gz GJHNAVYSOHGRSZ-OUCADQQQSA-N -1 3 366.418 0.058 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NCc1nc(CNC(=O)Cc2c[nH]cn2)cc(=O)[n-]1 ZINC001719523546 1288167317 /nfs/dbraw/zinc/16/73/17/1288167317.db2.gz LFFDSOHYCDDGGR-ZWNOBZJWSA-N -1 3 358.402 0.427 10 0 FCAEHM CC[C@H](NC(C)=O)C(=O)N[C@H]1CCN(C(=O)c2cnc[n-]c2=O)[C@@H]1CC ZINC001719562188 1288182391 /nfs/dbraw/zinc/18/23/91/1288182391.db2.gz NEPIYVHWWUBHEA-MELADBBJSA-N -1 3 363.418 0.206 10 0 FCAEHM C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1CCN(C(=O)c2ccccc2[O-])[C@@H]1C ZINC001719621283 1288192761 /nfs/dbraw/zinc/19/27/61/1288192761.db2.gz PVDNJCHWTQSXCP-BZPMIXESSA-N -1 3 368.455 0.792 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)N(C)CCCNC(=O)c1c(C)nc[n-]c1=O ZINC001720540848 1288239904 /nfs/dbraw/zinc/23/99/04/1288239904.db2.gz OXGLDRLGPXYJEA-OLZOCXBDSA-N -1 3 350.419 0.884 10 0 FCAEHM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)N(C)C(=O)c1cnc[n-]c1=O ZINC001734816902 1288679553 /nfs/dbraw/zinc/67/95/53/1288679553.db2.gz SFJWSOZBHPJNCX-KGYLQXTDSA-N -1 3 358.402 0.296 10 0 FCAEHM CN(C(=O)c1cnc[n-]c1=O)[C@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CC1 ZINC001735154995 1288703390 /nfs/dbraw/zinc/70/33/90/1288703390.db2.gz CKCAWCQWCLQENB-MOBYMJLASA-N -1 3 372.425 0.572 10 0 FCAEHM CCC[C@@H]1C[C@H]1C(=O)NC[C@@H](O)CN(C)C(=O)c1c(C)nc[n-]c1=O ZINC001735418071 1288736055 /nfs/dbraw/zinc/73/60/55/1288736055.db2.gz LKZLCKCRHBFUKL-JHJVBQTASA-N -1 3 350.419 0.476 10 0 FCAEHM CO[C@@H]1CN(C(=O)[C@H](C)CC(C)C)C[C@H]1NC(=O)c1cnc[n-]c1=O ZINC001735883940 1288988503 /nfs/dbraw/zinc/98/85/03/1288988503.db2.gz SIHZQOIFGZZXKY-MRVWCRGKSA-N -1 3 350.419 0.820 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@@H](C)OC)n1 ZINC001736172188 1289187625 /nfs/dbraw/zinc/18/76/25/1289187625.db2.gz NOAVRUJFMKAMLN-RTXFEEFZSA-N -1 3 366.418 0.265 10 0 FCAEHM CC(=O)N[C@H](C)C(=O)N1C[C@H]2CCN(C(=O)c3ccccc3[O-])C[C@H]2C1 ZINC001736216854 1289203513 /nfs/dbraw/zinc/20/35/13/1289203513.db2.gz KAWVNPYBDLLFCT-YUELXQCFSA-N -1 3 359.426 0.837 10 0 FCAEHM CC(=O)CCCC(=O)N1C[C@@H]2CN(C(=O)c3cnc[n-]c3=O)CC[C@@H]2C1 ZINC001736217171 1289203700 /nfs/dbraw/zinc/20/37/00/1289203700.db2.gz NEZFVLZXKACYOG-KGLIPLIRSA-N -1 3 360.414 0.862 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1CC[C@@H]2CN(C(=O)COC(C)C)C[C@@H]2C1 ZINC001736221559 1289206005 /nfs/dbraw/zinc/20/60/05/1289206005.db2.gz VISWSXOBOZAUIY-KGLIPLIRSA-N -1 3 362.430 0.836 10 0 FCAEHM CC(C)OCCC(=O)N1C[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@]2(C)C1 ZINC001736338968 1289265849 /nfs/dbraw/zinc/26/58/49/1289265849.db2.gz QHFQHOSVOJFKOA-ACJLOTCBSA-N -1 3 362.430 0.918 10 0 FCAEHM CO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001736461839 1289367352 /nfs/dbraw/zinc/36/73/52/1289367352.db2.gz LEIYQWZMAAGTBX-OKFJQDPLSA-N -1 3 371.393 0.467 10 0 FCAEHM COCCC1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cnc[n-]c2=O)C3)CC1 ZINC001736560465 1289442080 /nfs/dbraw/zinc/44/20/80/1289442080.db2.gz IIVQLYLYAOLAFM-BNOWGMLFSA-N -1 3 360.414 0.861 10 0 FCAEHM COCC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)CCc2c(C)nc[n-]c2=O)C1 ZINC001736607351 1289472900 /nfs/dbraw/zinc/47/29/00/1289472900.db2.gz XDSNLOHBCOYWTP-UGSOOPFHSA-N -1 3 362.430 0.567 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@H](NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C(C)C ZINC001738336122 1289663589 /nfs/dbraw/zinc/66/35/89/1289663589.db2.gz IRVJSDITECFVMA-MQYQWHSLSA-N -1 3 362.430 0.929 10 0 FCAEHM O=C(N[C@H](CO)CNC(=O)[C@]12C[C@H]1CCC2)c1nnc2ccccc2c1[O-] ZINC001738899113 1289758536 /nfs/dbraw/zinc/75/85/36/1289758536.db2.gz FEBVYDVMRAOSAT-UYSIFFEZSA-N -1 3 370.409 0.733 10 0 FCAEHM C[C@H](C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1cnccn1 ZINC001617356042 1289834994 /nfs/dbraw/zinc/83/49/94/1289834994.db2.gz AMHUENHTHPTKJK-JTQLQIEISA-N -1 3 370.381 0.953 10 0 FCAEHM C[C@@H]1OCC[C@@]1(O)CNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001618089141 1289885186 /nfs/dbraw/zinc/88/51/86/1289885186.db2.gz HZWORYFJIIOBFV-DYZYQPBXSA-N -1 3 363.345 0.144 10 0 FCAEHM C[C@@H]1OCC[C@@]1(O)CNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001618089141 1289885201 /nfs/dbraw/zinc/88/52/01/1289885201.db2.gz HZWORYFJIIOBFV-DYZYQPBXSA-N -1 3 363.345 0.144 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)[C@@]2(C(=O)OC)C[C@H]2c2ccccc2)n[n-]1 ZINC001618402900 1289903762 /nfs/dbraw/zinc/90/37/62/1289903762.db2.gz DFBWOZGXSIFGAM-APPDUMDISA-N -1 3 358.354 0.806 10 0 FCAEHM CC[C@H](C)C(=O)N[C@@H]1CN(C(=O)Cc2c(C)nc(C)[n-]c2=O)C[C@H]1O ZINC001739397795 1289912978 /nfs/dbraw/zinc/91/29/78/1289912978.db2.gz DVPNQFFHZCSTEV-CUOATXAZSA-N -1 3 350.419 0.076 10 0 FCAEHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)[C@@]3(C)CCNC3=O)c2)[n-]1 ZINC001618521185 1289915622 /nfs/dbraw/zinc/91/56/22/1289915622.db2.gz JJSHFOXXLAJOOI-SFHVURJKSA-N -1 3 371.397 0.791 10 0 FCAEHM CCOC(=O)c1nc(-c2cccc(CNC(=O)[C@@]3(C)CCNC3=O)c2)n[n-]1 ZINC001618521185 1289915631 /nfs/dbraw/zinc/91/56/31/1289915631.db2.gz JJSHFOXXLAJOOI-SFHVURJKSA-N -1 3 371.397 0.791 10 0 FCAEHM CCC[C@H](OC)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001702277417 1289949948 /nfs/dbraw/zinc/94/99/48/1289949948.db2.gz PQEHSSDILNJCTQ-RTXFEEFZSA-N -1 3 350.419 0.882 10 0 FCAEHM CC(=O)N[C@H]1CCCN(C(=O)CN2Cc3nc(C4CC4)[n-]c(=O)c3C2)C1 ZINC001620551098 1289998628 /nfs/dbraw/zinc/99/86/28/1289998628.db2.gz HYRWNKWJPVMCKF-ZDUSSCGKSA-N -1 3 359.430 0.502 10 0 FCAEHM CC[C@@H](C)C(=O)N[C@@H]1CN(C(=O)Cc2c(C)nc(C)[n-]c2=O)C[C@@H]1O ZINC001702332300 1290065147 /nfs/dbraw/zinc/06/51/47/1290065147.db2.gz DVPNQFFHZCSTEV-FZQKWOKYSA-N -1 3 350.419 0.076 10 0 FCAEHM CCC[C@@H](C(=O)N1C[C@@H](NC(=O)c2c(C)nc[n-]c2=O)[C@@H](O)C1)C(C)C ZINC001702380512 1290169588 /nfs/dbraw/zinc/16/95/88/1290169588.db2.gz BRBMSPPYZZYHCD-MCIONIFRSA-N -1 3 364.446 0.864 10 0 FCAEHM C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001624946292 1290307822 /nfs/dbraw/zinc/30/78/22/1290307822.db2.gz XTUBCFBYWVHRSQ-MNOVXSKESA-N -1 3 374.372 0.600 10 0 FCAEHM C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001624946292 1290307834 /nfs/dbraw/zinc/30/78/34/1290307834.db2.gz XTUBCFBYWVHRSQ-MNOVXSKESA-N -1 3 374.372 0.600 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NCC[C@@H]2CNC(=O)C2)ccc1F ZINC001625643055 1290357326 /nfs/dbraw/zinc/35/73/26/1290357326.db2.gz FCTNJVTWPDZIBU-NSHDSACASA-N -1 3 371.434 0.768 10 0 FCAEHM COC[C@H](C)CC(=O)N[C@@H]1CC[C@H](CNC(=O)c2cnc[n-]c2=O)C1 ZINC001739888713 1290424320 /nfs/dbraw/zinc/42/43/20/1290424320.db2.gz NSQKGTZPWQFYGJ-FRRDWIJNSA-N -1 3 350.419 0.870 10 0 FCAEHM O=C(CCc1ccncn1)N[C@@H]1CC[C@H](CNC(=O)c2cnc[n-]c2=O)C1 ZINC001739888966 1290424398 /nfs/dbraw/zinc/42/43/98/1290424398.db2.gz SGCWTLGJRRQSJD-GXTWGEPZSA-N -1 3 370.413 0.620 10 0 FCAEHM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC001739906782 1290435646 /nfs/dbraw/zinc/43/56/46/1290435646.db2.gz HMNYMVRKODQCQI-MBNYWOFBSA-N -1 3 359.434 0.432 10 0 FCAEHM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC1CCN(Cc2cccnc2)CC1 ZINC001628198943 1290515411 /nfs/dbraw/zinc/51/54/11/1290515411.db2.gz SNTFRQQZXREDHW-UHFFFAOYSA-N -1 3 359.386 0.686 10 0 FCAEHM CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001628251686 1290520466 /nfs/dbraw/zinc/52/04/66/1290520466.db2.gz MJFISKOAOPPBHZ-IINYFYTJSA-N -1 3 356.448 0.538 10 0 FCAEHM COCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1c(C)[n-][nH]c1=O ZINC001628274782 1290523442 /nfs/dbraw/zinc/52/34/42/1290523442.db2.gz PSERXOUNYDQACQ-NEPJUHHUSA-N -1 3 356.423 0.544 10 0 FCAEHM CS(=O)(=O)c1ccc(CCC(=O)NCCCc2cc(=O)[nH][n-]2)cc1 ZINC001629043318 1290573322 /nfs/dbraw/zinc/57/33/22/1290573322.db2.gz LMFPLTKZGGQRGB-UHFFFAOYSA-N -1 3 351.428 0.795 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)NC[C@@]1(C)CCN(C(=O)c2cnc[n-]c2=O)C1 ZINC001748163446 1290597208 /nfs/dbraw/zinc/59/72/08/1290597208.db2.gz FXZYBEFRNFVTJT-UVBSCNOISA-N -1 3 362.430 0.966 10 0 FCAEHM O=C(NC[C@@]1(O)CCSC1)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001629538906 1290606297 /nfs/dbraw/zinc/60/62/97/1290606297.db2.gz QILSPXYFEMNHED-INIZCTEOSA-N -1 3 365.386 0.472 10 0 FCAEHM O=C(NC[C@@]1(O)CCSC1)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001629538906 1290606305 /nfs/dbraw/zinc/60/63/05/1290606305.db2.gz QILSPXYFEMNHED-INIZCTEOSA-N -1 3 365.386 0.472 10 0 FCAEHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCN(C)C[C@@H]2CO)c1 ZINC001630707212 1290688865 /nfs/dbraw/zinc/68/88/65/1290688865.db2.gz KYGJDMCRZNVDRZ-CYBMUJFWSA-N -1 3 374.397 0.689 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NCC[C@@H]1CN(C(=O)c2ccncn2)C[C@H]1C ZINC001757665330 1290799328 /nfs/dbraw/zinc/79/93/28/1290799328.db2.gz FKQLIZPYWORTPQ-DGCLKSJQSA-N -1 3 370.413 0.809 10 0 FCAEHM O=C(NC[C@@H](NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CC1)c1cnc[n-]c1=O ZINC001758619162 1290834978 /nfs/dbraw/zinc/83/49/78/1290834978.db2.gz HDTRVKUGWMEFFO-JLSALUQPSA-N -1 3 358.398 0.230 10 0 FCAEHM C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001644260782 1290950633 /nfs/dbraw/zinc/95/06/33/1290950633.db2.gz GMDKJWFOAAABBL-BFUOFWGJSA-N -1 3 370.409 0.838 10 0 FCAEHM COc1cccc([O-])c1C(=O)NCC(=O)NCC(=O)NCc1ccccc1 ZINC001644337341 1290956839 /nfs/dbraw/zinc/95/68/39/1290956839.db2.gz GZOLVHPGQISDJG-UHFFFAOYSA-N -1 3 371.393 0.563 10 0 FCAEHM COC(=O)[C@@H](Cc1cncs1)NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC001644894416 1290993938 /nfs/dbraw/zinc/99/39/38/1290993938.db2.gz QLKQJGLAPSBDCA-GFCCVEGCSA-N -1 3 350.400 0.699 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCCN=S(C)(C)=O)ccc1F ZINC001645078686 1291002202 /nfs/dbraw/zinc/00/22/02/1291002202.db2.gz QRMLYLGCWGWJLK-UHFFFAOYSA-N -1 3 351.425 0.191 10 0 FCAEHM Cc1c(C(=O)NCc2cc(=O)[n-]c(C3CC3)n2)cnn1-c1ccc(=O)[nH]n1 ZINC001645196218 1291008505 /nfs/dbraw/zinc/00/85/05/1291008505.db2.gz OHPITQDSAVDJGI-UHFFFAOYSA-N -1 3 367.369 0.979 10 0 FCAEHM CS(=O)(=O)NCCc1ccc(C(=O)NCCCc2c[n-][nH]c2=O)cc1 ZINC001647858350 1291078959 /nfs/dbraw/zinc/07/89/59/1291078959.db2.gz HCPFJKJYVITADP-AWEZNQCLSA-N -1 3 366.443 0.020 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCOC[C@@H]2CNC(=O)NC)c1 ZINC001650773452 1291178922 /nfs/dbraw/zinc/17/89/22/1291178922.db2.gz LDSVDDQBKKCFTM-LBPRGKRZSA-N -1 3 362.386 0.287 10 0 FCAEHM CC(C)OC(=O)c1cc(NC(=O)[C@H]2CC(=O)N(c3cnn(C)c3)C2)[n-]n1 ZINC001652736550 1291296213 /nfs/dbraw/zinc/29/62/13/1291296213.db2.gz KHQOQLLUAZMDIF-JTQLQIEISA-N -1 3 360.374 0.700 10 0 FCAEHM CC(C)OC(=O)c1cc(NC(=O)[C@H]2CC(=O)N(c3cnn(C)c3)C2)n[n-]1 ZINC001652736550 1291296222 /nfs/dbraw/zinc/29/62/22/1291296222.db2.gz KHQOQLLUAZMDIF-JTQLQIEISA-N -1 3 360.374 0.700 10 0 FCAEHM NC(=O)C12CCC(CC1)N2C(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001653005622 1291316721 /nfs/dbraw/zinc/31/67/21/1291316721.db2.gz KMAYAXOFTGNZHG-UHFFFAOYSA-N -1 3 372.356 0.496 10 0 FCAEHM NC(=O)C12CCC(CC1)N2C(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001653005622 1291316731 /nfs/dbraw/zinc/31/67/31/1291316731.db2.gz KMAYAXOFTGNZHG-UHFFFAOYSA-N -1 3 372.356 0.496 10 0 FCAEHM O=C(Cn1ncc2ccccc2c1=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001653309593 1291334219 /nfs/dbraw/zinc/33/42/19/1291334219.db2.gz GKJSZQIJFBLDTN-CYBMUJFWSA-N -1 3 366.381 0.287 10 0 FCAEHM CNS(=O)(=O)C[C@@H]1CCCN(Cc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC001654412864 1291409098 /nfs/dbraw/zinc/40/90/98/1291409098.db2.gz YSGKYCIMODIGGE-LLVKDONJSA-N -1 3 356.448 0.016 10 0 FCAEHM COC(=O)C[C@H]1CS(=O)(=O)CCN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001654472420 1291412699 /nfs/dbraw/zinc/41/26/99/1291412699.db2.gz UIKZWKIZHQEZAY-LBPRGKRZSA-N -1 3 355.416 0.222 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N1CCC[C@H]1C[C@@]1(C)NC(=O)NC1=O ZINC001654565941 1291417965 /nfs/dbraw/zinc/41/79/65/1291417965.db2.gz HEBHGQRQKDPRRY-APPDUMDISA-N -1 3 361.402 0.402 10 0 FCAEHM O=C(CNC(=O)c1ccc([O-])cc1)Nc1ccc(O[C@@H]2CC(=O)N2)cc1 ZINC001654569019 1291418577 /nfs/dbraw/zinc/41/85/77/1291418577.db2.gz ZLVLKFXRIGMNRR-QGZVFWFLSA-N -1 3 355.350 0.986 10 0 FCAEHM O[C@@H](CN1CCC(Cc2nn[n-]n2)CC1)c1cc(Br)no1 ZINC001654682544 1291426880 /nfs/dbraw/zinc/42/68/80/1291426880.db2.gz AHXGVBUBQUNGCB-VIFPVBQESA-N -1 3 357.212 0.938 10 0 FCAEHM O=C(N[C@H]1CCS(=O)(=O)C2(CCC2)C1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001654832521 1291439123 /nfs/dbraw/zinc/43/91/23/1291439123.db2.gz UVVSFXJZNCKWIV-NSHDSACASA-N -1 3 362.407 0.800 10 0 FCAEHM O=C(NCC[C@H]1CNC(=O)C1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001675807827 1292185457 /nfs/dbraw/zinc/18/54/57/1292185457.db2.gz HPPATMKKRZLKSD-CYBMUJFWSA-N -1 3 360.414 0.386 10 0 FCAEHM O=C(NCC[C@@H](Cc1ccccc1)NCc1n[nH]c(=O)[n-]1)[C@]12C[C@H]1COC2 ZINC001676899301 1292219737 /nfs/dbraw/zinc/21/97/37/1292219737.db2.gz XGIROZRRQJFMKD-DOXZYTNZSA-N -1 3 371.441 0.754 10 0 FCAEHM CC(C)OC[C@H](CO)N(C)C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001685644694 1292580718 /nfs/dbraw/zinc/58/07/18/1292580718.db2.gz GNQCNONMURUMKR-OLZOCXBDSA-N -1 3 353.423 0.188 10 0 FCAEHM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001685645076 1292581157 /nfs/dbraw/zinc/58/11/57/1292581157.db2.gz MAQYRJABWZWRIP-UTUOFQBUSA-N -1 3 371.463 0.224 10 0 FCAEHM CCOC(=O)[C@@H](C)C1CN(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)C1 ZINC001685649295 1292583166 /nfs/dbraw/zinc/58/31/66/1292583166.db2.gz GWZRDPFUOVRIFC-AAEUAGOBSA-N -1 3 363.418 0.602 10 0 FCAEHM COCCCn1cc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cn[n-]n2)C3)cn1 ZINC001686203643 1292822594 /nfs/dbraw/zinc/82/25/94/1292822594.db2.gz CEMCMAJLYYIVJF-NFAWXSAZSA-N -1 3 373.417 0.213 10 0 FCAEHM O=C(NCc1nc(C(F)(F)F)n[n-]1)NCC1(C2(O)CCOCC2)CC1 ZINC001686215782 1292832375 /nfs/dbraw/zinc/83/23/75/1292832375.db2.gz RGHYHWVLAAHEPC-UHFFFAOYSA-N -1 3 363.340 0.944 10 0 FCAEHM COC[C@H](NC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)[C@H]1CCCO1 ZINC001686303210 1292894760 /nfs/dbraw/zinc/89/47/60/1292894760.db2.gz CSIMKNDTLSHUBG-RWMBFGLXSA-N -1 3 351.407 0.254 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)NCCNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001686799846 1292959573 /nfs/dbraw/zinc/95/95/73/1292959573.db2.gz NWUKJTYJHSIPNC-OCCSQVGLSA-N -1 3 359.382 0.231 10 0 FCAEHM CCOC(OCC)[C@@H](C)NC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001687789994 1293014125 /nfs/dbraw/zinc/01/41/25/1293014125.db2.gz RCABDWCHZTWOLC-VXGBXAGGSA-N -1 3 353.423 0.848 10 0 FCAEHM COC(=O)Nc1ccc(C(=O)OCC(=O)N2CCO[C@H](C)C2)cc1[O-] ZINC000745654785 836145228 /nfs/dbraw/zinc/14/52/28/836145228.db2.gz XVNNNANYMGAYOS-SNVBAGLBSA-N -1 3 352.343 0.975 10 0 FCAEHM O=C1[C@H]([N-]S(=O)(=O)c2cccnc2Cl)CCN1C1CCOCC1 ZINC000747295069 836233080 /nfs/dbraw/zinc/23/30/80/836233080.db2.gz YYQWBURPYJSPRY-LLVKDONJSA-N -1 3 359.835 0.793 10 0 FCAEHM O=C1[C@@H]([N-]S(=O)(=O)c2cccnc2Cl)CCN1C1CCOCC1 ZINC000747295071 836233467 /nfs/dbraw/zinc/23/34/67/836233467.db2.gz YYQWBURPYJSPRY-NSHDSACASA-N -1 3 359.835 0.793 10 0 FCAEHM CC(C)OCCS(=O)(=O)[N-]CC(=O)OCc1ccc2c(c1)OCCO2 ZINC000748149732 836287213 /nfs/dbraw/zinc/28/72/13/836287213.db2.gz QZHRWVVZYMZJMW-UHFFFAOYSA-N -1 3 373.427 0.845 10 0 FCAEHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@@H]2CCC(=O)N(C)C2)c1F ZINC000749183059 836346318 /nfs/dbraw/zinc/34/63/18/836346318.db2.gz UJOCWJHQWSVZFB-MRVPVSSYSA-N -1 3 362.354 0.651 10 0 FCAEHM O=C(NCc1nc(C(F)(F)F)n[n-]1)C(=O)N1CCC[C@@](O)(C2CC2)C1 ZINC001118649960 847516653 /nfs/dbraw/zinc/51/66/53/847516653.db2.gz RZHBVQAGUZROLZ-ZDUSSCGKSA-N -1 3 361.324 0.203 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@@H]2CCNC(=O)CC2)c(Br)n1 ZINC001118940725 847644844 /nfs/dbraw/zinc/64/48/44/847644844.db2.gz QTMWRIIVCYNONO-ZETCQYMHSA-N -1 3 351.226 0.130 10 0 FCAEHM C[C@@H]1CSCCCN1C(=O)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC001119788875 847979313 /nfs/dbraw/zinc/97/93/13/847979313.db2.gz WMRZEUIATBKYSK-SSDOTTSWSA-N -1 3 351.354 0.794 10 0 FCAEHM Clc1nnc(-c2nnc(N3C[C@@H]4COC[C@@H]4C3)n2C[C@@H]2CCOC2)[n-]1 ZINC001123122898 848570845 /nfs/dbraw/zinc/57/08/45/848570845.db2.gz NCWAJWAHZLARDS-GARJFASQSA-N -1 3 365.825 0.836 10 0 FCAEHM Clc1nc(-c2nnc(N3C[C@@H]4COC[C@@H]4C3)n2C[C@@H]2CCOC2)n[n-]1 ZINC001123122898 848570852 /nfs/dbraw/zinc/57/08/52/848570852.db2.gz NCWAJWAHZLARDS-GARJFASQSA-N -1 3 365.825 0.836 10 0 FCAEHM O=C(Cn1cc(Br)cn1)N1CCC(Cc2nnn[n-]2)CC1 ZINC001123894067 848650654 /nfs/dbraw/zinc/65/06/54/848650654.db2.gz AILBCDMXLZSZRE-UHFFFAOYSA-N -1 3 354.212 0.640 10 0 FCAEHM O=C(Cn1cc(Br)cn1)N1CCC(Cc2nn[n-]n2)CC1 ZINC001123894067 848650663 /nfs/dbraw/zinc/65/06/63/848650663.db2.gz AILBCDMXLZSZRE-UHFFFAOYSA-N -1 3 354.212 0.640 10 0 FCAEHM C[C@]1(C(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)CCNC(=O)C1 ZINC001126924323 848713949 /nfs/dbraw/zinc/71/39/49/848713949.db2.gz SHJGHJQCMTWKIK-HNNXBMFYSA-N -1 3 357.407 0.730 10 0 FCAEHM C[C@H](NC(=O)/C=C1/SCC(=O)N1C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001140273124 849359448 /nfs/dbraw/zinc/35/94/48/849359448.db2.gz UTHYESJBKKFVKH-CZYGQQSCSA-N -1 3 364.427 0.913 10 0 FCAEHM C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001144503395 849524399 /nfs/dbraw/zinc/52/43/99/849524399.db2.gz WBDPHWWWDRKMQE-BREBYQMCSA-N -1 3 354.407 0.705 10 0 FCAEHM COc1ccc(S(=O)(=O)CCC(=O)NCCCc2c[n-][nH]c2=O)cc1 ZINC001149262323 849634075 /nfs/dbraw/zinc/63/40/75/849634075.db2.gz LDCNUJITNJDWCJ-LBPRGKRZSA-N -1 3 367.427 0.487 10 0 FCAEHM CC(C)(C)OC(=O)NCCOCC(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001164320725 850406796 /nfs/dbraw/zinc/40/67/96/850406796.db2.gz CSOLXICDKCUHCW-LLVKDONJSA-N -1 3 354.407 0.973 10 0 FCAEHM NS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)s1 ZINC001164323723 850408056 /nfs/dbraw/zinc/40/80/56/850408056.db2.gz YUVDXXVBKVRKMM-MRVPVSSYSA-N -1 3 356.429 0.383 10 0 FCAEHM C[C@@H](Sc1nc(CC(=O)NCCCc2c[n-][nH]c2=O)cs1)C(N)=O ZINC001168402056 850584779 /nfs/dbraw/zinc/58/47/79/850584779.db2.gz CTOPPXBBVDBSHW-BDAKNGLRSA-N -1 3 369.472 0.280 10 0 FCAEHM CCOc1nnc(NC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]32)[n-]1 ZINC001174745469 850746420 /nfs/dbraw/zinc/74/64/20/850746420.db2.gz QSKHRLSTATYVAJ-WCABBAIRSA-N -1 3 354.436 0.868 10 0 FCAEHM CCOc1nc(NC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]32)n[n-]1 ZINC001174745469 850746427 /nfs/dbraw/zinc/74/64/27/850746427.db2.gz QSKHRLSTATYVAJ-WCABBAIRSA-N -1 3 354.436 0.868 10 0 FCAEHM CCOc1n[n-]c(NC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]32)n1 ZINC001174745469 850746431 /nfs/dbraw/zinc/74/64/31/850746431.db2.gz QSKHRLSTATYVAJ-WCABBAIRSA-N -1 3 354.436 0.868 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC(C(=O)NOC)CC2)c(C)o1 ZINC001177096825 850825287 /nfs/dbraw/zinc/82/52/87/850825287.db2.gz BEVGSMDSKPEJIU-UHFFFAOYSA-N -1 3 359.404 0.026 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)CCCCNC(N)=O)CC2)n1 ZINC001178695882 850918798 /nfs/dbraw/zinc/91/87/98/850918798.db2.gz TUIYDIMPIZTAFR-UHFFFAOYSA-N -1 3 350.423 0.414 10 0 FCAEHM O=C(CC[C@@H]1CC[C@H](C2OCCO2)O1)Nc1n[n-]c(SCCO)n1 ZINC001182930755 851209193 /nfs/dbraw/zinc/20/91/93/851209193.db2.gz GEBRKMTZUWAOQR-VHSXEESVSA-N -1 3 358.420 0.528 10 0 FCAEHM C[C@@H]1COCCN1CC[N-]S(=O)(=O)c1cn(C)nc1Br ZINC001330368213 872596698 /nfs/dbraw/zinc/59/66/98/872596698.db2.gz XHNGANVUBWLZRX-SECBINFHSA-N -1 3 367.269 0.182 10 0 FCAEHM CO[C@H](CS(=O)(=O)N1CCc2nc[n-]c(=O)c2C1)C1CCOCC1 ZINC001261454776 858553068 /nfs/dbraw/zinc/55/30/68/858553068.db2.gz QWBKOGLXGFPJLQ-CQSZACIVSA-N -1 3 357.432 0.312 10 0 FCAEHM O=C([N-]C[C@H]1CCCN(C(=O)NCC[C@@H]2CNC(=O)C2)C1)C(F)(F)F ZINC001262206418 858818390 /nfs/dbraw/zinc/81/83/90/858818390.db2.gz BAATXJYCCFRDOW-WDEREUQCSA-N -1 3 364.368 0.613 10 0 FCAEHM CC(C)[C@@H](CNC(=O)[C@@H]1CCO[C@H]1C1CC1)NCc1nc(=O)n(C)[n-]1 ZINC001268218392 859525486 /nfs/dbraw/zinc/52/54/86/859525486.db2.gz CGIDEWCPAYGHBT-NFAWXSAZSA-N -1 3 351.451 0.154 10 0 FCAEHM CCSCCC(=O)N1CC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)[C@@H]2C1 ZINC001281969231 864009094 /nfs/dbraw/zinc/00/90/94/864009094.db2.gz BWDTWBRACXDVDQ-DGCLKSJQSA-N -1 3 350.444 0.998 10 0 FCAEHM CCO[C@H](C)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001282102365 864053857 /nfs/dbraw/zinc/05/38/57/864053857.db2.gz LYXJJJZUHPQXMT-FRRDWIJNSA-N -1 3 350.419 0.930 10 0 FCAEHM CC[C@H](C(=O)N[C@@H]1CC[C@H](CNC(=O)c2[nH]nc(C)c2[O-])C1)N(C)C ZINC001282109816 864060430 /nfs/dbraw/zinc/06/04/30/864060430.db2.gz JTNSYHQIGMNJKT-YNEHKIRRSA-N -1 3 351.451 0.779 10 0 FCAEHM CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2cnc[n-]c2=O)C1 ZINC001282546230 864338450 /nfs/dbraw/zinc/33/84/50/864338450.db2.gz MTZWVBHPLQJIFJ-JHJVBQTASA-N -1 3 350.419 0.822 10 0 FCAEHM COC(=O)c1cc([N-]C(=O)c2nnn(C)n2)c(Cl)cc1NC(C)=O ZINC001288745302 864802889 /nfs/dbraw/zinc/80/28/89/864802889.db2.gz FWBQBWACRQQOEX-UHFFFAOYSA-N -1 3 352.738 0.861 10 0 FCAEHM C[C@@H](NS(C)(=O)=O)C(=O)N[C@H]1CCN(C(=O)c2ccccc2[O-])[C@@H]1C ZINC001290736027 865508734 /nfs/dbraw/zinc/50/87/34/865508734.db2.gz FBARYUAWQKGLPN-WZRBSPASSA-N -1 3 369.443 0.049 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC001292968379 865766018 /nfs/dbraw/zinc/76/60/18/865766018.db2.gz OEOUBGILHMSBDS-ZDUSSCGKSA-N -1 3 352.416 0.179 10 0 FCAEHM Cn1cc(C(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)ccc1=O ZINC001294596287 865842952 /nfs/dbraw/zinc/84/29/52/865842952.db2.gz NBGPBJLPQXYRSO-UHFFFAOYSA-N -1 3 353.375 0.826 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)N(C)CCN(C)C(=O)c1c(C)nc[n-]c1=O ZINC001298101098 866089755 /nfs/dbraw/zinc/08/97/55/866089755.db2.gz QPAABBCPJNKHSC-OLZOCXBDSA-N -1 3 350.419 0.836 10 0 FCAEHM CCN(CCCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)Cc1nc(=O)n(C)[n-]1 ZINC001316897846 867508646 /nfs/dbraw/zinc/50/86/46/867508646.db2.gz PDJGYELDKARWGE-KCQAQPDRSA-N -1 3 351.451 0.252 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)c2cccc(C[S@](C)=O)c2)[n-]1 ZINC001320662768 868235511 /nfs/dbraw/zinc/23/55/11/868235511.db2.gz TXIHHLHEAQCOJK-DEOSSOPVSA-N -1 3 350.400 0.790 10 0 FCAEHM CS(=O)(=O)C1(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)CCOCC1 ZINC001326274926 870237336 /nfs/dbraw/zinc/23/73/36/870237336.db2.gz NZZQVUSIMDFGMQ-UHFFFAOYSA-N -1 3 365.415 0.077 10 0 FCAEHM CS(=O)(=O)C1(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC001326274926 870237348 /nfs/dbraw/zinc/23/73/48/870237348.db2.gz NZZQVUSIMDFGMQ-UHFFFAOYSA-N -1 3 365.415 0.077 10 0 FCAEHM Cc1nc(C)c(CC(=O)NC[C@@H]2CN(C(=O)C(F)F)C[C@H]2C)c(=O)[n-]1 ZINC001346088744 871641166 /nfs/dbraw/zinc/64/11/66/871641166.db2.gz DNUWEHJTAFTGES-LDYMZIIASA-N -1 3 356.373 0.817 10 0 FCAEHM CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)c1cn2c(n1)COCC2 ZINC001331489180 873123508 /nfs/dbraw/zinc/12/35/08/873123508.db2.gz OQTIXUYZGSTWJZ-UHFFFAOYSA-N -1 3 368.390 0.854 10 0 FCAEHM CN1CCC[C@H](C(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)C1=O ZINC001333111732 873805702 /nfs/dbraw/zinc/80/57/02/873805702.db2.gz QVMMBSFPWFPZTH-SNVBAGLBSA-N -1 3 357.407 0.682 10 0 FCAEHM O=C(CC1(O)CCOCC1)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001333283928 873893257 /nfs/dbraw/zinc/89/32/57/873893257.db2.gz CRQOQILJCIBHGN-LLVKDONJSA-N -1 3 352.353 0.835 10 0 FCAEHM COC[C@H]1CCN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000292728625 214120634 /nfs/dbraw/zinc/12/06/34/214120634.db2.gz NFPRKQSPVJGKFZ-SECBINFHSA-N -1 3 352.409 0.607 10 0 FCAEHM C[C@@H]1C[C@@H]1CNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000265986399 210261202 /nfs/dbraw/zinc/26/12/02/210261202.db2.gz YDCHUEKLUXSSNT-NXEZZACHSA-N -1 3 369.418 0.977 10 0 FCAEHM C[C@@H]1C[C@H](S(=O)(=O)NCC[N-]S(=O)(=O)c2cccs2)CCO1 ZINC000295208754 214283304 /nfs/dbraw/zinc/28/33/04/214283304.db2.gz UHFIWRWVZXQKIN-GHMZBOCLSA-N -1 3 368.502 0.513 10 0 FCAEHM C[C@@H]1C[C@@H](S(=O)(=O)NCC[N-]S(=O)(=O)c2cccs2)CCO1 ZINC000295208757 214283480 /nfs/dbraw/zinc/28/34/80/214283480.db2.gz UHFIWRWVZXQKIN-MNOVXSKESA-N -1 3 368.502 0.513 10 0 FCAEHM C[C@H]1C[C@H](S(=O)(=O)NCC[N-]S(=O)(=O)c2cccs2)CCO1 ZINC000295208762 214283851 /nfs/dbraw/zinc/28/38/51/214283851.db2.gz UHFIWRWVZXQKIN-WDEREUQCSA-N -1 3 368.502 0.513 10 0 FCAEHM CC[C@H](NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1)[C@@H](O)C(F)F ZINC000295578966 214306364 /nfs/dbraw/zinc/30/63/64/214306364.db2.gz WIHKHGFIGSEOGS-KHQFGBGNSA-N -1 3 356.416 0.936 10 0 FCAEHM CC[C@@H]([N-]S(=O)(=O)c1ccc(S(C)(=O)=O)nc1)[C@H](O)C(F)F ZINC000295659077 214311684 /nfs/dbraw/zinc/31/16/84/214311684.db2.gz GDZHJFBLKCWPFX-SCZZXKLOSA-N -1 3 358.388 0.168 10 0 FCAEHM CC1(C)C(=O)N(Cc2ccccc2)CCN1C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000295889353 214323275 /nfs/dbraw/zinc/32/32/75/214323275.db2.gz DWHVSBDOFZXJQB-ZDUSSCGKSA-N -1 3 358.398 0.234 10 0 FCAEHM C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000296249180 214340203 /nfs/dbraw/zinc/34/02/03/214340203.db2.gz WRTMYOFHSJVPIC-UWVGGRQHSA-N -1 3 368.381 0.888 10 0 FCAEHM CN(C[C@@H](O)c1ccccc1Br)C(=O)CN1CC(=O)[N-]C1=O ZINC000297271477 214389394 /nfs/dbraw/zinc/38/93/94/214389394.db2.gz VQPSLXXFYXYKIB-LLVKDONJSA-N -1 3 370.203 0.493 10 0 FCAEHM COC[C@@](C)([N-]S(=O)(=O)c1cnccc1C(F)(F)F)C(=O)OC ZINC000442743728 536807304 /nfs/dbraw/zinc/80/73/04/536807304.db2.gz CGYVNKWYMBMUKW-LLVKDONJSA-N -1 3 356.322 0.957 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000265722518 210206164 /nfs/dbraw/zinc/20/61/64/210206164.db2.gz ZSYABOMUSFTCCS-VHSXEESVSA-N -1 3 366.486 0.060 10 0 FCAEHM CN1CC[C@H](NC(=O)CN2CC(=O)[N-]C2=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246049626 529805583 /nfs/dbraw/zinc/80/55/83/529805583.db2.gz AVBJQKOKXLLQCI-SWLSCSKDSA-N -1 3 368.796 0.892 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000290344735 213953279 /nfs/dbraw/zinc/95/32/79/213953279.db2.gz KSQRVJCOXXRHOL-CHWSQXEVSA-N -1 3 373.475 0.825 10 0 FCAEHM COc1cccc(N2CCC[C@H](NC(=O)CC[C@@H]3NC(=O)[N-]C3=O)C2)c1 ZINC000265284674 210086789 /nfs/dbraw/zinc/08/67/89/210086789.db2.gz KJFUPAVZYBMXLJ-WFASDCNBSA-N -1 3 360.414 0.768 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCC1(C(N)=O)CCCC1 ZINC000265259033 210082305 /nfs/dbraw/zinc/08/23/05/210082305.db2.gz SCCNIYHMXRJDCX-NSHDSACASA-N -1 3 371.434 0.654 10 0 FCAEHM CC(C)N1CC[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)C1=O ZINC000265237099 210079873 /nfs/dbraw/zinc/07/98/73/210079873.db2.gz ICPPSDRQPGGMEF-WCQYABFASA-N -1 3 371.434 0.618 10 0 FCAEHM CC1(C)Cc2ccc(C(=O)NC[C@@H](O)CN3CCOCC3)c([O-])c2O1 ZINC000333119367 215237712 /nfs/dbraw/zinc/23/77/12/215237712.db2.gz ZOBCOYUQHCLVID-CYBMUJFWSA-N -1 3 350.415 0.529 10 0 FCAEHM O=C(C[C@H]1Sc2ccccc2NC1=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000333337142 215267360 /nfs/dbraw/zinc/26/73/60/215267360.db2.gz SAIBDVPRXQVIAL-PXAZEXFGSA-N -1 3 374.422 0.690 10 0 FCAEHM Cn1ccc([C@H](NC(=O)C[C@@H]2NC(=O)[N-]C2=O)c2ccc(Cl)cc2)n1 ZINC000364018282 215623332 /nfs/dbraw/zinc/62/33/32/215623332.db2.gz ZZKHWBAZTXHYEH-GXTWGEPZSA-N -1 3 361.789 0.877 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-][C@@H](c2nccn2C)C2CCOCC2)cn1C ZINC000284422222 213134511 /nfs/dbraw/zinc/13/45/11/213134511.db2.gz CMKCKVXRASMGNV-CQSZACIVSA-N -1 3 353.448 0.908 10 0 FCAEHM NS(=O)(=O)CCCCNC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC000412358575 237194629 /nfs/dbraw/zinc/19/46/29/237194629.db2.gz GIAQFHLZECEUNV-UHFFFAOYSA-N -1 3 357.819 0.980 10 0 FCAEHM COC[C@H]([N-]S(=O)(=O)C1CN(C(=O)c2ccccc2)C1)[C@H]1CCCO1 ZINC000366768808 216029140 /nfs/dbraw/zinc/02/91/40/216029140.db2.gz HHEHNTGBGHTLQT-JKSUJKDBSA-N -1 3 368.455 0.624 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCOC[C@@H]1Cc1c[nH]c2ccccc12 ZINC000367022600 216064373 /nfs/dbraw/zinc/06/43/73/216064373.db2.gz IZSCVADQMGICLW-WFASDCNBSA-N -1 3 356.382 0.536 10 0 FCAEHM Cc1ccc2[n-]cc(C(=O)N3CC(n4cc(C(N)=O)nn4)C3)c(=O)c2c1 ZINC000367270104 216099794 /nfs/dbraw/zinc/09/97/94/216099794.db2.gz JTXWWDNUMFRCFE-UHFFFAOYSA-N -1 3 352.354 0.224 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000367284522 216101864 /nfs/dbraw/zinc/10/18/64/216101864.db2.gz DJVPGCLMDBVJJE-NEPJUHHUSA-N -1 3 371.484 0.544 10 0 FCAEHM C[C@@H]1CCOCCN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000367672765 216148393 /nfs/dbraw/zinc/14/83/93/216148393.db2.gz OBYBQYRAGBLIAN-SNVBAGLBSA-N -1 3 366.436 0.997 10 0 FCAEHM CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000367821770 216167795 /nfs/dbraw/zinc/16/77/95/216167795.db2.gz SVJYSSGTZPYCRX-UHFFFAOYSA-N -1 3 355.412 0.975 10 0 FCAEHM CCCCOC(=O)C[N-]S(=O)(=O)C1CN(C(=O)c2ccccc2)C1 ZINC000367885486 216175725 /nfs/dbraw/zinc/17/57/25/216175725.db2.gz LNJDCDVPVYSZFW-UHFFFAOYSA-N -1 3 354.428 0.774 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N1CCNC[C@@H]1C(F)F ZINC000367996174 216191048 /nfs/dbraw/zinc/19/10/48/216191048.db2.gz FOFBGTYGECADOX-GFCCVEGCSA-N -1 3 352.341 0.558 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CCC[C@@H](OCCO)C1 ZINC000368085168 216201346 /nfs/dbraw/zinc/20/13/46/216201346.db2.gz JYKBTAHYLFFURH-GDBMZVCRSA-N -1 3 362.426 0.997 10 0 FCAEHM O=C(CC[C@@H]1NC(=O)[N-]C1=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000246217693 209380751 /nfs/dbraw/zinc/38/07/51/209380751.db2.gz URMFBNKPNIXTBD-SKDRFNHKSA-N -1 3 352.341 0.648 10 0 FCAEHM CN1CC[C@H](NC(=O)CC[C@@H]2NC(=O)[N-]C2=O)[C@@H]1c1ccc(F)c(F)c1 ZINC000245712162 209374836 /nfs/dbraw/zinc/37/48/36/209374836.db2.gz TYJJTTWUMWAMDP-YDHLFZDLSA-N -1 3 366.368 0.814 10 0 FCAEHM Cn1cc(C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c(-c2cccs2)n1 ZINC000195001838 209331878 /nfs/dbraw/zinc/33/18/78/209331878.db2.gz SAYNGSKQLFLNSW-MRXNPFEDSA-N -1 3 359.411 0.963 10 0 FCAEHM O=C(c1ccn(-c2ccc(F)cc2)n1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000195011572 209331463 /nfs/dbraw/zinc/33/14/63/209331463.db2.gz BXEDDGWQASDMSE-QGZVFWFLSA-N -1 3 357.345 0.826 10 0 FCAEHM O=C1[N-]C(=O)[C@]2(CCCN([C@@H]3CCCN(c4cccc(F)c4)C3=O)C2)N1 ZINC000192665960 209302413 /nfs/dbraw/zinc/30/24/13/209302413.db2.gz XSDOPMBERIPAAO-RDTXWAMCSA-N -1 3 360.389 0.995 10 0 FCAEHM O=C([C@H]1CC(=O)Nc2cc(F)ccc21)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279463096 212554642 /nfs/dbraw/zinc/55/46/42/212554642.db2.gz LGNPDBBFBGMBOF-APPDUMDISA-N -1 3 360.345 0.452 10 0 FCAEHM CN(CC1(O)CCOCC1)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000368733575 216289304 /nfs/dbraw/zinc/28/93/04/216289304.db2.gz PSIVFJXMAASUGW-HNNXBMFYSA-N -1 3 362.426 0.997 10 0 FCAEHM O=C(Nc1cccc(C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1)NC1CC1 ZINC000279345086 212540577 /nfs/dbraw/zinc/54/05/77/212540577.db2.gz BZKQOOZNIGATDG-GOSISDBHSA-N -1 3 371.397 0.785 10 0 FCAEHM COCC[C@@H]1CCCCN(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)C1 ZINC000368761522 216293679 /nfs/dbraw/zinc/29/36/79/216293679.db2.gz LDAHTHKSJOGSKG-ZDUSSCGKSA-N -1 3 358.464 0.364 10 0 FCAEHM O=C(c1ccccc1)N1CC(S(=O)(=O)[N-]Cc2nnc(C3CC3)o2)C1 ZINC000369102612 216347909 /nfs/dbraw/zinc/34/79/09/216347909.db2.gz VAWIAEYDWNDIML-UHFFFAOYSA-N -1 3 362.411 0.891 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(c3cc(C)[nH]n3)CC2)c(C)o1 ZINC000189798808 209261367 /nfs/dbraw/zinc/26/13/67/209261367.db2.gz GPWMQVMDPBPLKF-UHFFFAOYSA-N -1 3 367.431 0.490 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000277806971 212399737 /nfs/dbraw/zinc/39/97/37/212399737.db2.gz GUHRBFFGUUDTLG-VIFPVBQESA-N -1 3 354.354 0.499 10 0 FCAEHM CCOC1CC(O)(CNC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000277566006 212374162 /nfs/dbraw/zinc/37/41/62/212374162.db2.gz AUCGYGLRSSAHDY-FZWSLVFFSA-N -1 3 374.434 0.539 10 0 FCAEHM COC(=O)c1sccc1S(=O)(=O)[N-]C(C)(C)[C@H](O)C(=O)OC ZINC000277087105 212326562 /nfs/dbraw/zinc/32/65/62/212326562.db2.gz RINJSMWSWWBZDY-SECBINFHSA-N -1 3 351.402 0.126 10 0 FCAEHM COC(=O)[C@H](O)C(C)(C)[N-]S(=O)(=O)c1cc(OC)ccc1Cl ZINC000277120751 212331562 /nfs/dbraw/zinc/33/15/62/212331562.db2.gz VHAABOWCOFIKRW-NSHDSACASA-N -1 3 351.808 0.939 10 0 FCAEHM COC(=O)[C@H](O)C(C)(C)[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000276856911 212298401 /nfs/dbraw/zinc/29/84/01/212298401.db2.gz AFSDNMYKHNWKFD-VIFPVBQESA-N -1 3 367.221 0.435 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(C[C@H](C)O)[C@@H](C)CO ZINC000276260298 212198448 /nfs/dbraw/zinc/19/84/48/212198448.db2.gz FPHIVENASYFUMR-QWRGUYRKSA-N -1 3 372.443 0.762 10 0 FCAEHM CCOC(=O)c1cn[n-]c1S(=O)(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC ZINC000276177660 212179393 /nfs/dbraw/zinc/17/93/93/212179393.db2.gz VCNIKZWBRRIEKE-NHCYSSNCSA-N -1 3 371.415 0.549 10 0 FCAEHM CCOC(=O)c1c[n-]nc1S(=O)(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC ZINC000276177660 212179395 /nfs/dbraw/zinc/17/93/95/212179395.db2.gz VCNIKZWBRRIEKE-NHCYSSNCSA-N -1 3 371.415 0.549 10 0 FCAEHM CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[N-]S(=O)(=O)[C@H]1CCO[C@@H]1C ZINC000276063516 212150108 /nfs/dbraw/zinc/15/01/08/212150108.db2.gz QGDICMAOBLKDDL-RLCCDNCMSA-N -1 3 365.455 0.922 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNS(=O)(=O)[C@H]2CCO[C@@H]2C)s1 ZINC000276056824 212149337 /nfs/dbraw/zinc/14/93/37/212149337.db2.gz PLKYBLFMSGONSU-SCZZXKLOSA-N -1 3 354.475 0.253 10 0 FCAEHM COc1ccccc1N1CC[C@H]([N-]S(=O)(=O)[C@H]2CCO[C@H]2C)C1=O ZINC000276057152 212149161 /nfs/dbraw/zinc/14/91/61/212149161.db2.gz PRAVGAJMMOHNQZ-HUBLWGQQSA-N -1 3 354.428 0.897 10 0 FCAEHM C[C@@H]1OCC[C@@H]1S(=O)(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000275974646 212131822 /nfs/dbraw/zinc/13/18/22/212131822.db2.gz DBGUIPQWKGWKIO-UWVGGRQHSA-N -1 3 354.475 0.123 10 0 FCAEHM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@@H]1CCC[C@H]1O ZINC000275770684 212088067 /nfs/dbraw/zinc/08/80/67/212088067.db2.gz LTSRVACLKNJMSM-NWDGAFQWSA-N -1 3 362.473 0.376 10 0 FCAEHM C[C@@H](C(=O)N1CCO[C@@H](CN(C)CC(=O)[O-])C1)N(C)Cc1ccccc1 ZINC000275516557 212042432 /nfs/dbraw/zinc/04/24/32/212042432.db2.gz BZGHASOEKWSIGF-RDJZCZTQSA-N -1 3 363.458 0.751 10 0 FCAEHM CCCNC(=O)c1cccc(C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000373828908 217064714 /nfs/dbraw/zinc/06/47/14/217064714.db2.gz MTNYPXXJHBNYMK-SFHVURJKSA-N -1 3 358.398 0.641 10 0 FCAEHM COc1cccc2c1OCC(C(=O)N1CCC[C@]3(C1)NC(=O)[N-]C3=O)=C2 ZINC000373833758 217065866 /nfs/dbraw/zinc/06/58/66/217065866.db2.gz XGOKPQGOSIXZIQ-GOSISDBHSA-N -1 3 357.366 0.672 10 0 FCAEHM C[C@H]1[C@H](NC(=O)c2cn(C)c(=O)[n-]c2=O)CC(=O)N1Cc1ccccc1 ZINC000374263039 217113949 /nfs/dbraw/zinc/11/39/49/217113949.db2.gz NLRDVVUYDNTTAH-SMDDNHRTSA-N -1 3 356.382 0.405 10 0 FCAEHM COc1ccccc1COC1CCN(C(=O)CN2CC(=O)[N-]C2=O)CC1 ZINC000374275389 217115052 /nfs/dbraw/zinc/11/50/52/217115052.db2.gz UDLBGRWVOKIMLU-UHFFFAOYSA-N -1 3 361.398 0.755 10 0 FCAEHM CCOC(=O)c1cn[n-]c1S(=O)(=O)N1CCOc2nc(C)ccc21 ZINC000375000246 217201742 /nfs/dbraw/zinc/20/17/42/217201742.db2.gz VRXHVUDGQQWUDU-UHFFFAOYSA-N -1 3 352.372 0.878 10 0 FCAEHM CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CCOc2nc(C)ccc21 ZINC000375000246 217201744 /nfs/dbraw/zinc/20/17/44/217201744.db2.gz VRXHVUDGQQWUDU-UHFFFAOYSA-N -1 3 352.372 0.878 10 0 FCAEHM Cn1ncc2c1ncc(C(=O)N[C@@H]1CCCN(c3ncccn3)C1)c2[O-] ZINC000181802323 209121352 /nfs/dbraw/zinc/12/13/52/209121352.db2.gz CUJRLXOONTTWKO-LLVKDONJSA-N -1 3 353.386 0.863 10 0 FCAEHM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-][C@H]2C[C@@](C)(O)C2)c1 ZINC000416651054 245623016 /nfs/dbraw/zinc/62/30/16/245623016.db2.gz BAQRGGSBDUPXHM-AVCCJPFPSA-N -1 3 357.384 0.452 10 0 FCAEHM C[C@H]1CN(C(=O)NCc2nnc(C(F)(F)F)[n-]2)[C@@H](C)CN1CCO ZINC000419477028 246177031 /nfs/dbraw/zinc/17/70/31/246177031.db2.gz HGENGVSMYBRPAE-IUCAKERBSA-N -1 3 350.345 0.420 10 0 FCAEHM C[C@H]1CN(C(=O)NCc2n[n-]c(C(F)(F)F)n2)[C@@H](C)CN1CCO ZINC000419477028 246177034 /nfs/dbraw/zinc/17/70/34/246177034.db2.gz HGENGVSMYBRPAE-IUCAKERBSA-N -1 3 350.345 0.420 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]CCCCS(C)(=O)=O ZINC000425177587 247299894 /nfs/dbraw/zinc/29/98/94/247299894.db2.gz HFGDEXGETJZIGG-UHFFFAOYSA-N -1 3 367.445 0.786 10 0 FCAEHM Cn1ccc(=O)n(CCCNC(=O)c2ccc3c(c2[O-])CCCC3)c1=O ZINC000425278426 247314296 /nfs/dbraw/zinc/31/42/96/247314296.db2.gz KCMFXYGKGXAMGP-UHFFFAOYSA-N -1 3 357.410 0.952 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1C(F)(F)F)N[C@@H]1CC[C@H]1O ZINC000425328263 247325725 /nfs/dbraw/zinc/32/57/25/247325725.db2.gz SVCDLAGYTJKXPB-NXEZZACHSA-N -1 3 352.334 0.623 10 0 FCAEHM C[C@@H]1COCCN1CCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436676361 248045152 /nfs/dbraw/zinc/04/51/52/248045152.db2.gz OSSQWCZDXPHRQY-GDBMZVCRSA-N -1 3 361.442 0.834 10 0 FCAEHM CC(C)(CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])OCCO ZINC000436761451 248050158 /nfs/dbraw/zinc/05/01/58/248050158.db2.gz KCNYZAYVEBLFQT-CQSZACIVSA-N -1 3 350.415 0.901 10 0 FCAEHM O=C(NCCCn1ccnn1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436846021 248053572 /nfs/dbraw/zinc/05/35/72/248053572.db2.gz VJEYGBRBOSBIKJ-UHFFFAOYSA-N -1 3 358.402 0.541 10 0 FCAEHM CCc1cc(=O)[n-]c(CNC2(CC(=O)OC)CCS(=O)(=O)CC2)n1 ZINC000439261832 248116431 /nfs/dbraw/zinc/11/64/31/248116431.db2.gz VDUNBRMRIIGTOG-UHFFFAOYSA-N -1 3 357.432 0.345 10 0 FCAEHM Cc1cc(C)n(CC(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)n1 ZINC000441420312 248252519 /nfs/dbraw/zinc/25/25/19/248252519.db2.gz ZKINWHXZQZSEMG-UHFFFAOYSA-N -1 3 372.397 0.873 10 0 FCAEHM COCCNC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)[C@H]1CCO[C@H]1C ZINC000442755097 248295356 /nfs/dbraw/zinc/29/53/56/248295356.db2.gz BTSWUZANLZGNBU-BPUTZDHNSA-N -1 3 370.471 0.457 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]C[C@@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000443248178 248316004 /nfs/dbraw/zinc/31/60/04/248316004.db2.gz VCONSUQBBCYYIF-KRWDZBQOSA-N -1 3 364.471 0.818 10 0 FCAEHM O=C(CN1CCS(=O)(=O)CC1)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000443561750 248331674 /nfs/dbraw/zinc/33/16/74/248331674.db2.gz TYFSXQLROKRSIK-UHFFFAOYSA-N -1 3 368.333 0.960 10 0 FCAEHM C[C@H](O)CN(C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F)[C@@H](C)CO ZINC000443789256 248339561 /nfs/dbraw/zinc/33/95/61/248339561.db2.gz LIXRMEOXLQZQOA-SRVKXCTJSA-N -1 3 362.423 0.083 10 0 FCAEHM COCCN1CC[C@@H]([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)C1 ZINC000444171207 248349317 /nfs/dbraw/zinc/34/93/17/248349317.db2.gz WHWQRZUSDNAGHE-GFCCVEGCSA-N -1 3 362.473 0.089 10 0 FCAEHM CN1C[C@H](NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)C(=O)N1 ZINC000444356049 248355776 /nfs/dbraw/zinc/35/57/76/248355776.db2.gz IRCQZYPOVSDMIK-NSHDSACASA-N -1 3 365.187 0.366 10 0 FCAEHM Cc1ccc(CNC(=O)CN2CC(=O)[N-]C2=O)c(OC[C@H]2CCOC2)c1 ZINC000446348267 248387160 /nfs/dbraw/zinc/38/71/60/248387160.db2.gz JLOHMDZHEDPINU-ZDUSSCGKSA-N -1 3 361.398 0.578 10 0 FCAEHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1C[C@H](O)[C@@H](CO)C1 ZINC000458046009 249628456 /nfs/dbraw/zinc/62/84/56/249628456.db2.gz WGKMTSBSRLZRDQ-OQPBUACISA-N -1 3 367.199 0.716 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@@H](CO)c1ccc(Br)cc1 ZINC000271311255 211377089 /nfs/dbraw/zinc/37/70/89/211377089.db2.gz MNAHZCZQCKOTQE-JTQLQIEISA-N -1 3 356.176 0.151 10 0 FCAEHM COc1ccc(F)cc1CN1CCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)CC1 ZINC000271399309 211394986 /nfs/dbraw/zinc/39/49/86/211394986.db2.gz UMWMEQYJCLULRA-ZDUSSCGKSA-N -1 3 364.377 0.077 10 0 FCAEHM CCOC(=O)CN(Cc1ccc(F)cc1)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000271380332 211391756 /nfs/dbraw/zinc/39/17/56/211391756.db2.gz QWPKNMFPCGCQJV-LBPRGKRZSA-N -1 3 351.334 0.316 10 0 FCAEHM COc1nnc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)[n-]1 ZINC000271362298 211389919 /nfs/dbraw/zinc/38/99/19/211389919.db2.gz NMSNQPBFAKQHPO-GFCCVEGCSA-N -1 3 365.415 0.995 10 0 FCAEHM COc1nc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)n[n-]1 ZINC000271362298 211389923 /nfs/dbraw/zinc/38/99/23/211389923.db2.gz NMSNQPBFAKQHPO-GFCCVEGCSA-N -1 3 365.415 0.995 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)n1 ZINC000271362298 211389927 /nfs/dbraw/zinc/38/99/27/211389927.db2.gz NMSNQPBFAKQHPO-GFCCVEGCSA-N -1 3 365.415 0.995 10 0 FCAEHM CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H](C)C(N)=O)s1 ZINC000271241319 211361373 /nfs/dbraw/zinc/36/13/73/211361373.db2.gz YUPUUFYTLFOXPE-SNVBAGLBSA-N -1 3 361.489 0.605 10 0 FCAEHM CCS(=O)(=O)c1cccc(C(=O)Nc2nnc(SCCO)[n-]2)c1 ZINC000270846345 211282447 /nfs/dbraw/zinc/28/24/47/211282447.db2.gz IXOWWBDWOVRVHI-UHFFFAOYSA-N -1 3 356.429 0.935 10 0 FCAEHM CCS(=O)(=O)c1cccc(C(=O)Nc2nc(SCCO)n[n-]2)c1 ZINC000270846345 211282449 /nfs/dbraw/zinc/28/24/49/211282449.db2.gz IXOWWBDWOVRVHI-UHFFFAOYSA-N -1 3 356.429 0.935 10 0 FCAEHM CCS(=O)(=O)c1cccc(C(=O)Nc2n[n-]c(SCCO)n2)c1 ZINC000270846345 211282451 /nfs/dbraw/zinc/28/24/51/211282451.db2.gz IXOWWBDWOVRVHI-UHFFFAOYSA-N -1 3 356.429 0.935 10 0 FCAEHM CN(C[C@H]1CCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)C1)C(=O)OC(C)(C)C ZINC000270751621 211261088 /nfs/dbraw/zinc/26/10/88/211261088.db2.gz JZOQVIUVTJSAGY-MNOVXSKESA-N -1 3 354.407 0.300 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NC1(c2ccc(F)cc2F)CCOCC1 ZINC000270607970 211233661 /nfs/dbraw/zinc/23/36/61/211233661.db2.gz ZWDOZEJHFRDHTJ-UHFFFAOYSA-N -1 3 353.325 0.639 10 0 FCAEHM C[C@@H]1CN(c2ccc(NC(=O)C[C@@H]3NC(=O)[N-]C3=O)cc2F)C[C@H](C)O1 ZINC000270600151 211232425 /nfs/dbraw/zinc/23/24/25/211232425.db2.gz OCVGEFKKJCYTPT-CWSCBRNRSA-N -1 3 364.377 0.976 10 0 FCAEHM CC[C@@H]([N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)C(=O)OC ZINC000270464722 211204985 /nfs/dbraw/zinc/20/49/85/211204985.db2.gz FADWEWDEXIZDSY-SNVBAGLBSA-N -1 3 353.393 0.459 10 0 FCAEHM COC(=O)Cc1n[n-]c(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)n1 ZINC000469899243 250011723 /nfs/dbraw/zinc/01/17/23/250011723.db2.gz RLPFTJNHXHHKBD-YGRLFVJLSA-N -1 3 358.358 0.073 10 0 FCAEHM COC(=O)Cc1nnc(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)[n-]1 ZINC000469899243 250011725 /nfs/dbraw/zinc/01/17/25/250011725.db2.gz RLPFTJNHXHHKBD-YGRLFVJLSA-N -1 3 358.358 0.073 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)n[n-]1 ZINC000469899243 250011728 /nfs/dbraw/zinc/01/17/28/250011728.db2.gz RLPFTJNHXHHKBD-YGRLFVJLSA-N -1 3 358.358 0.073 10 0 FCAEHM COC(=O)CNC(=O)Cc1ccc(NC(=O)NCc2ncccc2[O-])cc1 ZINC000471211961 250093986 /nfs/dbraw/zinc/09/39/86/250093986.db2.gz IYTBVBZQFFHYLI-UHFFFAOYSA-N -1 3 372.381 0.941 10 0 FCAEHM Cn1cc(C(N)=O)cc1C(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000471906369 250122894 /nfs/dbraw/zinc/12/28/94/250122894.db2.gz PVXPSBIQLDHFHU-UHFFFAOYSA-N -1 3 356.382 0.428 10 0 FCAEHM O=C(CNC(=O)c1cccc([O-])c1)N1CCCC[C@@H]1CN1CCOCC1 ZINC000471389707 250100017 /nfs/dbraw/zinc/10/00/17/250100017.db2.gz CGBDAYYEJHMZIL-MRXNPFEDSA-N -1 3 361.442 0.835 10 0 FCAEHM CN1CN(C(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)CC1=O ZINC000472480634 250152450 /nfs/dbraw/zinc/15/24/50/250152450.db2.gz ZYFDSCCCTKBFNX-UHFFFAOYSA-N -1 3 365.333 0.949 10 0 FCAEHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000472984938 250191410 /nfs/dbraw/zinc/19/14/10/250191410.db2.gz DMZKZUQTSRGGCD-CQSZACIVSA-N -1 3 366.381 0.868 10 0 FCAEHM CCNC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2cccc(F)c2C(=O)OC)C1 ZINC000269858737 211101244 /nfs/dbraw/zinc/10/12/44/211101244.db2.gz RVBJZGSYWYYCPS-SNVBAGLBSA-N -1 3 373.406 0.694 10 0 FCAEHM Cc1ccc(NC(=O)C(=O)NCc2ncccc2[O-])cc1S(C)(=O)=O ZINC000473060474 250197789 /nfs/dbraw/zinc/19/77/89/250197789.db2.gz XGZAYCYYNVZWKZ-UHFFFAOYSA-N -1 3 363.395 0.754 10 0 FCAEHM CC(=O)NCC(=O)N1CCc2cc(C(=O)NCc3ncccc3[O-])ccc21 ZINC000473630262 250242877 /nfs/dbraw/zinc/24/28/77/250242877.db2.gz RGBAXXTYCFJVCY-UHFFFAOYSA-N -1 3 368.393 0.742 10 0 FCAEHM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-][C@H](C)[C@H](C)CO)c1 ZINC000269775946 211074626 /nfs/dbraw/zinc/07/46/26/211074626.db2.gz NVCWGAOGWWALJV-NXEZZACHSA-N -1 3 359.400 0.555 10 0 FCAEHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]C(C)(C)[C@H](O)C(=O)OC ZINC000480879477 250290769 /nfs/dbraw/zinc/29/07/69/250290769.db2.gz ONXGNFOHSCIYJD-LLVKDONJSA-N -1 3 363.388 0.219 10 0 FCAEHM CNC(=O)Cn1cc(NC(=O)NCCCNC(=O)c2cccc([O-])c2)cn1 ZINC000481096065 250312701 /nfs/dbraw/zinc/31/27/01/250312701.db2.gz ZNETYUXQAFVGGQ-UHFFFAOYSA-N -1 3 374.401 0.276 10 0 FCAEHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]CC[C@@H](C)[S@@](C)=O)s1 ZINC000481075295 250313330 /nfs/dbraw/zinc/31/33/30/250313330.db2.gz FZGZJHYHIATFFT-IJSAXESFSA-N -1 3 369.486 0.979 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](CO)C1CCOCC1 ZINC000481586148 250344025 /nfs/dbraw/zinc/34/40/25/250344025.db2.gz XGCQBYMPSKIAOA-LBPRGKRZSA-N -1 3 363.457 0.156 10 0 FCAEHM C[C@@H](CN1CCN(C)CC1)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000106921886 208236242 /nfs/dbraw/zinc/23/62/42/208236242.db2.gz BDKBOLLJXMYXOT-DOTOQJQBSA-N -1 3 374.485 0.749 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000111634231 208283049 /nfs/dbraw/zinc/28/30/49/208283049.db2.gz XLVIHWOXWXWSQA-LLVKDONJSA-N -1 3 366.368 0.597 10 0 FCAEHM Cc1c([O-])ccc2c(CN3CC[C@@H](NS(C)(=O)=O)C3)cc(=O)oc12 ZINC000116891833 208335980 /nfs/dbraw/zinc/33/59/80/208335980.db2.gz ZOFUYPHQLRCEGL-GFCCVEGCSA-N -1 3 352.412 0.931 10 0 FCAEHM COc1cccc(-c2noc([C@@H](C)NC(=O)CN3CC(=O)[N-]C3=O)n2)c1 ZINC000266419244 210336355 /nfs/dbraw/zinc/33/63/55/210336355.db2.gz PLVFMMYXENOUON-SECBINFHSA-N -1 3 359.342 0.474 10 0 FCAEHM CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000409795283 533403653 /nfs/dbraw/zinc/40/36/53/533403653.db2.gz HWAYTHPMVPETGH-ZANVPECISA-N -1 3 368.427 0.961 10 0 FCAEHM CS(=O)(=O)NC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000409788461 533407309 /nfs/dbraw/zinc/40/73/09/533407309.db2.gz DQBUOANWDVKVOD-RNCFNFMXSA-N -1 3 368.427 0.961 10 0 FCAEHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCO[C@@H]([C@@H](C)O)C1 ZINC000411951418 533678966 /nfs/dbraw/zinc/67/89/66/533678966.db2.gz OWSPYMUOSVEVML-NXEZZACHSA-N -1 3 356.400 0.390 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000409786194 230044796 /nfs/dbraw/zinc/04/47/96/230044796.db2.gz AGAFSZGTHHKJSO-MNOVXSKESA-N -1 3 351.450 0.288 10 0 FCAEHM CN1CCN(CC[N-]S(=O)(=O)c2cccnc2C(F)(F)F)CC1 ZINC000287418309 488867682 /nfs/dbraw/zinc/86/76/82/488867682.db2.gz PHVQLSBRMAJCRH-UHFFFAOYSA-N -1 3 352.382 0.626 10 0 FCAEHM O=C1[N-]C(=O)[C@@]2(CCCN(S(=O)(=O)c3ccc(C(F)F)cc3)C2)N1 ZINC000287451886 488870645 /nfs/dbraw/zinc/87/06/45/488870645.db2.gz RCJFVFPMDJKGAJ-AWEZNQCLSA-N -1 3 359.354 0.987 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]Cc2ncccc2S(C)(=O)=O)nc1Cl ZINC000278377884 488871634 /nfs/dbraw/zinc/87/16/34/488871634.db2.gz LELVNRUHDYDJQX-UHFFFAOYSA-N -1 3 364.836 0.351 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-]CC(=O)Nc2ccn(C)n2)CCCCC1 ZINC000489837682 484239972 /nfs/dbraw/zinc/23/99/72/484239972.db2.gz TZIQPJCXNCADOF-UHFFFAOYSA-N -1 3 372.447 0.402 10 0 FCAEHM COC(=O)c1cnc(SCC(=O)NC[C@H]2CN(CC(C)C)CCO2)[n-]1 ZINC000278555309 488881414 /nfs/dbraw/zinc/88/14/14/488881414.db2.gz BWODDPRSZWSONY-LBPRGKRZSA-N -1 3 370.475 0.761 10 0 FCAEHM COC(=O)c1c[n-]c(SCC(=O)NC[C@H]2CN(CC(C)C)CCO2)n1 ZINC000278555309 488881416 /nfs/dbraw/zinc/88/14/16/488881416.db2.gz BWODDPRSZWSONY-LBPRGKRZSA-N -1 3 370.475 0.761 10 0 FCAEHM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-][C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000278625100 488885757 /nfs/dbraw/zinc/88/57/57/488885757.db2.gz GGRBYBVLNNLABR-RISCZKNCSA-N -1 3 371.434 0.323 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@]2(O)CCO[C@H]2C)c(Cl)c1 ZINC000278625318 488885849 /nfs/dbraw/zinc/88/58/49/488885849.db2.gz DSHTZURQXVZUPC-LKFCYVNXSA-N -1 3 363.819 0.945 10 0 FCAEHM COCc1cccc(S(=O)(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000278764109 488894358 /nfs/dbraw/zinc/89/43/58/488894358.db2.gz OICLEFUIHASZMD-HNNXBMFYSA-N -1 3 353.400 0.196 10 0 FCAEHM CCC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H]1C[C@]1(C)NC(=O)[N-]C1=O ZINC000287692724 488895314 /nfs/dbraw/zinc/89/53/14/488895314.db2.gz CYHLUESPTDYROG-UVWXRNBGSA-N -1 3 368.459 0.277 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]CCc2ccc(S(N)(=O)=O)cc2)c1 ZINC000320723573 488900513 /nfs/dbraw/zinc/90/05/13/488900513.db2.gz CZHGCVQYOGNWKT-UHFFFAOYSA-N -1 3 358.445 0.071 10 0 FCAEHM CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)C[C@@H]2NC(=O)[N-]C2=O)CC1 ZINC000364008345 488911825 /nfs/dbraw/zinc/91/18/25/488911825.db2.gz IEQAUTWJIGVWQX-QWRGUYRKSA-N -1 3 354.407 0.490 10 0 FCAEHM Cc1nn(C)c(C)c1[C@H]1[C@H](CN=c2ncnc3[nH][n-]cc2-3)CC(=O)N1C ZINC000328614701 488923709 /nfs/dbraw/zinc/92/37/09/488923709.db2.gz WQVHKQMJVYZOGD-XHDPSFHLSA-N -1 3 354.418 0.708 10 0 FCAEHM O=C(CN1CCC[C@@]2(C1)NC(=O)[N-]C2=O)Nc1ccc(N2CCCC2)cc1 ZINC000279135579 488919206 /nfs/dbraw/zinc/91/92/06/488919206.db2.gz WUBUZHZPZREPCO-IBGZPJMESA-N -1 3 371.441 0.899 10 0 FCAEHM COCc1cccc(CNC(=O)CN2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000279141229 488920151 /nfs/dbraw/zinc/92/01/51/488920151.db2.gz XLEJGRPHORCBDA-GOSISDBHSA-N -1 3 360.414 0.123 10 0 FCAEHM CN(C)S(=O)(=O)c1cccc(CN2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000279155702 488920820 /nfs/dbraw/zinc/92/08/20/488920820.db2.gz ZFSXDSFEMCLSQQ-INIZCTEOSA-N -1 3 366.443 0.111 10 0 FCAEHM COC(=O)c1ccc(C)c(NC(=O)CN2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000279159054 488921182 /nfs/dbraw/zinc/92/11/82/488921182.db2.gz ZOJPNATUOVDTNJ-SFHVURJKSA-N -1 3 374.397 0.394 10 0 FCAEHM CCn1c2ccccc2n(CC(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1=O ZINC000364181407 488931489 /nfs/dbraw/zinc/93/14/89/488931489.db2.gz QAVGOFPMNQIMHK-SFHVURJKSA-N -1 3 371.397 0.024 10 0 FCAEHM O=C(c1ccc([O-])cc1)N1CCN(S(=O)(=O)NC2CCCC2)CC1 ZINC000279323040 488932309 /nfs/dbraw/zinc/93/23/09/488932309.db2.gz SMYRSRDPYYZNEZ-UHFFFAOYSA-N -1 3 353.444 0.927 10 0 FCAEHM CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279343792 488934089 /nfs/dbraw/zinc/93/40/89/488934089.db2.gz BYFNEOCYJPZKEZ-HWPZZCPQSA-N -1 3 368.459 0.135 10 0 FCAEHM O=C([C@H]1CCN(c2ccc(F)cc2)C1=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279481644 488945790 /nfs/dbraw/zinc/94/57/90/488945790.db2.gz MQBLPBGRLSCLRV-FZKQIMNGSA-N -1 3 374.372 0.379 10 0 FCAEHM O=C([C@@H]1CCN(c2ccc(F)cc2)C1=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279481646 488945818 /nfs/dbraw/zinc/94/58/18/488945818.db2.gz MQBLPBGRLSCLRV-SCLBCKFNSA-N -1 3 374.372 0.379 10 0 FCAEHM O=C(c1cccnc1OCC(F)(F)F)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279571212 488953022 /nfs/dbraw/zinc/95/30/22/488953022.db2.gz SUUYNFVUMNIMKH-CQSZACIVSA-N -1 3 372.303 0.837 10 0 FCAEHM COc1ccsc1S(=O)(=O)[N-][C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC000328946002 488954131 /nfs/dbraw/zinc/95/41/31/488954131.db2.gz JVPMWQIECYYADB-NOZJJQNGSA-N -1 3 370.456 0.741 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1C[C@@H](O)C2(CC2)C1 ZINC000364445796 488960861 /nfs/dbraw/zinc/96/08/61/488960861.db2.gz BTKWMALUTXLNDB-MRVPVSSYSA-N -1 3 350.849 0.663 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCCn1cccn1 ZINC000030168405 487740392 /nfs/dbraw/zinc/74/03/92/487740392.db2.gz POPAYMHUWLYILQ-LBPRGKRZSA-N -1 3 354.407 0.896 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000044544080 487915939 /nfs/dbraw/zinc/91/59/39/487915939.db2.gz WTKYBGFROMZNLZ-HNNXBMFYSA-N -1 3 370.409 0.668 10 0 FCAEHM COc1cc([C@@H](C)NC(=O)C[C@@H]2NC(=O)[N-]C2=O)cc(OC)c1OC ZINC000046924152 488000346 /nfs/dbraw/zinc/00/03/46/488000346.db2.gz QKQXCHLNTSSCMH-SCZZXKLOSA-N -1 3 351.359 0.488 10 0 FCAEHM Cn1nccc1CNC(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000047475234 488031322 /nfs/dbraw/zinc/03/13/22/488031322.db2.gz ZAVNNMXQABHHLN-UHFFFAOYSA-N -1 3 358.370 0.683 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CCN1C(=O)CSC1=O ZINC000053668492 488207403 /nfs/dbraw/zinc/20/74/03/488207403.db2.gz YCMWREFJEUFNQR-UHFFFAOYSA-N -1 3 352.825 0.356 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-]CC(=O)N2CCCc3ccccc32)C[C@@H](C)O1 ZINC000057101404 488266405 /nfs/dbraw/zinc/26/64/05/488266405.db2.gz QFGLZVKNZXZCEP-ZIAGYGMSSA-N -1 3 367.471 0.909 10 0 FCAEHM CN(CC(=O)NC(C)(C)C)C(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000061058578 488293878 /nfs/dbraw/zinc/29/38/78/488293878.db2.gz FEXSXTDJJAKUTE-UHFFFAOYSA-N -1 3 361.489 0.790 10 0 FCAEHM Cc1occc1C(=O)NC1CCN(C(=O)CC[C@H]2NC(=O)[N-]C2=O)CC1 ZINC000066734491 488336186 /nfs/dbraw/zinc/33/61/86/488336186.db2.gz NWDAPGDLUYTJHV-CYBMUJFWSA-N -1 3 362.386 0.297 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000067812371 488356138 /nfs/dbraw/zinc/35/61/38/488356138.db2.gz OARUQRYPZCTOOX-ZYHUDNBSSA-N -1 3 364.199 0.971 10 0 FCAEHM COCCN1CCC[C@@H]1CNC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000069527135 488373074 /nfs/dbraw/zinc/37/30/74/488373074.db2.gz SLYAFPQGWWDRRP-CYBMUJFWSA-N -1 3 368.503 0.960 10 0 FCAEHM CCNC(=O)N1CC[C@H](NC(=O)c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)C1 ZINC000268464373 488421200 /nfs/dbraw/zinc/42/12/00/488421200.db2.gz LJRNFKQJGSWFSW-UGSOOPFHSA-N -1 3 373.413 0.275 10 0 FCAEHM CCNC(=O)N1CC[C@@H](NC(=O)c2cc(S(=O)(=O)[N-]C)oc2C)C1 ZINC000268509585 488425965 /nfs/dbraw/zinc/42/59/65/488425965.db2.gz XGENPSKTZPDJLV-SNVBAGLBSA-N -1 3 358.420 0.030 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]CC(=O)N(C)CCc2ccccn2)c1 ZINC000080738274 488436829 /nfs/dbraw/zinc/43/68/29/488436829.db2.gz ADOOPQQKPRYLKW-UHFFFAOYSA-N -1 3 351.432 0.277 10 0 FCAEHM C[C@@H]1C[C@H]1N1C[C@H](NC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)CC1=O ZINC000081372243 488441345 /nfs/dbraw/zinc/44/13/45/488441345.db2.gz TZQAWCFOCPYLBE-LALPHHSUSA-N -1 3 370.409 0.618 10 0 FCAEHM C[C@H]1CCN(C(=O)CC[N-]S(=O)(=O)c2ccc(F)c(F)c2)C[C@H]1O ZINC000089406339 488457185 /nfs/dbraw/zinc/45/71/85/488457185.db2.gz KALOBMMZTXOKDI-IINYFYTJSA-N -1 3 362.398 0.863 10 0 FCAEHM O=C1[N-]C(=O)[C@@]2(CCN(S(=O)(=O)c3ccccc3Br)C2)N1 ZINC000096767800 488491633 /nfs/dbraw/zinc/49/16/33/488491633.db2.gz BZAGDULAZSPBEN-LBPRGKRZSA-N -1 3 374.216 0.422 10 0 FCAEHM O=C1[N-]C(=O)[C@@]2(CCCN([C@H]3CCCN(c4cccc(F)c4)C3=O)C2)N1 ZINC000248689900 488500966 /nfs/dbraw/zinc/50/09/66/488500966.db2.gz XSDOPMBERIPAAO-KSSFIOAISA-N -1 3 360.389 0.995 10 0 FCAEHM CCc1nc2n(n1)C[C@@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)CC2 ZINC000114864315 488542162 /nfs/dbraw/zinc/54/21/62/488542162.db2.gz MYMJJEGLDNFRFT-JTQLQIEISA-N -1 3 369.472 0.312 10 0 FCAEHM C[C@@H](C[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)Cn1cccn1 ZINC000119471592 488557068 /nfs/dbraw/zinc/55/70/68/488557068.db2.gz DFTIFTTWEBNZFU-LBPRGKRZSA-N -1 3 357.457 0.901 10 0 FCAEHM CCOCCOC1CN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000272271533 488570057 /nfs/dbraw/zinc/57/00/57/488570057.db2.gz RVRUNBIPWSUZDN-LBPRGKRZSA-N -1 3 374.434 0.756 10 0 FCAEHM CC[C@H](C)C[C@@H]([N-]S(=O)(=O)C[C@H]1CCCS(=O)(=O)C1)C(=O)OC ZINC000569966343 491207026 /nfs/dbraw/zinc/20/70/26/491207026.db2.gz TVPGLFODHLFLMI-RWMBFGLXSA-N -1 3 369.505 0.708 10 0 FCAEHM COc1nnc(NC(=O)CN2C(=O)c3ccccc3N3C(=O)CC[C@@]32C)[n-]1 ZINC000272535540 488587098 /nfs/dbraw/zinc/58/70/98/488587098.db2.gz RHCLAUFPPPZCPL-QGZVFWFLSA-N -1 3 370.369 0.751 10 0 FCAEHM COc1nc(NC(=O)CN2C(=O)c3ccccc3N3C(=O)CC[C@@]32C)n[n-]1 ZINC000272535540 488587099 /nfs/dbraw/zinc/58/70/99/488587099.db2.gz RHCLAUFPPPZCPL-QGZVFWFLSA-N -1 3 370.369 0.751 10 0 FCAEHM COc1n[n-]c(NC(=O)CN2C(=O)c3ccccc3N3C(=O)CC[C@@]32C)n1 ZINC000272535540 488587100 /nfs/dbraw/zinc/58/71/00/488587100.db2.gz RHCLAUFPPPZCPL-QGZVFWFLSA-N -1 3 370.369 0.751 10 0 FCAEHM Cc1ccc(N2CC[C@H](N3CCO[C@H](CN(C)CC(=O)[O-])C3)C2=O)cc1 ZINC000262873307 488597361 /nfs/dbraw/zinc/59/73/61/488597361.db2.gz MOMJNEPGSHZPJQ-SJORKVTESA-N -1 3 361.442 0.818 10 0 FCAEHM CC[C@@H](C)[C@@H](NC(=O)c1cccc([O-])c1)C(=O)NCCN1CCOCC1 ZINC000272724111 488600578 /nfs/dbraw/zinc/60/05/78/488600578.db2.gz ICDZOJIIWGMRPZ-RHSMWYFYSA-N -1 3 363.458 0.985 10 0 FCAEHM C[C@@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])N1CCN(C)CC1 ZINC000129658462 488632831 /nfs/dbraw/zinc/63/28/31/488632831.db2.gz BSICEFFFVUPPIC-DOTOQJQBSA-N -1 3 374.485 0.749 10 0 FCAEHM COC(=O)[C@H]1CCCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000263998732 488642267 /nfs/dbraw/zinc/64/22/67/488642267.db2.gz GENMAZCGPGVBKZ-RYUDHWBXSA-N -1 3 372.418 0.904 10 0 FCAEHM CCCN(CC(=O)OC)C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000264039121 488644311 /nfs/dbraw/zinc/64/43/11/488644311.db2.gz PMDPMDBLXATPCR-NSHDSACASA-N -1 3 360.407 0.904 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]c1cccc(N2C(=O)CNC2=O)c1)C1CC1 ZINC000563114976 491216886 /nfs/dbraw/zinc/21/68/86/491216886.db2.gz SHJZECWDMJXYFL-CYBMUJFWSA-N -1 3 353.400 0.910 10 0 FCAEHM COc1ccccc1CN(C[C@H]1CCCO1)C(=O)CN1CC(=O)[N-]C1=O ZINC000264605027 488689801 /nfs/dbraw/zinc/68/98/01/488689801.db2.gz FYAZDSZAAVPSSA-CQSZACIVSA-N -1 3 361.398 0.755 10 0 FCAEHM O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)[N-]C1=NCCS1 ZINC000144633971 488692331 /nfs/dbraw/zinc/69/23/31/488692331.db2.gz SHHBDHSSNQLSDJ-CQSZACIVSA-N -1 3 358.423 0.681 10 0 FCAEHM C[C@@H]1CCCN(Cc2csc(NC(=O)CN3CC(=O)[N-]C3=O)n2)C1 ZINC000264678375 488697064 /nfs/dbraw/zinc/69/70/64/488697064.db2.gz KNIHUHJUINFCCN-SNVBAGLBSA-N -1 3 351.432 0.865 10 0 FCAEHM COc1ccccc1[C@H](CNC(=O)CN1CC(=O)[N-]C1=O)N1CCCCC1 ZINC000264681006 488697472 /nfs/dbraw/zinc/69/74/72/488697472.db2.gz KUOWNAJEPPJNPR-HNNXBMFYSA-N -1 3 374.441 0.890 10 0 FCAEHM Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)CN3CC(=O)[N-]C3=O)C2)nc1 ZINC000264736033 488704739 /nfs/dbraw/zinc/70/47/39/488704739.db2.gz QSHPOWXMBOHUSN-GFCCVEGCSA-N -1 3 359.386 0.119 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000264757905 488707790 /nfs/dbraw/zinc/70/77/90/488707790.db2.gz TZPMTEWQTAUPQT-LBPRGKRZSA-N -1 3 360.418 0.262 10 0 FCAEHM CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1cccc([O-])c1 ZINC000274457629 488710024 /nfs/dbraw/zinc/71/00/24/488710024.db2.gz JNCKNUHPJMLYNS-KRWDZBQOSA-N -1 3 369.421 0.938 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000264808248 488714509 /nfs/dbraw/zinc/71/45/09/488714509.db2.gz ZSMXNVILTBEHPV-UHFFFAOYSA-N -1 3 364.833 0.972 10 0 FCAEHM C[C@@H]1CN(Cc2csc(NC(=O)CN3CC(=O)[N-]C3=O)n2)C[C@@H](C)O1 ZINC000264810295 488714887 /nfs/dbraw/zinc/71/48/87/488714887.db2.gz ZVOVEOOVMUBZIU-NXEZZACHSA-N -1 3 367.431 0.243 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)N1CCO[C@@]2(CCOC2)C1 ZINC000274554492 488719429 /nfs/dbraw/zinc/71/94/29/488719429.db2.gz NLGSRPXKKVDUCF-IBGZPJMESA-N -1 3 371.393 0.688 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCC[C@@H](CC(N)=O)C1 ZINC000266900324 488741633 /nfs/dbraw/zinc/74/16/33/488741633.db2.gz HYHNVHLJFQKWTP-RYUDHWBXSA-N -1 3 371.434 0.607 10 0 FCAEHM [NH3+]CCCC[C@H]([N-]S(=O)(=O)c1ccc(Br)cn1)C(=O)[O-] ZINC000274953723 488747557 /nfs/dbraw/zinc/74/75/57/488747557.db2.gz ASJYBBQYYVMTLE-VIFPVBQESA-N -1 3 366.237 0.705 10 0 FCAEHM O=C(N[C@H]1CCCN(c2ccccc2F)C1)C1CC2(C1)NC(=O)[N-]C2=O ZINC000154948906 488749385 /nfs/dbraw/zinc/74/93/85/488749385.db2.gz AVPLZZBPCJTNQB-LASWEOPPSA-N -1 3 360.389 0.899 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2Cn2ccnc2C)co1 ZINC000155148770 488751540 /nfs/dbraw/zinc/75/15/40/488751540.db2.gz FQVOECIIYRPSIQ-CYBMUJFWSA-N -1 3 352.416 0.997 10 0 FCAEHM C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000275010083 488753147 /nfs/dbraw/zinc/75/31/47/488753147.db2.gz XYQNRPYYZHDELT-WFASDCNBSA-N -1 3 354.428 0.657 10 0 FCAEHM C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cn(C)c(=O)[n-]c1=O ZINC000275116668 488763246 /nfs/dbraw/zinc/76/32/46/488763246.db2.gz OJHHLNUFLNMBJJ-CMPLNLGQSA-N -1 3 366.418 0.861 10 0 FCAEHM C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000275153931 488766663 /nfs/dbraw/zinc/76/66/63/488766663.db2.gz UEBVPHXIIFLDAB-VWYCJHECSA-N -1 3 354.407 0.346 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)NCCC3=CCCC3)cnc21 ZINC000159082751 488782728 /nfs/dbraw/zinc/78/27/28/488782728.db2.gz XSUAKELACXTYBG-UHFFFAOYSA-N -1 3 350.400 0.401 10 0 FCAEHM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-][C@@H](C)[C@@H](C)OC)c1 ZINC000276159798 488782936 /nfs/dbraw/zinc/78/29/36/488782936.db2.gz RHHYSAQHKOCRLR-VHSXEESVSA-N -1 3 359.400 0.962 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2nc([C@H](C)OC)no2)c(C)o1 ZINC000267574013 488799467 /nfs/dbraw/zinc/79/94/67/488799467.db2.gz JVJRGMCMRHIEOR-VIFPVBQESA-N -1 3 372.403 0.859 10 0 FCAEHM C[C@@H]1C[C@H](N(C)S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCN1C ZINC000267593705 488801746 /nfs/dbraw/zinc/80/17/46/488801746.db2.gz BGWBTHUDBHZBTE-NXEZZACHSA-N -1 3 367.431 0.539 10 0 FCAEHM CCOC(=O)[C@@H](C)CNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000267680362 488811721 /nfs/dbraw/zinc/81/17/21/488811721.db2.gz BVMSUUSDLQOKOS-QWRGUYRKSA-N -1 3 360.407 0.808 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@H]1CCCn2ncnc21 ZINC000176134918 488857497 /nfs/dbraw/zinc/85/74/97/488857497.db2.gz KZCOLMGVCPHROC-ZJUUUORDSA-N -1 3 355.445 0.658 10 0 FCAEHM O=C(NC1CC1)c1nn[n-]c1NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000563170907 491225170 /nfs/dbraw/zinc/22/51/70/491225170.db2.gz CDZDLWBLAMOZLZ-SNVBAGLBSA-N -1 3 354.370 0.689 10 0 FCAEHM O=C(NC1CC1)c1[n-]nnc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000563170907 491225171 /nfs/dbraw/zinc/22/51/71/491225171.db2.gz CDZDLWBLAMOZLZ-SNVBAGLBSA-N -1 3 354.370 0.689 10 0 FCAEHM O=C(NC1CC1)c1n[n-]nc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000563170907 491225172 /nfs/dbraw/zinc/22/51/72/491225172.db2.gz CDZDLWBLAMOZLZ-SNVBAGLBSA-N -1 3 354.370 0.689 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC(F)(F)C[C@H]1CO ZINC000364604752 488977209 /nfs/dbraw/zinc/97/72/09/488977209.db2.gz VKDDFQHJEOHTJV-IUCAKERBSA-N -1 3 354.400 0.643 10 0 FCAEHM C[C@]1(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)CCN(C(=O)OCc2ccccc2)C1 ZINC000280008577 488980036 /nfs/dbraw/zinc/98/00/36/488980036.db2.gz LSJNOPGKDGGBBC-UGSOOPFHSA-N -1 3 374.397 0.502 10 0 FCAEHM CNC(=O)c1cc(S(=O)(=O)[N-]CC(F)(F)Br)cn1C ZINC000288494480 488986439 /nfs/dbraw/zinc/98/64/39/488986439.db2.gz DFOORUMQFVVCNY-UHFFFAOYSA-N -1 3 360.180 0.651 10 0 FCAEHM O=C([C@H]1COCCN1CC1CCC1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000329266340 488987753 /nfs/dbraw/zinc/98/77/53/488987753.db2.gz CSJLJNKMXDSNSP-CXAGYDPISA-N -1 3 350.419 0.733 10 0 FCAEHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](O)Cc2ccccc2)cn1 ZINC000280160587 488987961 /nfs/dbraw/zinc/98/79/61/488987961.db2.gz BVRNEOCBLMOHKC-ZDUSSCGKSA-N -1 3 370.452 0.367 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC[C@@H](CO)[C@H]1CCOC1 ZINC000280478434 489011807 /nfs/dbraw/zinc/01/18/07/489011807.db2.gz NQCMBOISDVBZAO-AVGNSLFASA-N -1 3 374.434 0.254 10 0 FCAEHM Cc1ccc(CNC(=O)C[C@@H]2NC(=O)[N-]C2=O)c(-n2cc(Cl)cn2)n1 ZINC000364919665 489017998 /nfs/dbraw/zinc/01/79/98/489017998.db2.gz DNVRPRGXXKNZCR-NSHDSACASA-N -1 3 362.777 0.443 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-][C@H]2CS(=O)(=O)c3ccccc32)C[C@@H](C)O1 ZINC000329754830 489032918 /nfs/dbraw/zinc/03/29/18/489032918.db2.gz LBZIHHZNNJWBHO-WZRBSPASSA-N -1 3 360.457 0.459 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)nc1=N ZINC000554853356 491229184 /nfs/dbraw/zinc/22/91/84/491229184.db2.gz TURPOLVHYZNJMF-LBPRGKRZSA-N -1 3 369.385 0.007 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]CC(=O)NCC(F)F)c(Cl)c1 ZINC000280901322 489039805 /nfs/dbraw/zinc/03/98/05/489039805.db2.gz GWQABZINZWWJDE-UHFFFAOYSA-N -1 3 370.761 0.786 10 0 FCAEHM CN(C)C(=O)COc1ccccc1CN1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000365124330 489040880 /nfs/dbraw/zinc/04/08/80/489040880.db2.gz OFLVVIYUZLYVDY-GOSISDBHSA-N -1 3 360.414 0.328 10 0 FCAEHM COC(=O)c1ccc(NC(=O)CN2CCC(c3nc(=O)[n-][nH]3)CC2)cc1 ZINC000281054471 489049946 /nfs/dbraw/zinc/04/99/46/489049946.db2.gz REDJRBUIYHSJLY-UHFFFAOYSA-N -1 3 359.386 0.703 10 0 FCAEHM O=C(CN1CCC[C@H](c2nc(=O)[n-][nH]2)C1)NCCOc1cccc(F)c1 ZINC000289351425 489060383 /nfs/dbraw/zinc/06/03/83/489060383.db2.gz GFJCAHXFXHNRKX-LBPRGKRZSA-N -1 3 363.393 0.612 10 0 FCAEHM CC(=O)c1cccc(OC[C@H](O)CN2CCC(c3nc(=O)[n-][nH]3)CC2)c1 ZINC000289362366 489061927 /nfs/dbraw/zinc/06/19/27/489061927.db2.gz HMYUZIZEPYTYNA-OAHLLOKOSA-N -1 3 360.414 0.920 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)N1CCC12CCOCC2 ZINC000365476004 489079869 /nfs/dbraw/zinc/07/98/69/489079869.db2.gz XJXYLDZCTGBSOU-UHFFFAOYSA-N -1 3 359.473 0.991 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000365562041 489087599 /nfs/dbraw/zinc/08/75/99/489087599.db2.gz CCIAODZGUCNRKN-MRXNPFEDSA-N -1 3 369.418 0.233 10 0 FCAEHM C[C@]1(c2ccc(C(=O)NC[C@@H](CO)c3cccnc3)cc2)NC(=O)[N-]C1=O ZINC000570311656 491232491 /nfs/dbraw/zinc/23/24/91/491232491.db2.gz UKJMBWZJOWPCMC-IFXJQAMLSA-N -1 3 368.393 0.642 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]CC1(N2CCOCC2)CC1 ZINC000289802780 489094273 /nfs/dbraw/zinc/09/42/73/489094273.db2.gz JMADONPNWQHSNT-UHFFFAOYSA-N -1 3 372.443 0.826 10 0 FCAEHM CC(C)OCCS(=O)(=O)[N-]CC(=O)Nc1cccc(-c2nc[nH]n2)c1 ZINC000365812152 489116370 /nfs/dbraw/zinc/11/63/70/489116370.db2.gz LWDDWLXCRKWYQF-UHFFFAOYSA-N -1 3 367.431 0.755 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)nc1=N ZINC000563266937 491234307 /nfs/dbraw/zinc/23/43/07/491234307.db2.gz CCVBZDCRVSEFJA-YHAQOWFVSA-N -1 3 350.448 0.345 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCOC[C@]12CCOC2 ZINC000282050301 489128309 /nfs/dbraw/zinc/12/83/09/489128309.db2.gz CECOYSCCJKDYQC-BLLLJJGKSA-N -1 3 372.418 0.510 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)c2ccnc(NC(=O)C3CC3)c2)nc1=N ZINC000563270431 491234726 /nfs/dbraw/zinc/23/47/26/491234726.db2.gz WABYCCMRQJICMU-LBPRGKRZSA-N -1 3 355.402 0.948 10 0 FCAEHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000365985240 489132369 /nfs/dbraw/zinc/13/23/69/489132369.db2.gz LDFQNWALROAWMX-SSDOTTSWSA-N -1 3 351.313 0.757 10 0 FCAEHM COC(=O)[C@](C)(O)CN1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000330855217 489151004 /nfs/dbraw/zinc/15/10/04/489151004.db2.gz SHHZZCWDVSVHGW-CQSZACIVSA-N -1 3 362.473 0.415 10 0 FCAEHM C[C@@H]1CN(C(=O)Nc2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)CC(=O)N1C ZINC000282281263 489151251 /nfs/dbraw/zinc/15/12/51/489151251.db2.gz QRQJNVLSDKYVMY-MFKMUULPSA-N -1 3 359.386 0.132 10 0 FCAEHM C[C@H]1NC(=O)CC[C@@H]1NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000282307543 489152841 /nfs/dbraw/zinc/15/28/41/489152841.db2.gz ROADZQYDPQANGS-OCCSQVGLSA-N -1 3 360.414 0.527 10 0 FCAEHM O=C1[N-]C(=O)[C@]2(CCCN(S(=O)(=O)C3=Cc4ccccc4CC3)C2)N1 ZINC000366164510 489153640 /nfs/dbraw/zinc/15/36/40/489153640.db2.gz XLFVJABDNWBTKX-QGZVFWFLSA-N -1 3 361.423 0.978 10 0 FCAEHM CCNC(=O)N1CC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000366171551 489154969 /nfs/dbraw/zinc/15/49/69/489154969.db2.gz NFRPBFYVSVXUGB-HIFRSBDPSA-N -1 3 374.441 0.917 10 0 FCAEHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1CC(=O)N(C)[C@H](C)C1 ZINC000282332066 489155523 /nfs/dbraw/zinc/15/55/23/489155523.db2.gz KNKBDZZNLLPFAY-SECBINFHSA-N -1 3 353.400 0.552 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCC1([S@@](C)=O)CC1 ZINC000282348646 489156300 /nfs/dbraw/zinc/15/63/00/489156300.db2.gz XZBZGPAZJNIBJJ-MLMJSJRWSA-N -1 3 362.448 0.520 10 0 FCAEHM CCC1(CC)CN(C(=O)c2ccc(S(=O)(=O)[N-]C)nc2)CC[S@]1=O ZINC000331022666 489166243 /nfs/dbraw/zinc/16/62/43/489166243.db2.gz LKOLAQNVSNOSQJ-HSZRJFAPSA-N -1 3 373.500 0.753 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C[C@H](O)c1cnn(C)c1 ZINC000290833540 489168487 /nfs/dbraw/zinc/16/84/87/489168487.db2.gz UUHGTDHVJXKOMP-NSHDSACASA-N -1 3 357.388 0.428 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@H](C)CN1CCN(C)CC1 ZINC000290873521 489170493 /nfs/dbraw/zinc/17/04/93/489170493.db2.gz YFRZGDVYBSOWTK-LLVKDONJSA-N -1 3 373.475 0.597 10 0 FCAEHM COC(C)(C)CS(=O)(=O)[N-]c1cccc(S(=O)(=O)N(C)C)c1N ZINC000331235521 489188846 /nfs/dbraw/zinc/18/88/46/489188846.db2.gz LUEIDLYXNWIQKF-UHFFFAOYSA-N -1 3 365.477 0.686 10 0 FCAEHM O=S(=O)([N-][C@H]1CCCS(=O)(=O)C1)c1cnccc1C(F)(F)F ZINC000331281384 489193621 /nfs/dbraw/zinc/19/36/21/489193621.db2.gz QTOQNAPIJWWWBB-QMMMGPOBSA-N -1 3 358.363 0.956 10 0 FCAEHM Cc1sc(=O)n(CCC(=O)Nc2[n-]nnc2C(=O)NC2CC2)c1C ZINC000297721013 489229988 /nfs/dbraw/zinc/22/99/88/489229988.db2.gz LNNXSAANZRWOQP-UHFFFAOYSA-N -1 3 350.404 0.566 10 0 FCAEHM Cc1sc(=O)n(CCC(=O)Nc2nn[n-]c2C(=O)NC2CC2)c1C ZINC000297721013 489229991 /nfs/dbraw/zinc/22/99/91/489229991.db2.gz LNNXSAANZRWOQP-UHFFFAOYSA-N -1 3 350.404 0.566 10 0 FCAEHM Cc1sc(=O)n(CCC(=O)Nc2n[n-]nc2C(=O)NC2CC2)c1C ZINC000297721013 489229994 /nfs/dbraw/zinc/22/99/94/489229994.db2.gz LNNXSAANZRWOQP-UHFFFAOYSA-N -1 3 350.404 0.566 10 0 FCAEHM O=C(Cn1cc(-c2ccccc2)nn1)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000297848179 489251109 /nfs/dbraw/zinc/25/11/09/489251109.db2.gz XGUZMFNZAIGSPT-UHFFFAOYSA-N -1 3 352.358 0.594 10 0 FCAEHM O=C(Cn1cc(-c2ccccc2)nn1)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000297848179 489251113 /nfs/dbraw/zinc/25/11/13/489251113.db2.gz XGUZMFNZAIGSPT-UHFFFAOYSA-N -1 3 352.358 0.594 10 0 FCAEHM O=C(Cn1cc(-c2ccccc2)nn1)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000297848179 489251117 /nfs/dbraw/zinc/25/11/17/489251117.db2.gz XGUZMFNZAIGSPT-UHFFFAOYSA-N -1 3 352.358 0.594 10 0 FCAEHM Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000555294032 491245057 /nfs/dbraw/zinc/24/50/57/491245057.db2.gz KSYZOMSHBHAZEI-MFKMUULPSA-N -1 3 362.434 0.953 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC000555332135 491246510 /nfs/dbraw/zinc/24/65/10/491246510.db2.gz LNPZWNFLRNTXEC-PHIMTYICSA-N -1 3 368.411 0.798 10 0 FCAEHM O=C(N[C@H]1CCCN(c2cccnc2)C1=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000369955775 489296864 /nfs/dbraw/zinc/29/68/64/489296864.db2.gz VWPCIZHGAWCXQK-HNNXBMFYSA-N -1 3 364.361 0.891 10 0 FCAEHM CC(C)[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cn[nH]c2)C1 ZINC000349486824 489298107 /nfs/dbraw/zinc/29/81/07/489298107.db2.gz CNBOQWFLYDJOGW-GFCCVEGCSA-N -1 3 364.493 0.849 10 0 FCAEHM CC(C)[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cn[nH]c2)C1 ZINC000349486825 489298113 /nfs/dbraw/zinc/29/81/13/489298113.db2.gz CNBOQWFLYDJOGW-LBPRGKRZSA-N -1 3 364.493 0.849 10 0 FCAEHM Cc1n[nH]cc1[N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000349541524 489312034 /nfs/dbraw/zinc/31/20/34/489312034.db2.gz MDEOCZUBWRSVPJ-NWDGAFQWSA-N -1 3 362.477 0.568 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000298439291 489326136 /nfs/dbraw/zinc/32/61/36/489326136.db2.gz RHELXERSJLLOMP-QWRGUYRKSA-N -1 3 357.407 0.216 10 0 FCAEHM Cc1n[nH]cc1[N-]S(=O)(=O)CCCCS(=O)(=O)N1CCCO1 ZINC000349612797 489327887 /nfs/dbraw/zinc/32/78/87/489327887.db2.gz VRIQIXCWOZLSCY-UHFFFAOYSA-N -1 3 352.438 0.207 10 0 FCAEHM CC(C)[C@H](NC(=O)c1ccccc1)c1noc(C[C@@H]2NC(=O)[N-]C2=O)n1 ZINC000350323970 489338278 /nfs/dbraw/zinc/33/82/78/489338278.db2.gz KJZNOKUNIKHDAC-AAEUAGOBSA-N -1 3 357.370 0.947 10 0 FCAEHM C[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CCN1CCO ZINC000370399445 489354491 /nfs/dbraw/zinc/35/44/91/489354491.db2.gz KRESPCNGMBCHOY-GDBMZVCRSA-N -1 3 361.442 0.522 10 0 FCAEHM C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000298816622 489369152 /nfs/dbraw/zinc/36/91/52/489369152.db2.gz AQQVMKDMFRMUAQ-GHMZBOCLSA-N -1 3 353.423 0.965 10 0 FCAEHM C[C@@]1(C[C@@H]2CCCN2C(=O)c2cnc(OCC3CC3)cn2)NC(=O)[N-]C1=O ZINC000286254964 489374414 /nfs/dbraw/zinc/37/44/14/489374414.db2.gz PJSIHGQFTPMBBH-SGTLLEGYSA-N -1 3 373.413 0.858 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCN2C(=O)OC[C@@H]2C1 ZINC000362222393 489379077 /nfs/dbraw/zinc/37/90/77/489379077.db2.gz RFEYINDJZYGOHZ-QWRGUYRKSA-N -1 3 371.390 0.156 10 0 FCAEHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CN3CC(=O)NC3=O)c2)n1 ZINC000362859277 489401979 /nfs/dbraw/zinc/40/19/79/489401979.db2.gz KNCZZJQAUWWVLC-UHFFFAOYSA-N -1 3 355.354 0.902 10 0 FCAEHM O=C1CCC(=O)N1CC[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000286705048 489419445 /nfs/dbraw/zinc/41/94/45/489419445.db2.gz AXTBKYRORCMETN-UHFFFAOYSA-N -1 3 351.306 0.528 10 0 FCAEHM O=C(CS[C@@H]1CCS(=O)(=O)C1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000299331045 489432209 /nfs/dbraw/zinc/43/22/09/489432209.db2.gz GKTXAFBQZDHKDR-GFCCVEGCSA-N -1 3 367.456 0.403 10 0 FCAEHM O=C(CS[C@@H]1CCS(=O)(=O)C1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000299331045 489432212 /nfs/dbraw/zinc/43/22/12/489432212.db2.gz GKTXAFBQZDHKDR-GFCCVEGCSA-N -1 3 367.456 0.403 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCNC(=O)C[C@H]1C ZINC000371050949 489446322 /nfs/dbraw/zinc/44/63/22/489446322.db2.gz ZMTMNEPKPQRUFV-MNOVXSKESA-N -1 3 357.407 0.230 10 0 FCAEHM Cn1cc([C@H](O)CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cn1 ZINC000363281705 489447781 /nfs/dbraw/zinc/44/77/81/489447781.db2.gz CEHKBBKUGSYRMI-GOEBONIOSA-N -1 3 358.398 0.580 10 0 FCAEHM C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000287072709 489458070 /nfs/dbraw/zinc/45/80/70/489458070.db2.gz MWWZAFDSCGBGMY-QFYYESIMSA-N -1 3 354.407 0.348 10 0 FCAEHM NC(=O)C1=NO[C@@H](C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)C1 ZINC000287334610 489478344 /nfs/dbraw/zinc/47/83/44/489478344.db2.gz KZDRDWHLBZKJEJ-ZCFIWIBFSA-N -1 3 352.294 0.009 10 0 FCAEHM CN1CCO[C@@H](CS(=O)(=O)[N-]C[C@H](n2cccn2)C(F)(F)F)C1 ZINC000632589724 493038228 /nfs/dbraw/zinc/03/82/28/493038228.db2.gz WLZFLXVTMWVZLJ-MNOVXSKESA-N -1 3 356.370 0.237 10 0 FCAEHM CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000451295175 489497394 /nfs/dbraw/zinc/49/73/94/489497394.db2.gz DJPVTPPVHJHJPD-KPZWWZAWSA-N -1 3 366.462 0.764 10 0 FCAEHM Cc1cn2c(n1)CN(C(=O)c1ccc([C@]3(C)NC(=O)[N-]C3=O)cc1)CC2 ZINC000371726694 489502430 /nfs/dbraw/zinc/50/24/30/489502430.db2.gz IFKTZFGUCUDBKY-SFHVURJKSA-N -1 3 353.382 0.902 10 0 FCAEHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]C[C@H]1CCCCN1CCO ZINC000451666481 489515786 /nfs/dbraw/zinc/51/57/86/489515786.db2.gz HAVZQVUQFKIMAH-GFCCVEGCSA-N -1 3 374.459 0.754 10 0 FCAEHM CC[C@H]([N-]S(=O)(=O)C1CN(C(=O)C2CCCC2)C1)[C@@H](O)C(F)F ZINC000451717483 489519549 /nfs/dbraw/zinc/51/95/49/489519549.db2.gz TUXKLEJWCWVKDC-NWDGAFQWSA-N -1 3 354.419 0.711 10 0 FCAEHM COC(=O)[C@@H](C)CS(=O)(=O)[N-][C@@H]1CCCN(c2ccccc2)C1=O ZINC000371948144 489527662 /nfs/dbraw/zinc/52/76/62/489527662.db2.gz NYDMWPKXYUYEAM-GXTWGEPZSA-N -1 3 354.428 0.911 10 0 FCAEHM C[C@]1(c2cccc(C(=O)N[C@H]3CCC[C@@H](C(N)=O)C3)c2)NC(=O)[N-]C1=O ZINC000426404326 489565693 /nfs/dbraw/zinc/56/56/93/489565693.db2.gz ZEWRTOLSRQFLGD-SBOFIZKASA-N -1 3 358.398 0.515 10 0 FCAEHM COC1CCC(CNC(=O)CC[N-]S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000426866407 489584912 /nfs/dbraw/zinc/58/49/12/489584912.db2.gz IQZJRONDEPHHEL-UHFFFAOYSA-N -1 3 372.491 0.718 10 0 FCAEHM NC(=O)C1(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)CC1 ZINC000426929599 489587233 /nfs/dbraw/zinc/58/72/33/489587233.db2.gz SJPHCOLFZDWWBV-UHFFFAOYSA-N -1 3 366.374 0.702 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)NCC[C@](C)(O)COC)ccc1F ZINC000455397913 489591221 /nfs/dbraw/zinc/59/12/21/489591221.db2.gz DEBNKFFGJGTORC-AWEZNQCLSA-N -1 3 363.411 0.643 10 0 FCAEHM CNC(=O)[C@H](CCSC)[N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C ZINC000416489667 489600525 /nfs/dbraw/zinc/60/05/25/489600525.db2.gz SEMJAKIUSPTLSV-QWRGUYRKSA-N -1 3 360.505 0.926 10 0 FCAEHM CC[C@H](CNS(C)(=O)=O)[N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C ZINC000416497957 489601593 /nfs/dbraw/zinc/60/15/93/489601593.db2.gz UEGUYSYWDQOZDM-WDEREUQCSA-N -1 3 364.493 0.387 10 0 FCAEHM O=S(=O)([N-]C[C@@H](O)Cn1ccnn1)c1cc(Cl)ccc1Cl ZINC000416550956 489608725 /nfs/dbraw/zinc/60/87/25/489608725.db2.gz ADSSREJRYHPUDM-SECBINFHSA-N -1 3 351.215 0.924 10 0 FCAEHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](CO)c1ccnn1C ZINC000416547870 489608840 /nfs/dbraw/zinc/60/88/40/489608840.db2.gz MEHVCLDHRUYHOX-NSHDSACASA-N -1 3 373.818 0.872 10 0 FCAEHM NC(=O)C[C@@H]1COCCN1C(=O)Cc1ccc(Br)cc1[O-] ZINC000457060143 489634254 /nfs/dbraw/zinc/63/42/54/489634254.db2.gz OGFVXJWBCHYWJL-LLVKDONJSA-N -1 3 357.204 0.800 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CC[C@@H](C)C[C@H]1C(N)=O ZINC000428128260 489639187 /nfs/dbraw/zinc/63/91/87/489639187.db2.gz AUFFPHOTUGVZMT-MDZLAQPJSA-N -1 3 371.434 0.605 10 0 FCAEHM CCN(CCS(C)(=O)=O)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000372821403 489640229 /nfs/dbraw/zinc/64/02/29/489640229.db2.gz OESWDLFEQUFJJM-CQSZACIVSA-N -1 3 368.455 0.890 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)N2CCO[C@@H]([C@@H](C)O)C2)ccc1F ZINC000417098101 489641040 /nfs/dbraw/zinc/64/10/40/489641040.db2.gz BLCXZBXVVKGAFJ-BXKDBHETSA-N -1 3 361.395 0.347 10 0 FCAEHM CCOC(=O)[C@@H](Cc1ccccn1)[N-]S(=O)(=O)c1cn(CC)cn1 ZINC000428415703 489646925 /nfs/dbraw/zinc/64/69/25/489646925.db2.gz YPMOLTGOMHFNRU-CYBMUJFWSA-N -1 3 352.416 0.751 10 0 FCAEHM C[C@]1(c2ccc(CNC(=O)N3C[C@H]4CCC[C@@H](C3)N4)cc2)NC(=O)[N-]C1=O ZINC000417426179 489651699 /nfs/dbraw/zinc/65/16/99/489651699.db2.gz FVROAIWNNPVTAI-ZRGWGRIASA-N -1 3 371.441 0.777 10 0 FCAEHM O=C(c1ccccc1)N1CC(S(=O)(=O)N2CCc3nc[n-]c(=O)c3C2)C1 ZINC000373124851 489670795 /nfs/dbraw/zinc/67/07/95/489670795.db2.gz RBSCAZCECDKNCL-UHFFFAOYSA-N -1 3 374.422 0.395 10 0 FCAEHM C[C@]1(c2ccc(CNC(=O)NC[C@@H]3CCC[C@H]3O)cc2)NC(=O)[N-]C1=O ZINC000458196081 489673495 /nfs/dbraw/zinc/67/34/95/489673495.db2.gz IEVNKKMUTXHEKL-WPKBUWHJSA-N -1 3 360.414 0.701 10 0 FCAEHM COc1cc(C(=O)N2CCN(Cc3nnc(C)[nH]3)CC2)cc(OC)c1[O-] ZINC000489177122 489698724 /nfs/dbraw/zinc/69/87/24/489698724.db2.gz HBAWYXRWLRYMSG-UHFFFAOYSA-N -1 3 361.402 0.794 10 0 FCAEHM Cn1cc(C[C@@H](O)C(=O)Nc2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)cn1 ZINC000469346806 489703742 /nfs/dbraw/zinc/70/37/42/489703742.db2.gz ZORWLNPREWVQJG-DYVFJYSZSA-N -1 3 357.370 0.017 10 0 FCAEHM O=C([N-]c1cnns1)C(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000430013873 489714316 /nfs/dbraw/zinc/71/43/16/489714316.db2.gz YDXSNEWZBBPTDB-NSHDSACASA-N -1 3 363.374 0.533 10 0 FCAEHM Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)C(=O)[N-]c1cnns1 ZINC000430015664 489714978 /nfs/dbraw/zinc/71/49/78/489714978.db2.gz MHMWVWGDBJCWLA-SNVBAGLBSA-N -1 3 350.404 0.427 10 0 FCAEHM COC(=O)[C@H](CNC(=O)C(=O)[N-]c1cnns1)Cc1cccc(F)c1 ZINC000430064553 489718857 /nfs/dbraw/zinc/71/88/57/489718857.db2.gz IAHPVJVARVCGRW-JTQLQIEISA-N -1 3 366.374 0.764 10 0 FCAEHM Cc1nc2ccc(S(=O)(=O)N3CCN4C(=O)[N-]C(=O)[C@H]4C3)cc2s1 ZINC000489724668 489726371 /nfs/dbraw/zinc/72/63/71/489726371.db2.gz ZRIYFAITXRVKFZ-LLVKDONJSA-N -1 3 366.424 0.529 10 0 FCAEHM Cc1cccc(N2CCN(CCC(=O)NC3(c4nnn[n-]4)CC3)CC2)c1 ZINC000430328424 489730849 /nfs/dbraw/zinc/73/08/49/489730849.db2.gz ZTVBTKWBUWPVKO-UHFFFAOYSA-N -1 3 355.446 0.826 10 0 FCAEHM Cc1cccc(N2CCN(CCC(=O)NC3(c4nn[n-]n4)CC3)CC2)c1 ZINC000430328424 489730851 /nfs/dbraw/zinc/73/08/51/489730851.db2.gz ZTVBTKWBUWPVKO-UHFFFAOYSA-N -1 3 355.446 0.826 10 0 FCAEHM C[C@@H]1CN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)[C@@H](C)[C@@H](C)O1 ZINC000474333097 489755858 /nfs/dbraw/zinc/75/58/58/489755858.db2.gz RCMSRJIFEXAVLB-HRDYMLBCSA-N -1 3 360.208 0.736 10 0 FCAEHM COc1nc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)n[n-]1 ZINC000490689491 489780630 /nfs/dbraw/zinc/78/06/30/489780630.db2.gz FVTVTZGYNWPPJF-QMMMGPOBSA-N -1 3 351.388 0.776 10 0 FCAEHM COc1nnc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)[n-]1 ZINC000490689491 489780633 /nfs/dbraw/zinc/78/06/33/489780633.db2.gz FVTVTZGYNWPPJF-QMMMGPOBSA-N -1 3 351.388 0.776 10 0 FCAEHM COc1n[n-]c(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)n1 ZINC000490689491 489780635 /nfs/dbraw/zinc/78/06/35/489780635.db2.gz FVTVTZGYNWPPJF-QMMMGPOBSA-N -1 3 351.388 0.776 10 0 FCAEHM CCn1cnnc1C[N-]S(=O)(=O)c1c(OC)cc(OC)cc1OC ZINC000491225035 489798491 /nfs/dbraw/zinc/79/84/91/489798491.db2.gz SZRWDDVDURHTSJ-UHFFFAOYSA-N -1 3 356.404 0.802 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)Cc2ccccc2S(C)(=O)=O)n[n-]1 ZINC000376839398 489803099 /nfs/dbraw/zinc/80/30/99/489803099.db2.gz PWNZSVNXUYWQBZ-UHFFFAOYSA-N -1 3 359.411 1.395 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)Cc2ccccc2S(C)(=O)=O)[n-]n1 ZINC000376839398 489803100 /nfs/dbraw/zinc/80/31/00/489803100.db2.gz PWNZSVNXUYWQBZ-UHFFFAOYSA-N -1 3 359.411 1.395 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)[C@@H]2COCCN2CC(F)(F)F)n[n-]1 ZINC000376838907 489803477 /nfs/dbraw/zinc/80/34/77/489803477.db2.gz LEXHTCYVAHMXPW-JTQLQIEISA-N -1 3 358.324 1.012 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)[C@@H]2COCCN2CC(F)(F)F)[n-]n1 ZINC000376838907 489803479 /nfs/dbraw/zinc/80/34/79/489803479.db2.gz LEXHTCYVAHMXPW-JTQLQIEISA-N -1 3 358.324 1.012 10 0 FCAEHM COC(=O)Cn1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])n1 ZINC000376846577 489804993 /nfs/dbraw/zinc/80/49/93/489804993.db2.gz SELBJUNBZKZXON-ZDUSSCGKSA-N -1 3 372.381 1.005 10 0 FCAEHM CNC(=O)CN(C)C(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000492850456 489837550 /nfs/dbraw/zinc/83/75/50/489837550.db2.gz IVYAAPJSJPJLDS-UHFFFAOYSA-N -1 3 371.440 0.638 10 0 FCAEHM COCCCCS(=O)(=O)NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000475755034 489845981 /nfs/dbraw/zinc/84/59/81/489845981.db2.gz KWTIOPDYTIUULH-INIZCTEOSA-N -1 3 369.443 0.587 10 0 FCAEHM CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000564013578 491283347 /nfs/dbraw/zinc/28/33/47/491283347.db2.gz YGDLTWIISVAIFB-WCQYABFASA-N -1 3 363.443 0.919 10 0 FCAEHM C[C@H](CCNC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)[S@](C)=O ZINC000493864356 489859582 /nfs/dbraw/zinc/85/95/82/489859582.db2.gz NRPOZTUKVIKWEQ-RGCOTDKRSA-N -1 3 351.428 0.628 10 0 FCAEHM NC(=O)c1coc(C[N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)c1 ZINC000494309200 489882067 /nfs/dbraw/zinc/88/20/67/489882067.db2.gz JEWDBKGTVIHWCU-UHFFFAOYSA-N -1 3 367.358 0.881 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]Cc1cc(C(N)=O)co1 ZINC000494370949 489886958 /nfs/dbraw/zinc/88/69/58/489886958.db2.gz VZZMWZOVQALEJA-UHFFFAOYSA-N -1 3 358.397 0.261 10 0 FCAEHM COCCCCS(=O)(=O)[N-]C1(C(=O)OC)CCC(C(=O)OC)CC1 ZINC000476498475 489894744 /nfs/dbraw/zinc/89/47/44/489894744.db2.gz BLKVXHZSTQKFKQ-UHFFFAOYSA-N -1 3 365.448 0.607 10 0 FCAEHM CS(=O)(=O)CCCS(=O)(=O)[N-]C1(C(=O)Nc2ccccc2)CC1 ZINC000494604865 489899878 /nfs/dbraw/zinc/89/98/78/489899878.db2.gz QNRMBZJBXSARSB-UHFFFAOYSA-N -1 3 360.457 0.512 10 0 FCAEHM NC(=O)COc1ccc(Cl)cc1S(=O)(=O)[N-]CC1(CCO)CC1 ZINC000494609543 489900050 /nfs/dbraw/zinc/90/00/50/489900050.db2.gz QMDVEMDLSSAZSG-UHFFFAOYSA-N -1 3 362.835 0.645 10 0 FCAEHM CC(C)Oc1cccc(CNC(=O)CN2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000434797955 489957645 /nfs/dbraw/zinc/95/76/45/489957645.db2.gz VGESZBBCIVSCOJ-LJQANCHMSA-N -1 3 374.441 0.764 10 0 FCAEHM CNC(=O)CN1CCN(C(=O)Cc2ccc(Br)cc2[O-])CC1 ZINC000477370531 489960575 /nfs/dbraw/zinc/96/05/75/489960575.db2.gz AIPXBSGIVVMENC-UHFFFAOYSA-N -1 3 370.247 0.587 10 0 FCAEHM COC(=O)c1cncnc1NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000571188282 491291502 /nfs/dbraw/zinc/29/15/02/491291502.db2.gz AJZLTGSOHDJGJH-QGZVFWFLSA-N -1 3 355.354 0.930 10 0 FCAEHM COCc1csc(NC(=O)C[N-]S(=O)(=O)CCOC(C)C)n1 ZINC000477493148 489969792 /nfs/dbraw/zinc/96/97/92/489969792.db2.gz PUWYWTJLUUHCPI-UHFFFAOYSA-N -1 3 351.450 0.572 10 0 FCAEHM Cn1ncc2c1nc(NCc1ccc([C@@]3(C)NC(=O)[N-]C3=O)cc1)nc2N ZINC000436386214 490006820 /nfs/dbraw/zinc/00/68/20/490006820.db2.gz JFEYJJQVGOQJME-QGZVFWFLSA-N -1 3 366.385 0.612 10 0 FCAEHM COc1ccsc1S(=O)(=O)[N-][C@@H]1CCN(C2CCOCC2)C1=O ZINC000378161571 490021022 /nfs/dbraw/zinc/02/10/22/490021022.db2.gz RIGTYTPXPITAFC-LLVKDONJSA-N -1 3 360.457 0.815 10 0 FCAEHM Cn1ccnc(N2CCN(C(=O)c3cc(F)cc4[n-]nnc43)CC2)c1=O ZINC000564217184 491295048 /nfs/dbraw/zinc/29/50/48/491295048.db2.gz CDMRTMUJBRFXDO-UHFFFAOYSA-N -1 3 357.349 0.153 10 0 FCAEHM Cn1ccnc(N2CCN(C(=O)c3cc(F)cc4nn[n-]c43)CC2)c1=O ZINC000564217184 491295049 /nfs/dbraw/zinc/29/50/49/491295049.db2.gz CDMRTMUJBRFXDO-UHFFFAOYSA-N -1 3 357.349 0.153 10 0 FCAEHM Cn1ccnc(N2CCN(C(=O)c3cc(F)cc4n[n-]nc43)CC2)c1=O ZINC000564217184 491295051 /nfs/dbraw/zinc/29/50/51/491295051.db2.gz CDMRTMUJBRFXDO-UHFFFAOYSA-N -1 3 357.349 0.153 10 0 FCAEHM Cc1cc(S(=O)(=O)[N-]CC(=O)Nc2ccn(C)n2)c(Cl)cc1F ZINC000439206830 490039645 /nfs/dbraw/zinc/03/96/45/490039645.db2.gz ZPQRPXLKMWPUAS-UHFFFAOYSA-N -1 3 360.798 1.438 10 0 FCAEHM CC1(C)[C@H](O)CCN1C(=O)NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000464222114 490047875 /nfs/dbraw/zinc/04/78/75/490047875.db2.gz QTZBAVNVIPRIOS-ACJLOTCBSA-N -1 3 360.414 0.796 10 0 FCAEHM C[C@@H](CO[C@H]1CCOC1)[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000441540238 490054833 /nfs/dbraw/zinc/05/48/33/490054833.db2.gz KHDAZPBHTNLQMH-RYUDHWBXSA-N -1 3 363.457 0.562 10 0 FCAEHM COC[C@@H]1CCN1S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1CC1 ZINC000571263440 491296264 /nfs/dbraw/zinc/29/62/64/491296264.db2.gz NIEZSWJXSNDGPY-LBPRGKRZSA-N -1 3 360.457 0.537 10 0 FCAEHM C[C@@]1(c2cccc(NC(=O)C3(N4CCOCC4)CCC3)c2)NC(=O)[N-]C1=O ZINC000378369850 490056519 /nfs/dbraw/zinc/05/65/19/490056519.db2.gz LVEWEDBLRWVHTF-SFHVURJKSA-N -1 3 372.425 0.935 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CC[C@@H](C(=O)NC)C1 ZINC000421281817 490066850 /nfs/dbraw/zinc/06/68/50/490066850.db2.gz VHBOYPPPCRIYTA-SNVBAGLBSA-N -1 3 367.427 0.766 10 0 FCAEHM COC[C@@](C)([N-]S(=O)(=O)c1ccc(-n2cnnn2)cc1)C(F)(F)F ZINC000479127654 490067657 /nfs/dbraw/zinc/06/76/57/490067657.db2.gz DODDVZKPENMOQI-LLVKDONJSA-N -1 3 365.337 0.908 10 0 FCAEHM Cc1csc2ncc(C(=O)Nc3cc(-c4nccn4C)[n-]n3)c(=O)n12 ZINC000378460243 490069253 /nfs/dbraw/zinc/06/92/53/490069253.db2.gz IIHRMNHMFNTEAW-UHFFFAOYSA-N -1 3 355.383 1.440 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]Cc2ncn(Cc3cccc(F)c3)n2)c1 ZINC000444274452 490079564 /nfs/dbraw/zinc/07/95/64/490079564.db2.gz BNMWYLQFOFFSTH-UHFFFAOYSA-N -1 3 350.379 0.678 10 0 FCAEHM COCCOCCS(=O)(=O)[N-][C@@H]1CCCN(c2cccnc2)C1=O ZINC000378645820 490121393 /nfs/dbraw/zinc/12/13/93/490121393.db2.gz FYRSYHBNVMXQQD-CQSZACIVSA-N -1 3 357.432 0.159 10 0 FCAEHM CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000545913149 490166774 /nfs/dbraw/zinc/16/67/74/490166774.db2.gz SMKVMGCSYZQYAN-UHFFFAOYSA-N -1 3 367.450 0.594 10 0 FCAEHM COCn1nccc1S(=O)(=O)[N-][C@@H](c1cnn(C)c1)C(F)(F)F ZINC000480362245 490182853 /nfs/dbraw/zinc/18/28/53/490182853.db2.gz IOWCGZWZFJEDRU-JTQLQIEISA-N -1 3 353.326 0.802 10 0 FCAEHM CN1CCO[C@@H]2CCN(C(=O)c3ccc([N-]S(C)(=O)=O)cc3)C[C@@H]21 ZINC000408021473 490210993 /nfs/dbraw/zinc/21/09/93/490210993.db2.gz IDWAGXAROCVGTG-LSDHHAIUSA-N -1 3 353.444 0.603 10 0 FCAEHM C[C@@H]([N-]S(C)(=O)=O)c1nc(-c2ccc(OCC(=O)N(C)C)cc2)no1 ZINC000546390460 490214011 /nfs/dbraw/zinc/21/40/11/490214011.db2.gz ZPJVANHLDUQHIQ-SNVBAGLBSA-N -1 3 368.415 0.814 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]Cc2nc([C@@H]3CCO[C@@H](C)C3)no2)cn1C ZINC000546509763 490217009 /nfs/dbraw/zinc/21/70/09/490217009.db2.gz RANNWVXMAGDVQK-GXSJLCMTSA-N -1 3 355.420 0.873 10 0 FCAEHM CCn1cncc1S(=O)(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000533330607 490217541 /nfs/dbraw/zinc/21/75/41/490217541.db2.gz HFTUKHAWBBJDOJ-UHFFFAOYSA-N -1 3 364.474 0.221 10 0 FCAEHM CCOC(=O)C[C@H](NC(=O)CN1CC(=O)[N-]C1=O)c1cccc(OC)c1 ZINC000521166237 490232065 /nfs/dbraw/zinc/23/20/65/490232065.db2.gz MXTHFLNLFXSYGX-ZDUSSCGKSA-N -1 3 363.370 0.358 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000482187655 490239060 /nfs/dbraw/zinc/23/90/60/490239060.db2.gz WZIJLDBAEBPJTE-ZDUSSCGKSA-N -1 3 358.398 0.207 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NS(=O)(=O)N2CCC[C@@H]2C)ccc1F ZINC000507622819 490239399 /nfs/dbraw/zinc/23/93/99/490239399.db2.gz VJSCQNMEGQULOJ-VIFPVBQESA-N -1 3 351.425 0.875 10 0 FCAEHM COc1ccccc1[C@H](CO)[N-]S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000533551670 490254116 /nfs/dbraw/zinc/25/41/16/490254116.db2.gz IGOKWKDBLUBTNF-AWEZNQCLSA-N -1 3 350.396 0.806 10 0 FCAEHM Cn1ccnc1CN1CCC[C@H]([N-]S(=O)(=O)c2cscn2)C1=O ZINC000521431281 490259972 /nfs/dbraw/zinc/25/99/72/490259972.db2.gz NGBGNBJPLYTHLP-JTQLQIEISA-N -1 3 355.445 0.346 10 0 FCAEHM CN1CCC(=O)Nc2cc(C(=O)N3CCC[C@@]4(C3)NC(=O)[N-]C4=O)ccc21 ZINC000447748482 490264742 /nfs/dbraw/zinc/26/47/42/490264742.db2.gz XRUWNKJCXCANHH-SFHVURJKSA-N -1 3 371.397 0.279 10 0 FCAEHM Cc1ccccc1[C@@H](CC(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O)NC(N)=O ZINC000447747247 490265322 /nfs/dbraw/zinc/26/53/22/490265322.db2.gz SWOVLEAYZCFWOR-ACJLOTCBSA-N -1 3 373.413 0.295 10 0 FCAEHM COCCOc1cccc(CC(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000447748284 490265570 /nfs/dbraw/zinc/26/55/70/490265570.db2.gz WTPXBPJBWDCHGG-SFHVURJKSA-N -1 3 361.398 0.455 10 0 FCAEHM NC(=O)[C@H]1CCCCC[C@@H]1NC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000467204233 490266967 /nfs/dbraw/zinc/26/69/67/490266967.db2.gz XUKRLFARYQAPAC-RYUDHWBXSA-N -1 3 373.500 0.967 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CC[C@H](Nc2ncccn2)C1 ZINC000571525053 491313287 /nfs/dbraw/zinc/31/32/87/491313287.db2.gz HVSYOOJNWFROCY-NSHDSACASA-N -1 3 367.456 0.529 10 0 FCAEHM CCC[C@H](C)[C@H](CO)NC(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000571530687 491314022 /nfs/dbraw/zinc/31/40/22/491314022.db2.gz WMSNIBRGWRQAAZ-AAEUAGOBSA-N -1 3 360.480 0.310 10 0 FCAEHM CC(=O)N1CSC[C@@H]1C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000408233869 490281287 /nfs/dbraw/zinc/28/12/87/490281287.db2.gz YEAAYTSJJJFLAA-GFCCVEGCSA-N -1 3 350.400 0.443 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-][C@@H](CS(C)(=O)=O)c2ccccc2)c1 ZINC000533800909 490285050 /nfs/dbraw/zinc/28/50/50/490285050.db2.gz FZFHDQFTYZDJBB-ZDUSSCGKSA-N -1 3 357.457 0.967 10 0 FCAEHM CS(=O)(=O)[N-]c1cc(C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)ccc1F ZINC000408248190 490287377 /nfs/dbraw/zinc/28/73/77/490287377.db2.gz SVQIKDHUDCFJHR-MRXNPFEDSA-N -1 3 369.418 0.940 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)c(C)o1 ZINC000408253616 490287670 /nfs/dbraw/zinc/28/76/70/490287670.db2.gz ILGDOMVBRVHGMU-OAHLLOKOSA-N -1 3 355.416 0.238 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)NC[C@@H]2C[C@H]2C)s1 ZINC000467519237 490305758 /nfs/dbraw/zinc/30/57/58/490305758.db2.gz AYWWARHPLLDYEP-KOLCDFICSA-N -1 3 359.473 0.435 10 0 FCAEHM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)[N-][C@@H]2CCCN(c3ccnn3C)C2=O)C1 ZINC000408383573 490321586 /nfs/dbraw/zinc/32/15/86/490321586.db2.gz AIJQZJNSALPUCD-MGPQQGTHSA-N -1 3 369.491 0.728 10 0 FCAEHM Cn1nccc1N1CCC[C@@H]([N-]S(=O)(=O)N2CCCCCC2)C1=O ZINC000408387460 490322602 /nfs/dbraw/zinc/32/26/02/490322602.db2.gz XVRFVIQBGMBAQP-CYBMUJFWSA-N -1 3 355.464 0.626 10 0 FCAEHM Cc1cc(N2CCC[C@@H]([N-]S(=O)(=O)N3CCC(C)CC3)C2=O)n(C)n1 ZINC000408416472 490331680 /nfs/dbraw/zinc/33/16/80/490331680.db2.gz UFKPNVWONDCZNC-CQSZACIVSA-N -1 3 369.491 0.790 10 0 FCAEHM CC(C)(C)c1nnc(C[N-]S(=O)(=O)CCCS(C)(=O)=O)s1 ZINC000467760549 490337165 /nfs/dbraw/zinc/33/71/65/490337165.db2.gz YTCLKUCLGJAHII-UHFFFAOYSA-N -1 3 355.507 0.690 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CCSC[C@@H]1CCO ZINC000534343844 490356824 /nfs/dbraw/zinc/35/68/24/490356824.db2.gz PHZLQSBWYDDALU-NSHDSACASA-N -1 3 364.514 0.743 10 0 FCAEHM CC(C)OCCS(=O)(=O)[N-]CC(=O)Nc1cc(C(F)(F)F)n[nH]1 ZINC000448518083 490360530 /nfs/dbraw/zinc/36/05/30/490360530.db2.gz YWJORNPXNFCDBM-UHFFFAOYSA-N -1 3 358.342 0.711 10 0 FCAEHM COc1cc(NC(=O)CC[N-]S(=O)(=O)c2ccccc2F)nn1C ZINC000547816137 490363136 /nfs/dbraw/zinc/36/31/36/490363136.db2.gz MIKOMKPKURHUGD-UHFFFAOYSA-N -1 3 356.379 0.875 10 0 FCAEHM O=C(CNC(=O)c1ccc([O-])cc1)NCc1cccc(N2CCOCC2)n1 ZINC000547862324 490368249 /nfs/dbraw/zinc/36/82/49/490368249.db2.gz DIPCDQPWGNGVJC-UHFFFAOYSA-N -1 3 370.409 0.670 10 0 FCAEHM C[C@@H](NC(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1)[C@H](C)CO ZINC000534564170 490382745 /nfs/dbraw/zinc/38/27/45/490382745.db2.gz FRONYQPUBRXEIP-NXEZZACHSA-N -1 3 350.387 0.766 10 0 FCAEHM COc1cccc(-c2noc([C@@H](C)NC(=O)C[C@@H]3NC(=O)[N-]C3=O)n2)c1 ZINC000534589725 490386355 /nfs/dbraw/zinc/38/63/55/490386355.db2.gz IXPHEQOJGZAOBJ-KCJUWKMLSA-N -1 3 359.342 0.521 10 0 FCAEHM O=C(c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1)N1C[C@@H](O)C2(CC2)C1 ZINC000547981889 490401983 /nfs/dbraw/zinc/40/19/83/490401983.db2.gz DVWBOYXCNISIDG-MRXNPFEDSA-N -1 3 373.434 0.901 10 0 FCAEHM CC(C)c1nn(C)cc1NC(=O)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000484277171 490407557 /nfs/dbraw/zinc/40/75/57/490407557.db2.gz BXUWXSFFEYPSHW-UHFFFAOYSA-N -1 3 359.312 0.935 10 0 FCAEHM CC(C)c1nn(C)cc1NC(=O)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000484277171 490407562 /nfs/dbraw/zinc/40/75/62/490407562.db2.gz BXUWXSFFEYPSHW-UHFFFAOYSA-N -1 3 359.312 0.935 10 0 FCAEHM CC(C)c1nn(C)cc1NC(=O)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000484277171 490407575 /nfs/dbraw/zinc/40/75/75/490407575.db2.gz BXUWXSFFEYPSHW-UHFFFAOYSA-N -1 3 359.312 0.935 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N2C[C@@H](C)[C@H]2C)s1 ZINC000509639418 490447689 /nfs/dbraw/zinc/44/76/89/490447689.db2.gz UXJYONIZTSTOJL-NXEZZACHSA-N -1 3 359.473 0.529 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC(=O)Nc1cccnc1 ZINC000509666781 490449519 /nfs/dbraw/zinc/44/95/19/490449519.db2.gz XMWWBJIQQSRCQJ-UHFFFAOYSA-N -1 3 369.424 0.402 10 0 FCAEHM COC(=O)[C@H]1CCN(C(=O)NCc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)C1 ZINC000523215830 490449962 /nfs/dbraw/zinc/44/99/62/490449962.db2.gz GVIRDDBKAWOBHT-KPZWWZAWSA-N -1 3 374.397 0.446 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C(=O)OC)c2ccn(C)n2)s1 ZINC000468808241 490450982 /nfs/dbraw/zinc/45/09/82/490450982.db2.gz DEHVWNYADVSXTC-LLVKDONJSA-N -1 3 373.412 0.461 10 0 FCAEHM COC(=O)C1(NC(=O)CN2CCC[C@@H]2c2nc(=N)n(C)[n-]2)CCCCC1 ZINC000450916525 490498924 /nfs/dbraw/zinc/49/89/24/490498924.db2.gz VWGZWFCPAMNHIV-GFCCVEGCSA-N -1 3 364.450 0.357 10 0 FCAEHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N(CCO)[C@H]1CCO[C@H]1C ZINC000485155734 490507508 /nfs/dbraw/zinc/50/75/08/490507508.db2.gz YAGYPZKIOJLQBL-JQWIXIFHSA-N -1 3 370.427 0.862 10 0 FCAEHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@H]1C[C@@H](OC)C1 ZINC000510390562 490512794 /nfs/dbraw/zinc/51/27/94/490512794.db2.gz CTATYSYCEBZMFN-TXEJJXNPSA-N -1 3 362.473 0.783 10 0 FCAEHM CC(C)[C@@H]1C[C@@H](CNC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)CCO1 ZINC000571853126 491333094 /nfs/dbraw/zinc/33/30/94/491333094.db2.gz ORDHEYGXTKNIBS-STQMWFEESA-N -1 3 358.464 0.266 10 0 FCAEHM CCC1(CC)CN(C(=O)CNC(=O)c2ccc([O-])cc2)CCS1(=O)=O ZINC000548661130 490524068 /nfs/dbraw/zinc/52/40/68/490524068.db2.gz WBYDENNFBJCFCF-UHFFFAOYSA-N -1 3 368.455 0.938 10 0 FCAEHM CCOC(=O)CC[C@H](C)NC(=O)N1CCC[C@H]1C[C@@]1(C)NC(=O)[N-]C1=O ZINC000500525264 490531751 /nfs/dbraw/zinc/53/17/51/490531751.db2.gz NJNLUOZXRSZWPH-NVGCLXPQSA-N -1 3 368.434 0.880 10 0 FCAEHM O=C(Nc1cn(Cc2ccccc2)nn1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000548985515 490558817 /nfs/dbraw/zinc/55/88/17/490558817.db2.gz UWHHNTTURRYBGJ-GFCCVEGCSA-N -1 3 355.358 0.094 10 0 FCAEHM O=C(Nc1cn(Cc2ccccc2)nn1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000548985516 490559479 /nfs/dbraw/zinc/55/94/79/490559479.db2.gz UWHHNTTURRYBGJ-LBPRGKRZSA-N -1 3 355.358 0.094 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2c(C(=O)N3C[C@@H]4COC[C@H](C3)O4)cc(C3CC3)nc21 ZINC000549131771 490565931 /nfs/dbraw/zinc/56/59/31/490565931.db2.gz ABFCTVCSKLCDHN-PHIMTYICSA-N -1 3 372.381 0.151 10 0 FCAEHM COC(=O)C1CCN(CCCNC(=O)c2cc(=O)[n-]c(N(C)C)n2)CC1 ZINC000549239962 490571184 /nfs/dbraw/zinc/57/11/84/490571184.db2.gz LRWGECIZJJFLQD-UHFFFAOYSA-N -1 3 365.434 0.253 10 0 FCAEHM CCOC(=O)CC[C@H](C)NC(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000536372663 490573711 /nfs/dbraw/zinc/57/37/11/490573711.db2.gz YPCQJRLMNBAFFM-NSHDSACASA-N -1 3 374.463 0.245 10 0 FCAEHM CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000549354054 490578758 /nfs/dbraw/zinc/57/87/58/490578758.db2.gz SEXOCENAVCRXTL-CYBMUJFWSA-N -1 3 359.386 0.547 10 0 FCAEHM CCOC(=O)[C@H](Cc1ccccn1)NC(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000549354055 490579211 /nfs/dbraw/zinc/57/92/11/490579211.db2.gz SEXOCENAVCRXTL-ZDUSSCGKSA-N -1 3 359.386 0.547 10 0 FCAEHM CC(C)CN1C[C@H]2CN(C(=O)c3cc(=O)[n-]c(N(C)C)n3)CCN2C1=O ZINC000549376736 490579789 /nfs/dbraw/zinc/57/97/89/490579789.db2.gz BPPXFIZYGUQYMY-GFCCVEGCSA-N -1 3 362.434 0.466 10 0 FCAEHM CS(=O)(=O)N1CCCC[C@@H]1C[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000511412367 490593230 /nfs/dbraw/zinc/59/32/30/490593230.db2.gz HYIATWOLXSEEBT-LLVKDONJSA-N -1 3 367.880 0.827 10 0 FCAEHM CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000549731151 490598173 /nfs/dbraw/zinc/59/81/73/490598173.db2.gz DHAQBBYVBDZNLJ-WDEREUQCSA-N -1 3 352.391 0.431 10 0 FCAEHM CCn1cncc1S(=O)(=O)N1CCC[C@H]1C[C@]1(C)NC(=O)[N-]C1=O ZINC000556818611 491339311 /nfs/dbraw/zinc/33/93/11/491339311.db2.gz OLTDOQYOBVFWNZ-HZMBPMFUSA-N -1 3 355.420 0.044 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@H]2CCc3c2cccc3F)cn1C ZINC000511604143 490606677 /nfs/dbraw/zinc/60/66/77/490606677.db2.gz OCQQYGFVYNXBHR-AWEZNQCLSA-N -1 3 366.418 0.950 10 0 FCAEHM CCOC(=O)[C@@H](Cc1ccccn1)[N-]S(=O)(=O)CC[C@H]1CCOC1 ZINC000549815413 490609287 /nfs/dbraw/zinc/60/92/87/490609287.db2.gz UMAXTYBVCSXJAS-UKRRQHHQSA-N -1 3 356.444 0.902 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)ccc1F ZINC000486406929 490619418 /nfs/dbraw/zinc/61/94/18/490619418.db2.gz OJAZLKYLXKYNLT-VHSXEESVSA-N -1 3 372.422 0.852 10 0 FCAEHM CNS(=O)(=O)NC1CCN(C(=O)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000550110954 490626159 /nfs/dbraw/zinc/62/61/59/490626159.db2.gz VIIADSHRIWHAFS-UHFFFAOYSA-N -1 3 367.471 0.929 10 0 FCAEHM CN(C)c1nccc(N2CCN(C(=O)c3cccc4[n-]nnc43)CC2)n1 ZINC000525867510 490643275 /nfs/dbraw/zinc/64/32/75/490643275.db2.gz LFSYAVQDHRWZQR-UHFFFAOYSA-N -1 3 352.402 0.776 10 0 FCAEHM CN(C)c1nccc(N2CCN(C(=O)c3cccc4nn[n-]c43)CC2)n1 ZINC000525867510 490643277 /nfs/dbraw/zinc/64/32/77/490643277.db2.gz LFSYAVQDHRWZQR-UHFFFAOYSA-N -1 3 352.402 0.776 10 0 FCAEHM CN(C)c1nccc(N2CCN(C(=O)c3cccc4n[n-]nc43)CC2)n1 ZINC000525867510 490643281 /nfs/dbraw/zinc/64/32/81/490643281.db2.gz LFSYAVQDHRWZQR-UHFFFAOYSA-N -1 3 352.402 0.776 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)NC[C@]2(O)CCCC(C)(C)C2)c1 ZINC000525873407 490643739 /nfs/dbraw/zinc/64/37/39/490643739.db2.gz DAOUXRKMIPQNFY-HNNXBMFYSA-N -1 3 358.464 0.146 10 0 FCAEHM COC(=O)CC1(NC(=O)c2cccc3nn[n-]c32)CCS(=O)(=O)CC1 ZINC000525894932 490647837 /nfs/dbraw/zinc/64/78/37/490647837.db2.gz GDUDPMHVBSSDME-UHFFFAOYSA-N -1 3 366.399 0.198 10 0 FCAEHM COC(=O)CC1(NC(=O)c2cccc3[n-]nnc32)CCS(=O)(=O)CC1 ZINC000525894932 490647841 /nfs/dbraw/zinc/64/78/41/490647841.db2.gz GDUDPMHVBSSDME-UHFFFAOYSA-N -1 3 366.399 0.198 10 0 FCAEHM COC(=O)CC1(NC(=O)c2cccc3n[n-]nc32)CCS(=O)(=O)CC1 ZINC000525894932 490647844 /nfs/dbraw/zinc/64/78/44/490647844.db2.gz GDUDPMHVBSSDME-UHFFFAOYSA-N -1 3 366.399 0.198 10 0 FCAEHM O=C1CCC(=O)N1CC[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000525950910 490658371 /nfs/dbraw/zinc/65/83/71/490658371.db2.gz LAMPRUUFTFMSOY-UHFFFAOYSA-N -1 3 351.306 0.528 10 0 FCAEHM COC(=O)c1cc(C(=O)Nc2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)no1 ZINC000537212459 490661513 /nfs/dbraw/zinc/66/15/13/490661513.db2.gz HJKNYJXSAYFFJX-MRXNPFEDSA-N -1 3 358.310 0.768 10 0 FCAEHM C[C@@H](CNC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)N1CCCCC1=O ZINC000527007930 490691637 /nfs/dbraw/zinc/69/16/37/490691637.db2.gz WUBFGVDMOJLPGF-HXPMCKFVSA-N -1 3 372.425 0.872 10 0 FCAEHM COc1nc(NC(=O)[C@@H](Cc2cccc(OC)c2)n2nnnc2C)n[n-]1 ZINC000537735150 490692927 /nfs/dbraw/zinc/69/29/27/490692927.db2.gz UFRGZEARRBJYSQ-GFCCVEGCSA-N -1 3 358.362 0.539 10 0 FCAEHM COc1nnc(NC(=O)[C@@H](Cc2cccc(OC)c2)n2nnnc2C)[n-]1 ZINC000537735150 490692928 /nfs/dbraw/zinc/69/29/28/490692928.db2.gz UFRGZEARRBJYSQ-GFCCVEGCSA-N -1 3 358.362 0.539 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@@H](Cc2cccc(OC)c2)n2nnnc2C)n1 ZINC000537735150 490692931 /nfs/dbraw/zinc/69/29/31/490692931.db2.gz UFRGZEARRBJYSQ-GFCCVEGCSA-N -1 3 358.362 0.539 10 0 FCAEHM Cc1ccc(CN(CCO)C(=O)C[N-]S(=O)(=O)c2cccs2)o1 ZINC000527027731 490693184 /nfs/dbraw/zinc/69/31/84/490693184.db2.gz YLAKMBXQRKVPNZ-UHFFFAOYSA-N -1 3 358.441 0.949 10 0 FCAEHM COC(=O)COc1ccc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)c2ccccc12 ZINC000538003072 490704449 /nfs/dbraw/zinc/70/44/49/490704449.db2.gz VUBOGCYHFMEULQ-ZDUSSCGKSA-N -1 3 371.349 0.928 10 0 FCAEHM CCn1cc(S(=O)(=O)[N-]C[C@@H](Cc2ccc(F)cc2)C(N)=O)nc1C ZINC000502461008 490705952 /nfs/dbraw/zinc/70/59/52/490705952.db2.gz VLXLYNXFKZPQBS-CYBMUJFWSA-N -1 3 368.434 0.973 10 0 FCAEHM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccc(C)c1F ZINC000487343641 490706161 /nfs/dbraw/zinc/70/61/61/490706161.db2.gz VKYXWRDFFMQALZ-MNOVXSKESA-N -1 3 360.407 0.869 10 0 FCAEHM O=C(NCc1ncccc1[O-])C(=O)Nc1ncn(Cc2ccccc2)n1 ZINC000527188892 490706958 /nfs/dbraw/zinc/70/69/58/490706958.db2.gz DOWWWVUIMZZKAN-UHFFFAOYSA-N -1 3 352.354 0.682 10 0 FCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000487366123 490708936 /nfs/dbraw/zinc/70/89/36/490708936.db2.gz QIJLBGGHWFRLFZ-RKDXNWHRSA-N -1 3 364.370 0.699 10 0 FCAEHM CCCn1c(=O)[n-]nc1S(=O)(=O)[C@H](C)c1nnnn1-c1ccccc1 ZINC000502650684 490714059 /nfs/dbraw/zinc/71/40/59/490714059.db2.gz LXFJXGNFXYCCJY-SNVBAGLBSA-N -1 3 363.403 0.904 10 0 FCAEHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H](C)Cn2cncn2)s1 ZINC000502671989 490714589 /nfs/dbraw/zinc/71/45/89/490714589.db2.gz ZSCFPPYUHXZMHW-JTQLQIEISA-N -1 3 357.461 0.385 10 0 FCAEHM CN1CCN(C)[C@H](C[N-]S(=O)(=O)c2cnccc2C(F)(F)F)C1 ZINC000527485443 490728769 /nfs/dbraw/zinc/72/87/69/490728769.db2.gz OYURKAWHPLWIJT-SNVBAGLBSA-N -1 3 352.382 0.625 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CCO[C@@H](C(=O)C2CC2)C1 ZINC000513719102 490743900 /nfs/dbraw/zinc/74/39/00/490743900.db2.gz UKQXCMVCCXNOAI-GFCCVEGCSA-N -1 3 372.468 0.623 10 0 FCAEHM O=C(Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1)c1cn2cccnc2n1 ZINC000538822441 490751411 /nfs/dbraw/zinc/75/14/11/490751411.db2.gz ZXSNYMJHGBNXDR-LBPRGKRZSA-N -1 3 350.338 0.732 10 0 FCAEHM CCn1ncc(C[N-]S(=O)(=O)c2ccc(S(=O)(=O)CC)cc2)n1 ZINC000528444739 490798065 /nfs/dbraw/zinc/79/80/65/490798065.db2.gz FQXZTBKSPOZKLI-UHFFFAOYSA-N -1 3 358.445 0.570 10 0 FCAEHM CCn1ncc(C[N-]S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)n1 ZINC000528444324 490798336 /nfs/dbraw/zinc/79/83/36/490798336.db2.gz BEJMNTVDEXMVRJ-UHFFFAOYSA-N -1 3 373.460 0.027 10 0 FCAEHM CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-]C2(C(N)=O)CC2)s1 ZINC000539848909 490798404 /nfs/dbraw/zinc/79/84/04/490798404.db2.gz BYXXYPOQPLDLAY-UHFFFAOYSA-N -1 3 373.500 0.749 10 0 FCAEHM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@]12C[C@@H]1COC2(C)C ZINC000528485524 490802878 /nfs/dbraw/zinc/80/28/78/490802878.db2.gz CMLJUMNEXWOFGC-ABAIWWIYSA-N -1 3 374.484 0.783 10 0 FCAEHM O=S(=O)([N-]C[C@@H](O)[C@H]1CCCO1)c1cccnc1OCC(F)F ZINC000528485836 490803171 /nfs/dbraw/zinc/80/31/71/490803171.db2.gz KLTILKLDGILHTF-NXEZZACHSA-N -1 3 352.359 0.544 10 0 FCAEHM Cc1nn2cc(S(=O)(=O)[N-]C[C@@H](O)[C@H]3CCCO3)cnc2c1Cl ZINC000528494427 490803546 /nfs/dbraw/zinc/80/35/46/490803546.db2.gz XJMAVZCNIIHKMD-GHMZBOCLSA-N -1 3 360.823 0.509 10 0 FCAEHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]C[C@H](O)[C@H]2CCCO2)cc1F ZINC000528494793 490803796 /nfs/dbraw/zinc/80/37/96/490803796.db2.gz XTFVIFGHWMDBKY-NWDGAFQWSA-N -1 3 367.420 0.047 10 0 FCAEHM CCNC(=O)C1CN(C(=O)C(=O)[N-]c2sccc2C(=O)OCC)C1 ZINC000540298295 490814375 /nfs/dbraw/zinc/81/43/75/490814375.db2.gz UZGRLSXUGPLZPY-UHFFFAOYSA-N -1 3 353.400 0.458 10 0 FCAEHM COCC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl)C(N)=O ZINC000540484274 490825520 /nfs/dbraw/zinc/82/55/20/490825520.db2.gz CSQTUOAROYWAJN-SNVBAGLBSA-N -1 3 364.807 0.295 10 0 FCAEHM CCOC(=O)[C@H](CCOC(C)(C)C)NC(=O)c1cn(C)c(=O)[n-]c1=O ZINC000540656781 490832179 /nfs/dbraw/zinc/83/21/79/490832179.db2.gz BUKMWWOKLRIDAR-NSHDSACASA-N -1 3 355.391 0.353 10 0 FCAEHM COCCN(C(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)[C@@H]1CCOC1 ZINC000515580777 490832787 /nfs/dbraw/zinc/83/27/87/490832787.db2.gz VUWGUCFRKZBIQG-RDTXWAMCSA-N -1 3 361.398 0.619 10 0 FCAEHM COC(=O)CC1(NC(=O)CC[N-]S(=O)(=O)c2ccccc2F)CC1 ZINC000515858525 490842011 /nfs/dbraw/zinc/84/20/11/490842011.db2.gz UDIILXZXNHXXTK-UHFFFAOYSA-N -1 3 358.391 0.706 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)N1CCOCC2(CC2)C1 ZINC000541150958 490853111 /nfs/dbraw/zinc/85/31/11/490853111.db2.gz XHWTVEJVDMIJBH-UHFFFAOYSA-N -1 3 359.473 0.848 10 0 FCAEHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-][C@@H](CO)c1ccnn1C ZINC000516315539 490860738 /nfs/dbraw/zinc/86/07/38/490860738.db2.gz NNWVOOXYYCYIAA-JTQLQIEISA-N -1 3 373.818 0.872 10 0 FCAEHM CC(C)[C@H]1CN(Cc2ccccc2)CCN1C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000529702998 490865594 /nfs/dbraw/zinc/86/55/94/490865594.db2.gz RVCDIKMAXZCMRL-JKSUJKDBSA-N -1 3 358.442 0.954 10 0 FCAEHM CC1(C)OC[C@@H]2C[C@@]21NC(=O)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000529786476 490877274 /nfs/dbraw/zinc/87/72/74/490877274.db2.gz SALRELUOMMETFZ-JEOXALJRSA-N -1 3 355.394 0.942 10 0 FCAEHM CCC(C)(C)OC1CN(C(=O)CC[N-]S(=O)(=O)c2cn(C)c(C)n2)C1 ZINC000529811215 490877994 /nfs/dbraw/zinc/87/79/94/490877994.db2.gz WZNRVGUZJZWMMV-UHFFFAOYSA-N -1 3 372.491 0.813 10 0 FCAEHM Cn1nccc1[C@@H](CO)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)CCO2 ZINC000572257629 491359159 /nfs/dbraw/zinc/35/91/59/491359159.db2.gz XGJXQDZFWKMWLC-GFCCVEGCSA-N -1 3 351.384 0.397 10 0 FCAEHM CCOc1cccc(CS(=O)(=O)c2n[n-]c(=O)n2C[C@H]2CCCO2)n1 ZINC000542188926 490888721 /nfs/dbraw/zinc/88/87/21/490888721.db2.gz ZAFDCZINNBRJCB-GFCCVEGCSA-N -1 3 368.415 0.930 10 0 FCAEHM C[C@@H]1CCN(C(=O)C(=O)NCc2cccc(CN(C)C)c2)C[C@H]1C(=O)[O-] ZINC000517236486 490900658 /nfs/dbraw/zinc/90/06/58/490900658.db2.gz XZTOBKJXNFNEOE-CZUORRHYSA-N -1 3 361.442 0.934 10 0 FCAEHM Cn1ccnc1CN1CCC[C@H]([N-]S(=O)(=O)C[C@@H]2CCCO2)C1=O ZINC000517257470 490902086 /nfs/dbraw/zinc/90/20/86/490902086.db2.gz QNLWJLWEDZTWFY-STQMWFEESA-N -1 3 356.448 0.010 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1cccc(I)c1 ZINC000517645012 490915552 /nfs/dbraw/zinc/91/55/52/490915552.db2.gz WIWPJTXOHQAXNP-UHFFFAOYSA-N -1 3 359.123 0.782 10 0 FCAEHM Cn1cc(C(C)(C)C(=O)NCC[N-]S(=O)(=O)c2cccs2)cn1 ZINC000543154165 490923102 /nfs/dbraw/zinc/92/31/02/490923102.db2.gz VJIMDVSNCIARQO-UHFFFAOYSA-N -1 3 356.473 0.854 10 0 FCAEHM CCc1nc(C[N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cs1 ZINC000518086907 490930147 /nfs/dbraw/zinc/93/01/47/490930147.db2.gz HHRHYSCHJVKNEG-UHFFFAOYSA-N -1 3 361.470 0.831 10 0 FCAEHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC[C@H](O)C(F)(F)F)cc1 ZINC000543632547 490939508 /nfs/dbraw/zinc/93/95/08/490939508.db2.gz UIMTYXGKSGCVMD-JTQLQIEISA-N -1 3 361.363 0.682 10 0 FCAEHM CCNC(=O)N1CC[C@H]([N-]S(=O)(=O)c2cc(F)cc(C(=O)OC)c2)C1 ZINC000543905615 490951128 /nfs/dbraw/zinc/95/11/28/490951128.db2.gz WARJARLMHKNFQI-LBPRGKRZSA-N -1 3 373.406 0.694 10 0 FCAEHM Cn1ccnc1CN1CCC[C@H]([N-]S(=O)(=O)C[C@H]2CCCCO2)C1=O ZINC000543978892 490953822 /nfs/dbraw/zinc/95/38/22/490953822.db2.gz DMFPLVSLKZHDPM-KGLIPLIRSA-N -1 3 370.475 0.400 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC[C@]3(CCCOC3)C2)c1 ZINC000531524489 490962236 /nfs/dbraw/zinc/96/22/36/490962236.db2.gz YGEUMFDGHNUYRZ-HNNXBMFYSA-N -1 3 356.448 0.118 10 0 FCAEHM C[C@]1(c2ccc(CNC(=O)NCC[C@H]3CCOC3)cc2)NC(=O)[N-]C1=O ZINC000544249359 490962721 /nfs/dbraw/zinc/96/27/21/490962721.db2.gz IFFNSQHFEJKARL-SCLBCKFNSA-N -1 3 360.414 0.967 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC000531574603 490965191 /nfs/dbraw/zinc/96/51/91/490965191.db2.gz OKMIINLFFQQNQO-UHFFFAOYSA-N -1 3 364.789 0.063 10 0 FCAEHM CCn1cnnc1C[N-]S(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000531655152 490969705 /nfs/dbraw/zinc/96/97/05/490969705.db2.gz CXPMPOYRWQIUDU-UHFFFAOYSA-N -1 3 356.429 0.106 10 0 FCAEHM C[C@@]1(c2ccc(NC(=O)CNC(=O)c3cccnc3)cc2)NC(=O)[N-]C1=O ZINC000531940095 490981300 /nfs/dbraw/zinc/98/13/00/490981300.db2.gz ZWAJLBNIZAPKOZ-SFHVURJKSA-N -1 3 367.365 0.505 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)NCCc1nnc2n1CCC2 ZINC000572411744 491368825 /nfs/dbraw/zinc/36/88/25/491368825.db2.gz BESYXWOSGONWGY-UHFFFAOYSA-N -1 3 367.406 0.001 10 0 FCAEHM COc1ncc(C(=O)N(CCN(C)C)CC(=O)[O-])cc1Br ZINC000565357746 491371799 /nfs/dbraw/zinc/37/17/99/491371799.db2.gz VCOWIUTXCWGWCK-UHFFFAOYSA-N -1 3 360.208 0.941 10 0 FCAEHM Cn1cc([C@H](CO)[N-]S(=O)(=O)c2ccc3c(c2)OC(F)(F)O3)cn1 ZINC000572479299 491373096 /nfs/dbraw/zinc/37/30/96/491373096.db2.gz QINBEFSLHSXFNK-JTQLQIEISA-N -1 3 361.326 0.754 10 0 FCAEHM CS(=O)(=O)CC[C@H]1CCCCN1C(=O)CNC(=O)c1cccc([O-])c1 ZINC000557423399 491374168 /nfs/dbraw/zinc/37/41/68/491374168.db2.gz VRRGBXGTJFYEPT-CQSZACIVSA-N -1 3 368.455 0.938 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@H](CO)c1cccnc1 ZINC000557863287 491401963 /nfs/dbraw/zinc/40/19/63/491401963.db2.gz JZNVVTUDZAXZSD-CYBMUJFWSA-N -1 3 370.452 0.540 10 0 FCAEHM CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000566235638 491428542 /nfs/dbraw/zinc/42/85/42/491428542.db2.gz ZVIPAQWLJUXIMY-BBWFWOEESA-N -1 3 373.453 0.866 10 0 FCAEHM C[C@H]1CN(C(=O)NCc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)CC(=O)N1C ZINC000558651061 491440199 /nfs/dbraw/zinc/44/01/99/491440199.db2.gz LYWDRTOOMGTMGE-VOJFVSQTSA-N -1 3 373.413 0.113 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cc(=O)[n-]c(N(C)C)n2)CC[C@H]1N1CCN(C)CC1 ZINC000558985017 491450642 /nfs/dbraw/zinc/45/06/42/491450642.db2.gz MRVHECYMUJFOOB-UKRRQHHQSA-N -1 3 362.478 0.346 10 0 FCAEHM C[C@@H](C(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1)n1nnc(-c2ccccc2)n1 ZINC000559252770 491458079 /nfs/dbraw/zinc/45/80/79/491458079.db2.gz MBAUMOLXDPEFHU-WCQYABFASA-N -1 3 367.417 0.806 10 0 FCAEHM COc1ccc(C(=O)N2CCC[C@H]2c2nc(=N)n(C)[n-]2)cc1-n1cnnn1 ZINC000559258378 491458860 /nfs/dbraw/zinc/45/88/60/491458860.db2.gz SMRFNPCAMBIMNM-NSHDSACASA-N -1 3 369.389 0.189 10 0 FCAEHM COCC[C@@H](COC)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000574083503 491473703 /nfs/dbraw/zinc/47/37/03/491473703.db2.gz CSYRXGAQMAJUAD-JTQLQIEISA-N -1 3 369.436 0.559 10 0 FCAEHM CCN(CC)CCS(=O)(=O)[N-][C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000574242401 491483541 /nfs/dbraw/zinc/48/35/41/491483541.db2.gz GEPGMRVEOAXFGR-CYBMUJFWSA-N -1 3 357.480 0.095 10 0 FCAEHM Cc1cc(CS(=O)(=O)[N-]CC(=O)N(C)CCc2ccccn2)no1 ZINC000560029120 491516522 /nfs/dbraw/zinc/51/65/22/491516522.db2.gz QOQSASGOVWYHQN-UHFFFAOYSA-N -1 3 352.416 0.499 10 0 FCAEHM CO[C@H](CS(=O)(=O)N1CCC[C@H]1C[C@@]1(C)NC(=O)[N-]C1=O)C1CC1 ZINC000574752605 491518106 /nfs/dbraw/zinc/51/81/06/491518106.db2.gz LYVHIALWEHJYOD-YWPYICTPSA-N -1 3 359.448 0.194 10 0 FCAEHM CCCCCNC(=O)Cn1cc(I)c(=O)[n-]c1=O ZINC000567753686 491527243 /nfs/dbraw/zinc/52/72/43/491527243.db2.gz CXCCWOPZSNLQTE-UHFFFAOYSA-N -1 3 365.171 0.860 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)CN2C(=O)NC(C)(C)C2=O)ccc1F ZINC000560719650 491553204 /nfs/dbraw/zinc/55/32/04/491553204.db2.gz JYAHLMJTOCQSIP-UHFFFAOYSA-N -1 3 372.378 0.003 10 0 FCAEHM Cc1ccc(S(N)(=O)=O)c(C(=O)N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)c1 ZINC000575885690 491567786 /nfs/dbraw/zinc/56/77/86/491567786.db2.gz ZFOCAHAFQSQCJS-LLVKDONJSA-N -1 3 364.431 0.161 10 0 FCAEHM CCOC(=O)c1cn[n-]c1S(=O)(=O)N1Cc2ccccc2NC(=O)C1 ZINC000568411696 491575817 /nfs/dbraw/zinc/57/58/17/491575817.db2.gz YWOWOHNHHKQKSN-UHFFFAOYSA-N -1 3 364.383 0.729 10 0 FCAEHM CCOC(=O)c1c[n-]nc1S(=O)(=O)N1Cc2ccccc2NC(=O)C1 ZINC000568411696 491575820 /nfs/dbraw/zinc/57/58/20/491575820.db2.gz YWOWOHNHHKQKSN-UHFFFAOYSA-N -1 3 364.383 0.729 10 0 FCAEHM C[C@H]1CCN(CC(=O)NCCCN2CCCCCC2=O)C[C@H]1C(=O)[O-] ZINC000576107481 491581815 /nfs/dbraw/zinc/58/18/15/491581815.db2.gz QORLCLDFRCYBIL-LSDHHAIUSA-N -1 3 353.463 0.938 10 0 FCAEHM Cc1nn2cc(S(=O)(=O)[N-][C@@H](CO)c3ccnn3C)cnc2c1Cl ZINC000584421785 491590014 /nfs/dbraw/zinc/59/00/14/491590014.db2.gz DIBBLPQITDKDCJ-JTQLQIEISA-N -1 3 370.822 0.437 10 0 FCAEHM NC(=O)C[C@H]1CCCCN1C(=O)C[N-]S(=O)(=O)c1ccccc1F ZINC000568820264 491611764 /nfs/dbraw/zinc/61/17/64/491611764.db2.gz PHCRBXYZYKOGNN-LLVKDONJSA-N -1 3 357.407 0.361 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)[C@@H](O)Cc2cnn(C)c2)ccc1F ZINC000568911674 491619061 /nfs/dbraw/zinc/61/90/61/491619061.db2.gz JRVSPEVHXTZUSG-LBPRGKRZSA-N -1 3 356.379 0.009 10 0 FCAEHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]CC3(OCCO)CCOCC3)cn21 ZINC000569139825 491637466 /nfs/dbraw/zinc/63/74/66/491637466.db2.gz WUVOSWLMZJRWCG-CYBMUJFWSA-N -1 3 373.475 0.617 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)nc1=N ZINC000561947280 491641382 /nfs/dbraw/zinc/64/13/82/491641382.db2.gz SKQIWBDIFUMQON-HOTGVXAUSA-N -1 3 370.457 0.792 10 0 FCAEHM C[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2ccccc2F)[C@@H](C)CN1CCO ZINC000576946892 491659029 /nfs/dbraw/zinc/65/90/29/491659029.db2.gz YINHJHBRGQGHJN-OLZOCXBDSA-N -1 3 373.450 0.018 10 0 FCAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CCCN1CCCC1=O ZINC000579216542 491693200 /nfs/dbraw/zinc/69/32/00/491693200.db2.gz BQHYEXSLIHRZJL-JTQLQIEISA-N -1 3 374.381 0.802 10 0 FCAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@@H](CO)c1ccnn1C ZINC000579259137 491694285 /nfs/dbraw/zinc/69/42/85/491694285.db2.gz LNMAMMYPNXVOAA-WPRPVWTQSA-N -1 3 373.353 0.257 10 0 FCAEHM CC1(C)[C@H](O)CCN1S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1CC1 ZINC000579779306 491705223 /nfs/dbraw/zinc/70/52/23/491705223.db2.gz ZUWOWLNUTJGZQR-CQSZACIVSA-N -1 3 374.484 0.661 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N[C@@H]3CC4CCC3CC4)cnc21 ZINC000584696006 491710598 /nfs/dbraw/zinc/71/05/98/491710598.db2.gz JGNHJIFBYDGRSE-SRHKJQAYSA-N -1 3 364.427 0.891 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)N1CC[C@H](n2ccnn2)C1 ZINC000585321032 491721643 /nfs/dbraw/zinc/72/16/43/491721643.db2.gz CQVCLQBQDKQFGH-LBPRGKRZSA-N -1 3 367.406 0.559 10 0 FCAEHM O=C(CS(=O)(=O)c1nnc([N-]c2ccccc2)s1)N1CCOCC1 ZINC000580694234 491741826 /nfs/dbraw/zinc/74/18/26/491741826.db2.gz JEOICQQJJZGLRV-UHFFFAOYSA-N -1 3 368.440 0.914 10 0 FCAEHM NS(=O)(=O)c1ccc(CNC(=O)CNC(=O)c2ccc([O-])cc2)cc1 ZINC000589682359 491764801 /nfs/dbraw/zinc/76/48/01/491764801.db2.gz WTNGXRMEIWETIA-UHFFFAOYSA-N -1 3 363.395 0.086 10 0 FCAEHM COCCOc1ncccc1NC(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000590275810 491771798 /nfs/dbraw/zinc/77/17/98/491771798.db2.gz KCKXHKYJHFARHK-UHFFFAOYSA-N -1 3 371.353 0.707 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C[C@@H]1CCCS1(=O)=O ZINC000581971053 491792597 /nfs/dbraw/zinc/79/25/97/491792597.db2.gz GCZKNMCQIQGZCV-JTQLQIEISA-N -1 3 365.429 0.539 10 0 FCAEHM CSC[C@@H](CCO)[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000592033651 491828353 /nfs/dbraw/zinc/82/83/53/491828353.db2.gz GSSZMSJJGUQYQF-SNVBAGLBSA-N -1 3 350.462 0.682 10 0 FCAEHM Cc1cccn(Cc2c(F)cccc2NC(=O)CN2CC(=O)[N-]C2=O)c1=O ZINC000582380394 491810234 /nfs/dbraw/zinc/81/02/34/491810234.db2.gz YQDOJLXPOREUNQ-UHFFFAOYSA-N -1 3 372.356 0.834 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-]CC(C)(C)[C@]2(O)CCOC2)oc1C ZINC000592087700 491831246 /nfs/dbraw/zinc/83/12/46/491831246.db2.gz RZLZMGOXCLVCRB-HNNXBMFYSA-N -1 3 361.416 0.831 10 0 FCAEHM CC[C@@H](C(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1)N1CCO[C@H](CC)C1 ZINC000582909207 491831793 /nfs/dbraw/zinc/83/17/93/491831793.db2.gz IMWIOTIHDRTQRK-HZSPNIEDSA-N -1 3 350.467 0.781 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CN(C)C(=O)[C@@H]1C ZINC000592318282 491836244 /nfs/dbraw/zinc/83/62/44/491836244.db2.gz XORZPVAMOJZKOQ-VIFPVBQESA-N -1 3 353.400 0.818 10 0 FCAEHM COC(=O)c1ncccc1S(=O)(=O)[N-]C[C@H](CO)c1cccnc1 ZINC000583391894 491844045 /nfs/dbraw/zinc/84/40/45/491844045.db2.gz LJBWZTUAYCLLAG-GFCCVEGCSA-N -1 3 351.384 0.318 10 0 FCAEHM O=C(N[C@H]1CCN(C2CCOCC2)C1=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000673848185 493366447 /nfs/dbraw/zinc/36/64/47/493366447.db2.gz QWSFDQHMVOZOKU-AWEZNQCLSA-N -1 3 357.366 0.080 10 0 FCAEHM COC(=O)[C@@]1([N-]S(=O)(=O)C2CCS(=O)(=O)CC2)CC[C@@H](C)CC1 ZINC000594835598 491864061 /nfs/dbraw/zinc/86/40/61/491864061.db2.gz GXBNOUDIQANXAI-YEORSEQZSA-N -1 3 367.489 0.605 10 0 FCAEHM COC(=O)C(C)(C)n1cc(NC(=O)C(=O)NCc2ncccc2[O-])cn1 ZINC000595019071 491878253 /nfs/dbraw/zinc/87/82/53/491878253.db2.gz HIMJCTHWFPYJNK-UHFFFAOYSA-N -1 3 361.358 0.147 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NCc1cccc(NC(=O)c2ccccn2)c1 ZINC000600963325 491890327 /nfs/dbraw/zinc/89/03/27/491890327.db2.gz VUKPMHDATXWVAF-UHFFFAOYSA-N -1 3 367.365 0.502 10 0 FCAEHM O=C(CN1CCN(C2CC2)C1=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000612136125 491899941 /nfs/dbraw/zinc/89/99/41/491899941.db2.gz JBQIDKLDRODPJE-UHFFFAOYSA-N -1 3 372.425 0.577 10 0 FCAEHM COC(=O)[C@H](CC(F)F)[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000601381597 491910965 /nfs/dbraw/zinc/91/09/65/491910965.db2.gz CUEBBSYQUSMDJM-LURJTMIESA-N -1 3 365.280 0.914 10 0 FCAEHM COC(=O)C[C@](C)([N-]S(=O)(=O)C[C@@H]1CN(C)CCO1)c1ccccn1 ZINC000601395290 491912559 /nfs/dbraw/zinc/91/25/59/491912559.db2.gz BIPPNNNHWBPRQN-BBRMVZONSA-N -1 3 371.459 0.110 10 0 FCAEHM COC(=O)[C@H](Cc1ccncc1)[N-]S(=O)(=O)CCC[C@@H]1CCOC1 ZINC000601420764 491916842 /nfs/dbraw/zinc/91/68/42/491916842.db2.gz WQAIIYLCPLXTPC-CABCVRRESA-N -1 3 356.444 0.902 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-]Cc2nn(C)cc2Br)CC1 ZINC000601430154 491918585 /nfs/dbraw/zinc/91/85/85/491918585.db2.gz QFGBVNRDXIVXAG-UHFFFAOYSA-N -1 3 366.237 0.555 10 0 FCAEHM CN(C)CCCS(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)c1ccnn1C ZINC000601452179 491921424 /nfs/dbraw/zinc/92/14/24/491921424.db2.gz GBUFMYYFGIYMIQ-ZDUSSCGKSA-N -1 3 360.480 0.674 10 0 FCAEHM CCOC(=O)[C@]1(C[N-]S(=O)(=O)c2cn(CC)c(C)n2)CCCOC1 ZINC000601520039 491931183 /nfs/dbraw/zinc/93/11/83/491931183.db2.gz ZLSCMJRXNDIDCZ-HNNXBMFYSA-N -1 3 359.448 0.850 10 0 FCAEHM COC(=O)CCN1CCC[C@@H](N2CCC[C@H](c3n[n-]c(=O)o3)C2)C1=O ZINC000595472923 491934689 /nfs/dbraw/zinc/93/46/89/491934689.db2.gz IRYARZYSWBKMAH-NWDGAFQWSA-N -1 3 352.391 0.509 10 0 FCAEHM O=C(C1CCC1)N1CCN(CC[N-]S(=O)(=O)c2cncc(F)c2)CC1 ZINC000602897433 492003951 /nfs/dbraw/zinc/00/39/51/492003951.db2.gz QHSQOSSRIDORDK-UHFFFAOYSA-N -1 3 370.450 0.443 10 0 FCAEHM C[C@H](CCNC(=O)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1)[S@](C)=O ZINC000614196547 492018921 /nfs/dbraw/zinc/01/89/21/492018921.db2.gz IVFWSYFSEHRSRY-NWLZYJAVSA-N -1 3 366.443 0.716 10 0 FCAEHM Cn1ccc(Nc2ccc(C(=O)N3CCC[C@@]4(C3)NC(=O)[N-]C4=O)cc2)n1 ZINC000614199330 492019327 /nfs/dbraw/zinc/01/93/27/492019327.db2.gz RVHHDBBVAPBNLA-SFHVURJKSA-N -1 3 368.397 0.978 10 0 FCAEHM COC(=O)c1cccc2nc(NC(=O)[C@H]3CCN=C4C3=NNN4C)[n-]c21 ZINC000597418502 492037318 /nfs/dbraw/zinc/03/73/18/492037318.db2.gz QUPYBCNZMWPDSW-QMMMGPOBSA-N -1 3 355.358 0.512 10 0 FCAEHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H]3CCN=C4C3=NNN4C)nc21 ZINC000597418502 492037320 /nfs/dbraw/zinc/03/73/20/492037320.db2.gz QUPYBCNZMWPDSW-QMMMGPOBSA-N -1 3 355.358 0.512 10 0 FCAEHM CN1C[C@@H](C(=O)Nc2cc(I)ccc2[O-])NC1=O ZINC000597442345 492038672 /nfs/dbraw/zinc/03/86/72/492038672.db2.gz WGUVTNOUIXOZRN-QMMMGPOBSA-N -1 3 361.139 0.959 10 0 FCAEHM COC(=O)CCS(=O)(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000603977208 492048228 /nfs/dbraw/zinc/04/82/28/492048228.db2.gz XQPIKYCEHGNNLU-AWEZNQCLSA-N -1 3 355.372 0.046 10 0 FCAEHM COC(=O)c1cc(C[N-]S(=O)(=O)c2cccc(C(N)=O)c2)oc1C ZINC000604028358 492049283 /nfs/dbraw/zinc/04/92/83/492049283.db2.gz XLLLRYZEVXZCAP-UHFFFAOYSA-N -1 3 352.368 0.952 10 0 FCAEHM COC(=O)c1cc(C(=O)N2CCC[C@@H]2C[C@@]2(C)NC(=O)[N-]C2=O)c(C)o1 ZINC000597650654 492056269 /nfs/dbraw/zinc/05/62/69/492056269.db2.gz ZGDJSUWHHZCQQN-BMLIUANNSA-N -1 3 363.370 0.967 10 0 FCAEHM CO[C@H](C(=O)N[C@H](C)[C@H](C)C(=O)Nc1ncccc1[O-])[C@@H]1CCOC1 ZINC000614821080 492057917 /nfs/dbraw/zinc/05/79/17/492057917.db2.gz FDXAMZITMKMENM-SFTQSGBHSA-N -1 3 351.403 0.918 10 0 FCAEHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)[C@H](O)Cc1cnn(C)c1 ZINC000614827724 492058202 /nfs/dbraw/zinc/05/82/02/492058202.db2.gz RVCOEIYVTGSSMX-UHIISALHSA-N -1 3 361.402 0.204 10 0 FCAEHM C[C@@H]1CCN(C(=O)CC[C@@H]2NC(=O)[N-]C2=O)C[C@@H]1C(=O)OC(C)(C)C ZINC000597802197 492067586 /nfs/dbraw/zinc/06/75/86/492067586.db2.gz FWPRNUNGXIAJPD-WOPDTQHZSA-N -1 3 353.419 0.801 10 0 FCAEHM COc1ccc([C@@H]2[C@H](C(=O)[N-]c3nnc4[nH]cnn34)CC(=O)N2C)cc1 ZINC000614990910 492067989 /nfs/dbraw/zinc/06/79/89/492067989.db2.gz JFINAUIIIPRQDM-DGCLKSJQSA-N -1 3 355.358 0.619 10 0 FCAEHM CN1CC[C@H](C(=O)Nc2nnc(-c3ccc4ccccc4n3)[n-]2)S1(=O)=O ZINC000615124198 492074859 /nfs/dbraw/zinc/07/48/59/492074859.db2.gz UBNQLCABVIUZIP-CYBMUJFWSA-N -1 3 372.410 0.992 10 0 FCAEHM CN1CC[C@H](C(=O)Nc2nc(-c3ccc4ccccc4n3)n[n-]2)S1(=O)=O ZINC000615124198 492074861 /nfs/dbraw/zinc/07/48/61/492074861.db2.gz UBNQLCABVIUZIP-CYBMUJFWSA-N -1 3 372.410 0.992 10 0 FCAEHM CN1CC[C@H](C(=O)Nc2n[n-]c(-c3ccc4ccccc4n3)n2)S1(=O)=O ZINC000615124198 492074863 /nfs/dbraw/zinc/07/48/63/492074863.db2.gz UBNQLCABVIUZIP-CYBMUJFWSA-N -1 3 372.410 0.992 10 0 FCAEHM COC(=O)C12CC(C1)CN2C(=O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000598051791 492081875 /nfs/dbraw/zinc/08/18/75/492081875.db2.gz PQPZVTGZEKRKAO-UHFFFAOYSA-N -1 3 370.402 0.658 10 0 FCAEHM COC(=O)C12CC(C1)CN2C(=O)C[N-]S(=O)(=O)c1ccccc1F ZINC000598057838 492082435 /nfs/dbraw/zinc/08/24/35/492082435.db2.gz SLOVQVUAGZLDAT-UHFFFAOYSA-N -1 3 356.375 0.268 10 0 FCAEHM CN1CCC[C@H]1[C@H]1COCCN1C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000615266249 492082650 /nfs/dbraw/zinc/08/26/50/492082650.db2.gz RZYLELLBSQYYGC-QWHCGFSZSA-N -1 3 359.386 0.371 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccoc2C(=O)OC)c(C)o1 ZINC000598239188 492090049 /nfs/dbraw/zinc/09/00/49/492090049.db2.gz HFNQFEBYDDCAGE-UHFFFAOYSA-N -1 3 356.356 0.806 10 0 FCAEHM COC(=O)[C@@](C)(CCF)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000598275527 492092377 /nfs/dbraw/zinc/09/23/77/492092377.db2.gz MVSSEIXNAIAUGL-NOZJJQNGSA-N -1 3 366.436 0.822 10 0 FCAEHM COC(=O)[C@](C)(CCF)NC(=O)C[N-]S(=O)(=O)c1ccccc1F ZINC000598278568 492092406 /nfs/dbraw/zinc/09/24/06/492092406.db2.gz HPTIVXUZCQXMQA-AWEZNQCLSA-N -1 3 364.370 0.512 10 0 FCAEHM COC(=O)[C@H]1C[C@@H](N(C)C(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)C1 ZINC000598432022 492098154 /nfs/dbraw/zinc/09/81/54/492098154.db2.gz CKLFPWLRBCSNOH-SRBZOADZSA-N -1 3 359.382 0.765 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)c2cccc(OCC(F)F)n2)[n-]1 ZINC000615918510 492107238 /nfs/dbraw/zinc/10/72/38/492107238.db2.gz UGZLNCXHQUBWCO-UHFFFAOYSA-N -1 3 355.301 0.950 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)c2cc(OC)c3c(c2)OCCO3)[n-]1 ZINC000615916576 492107412 /nfs/dbraw/zinc/10/74/12/492107412.db2.gz DOXNBGYCGAJSKH-UHFFFAOYSA-N -1 3 362.342 0.691 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)c2ccc(S(=O)(=O)CC)cc2)[n-]1 ZINC000615920260 492108141 /nfs/dbraw/zinc/10/81/41/492108141.db2.gz UAZPTFMNGMYPEZ-UHFFFAOYSA-N -1 3 366.399 0.705 10 0 FCAEHM COC(=O)[C@@H](C)CS(=O)(=O)[N-][C@H]1CS(=O)(=O)Cc2ccccc21 ZINC000598624549 492109756 /nfs/dbraw/zinc/10/97/56/492109756.db2.gz IXBJVJVQKDUXTG-GWCFXTLKSA-N -1 3 361.441 0.385 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)[C@@H]2CSCN2C(=O)[C@H](C)CC)[n-]1 ZINC000616030167 492114839 /nfs/dbraw/zinc/11/48/39/492114839.db2.gz VXHWWWQNELPDSA-ZJUUUORDSA-N -1 3 369.447 0.545 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N[C@@H]1CCNC(=O)CC1 ZINC000616359859 492127478 /nfs/dbraw/zinc/12/74/78/492127478.db2.gz HXBNQHKQBHHEMK-QMMMGPOBSA-N -1 3 365.864 0.465 10 0 FCAEHM CC(C)[C@@H]([N-]S(=O)(=O)CCCS(C)(=O)=O)c1nc(C2CC2)no1 ZINC000607159295 492139495 /nfs/dbraw/zinc/13/94/95/492139495.db2.gz MUJNYFAAEKQWGX-LLVKDONJSA-N -1 3 365.477 0.998 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@H]2CCN(C(C)C)C2=O)on1 ZINC000599239643 492147236 /nfs/dbraw/zinc/14/72/36/492147236.db2.gz ZSZOSNQIZLKKGG-NSHDSACASA-N -1 3 359.404 0.280 10 0 FCAEHM CCn1c(=O)[n-]c(=O)c2c(C(=O)N[C@H]3CCNC3=O)cc(C3CC3)nc21 ZINC000616967407 492150338 /nfs/dbraw/zinc/15/03/38/492150338.db2.gz BMPFAQPURKAQQZ-JTQLQIEISA-N -1 3 357.370 0.013 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]CCOc2ncccc2F)on1 ZINC000599262318 492150667 /nfs/dbraw/zinc/15/06/67/492150667.db2.gz CWBYNNLJNXVKKX-UHFFFAOYSA-N -1 3 373.362 0.884 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)NC[C@@H](C)c2ccccn2)cn1C ZINC000617078675 492154669 /nfs/dbraw/zinc/15/46/69/492154669.db2.gz GMYVYQAJVURRTD-GFCCVEGCSA-N -1 3 365.459 0.712 10 0 FCAEHM CO[C@H](CNC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)[C@@H]1CCOC1 ZINC000617142660 492156320 /nfs/dbraw/zinc/15/63/20/492156320.db2.gz HWLNLMFIPVMJIU-BXUZGUMPSA-N -1 3 360.407 0.979 10 0 FCAEHM CO[C@H](CNC(=O)C[N-]S(=O)(=O)c1ccccc1F)[C@@H]1CCOC1 ZINC000617153030 492157799 /nfs/dbraw/zinc/15/77/99/492157799.db2.gz OZNPRDFXYXQROI-DGCLKSJQSA-N -1 3 360.407 0.272 10 0 FCAEHM CCCN1C[C@@H](C[N-]S(=O)(=O)Cc2cc(C(=O)OCC)no2)CC1=O ZINC000599325340 492160306 /nfs/dbraw/zinc/16/03/06/492160306.db2.gz DNAUEKWFMAOMPW-LLVKDONJSA-N -1 3 373.431 0.529 10 0 FCAEHM COC(=O)[C@H]1OCC[C@H]1[N-]S(=O)(=O)C[C@H](OC)c1ccc(F)cc1 ZINC000599350758 492163305 /nfs/dbraw/zinc/16/33/05/492163305.db2.gz AKCRDHBPCRQISL-RDBSUJKOSA-N -1 3 361.391 0.763 10 0 FCAEHM Cn1c(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)nnc1C1CC1 ZINC000617291711 492163379 /nfs/dbraw/zinc/16/33/79/492163379.db2.gz TWCJWXQXXIYSGN-UHFFFAOYSA-N -1 3 369.179 0.356 10 0 FCAEHM C[C@@H]1C[C@H](NC(=O)CC[N-]S(=O)(=O)c2ccccc2F)c2ncnn21 ZINC000617427939 492168075 /nfs/dbraw/zinc/16/80/75/492168075.db2.gz NKNQBJXIVKVKRA-PWSUYJOCSA-N -1 3 367.406 0.908 10 0 FCAEHM C[C@@H]1C[C@H](NC(=O)c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)c2ncnn21 ZINC000617440031 492168565 /nfs/dbraw/zinc/16/85/65/492168565.db2.gz MCXIIOPNOXJNQF-CIBPLQMKSA-N -1 3 354.370 0.769 10 0 FCAEHM COC(=O)[C@@H](C[C@H]1CCCOC1)[N-]S(=O)(=O)N1CCC(OC)CC1 ZINC000599455417 492174803 /nfs/dbraw/zinc/17/48/03/492174803.db2.gz CQAXRRGLXFGCDH-TZMCWYRMSA-N -1 3 364.464 0.290 10 0 FCAEHM COC(=O)CCCS(=O)(=O)[N-][C@H](C[C@@H]1CCCOC1)C(=O)OC ZINC000599460373 492175905 /nfs/dbraw/zinc/17/59/05/492175905.db2.gz MBLPNGBGVHYKKG-NWDGAFQWSA-N -1 3 351.421 0.217 10 0 FCAEHM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-][C@@H]1CCO[C@@H]1c1nc(C)no1 ZINC000599518755 492182999 /nfs/dbraw/zinc/18/29/99/492182999.db2.gz LCXLZPITCVBDIG-UTUOFQBUSA-N -1 3 374.419 0.070 10 0 FCAEHM CN(CC1CN(C)C1)C(=O)c1cccc(C(=O)N(C)CC2CN(C)C2)c1[O-] ZINC000618190199 492214747 /nfs/dbraw/zinc/21/47/47/492214747.db2.gz KQVUZGOGROTRES-UHFFFAOYSA-N -1 3 374.485 0.659 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CCC[C@H](CCF)C2)cn1C ZINC000618689103 492235947 /nfs/dbraw/zinc/23/59/47/492235947.db2.gz IQWKLAKBDIFCGW-CYBMUJFWSA-N -1 3 360.455 0.995 10 0 FCAEHM C[C@]12COC[C@@H]1CN(C(=O)Cn1cc(Br)c(=O)[n-]c1=O)C2 ZINC000618727583 492236669 /nfs/dbraw/zinc/23/66/69/492236669.db2.gz XVZMACOUSJFWLY-SDBXPKJASA-N -1 3 358.192 0.206 10 0 FCAEHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N(C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000600075158 492241945 /nfs/dbraw/zinc/24/19/45/492241945.db2.gz PJVCFSVAFMWJPY-DTORHVGOSA-N -1 3 353.400 0.586 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)N[C@H]1C[C@H](O)C12CCC2 ZINC000619092802 492249920 /nfs/dbraw/zinc/24/99/20/492249920.db2.gz FISYMFTUBHVPDC-KBPBESRZSA-N -1 3 356.419 0.914 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2c(C(=O)N[C@H]3C[C@H](O)C34CCC4)cc(C3CC3)nc21 ZINC000619089305 492250171 /nfs/dbraw/zinc/25/01/71/492250171.db2.gz LYRMHXCGBLULRI-STQMWFEESA-N -1 3 370.409 0.945 10 0 FCAEHM Cc1cncc(CCNC(=O)c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)n1 ZINC000619206568 492252870 /nfs/dbraw/zinc/25/28/70/492252870.db2.gz VMPQZSQGZVCFTD-GOSISDBHSA-N -1 3 353.382 0.812 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)Nc1cccc(C(=O)OC)c1C ZINC000610707431 492259331 /nfs/dbraw/zinc/25/93/31/492259331.db2.gz UGTXWRZGFZLWDZ-UHFFFAOYSA-N -1 3 358.416 0.676 10 0 FCAEHM COC(=O)[C@@H](C[C@H]1CCCOC1)NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000600438978 492270089 /nfs/dbraw/zinc/27/00/89/492270089.db2.gz UCIXVWBTCJUKQH-QMTHXVAHSA-N -1 3 360.366 0.658 10 0 FCAEHM C[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)C[C@H]1C(=O)[O-] ZINC000647501293 492298573 /nfs/dbraw/zinc/29/85/73/492298573.db2.gz RWAUNPYFRLZBPY-DZGCQCFKSA-N -1 3 360.414 0.299 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)NC[C@H]2CCOC2(C)C)cn1C ZINC000620511900 492316629 /nfs/dbraw/zinc/31/66/29/492316629.db2.gz GRJUPNMJYLATKG-GFCCVEGCSA-N -1 3 358.464 0.328 10 0 FCAEHM CO[C@H]1CN(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)[C@@](C)(CO)C1 ZINC000634067097 492318817 /nfs/dbraw/zinc/31/88/17/492318817.db2.gz MGAJPJHWRPAWGJ-IAQYHMDHSA-N -1 3 360.407 0.809 10 0 FCAEHM CO[C@@H]1CN(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)[C@@](C)(CO)C1 ZINC000634067099 492318862 /nfs/dbraw/zinc/31/88/62/492318862.db2.gz MGAJPJHWRPAWGJ-XHDPSFHLSA-N -1 3 360.407 0.809 10 0 FCAEHM CN(C(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)[C@H]1CCCCN(C)C1=O ZINC000634139622 492320974 /nfs/dbraw/zinc/32/09/74/492320974.db2.gz DUDDMCBDKDXFSE-LIRRHRJNSA-N -1 3 372.425 0.824 10 0 FCAEHM C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC000647581836 492324211 /nfs/dbraw/zinc/32/42/11/492324211.db2.gz PVXGZZSZBZAKPJ-MELADBBJSA-N -1 3 353.463 0.983 10 0 FCAEHM CN(C)C(=O)C1CCN(C(=O)CC[N-]S(=O)(=O)c2cccs2)CC1 ZINC000641982117 492326888 /nfs/dbraw/zinc/32/68/88/492326888.db2.gz NOVBOGAIKILLQR-UHFFFAOYSA-N -1 3 373.500 0.743 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CN2C(=O)N[C@@H](c3ccnn3C)C2=O)s1 ZINC000647669450 492342442 /nfs/dbraw/zinc/34/24/42/492342442.db2.gz SSZNVPFDLODYDG-NSHDSACASA-N -1 3 369.428 0.183 10 0 FCAEHM O=C(NC1CN(c2ccncn2)C1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000634452605 492343557 /nfs/dbraw/zinc/34/35/57/492343557.db2.gz AAPGAKVCYNLMGK-HNNXBMFYSA-N -1 3 367.409 0.792 10 0 FCAEHM COc1cc(F)ccc1N1CCN(Cc2cc(=O)n3nc(N)[n-]c3n2)CC1 ZINC000621257638 492364803 /nfs/dbraw/zinc/36/48/03/492364803.db2.gz FOSXMOGNDSVARW-UHFFFAOYSA-N -1 3 373.392 0.300 10 0 FCAEHM COc1ccc(CN2CC[C@@H]2CNC(=O)C(=O)[N-]c2cnns2)cc1 ZINC000627806679 492390673 /nfs/dbraw/zinc/39/06/73/492390673.db2.gz LCPPSKANYGCEDG-GFCCVEGCSA-N -1 3 361.427 0.876 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)N2CC(CC3CC3)C2)ccc1F ZINC000621669795 492402801 /nfs/dbraw/zinc/40/28/01/492402801.db2.gz XTFGQMSVSDDJAU-UHFFFAOYSA-N -1 3 369.418 0.931 10 0 FCAEHM CN(C)CCOc1ccccc1CNC(=O)c1c[n-]n2c1nccc2=O ZINC000621786573 492411735 /nfs/dbraw/zinc/41/17/35/492411735.db2.gz SVSMZIFBGQOZRD-UHFFFAOYSA-N -1 3 355.398 0.893 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCn2nncc2C1 ZINC000655227681 492416708 /nfs/dbraw/zinc/41/67/08/492416708.db2.gz KVKBPSNSWYHMGY-UHFFFAOYSA-N -1 3 361.836 0.314 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@H](C2CC2)[C@H]2CCCCO2)cn1C ZINC000655226626 492416744 /nfs/dbraw/zinc/41/67/44/492416744.db2.gz UYOOPKQENKPXRN-CZUORRHYSA-N -1 3 370.475 0.471 10 0 FCAEHM O=C([O-])C1CN(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000621829302 492420037 /nfs/dbraw/zinc/42/00/37/492420037.db2.gz QECHXHDGPBNEDY-UHFFFAOYSA-N -1 3 360.458 0.920 10 0 FCAEHM C[C@]1(c2cccc(C(=O)NC3CC(N4CCOCC4)C3)c2)NC(=O)[N-]C1=O ZINC000627935969 492424069 /nfs/dbraw/zinc/42/40/69/492424069.db2.gz HRDSPCGTKPMZFD-JFIBYHEFSA-N -1 3 372.425 0.334 10 0 FCAEHM Cn1cnnc1N1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)CC1 ZINC000655292422 492425403 /nfs/dbraw/zinc/42/54/03/492425403.db2.gz HXHWEOQAEFREIR-UHFFFAOYSA-N -1 3 364.431 0.149 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@H]2C[C@H](OC(C)(C)C)C2)cn1C ZINC000655310956 492433863 /nfs/dbraw/zinc/43/38/63/492433863.db2.gz LMZDKQICRVCYKG-HAQNSBGRSA-N -1 3 358.464 0.469 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NCCO[C@@H]1CC1(F)F ZINC000622161370 492460417 /nfs/dbraw/zinc/46/04/17/492460417.db2.gz WLFQRHOIIPRNKZ-SECBINFHSA-N -1 3 353.347 0.110 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CC[C@@H](C)[C@@H](CO)C1 ZINC000622222907 492466186 /nfs/dbraw/zinc/46/61/86/492466186.db2.gz CTLNKDHBVASWPP-FRRDWIJNSA-N -1 3 358.435 0.969 10 0 FCAEHM C[C@@H](C[N-]S(=O)(=O)c1cnn2c1OCCC2)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655639893 492469218 /nfs/dbraw/zinc/46/92/18/492469218.db2.gz WLWWKGMOWLUFKQ-RWMBFGLXSA-N -1 3 358.464 0.442 10 0 FCAEHM CN(C)S(=O)(=O)N1CCCN(C(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000622607057 492480284 /nfs/dbraw/zinc/48/02/84/492480284.db2.gz UCLOXQURTGYHMD-UHFFFAOYSA-N -1 3 359.423 0.415 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)Nc2n[nH]cc2C2CC2)cn1C ZINC000648976746 492480343 /nfs/dbraw/zinc/48/03/43/492480343.db2.gz BNTUUBQETISMER-UHFFFAOYSA-N -1 3 352.420 0.636 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCC(C)(C)[C@@]2(O)CCOC2)c(C)o1 ZINC000649091011 492498077 /nfs/dbraw/zinc/49/80/77/492498077.db2.gz OSGKFQJYMSPXLD-OAHLLOKOSA-N -1 3 360.432 0.404 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCO[C@H](c2c(F)cccc2Cl)C1 ZINC000649203890 492509621 /nfs/dbraw/zinc/50/96/21/492509621.db2.gz XZJOUEFPOKAEHQ-NSHDSACASA-N -1 3 355.753 0.931 10 0 FCAEHM CC(C)C[C@H](CNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12)C(=O)[O-] ZINC000655997703 492510203 /nfs/dbraw/zinc/51/02/03/492510203.db2.gz IYXAXYYIOKGLHX-RBSFLKMASA-N -1 3 353.463 0.983 10 0 FCAEHM COc1ccc2c(c1)[n-]cc(C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C)c2=O ZINC000649234964 492514214 /nfs/dbraw/zinc/51/42/14/492514214.db2.gz WZCUIZWPVZMTCI-GFCCVEGCSA-N -1 3 372.425 0.729 10 0 FCAEHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCS(=O)(=O)[C@H]2CCC[C@H]21 ZINC000643646979 492514462 /nfs/dbraw/zinc/51/44/62/492514462.db2.gz YCWJAORJBXAQTR-OLZOCXBDSA-N -1 3 363.395 0.754 10 0 FCAEHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCS(=O)(=O)[C@@H]2CCC[C@@H]21 ZINC000643646980 492514740 /nfs/dbraw/zinc/51/47/40/492514740.db2.gz YCWJAORJBXAQTR-QWHCGFSZSA-N -1 3 363.395 0.754 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1Cc2cnn(C)c2C1 ZINC000623234225 492531857 /nfs/dbraw/zinc/53/18/57/492531857.db2.gz BWHDEERCDIJQFR-JTQLQIEISA-N -1 3 352.391 0.768 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[C@H]3CC[C@@H](C2)S3)cn1C ZINC000628652966 492532308 /nfs/dbraw/zinc/53/23/08/492532308.db2.gz ILNMWVVWTAETJE-OLZOCXBDSA-N -1 3 372.516 0.893 10 0 FCAEHM COc1ccc(C(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)c([O-])c1 ZINC000628733849 492541652 /nfs/dbraw/zinc/54/16/52/492541652.db2.gz ZMIAIFDTLPKHES-NSHDSACASA-N -1 3 354.370 0.847 10 0 FCAEHM CCn1c(=O)[n-]c(=O)c2c(C(=O)N[C@@H]3COCCC3=O)cc(C3CC3)nc21 ZINC000628869716 492557227 /nfs/dbraw/zinc/55/72/27/492557227.db2.gz BOAGURCGECQUJP-GFCCVEGCSA-N -1 3 372.381 0.482 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCO[C@H](CCF)C1 ZINC000629025632 492574481 /nfs/dbraw/zinc/57/44/81/492574481.db2.gz YWYBZXVAQWJJSX-MRVPVSSYSA-N -1 3 364.171 0.298 10 0 FCAEHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1)C2 ZINC000636289110 492575490 /nfs/dbraw/zinc/57/54/90/492575490.db2.gz OZBAICVINNNJGX-BLLLJJGKSA-N -1 3 353.382 0.947 10 0 FCAEHM CN(C)S(=O)(=O)N1CC(NCc2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000623794416 492596618 /nfs/dbraw/zinc/59/66/18/492596618.db2.gz SWIQJUSINPYEPZ-UHFFFAOYSA-N -1 3 353.366 0.991 10 0 FCAEHM CN(C)CCN1CCN(C(=O)N=c2nc(C(C)(C)C)[n-]s2)CC1=O ZINC000650026357 492606925 /nfs/dbraw/zinc/60/69/25/492606925.db2.gz CUPBHUZLVZFDAY-UHFFFAOYSA-N -1 3 354.480 0.495 10 0 FCAEHM NC(=O)C[C@@H]1CN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)CCO1 ZINC000629394633 492619855 /nfs/dbraw/zinc/61/98/55/492619855.db2.gz KYEDCCQTGRIUGF-SECBINFHSA-N -1 3 351.309 0.523 10 0 FCAEHM COC1(CS(=O)(=O)[N-]c2cc(Cl)c(=O)n(C)c2)CCOCC1 ZINC000650188307 492621224 /nfs/dbraw/zinc/62/12/24/492621224.db2.gz WCIOBNPULUFKFR-UHFFFAOYSA-N -1 3 350.824 0.976 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]c1ccc2n[nH]c(C(N)=O)c2c1)[C@@H]1CCOC1 ZINC000656627088 492639144 /nfs/dbraw/zinc/63/91/44/492639144.db2.gz SBSXKRRFJHIQKB-NOZJJQNGSA-N -1 3 368.415 0.455 10 0 FCAEHM Cc1cc(C(N)=O)cc(S(=O)(=O)[N-]c2ccnn2CCN(C)C)c1 ZINC000656735811 492648593 /nfs/dbraw/zinc/64/85/93/492648593.db2.gz WUYGKIUCTAFMAJ-UHFFFAOYSA-N -1 3 351.432 0.653 10 0 FCAEHM O=C1N(CC[N-]S(=O)(=O)c2ccc(F)cc2F)C(=O)C23CC(C2)CN13 ZINC000656813140 492650080 /nfs/dbraw/zinc/65/00/80/492650080.db2.gz AWAPQRDVKJSVTK-UHFFFAOYSA-N -1 3 371.365 0.670 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000629757310 492665283 /nfs/dbraw/zinc/66/52/83/492665283.db2.gz UGGMJUSYVGJOAJ-NORZTCDRSA-N -1 3 356.419 0.866 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]CC1(O)Cc2ccccc2C1)[C@@H]1CCOC1 ZINC000656913729 492667561 /nfs/dbraw/zinc/66/75/61/492667561.db2.gz HNZDZGVDWIJCLK-CVEARBPZSA-N -1 3 355.456 0.487 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCN1CCO[C@H](C)C1 ZINC000624654832 492669961 /nfs/dbraw/zinc/66/99/61/492669961.db2.gz TVWAZMORFMMJON-OLZOCXBDSA-N -1 3 373.450 0.329 10 0 FCAEHM CN1CCOC[C@H]1CNC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000624730217 492675816 /nfs/dbraw/zinc/67/58/16/492675816.db2.gz CHHCAZZBCSHCOU-OAHLLOKOSA-N -1 3 362.430 0.190 10 0 FCAEHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)C[C@H](OC)[C@H]2CCOC2)[C@@]12CCCO2 ZINC000656959673 492679236 /nfs/dbraw/zinc/67/92/36/492679236.db2.gz VSOLCUYODDOIHR-GVRJEKJASA-N -1 3 363.476 0.684 10 0 FCAEHM CCO[C@@H]1C[C@](O)(C[N-]S(=O)(=O)C[C@@H](OC)[C@@H]2CCOC2)C1(C)C ZINC000656970548 492682424 /nfs/dbraw/zinc/68/24/24/492682424.db2.gz OKDJZPHQKVYPMM-KQTLUZQSSA-N -1 3 365.492 0.523 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@H](C1CC1)[C@]1(CO)CCCO1)[C@@H]1CCOC1 ZINC000656997794 492690527 /nfs/dbraw/zinc/69/05/27/492690527.db2.gz MDNCYNGCTGXTQI-KLHDSHLOSA-N -1 3 363.476 0.277 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]Cc1ncn(-c2ccccc2)n1)[C@H]1CCOC1 ZINC000656999467 492690589 /nfs/dbraw/zinc/69/05/89/492690589.db2.gz ZRNPBTXTDYROCE-ZFWWWQNUSA-N -1 3 366.443 0.738 10 0 FCAEHM CCN(C)C(=O)[C@@H]([N-]S(=O)(=O)C[C@H](OC)[C@H]1CCOC1)C(C)C ZINC000657001029 492691303 /nfs/dbraw/zinc/69/13/03/492691303.db2.gz HEAACWNOHUJLPN-IHRRRGAJSA-N -1 3 350.481 0.460 10 0 FCAEHM CCN(C)C(=O)[C@@H]([N-]S(=O)(=O)C[C@@H](OC)[C@H]1CCOC1)C(C)C ZINC000657001031 492691429 /nfs/dbraw/zinc/69/14/29/492691429.db2.gz HEAACWNOHUJLPN-MJBXVCDLSA-N -1 3 350.481 0.460 10 0 FCAEHM CNS(=O)(=O)C[C@@H]1CCCN(C(=O)c2cc(NC(C)=O)ccc2[O-])C1 ZINC000629891253 492696407 /nfs/dbraw/zinc/69/64/07/492696407.db2.gz QBLWHVBLXYALEJ-GFCCVEGCSA-N -1 3 369.443 0.752 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCCN(S(C)(=O)=O)C2)c(F)c1F ZINC000624903721 492696553 /nfs/dbraw/zinc/69/65/53/492696553.db2.gz WMNVVZYLFXXUQM-JTQLQIEISA-N -1 3 368.427 0.976 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-][C@@H](Cc2ccccc2)C(N)=O)CCOCC1 ZINC000624904665 492696638 /nfs/dbraw/zinc/69/66/38/492696638.db2.gz UEACVGPPROMRHB-HNNXBMFYSA-N -1 3 370.471 0.588 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@@H]1CCc2ccccc2NC1=O)[C@@H]1CCOC1 ZINC000657024543 492698083 /nfs/dbraw/zinc/69/80/83/492698083.db2.gz YINPYSCFQQPOJP-FVQBIDKESA-N -1 3 368.455 0.911 10 0 FCAEHM CO[C@H](C[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F)[C@H]1CCOC1 ZINC000657043139 492702752 /nfs/dbraw/zinc/70/27/52/492702752.db2.gz GBRKQZPTVSYHAH-QPUJVOFHSA-N -1 3 360.363 0.590 10 0 FCAEHM CO[C@H](C[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C)[C@@H]1CCOC1 ZINC000657045721 492703123 /nfs/dbraw/zinc/70/31/23/492703123.db2.gz VVNFLJNXIBWMEG-VXGBXAGGSA-N -1 3 360.432 0.620 10 0 FCAEHM CCO[C@@H](CS(=O)(=O)[N-][C@@H]1CCN(CC(F)(F)F)C1=O)C1CC1 ZINC000624965369 492704439 /nfs/dbraw/zinc/70/44/39/492704439.db2.gz WUWFBPMLNBSYIT-MNOVXSKESA-N -1 3 358.382 0.884 10 0 FCAEHM CC[C@H](COCC1CC1)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000657058648 492705574 /nfs/dbraw/zinc/70/55/74/492705574.db2.gz SVQBOLIUZXVYNM-GFCCVEGCSA-N -1 3 362.473 0.969 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)N[C@@H]1CCN(C2CCC2)C1=O ZINC000629928983 492706349 /nfs/dbraw/zinc/70/63/49/492706349.db2.gz GKAJBVDXZXAWEP-LLVKDONJSA-N -1 3 357.457 0.296 10 0 FCAEHM CN1c2ccccc2C[C@@H]([N-]S(=O)(=O)N2CCOC(C)(C)C2)C1=O ZINC000657071486 492709047 /nfs/dbraw/zinc/70/90/47/492709047.db2.gz SOIUIGATMGPJPS-CYBMUJFWSA-N -1 3 353.444 0.519 10 0 FCAEHM O=S(=O)([N-]C[C@@]1(OCCO)CCOC1)c1cc(F)cc(Cl)c1 ZINC000657085779 492712362 /nfs/dbraw/zinc/71/23/62/492712362.db2.gz ICCDTIYUOCYPSP-ZDUSSCGKSA-N -1 3 353.799 0.925 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]C[C@@]1(OCCO)CCOC1)C1CCCC1 ZINC000657091719 492715135 /nfs/dbraw/zinc/71/51/35/492715135.db2.gz TYERFBOVEDLANQ-GJZGRUSLSA-N -1 3 351.465 0.279 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]C[C@]1(OCCO)CCOC1)C1CCCC1 ZINC000657091721 492715612 /nfs/dbraw/zinc/71/56/12/492715612.db2.gz TYERFBOVEDLANQ-HUUCEWRRSA-N -1 3 351.465 0.279 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]C[C@@H](C)S(C)(=O)=O)c1ccc(F)cc1 ZINC000625084592 492722015 /nfs/dbraw/zinc/72/20/15/492722015.db2.gz GOTBECUPHYRJPQ-MFKMUULPSA-N -1 3 353.437 0.866 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]C[C@H](C)S(C)(=O)=O)c1ccc(F)cc1 ZINC000625084589 492722127 /nfs/dbraw/zinc/72/21/27/492722127.db2.gz GOTBECUPHYRJPQ-GWCFXTLKSA-N -1 3 353.437 0.866 10 0 FCAEHM CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-][C@H](CO)c1cnn(C)c1 ZINC000625094656 492722874 /nfs/dbraw/zinc/72/28/74/492722874.db2.gz CFPGSYONTVKSPB-HZPDHXFCSA-N -1 3 371.434 0.770 10 0 FCAEHM O=c1[nH]c2cc(F)c(S(=O)(=O)[N-]CCO[C@H]3CC3(F)F)cc2o1 ZINC000657119306 492724776 /nfs/dbraw/zinc/72/47/76/492724776.db2.gz QUSWQIXDNLYWKS-JTQLQIEISA-N -1 3 352.290 0.963 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@](O)(C2CC2)C1 ZINC000657130851 492728854 /nfs/dbraw/zinc/72/88/54/492728854.db2.gz HUHYLCICBXAWNF-OAHLLOKOSA-N -1 3 374.484 0.520 10 0 FCAEHM CCO[C@H](CS(=O)(=O)[N-]Cc1ncccc1S(C)(=O)=O)C1CC1 ZINC000625161984 492732822 /nfs/dbraw/zinc/73/28/22/492732822.db2.gz XRFSNNSZZRXDIO-CYBMUJFWSA-N -1 3 362.473 0.720 10 0 FCAEHM CCO[C@@H](CS(=O)(=O)[N-]Cc1ncccc1S(C)(=O)=O)C1CC1 ZINC000625161985 492732871 /nfs/dbraw/zinc/73/28/71/492732871.db2.gz XRFSNNSZZRXDIO-ZDUSSCGKSA-N -1 3 362.473 0.720 10 0 FCAEHM CC(C)(C)[C@H](O)C[C@@H](CO)[N-]S(=O)(=O)c1cnnn1-c1ccccc1 ZINC000625192767 492736749 /nfs/dbraw/zinc/73/67/49/492736749.db2.gz IMOLABXXQNQTCI-GXTWGEPZSA-N -1 3 368.459 0.704 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-][C@@H]2C[C@H]3CCCCN3C2=O)CCOCC1 ZINC000625249025 492744904 /nfs/dbraw/zinc/74/49/04/492744904.db2.gz DOBKYHFCZJSCQX-ZIAGYGMSSA-N -1 3 360.476 0.645 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-]Cc2nc(C(N)=O)cs2)CCOCC1 ZINC000625291340 492751709 /nfs/dbraw/zinc/75/17/09/492751709.db2.gz YUDNNGUOYIWQNE-UHFFFAOYSA-N -1 3 363.461 0.247 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]C[C@@H](n1cccn1)C(F)(F)F)[C@@H]1CCOC1 ZINC000625326889 492756875 /nfs/dbraw/zinc/75/68/75/492756875.db2.gz BYLIMCVLPHSKRK-IJLUTSLNSA-N -1 3 371.381 0.957 10 0 FCAEHM CN1C2(CCC2)COC[C@@]1(CO)C[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000625376669 492768244 /nfs/dbraw/zinc/76/82/44/492768244.db2.gz MFUBRTZEBKPGRA-HOCLYGCPSA-N -1 3 362.492 0.091 10 0 FCAEHM CC(C)n1cnc(=NC(=O)C(=O)NC[C@H](C2CCCCC2)N(C)C)[n-]1 ZINC000651502525 492769680 /nfs/dbraw/zinc/76/96/80/492769680.db2.gz OZFYIMSOGCQNJK-CQSZACIVSA-N -1 3 350.467 0.846 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC2(OCCO)CCC(F)(F)CC2)c1 ZINC000625409874 492776680 /nfs/dbraw/zinc/77/66/80/492776680.db2.gz QIKZGXFVBJCTID-UHFFFAOYSA-N -1 3 353.391 0.655 10 0 FCAEHM COC1(CS(=O)(=O)[N-][C@H](C)C(=O)N2CCCC[C@H]2C)CCOCC1 ZINC000651545359 492777951 /nfs/dbraw/zinc/77/79/51/492777951.db2.gz DSIYXIVCDSTSCG-ZIAGYGMSSA-N -1 3 362.492 0.891 10 0 FCAEHM CO[C@H]1CN2C(=O)N(CC[N-]S(=O)(=O)c3cccs3)C(=O)[C@]2(C)C1 ZINC000630977843 492791700 /nfs/dbraw/zinc/79/17/00/492791700.db2.gz JGDZXLZAHUDPKO-YGRLFVJLSA-N -1 3 373.456 0.468 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CN2C(=O)N3C[C@H](OC)C[C@]3(C)C2=O)s1 ZINC000630980425 492791970 /nfs/dbraw/zinc/79/19/70/492791970.db2.gz AGXLICRXSRAONH-YMTOWFKASA-N -1 3 373.456 0.598 10 0 FCAEHM Cc1nn2cc(S(=O)(=O)[N-]C[C@@H]3COCCN3C)cnc2c1Cl ZINC000625518028 492807276 /nfs/dbraw/zinc/80/72/76/492807276.db2.gz RVEPCGBZNXNIPT-SNVBAGLBSA-N -1 3 359.839 0.300 10 0 FCAEHM Cc1nn2cc(S(=O)(=O)[N-]C[C@H]3COCCN3C)cnc2c1Cl ZINC000625518027 492807961 /nfs/dbraw/zinc/80/79/61/492807961.db2.gz RVEPCGBZNXNIPT-JTQLQIEISA-N -1 3 359.839 0.300 10 0 FCAEHM COC1(CS(=O)(=O)[N-]C2(C(=O)N(C)C)CCCCC2)CCOCC1 ZINC000651726155 492813606 /nfs/dbraw/zinc/81/36/06/492813606.db2.gz BSPDYNGIAKVYRH-UHFFFAOYSA-N -1 3 362.492 0.893 10 0 FCAEHM COC1(CS(=O)(=O)[N-][C@@H](C)C(=O)Nc2cccnc2C)CCOCC1 ZINC000651735782 492815377 /nfs/dbraw/zinc/81/53/77/492815377.db2.gz BMGWXJJKWJXCCV-ZDUSSCGKSA-N -1 3 371.459 0.832 10 0 FCAEHM CC1(C(=O)C[N-]S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)CCCC1 ZINC000625550446 492817319 /nfs/dbraw/zinc/81/73/19/492817319.db2.gz YAWHPXJJSPBPRB-UHFFFAOYSA-N -1 3 360.457 0.913 10 0 FCAEHM Cc1cnc(C)c(NC(=O)C(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000651791109 492824501 /nfs/dbraw/zinc/82/45/01/492824501.db2.gz YFMRALKGIYSPQB-XIKOKIGWSA-N -1 3 373.413 0.616 10 0 FCAEHM CCN([C@H]1CCCOC1)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C ZINC000651845105 492833014 /nfs/dbraw/zinc/83/30/14/492833014.db2.gz CUXJFDIQCHMPQR-LBPRGKRZSA-N -1 3 362.473 0.784 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]CC(=O)Nc1ccc2c(c1)OCCO2)C1CC1 ZINC000625617231 492840356 /nfs/dbraw/zinc/84/03/56/492840356.db2.gz UOSIWRJXNBWXEV-OAHLLOKOSA-N -1 3 370.427 0.741 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]CC(=O)Nc1ccc2c(c1)OCCO2)C1CC1 ZINC000625617230 492840388 /nfs/dbraw/zinc/84/03/88/492840388.db2.gz UOSIWRJXNBWXEV-HNNXBMFYSA-N -1 3 370.427 0.741 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]C[C@@H]2CN(Cc3ccncc3)CCO2)c1 ZINC000625618460 492840841 /nfs/dbraw/zinc/84/08/41/492840841.db2.gz JPUDWBPRMOLWHV-OAHLLOKOSA-N -1 3 365.459 0.477 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CC[C@@]2(O)CCCOC2)coc1C(=O)N(C)C ZINC000651913034 492845608 /nfs/dbraw/zinc/84/56/08/492845608.db2.gz KZDPXVPSYQMMGD-HNNXBMFYSA-N -1 3 360.432 0.500 10 0 FCAEHM O=C(c1cccc(-n2cc[nH]c2=O)c1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000651931672 492849959 /nfs/dbraw/zinc/84/99/59/492849959.db2.gz ZBHYUVPERILRDA-QGZVFWFLSA-N -1 3 355.354 0.392 10 0 FCAEHM CCN1C[C@@H](S(=O)(=O)[N-]CC(=O)Nc2ccc(Cl)cc2)CC1=O ZINC000631785988 492853356 /nfs/dbraw/zinc/85/33/56/492853356.db2.gz QGWVEXUTCOMTPS-LBPRGKRZSA-N -1 3 359.835 0.819 10 0 FCAEHM CCN(Cc1ccccc1)C(=O)C[N-]S(=O)(=O)C[C@H]1CN(C)CCO1 ZINC000631793828 492853948 /nfs/dbraw/zinc/85/39/48/492853948.db2.gz FBZZDVNKSBFQHY-MRXNPFEDSA-N -1 3 369.487 0.285 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)NC[C@@H]3CCCC34CC4)cnc21 ZINC000625669945 492856181 /nfs/dbraw/zinc/85/61/81/492856181.db2.gz GGBRGVDDCOBEBZ-JTQLQIEISA-N -1 3 364.427 0.893 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)CCn2cc(Br)cn2)nc1=N ZINC000651979306 492857159 /nfs/dbraw/zinc/85/71/59/492857159.db2.gz ISEPYMKANLLYSG-JTQLQIEISA-N -1 3 368.239 0.940 10 0 FCAEHM CN1CCO[C@@H](CS(=O)(=O)[N-]Cc2noc(-c3cccs3)n2)C1 ZINC000631814283 492857701 /nfs/dbraw/zinc/85/77/01/492857701.db2.gz HTWXRRVUSDFCED-SNVBAGLBSA-N -1 3 358.445 0.548 10 0 FCAEHM CCN1C[C@@H](S(=O)(=O)[N-][C@H]2CCN(Cc3ccccc3)C2=O)CC1=O ZINC000631814002 492857956 /nfs/dbraw/zinc/85/79/56/492857956.db2.gz ZBZZTPJYFZZOAU-GJZGRUSLSA-N -1 3 365.455 0.328 10 0 FCAEHM O=C(C[N-]S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1)Nc1cccc(F)c1 ZINC000631850059 492862894 /nfs/dbraw/zinc/86/28/94/492862894.db2.gz DDWVDUCIHGGUAA-ZDUSSCGKSA-N -1 3 355.391 0.447 10 0 FCAEHM O=C(NCc1ccc([O-])c(F)c1)N1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000645308956 492891727 /nfs/dbraw/zinc/89/17/27/492891727.db2.gz DHRRKCRFNMCDQP-OAHLLOKOSA-N -1 3 358.391 0.630 10 0 FCAEHM CN1CCO[C@@H](CS(=O)(=O)[N-][C@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000631953396 492897625 /nfs/dbraw/zinc/89/76/25/492897625.db2.gz JJFWVGOHLAWRQF-OCCSQVGLSA-N -1 3 371.434 0.181 10 0 FCAEHM CN1CCO[C@@H](CS(=O)(=O)[N-][C@@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000631969970 492900752 /nfs/dbraw/zinc/90/07/52/492900752.db2.gz PAKULFLVGNOECZ-HZPDHXFCSA-N -1 3 367.471 0.432 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@@H](C)C(=O)NC(C)(C)C)coc1C(=O)N(C)C ZINC000645489877 492913380 /nfs/dbraw/zinc/91/33/80/492913380.db2.gz OUKYDPXGWVCKTG-JTQLQIEISA-N -1 3 359.448 0.871 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CCCS(C)(=O)=O)coc1C(=O)N(C)C ZINC000645484626 492913571 /nfs/dbraw/zinc/91/35/71/492913571.db2.gz DSTVJIRWXQOVFK-UHFFFAOYSA-N -1 3 352.434 0.003 10 0 FCAEHM Cc1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C)CC2 ZINC000645513850 492918302 /nfs/dbraw/zinc/91/83/02/492918302.db2.gz QIOSJXXOGGBWLR-LLVKDONJSA-N -1 3 367.431 0.483 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@H](C)[C@@H](C)N2CCOCC2)coc1C(=O)N(C)C ZINC000645521195 492919728 /nfs/dbraw/zinc/91/97/28/492919728.db2.gz MHZXCHGWSGKGSZ-CHWSQXEVSA-N -1 3 373.475 0.677 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)Cc1ncsc1Br)C(=O)N(C)C ZINC000632075146 492924370 /nfs/dbraw/zinc/92/43/70/492924370.db2.gz JVQMDDHRBXAXCU-ZCFIWIBFSA-N -1 3 356.267 0.802 10 0 FCAEHM COC1CCN(CC[N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)CC1 ZINC000632078713 492925001 /nfs/dbraw/zinc/92/50/01/492925001.db2.gz BFHCLPMIZWRTBQ-UHFFFAOYSA-N -1 3 370.397 0.828 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]CC1(O)Cc2ccccc2C1)C1CCOCC1 ZINC000645560517 492927550 /nfs/dbraw/zinc/92/75/50/492927550.db2.gz XQBTZDDOLSNXJW-QGZVFWFLSA-N -1 3 369.483 0.877 10 0 FCAEHM Cn1ccc(N2CCC[C@H]([N-]S(=O)(=O)CCOCC3CCC3)C2=O)n1 ZINC000645567258 492928395 /nfs/dbraw/zinc/92/83/95/492928395.db2.gz MNLYAIJCUDKQKZ-AWEZNQCLSA-N -1 3 370.475 0.652 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@@H]2CC(=O)N(C(C)(C)C)C2)coc1C(=O)N(C)C ZINC000645574812 492930981 /nfs/dbraw/zinc/93/09/81/492930981.db2.gz CSXROLVLZVXYSN-LLVKDONJSA-N -1 3 371.459 0.968 10 0 FCAEHM CCN1C[C@H](S(=O)(=O)[N-][C@H]2CCN(C3CCCCC3)C2=O)CC1=O ZINC000632113302 492932072 /nfs/dbraw/zinc/93/20/72/492932072.db2.gz XJYGFPBNTXXSPB-KGLIPLIRSA-N -1 3 357.476 0.460 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]CC(C)(C)S(C)(=O)=O)C1CCOCC1 ZINC000645581448 492932113 /nfs/dbraw/zinc/93/21/13/492932113.db2.gz LQNWJYVDRAVCRW-LBPRGKRZSA-N -1 3 357.494 0.171 10 0 FCAEHM CCN1C[C@H](S(=O)(=O)[N-][C@@H]2CCN(C3CCCCC3)C2=O)CC1=O ZINC000632113304 492932611 /nfs/dbraw/zinc/93/26/11/492932611.db2.gz XJYGFPBNTXXSPB-ZIAGYGMSSA-N -1 3 357.476 0.460 10 0 FCAEHM O=c1[nH]cc(S(=O)(=O)[N-][C@H]2CCCN(CC(F)(F)F)C2=O)s1 ZINC000632127342 492934940 /nfs/dbraw/zinc/93/49/40/492934940.db2.gz BHIYWSSMVOFDOY-LURJTMIESA-N -1 3 359.351 0.680 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CCCO[C@H]2CCOC2)coc1C(=O)N(C)C ZINC000645597961 492936524 /nfs/dbraw/zinc/93/65/24/492936524.db2.gz LGBVRFSEZZKPLK-LBPRGKRZSA-N -1 3 360.432 0.764 10 0 FCAEHM CCC(=O)N1CC[C@H]([N-]S(=O)(=O)c2coc(C(=O)N(C)C)c2C)C1 ZINC000645603137 492938421 /nfs/dbraw/zinc/93/84/21/492938421.db2.gz BMEYCSOIWXZQAA-NSHDSACASA-N -1 3 357.432 0.579 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]C[C@H]2CCCS2(=O)=O)coc1C(=O)N(C)C ZINC000645609607 492940386 /nfs/dbraw/zinc/94/03/86/492940386.db2.gz JQILWEJMXSNICN-SNVBAGLBSA-N -1 3 364.445 0.145 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]Cc1nnc(C2CC2)n1C ZINC000632196887 492948601 /nfs/dbraw/zinc/94/86/01/492948601.db2.gz DCWVLJPTPIBWJA-UHFFFAOYSA-N -1 3 364.353 0.923 10 0 FCAEHM CN(C)C1(CS(=O)(=O)[N-][C@H]2CCCN(c3cccnc3)C2=O)CC1 ZINC000632203875 492950548 /nfs/dbraw/zinc/95/05/48/492950548.db2.gz ZBHFHDSIWUITQJ-AWEZNQCLSA-N -1 3 352.460 0.591 10 0 FCAEHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)[C@H]2CC(=O)N(C3CC3)C2)[C@@]12CCCO2 ZINC000632211498 492951763 /nfs/dbraw/zinc/95/17/63/492951763.db2.gz OODGSACWUMFTPU-AYDFFVQHSA-N -1 3 358.460 0.396 10 0 FCAEHM CC[C@]([N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C)(C(N)=O)C(C)C ZINC000645645817 492953490 /nfs/dbraw/zinc/95/34/90/492953490.db2.gz GZMZJAUFLBFOKY-OAHLLOKOSA-N -1 3 359.448 0.858 10 0 FCAEHM Cc1ccccc1-c1nc(C[N-]S(=O)(=O)C[C@H]2CN(C)CCO2)no1 ZINC000632232429 492954667 /nfs/dbraw/zinc/95/46/67/492954667.db2.gz BJKYXTBSASYMBG-CYBMUJFWSA-N -1 3 366.443 0.795 10 0 FCAEHM CCO[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000645650238 492955118 /nfs/dbraw/zinc/95/51/18/492955118.db2.gz XXWHDKRSBMUNDF-NEPJUHHUSA-N -1 3 360.432 0.762 10 0 FCAEHM C[C@]1(C[C@H]2CCCN2S(=O)(=O)CCC[C@@H]2CCOC2)NC(=O)[N-]C1=O ZINC000645714213 492965285 /nfs/dbraw/zinc/96/52/85/492965285.db2.gz ZYKQWCUBHPXJMB-XJKCOSOUSA-N -1 3 373.475 0.586 10 0 FCAEHM Cc1nn2cc(Br)cnc2c1S(=O)(=O)[N-]CCCCO ZINC000632285513 492965394 /nfs/dbraw/zinc/96/53/94/492965394.db2.gz UHTUWEHGHZCADW-UHFFFAOYSA-N -1 3 363.237 0.851 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]C[C@@H](CO)[C@@H]1CCOC1 ZINC000632298194 492967545 /nfs/dbraw/zinc/96/75/45/492967545.db2.gz FMBPCOUPHKPLDM-BDAKNGLRSA-N -1 3 357.354 0.362 10 0 FCAEHM Cn1cnc(CCC[N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)n1 ZINC000645805025 492977016 /nfs/dbraw/zinc/97/70/16/492977016.db2.gz KTNRXAFCKCCDAQ-UHFFFAOYSA-N -1 3 367.406 0.750 10 0 FCAEHM C[C@@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000632341048 492977949 /nfs/dbraw/zinc/97/79/49/492977949.db2.gz WNHSZGVPGNYEKF-YWPYICTPSA-N -1 3 374.484 0.710 10 0 FCAEHM CCN1C[C@H](S(=O)(=O)[N-][C@H]([C@H]2CCCO2)C2(CO)CCC2)CC1=O ZINC000632346824 492979317 /nfs/dbraw/zinc/97/93/17/492979317.db2.gz GUSSPWAZVQQUEG-UMVBOHGHSA-N -1 3 360.476 0.237 10 0 FCAEHM CN1CCO[C@H](CS(=O)(=O)[N-]C[C@@]2(C)OCCc3sccc32)C1 ZINC000632345878 492979498 /nfs/dbraw/zinc/97/94/98/492979498.db2.gz XDHKAOYKDDKIBE-SWLSCSKDSA-N -1 3 360.501 0.786 10 0 FCAEHM CCN1C[C@H](S(=O)(=O)[N-][C@@H]([C@H]2CCCO2)C2(CO)CCC2)CC1=O ZINC000632346823 492979531 /nfs/dbraw/zinc/97/95/31/492979531.db2.gz GUSSPWAZVQQUEG-NFAWXSAZSA-N -1 3 360.476 0.237 10 0 FCAEHM CC(=O)Nc1ncc(S(=O)(=O)[N-]CC(C)(C)[C@@]2(O)CCOC2)s1 ZINC000645839548 492982277 /nfs/dbraw/zinc/98/22/77/492982277.db2.gz ROEIJAMCNMYEKC-CYBMUJFWSA-N -1 3 363.461 0.557 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-][C@H]1C[C@@H]2CCCCN2C1=O ZINC000632434319 492996761 /nfs/dbraw/zinc/99/67/61/492996761.db2.gz RJKPWLVJQUBJES-WPRPVWTQSA-N -1 3 366.365 0.871 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)NCc2ncc3c(n2)CCOC3)c([O-])c1 ZINC000652753705 493015320 /nfs/dbraw/zinc/01/53/20/493015320.db2.gz OBPMJIMNMKFXMK-UHFFFAOYSA-N -1 3 370.409 1.000 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCC[C@]1(O)CCOC1 ZINC000652804568 493020962 /nfs/dbraw/zinc/02/09/62/493020962.db2.gz BOHBYLKHAUPZPV-NHYWBVRUSA-N -1 3 360.407 0.150 10 0 FCAEHM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000652812276 493022953 /nfs/dbraw/zinc/02/29/53/493022953.db2.gz FZNSTRICKXXASP-KBPBESRZSA-N -1 3 371.397 0.398 10 0 FCAEHM CO[C@](C)(CO)C[N-]S(=O)(=O)Cc1ncsc1Br ZINC000632536809 493023599 /nfs/dbraw/zinc/02/35/99/493023599.db2.gz UNODVILSKGYKJS-VIFPVBQESA-N -1 3 359.267 0.722 10 0 FCAEHM CC(=O)N1CC[C@@H](CNC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000646238453 493031382 /nfs/dbraw/zinc/03/13/82/493031382.db2.gz DMKOCTSYXICEFJ-AAEUAGOBSA-N -1 3 371.434 0.477 10 0 FCAEHM CC(C)[C@H](O)[C@H]([N-]S(=O)(=O)C[C@H]1CN(C)CCO1)c1ccccc1 ZINC000632568181 493031433 /nfs/dbraw/zinc/03/14/33/493031433.db2.gz XJPCJTBZYCGTLQ-ZACQAIPSSA-N -1 3 356.488 0.995 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)N1CCOc2c(C)cc(C)cc21 ZINC000652873485 493031539 /nfs/dbraw/zinc/03/15/39/493031539.db2.gz WGJNPKFHQNPFGK-UHFFFAOYSA-N -1 3 356.444 0.985 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CC(N2CC[C@@H](O)C2)C1 ZINC000652891127 493036167 /nfs/dbraw/zinc/03/61/67/493036167.db2.gz AHZTYUOTTLMOQT-GDBMZVCRSA-N -1 3 359.426 0.274 10 0 FCAEHM CN1CCO[C@H](CS(=O)(=O)[N-]C[C@H](n2cccn2)C(F)(F)F)C1 ZINC000632589725 493038046 /nfs/dbraw/zinc/03/80/46/493038046.db2.gz WLZFLXVTMWVZLJ-QWRGUYRKSA-N -1 3 356.370 0.237 10 0 FCAEHM Cn1cnnc1S(=O)(=O)[N-]C[C@@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000632594047 493040479 /nfs/dbraw/zinc/04/04/79/493040479.db2.gz KZOUZXXVVAOWMP-CYBMUJFWSA-N -1 3 371.850 0.652 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-][C@@H]1CCN(C2CCC2)C1=O ZINC000632601377 493042760 /nfs/dbraw/zinc/04/27/60/493042760.db2.gz DFGUDWJWQBLADS-SNVBAGLBSA-N -1 3 366.365 0.871 10 0 FCAEHM COC1(CS(=O)(=O)[N-]C[C@@H]2CN(Cc3ccncc3)CCO2)CCC1 ZINC000632600930 493042783 /nfs/dbraw/zinc/04/27/83/493042783.db2.gz RHHZJVQQKGIACE-MRXNPFEDSA-N -1 3 369.487 0.771 10 0 FCAEHM CCc1cccc(CNC(=O)C[N-]S(=O)(=O)c2cn(C)c(C)n2)c1 ZINC000652924293 493043388 /nfs/dbraw/zinc/04/33/88/493043388.db2.gz CHVWQRMBGZKWCP-UHFFFAOYSA-N -1 3 350.444 0.886 10 0 FCAEHM CS(=O)(=O)CCCS(=O)(=O)[N-]CC(=O)c1cccc(F)c1F ZINC000632604639 493044683 /nfs/dbraw/zinc/04/46/83/493044683.db2.gz RAIQCNLRHQRIIK-UHFFFAOYSA-N -1 3 355.384 0.502 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCOC[C@H]2[C@@H]2CCCN2C)co1 ZINC000646449444 493050135 /nfs/dbraw/zinc/05/01/35/493050135.db2.gz NDDADYORJMBCOU-STQMWFEESA-N -1 3 357.432 0.123 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)c2cccc(Cn3cncn3)c2)nc1=N ZINC000626885043 493051347 /nfs/dbraw/zinc/05/13/47/493051347.db2.gz VHBBBDTXGFUORX-AWEZNQCLSA-N -1 3 352.402 0.845 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000653006432 493058696 /nfs/dbraw/zinc/05/86/96/493058696.db2.gz PIYMINYAGBCTDC-QJPTWQEYSA-N -1 3 374.484 0.820 10 0 FCAEHM Cc1nn2cc(Br)cnc2c1S(=O)(=O)[N-]C1(C)COC1 ZINC000632664887 493061549 /nfs/dbraw/zinc/06/15/49/493061549.db2.gz VGTKTMDZMRSNGP-UHFFFAOYSA-N -1 3 361.221 0.867 10 0 FCAEHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)c1cn2c(n1)COCC2 ZINC000627234268 493113927 /nfs/dbraw/zinc/11/39/27/493113927.db2.gz XZGQXLIKKBGTTB-MNOVXSKESA-N -1 3 359.386 0.907 10 0 FCAEHM CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)[N-]c2cnns2)C1 ZINC000658942046 493114824 /nfs/dbraw/zinc/11/48/24/493114824.db2.gz BDFJFSKBIHJUMN-AWEZNQCLSA-N -1 3 374.470 0.409 10 0 FCAEHM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000646915658 493125187 /nfs/dbraw/zinc/12/51/87/493125187.db2.gz SFBOVUWBTSXOAJ-OCCSQVGLSA-N -1 3 354.414 0.653 10 0 FCAEHM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000646915657 493125514 /nfs/dbraw/zinc/12/55/14/493125514.db2.gz SFBOVUWBTSXOAJ-JSGCOSHPSA-N -1 3 354.414 0.653 10 0 FCAEHM O=C(Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1)N1CCn2nncc2C1 ZINC000654027117 493203903 /nfs/dbraw/zinc/20/39/03/493203903.db2.gz KCZWTCCFNQTGHZ-CYBMUJFWSA-N -1 3 355.358 0.076 10 0 FCAEHM Cn1cc(C[C@@H]2CCC[C@H]2NC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)cn1 ZINC000666708687 493219295 /nfs/dbraw/zinc/21/92/95/493219295.db2.gz GTXWXXOROFENNF-MJBXVCDLSA-N -1 3 360.418 0.077 10 0 FCAEHM CC(C)(C)CC(=O)N1CCN(C(=O)NCc2nc(CN)cc(=O)[n-]2)CC1 ZINC000659629450 493222569 /nfs/dbraw/zinc/22/25/69/493222569.db2.gz SRLZMHWTIATKQF-UHFFFAOYSA-N -1 3 364.450 0.431 10 0 FCAEHM C[C@@H]1C[C@]2(CCO1)CN(C(=O)NCc1nc(CN)cc(=O)[n-]1)C[C@@H](C)O2 ZINC000659630511 493223912 /nfs/dbraw/zinc/22/39/12/493223912.db2.gz PQDLNYBESVUEGS-PSTGCABASA-N -1 3 365.434 0.509 10 0 FCAEHM C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCC2(C(=O)[O-])CCC2)C1 ZINC000659650167 493230240 /nfs/dbraw/zinc/23/02/40/493230240.db2.gz WOOPGTHSLRAFGS-ZDUSSCGKSA-N -1 3 353.463 0.984 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)N2CC[C@H](O)C(F)(F)C2)ccc1F ZINC000667066083 493256518 /nfs/dbraw/zinc/25/65/18/493256518.db2.gz DVWSEMGHZGBHOD-NSHDSACASA-N -1 3 367.349 0.968 10 0 FCAEHM O=C(NCC(F)(F)c1ccc(F)cc1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000667071952 493256820 /nfs/dbraw/zinc/25/68/20/493256820.db2.gz PLUGYRGYGKZCSZ-LLVKDONJSA-N -1 3 356.304 0.863 10 0 FCAEHM C[C@@]1(c2ccccc2)CCN(C(=O)C(=O)NCc2nc(CN)cc(=O)[n-]2)C1 ZINC000659748561 493285648 /nfs/dbraw/zinc/28/56/48/493285648.db2.gz JNSXFTINMGTDIA-LJQANCHMSA-N -1 3 369.425 0.447 10 0 FCAEHM CC(C)(C)n1nnc(C(=O)NCc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)n1 ZINC000667893991 493307358 /nfs/dbraw/zinc/30/73/58/493307358.db2.gz FNPGJICLUXNQQF-KRWDZBQOSA-N -1 3 371.401 0.413 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1C[C@@H](O)CC(F)(F)C1 ZINC000682579126 493309329 /nfs/dbraw/zinc/30/93/29/493309329.db2.gz STFYLZMBYNKFCS-VIFPVBQESA-N -1 3 354.400 0.645 10 0 FCAEHM CC(C)O[C@]1(CS(=O)(=O)[N-][C@@H]2CC[C@@H](C)S(=O)(=O)C2)CCOC1 ZINC000659988904 493312769 /nfs/dbraw/zinc/31/27/69/493312769.db2.gz WVHWJDINJNYUCG-MGPQQGTHSA-N -1 3 369.505 0.456 10 0 FCAEHM COc1nnc(NC(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)s1 ZINC000682690854 493317173 /nfs/dbraw/zinc/31/71/73/493317173.db2.gz JXTRHFIIQJERKP-UHFFFAOYSA-N -1 3 359.367 0.757 10 0 FCAEHM O=S(=O)([N-]C[C@@]1(CO)COCCN1Cc1ccccc1)c1ccco1 ZINC000660032416 493317419 /nfs/dbraw/zinc/31/74/19/493317419.db2.gz IAKQQOSKWHKGPX-QGZVFWFLSA-N -1 3 366.439 0.821 10 0 FCAEHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]CCCN(C)S(C)(=O)=O)cn21 ZINC000668101748 493317844 /nfs/dbraw/zinc/31/78/44/493317844.db2.gz DZNNXBLAQQFENK-LLVKDONJSA-N -1 3 364.493 0.340 10 0 FCAEHM CCS(=O)(=O)C1(C[N-]S(=O)(=O)C[C@]2(OC(C)C)CCOC2)CC1 ZINC000660043663 493318519 /nfs/dbraw/zinc/31/85/19/493318519.db2.gz HOCOBJQSXUAEET-ZDUSSCGKSA-N -1 3 369.505 0.457 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]CC1(O)CCC(F)(F)CC1)[C@H]1CCOC1 ZINC000660072090 493321609 /nfs/dbraw/zinc/32/16/09/493321609.db2.gz RREZTXRZMBHWEK-RYUDHWBXSA-N -1 3 357.419 0.898 10 0 FCAEHM CCn1ccc(C[N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)n1 ZINC000668297752 493329114 /nfs/dbraw/zinc/32/91/14/493329114.db2.gz WIESONVWRWHWQN-UHFFFAOYSA-N -1 3 355.441 0.711 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1ccc(F)c(S(N)(=O)=O)c1 ZINC000660164712 493332296 /nfs/dbraw/zinc/33/22/96/493332296.db2.gz RHEYCVLAGPXWFN-UHFFFAOYSA-N -1 3 363.392 0.556 10 0 FCAEHM O=C(c1noc(-c2cccc(F)c2)n1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000684077045 493391886 /nfs/dbraw/zinc/39/18/86/493391886.db2.gz DROAXJHFYBCLMZ-INIZCTEOSA-N -1 3 359.317 0.690 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCOC[C@H]2C(F)(F)F)c(C)o1 ZINC000674361773 493410452 /nfs/dbraw/zinc/41/04/52/493410452.db2.gz TWXKGNQSBHNCSH-VIFPVBQESA-N -1 3 356.322 0.899 10 0 FCAEHM CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)c2cc(=O)c3ccccc3[n-]2)C1=O ZINC000674578003 493430101 /nfs/dbraw/zinc/43/01/01/493430101.db2.gz BLKMUYZMIABLET-WYRIXSBYSA-N -1 3 368.393 0.978 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CC(CC(F)(F)F)C2)cn1C ZINC000675377606 493479113 /nfs/dbraw/zinc/47/91/13/493479113.db2.gz GBWNZYYABASRKE-UHFFFAOYSA-N -1 3 354.354 0.418 10 0 FCAEHM C[C@@H](C(=O)NCCc1ccc(F)cc1)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662220532 493497174 /nfs/dbraw/zinc/49/71/74/493497174.db2.gz LWIKZYXYHNSBCG-WPKBUWHJSA-N -1 3 350.390 0.906 10 0 FCAEHM O=C([O-])[C@]12COC[C@H]1CN(CC(=O)NCCOc1cccc(Cl)c1)C2 ZINC000662220317 493497365 /nfs/dbraw/zinc/49/73/65/493497365.db2.gz VQLRVCIOIXPLRJ-SJKOYZFVSA-N -1 3 368.817 0.868 10 0 FCAEHM CCN(CC)CCS(=O)(=O)[N-][C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000685593242 493504708 /nfs/dbraw/zinc/50/47/08/493504708.db2.gz XRLSGOYYKJUPPM-TZMCWYRMSA-N -1 3 357.480 0.175 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CC(CC(F)(F)F)C1 ZINC000685784924 493515224 /nfs/dbraw/zinc/51/52/24/493515224.db2.gz LMMAOZAHJDHWBB-UHFFFAOYSA-N -1 3 355.338 0.981 10 0 FCAEHM CNS(=O)(=O)c1cc(NC(=O)c2cn[n-]c2[C@H]2CC[NH2+]C2)ccc1[O-] ZINC000662541435 493525042 /nfs/dbraw/zinc/52/50/42/493525042.db2.gz GBISHCMDOAJCHX-VIFPVBQESA-N -1 3 365.415 0.353 10 0 FCAEHM NCc1cc(=O)[n-]c(CNC(=O)c2ccc3[nH]c(=O)n(C4CC4)c3c2)n1 ZINC000662749023 493537231 /nfs/dbraw/zinc/53/72/31/493537231.db2.gz HZMCMNOERMOXCS-UHFFFAOYSA-N -1 3 354.370 0.961 10 0 FCAEHM NCc1cc(=O)[n-]c(CNC(=O)C2(C(=O)Nc3ccc(F)cc3)CC2)n1 ZINC000662752900 493537909 /nfs/dbraw/zinc/53/79/09/493537909.db2.gz VHBPNGLJFWPPEZ-UHFFFAOYSA-N -1 3 359.361 0.815 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)NCCC[C@@H]2CCCC[C@@H]2O)c1 ZINC000676400583 493549442 /nfs/dbraw/zinc/54/94/42/493549442.db2.gz RDOVNHBGAFKMME-STQMWFEESA-N -1 3 358.464 0.146 10 0 FCAEHM CCN1CC[C@H](NC(=O)c2cc(C3CC3)nc3c2c(=O)[n-]c(=O)n3C)C1=O ZINC000670172026 493550073 /nfs/dbraw/zinc/55/00/73/493550073.db2.gz ZUGMAELMROGUGQ-NSHDSACASA-N -1 3 371.397 0.262 10 0 FCAEHM CCn1c(=O)[n-]c(=O)c2c(C(=O)NC[C@H](O)COC)cc(C3CC3)nc21 ZINC000676533909 493556913 /nfs/dbraw/zinc/55/69/13/493556913.db2.gz LHFLGIIRGXCDJQ-JTQLQIEISA-N -1 3 362.386 0.132 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCc2c[nH]nc2C1 ZINC000676786022 493571239 /nfs/dbraw/zinc/57/12/39/493571239.db2.gz COZWURDPUMVFHD-JTQLQIEISA-N -1 3 352.391 0.801 10 0 FCAEHM C[C@@H](CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1)N1CCC(C)CC1 ZINC000663620971 493605171 /nfs/dbraw/zinc/60/51/71/493605171.db2.gz SRLIAOCPVDQNDM-DZGCQCFKSA-N -1 3 353.463 0.840 10 0 FCAEHM CC[C@H]1CCCCN1CCNC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663624150 493605969 /nfs/dbraw/zinc/60/59/69/493605969.db2.gz ORBMSAUCJOXWDI-LSDHHAIUSA-N -1 3 353.463 0.984 10 0 FCAEHM CC(C)(C)N1CCCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CC1 ZINC000663633450 493608017 /nfs/dbraw/zinc/60/80/17/493608017.db2.gz HOUJIGCOSCNHKY-CQSZACIVSA-N -1 3 353.463 0.936 10 0 FCAEHM C[C@@]12COC[C@H]1CN(C(=O)NCc1ccc([C@@]3(C)NC(=O)[N-]C3=O)cc1)C2 ZINC000663918816 493625703 /nfs/dbraw/zinc/62/57/03/493625703.db2.gz FLTJOTWRAPRCJT-NIKGAXFTSA-N -1 3 372.425 0.919 10 0 FCAEHM CS(=O)(=O)CC1(CCNC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)CC1 ZINC000664302022 493651464 /nfs/dbraw/zinc/65/14/64/493651464.db2.gz YURLMRWTSIKFAY-UHFFFAOYSA-N -1 3 365.411 0.907 10 0 FCAEHM O[C@@H]1C[C@H](N=c2cc(N[C@@H]3C[C@H](O)C34CCC4)n3[n-]cnc3n2)C12CCC2 ZINC000664466743 493661509 /nfs/dbraw/zinc/66/15/09/493661509.db2.gz NLPCORLUNVQGQQ-DGAVXFQQSA-N -1 3 370.457 0.977 10 0 FCAEHM C[C@@H]1CN(C(=O)NCC[N-]S(=O)(=O)c2cccs2)C[C@H](C)[C@H]1O ZINC000664503251 493664601 /nfs/dbraw/zinc/66/46/01/493664601.db2.gz RPIKFLMYKSTDAE-PJXYFTJBSA-N -1 3 361.489 0.685 10 0 FCAEHM c1nnnn1C1(Cc2nc(-c3ccc4n[n-]nc4c3)no2)CCOCC1 ZINC000664879166 493688199 /nfs/dbraw/zinc/68/81/99/493688199.db2.gz VKWWGCCYYDGHJJ-UHFFFAOYSA-N -1 3 353.346 0.743 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@H](CO)C1CCOCC1 ZINC000679899201 493700209 /nfs/dbraw/zinc/70/02/09/493700209.db2.gz CJPFWBNSOJUJGT-SMDDNHRTSA-N -1 3 374.434 0.396 10 0 FCAEHM CN(C)S(=O)(=O)c1cccc([N-]C(=O)c2nnn(C(C)(C)C)n2)c1 ZINC000665117000 493700914 /nfs/dbraw/zinc/70/09/14/493700914.db2.gz BBKXVOJNSQNZBM-UHFFFAOYSA-N -1 3 352.420 0.931 10 0 FCAEHM Cc1nc(S(=O)(=O)N2CCC[C@@H]2C[C@@]2(C)NC(=O)[N-]C2=O)sc1C ZINC000671698442 493703192 /nfs/dbraw/zinc/70/31/92/493703192.db2.gz DDBXZALDCZECEM-QMTHXVAHSA-N -1 3 372.472 0.901 10 0 FCAEHM COC[C@](C)(CO)NC(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000681078324 493744150 /nfs/dbraw/zinc/74/41/50/493744150.db2.gz KDDJCBBIMCKKME-AWEZNQCLSA-N -1 3 366.386 0.147 10 0 FCAEHM Cn1nnnc1CC[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000672393388 493762359 /nfs/dbraw/zinc/76/23/59/493762359.db2.gz YEDBRSAZFXHAGU-UHFFFAOYSA-N -1 3 369.300 0.769 10 0 FCAEHM CS(=O)(=O)N1CC(C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)C1 ZINC000672403146 493762697 /nfs/dbraw/zinc/76/26/97/493762697.db2.gz CGSBOTKVSXXVEN-UHFFFAOYSA-N -1 3 373.378 0.270 10 0 FCAEHM CN(C)c1nc(CN(C)[C@H]2CCN(C(=O)[C@@H]3CCCOC3)C2)cc(=O)[n-]1 ZINC000276647979 522334646 /nfs/dbraw/zinc/33/46/46/522334646.db2.gz YAPCWLGWGKOPNY-HIFRSBDPSA-N -1 3 363.462 0.708 10 0 FCAEHM CCOC(=O)C1(C(=O)NCCNC(=O)c2ccc([O-])cc2)CCOCC1 ZINC000436546125 535563375 /nfs/dbraw/zinc/56/33/75/535563375.db2.gz OZHFNGXULAAUAC-UHFFFAOYSA-N -1 3 364.398 0.598 10 0 FCAEHM COC[C@@](C)(O)CCNC(=O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000452339504 536808940 /nfs/dbraw/zinc/80/89/40/536808940.db2.gz MKZHBDAAWVOCAI-HNNXBMFYSA-N -1 3 362.423 0.398 10 0 FCAEHM COc1ccc2c(c1)[n-]cc(C(=O)N[C@H]1CCCS(=O)(=O)C1)c2=O ZINC000439255866 537014794 /nfs/dbraw/zinc/01/47/94/537014794.db2.gz CWOSDGTUVYLJPR-JTQLQIEISA-N -1 3 350.396 0.844 10 0 FCAEHM O=C1[N-]C(=O)[C@]2(CCN(S(=O)(=O)CCCOCc3ccccc3)C2)N1 ZINC000310957125 546577005 /nfs/dbraw/zinc/57/70/05/546577005.db2.gz CQWIUZJUHGHZKV-MRXNPFEDSA-N -1 3 367.427 0.207 10 0 FCAEHM C[C@H]1CCN(S(=O)(=O)[N-][C@@H](C(=O)OC(C)(C)C)c2ccnn2C)C1 ZINC000592106234 546608171 /nfs/dbraw/zinc/60/81/71/546608171.db2.gz SSWAPXLMBVRLDW-WCQYABFASA-N -1 3 358.464 0.979 10 0 FCAEHM COC(=O)Cn1cc(S(=O)(=O)[N-]c2cc3c([nH]c2=O)CCCC3)cn1 ZINC000593286176 546698431 /nfs/dbraw/zinc/69/84/31/546698431.db2.gz WXKPKOAWHIWKDR-UHFFFAOYSA-N -1 3 366.399 0.836 10 0 FCAEHM O=[S@@]1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000593662569 546731307 /nfs/dbraw/zinc/73/13/07/546731307.db2.gz YMVWMRYIBJFZIR-YANNEJOOSA-N -1 3 373.847 0.414 10 0 FCAEHM O=[S@@]1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000593662569 546731313 /nfs/dbraw/zinc/73/13/13/546731313.db2.gz YMVWMRYIBJFZIR-YANNEJOOSA-N -1 3 373.847 0.414 10 0 FCAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CC[C@@]1(O)CCOC1 ZINC000593638176 546732951 /nfs/dbraw/zinc/73/29/51/546732951.db2.gz YZZARSYNGGVTQZ-GXSJLCMTSA-N -1 3 363.354 0.331 10 0 FCAEHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1C[C@H](O)C[C@H]1COC ZINC000593688480 546737087 /nfs/dbraw/zinc/73/70/87/546737087.db2.gz JFFVNRQWFOKODD-VHSXEESVSA-N -1 3 356.400 0.472 10 0 FCAEHM COc1cccc(S([O-])=CC(=O)N2CCN(CCN(C)C)C(=O)C2)c1 ZINC000593784081 546755798 /nfs/dbraw/zinc/75/57/98/546755798.db2.gz HRJVUOIMPPKJJN-VWLOTQADSA-N -1 3 367.471 0.035 10 0 FCAEHM COC(=O)c1sc2[n-]c(CN3CCn4nncc4C3)nc(=O)c2c1C ZINC000594024362 546772600 /nfs/dbraw/zinc/77/26/00/546772600.db2.gz SQANDKVFZWYZPI-UHFFFAOYSA-N -1 3 360.399 0.687 10 0 FCAEHM COCCN(C)S(=O)(=O)[N-][C@@H](Cc1ccncc1)C(=O)OC(C)(C)C ZINC000594491978 546797638 /nfs/dbraw/zinc/79/76/38/546797638.db2.gz VAYCMXIQDPZYCO-AWEZNQCLSA-N -1 3 373.475 0.747 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)N2CCCc3ccc(C(N)=O)nc32)c[n-]1 ZINC000594726467 546818800 /nfs/dbraw/zinc/81/88/00/546818800.db2.gz GROUDDPLJLJASL-UHFFFAOYSA-N -1 3 364.383 0.437 10 0 FCAEHM COC(=O)[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000594766851 546821544 /nfs/dbraw/zinc/82/15/44/546821544.db2.gz DOXGETZEZDYQAN-SECBINFHSA-N -1 3 372.624 0.915 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](OC)[C@H]2CCOC2)cc1F ZINC000594802328 546827590 /nfs/dbraw/zinc/82/75/90/546827590.db2.gz NMKFLUDMFBNUFI-HZMBPMFUSA-N -1 3 361.391 0.942 10 0 FCAEHM COC(=O)c1ncccc1S(=O)(=O)[N-][C@H](CO)[C@@H]1CCC[C@@H](OC)C1 ZINC000594806490 546828732 /nfs/dbraw/zinc/82/87/32/546828732.db2.gz CELWSPJJFURXHH-JHJVBQTASA-N -1 3 372.443 0.713 10 0 FCAEHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C[C@@H](OC)[C@@H]1CCOC1 ZINC000594805571 546828912 /nfs/dbraw/zinc/82/89/12/546828912.db2.gz ZTSTYPKMPQPXSH-ZWNOBZJWSA-N -1 3 361.391 0.942 10 0 FCAEHM CCOC(=O)[C@@H](Cc1ccccn1)[N-]S(=O)(=O)N1CCC(OC)CC1 ZINC000594777441 546832812 /nfs/dbraw/zinc/83/28/12/546832812.db2.gz ALBZCHJCIAGPJW-OAHLLOKOSA-N -1 3 371.459 0.501 10 0 FCAEHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H]1CCO[C@H]1C(=O)OC ZINC000594824146 546837220 /nfs/dbraw/zinc/83/72/20/546837220.db2.gz GQZVEBWAOIOAKF-DTWKUNHWSA-N -1 3 363.413 0.452 10 0 FCAEHM COCc1nc(C[N-]S(=O)(=O)c2cc(C(=O)OC)cc(F)c2C)n[nH]1 ZINC000594826775 546838297 /nfs/dbraw/zinc/83/82/97/546838297.db2.gz DEVIOWAQWKXBKW-UHFFFAOYSA-N -1 3 372.378 0.664 10 0 FCAEHM COCc1nc(C[N-]S(=O)(=O)c2cccc(Cl)c2C(=O)OC)n[nH]1 ZINC000594826938 546838682 /nfs/dbraw/zinc/83/86/82/546838682.db2.gz GCMZKSJABFWIQB-UHFFFAOYSA-N -1 3 374.806 0.870 10 0 FCAEHM COCc1nc(C[N-]S(=O)(=O)c2ccc(C(=O)OC)cc2Cl)n[nH]1 ZINC000594827381 546838813 /nfs/dbraw/zinc/83/88/13/546838813.db2.gz HTAAOUNGMNGMBS-UHFFFAOYSA-N -1 3 374.806 0.870 10 0 FCAEHM CCc1nsc(N2CCN(C(=O)c3cc(=O)[n-]c(N(C)C)n3)CC2)n1 ZINC000546619876 547043828 /nfs/dbraw/zinc/04/38/28/547043828.db2.gz PDYWHOKXFQLHNB-UHFFFAOYSA-N -1 3 363.447 0.625 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1cnc2c(Br)cccn12 ZINC000552297050 547198771 /nfs/dbraw/zinc/19/87/71/547198771.db2.gz ZVYYCHMYOLYEFO-ZETCQYMHSA-N -1 3 352.148 0.633 10 0 FCAEHM COC(=O)c1ccc(C[N-]S(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)o1 ZINC000553196670 547259373 /nfs/dbraw/zinc/25/93/73/547259373.db2.gz YXXLZCAJCIEODC-UHFFFAOYSA-N -1 3 369.399 0.585 10 0 FCAEHM O=C(Cc1cccs1)N1CCC[C@H]1C(=O)NCCCc1c[n-][nH]c1=O ZINC000898735382 665906141 /nfs/dbraw/zinc/90/61/41/665906141.db2.gz URLNRSCYWFKVDS-OCCSQVGLSA-N -1 3 362.455 0.910 10 0 FCAEHM CCOC(=O)C1(S(=O)(=O)[N-]CC2(O)Cc3ccccc3C2)CCC1 ZINC000866848865 663142562 /nfs/dbraw/zinc/14/25/62/663142562.db2.gz QHAGDNQQRQZWDJ-UHFFFAOYSA-N -1 3 353.440 0.922 10 0 FCAEHM COC(=O)CSCCC(=O)N1CCN(c2nc(C)cc(=O)[n-]2)CC1 ZINC000924300159 663188905 /nfs/dbraw/zinc/18/89/05/663188905.db2.gz ANOAXJLKZNPNCK-UHFFFAOYSA-N -1 3 354.432 0.436 10 0 FCAEHM CN1C[C@@H](NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CCC1=O ZINC000737687524 663549337 /nfs/dbraw/zinc/54/93/37/663549337.db2.gz YESVYAPAHIMXGB-LBPRGKRZSA-N -1 3 369.418 0.617 10 0 FCAEHM Cc1ccc(C(=O)NCCc2nc(CCS(C)(=O)=O)no2)c([O-])c1 ZINC000904883968 665993299 /nfs/dbraw/zinc/99/32/99/665993299.db2.gz OUMKBVVMZNKEAM-UHFFFAOYSA-N -1 3 353.400 0.643 10 0 FCAEHM CS(=O)(=O)N1CCCC[C@H]1CNC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436684458 665994132 /nfs/dbraw/zinc/99/41/32/665994132.db2.gz ARXSPHUNEQNUGJ-JTQLQIEISA-N -1 3 356.400 0.665 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@H]2C[C@@H](N3CCOCC3)C2(C)C)nc1Cl ZINC000867451898 664290459 /nfs/dbraw/zinc/29/04/59/664290459.db2.gz OIKSUWZQFGXULM-WDEREUQCSA-N -1 3 362.883 0.851 10 0 FCAEHM O=C([C@H]1CCCN1C(=O)c1ccccc1[O-])N1CC2(C1)CS(=O)(=O)C2 ZINC000910701199 666268866 /nfs/dbraw/zinc/26/88/66/666268866.db2.gz RJOOFBVUAAGRLI-CYBMUJFWSA-N -1 3 364.423 0.254 10 0 FCAEHM CS(=O)(=O)CC1(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)COC1 ZINC000912259456 666397397 /nfs/dbraw/zinc/39/73/97/666397397.db2.gz UYZVOKSSWJTIOG-UHFFFAOYSA-N -1 3 353.318 0.954 10 0 FCAEHM CCN1CCC[C@@H]([N-]S(=O)(=O)c2cn(C)nc2Br)C1=O ZINC000921489795 666454216 /nfs/dbraw/zinc/45/42/16/666454216.db2.gz RCFBWIXFVBKRFP-MRVPVSSYSA-N -1 3 365.253 0.472 10 0 FCAEHM CN1CCOC[C@]1(CO)C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000921339591 666437108 /nfs/dbraw/zinc/43/71/08/666437108.db2.gz ICVPWTWOXCMASQ-CYBMUJFWSA-N -1 3 354.350 0.075 10 0 FCAEHM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N[C@@]2(C)CN3CCC2CC3)c1 ZINC000912375020 666437652 /nfs/dbraw/zinc/43/76/52/666437652.db2.gz CVMCZGDDFZLHIY-KRWDZBQOSA-N -1 3 367.471 0.857 10 0 FCAEHM COC(=O)c1nscc1S(=O)(=O)[N-]C[C@]1(OC)CCSC1 ZINC000921403014 666443699 /nfs/dbraw/zinc/44/36/99/666443699.db2.gz MRSHYJGFRATNDE-LLVKDONJSA-N -1 3 352.459 0.730 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000912468762 666444111 /nfs/dbraw/zinc/44/41/11/666444111.db2.gz GWKSXVPQIODJQR-OLZOCXBDSA-N -1 3 352.460 0.706 10 0 FCAEHM CO[C@@]1(C[N-]S(=O)(=O)c2cc(F)c(C)cc2F)CCS(=O)(=O)C1 ZINC000921465243 666448653 /nfs/dbraw/zinc/44/86/53/666448653.db2.gz BLGCVXQWFRTTHF-CYBMUJFWSA-N -1 3 369.411 0.755 10 0 FCAEHM CO[C@@]1(C[N-]S(=O)(=O)Cc2c(F)cccc2F)CCS(=O)(=O)C1 ZINC000921467230 666449987 /nfs/dbraw/zinc/44/99/87/666449987.db2.gz QWUOLTODAYECIR-CYBMUJFWSA-N -1 3 369.411 0.588 10 0 FCAEHM COc1cccc([O-])c1C(=O)NC[C@]1(CO)COCC2(CCC2)N1C ZINC000912992861 666490470 /nfs/dbraw/zinc/49/04/70/666490470.db2.gz NKMDOTCZFZGDNX-SFHVURJKSA-N -1 3 350.415 0.746 10 0 FCAEHM CNC(=O)[C@@H](O)C[N-]S(=O)(=O)Cc1cccc(F)c1Br ZINC000914431076 666756874 /nfs/dbraw/zinc/75/68/74/666756874.db2.gz VBXXUFJSJBSZDA-VIFPVBQESA-N -1 3 369.212 0.115 10 0 FCAEHM CS(=O)(=O)NCCOC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000730604054 666775599 /nfs/dbraw/zinc/77/55/99/666775599.db2.gz CISHMLOOQQVEAR-LBPRGKRZSA-N -1 3 356.400 0.089 10 0 FCAEHM CC[S@](=O)CCNC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000735109928 667004722 /nfs/dbraw/zinc/00/47/22/667004722.db2.gz HIBZJYGGUNCBRH-DEOSSOPVSA-N -1 3 353.444 0.628 10 0 FCAEHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@@H]2CN3CCN2CCC3)c1 ZINC000917050664 667046764 /nfs/dbraw/zinc/04/67/64/667046764.db2.gz IHDHTJONYPLIBW-CYBMUJFWSA-N -1 3 371.434 0.281 10 0 FCAEHM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-][C@@H]1CCCCC1(OC)OC ZINC000918055774 667098553 /nfs/dbraw/zinc/09/85/53/667098553.db2.gz MDUVRXUYJIISPA-CHWSQXEVSA-N -1 3 364.464 0.780 10 0 FCAEHM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-][C@H]1CCCCC1(OC)OC ZINC000918055777 667098577 /nfs/dbraw/zinc/09/85/77/667098577.db2.gz MDUVRXUYJIISPA-STQMWFEESA-N -1 3 364.464 0.780 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F)[C@@H]1CN(C)CCN1C ZINC000919973612 667210352 /nfs/dbraw/zinc/21/03/52/667210352.db2.gz BZSAGINZMYFABC-ZJUUUORDSA-N -1 3 369.413 0.352 10 0 FCAEHM CCN(C(=O)C[N-]S(=O)(=O)[C@@H]1CC(=O)N(CC)C1)c1ccccc1 ZINC000921002834 667262479 /nfs/dbraw/zinc/26/24/79/667262479.db2.gz KKBGNHQWUYFBRJ-CQSZACIVSA-N -1 3 353.444 0.580 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-]Cc2nc(CN(C)C)cs2)CCC1 ZINC000921092201 667267791 /nfs/dbraw/zinc/26/77/91/667267791.db2.gz DBHFJGHNTMVTKR-UHFFFAOYSA-N -1 3 361.489 0.967 10 0 FCAEHM COC(=O)c1cnc(C[N-]S(=O)(=O)CCOCC(F)(F)F)s1 ZINC000921196656 667271091 /nfs/dbraw/zinc/27/10/91/667271091.db2.gz WMOYOOYKYHIMKN-UHFFFAOYSA-N -1 3 362.351 0.928 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCC(=O)NC2CCCCC2)ccc1F ZINC000752519683 667520125 /nfs/dbraw/zinc/52/01/25/667520125.db2.gz XRRWCTIVBNKVQC-UHFFFAOYSA-N -1 3 371.434 0.913 10 0 FCAEHM O=S(=O)([N-]CCO[C@H]1CCOC1)c1cccc(Br)n1 ZINC000921882421 667531834 /nfs/dbraw/zinc/53/18/34/667531834.db2.gz NMSDNVUUCOXHEZ-VIFPVBQESA-N -1 3 351.222 0.928 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CCO[C@@H]2CCOC2)c(Br)n1 ZINC000921883890 667532085 /nfs/dbraw/zinc/53/20/85/667532085.db2.gz YWUMINZCHLLIKC-MRVPVSSYSA-N -1 3 354.226 0.266 10 0 FCAEHM CS[C@H](CO)[C@@H](C)[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867018680 667728144 /nfs/dbraw/zinc/72/81/44/667728144.db2.gz WHQZOVMLDLWKHO-RNFRBKRXSA-N -1 3 358.283 0.573 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)OCc1cnn(-c2ccccc2)n1 ZINC000758351774 667755451 /nfs/dbraw/zinc/75/54/51/667755451.db2.gz SCZFMKXCQFCDMX-UHFFFAOYSA-N -1 3 368.415 0.266 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]C[C@@H](Cc2ccc(F)cc2)C(N)=O)nc1Cl ZINC000760857994 667866944 /nfs/dbraw/zinc/86/69/44/667866944.db2.gz NNJLDBRLERMSKJ-SNVBAGLBSA-N -1 3 374.825 0.835 10 0 FCAEHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(N)=O)C2)c1 ZINC000738406762 667918796 /nfs/dbraw/zinc/91/87/96/667918796.db2.gz BBBMBKKOLSNAKI-KOLCDFICSA-N -1 3 358.391 0.935 10 0 FCAEHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)O[C@H]2CC(=O)N(C)C2)cc1 ZINC000764738086 667992274 /nfs/dbraw/zinc/99/22/74/667992274.db2.gz MQBDGTVKZZPORA-AWEZNQCLSA-N -1 3 370.427 0.989 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@](C)(O)C(=O)OC(C)(C)C ZINC000765945262 668017387 /nfs/dbraw/zinc/01/73/87/668017387.db2.gz MKNJFAZMJQLEOZ-ZDUSSCGKSA-N -1 3 367.855 0.753 10 0 FCAEHM C[C@@H](CO)COC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000766702794 668034450 /nfs/dbraw/zinc/03/44/50/668034450.db2.gz ATQGOKPOALYUKL-ZETCQYMHSA-N -1 3 372.262 0.961 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)OCc1ccc2c(c1)OCCO2 ZINC000767375063 668050890 /nfs/dbraw/zinc/05/08/90/668050890.db2.gz RIGLOURXKVMIDO-UHFFFAOYSA-N -1 3 359.400 0.457 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC(OCCCO)CC2)ccc1F ZINC000769201237 668121366 /nfs/dbraw/zinc/12/13/66/668121366.db2.gz ZKMDCSQUJWXLLL-UHFFFAOYSA-N -1 3 374.434 0.737 10 0 FCAEHM COC(=O)[C@@H](OC(=O)c1ccc(S(=O)(=O)[N-]CCO)s1)C1CC1 ZINC000772159870 668291917 /nfs/dbraw/zinc/29/19/17/668291917.db2.gz RUWHPVQITCMDNV-NSHDSACASA-N -1 3 363.413 0.127 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NCCc2nnnn2C)ccc1F ZINC000772180510 668292688 /nfs/dbraw/zinc/29/26/88/668292688.db2.gz ZZFNIWPRLNVRSQ-UHFFFAOYSA-N -1 3 370.410 0.008 10 0 FCAEHM CC[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C(=O)NC)cc1)N(CC)CC ZINC000778707446 668383346 /nfs/dbraw/zinc/38/33/46/668383346.db2.gz RYKPTVCAXPYONK-AWEZNQCLSA-N -1 3 355.460 0.972 10 0 FCAEHM Cc1c(Cl)cc(F)c(NC(=O)C(=O)[N-]N2CC(=O)N(C)C2=O)c1F ZINC000785304991 668704689 /nfs/dbraw/zinc/70/46/89/668704689.db2.gz PTMVJMXVWFXOEU-UHFFFAOYSA-N -1 3 360.704 0.790 10 0 FCAEHM Cn1nncc1S(=O)(=O)[N-]C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000805924569 668877034 /nfs/dbraw/zinc/87/70/34/668877034.db2.gz JSSYTWLFOYILTF-UHFFFAOYSA-N -1 3 363.443 0.532 10 0 FCAEHM COc1ncc(S(=O)(=O)[N-][C@H]2CCCN(c3ncccn3)C2)s1 ZINC000820786498 669126482 /nfs/dbraw/zinc/12/64/82/669126482.db2.gz KLBNZJKBTPAASB-JTQLQIEISA-N -1 3 355.445 0.889 10 0 FCAEHM O=C([C@@H]1CC[C@H](CN2CCOCC2)O1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000823803626 669361072 /nfs/dbraw/zinc/36/10/72/669361072.db2.gz DZGBADIWAJRYOS-NFAWXSAZSA-N -1 3 350.419 0.311 10 0 FCAEHM COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)c2cc(=O)[n-]c(N(C)C)n2)C1 ZINC000804369513 669378108 /nfs/dbraw/zinc/37/81/08/669378108.db2.gz UHPOFEVRRWJRRH-CYBMUJFWSA-N -1 3 362.308 0.816 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CC(C)(C)[C@]1(O)CCOC1 ZINC000828097906 669616277 /nfs/dbraw/zinc/61/62/77/669616277.db2.gz DKMLJEFDLLPPKX-ZDUSSCGKSA-N -1 3 351.856 0.838 10 0 FCAEHM O=C(OCCC[C@H]1CCOC1)c1ccc(S(=O)(=O)[N-]CCO)s1 ZINC000828872785 669674025 /nfs/dbraw/zinc/67/40/25/669674025.db2.gz YSCIXLQJGKMUJL-NSHDSACASA-N -1 3 363.457 0.992 10 0 FCAEHM O=S(=O)([N-]C[C@@H]1CS(=O)(=O)c2ccccc21)c1c[nH]nc1Cl ZINC000831729501 669864455 /nfs/dbraw/zinc/86/44/55/669864455.db2.gz VZRPUAKBIGSGCA-MRVPVSSYSA-N -1 3 361.832 0.913 10 0 FCAEHM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC[C@H]1CCCCN1CCO ZINC000833559328 669935168 /nfs/dbraw/zinc/93/51/68/669935168.db2.gz NGEHCRDYAJZOSQ-NEPJUHHUSA-N -1 3 353.385 0.653 10 0 FCAEHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cn(C)nc2Br)[C@@H]1OC ZINC000867107197 669941757 /nfs/dbraw/zinc/94/17/57/669941757.db2.gz RUSCUUFGFWGMFZ-XKSSXDPKSA-N -1 3 368.253 0.653 10 0 FCAEHM CNC(=O)[C@@H]1CCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)C1 ZINC000817471599 670014309 /nfs/dbraw/zinc/01/43/09/670014309.db2.gz YQXSOXDRZTXRAP-GFCCVEGCSA-N -1 3 371.434 0.721 10 0 FCAEHM CO[C@H](C)C[N-]S(=O)(=O)c1cnn(C)c1I ZINC000867158663 670029415 /nfs/dbraw/zinc/02/94/15/670029415.db2.gz IPHKQIKOZVXAFY-ZCFIWIBFSA-N -1 3 359.189 0.338 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-]CCCCCO)c1I ZINC000867209553 670075175 /nfs/dbraw/zinc/07/51/75/670075175.db2.gz RRZUFNKJSGUMJS-UHFFFAOYSA-N -1 3 373.216 0.466 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCN(C(=O)N3CCCC3)C2)nn1 ZINC000867259709 670548113 /nfs/dbraw/zinc/54/81/13/670548113.db2.gz OTZZNCJYRLNIMJ-CYBMUJFWSA-N -1 3 353.448 0.744 10 0 FCAEHM O=S(=O)(CC[N-]S(=O)(=O)c1cnccc1C(F)(F)F)C1CC1 ZINC000841557687 670593725 /nfs/dbraw/zinc/59/37/25/670593725.db2.gz MUFUJUPTVLPPRR-UHFFFAOYSA-N -1 3 358.363 0.956 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CC1(CS(C)(=O)=O)CCC1 ZINC000841567335 670596299 /nfs/dbraw/zinc/59/62/99/670596299.db2.gz RRFSDPNRJQLMJN-UHFFFAOYSA-N -1 3 369.896 0.875 10 0 FCAEHM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000844036193 670886060 /nfs/dbraw/zinc/88/60/60/670886060.db2.gz QGYQSIPVTDZGGX-MNOVXSKESA-N -1 3 366.384 0.268 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CCOC(=O)C2CC2)c(Br)n1 ZINC000867380245 670967346 /nfs/dbraw/zinc/96/73/46/670967346.db2.gz DWNQGCUILLPHJL-UHFFFAOYSA-N -1 3 352.210 0.414 10 0 FCAEHM CCON(C)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC ZINC000846004565 671066257 /nfs/dbraw/zinc/06/62/57/671066257.db2.gz PAOJGTIYSMLYDB-UHFFFAOYSA-N -1 3 365.795 0.210 10 0 FCAEHM CO[C@@H](C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)[C@@H]1CCOC1 ZINC000847098105 671171695 /nfs/dbraw/zinc/17/16/95/671171695.db2.gz KLACLGRTKYKHQK-VXGBXAGGSA-N -1 3 352.353 0.955 10 0 FCAEHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@@H]2CCC(=O)N(C)C2)c1 ZINC000848437782 671275089 /nfs/dbraw/zinc/27/50/89/671275089.db2.gz MSKWGBVCHOJSSO-LLVKDONJSA-N -1 3 358.391 0.820 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CC[S@](=O)CC(F)(F)F ZINC000849421655 671341180 /nfs/dbraw/zinc/34/11/80/671341180.db2.gz UCIIQGQHUIEYSR-FQEVSTJZSA-N -1 3 367.802 0.971 10 0 FCAEHM COC(=O)[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000849432043 671342945 /nfs/dbraw/zinc/34/29/45/671342945.db2.gz RUBJLYIBHUNEMN-DTWKUNHWSA-N -1 3 355.199 0.997 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000849450987 671348152 /nfs/dbraw/zinc/34/81/52/671348152.db2.gz DPYYBRNBCGJILF-VXNVDRBHSA-N -1 3 355.869 0.626 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CCN2C[C@@H]3CCCCN3C2=O)nc1Cl ZINC000851834220 671472364 /nfs/dbraw/zinc/47/23/64/671472364.db2.gz UXFKLDGICUOZMI-JTQLQIEISA-N -1 3 361.855 0.642 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCCO[C@@H]2CC2(F)F)ccc1F ZINC000855609418 671655712 /nfs/dbraw/zinc/65/57/12/671655712.db2.gz YZDARHUXRRENGK-LLVKDONJSA-N -1 3 352.334 0.888 10 0 FCAEHM CC[C@H](O)CC(=O)NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1 ZINC000856334102 671683830 /nfs/dbraw/zinc/68/38/30/671683830.db2.gz KFMRDCWMCWSSEZ-NSHDSACASA-N -1 3 354.407 0.984 10 0 FCAEHM Cc1cc(S(=O)(=O)[N-]CC[C@@H]2CNCCS2(=O)=O)sc1Cl ZINC000903539456 675940466 /nfs/dbraw/zinc/94/04/66/675940466.db2.gz IQWGFPSUGGKUTB-SECBINFHSA-N -1 3 372.921 0.765 10 0 FCAEHM CC1(C)C[C@@H](S(=O)(=O)[N-]N2C(=O)N[C@@](C)(c3ccccc3)C2=O)CO1 ZINC000859135433 671795738 /nfs/dbraw/zinc/79/57/38/671795738.db2.gz ULGRZACROKUMJE-WBMJQRKESA-N -1 3 367.427 0.856 10 0 FCAEHM CCOC(=O)C1=CC[C@@H]([N-]S(=O)(=O)c2csnc2C(=O)OC)C1 ZINC000859317309 671813804 /nfs/dbraw/zinc/81/38/04/671813804.db2.gz MNCHFIJMRZMJIM-SECBINFHSA-N -1 3 360.413 0.860 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)OCCOC1CCOCC1 ZINC000859461193 671828898 /nfs/dbraw/zinc/82/88/98/671828898.db2.gz IERFCYUNPPRZAG-UHFFFAOYSA-N -1 3 362.404 0.309 10 0 FCAEHM Cc1c([O-])ccc2c(CN3CCC(NS(N)(=O)=O)CC3)cc(=O)oc12 ZINC000859957394 671857753 /nfs/dbraw/zinc/85/77/53/671857753.db2.gz QMQSIIJNNPRUDV-UHFFFAOYSA-N -1 3 367.427 0.565 10 0 FCAEHM O=C(COC(=O)c1cn(C[C@H]2CCOC2)nn1)[N-]C(=O)c1cccs1 ZINC000860129279 671871949 /nfs/dbraw/zinc/87/19/49/671871949.db2.gz YHAJHNDDZJPCEW-SNVBAGLBSA-N -1 3 364.383 0.490 10 0 FCAEHM C[C@H](CS(=O)(=O)N(C)C)OC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000861148412 671941861 /nfs/dbraw/zinc/94/18/61/671941861.db2.gz BXQVVPSBVKYHSL-SNVBAGLBSA-N -1 3 364.445 0.495 10 0 FCAEHM CCOC(=O)C1=CC[C@@H](NC(=O)C[N-]S(=O)(=O)c2c(C)noc2C)C1 ZINC000863938476 672162825 /nfs/dbraw/zinc/16/28/25/672162825.db2.gz FAQOBMIIUAEMCI-GFCCVEGCSA-N -1 3 371.415 0.338 10 0 FCAEHM COCC[C@@H](C)[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866689630 672288489 /nfs/dbraw/zinc/28/84/89/672288489.db2.gz PBFQHOFSWXCVSZ-SSDOTTSWSA-N -1 3 373.216 0.728 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CCOC[C@H]2CCOC2)c(Br)n1 ZINC000866761560 672300165 /nfs/dbraw/zinc/30/01/65/672300165.db2.gz YKBCKLZJUCIGHM-VIFPVBQESA-N -1 3 368.253 0.514 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-][C@H]2CCC(=O)N(C)C2)c1Br ZINC000866824170 672313520 /nfs/dbraw/zinc/31/35/20/672313520.db2.gz RAOUEUBQAQKTBO-ZETCQYMHSA-N -1 3 351.226 0.082 10 0 FCAEHM CC[C@H](COC)[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866823497 672313754 /nfs/dbraw/zinc/31/37/54/672313754.db2.gz NSFSEHGOAGXWIL-SSDOTTSWSA-N -1 3 373.216 0.728 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]C[C@@H](O)c2ccco2)c(Br)n1 ZINC000866832190 672315425 /nfs/dbraw/zinc/31/54/25/672315425.db2.gz BJYSTLDBEMTSNV-SSDOTTSWSA-N -1 3 350.194 0.788 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CC[C@]2(O)CCCOC2)c(Br)n1 ZINC000867466009 672320758 /nfs/dbraw/zinc/32/07/58/672320758.db2.gz JNJBDTYBEJOQBM-LLVKDONJSA-N -1 3 368.253 0.393 10 0 FCAEHM COC(=O)[C@H]1C[C@H]([N-]S(=O)(=O)c2cn(C)nc2Br)C1 ZINC000867535296 672333185 /nfs/dbraw/zinc/33/31/85/672333185.db2.gz IGTRCXBSJBJZAK-LJGSYFOKSA-N -1 3 352.210 0.413 10 0 FCAEHM COC(=O)[C@@H](CCC1OCCO1)[N-]S(=O)(=O)CCc1cccs1 ZINC000867762525 672364635 /nfs/dbraw/zinc/36/46/35/672364635.db2.gz FCLFBHCDSPNZMB-GFCCVEGCSA-N -1 3 363.457 0.905 10 0 FCAEHM CN1CCO[C@H](CS(=O)(=O)[N-]Cc2ncc(Br)s2)C1 ZINC000867864187 672374813 /nfs/dbraw/zinc/37/48/13/672374813.db2.gz QBHKTZCRLDVAJB-QMMMGPOBSA-N -1 3 370.294 0.656 10 0 FCAEHM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000868332314 672394003 /nfs/dbraw/zinc/39/40/03/672394003.db2.gz DEPGKQRYESUGQV-CABCVRRESA-N -1 3 351.447 0.787 10 0 FCAEHM O=C([N-]C[C@@H]1CCCN(C(=O)C2(N3CCOCC3)CC2)C1)C(F)(F)F ZINC000868445235 672400852 /nfs/dbraw/zinc/40/08/52/672400852.db2.gz ZEGVMIRTVFUEIC-LBPRGKRZSA-N -1 3 363.380 0.768 10 0 FCAEHM O=S(=O)([N-]C[C@]1(C(F)(F)F)CCCN1)c1cnn2c1OCCC2 ZINC000923684144 673448195 /nfs/dbraw/zinc/44/81/95/673448195.db2.gz AUZFIAXNCFAPCQ-NSHDSACASA-N -1 3 354.354 0.628 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN3CCSC[C@H]23)o1 ZINC000928094450 673900278 /nfs/dbraw/zinc/90/02/78/673900278.db2.gz QFGOJGIZFCFAPG-WDEREUQCSA-N -1 3 359.473 0.497 10 0 FCAEHM CO[C@@H]1CCCN(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000928411114 673908952 /nfs/dbraw/zinc/90/89/52/673908952.db2.gz LWXVAEQXZYRBRD-SECBINFHSA-N -1 3 367.880 0.822 10 0 FCAEHM O=C(NCCc1c(F)cc([O-])cc1F)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000929750930 673975146 /nfs/dbraw/zinc/97/51/46/673975146.db2.gz ZIQMHJUEQKBHHX-JTQLQIEISA-N -1 3 353.369 0.682 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)OCc2nc(N(C)C)no2)ccc1F ZINC000801280805 675766854 /nfs/dbraw/zinc/76/68/54/675766854.db2.gz HRXNHXNMPLEMKP-UHFFFAOYSA-N -1 3 358.351 0.540 10 0 FCAEHM CCN1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)OC)C1=O ZINC000801713984 675803232 /nfs/dbraw/zinc/80/32/32/675803232.db2.gz MSLHXEYEFCAGIY-QMMMGPOBSA-N -1 3 361.807 0.421 10 0 FCAEHM CCN1CC[C@@H](NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)C1=O ZINC000801787417 675808132 /nfs/dbraw/zinc/80/81/32/675808132.db2.gz INVGMPOYOFLXFR-CYBMUJFWSA-N -1 3 371.434 0.863 10 0 FCAEHM COCCCNC(=O)C1CCN(Cc2nc3c(c(=O)[n-]2)COCC3)CC1 ZINC001167137629 1168381552 /nfs/dbraw/zinc/38/15/52/1168381552.db2.gz DNEBKDNMIXTUNK-UHFFFAOYSA-N -1 3 364.446 0.620 10 0 FCAEHM O=C([C@@H]1CC=CC[C@@H]1C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1)N1CCOCC1 ZINC000898220709 1192863060 /nfs/dbraw/zinc/86/30/60/1192863060.db2.gz FKXUPVJWYORLHU-KFWWJZLASA-N -1 3 374.441 0.872 10 0 FCAEHM CNC(=O)C1(C(=O)N2C[C@@H]3CN(C(=O)c4ccccc4[O-])C[C@]3(C)C2)CC1 ZINC001719676660 1179325649 /nfs/dbraw/zinc/32/56/49/1179325649.db2.gz AKNLAQQKOJUCAL-ORAYPTAESA-N -1 3 371.437 0.839 10 0 FCAEHM C[C@@H]1CN(C(=O)CCS(C)(=O)=O)C[C@H]1CNC(=O)c1ccccc1[O-] ZINC001719698241 1179483187 /nfs/dbraw/zinc/48/31/87/1179483187.db2.gz IVYZTDIWDWXFLW-CHWSQXEVSA-N -1 3 368.455 0.651 10 0 FCAEHM CN(C)c1nc(C(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)cc(=O)[n-]1 ZINC000549637874 1186575868 /nfs/dbraw/zinc/57/58/68/1186575868.db2.gz DFYYYXXOODUXIB-ZDUSSCGKSA-N -1 3 370.413 0.564 10 0 FCAEHM Cn1c(CCNC(=O)CN2CCN(Cc3ccccc3)CC2)n[n-]c1=S ZINC000067051269 1187472444 /nfs/dbraw/zinc/47/24/44/1187472444.db2.gz YOHOVWUAGJVKKA-UHFFFAOYSA-N -1 3 374.514 0.954 10 0 FCAEHM COc1ccccc1[C@@H]1C[C@H]1C(=O)NC/C=C/CNCc1nc(=O)n(C)[n-]1 ZINC001268601382 1187733172 /nfs/dbraw/zinc/73/31/72/1187733172.db2.gz URNLJCGXDQBLBP-ICWYTKJFSA-N -1 3 371.441 0.683 10 0 FCAEHM C[C@H](NC(=O)NCc1nc2c(c(=O)[n-]1)COCC2)[C@H](O)C(F)(F)F ZINC001687390598 1188338121 /nfs/dbraw/zinc/33/81/21/1188338121.db2.gz DCQBIPBWHAGYOC-WKEGUHRASA-N -1 3 350.297 0.366 10 0 FCAEHM CC1(C)CN(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)[C@@H]2COC[C@H]2O1 ZINC000898807343 1194078322 /nfs/dbraw/zinc/07/83/22/1194078322.db2.gz KZUWKESWNVEYRM-JHJVBQTASA-N -1 3 363.418 0.349 10 0 FCAEHM O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCCCc1c[n-][nH]c1=O ZINC001168403381 1196693927 /nfs/dbraw/zinc/69/39/27/1196693927.db2.gz HXIHXAPZQREPTN-LLVKDONJSA-N -1 3 357.370 0.120 10 0 FCAEHM Cn1c(C(=O)NCCCc2c[n-][nH]c2=O)cc2c1nc1ccccn1c2=O ZINC001168404820 1196728645 /nfs/dbraw/zinc/72/86/45/1196728645.db2.gz OQHNONMDAXTQBF-LLVKDONJSA-N -1 3 366.381 0.428 10 0 FCAEHM COC(=O)[C@H](CC(F)(F)F)[N-]S(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000914376212 1197527554 /nfs/dbraw/zinc/52/75/54/1197527554.db2.gz XOJISZLNFINVQD-JQWIXIFHSA-N -1 3 358.382 0.886 10 0 FCAEHM O=C(NCc1ncccc1[O-])C(=O)Nc1cccc(N2CCOC2=O)c1 ZINC000792412978 1201192209 /nfs/dbraw/zinc/19/22/09/1201192209.db2.gz JPQOWOOCPHSKAA-UHFFFAOYSA-N -1 3 356.338 0.999 10 0 FCAEHM O=C(NCc1nc(C(F)(F)F)n[n-]1)C(=O)Nc1cnc(CC2CC2)nc1 ZINC000793032817 1201223622 /nfs/dbraw/zinc/22/36/22/1201223622.db2.gz JTFIFFWVDHOIGG-UHFFFAOYSA-N -1 3 369.307 0.821 10 0 FCAEHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCc2cnn(C)n2)c1 ZINC000805214475 1201510602 /nfs/dbraw/zinc/51/06/02/1201510602.db2.gz FJSDQZVEEORHFH-UHFFFAOYSA-N -1 3 356.342 0.999 10 0 FCAEHM C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCCc3c(=O)[n-]cnc31)C2=O ZINC001132783841 1202967365 /nfs/dbraw/zinc/96/73/65/1202967365.db2.gz XQYDLRWAGYNCHQ-ADLMAVQZSA-N -1 3 373.413 0.962 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)CN1c2ccccc2OC(F)(F)C1=O ZINC001144232930 1204439230 /nfs/dbraw/zinc/43/92/30/1204439230.db2.gz OJQNPVXVAZMJOJ-JTQLQIEISA-N -1 3 366.324 0.633 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccc(-n2ccnc2)nc1 ZINC001180027237 1206387746 /nfs/dbraw/zinc/38/77/46/1206387746.db2.gz HFVXDWLTXPCSPT-CYBMUJFWSA-N -1 3 351.370 0.772 10 0 FCAEHM O=C(NCCn1cc(-c2ccccc2)nn1)c1ccc(-c2nnn[n-]2)cn1 ZINC001181348016 1206408308 /nfs/dbraw/zinc/40/83/08/1206408308.db2.gz CWKCAIXKHPJWHJ-UHFFFAOYSA-N -1 3 361.369 0.950 10 0 FCAEHM O=C(NCCn1cc(-c2ccccc2)nn1)c1ccc(-c2nn[n-]n2)cn1 ZINC001181348016 1206408311 /nfs/dbraw/zinc/40/83/11/1206408311.db2.gz CWKCAIXKHPJWHJ-UHFFFAOYSA-N -1 3 361.369 0.950 10 0 FCAEHM CC(C)NC(=O)C(=O)N1CCN(Cc2nnc(-c3ccccc3[O-])o2)CC1 ZINC001190375910 1207683930 /nfs/dbraw/zinc/68/39/30/1207683930.db2.gz VRRVBBPSVBFFMK-UHFFFAOYSA-N -1 3 373.413 0.611 10 0 FCAEHM COCC(C)(C)CC(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@@H]1O ZINC001489602708 1209031486 /nfs/dbraw/zinc/03/14/86/1209031486.db2.gz LKCFVTQOPDUMNI-HIFRSBDPSA-N -1 3 350.415 0.756 10 0 FCAEHM COC[C@H](OC)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001489905708 1209146396 /nfs/dbraw/zinc/14/63/96/1209146396.db2.gz IBTHGBGFDBBVIO-XQQFMLRXSA-N -1 3 366.418 0.167 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)CCCCCNC(C)=O ZINC001490005954 1209209271 /nfs/dbraw/zinc/20/92/71/1209209271.db2.gz ZUCTZRPCGKQOFM-DZGCQCFKSA-N -1 3 364.450 0.611 10 0 FCAEHM COCC(=O)NC[C@@H]1CN(C(=O)Cc2c(C)nc(C)[n-]c2=O)C[C@H]1C ZINC001490253537 1209287666 /nfs/dbraw/zinc/28/76/66/1209287666.db2.gz WWAMPINOBBVYQM-ZWNOBZJWSA-N -1 3 350.419 0.199 10 0 FCAEHM COCC1(CC(=O)NC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@H]2C)CC1 ZINC001490298264 1209301140 /nfs/dbraw/zinc/30/11/40/1209301140.db2.gz VUNGRUWXKNYKEU-CHWSQXEVSA-N -1 3 362.430 0.823 10 0 FCAEHM CCO[C@H](C)C(=O)N1C[C@@H](CNC(=O)c2c(C)nc[n-]c2=O)[C@H](C)C1 ZINC001490346913 1209309389 /nfs/dbraw/zinc/30/93/89/1209309389.db2.gz GKSRDTGPBYQNHH-RAIGVLPGSA-N -1 3 350.419 0.740 10 0 FCAEHM CC(C)(C)CC(=O)NCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn[n-]n1)C2 ZINC001490651390 1209404066 /nfs/dbraw/zinc/40/40/66/1209404066.db2.gz MZOBYRRFWBRALK-MDZLAQPJSA-N -1 3 362.434 0.219 10 0 FCAEHM CC(C)(C)OC(=O)NCc1cc(=O)[n-]c(CN2C(=O)N[C@H](CF)C2=O)n1 ZINC000853088469 1209582905 /nfs/dbraw/zinc/58/29/05/1209582905.db2.gz FJEJHTNRWYDNKR-SECBINFHSA-N -1 3 369.353 0.597 10 0 FCAEHM CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)NCCCc2cc(=O)[nH][n-]2)=NO1 ZINC000854485957 1209631318 /nfs/dbraw/zinc/63/13/18/1209631318.db2.gz HCOBHQUCHLTOSS-LLVKDONJSA-N -1 3 367.406 0.428 10 0 FCAEHM CN1NN=C2C1=NCC[C@H]2C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000854526762 1209633159 /nfs/dbraw/zinc/63/31/59/1209633159.db2.gz OODAWXNTNQMMQQ-NXEZZACHSA-N -1 3 374.367 0.128 10 0 FCAEHM COCCN(CCF)C(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC000855587639 1209674612 /nfs/dbraw/zinc/67/46/12/1209674612.db2.gz GEOZHXIVGAQSJG-UHFFFAOYSA-N -1 3 370.425 0.704 10 0 FCAEHM C[C@@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])C[C@@H](C)C1O ZINC000855692898 1209679087 /nfs/dbraw/zinc/67/90/87/1209679087.db2.gz SUPATIKQRCEYQS-GHMZBOCLSA-N -1 3 361.373 0.963 10 0 FCAEHM C[C@@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)C[C@@H](C)C1O ZINC000855692898 1209679089 /nfs/dbraw/zinc/67/90/89/1209679089.db2.gz SUPATIKQRCEYQS-GHMZBOCLSA-N -1 3 361.373 0.963 10 0 FCAEHM O=C(NCCCc1cc(=O)[nH][n-]1)C1(O)CN(C(=O)OCc2ccccc2)C1 ZINC000861738730 1209878172 /nfs/dbraw/zinc/87/81/72/1209878172.db2.gz CIAMAPYSEQQICS-UHFFFAOYSA-N -1 3 374.397 0.142 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)[C@@H]3[C@H]4CC[C@]5(COC(=O)[C@H]35)O4)cc2n(C)c1=O ZINC000861780240 1209881759 /nfs/dbraw/zinc/88/17/59/1209881759.db2.gz HFVJLWXXZSJKPX-ZUMXRPEOSA-N -1 3 373.365 0.242 10 0 FCAEHM C[C@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C[C@H]1O ZINC000089402288 1210842044 /nfs/dbraw/zinc/84/20/44/1210842044.db2.gz KXRKMKGQDMKOLQ-DTWKUNHWSA-N -1 3 352.865 0.909 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)[C@@H]3CCCN3C(=O)C(C)C)CC2)n1 ZINC000924300566 1211466658 /nfs/dbraw/zinc/46/66/58/1211466658.db2.gz FGXPOEDYDIFMJQ-AWEZNQCLSA-N -1 3 361.446 0.786 10 0 FCAEHM COC(=O)/C(C)=C\CNC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000925029895 1211488642 /nfs/dbraw/zinc/48/86/42/1211488642.db2.gz SUGBXIBKLZORPP-QPEQYQDCSA-N -1 3 361.398 0.979 10 0 FCAEHM COCCN1CC[C@@H](NC(=O)C(=O)NCCc2c(F)cc([O-])cc2F)C1 ZINC000930008215 1211681910 /nfs/dbraw/zinc/68/19/10/1211681910.db2.gz ADJVPOZKXYOEMU-LLVKDONJSA-N -1 3 371.384 0.166 10 0 FCAEHM COCCN1CC[C@H](NC(=O)C(=O)NCCc2c(F)cc([O-])cc2F)C1 ZINC000930008216 1211682223 /nfs/dbraw/zinc/68/22/23/1211682223.db2.gz ADJVPOZKXYOEMU-NSHDSACASA-N -1 3 371.384 0.166 10 0 FCAEHM COc1nnc(NC(=O)C(=Cc2cccc(OC)c2)n2nnnc2C)[n-]1 ZINC000778955535 1211943007 /nfs/dbraw/zinc/94/30/07/1211943007.db2.gz KOPVBDYTBAFCNI-XYOKQWHBSA-N -1 3 356.346 0.754 10 0 FCAEHM COc1nc(NC(=O)C(=Cc2cccc(OC)c2)n2nnnc2C)n[n-]1 ZINC000778955535 1211943008 /nfs/dbraw/zinc/94/30/08/1211943008.db2.gz KOPVBDYTBAFCNI-XYOKQWHBSA-N -1 3 356.346 0.754 10 0 FCAEHM COc1n[n-]c(NC(=O)C(=Cc2cccc(OC)c2)n2nnnc2C)n1 ZINC000778955535 1211943009 /nfs/dbraw/zinc/94/30/09/1211943009.db2.gz KOPVBDYTBAFCNI-XYOKQWHBSA-N -1 3 356.346 0.754 10 0 FCAEHM O=C(NCCNC(=O)c1ccc([O-])cc1)c1ccc(CN2CCOCC2)o1 ZINC001137463694 1216642203 /nfs/dbraw/zinc/64/22/03/1216642203.db2.gz WHWFPOOWWODWPN-UHFFFAOYSA-N -1 3 373.409 0.977 10 0 FCAEHM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCN(C2CN(C)C2)CC1 ZINC001123935082 1222367843 /nfs/dbraw/zinc/36/78/43/1222367843.db2.gz OFUCHBNOYUGXPQ-UHFFFAOYSA-N -1 3 358.446 0.052 10 0 FCAEHM CC(C)(C)OC(=O)NCC1(C(=O)NCCCc2cc(=O)[nH][n-]2)CC(O)C1 ZINC001141691312 1222757104 /nfs/dbraw/zinc/75/71/04/1222757104.db2.gz NEPJVBCMKJMTCC-UHFFFAOYSA-N -1 3 368.434 0.425 10 0 FCAEHM CN1CC(=O)Nc2cc(C(=O)Nc3cccc(Cc4nnn[n-]4)c3)cnc21 ZINC001141846488 1222782681 /nfs/dbraw/zinc/78/26/81/1222782681.db2.gz ZRZPUUMSDSNPQM-UHFFFAOYSA-N -1 3 364.369 0.826 10 0 FCAEHM CN1CC(=O)Nc2cc(C(=O)Nc3cccc(Cc4nn[n-]n4)c3)cnc21 ZINC001141846488 1222782684 /nfs/dbraw/zinc/78/26/84/1222782684.db2.gz ZRZPUUMSDSNPQM-UHFFFAOYSA-N -1 3 364.369 0.826 10 0 FCAEHM C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCCCc2c[n-][nH]c2=O)C1=O ZINC001149262588 1222881283 /nfs/dbraw/zinc/88/12/83/1222881283.db2.gz MIPVBODUJSRPSB-XIKOKIGWSA-N -1 3 371.397 0.082 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])N1CCn2nncc2C1 ZINC000848269434 1245362759 /nfs/dbraw/zinc/36/27/59/1245362759.db2.gz CYMJAPJRSLBDLO-UHFFFAOYSA-N -1 3 356.317 0.121 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c([O-])cc1=O)N1CCn2nncc2C1 ZINC000848269434 1245362762 /nfs/dbraw/zinc/36/27/62/1245362762.db2.gz CYMJAPJRSLBDLO-UHFFFAOYSA-N -1 3 356.317 0.121 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)COC[C@H]2CCCO2)CCN1C(=O)c1cnc[n-]c1=O ZINC001520829401 1266014798 /nfs/dbraw/zinc/01/47/98/1266014798.db2.gz JRKKVRLVIZVCNB-BZPMIXESSA-N -1 3 364.402 0.097 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@H]1CCN(C(=O)c2cnccn2)[C@@H]1C ZINC001520858394 1266023490 /nfs/dbraw/zinc/02/34/90/1266023490.db2.gz IWPXHMXZMAHRJP-OCCSQVGLSA-N -1 3 370.413 0.633 10 0 FCAEHM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N(C)CC3CN(C)C3)cc2)[n-]1 ZINC001330927154 1266117943 /nfs/dbraw/zinc/11/79/43/1266117943.db2.gz MIAKFWKIWCOOHG-UHFFFAOYSA-N -1 3 372.425 0.515 10 0 FCAEHM CCOC(=O)[C@H]1CCCN(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)C1 ZINC001251450708 1259748739 /nfs/dbraw/zinc/74/87/39/1259748739.db2.gz DVNDXYVVASOGGR-STQMWFEESA-N -1 3 363.418 0.746 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2ccncn2)C1 ZINC001522017961 1266302832 /nfs/dbraw/zinc/30/28/32/1266302832.db2.gz UWLSLHACLJTDLJ-DGCLKSJQSA-N -1 3 370.413 0.809 10 0 FCAEHM CC(C)COCCC(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]2C1 ZINC001264638523 1260386952 /nfs/dbraw/zinc/38/69/52/1260386952.db2.gz CYZCBWPATWFYQC-CABCVRRESA-N -1 3 365.478 0.451 10 0 FCAEHM O=C(N[C@H](CO)CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1)c1cn[n-]n1 ZINC001337672353 1260453107 /nfs/dbraw/zinc/45/31/07/1260453107.db2.gz APDATOQJAHZBKS-RWMBFGLXSA-N -1 3 363.805 0.469 10 0 FCAEHM Cc1nc(C)c(CC(=O)N[C@@H](CO)CNC(=O)[C@]23C[C@H]2CCC3)c(=O)[n-]1 ZINC001337781738 1260483496 /nfs/dbraw/zinc/48/34/96/1260483496.db2.gz VLWFZKKWRUDCKO-SNUQEOBHSA-N -1 3 362.430 0.125 10 0 FCAEHM CO[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c(C)nc[n-]c1=O)C1CC1 ZINC001522140540 1266367351 /nfs/dbraw/zinc/36/73/51/1266367351.db2.gz UMJYPPQYKGDFTA-UKTARXLSSA-N -1 3 360.414 0.777 10 0 FCAEHM CC[C@H](CC(C)C)C(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1O ZINC001281717949 1261172466 /nfs/dbraw/zinc/17/24/66/1261172466.db2.gz OOUBOCUCCKJPRB-MGPQQGTHSA-N -1 3 364.446 0.864 10 0 FCAEHM CCCOCC(=O)N1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001281812523 1261207126 /nfs/dbraw/zinc/20/71/26/1261207126.db2.gz XTPWXUPTNXSXOP-GOEBONIOSA-N -1 3 357.414 0.956 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ccon1)C2 ZINC001522176328 1266399474 /nfs/dbraw/zinc/39/94/74/1266399474.db2.gz KTFUYZSLYNVUSA-RDBSUJKOSA-N -1 3 371.397 0.973 10 0 FCAEHM O=C(CCn1ccnc1)NC[C@H]1CC[C@@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001282140642 1261354544 /nfs/dbraw/zinc/35/45/44/1261354544.db2.gz DLPLDIQGUFZTHW-QWHCGFSZSA-N -1 3 358.402 0.484 10 0 FCAEHM CC/C(C)=C/C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001282163693 1261363432 /nfs/dbraw/zinc/36/34/32/1261363432.db2.gz GVOMHWSLESWZEH-CVDKSZRLSA-N -1 3 357.418 0.619 10 0 FCAEHM O=C(NCc1nc(CNC(=O)[C@]23CCC[C@H]2OCC3)cc(=O)[n-]1)C(F)F ZINC001282228632 1261387499 /nfs/dbraw/zinc/38/74/99/1261387499.db2.gz GKWMKEZKTSPCGU-HWPZZCPQSA-N -1 3 370.356 0.639 10 0 FCAEHM CC[C@@H](OC)C(=O)N[C@H]1CCN(C(=O)Cc2c(C)nc(C)[n-]c2=O)[C@@H]1C ZINC001282331538 1261414078 /nfs/dbraw/zinc/41/40/78/1261414078.db2.gz BZKZOBSSNFWQCI-BYCMXARLSA-N -1 3 364.446 0.872 10 0 FCAEHM COCCCS(=O)(=O)[N-]CC(=O)N=[S@](C)(=O)C1CCCCC1 ZINC001471988928 1261423186 /nfs/dbraw/zinc/42/31/86/1261423186.db2.gz WXBWWOLSALFDBB-OAQYLSRUSA-N -1 3 354.494 0.899 10 0 FCAEHM Cc1[nH]c2ccnn2c(=O)c1CC(=O)Nc1cc(C(=O)OC(C)C)n[n-]1 ZINC001472090593 1261435798 /nfs/dbraw/zinc/43/57/98/1261435798.db2.gz FTUHNMICOGOPTL-UHFFFAOYSA-N -1 3 358.358 0.801 10 0 FCAEHM Cc1[nH]c2ccnn2c(=O)c1CC(=O)Nc1cc(C(=O)OC(C)C)[n-]n1 ZINC001472090593 1261435805 /nfs/dbraw/zinc/43/58/05/1261435805.db2.gz FTUHNMICOGOPTL-UHFFFAOYSA-N -1 3 358.358 0.801 10 0 FCAEHM COC(=O)[C@H](Cn1cncn1)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC001472117765 1261439653 /nfs/dbraw/zinc/43/96/53/1261439653.db2.gz POUNQWPOVYHFLZ-ZDUSSCGKSA-N -1 3 350.350 0.804 10 0 FCAEHM C[C@@]12CN(C(=O)CCCC(N)=O)C[C@@H]1CN(C(=O)c1ccccc1[O-])C2 ZINC001282430146 1261449403 /nfs/dbraw/zinc/44/94/03/1261449403.db2.gz UUAUCHRHUJWXCK-YJYMSZOUSA-N -1 3 359.426 0.968 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccnc(-n2ccnc2)c1 ZINC001472253534 1261455304 /nfs/dbraw/zinc/45/53/04/1261455304.db2.gz OOTGSCLHWOBBEY-ZDUSSCGKSA-N -1 3 351.370 0.772 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC001472506351 1261471750 /nfs/dbraw/zinc/47/17/50/1261471750.db2.gz CWGAYQYYDKXCAU-UHFFFAOYSA-N -1 3 370.475 0.048 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cn[nH]c1 ZINC001282655362 1261570860 /nfs/dbraw/zinc/57/08/60/1261570860.db2.gz LZPLJWJWAJHLGO-SNPRPXQTSA-N -1 3 370.413 0.708 10 0 FCAEHM O=c1[n-]cncc1-c1nnc(N2CCN(C3CC3)CC2)n1C[C@H]1CCOC1 ZINC001345330453 1261675312 /nfs/dbraw/zinc/67/53/12/1261675312.db2.gz MPDIFQNIIMLNNL-CYBMUJFWSA-N -1 3 371.445 0.762 10 0 FCAEHM CC[C@@H](OC)C(=O)N1CC[C@H](NC(=O)CCc2c(C)nc[n-]c2=O)[C@H]1C ZINC001345478900 1261717689 /nfs/dbraw/zinc/71/76/89/1261717689.db2.gz IAAJXBSKEKAPMH-VHDGCEQUSA-N -1 3 364.446 0.954 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@H](NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1CC1 ZINC001283957522 1261723703 /nfs/dbraw/zinc/72/37/03/1261723703.db2.gz ISYCAKDVXIVGFP-MQYQWHSLSA-N -1 3 360.414 0.683 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001284253347 1261739905 /nfs/dbraw/zinc/73/99/05/1261739905.db2.gz XLSCKEJYEXNYKX-DDTOSNHZSA-N -1 3 355.398 0.924 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CNC(=O)CCc1c(C)nc[n-]c1=O ZINC001284277030 1261743079 /nfs/dbraw/zinc/74/30/79/1261743079.db2.gz PVCDKPDMFGSYRU-GLQYFDAESA-N -1 3 364.446 0.859 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@@H](NC(=O)[C@H]1OCCO[C@H]1C)C(C)C ZINC001285339072 1261833229 /nfs/dbraw/zinc/83/32/29/1261833229.db2.gz YMCMOZHDTJNDSP-SCRDCRAPSA-N -1 3 366.418 0.165 10 0 FCAEHM C[C@@H](CNC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)NC(=O)c1ccccc1[O-] ZINC001285710403 1261868854 /nfs/dbraw/zinc/86/88/54/1261868854.db2.gz IQLHMKKVWVVBBU-ZOWXZIJZSA-N -1 3 363.414 0.440 10 0 FCAEHM Cc1ccccc1CN1CCO[C@@H](CNC(=O)c2[nH]c(=O)[n-]c(=O)c2N)C1 ZINC001287969693 1261990639 /nfs/dbraw/zinc/99/06/39/1261990639.db2.gz LXBBGAMIPNBPFJ-ZDUSSCGKSA-N -1 3 373.413 0.409 10 0 FCAEHM C[C@H](CC(F)F)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC001289079313 1262097200 /nfs/dbraw/zinc/09/72/00/1262097200.db2.gz IDZLIMNDNNCBFO-GGZOMVNGSA-N -1 3 367.356 0.551 10 0 FCAEHM CCN(CC)C[C@@H](F)C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1C ZINC001289317260 1262170486 /nfs/dbraw/zinc/17/04/86/1262170486.db2.gz AJOSDJWLFFFYTG-RAIGVLPGSA-N -1 3 369.441 0.680 10 0 FCAEHM C[C@@H](Oc1cccnc1)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001289408128 1262196018 /nfs/dbraw/zinc/19/60/18/1262196018.db2.gz SQXNLDKXKHMEGF-LALPHHSUSA-N -1 3 371.397 0.621 10 0 FCAEHM CC(C)[C@H](C)C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@]23C[C@H]2COC3)n1 ZINC001290364655 1262433262 /nfs/dbraw/zinc/43/32/62/1262433262.db2.gz WEIHHNITTFEAGK-PZROIBLQSA-N -1 3 362.430 0.743 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@H]1CCN(C(=O)c2ccncn2)[C@@H]1C ZINC001290668853 1262489576 /nfs/dbraw/zinc/48/95/76/1262489576.db2.gz CNTKPRQWTZCRFZ-OCCSQVGLSA-N -1 3 370.413 0.633 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)CCCC(=O)N(C)C)CCN1C(=O)c1cnc[n-]c1=O ZINC001290683086 1262493976 /nfs/dbraw/zinc/49/39/76/1262493976.db2.gz SKLTXAGAVYOGMS-YPMHNXCESA-N -1 3 363.418 0.160 10 0 FCAEHM O=C(N[C@H]1CCCCNC1=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001290845164 1262519362 /nfs/dbraw/zinc/51/93/62/1262519362.db2.gz LFWKZJLXSKTVGH-LBPRGKRZSA-N -1 3 360.345 0.272 10 0 FCAEHM O=C(N[C@H]1CCCCNC1=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001290845164 1262519367 /nfs/dbraw/zinc/51/93/67/1262519367.db2.gz LFWKZJLXSKTVGH-LBPRGKRZSA-N -1 3 360.345 0.272 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@H]2CN(C(=O)COC(C)C)C[C@@]2(C)C1 ZINC001290844206 1262519586 /nfs/dbraw/zinc/51/95/86/1262519586.db2.gz KPXXXZGGGYLJAR-ACJLOTCBSA-N -1 3 362.430 0.836 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)CN1CC[C@H](c2ccccc2)NC1=O ZINC001292969246 1262707093 /nfs/dbraw/zinc/70/70/93/1262707093.db2.gz FAMCNSVNLBQLHJ-HUUCEWRRSA-N -1 3 357.414 0.771 10 0 FCAEHM CCn1cnnc1CCNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001293154973 1262712101 /nfs/dbraw/zinc/71/21/01/1262712101.db2.gz YQNYPHPMFCNTTF-UHFFFAOYSA-N -1 3 372.360 0.458 10 0 FCAEHM CCn1cnnc1CCNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001293154973 1262712106 /nfs/dbraw/zinc/71/21/06/1262712106.db2.gz YQNYPHPMFCNTTF-UHFFFAOYSA-N -1 3 372.360 0.458 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCC2(OCCO)CCOCC2)c1 ZINC001296831135 1262839249 /nfs/dbraw/zinc/83/92/49/1262839249.db2.gz FGQWGTSSQMBAHS-UHFFFAOYSA-N -1 3 364.398 0.805 10 0 FCAEHM CC[C@@H](CNC(=O)c1cc(=O)[n-]c(C2CC2)n1)NC(=O)[C@]12C[C@H]1COC2 ZINC001297427574 1262865951 /nfs/dbraw/zinc/86/59/51/1262865951.db2.gz JEEYCGFPPBJDEW-PZROIBLQSA-N -1 3 360.414 0.721 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(C)C ZINC001297996053 1262904032 /nfs/dbraw/zinc/90/40/32/1262904032.db2.gz JWQZWXRVZWFXNU-MKRTWGBSSA-N -1 3 374.441 0.785 10 0 FCAEHM COC1(OC)CCN(C(=O)CCNC(=O)c2ccc(C)cc2[O-])C[C@@H]1O ZINC001299814075 1262979806 /nfs/dbraw/zinc/97/98/06/1262979806.db2.gz GYWPHIWUOSFZFN-HNNXBMFYSA-N -1 3 366.414 0.403 10 0 FCAEHM O=C(CCn1cc[n-]c(=O)c1=O)N1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC001302294062 1263039435 /nfs/dbraw/zinc/03/94/35/1263039435.db2.gz OVECKORJXQRKLI-KRWDZBQOSA-N -1 3 365.393 0.824 10 0 FCAEHM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1c[nH]nc1-c1ccccn1 ZINC001302841633 1263061546 /nfs/dbraw/zinc/06/15/46/1263061546.db2.gz FWXLGBGAKPASJB-UHFFFAOYSA-N -1 3 352.354 0.970 10 0 FCAEHM Cc1cccc(NCCNC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)n1 ZINC001479158683 1263173798 /nfs/dbraw/zinc/17/37/98/1263173798.db2.gz UIBLWBZNPYRFJO-UHFFFAOYSA-N -1 3 358.402 0.870 10 0 FCAEHM CCN(C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)[C@@H](C)CS(C)(=O)=O ZINC001479507006 1263233440 /nfs/dbraw/zinc/23/34/40/1263233440.db2.gz IBOSPJBGIATUPB-RYUDHWBXSA-N -1 3 371.463 0.226 10 0 FCAEHM C[C@@H]1CN(CCNC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)[C@H](C)CO1 ZINC001479506196 1263234421 /nfs/dbraw/zinc/23/44/21/1263234421.db2.gz BOXFHHUDKUXPGY-MGPQQGTHSA-N -1 3 364.450 0.169 10 0 FCAEHM C[C@H](NC(N)=O)C(=O)N[C@H]1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)[C@@H]1C ZINC001479704326 1263356208 /nfs/dbraw/zinc/35/62/08/1263356208.db2.gz QQCSRMJZJHXQJY-CWSCBRNRSA-N -1 3 362.434 0.195 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)NCCCN(C)Cc1cc(=O)n2[n-]ccc2n1 ZINC001479776537 1263410041 /nfs/dbraw/zinc/41/00/41/1263410041.db2.gz JFGPWAPTLOVXSJ-DYVFJYSZSA-N -1 3 361.446 0.776 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)N(C)CCOCCNC(=O)c1cnc[n-]c1=O ZINC001510204742 1264487748 /nfs/dbraw/zinc/48/77/48/1264487748.db2.gz LUTFQQWYOLMJDL-OCCSQVGLSA-N -1 3 366.418 0.202 10 0 FCAEHM CCC[C@@H]1C[C@H]1C(=O)N[C@@H](CO)CNC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC001510940008 1264519629 /nfs/dbraw/zinc/51/96/29/1264519629.db2.gz GKQSOMSQBCPRKS-UMVBOHGHSA-N -1 3 364.446 0.371 10 0 FCAEHM O=C(N[C@H]1[C@@H]2CCC[C@@H]21)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001324137290 1264582820 /nfs/dbraw/zinc/58/28/20/1264582820.db2.gz UCLPVKOQMIJQRT-ZSHCYNCHSA-N -1 3 357.410 0.591 10 0 FCAEHM CC1(CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001324867352 1264720982 /nfs/dbraw/zinc/72/09/82/1264720982.db2.gz DESFYNBYNYKMIT-VXGBXAGGSA-N -1 3 359.434 0.755 10 0 FCAEHM CCCCCC[C@H](F)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001512982960 1264793204 /nfs/dbraw/zinc/79/32/04/1264793204.db2.gz CZMVAJYJWMNVIU-BFHYXJOUSA-N -1 3 368.409 0.792 10 0 FCAEHM CCO[C@@H](CC)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001513279923 1265014369 /nfs/dbraw/zinc/01/43/69/1265014369.db2.gz MAEUJOWHMCADPA-RTXFEEFZSA-N -1 3 350.419 0.882 10 0 FCAEHM CC[C@@H](C)CC(=O)N1C[C@@H](NC(=O)c2c(C)nc[n-]c2=O)[C@H](OC)C1 ZINC001513410963 1265108886 /nfs/dbraw/zinc/10/88/86/1265108886.db2.gz PCFCKSVRPYWEFI-RAIGVLPGSA-N -1 3 350.419 0.882 10 0 FCAEHM CO[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC001514274942 1265335327 /nfs/dbraw/zinc/33/53/27/1265335327.db2.gz RUMINGVMBGXSAP-NILFDRSVSA-N -1 3 364.446 0.920 10 0 FCAEHM O=C(NCC(F)F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccccc1[O-] ZINC001522294097 1266474649 /nfs/dbraw/zinc/47/46/49/1266474649.db2.gz VADWLHPFZBAKLF-JLLWLGSASA-N -1 3 367.352 0.635 10 0 FCAEHM O=C([O-])[C@@]1(N2CCN(Cc3ccnn3-c3ccncc3)CC2)CCOC1 ZINC001334006243 1266775287 /nfs/dbraw/zinc/77/52/87/1266775287.db2.gz UXERVEOKQKYXLV-GOSISDBHSA-N -1 3 357.414 0.629 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)[C@@]1([C@@H]2CCCCO2)CCCO1 ZINC001529187394 1267040860 /nfs/dbraw/zinc/04/08/60/1267040860.db2.gz GGQOYOJMWXVJCX-GLJUWKHASA-N -1 3 362.430 0.995 10 0 FCAEHM O=C(NC1(CCO)CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1)c1ncccc1[O-] ZINC001334608269 1267102989 /nfs/dbraw/zinc/10/29/89/1267102989.db2.gz ZCNQAMAUNYVYPB-VXGBXAGGSA-N -1 3 371.397 0.007 10 0 FCAEHM CC(C)(C)[N-]S(=O)(=O)c1cnc(NC(=O)CCn2ccnn2)s1 ZINC001532191517 1267160736 /nfs/dbraw/zinc/16/07/36/1267160736.db2.gz KJOJVDZMDLQNFB-UHFFFAOYSA-N -1 3 358.449 0.840 10 0 FCAEHM O=C(CN1CCCC2(CC2)S1(=O)=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC001538229776 1267397656 /nfs/dbraw/zinc/39/76/56/1267397656.db2.gz IEPIWCCUAZMDPY-UHFFFAOYSA-N -1 3 353.326 0.720 10 0 FCAEHM O=C(CN1CCCC2(CC2)S1(=O)=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC001538229776 1267397665 /nfs/dbraw/zinc/39/76/65/1267397665.db2.gz IEPIWCCUAZMDPY-UHFFFAOYSA-N -1 3 353.326 0.720 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)Cn1cnc(-c2ccccc2)cc1=O ZINC001542941700 1267513516 /nfs/dbraw/zinc/51/35/16/1267513516.db2.gz AODVNRGOIUPJSU-CQSZACIVSA-N -1 3 353.382 0.539 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C2=CCS(=O)(=O)C2)cc1OC ZINC001544825117 1267594606 /nfs/dbraw/zinc/59/46/06/1267594606.db2.gz XMZJTDGEFOBPIS-UHFFFAOYSA-N -1 3 374.440 0.750 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001338511010 1267966829 /nfs/dbraw/zinc/96/68/29/1267966829.db2.gz HDNHSFCPWDJUFC-MELADBBJSA-N -1 3 362.430 0.476 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001338584987 1267995494 /nfs/dbraw/zinc/99/54/94/1267995494.db2.gz GMAAUXOSFUYZRF-CBBWQLFWSA-N -1 3 374.441 0.642 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)N(C)C[C@H](O)CNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001338616149 1268009314 /nfs/dbraw/zinc/00/93/14/1268009314.db2.gz SKIDTFKMOIIGQS-RAIGVLPGSA-N -1 3 362.430 0.655 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)C=Cc2ccco2)C1 ZINC001341203113 1268855442 /nfs/dbraw/zinc/85/54/42/1268855442.db2.gz QLDCYQCPWSDNLO-DIABFLQPSA-N -1 3 358.354 0.099 10 0 FCAEHM COCCC[C@@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001341233156 1268880399 /nfs/dbraw/zinc/88/03/99/1268880399.db2.gz VTCLYGUYNHFOHN-XNRPHZJLSA-N -1 3 350.415 0.756 10 0 FCAEHM COc1ccc(CNC(=O)C=CC(=O)NCc2cc(=O)[n-]c(=S)[nH]2)cc1 ZINC001557318860 1268942790 /nfs/dbraw/zinc/94/27/90/1268942790.db2.gz NFZLQBMLYTUFTA-VOTSOKGWSA-N -1 3 374.422 0.968 10 0 FCAEHM O=C(CCN1C(=O)c2ccccc2C1=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001557320676 1268944062 /nfs/dbraw/zinc/94/40/62/1268944062.db2.gz VUQQUAVBHRATGU-UHFFFAOYSA-N -1 3 358.379 0.773 10 0 FCAEHM CS(=O)(=O)c1ccc(NCC(=O)NCCCc2c[n-][nH]c2=O)cc1 ZINC001557701156 1268968633 /nfs/dbraw/zinc/96/86/33/1268968633.db2.gz KASIGERENHGBFM-NSHDSACASA-N -1 3 352.416 0.130 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCC1(C2(O)CCC2)CC1 ZINC001558608333 1269122312 /nfs/dbraw/zinc/12/23/12/1269122312.db2.gz CEOPULKPUGMNPY-UHFFFAOYSA-N -1 3 372.219 0.523 10 0 FCAEHM CS(=O)(=O)C[C@H](O)CNC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001558637589 1269126044 /nfs/dbraw/zinc/12/60/44/1269126044.db2.gz UXSNZSBZLLHBPK-MRVPVSSYSA-N -1 3 358.803 0.317 10 0 FCAEHM COC(=O)c1cnc(CCNC(=O)Cc2c(C)nc(C)[n-]c2=O)s1 ZINC001558645347 1269126629 /nfs/dbraw/zinc/12/66/29/1269126629.db2.gz XPMIIPSABVYXCG-UHFFFAOYSA-N -1 3 350.400 0.944 10 0 FCAEHM COC(=O)c1cc(NC(=O)CNC(=O)c2ccncc2)c([O-])c(OC)c1 ZINC001558677217 1269129936 /nfs/dbraw/zinc/12/99/36/1269129936.db2.gz HQGBOVATGWVPQB-UHFFFAOYSA-N -1 3 359.338 0.951 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccccc1-n1ccnn1 ZINC001558698294 1269132409 /nfs/dbraw/zinc/13/24/09/1269132409.db2.gz UWSKPQJKLMBOOD-LBPRGKRZSA-N -1 3 351.370 0.772 10 0 FCAEHM CC(=O)NCc1ccc(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1 ZINC001558698330 1269132896 /nfs/dbraw/zinc/13/28/96/1269132896.db2.gz WNDLPKMMDXYKEZ-OAHLLOKOSA-N -1 3 355.398 0.827 10 0 FCAEHM CS(=O)(=O)N[C@@H]1CCCN(Cc2nnc(-c3ccccc3[O-])o2)C1 ZINC001560038281 1269183985 /nfs/dbraw/zinc/18/39/85/1269183985.db2.gz KFIJHAFYBXCYER-LLVKDONJSA-N -1 3 352.416 0.956 10 0 FCAEHM O=C([N-]CCCN1CCOC2(CCS(=O)(=O)CC2)C1)C(F)(F)F ZINC001560229984 1269198428 /nfs/dbraw/zinc/19/84/28/1269198428.db2.gz JETQEYCULNZWAP-UHFFFAOYSA-N -1 3 358.382 0.335 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)NCc1ncccn1 ZINC001564648643 1269427194 /nfs/dbraw/zinc/42/71/94/1269427194.db2.gz YCDCFMAKKRLFRJ-UHFFFAOYSA-N -1 3 371.369 0.533 10 0 FCAEHM COC1([C@@H](C)NC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)CCOCC1 ZINC001564949684 1269445019 /nfs/dbraw/zinc/44/50/19/1269445019.db2.gz PFYUBJFXXCHLGL-OLZOCXBDSA-N -1 3 365.434 0.644 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C=CC(=O)Nc1ccc2n[nH]cc2c1 ZINC001565612238 1269482894 /nfs/dbraw/zinc/48/28/94/1269482894.db2.gz HTMVJTVINNTTQO-MUBLQREKSA-N -1 3 354.370 0.686 10 0 FCAEHM COC(=O)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)cn1)Cc1ccncc1 ZINC001565634453 1269486426 /nfs/dbraw/zinc/48/64/26/1269486426.db2.gz UPIFZBULSGVYHB-CYBMUJFWSA-N -1 3 367.369 0.418 10 0 FCAEHM COC(=O)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)cn1)Cc1ccncc1 ZINC001565634453 1269486433 /nfs/dbraw/zinc/48/64/33/1269486433.db2.gz UPIFZBULSGVYHB-CYBMUJFWSA-N -1 3 367.369 0.418 10 0 FCAEHM C[C@H](CCNC(=O)[C@@H]1CCO[C@H]1c1ccncc1)NCc1n[nH]c(=O)[n-]1 ZINC001567215103 1269680662 /nfs/dbraw/zinc/68/06/62/1269680662.db2.gz MXSAVEUBIZWXSR-KYOSRNDESA-N -1 3 360.418 0.668 10 0 FCAEHM COC[C@H](C)CC(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1OC ZINC001343082248 1269762064 /nfs/dbraw/zinc/76/20/64/1269762064.db2.gz FZVXWPDPIPIMIV-RAIGVLPGSA-N -1 3 366.418 0.119 10 0 FCAEHM O=C(N[C@@H](CO)CNC(=O)[C@@H]1C[C@H]1c1ccsc1)c1cnc[n-]c1=O ZINC001572336165 1270040481 /nfs/dbraw/zinc/04/04/81/1270040481.db2.gz AABMVGBOYTWECA-GRYCIOLGSA-N -1 3 362.411 0.254 10 0 FCAEHM CN(C[C@@H](O)CN(C)C(=O)c1cnc[n-]c1=O)C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001572499096 1270080081 /nfs/dbraw/zinc/08/00/81/1270080081.db2.gz ASYBXCAUKRFZKL-MJBXVCDLSA-N -1 3 362.430 0.510 10 0 FCAEHM CCOCCOCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cnc[n-]c1=O ZINC001344124464 1270101140 /nfs/dbraw/zinc/10/11/40/1270101140.db2.gz UQCREYRXFAMORG-ZIAGYGMSSA-N -1 3 366.418 0.393 10 0 FCAEHM COCC1(C(=O)N[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@H]2C)CCCC1 ZINC001572902312 1270326694 /nfs/dbraw/zinc/32/66/94/1270326694.db2.gz ZPGAEGIMDIESJO-TZMCWYRMSA-N -1 3 362.430 0.966 10 0 FCAEHM CCC[C@@H](C)C(=O)N1C[C@@H](NC(=O)c2c(C)nc[n-]c2=O)[C@H](OC)C1 ZINC001572964775 1270420976 /nfs/dbraw/zinc/42/09/76/1270420976.db2.gz RMTRRMGFSJDESE-RAIGVLPGSA-N -1 3 350.419 0.882 10 0 FCAEHM CC[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2nnc3ccccc3c2[O-])C[C@@H]1O ZINC001572976740 1270436864 /nfs/dbraw/zinc/43/68/64/1270436864.db2.gz LWQBIQYVVIXHLI-GDLCADMTSA-N -1 3 358.398 0.683 10 0 FCAEHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@@H]1O ZINC001573000311 1270480089 /nfs/dbraw/zinc/48/00/89/1270480089.db2.gz LVDRRELGZUFSIK-XFJVYGCCSA-N -1 3 358.398 0.296 10 0 FCAEHM C[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@@H]1O ZINC001573000310 1270480401 /nfs/dbraw/zinc/48/04/01/1270480401.db2.gz LVDRRELGZUFSIK-PEYYIBSZSA-N -1 3 358.398 0.296 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)NCc1nc(CNC(=O)C(C)(C)F)cc(=O)[n-]1 ZINC001573249873 1270708946 /nfs/dbraw/zinc/70/89/46/1270708946.db2.gz UFHDXTVKHXWNRV-YGRLFVJLSA-N -1 3 368.409 0.978 10 0 FCAEHM CC=C(C)C(=O)NCc1nc(CNC(=O)[C@H]2OCCO[C@H]2C)cc(=O)[n-]1 ZINC001573249307 1270709442 /nfs/dbraw/zinc/70/94/42/1270709442.db2.gz OCRYIVZJZABMFN-ASXBQLJXSA-N -1 3 364.402 0.185 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](CNC(=O)Cc2cccnc2)[C@H](C)C1 ZINC001573815907 1270892115 /nfs/dbraw/zinc/89/21/15/1270892115.db2.gz LNYOPDLRZUFGES-IUODEOHRSA-N -1 3 369.425 0.953 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](CNC(=O)[C@@]2(C)CCOC2)[C@H](C)C1 ZINC001573899042 1270924614 /nfs/dbraw/zinc/92/46/14/1270924614.db2.gz PNGDEKKUDQSHQO-BVRBVLIYSA-N -1 3 362.430 0.742 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CCNC(=O)c1cnns1 ZINC001573945639 1270951674 /nfs/dbraw/zinc/95/16/74/1270951674.db2.gz ZGGIEESNCCWWAA-NXEZZACHSA-N -1 3 362.415 0.562 10 0 FCAEHM CO[C@@H](C)C(=O)NCC[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1C ZINC001573945972 1270952654 /nfs/dbraw/zinc/95/26/54/1270952654.db2.gz KSRRSQVQPGSTSA-KGYLQXTDSA-N -1 3 350.419 0.740 10 0 FCAEHM CC[C@H](C(=O)NCC[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1C)N(C)C ZINC001574018945 1270997597 /nfs/dbraw/zinc/99/75/97/1270997597.db2.gz TXYWPOCSHNHECP-MRVWCRGKSA-N -1 3 365.478 0.978 10 0 FCAEHM O=C(CCn1ccnn1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccccc1[O-] ZINC001574438773 1271277243 /nfs/dbraw/zinc/27/72/43/1271277243.db2.gz POKRWGRSSBYBHL-YUELXQCFSA-N -1 3 355.398 0.936 10 0 FCAEHM O=C(CNC(=O)c1cccs1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn[n-]n1)C2 ZINC001574514725 1271298898 /nfs/dbraw/zinc/29/88/98/1271298898.db2.gz QZSNRKHADLCAEJ-FOGDFJRCSA-N -1 3 374.426 0.158 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)NCCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001575476262 1272144361 /nfs/dbraw/zinc/14/43/61/1272144361.db2.gz IDBMOBFKZJJXFP-DUVNUKRYSA-N -1 3 362.430 0.471 10 0 FCAEHM CCC[C@@H]1C[C@H]1C(=O)NCCN1CCN(C(=O)c2cnc[n-]c2=O)CC1 ZINC001577867662 1275050676 /nfs/dbraw/zinc/05/06/76/1275050676.db2.gz OGWVMONSOXDYLW-ZIAGYGMSSA-N -1 3 361.446 0.492 10 0 FCAEHM O=C(NC[C@H](NC(=O)[C@]12C[C@H]1COC2)C1CC1)c1cccc2n[n-]nc21 ZINC001578149457 1275449636 /nfs/dbraw/zinc/44/96/36/1275449636.db2.gz DBDZGMDHJYUOAX-MIUNTBIASA-N -1 3 355.398 0.619 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cccnc1-n1cccn1 ZINC001603293839 1287347510 /nfs/dbraw/zinc/34/75/10/1287347510.db2.gz ZBLVKINDTRWLAL-GFCCVEGCSA-N -1 3 351.370 0.772 10 0 FCAEHM NC(=O)c1ccccc1NCC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001603293729 1287347982 /nfs/dbraw/zinc/34/79/82/1287347982.db2.gz YKWHWWGBUVIJID-LLVKDONJSA-N -1 3 356.386 0.088 10 0 FCAEHM CCOC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)C1 ZINC001603293483 1287348116 /nfs/dbraw/zinc/34/81/16/1287348116.db2.gz WWCRVRDFKBLKLY-CHWSQXEVSA-N -1 3 363.418 0.746 10 0 FCAEHM CC(C)C[C@H](CNCc1nc(=O)n(C)[n-]1)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001715389158 1287351045 /nfs/dbraw/zinc/35/10/45/1287351045.db2.gz HQNCNAQUJMIBII-ULSDXFBPSA-N -1 3 363.462 0.152 10 0 FCAEHM CC(C)[C@@H](NS(C)(=O)=O)C(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001603629026 1287450574 /nfs/dbraw/zinc/45/05/74/1287450574.db2.gz YIMNWCCHRFQBAA-YRGRVCCFSA-N -1 3 370.475 0.898 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@H](C)N(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001718193118 1287472151 /nfs/dbraw/zinc/47/21/51/1287472151.db2.gz HXVPLKJBWFSNBB-FIWWZFGMSA-N -1 3 360.414 0.491 10 0 FCAEHM O=C(N[C@@H](CO)CNC(=O)[C@]12C[C@H]1CCC2)c1c[n-]c2ccccc2c1=O ZINC001718636370 1287545234 /nfs/dbraw/zinc/54/52/34/1287545234.db2.gz XDHQCJSMTVLNMB-VFGMZZLHSA-N -1 3 369.421 0.925 10 0 FCAEHM Cn1c2ccccc2n(CCC(=O)NCc2cc(=O)[n-]c(=S)[nH]2)c1=O ZINC001583369076 1282085287 /nfs/dbraw/zinc/08/52/87/1282085287.db2.gz LRNCIUDIEAKCOA-UHFFFAOYSA-N -1 3 359.411 0.831 10 0 FCAEHM O=C(c1cc(N2CCNC(=O)C2)ccn1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001631826039 1282117186 /nfs/dbraw/zinc/11/71/86/1282117186.db2.gz LDEZXWGBBFIGAT-NSHDSACASA-N -1 3 356.386 0.076 10 0 FCAEHM NS(=O)(=O)c1ccc(CCC(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)cc1 ZINC001631826195 1282118614 /nfs/dbraw/zinc/11/86/14/1282118614.db2.gz MEPUGWLFSKLSKE-GFCCVEGCSA-N -1 3 364.427 0.711 10 0 FCAEHM Cc1cc(=O)[n-]c(CNC(=O)[C@H](C)[C@H](O)CN(C)C(=O)OC(C)(C)C)n1 ZINC001631852387 1282126245 /nfs/dbraw/zinc/12/62/45/1282126245.db2.gz WLLODUSIBNRRFT-VXGBXAGGSA-N -1 3 368.434 0.971 10 0 FCAEHM CCOC(=O)c1nnc([C@H](C)NC(=O)c2[nH]ncc2Br)[n-]1 ZINC001584176379 1282140803 /nfs/dbraw/zinc/14/08/03/1282140803.db2.gz MJGNQZOOQXHTPB-YFKPBYRVSA-N -1 3 357.168 0.958 10 0 FCAEHM COC(OC)C(=O)N1CCN(C(=O)c2cc(NC(C)=O)ccc2[O-])CC1 ZINC001584169562 1282141258 /nfs/dbraw/zinc/14/12/58/1282141258.db2.gz AZVFMVQECYLQIM-UHFFFAOYSA-N -1 3 365.386 0.254 10 0 FCAEHM O=C(CCc1cn[nH]n1)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC001632596172 1282189252 /nfs/dbraw/zinc/18/92/52/1282189252.db2.gz WBSCKEJJTITKST-UHFFFAOYSA-N -1 3 351.388 0.522 10 0 FCAEHM O=C(CCc1c[nH]nn1)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC001632596172 1282189259 /nfs/dbraw/zinc/18/92/59/1282189259.db2.gz WBSCKEJJTITKST-UHFFFAOYSA-N -1 3 351.388 0.522 10 0 FCAEHM COC(=O)c1ccn(CCCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC001632767229 1282206343 /nfs/dbraw/zinc/20/63/43/1282206343.db2.gz IENDRJLSMPUHGZ-UHFFFAOYSA-N -1 3 369.385 0.946 10 0 FCAEHM COC(=O)c1ccn(CCCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001632767229 1282206350 /nfs/dbraw/zinc/20/63/50/1282206350.db2.gz IENDRJLSMPUHGZ-UHFFFAOYSA-N -1 3 369.385 0.946 10 0 FCAEHM COC(=O)[C@H](CCC1OCCO1)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001632767972 1282206764 /nfs/dbraw/zinc/20/67/64/1282206764.db2.gz ZOHBDGFIIVPVKT-JTQLQIEISA-N -1 3 351.359 0.484 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)CCC(=O)N1CCOc2ccccc21 ZINC001585158199 1282207173 /nfs/dbraw/zinc/20/71/73/1282207173.db2.gz QIHUCWBOICBAKY-ZDUSSCGKSA-N -1 3 358.398 0.820 10 0 FCAEHM CN(C)c1cccc(CNC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)n1 ZINC001633380015 1282241930 /nfs/dbraw/zinc/24/19/30/1282241930.db2.gz FUIHXEIDZXKXST-CYBMUJFWSA-N -1 3 357.418 0.721 10 0 FCAEHM O=C(CCNS(=O)(=O)c1ccc(F)cc1)NCCCc1c[n-][nH]c1=O ZINC001585932888 1282257135 /nfs/dbraw/zinc/25/71/35/1282257135.db2.gz BAOLHWRORIPBLT-LLVKDONJSA-N -1 3 370.406 0.122 10 0 FCAEHM O=C(Cn1cnc(-c2ccccc2)cc1=O)N1CCc2c(=O)[n-]cnc2C1 ZINC001634019553 1282293136 /nfs/dbraw/zinc/29/31/36/1282293136.db2.gz JCTPPWKQVSWHEC-UHFFFAOYSA-N -1 3 363.377 0.991 10 0 FCAEHM C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCCCc1c[n-][nH]c1=O ZINC001634139064 1282304038 /nfs/dbraw/zinc/30/40/38/1282304038.db2.gz XIBAGJZLQLTJEU-ZJUUUORDSA-N -1 3 358.445 0.043 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](COC)[C@@H]2CCCOC2)c(C)o1 ZINC001634982434 1282370449 /nfs/dbraw/zinc/37/04/49/1282370449.db2.gz MDJKJDGHSXVGJZ-YPMHNXCESA-N -1 3 360.432 0.668 10 0 FCAEHM CN1CCN(C(=O)Cc2cccc(NC(=O)CCc3nn[n-]n3)c2)CC1 ZINC001635269119 1282390927 /nfs/dbraw/zinc/39/09/27/1282390927.db2.gz FLJYOSYLQPUANE-UHFFFAOYSA-N -1 3 357.418 0.088 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](CC2OCCO2)C(=O)OC)c1 ZINC001588007740 1282394633 /nfs/dbraw/zinc/39/46/33/1282394633.db2.gz BICCMIXYONCTPG-GFCCVEGCSA-N -1 3 364.354 0.551 10 0 FCAEHM CCS(=O)(=O)N1CCC(C(=O)Nc2cc(C(=O)OC(C)C)n[n-]2)CC1 ZINC001636004434 1282452227 /nfs/dbraw/zinc/45/22/27/1282452227.db2.gz AMCFBZOZCGRWGR-UHFFFAOYSA-N -1 3 372.447 0.975 10 0 FCAEHM CCS(=O)(=O)N1CCC(C(=O)Nc2cc(C(=O)OC(C)C)[n-]n2)CC1 ZINC001636004434 1282452229 /nfs/dbraw/zinc/45/22/29/1282452229.db2.gz AMCFBZOZCGRWGR-UHFFFAOYSA-N -1 3 372.447 0.975 10 0 FCAEHM C[C@H](NC(=O)Cn1nc2n(c1=O)CCCCC2)c1nc(C(F)(F)F)n[n-]1 ZINC001636086594 1282459059 /nfs/dbraw/zinc/45/90/59/1282459059.db2.gz ZYPQAWWKPQYFTJ-QMMMGPOBSA-N -1 3 373.339 0.786 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](CS(N)(=O)=O)C2)c1 ZINC001636512428 1282507918 /nfs/dbraw/zinc/50/79/18/1282507918.db2.gz GIMKRNWUBULTKM-JTQLQIEISA-N -1 3 353.400 0.267 10 0 FCAEHM Cn1c2ccc(C(=O)N[C@H]3CCN(c4cc(=O)[n-]cn4)C3)cc2[nH]c1=O ZINC001636855378 1282542724 /nfs/dbraw/zinc/54/27/24/1282542724.db2.gz NPVHSQRCBIFKRE-NSHDSACASA-N -1 3 354.370 0.783 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cccc(-n2cncn2)n1 ZINC001636854557 1282542821 /nfs/dbraw/zinc/54/28/21/1282542821.db2.gz CJGZPBKWGMRSHT-LLVKDONJSA-N -1 3 352.358 0.167 10 0 FCAEHM Cc1csc2ncc(C(=O)N[C@@H]3CCN(c4cc(=O)[n-]cn4)C3)c(=O)n12 ZINC001636855731 1282543179 /nfs/dbraw/zinc/54/31/79/1282543179.db2.gz QTWVMXXFXRHBEQ-SNVBAGLBSA-N -1 3 372.410 0.569 10 0 FCAEHM Cn1cc([C@@H]2[C@@H](C(=O)Nc3cc(Cl)ccc3[O-])[C@@H](O)C(=O)N2C)cn1 ZINC001636866607 1282544316 /nfs/dbraw/zinc/54/43/16/1282544316.db2.gz RBZOSJYELFUKAP-MGPQQGTHSA-N -1 3 364.789 0.908 10 0 FCAEHM CS(=O)(=O)c1ccc(Cl)c(C(=O)NCCCc2cc(=O)[nH][n-]2)n1 ZINC001637041668 1282552664 /nfs/dbraw/zinc/55/26/64/1282552664.db2.gz OQXZQZDFQJNQSA-UHFFFAOYSA-N -1 3 358.807 0.524 10 0 FCAEHM O=C(c1cccc(Cn2ccnn2)c1)N1CCC(Cc2nnn[n-]2)CC1 ZINC001637151899 1282567830 /nfs/dbraw/zinc/56/78/30/1282567830.db2.gz IJAVCDFPJUEPID-UHFFFAOYSA-N -1 3 352.402 0.934 10 0 FCAEHM O=C(c1cccc(Cn2ccnn2)c1)N1CCC(Cc2nn[n-]n2)CC1 ZINC001637151899 1282567845 /nfs/dbraw/zinc/56/78/45/1282567845.db2.gz IJAVCDFPJUEPID-UHFFFAOYSA-N -1 3 352.402 0.934 10 0 FCAEHM Cn1cc([C@H]2C[C@H](NC(=O)c3ccc(-c4nnn[n-]4)cn3)CCO2)cn1 ZINC001637689719 1282614204 /nfs/dbraw/zinc/61/42/04/1282614204.db2.gz WMNLFQOHNAOIQD-TZMCWYRMSA-N -1 3 354.374 0.645 10 0 FCAEHM Cn1cc([C@H]2C[C@H](NC(=O)c3ccc(-c4nn[n-]n4)cn3)CCO2)cn1 ZINC001637689719 1282614219 /nfs/dbraw/zinc/61/42/19/1282614219.db2.gz WMNLFQOHNAOIQD-TZMCWYRMSA-N -1 3 354.374 0.645 10 0 FCAEHM O=C(NCC[C@H]1CNC(=O)C1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001638211222 1282674816 /nfs/dbraw/zinc/67/48/16/1282674816.db2.gz OVDHYLTXKLMJTE-CYBMUJFWSA-N -1 3 360.414 0.386 10 0 FCAEHM CC(=O)Nc1cccnc1C(=O)N1CCN(c2nc(C)cc(=O)[n-]2)CC1 ZINC001638493458 1282702545 /nfs/dbraw/zinc/70/25/45/1282702545.db2.gz ROGJOOLFQZNPRR-UHFFFAOYSA-N -1 3 356.386 0.806 10 0 FCAEHM O=C(CN1CCCC2(CC2)S1(=O)=O)N1CCc2c(=O)[n-]cnc2C1 ZINC001638537682 1282705349 /nfs/dbraw/zinc/70/53/49/1282705349.db2.gz OACCVKHTDWQPJD-UHFFFAOYSA-N -1 3 352.416 0.025 10 0 FCAEHM Cn1ccc(NC(O)=C([O-])[C@@](O)(c2ccccc2)C(F)(F)F)nc1=O ZINC001639577168 1282795503 /nfs/dbraw/zinc/79/55/03/1282795503.db2.gz ONYUWOJYZDQTCI-FZMZJTMJSA-N -1 3 357.288 0.364 10 0 FCAEHM COc1cc(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)cc2c1OCCO2 ZINC001640104274 1282837320 /nfs/dbraw/zinc/83/73/20/1282837320.db2.gz AHQZYXBKPICSKK-GFCCVEGCSA-N -1 3 372.381 0.971 10 0 FCAEHM C[C@]1(C[C@@H]2CCCN2C(=O)c2cc(=O)[n-]c(C3CC3)n2)NC(=O)NC1=O ZINC001640482985 1282866262 /nfs/dbraw/zinc/86/62/62/1282866262.db2.gz FGAJVPFHKLOHKH-DYZYQPBXSA-N -1 3 359.386 0.652 10 0 FCAEHM Cc1cc(NCCNC(=O)CCc2c(C)nc(C)[n-]c2=O)n2ncnc2n1 ZINC001641206509 1282930126 /nfs/dbraw/zinc/93/01/26/1282930126.db2.gz MZKMFGNOWAKQJW-UHFFFAOYSA-N -1 3 370.417 0.706 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)c2ccc(-n3cc[nH]c3=O)cc2)[n-]1 ZINC001641467816 1282953629 /nfs/dbraw/zinc/95/36/29/1282953629.db2.gz ILOQZDVGDKJRFE-UHFFFAOYSA-N -1 3 356.342 0.803 10 0 FCAEHM Cc1cccc2c(=O)n(CCC(=O)NCCCc3c[n-][nH]c3=O)cnc12 ZINC001641484069 1282956691 /nfs/dbraw/zinc/95/66/91/1282956691.db2.gz XZZJTZUIIFUGTH-CYBMUJFWSA-N -1 3 355.398 0.723 10 0 FCAEHM COc1ccc(C)cc1N1C[C@H](C(=O)NCCCc2c[n-][nH]c2=O)CC1=O ZINC001642444867 1283011068 /nfs/dbraw/zinc/01/10/68/1283011068.db2.gz CGBPEWJSZSPBDY-UONOGXRCSA-N -1 3 372.425 0.985 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H](CO)CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001680325821 1283416301 /nfs/dbraw/zinc/41/63/01/1283416301.db2.gz JKXYMGHJBLKEQN-IJLUTSLNSA-N -1 3 350.419 0.380 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@H](CO)NC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001680361194 1283422594 /nfs/dbraw/zinc/42/25/94/1283422594.db2.gz VDULPOXCPZGHEC-YNEHKIRRSA-N -1 3 364.446 0.770 10 0 FCAEHM CCC(CC)[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1O ZINC001682526698 1283648005 /nfs/dbraw/zinc/64/80/05/1283648005.db2.gz MSIZYKYVRLVVDQ-LERXQTSPSA-N -1 3 350.419 0.556 10 0 FCAEHM COC(=O)C[C@@H](CNC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)C1CC1 ZINC001682728403 1283761753 /nfs/dbraw/zinc/76/17/53/1283761753.db2.gz WLTASGAQACVISO-STQMWFEESA-N -1 3 363.418 0.649 10 0 FCAEHM CCC[C@H](C)C(=O)N[C@@H]1CN(C(=O)CCc2c(C)nc[n-]c2=O)C[C@H]1O ZINC001719086226 1287689337 /nfs/dbraw/zinc/68/93/37/1287689337.db2.gz IOINZTQCXDOUNZ-NILFDRSVSA-N -1 3 364.446 0.547 10 0 FCAEHM CO[C@@H](C)C(=O)N[C@@H]1CC[C@H](CNC(=O)CCc2c(C)nc[n-]c2=O)C1 ZINC001684473447 1284183408 /nfs/dbraw/zinc/18/34/08/1284183408.db2.gz PLFJWZDTBIVQHP-MELADBBJSA-N -1 3 364.446 0.859 10 0 FCAEHM CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001684563008 1284202290 /nfs/dbraw/zinc/20/22/90/1284202290.db2.gz ZWSCPYKTJJKVHL-FRRDWIJNSA-N -1 3 367.450 0.218 10 0 FCAEHM Cc1noc([C@@H]2CCCN2C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)n1 ZINC001684562717 1284202449 /nfs/dbraw/zinc/20/24/49/1284202449.db2.gz WVTWMVXWOYUOAC-NEPJUHHUSA-N -1 3 359.390 0.999 10 0 FCAEHM CC[C@H](C(=O)NC[C@H]1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1)N(C)C ZINC001702544199 1285715374 /nfs/dbraw/zinc/71/53/74/1285715374.db2.gz SJJOXMFDKZGNEU-YNEHKIRRSA-N -1 3 351.451 0.779 10 0 FCAEHM CC(=O)N(C)CC(=O)N1C[C@H]2CN(C(=O)c3ccccc3[O-])C[C@@]2(C)C1 ZINC001702764954 1285841241 /nfs/dbraw/zinc/84/12/41/1285841241.db2.gz FNDCWNINPFAVOG-IFXJQAMLSA-N -1 3 359.426 0.791 10 0 FCAEHM Cc1cc(C(=O)NCC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@H]2C)ncn1 ZINC001702831825 1285923880 /nfs/dbraw/zinc/92/38/80/1285923880.db2.gz BCXNRDSNFLZQFU-DGCLKSJQSA-N -1 3 370.413 0.809 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NCC[C@@H]1CN(C(=O)c2cccnn2)C[C@H]1C ZINC001702852838 1285945358 /nfs/dbraw/zinc/94/53/58/1285945358.db2.gz LNDCOZBJQKUYKT-DGCLKSJQSA-N -1 3 370.413 0.809 10 0 FCAEHM CCOCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c(C)nc[n-]c1=O)C2 ZINC001702997720 1286045357 /nfs/dbraw/zinc/04/53/57/1286045357.db2.gz VISJGBSSSPFEIP-YUELXQCFSA-N -1 3 362.430 0.708 10 0 FCAEHM O=C(NCCNC(=O)[C@@H]1CC[C@H](Cc2ccccc2)O1)c1cnc[n-]c1=O ZINC001703238396 1286097108 /nfs/dbraw/zinc/09/71/08/1286097108.db2.gz WJKOARCXSGKXKK-ZBFHGGJFSA-N -1 3 370.409 0.819 10 0 FCAEHM C[C@@](CNC(=O)c1cnc[n-]c1=O)(NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CC1 ZINC001704720097 1286289181 /nfs/dbraw/zinc/28/91/81/1286289181.db2.gz QRGMYCAJLBQISP-QNYBABCDSA-N -1 3 372.425 0.620 10 0 FCAEHM COC(=O)c1ccnc(C(=O)N2CCN(c3nc(C)cc(=O)[n-]3)CC2)c1 ZINC001596360655 1286298157 /nfs/dbraw/zinc/29/81/57/1286298157.db2.gz RUWPRODCIOGJIG-UHFFFAOYSA-N -1 3 357.370 0.635 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC/C=C/CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001705088409 1286347678 /nfs/dbraw/zinc/34/76/78/1286347678.db2.gz LOMJITJIWWXHIN-DQNOIUNYSA-N -1 3 360.414 0.708 10 0 FCAEHM Cc1c(CNC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])cnn1C ZINC001598339690 1286386875 /nfs/dbraw/zinc/38/68/75/1286386875.db2.gz OASGNFVMQWWDPZ-UHFFFAOYSA-N -1 3 357.345 0.846 10 0 FCAEHM Cc1c(CNC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)cnn1C ZINC001598339690 1286386883 /nfs/dbraw/zinc/38/68/83/1286386883.db2.gz OASGNFVMQWWDPZ-UHFFFAOYSA-N -1 3 357.345 0.846 10 0 FCAEHM O=C(CC(F)(F)C(F)F)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1O ZINC001719135928 1287804024 /nfs/dbraw/zinc/80/40/24/1287804024.db2.gz QLIAIIZEPFWAQQ-MWLCHTKSSA-N -1 3 364.295 0.984 10 0 FCAEHM COCCCOCCC(=O)N1C[C@@H](C)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001719180982 1287837480 /nfs/dbraw/zinc/83/74/80/1287837480.db2.gz PXNHMRGGDRLRPJ-TZMCWYRMSA-N -1 3 366.418 0.202 10 0 FCAEHM C[C@@H](C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ccccc2[O-])C1)S(C)(=O)=O ZINC001736109468 1289151005 /nfs/dbraw/zinc/15/10/05/1289151005.db2.gz XHKJUQZJLZCUKG-RWMBFGLXSA-N -1 3 368.455 0.840 10 0 FCAEHM CCC[C@H](OCC)C(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@@H]1O ZINC001719300567 1288065388 /nfs/dbraw/zinc/06/53/88/1288065388.db2.gz UHGAFAQDHYIEPA-KBMXLJTQSA-N -1 3 350.415 0.899 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CN(C(=O)C[C@@H](C)CC(C)C)C[C@@H]1O ZINC001719301676 1288067881 /nfs/dbraw/zinc/06/78/81/1288067881.db2.gz YQMGDKFSHOVIMS-YUTCNCBUSA-N -1 3 364.446 0.864 10 0 FCAEHM COCCC[C@H](C)C(=O)N1CC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)[C@@H]2C1 ZINC001719333154 1288097764 /nfs/dbraw/zinc/09/77/64/1288097764.db2.gz NCWXUQXMWIDZNV-GZBFAFLISA-N -1 3 362.430 0.918 10 0 FCAEHM COCCOCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1c(C)nc[n-]c1=O ZINC001719356089 1288107832 /nfs/dbraw/zinc/10/78/32/1288107832.db2.gz DQJYJIMMLQRGDT-CHWSQXEVSA-N -1 3 366.418 0.311 10 0 FCAEHM O=C(CCc1cncnc1)N[C@@H]1CC[C@H](CNC(=O)c2cnc[n-]c2=O)C1 ZINC001719455934 1288124954 /nfs/dbraw/zinc/12/49/54/1288124954.db2.gz PPXVYXIRGRZKBM-GXTWGEPZSA-N -1 3 370.413 0.620 10 0 FCAEHM CC(F)(F)C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@]23C[C@H]2COC3)n1 ZINC001719522607 1288166511 /nfs/dbraw/zinc/16/65/11/1288166511.db2.gz RGGRZZBNIJLLRU-AYVTZFPOSA-N -1 3 356.329 0.106 10 0 FCAEHM CNC(=O)CC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001719525547 1288167389 /nfs/dbraw/zinc/16/73/89/1288167389.db2.gz PHLZQMYXJVYRRJ-UKRRQHHQSA-N -1 3 370.413 0.055 10 0 FCAEHM CN(C(=O)[C@@H]1C[C@H]1c1ccncc1)[C@H](CNCc1nc(=O)n(C)[n-]1)C1CC1 ZINC001725449624 1288467800 /nfs/dbraw/zinc/46/78/00/1288467800.db2.gz CDORZBKNGNDQGK-ARFHVFGLSA-N -1 3 370.457 0.634 10 0 FCAEHM O=C(NCCC1(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1)c1cnc[n-]c1=O ZINC001735645960 1288763393 /nfs/dbraw/zinc/76/33/93/1288763393.db2.gz ULEBXBOIQKZBQY-MIBAYGRRSA-N -1 3 372.425 0.622 10 0 FCAEHM O=C(NCc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)n1)C(F)F ZINC001736172203 1289188299 /nfs/dbraw/zinc/18/82/99/1289188299.db2.gz OBRZGRJWGJQMLQ-RKDXNWHRSA-N -1 3 366.328 0.207 10 0 FCAEHM CC(=O)N[C@@H](C)C(=O)N1C[C@H]2CCN(C(=O)c3ccccc3[O-])C[C@H]2C1 ZINC001736216853 1289203206 /nfs/dbraw/zinc/20/32/06/1289203206.db2.gz KAWVNPYBDLLFCT-CFVMTHIKSA-N -1 3 359.426 0.837 10 0 FCAEHM COC[C@@H](C)CC(=O)N1C[C@@H](CNC(=O)c2cnc[n-]c2=O)[C@H](C)C1 ZINC001736368849 1289287353 /nfs/dbraw/zinc/28/73/53/1289287353.db2.gz BHYUIZRDUORLFT-YNEHKIRRSA-N -1 3 350.419 0.679 10 0 FCAEHM COCC(=O)N1C[C@@H](CNC(=O)CCc2c(C)nc[n-]c2=O)[C@H](C)C1 ZINC001736371238 1289290015 /nfs/dbraw/zinc/29/00/15/1289290015.db2.gz DSHOVQMBQNNZRL-DGCLKSJQSA-N -1 3 350.419 0.280 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@@H]1CN(C(=O)COC(C)C)C[C@H]1C ZINC001736378755 1289296652 /nfs/dbraw/zinc/29/66/52/1289296652.db2.gz WVWZXOBNDIYDLF-DGCLKSJQSA-N -1 3 350.419 0.740 10 0 FCAEHM Cc1nc(C)c(CC(=O)NCCNC(=O)[C@@H]2C[C@H]2c2ccco2)c(=O)[n-]1 ZINC001736758571 1289490615 /nfs/dbraw/zinc/49/06/15/1289490615.db2.gz KCRPKXGYYVGTBT-ZIAGYGMSSA-N -1 3 358.398 0.971 10 0 FCAEHM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H](CO)NC(=O)c1cccc2n[n-]nc21 ZINC001701698801 1289685633 /nfs/dbraw/zinc/68/56/33/1289685633.db2.gz CTWWGZHIXWGNOJ-RAIGVLPGSA-N -1 3 359.430 0.847 10 0 FCAEHM O=C(N[C@@H](CO)CNC(=O)[C@]12C[C@H]1CCC2)c1nnc2ccccc2c1[O-] ZINC001738899110 1289758967 /nfs/dbraw/zinc/75/89/67/1289758967.db2.gz FEBVYDVMRAOSAT-HNYWDRBLSA-N -1 3 370.409 0.733 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC001615926115 1289766609 /nfs/dbraw/zinc/76/66/09/1289766609.db2.gz ULILUKKSPAATOV-HUUCEWRRSA-N -1 3 357.414 0.562 10 0 FCAEHM CC[C@H](C)CC(=O)N[C@@H]1CN(C(=O)CCc2c(C)nc[n-]c2=O)C[C@H]1O ZINC001702169049 1289777990 /nfs/dbraw/zinc/77/79/90/1289777990.db2.gz KQZFUKLCARNOTG-NILFDRSVSA-N -1 3 364.446 0.547 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@H](NC(=O)[C@]12C[C@H]1COC2)C(C)(C)C ZINC001739103535 1289802866 /nfs/dbraw/zinc/80/28/66/1289802866.db2.gz RKHGFNKOAVGOLZ-PZROIBLQSA-N -1 3 362.430 0.788 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@]2(C)CCNC2=O)ccc1F ZINC001617644553 1289853278 /nfs/dbraw/zinc/85/32/78/1289853278.db2.gz GKVJVWPZAIUMFS-OAHLLOKOSA-N -1 3 357.407 0.521 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1NC(=O)CCc1cncs1 ZINC001702286057 1289963901 /nfs/dbraw/zinc/96/39/01/1289963901.db2.gz WUTZKWFFRMEVND-ZWNOBZJWSA-N -1 3 361.427 0.848 10 0 FCAEHM CC[C@H](C)C(=O)N[C@@H]1CN(C(=O)Cc2c(C)nc(C)[n-]c2=O)C[C@@H]1O ZINC001702332301 1290064959 /nfs/dbraw/zinc/06/49/59/1290064959.db2.gz DVPNQFFHZCSTEV-FZZIBODNSA-N -1 3 350.419 0.076 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCN(C(=O)C2=CS(=O)(=O)CCC2)CC1 ZINC001622312405 1290118154 /nfs/dbraw/zinc/11/81/54/1290118154.db2.gz KBVATXXSYNFVRJ-UHFFFAOYSA-N -1 3 364.423 0.769 10 0 FCAEHM O=C(c1ccn2nnnc2c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001622312223 1290118366 /nfs/dbraw/zinc/11/83/66/1290118366.db2.gz BNSSPWJTJWBSOU-UHFFFAOYSA-N -1 3 352.354 0.428 10 0 FCAEHM CCC[C@H](CC(C)C)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@@H]1O ZINC001702363855 1290136407 /nfs/dbraw/zinc/13/64/07/1290136407.db2.gz WOFCFOLFBOFUGG-YUELXQCFSA-N -1 3 364.446 0.946 10 0 FCAEHM CC/C=C(/C)C(=O)N1C[C@@H](NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)[C@@H](O)C1 ZINC001702375126 1290161075 /nfs/dbraw/zinc/16/10/75/1290161075.db2.gz ALHSHCZVSMTEAK-JYTFZEJGSA-N -1 3 371.393 0.228 10 0 FCAEHM Cc1cccc(CCC(=O)N[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@@H]2O)c1 ZINC001739660762 1290323206 /nfs/dbraw/zinc/32/32/06/1290323206.db2.gz UYVDIJGQVUTFCI-CVEARBPZSA-N -1 3 370.409 0.425 10 0 FCAEHM COCCO[C@@H](C)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2cnc[n-]c2=O)C1 ZINC001739889206 1290424475 /nfs/dbraw/zinc/42/44/75/1290424475.db2.gz VONYDTHBDGFRKJ-RWMBFGLXSA-N -1 3 366.418 0.248 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@]1(C)CN(C(=O)OC(C)(C)C)CCO1 ZINC001627153373 1290441719 /nfs/dbraw/zinc/44/17/19/1290441719.db2.gz ROXBWQSVLLDVRR-YVEFUNNKSA-N -1 3 368.434 0.641 10 0 FCAEHM CO[C@@H]1CCn2cc(C(=O)Nc3[n-]nc4cc(C)n(C)c(=O)c43)nc2C1 ZINC001627186944 1290444583 /nfs/dbraw/zinc/44/45/83/1290444583.db2.gz HYDZJIQIYLJIKN-SNVBAGLBSA-N -1 3 356.386 0.980 10 0 FCAEHM CCO[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CNC(=O)C[C@H](C)OC ZINC001739940451 1290449276 /nfs/dbraw/zinc/44/92/76/1290449276.db2.gz ZMPSBPOZRBDJIE-OUCADQQQSA-N -1 3 366.418 0.201 10 0 FCAEHM CCOCC(=O)N1CC[C@H](NC(=O)Cc2c(C)nc(C)[n-]c2=O)[C@H]1CC ZINC001740002778 1290466470 /nfs/dbraw/zinc/46/64/70/1290466470.db2.gz KEZZHDUNPSQMST-LSDHHAIUSA-N -1 3 364.446 0.874 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCN(c3nncn3C)CC2)c1 ZINC001628121017 1290509237 /nfs/dbraw/zinc/50/92/37/1290509237.db2.gz WRDAKXLXSZBJOR-UHFFFAOYSA-N -1 3 356.386 0.608 10 0 FCAEHM Cc1ccc(S(=O)(=O)NCC(=O)NCc2cc(=O)[n-]c(=S)[nH]2)cc1 ZINC001628255721 1290520389 /nfs/dbraw/zinc/52/03/89/1290520389.db2.gz YZUHAPIPISIPBZ-UHFFFAOYSA-N -1 3 368.440 0.374 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@]1(F)CCN(C(=O)OC(C)(C)C)C1 ZINC001628270350 1290521831 /nfs/dbraw/zinc/52/18/31/1290521831.db2.gz QZPKCVIFGXWBRR-ZBEGNZNMSA-N -1 3 356.398 0.964 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C(=Cc1ccccc1)n1nnnc1C ZINC001628270160 1290522182 /nfs/dbraw/zinc/52/21/82/1290522182.db2.gz OBIXLMVZNALWKJ-GWQWUEFDSA-N -1 3 353.386 0.608 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccccc1S(=O)(=O)C(F)F ZINC001628274597 1290523068 /nfs/dbraw/zinc/52/30/68/1290523068.db2.gz MTHJVWRREDGIIS-SECBINFHSA-N -1 3 359.354 0.925 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1(O)CCC1)C2 ZINC001740351733 1290537908 /nfs/dbraw/zinc/53/79/08/1290537908.db2.gz HFCWZYVPXQOAGN-UPJWGTAASA-N -1 3 360.414 0.657 10 0 FCAEHM O=C(CCc1ccncn1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O ZINC001740360018 1290542061 /nfs/dbraw/zinc/54/20/61/1290542061.db2.gz ASIUUHAEEZUNDB-YUELXQCFSA-N -1 3 368.397 0.467 10 0 FCAEHM CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)[N-]c2nnc3[nH]cnn23)C1 ZINC001628997721 1290568761 /nfs/dbraw/zinc/56/87/61/1290568761.db2.gz CREKFIBQOKEKRI-CQSZACIVSA-N -1 3 351.367 0.417 10 0 FCAEHM CCOC(=O)c1nc([C@H](C)NC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)n[n-]1 ZINC001629028998 1290569814 /nfs/dbraw/zinc/56/98/14/1290569814.db2.gz GYHQYXXIXIGLFN-CABZTGNLSA-N -1 3 361.406 0.962 10 0 FCAEHM O=C(N[C@H]1CC(=O)N(C2CC2)C1)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001629606832 1290615196 /nfs/dbraw/zinc/61/51/96/1290615196.db2.gz KWMYJJGUXHPXCV-NSHDSACASA-N -1 3 372.356 0.367 10 0 FCAEHM O=C(N[C@H]1CC(=O)N(C2CC2)C1)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001629606832 1290615202 /nfs/dbraw/zinc/61/52/02/1290615202.db2.gz KWMYJJGUXHPXCV-NSHDSACASA-N -1 3 372.356 0.367 10 0 FCAEHM CN(C)S(=O)(=O)c1ccsc1C(=O)NCCCc1c[n-][nH]c1=O ZINC001630632731 1290684642 /nfs/dbraw/zinc/68/46/42/1290684642.db2.gz XFEBJZCJKIAKQT-SECBINFHSA-N -1 3 358.445 0.240 10 0 FCAEHM C[C@]1(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)CCNC1=O ZINC001631138669 1290716230 /nfs/dbraw/zinc/71/62/30/1290716230.db2.gz RFUQNPHAXDUXQX-LBPRGKRZSA-N -1 3 365.864 0.322 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCC3(CC2)C[C@H](O)CNC3=O)c1 ZINC001643242091 1290865508 /nfs/dbraw/zinc/86/55/08/1290865508.db2.gz YKFZGDLXEHCQNF-ZDUSSCGKSA-N -1 3 373.409 0.620 10 0 FCAEHM Cc1cc2n[n-]c(NC(=O)c3cnc4c(c3)NC(=O)CN4C)c2c(=O)n1C ZINC001643371330 1290881468 /nfs/dbraw/zinc/88/14/68/1290881468.db2.gz SMUBBXCKHIGGAZ-UHFFFAOYSA-N -1 3 367.369 0.606 10 0 FCAEHM C[C@@H](O)[C@H](NC(=O)C1CCCC1)C(=O)N1CCC(Cc2nnn[n-]2)CC1 ZINC001643900336 1290924126 /nfs/dbraw/zinc/92/41/26/1290924126.db2.gz YJIXEFMUTNJIHR-ABAIWWIYSA-N -1 3 364.450 0.037 10 0 FCAEHM C[C@@H](O)[C@H](NC(=O)C1CCCC1)C(=O)N1CCC(Cc2nn[n-]n2)CC1 ZINC001643900336 1290924131 /nfs/dbraw/zinc/92/41/31/1290924131.db2.gz YJIXEFMUTNJIHR-ABAIWWIYSA-N -1 3 364.450 0.037 10 0 FCAEHM NS(=O)(=O)c1ccc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)c(F)c1 ZINC001644261283 1290950539 /nfs/dbraw/zinc/95/05/39/1290950539.db2.gz QOMTUMIBUCGKHV-QMMMGPOBSA-N -1 3 354.363 0.532 10 0 FCAEHM O=C(CCNS(=O)(=O)c1ccccc1)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001644268896 1290952213 /nfs/dbraw/zinc/95/22/13/1290952213.db2.gz POCVCEMOEDRLKL-UHFFFAOYSA-N -1 3 368.440 0.456 10 0 FCAEHM CCOC(=O)C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001644597238 1290965491 /nfs/dbraw/zinc/96/54/91/1290965491.db2.gz UEGILXHFXDUSON-SECBINFHSA-N -1 3 358.280 0.876 10 0 FCAEHM CCOC(=O)C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001644597238 1290965496 /nfs/dbraw/zinc/96/54/96/1290965496.db2.gz UEGILXHFXDUSON-SECBINFHSA-N -1 3 358.280 0.876 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)[C@@H]3CC(c4cccnc4)=NO3)CC2)n1 ZINC001644863358 1290990146 /nfs/dbraw/zinc/99/01/46/1290990146.db2.gz IQMBLWUAWVQYGK-HNNXBMFYSA-N -1 3 368.397 0.727 10 0 FCAEHM C[C@@H]1[C@H](C)OC[C@]12CC[C@H](CNC(=O)c1ccc(-c3nnn[n-]3)cn1)O2 ZINC001644921499 1290995222 /nfs/dbraw/zinc/99/52/22/1290995222.db2.gz URTNVDQIUSNXDX-WYFUGZQLSA-N -1 3 358.402 0.964 10 0 FCAEHM C[C@@H]1[C@H](C)OC[C@]12CC[C@H](CNC(=O)c1ccc(-c3nn[n-]n3)cn1)O2 ZINC001644921499 1290995230 /nfs/dbraw/zinc/99/52/30/1290995230.db2.gz URTNVDQIUSNXDX-WYFUGZQLSA-N -1 3 358.402 0.964 10 0 FCAEHM Cc1ccc(C(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)c([O-])c1 ZINC001646223608 1291062170 /nfs/dbraw/zinc/06/21/70/1291062170.db2.gz WKFNKBWYXIXNBX-JKGQDXBKSA-N -1 3 366.439 0.642 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 ZINC001647858244 1291079114 /nfs/dbraw/zinc/07/91/14/1291079114.db2.gz GJFZABWHONSHOA-ZDUSSCGKSA-N -1 3 373.388 0.932 10 0 FCAEHM Nc1cn[nH]c1[C@@H]1CCN(C(=O)c2nc[n-]c(=O)c2Br)C1 ZINC001647953839 1291089160 /nfs/dbraw/zinc/08/91/60/1291089160.db2.gz FNCGDGJRRUNMJX-ZCFIWIBFSA-N -1 3 353.180 0.880 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)CC[C@H]2CC[C@H](C3OCCO3)O2)[n-]1 ZINC001648716765 1291138158 /nfs/dbraw/zinc/13/81/58/1291138158.db2.gz FLYSKJJOTGHHKF-GHMZBOCLSA-N -1 3 368.390 0.298 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)[C@@H](C)N2Cc3ccccc3C2=O)[n-]1 ZINC001650942927 1291187655 /nfs/dbraw/zinc/18/76/55/1291187655.db2.gz AUBOCAADSRFUSN-SNVBAGLBSA-N -1 3 357.370 0.642 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCCc2ccc(O)c(CO)c2)c(C)o1 ZINC001651178006 1291201801 /nfs/dbraw/zinc/20/18/01/1291201801.db2.gz KQENRZCUFYYBKZ-UHFFFAOYSA-N -1 3 368.411 0.667 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CC[C@@H](NC(=O)c3ccc4nnn(C)c4c3)C2)n1 ZINC001651886659 1291249213 /nfs/dbraw/zinc/24/92/13/1291249213.db2.gz NROASPRQIZKHAD-GFCCVEGCSA-N -1 3 353.386 0.781 10 0 FCAEHM Cc1occc1C(=O)NCC(=O)N1CCN(c2nc(C)cc(=O)[n-]2)CC1 ZINC001652070982 1291257895 /nfs/dbraw/zinc/25/78/95/1291257895.db2.gz LEQSHMOSLZMDKV-UHFFFAOYSA-N -1 3 359.386 0.471 10 0 FCAEHM CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001653312091 1291334990 /nfs/dbraw/zinc/33/49/90/1291334990.db2.gz AWSXSVJTZCYACT-SDDRHHMPSA-N -1 3 363.418 0.790 10 0 FCAEHM O=C(CSc1nnc2ccccn21)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001653312738 1291335195 /nfs/dbraw/zinc/33/51/95/1291335195.db2.gz NGXMEOSBQMRQPK-LLVKDONJSA-N -1 3 371.426 0.712 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cnc2c(c1)NC(=O)CS2 ZINC001653313568 1291336499 /nfs/dbraw/zinc/33/64/99/1291336499.db2.gz UXUQJMHKRYAMRE-SNVBAGLBSA-N -1 3 372.410 0.630 10 0 FCAEHM O=C(CCCN1C(=O)CNC1=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001653447452 1291344866 /nfs/dbraw/zinc/34/48/66/1291344866.db2.gz IWPCPAWXNVHRJG-HAQNSBGRSA-N -1 3 361.402 0.657 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)[C@H]2CC(c3cccc(OC)c3)=NO2)[n-]1 ZINC001654490432 1291413783 /nfs/dbraw/zinc/41/37/83/1291413783.db2.gz RYDQWNJAXLAQFZ-CYBMUJFWSA-N -1 3 373.369 0.799 10 0 FCAEHM NC(=O)Cc1cccc2c1CCN(Cc1nc3c(c(=O)[n-]1)COCC3)C2 ZINC001654488665 1291413858 /nfs/dbraw/zinc/41/38/58/1291413858.db2.gz FWJJNVKFVYZMPP-UHFFFAOYSA-N -1 3 354.410 0.841 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NC[C@@H]1C[C@H]1C(F)(F)F ZINC001654806803 1291437284 /nfs/dbraw/zinc/43/72/84/1291437284.db2.gz WLRAEPDIHIANPB-DTWKUNHWSA-N -1 3 355.338 0.884 10 0 FCAEHM C[C@]12CN(C(=O)CNC(=O)c3ccc([O-])cc3)C[C@H]1CS(=O)(=O)C2 ZINC001654841677 1291439909 /nfs/dbraw/zinc/43/99/09/1291439909.db2.gz AKOCVRYSWVNILS-BLLLJJGKSA-N -1 3 352.412 0.015 10 0 FCAEHM O=C1NC2(CCS(=O)(=O)CC2)C(=O)N1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001656281686 1291505356 /nfs/dbraw/zinc/50/53/56/1291505356.db2.gz VXXYJKVCKHOMSB-UHFFFAOYSA-N -1 3 366.399 0.059 10 0 FCAEHM Cc1cc(COCC(=O)NC[C@H]2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)no1 ZINC001656308830 1291508205 /nfs/dbraw/zinc/50/82/05/1291508205.db2.gz HUQFFTDNLNYTQT-NWDGAFQWSA-N -1 3 364.406 0.398 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2ccccc2[O-])CCN1C(=O)CS(=O)(=O)NC ZINC001684873406 1292348266 /nfs/dbraw/zinc/34/82/66/1292348266.db2.gz DRHBIYPIDIWMCC-QWHCGFSZSA-N -1 3 369.443 0.051 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2cnc[n-]c2=O)CCN1C(=O)[C@H](C)OCCOC ZINC001684944476 1292375954 /nfs/dbraw/zinc/37/59/54/1292375954.db2.gz SESDKFANLHWWFM-FPMFFAJLSA-N -1 3 366.418 0.343 10 0 FCAEHM CCNC(=O)CC(=O)N1CC[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@@H]2C1 ZINC001685038332 1292404651 /nfs/dbraw/zinc/40/46/51/1292404651.db2.gz VCMAHMLYCJECSW-KGLIPLIRSA-N -1 3 359.426 0.839 10 0 FCAEHM CCOC(=O)[C@H](C)C1CN(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)C1 ZINC001685649296 1292583179 /nfs/dbraw/zinc/58/31/79/1292583179.db2.gz GWZRDPFUOVRIFC-DGCLKSJQSA-N -1 3 363.418 0.602 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CCSC[C@@H]1CCO ZINC001685649492 1292583353 /nfs/dbraw/zinc/58/33/53/1292583353.db2.gz LFDPOUYSGDCWCF-NEPJUHHUSA-N -1 3 353.448 0.270 10 0 FCAEHM CSCC(=O)N1C[C@@H](CNC(=O)CCc2c(C)nc[n-]c2=O)[C@H](C)C1 ZINC001685711917 1292604995 /nfs/dbraw/zinc/60/49/95/1292604995.db2.gz QJSDLFTYUMVOHV-DGCLKSJQSA-N -1 3 366.487 0.997 10 0 FCAEHM COCC(=O)N[C@]12CCC[C@H]1CN(C(=O)Cc1c(C)nc(C)[n-]c1=O)C2 ZINC001686268180 1292866297 /nfs/dbraw/zinc/86/62/97/1292866297.db2.gz YKPAGNHCHZIMNB-UGSOOPFHSA-N -1 3 362.430 0.485 10 0 FCAEHM NC(=O)NCCC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2ccccc2[O-])C1 ZINC001686275982 1292869624 /nfs/dbraw/zinc/86/96/24/1292869624.db2.gz IKPJUGIAISWKKI-SGTLLEGYSA-N -1 3 360.414 0.562 10 0 FCAEHM COc1ccnc(CNC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)c1F ZINC001687096633 1292982993 /nfs/dbraw/zinc/98/29/93/1292982993.db2.gz WYNILOXCMLGSDC-UHFFFAOYSA-N -1 3 363.349 0.797 10 0 FCAEHM CN1CCC2(CCN(C(=O)N[C@H]3CCN(c4cc(=O)[n-]cn4)C3)CC2)C1=O ZINC001687789817 1293012096 /nfs/dbraw/zinc/01/20/96/1293012096.db2.gz MLPSIOIKWHYBSM-ZDUSSCGKSA-N -1 3 374.445 0.415 10 0 FCAEHM NC(=O)[C@@H](F)C1CCN(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)CC1 ZINC001687789464 1293012198 /nfs/dbraw/zinc/01/21/98/1293012198.db2.gz BIYUSVLGHOMXRY-FZMZJTMJSA-N -1 3 366.397 0.006 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)N[C@H]1CCOC12CCOCC2 ZINC001687789837 1293012647 /nfs/dbraw/zinc/01/26/47/1293012647.db2.gz MUSZVRAPWULBGA-STQMWFEESA-N -1 3 363.418 0.398 10 0 FCAEHM CCOC(OCC)[C@H](C)NC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001687789992 1293014205 /nfs/dbraw/zinc/01/42/05/1293014205.db2.gz RCABDWCHZTWOLC-NWDGAFQWSA-N -1 3 353.423 0.848 10 0 FCAEHM CC(C)COC(=O)Cn1cc(I)c(=O)[n-]c1=O ZINC001118415383 847417420 /nfs/dbraw/zinc/41/74/20/847417420.db2.gz AVAKSRVZEWFXNH-UHFFFAOYSA-N -1 3 352.128 0.753 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CC(=O)N2CCCC2)c(Br)n1 ZINC001118933887 847640235 /nfs/dbraw/zinc/64/02/35/847640235.db2.gz VFPHRJRQPAVIFQ-UHFFFAOYSA-N -1 3 351.226 0.083 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)ccc1F ZINC001118984511 847663167 /nfs/dbraw/zinc/66/31/67/847663167.db2.gz DNSZIQHSJMHPKD-LYEQHPFYSA-N -1 3 354.403 0.887 10 0 FCAEHM O=c1[n-]c(CNC[C@@H](O)COCc2cccs2)nc2c1COCC2 ZINC001119002945 847669337 /nfs/dbraw/zinc/66/93/37/847669337.db2.gz FBVHQAKIJKRBRF-LLVKDONJSA-N -1 3 351.428 0.984 10 0 FCAEHM C[C@@]1(C(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)CCNC(=O)C1 ZINC001126924324 848713482 /nfs/dbraw/zinc/71/34/82/848713482.db2.gz SHJGHJQCMTWKIK-OAHLLOKOSA-N -1 3 357.407 0.730 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccncc1NC(=O)C(F)(F)F ZINC001136654012 849233060 /nfs/dbraw/zinc/23/30/60/849233060.db2.gz ORYUPWGBFRQELW-QMMMGPOBSA-N -1 3 357.292 0.824 10 0 FCAEHM CC[C@H](Sc1nc(CC(=O)Nc2nnc(OC)[n-]2)cs1)C(N)=O ZINC001137568051 849272250 /nfs/dbraw/zinc/27/22/50/849272250.db2.gz XJCFUYWVRGLKDX-ZETCQYMHSA-N -1 3 356.433 0.807 10 0 FCAEHM CC[C@H](Sc1nc(CC(=O)Nc2n[n-]c(OC)n2)cs1)C(N)=O ZINC001137568051 849272253 /nfs/dbraw/zinc/27/22/53/849272253.db2.gz XJCFUYWVRGLKDX-ZETCQYMHSA-N -1 3 356.433 0.807 10 0 FCAEHM CC[C@H](Sc1nc(CC(=O)Nc2nc(OC)n[n-]2)cs1)C(N)=O ZINC001137568051 849272255 /nfs/dbraw/zinc/27/22/55/849272255.db2.gz XJCFUYWVRGLKDX-ZETCQYMHSA-N -1 3 356.433 0.807 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)c1n[nH]cc1F ZINC001137705044 849278859 /nfs/dbraw/zinc/27/88/59/849278859.db2.gz DEKZHSOMMIWQSC-UHFFFAOYSA-N -1 3 352.800 0.972 10 0 FCAEHM CS(=O)(=O)Nc1ccc(OCCNC(=O)c2cnncc2[O-])cc1 ZINC001137810873 849285909 /nfs/dbraw/zinc/28/59/09/849285909.db2.gz YVVSPAOJFCJSTM-UHFFFAOYSA-N -1 3 352.372 0.363 10 0 FCAEHM CN(C)CCn1nccc1NC(=O)c1nc[n-]c(=O)c1Br ZINC001141541183 849400732 /nfs/dbraw/zinc/40/07/32/849400732.db2.gz LTJMIMFKSTUATM-UHFFFAOYSA-N -1 3 355.196 0.955 10 0 FCAEHM Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001144502269 849523752 /nfs/dbraw/zinc/52/37/52/849523752.db2.gz IBRVSGVYVNPUFT-VIFPVBQESA-N -1 3 368.390 0.840 10 0 FCAEHM Cc1sc(S(N)(=O)=O)cc1C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001144502919 849524367 /nfs/dbraw/zinc/52/43/67/849524367.db2.gz PTBOYFDWSANOFJ-QMMMGPOBSA-N -1 3 356.429 0.762 10 0 FCAEHM CS(=O)(=O)Cc1ccc(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)cc1 ZINC001144519282 849525275 /nfs/dbraw/zinc/52/52/75/849525275.db2.gz JRGDPWYIAKSERC-UHFFFAOYSA-N -1 3 353.425 0.946 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC001149257791 849634433 /nfs/dbraw/zinc/63/44/33/849634433.db2.gz YTKUXXUGNACIQL-GFCCVEGCSA-N -1 3 364.427 0.369 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)c1ccncc1NC(=O)C(F)(F)F ZINC001149262165 849634630 /nfs/dbraw/zinc/63/46/30/849634630.db2.gz JKOIMPHSYSNGAE-MRVPVSSYSA-N -1 3 357.292 0.824 10 0 FCAEHM NS(=O)(=O)Cc1cccc(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)c1 ZINC001164339707 850409176 /nfs/dbraw/zinc/40/91/76/850409176.db2.gz VPCXZPKXNCDEFU-UHFFFAOYSA-N -1 3 354.413 0.189 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC(C(=O)NOC)CC2)ccc1F ZINC001177097244 850826008 /nfs/dbraw/zinc/82/60/08/850826008.db2.gz SYXDFXMTEGEGBU-UHFFFAOYSA-N -1 3 373.406 0.264 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)C2CCN(C(=O)C(C)C)CC2)[n-]1 ZINC001255633654 858026475 /nfs/dbraw/zinc/02/64/75/858026475.db2.gz TWPKWBQZJBUTFR-UHFFFAOYSA-N -1 3 351.407 0.492 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCc2ncc3c(n2)CCOC3)c(C)o1 ZINC001261525383 858579864 /nfs/dbraw/zinc/57/98/64/858579864.db2.gz BRBZEBHHYVBMJQ-UHFFFAOYSA-N -1 3 366.399 0.289 10 0 FCAEHM COC(=O)[C@@H](C[C@@H]1CCCOC1)NC(=O)CCc1c(C)nc[n-]c1=O ZINC001261842817 858683743 /nfs/dbraw/zinc/68/37/43/858683743.db2.gz LOOVHGIYRNFCHO-GXTWGEPZSA-N -1 3 351.403 0.898 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)CN(C)CC(C)(C)C)CCN1Cc1n[nH]c(=O)[n-]1 ZINC001264062557 859293960 /nfs/dbraw/zinc/29/39/60/859293960.db2.gz KAMYVMWSIHEINX-QWHCGFSZSA-N -1 3 352.483 0.957 10 0 FCAEHM CC[C@H](NC(C)=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001266443323 859482069 /nfs/dbraw/zinc/48/20/69/859482069.db2.gz JFOWWKACNBLUDO-VIFPVBQESA-N -1 3 367.880 0.711 10 0 FCAEHM CCC[C@@H]1C[C@H]1C(=O)N(C)C[C@@H](O)CNC(=O)c1c(C)nc[n-]c1=O ZINC001281270409 863504512 /nfs/dbraw/zinc/50/45/12/863504512.db2.gz JHVABNPZAQFYBE-FRRDWIJNSA-N -1 3 350.419 0.476 10 0 FCAEHM CC(C)CC(C)(C)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@@H]1O ZINC001281937107 863981429 /nfs/dbraw/zinc/98/14/29/863981429.db2.gz NSEIKHPCZDFIFW-OLZOCXBDSA-N -1 3 350.419 0.556 10 0 FCAEHM CO[C@@H](C)CC(=O)NC[C@H]1CC[C@@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001282104920 864057021 /nfs/dbraw/zinc/05/70/21/864057021.db2.gz VKCZDHFRYADSNJ-WCFLWFBJSA-N -1 3 350.419 0.930 10 0 FCAEHM COCC[C@@H](C)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2cnc[n-]c2=O)C1 ZINC001282130674 864072648 /nfs/dbraw/zinc/07/26/48/864072648.db2.gz DLEIBTXVSAZMSL-FRRDWIJNSA-N -1 3 350.419 0.870 10 0 FCAEHM C[C@H](C(=O)N[C@H]1CCN(C(=O)c2ccccc2[O-])[C@@H]1C)S(C)(=O)=O ZINC001282362565 864221809 /nfs/dbraw/zinc/22/18/09/864221809.db2.gz KCWMHTOPYFVAAO-WZRBSPASSA-N -1 3 354.428 0.545 10 0 FCAEHM CO[C@@H](C(=O)NC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C)C(C)C ZINC001282508144 864312537 /nfs/dbraw/zinc/31/25/37/864312537.db2.gz CAOPURKEEWYOPB-YRGRVCCFSA-N -1 3 350.419 0.678 10 0 FCAEHM CC[C@H](CC(F)F)C(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1 ZINC001289657928 865201157 /nfs/dbraw/zinc/20/11/57/865201157.db2.gz BDFGBGRGLKJCKK-IEBDPFPHSA-N -1 3 358.345 0.165 10 0 FCAEHM C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CCN(C(=O)c2ccccc2[O-])[C@@H]1C ZINC001290736025 865508784 /nfs/dbraw/zinc/50/87/84/865508784.db2.gz FBARYUAWQKGLPN-LOWVWBTDSA-N -1 3 369.443 0.049 10 0 FCAEHM CC(C)(C)OC(=O)N1CC(O)(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)C1 ZINC001300196318 866214240 /nfs/dbraw/zinc/21/42/40/866214240.db2.gz VPTFXAYOPWCZPM-JTQLQIEISA-N -1 3 352.391 0.413 10 0 FCAEHM CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001300198235 866214485 /nfs/dbraw/zinc/21/44/85/866214485.db2.gz WUKKITUUGTXBLV-LLVKDONJSA-N -1 3 374.488 0.681 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)c1 ZINC001300222704 866216531 /nfs/dbraw/zinc/21/65/31/866216531.db2.gz PRVYZQPIABRGEG-LLVKDONJSA-N -1 3 353.400 0.280 10 0 FCAEHM Cc1ccc(C(=O)NCCCc2c[n-][nH]c2=O)cc1NS(C)(=O)=O ZINC001301562228 866270772 /nfs/dbraw/zinc/27/07/72/866270772.db2.gz UMQHTQGGPLBTAN-GFCCVEGCSA-N -1 3 352.416 0.608 10 0 FCAEHM CNC(=O)Cc1ccccc1[N-]S(=O)(=O)CC1(OC)CCOCC1 ZINC001349511430 866365561 /nfs/dbraw/zinc/36/55/61/866365561.db2.gz POPHUEMWSJIXHG-UHFFFAOYSA-N -1 3 356.444 0.912 10 0 FCAEHM O=C(NCc1nnc2n1CCNC2=O)c1cc([O-])cc(Br)c1 ZINC001303122901 866381281 /nfs/dbraw/zinc/38/12/81/866381281.db2.gz WDCBACWRBMTERO-UHFFFAOYSA-N -1 3 366.175 0.420 10 0 FCAEHM COC(=O)[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cn(C)nc2Br)C1 ZINC001350877399 866717572 /nfs/dbraw/zinc/71/75/72/866717572.db2.gz XQVCNQLBVVEKIH-SFYZADRCSA-N -1 3 366.237 0.803 10 0 FCAEHM COC(=O)[C@]1(N2CCN([C@@H](C)c3nc(C)cc(=O)[n-]3)CC2)CCOC1 ZINC001351421300 866855891 /nfs/dbraw/zinc/85/58/91/866855891.db2.gz HHOJKVWBLGDREW-GUYCJALGSA-N -1 3 350.419 0.501 10 0 FCAEHM CCOC(=O)C1([N-]S(=O)(=O)C2CCS(=O)(=O)CC2)CCCC1 ZINC001318131851 867611765 /nfs/dbraw/zinc/61/17/65/867611765.db2.gz WMVLXWBFZHNBJB-UHFFFAOYSA-N -1 3 353.462 0.359 10 0 FCAEHM CC(C)n1c(C2CCN(C(=O)Cc3[nH]c(O)nc3O)CC2)n[n-]c1=S ZINC001320230761 868115991 /nfs/dbraw/zinc/11/59/91/868115991.db2.gz ZIVALICWPIEQEF-JTQLQIEISA-N -1 3 366.447 0.452 10 0 FCAEHM COC(=O)c1cc(F)ccc1S(=O)(=O)NC1CCN(CC(=O)[O-])CC1 ZINC001320450426 868172002 /nfs/dbraw/zinc/17/20/02/868172002.db2.gz RIFOKNBLDUNTQG-UHFFFAOYSA-N -1 3 374.390 0.440 10 0 FCAEHM Cc1n[n-]c(S(=O)(=O)CC(=O)NCc2cnn(-c3ccccc3)c2)n1 ZINC001321833546 868631508 /nfs/dbraw/zinc/63/15/08/868631508.db2.gz LOJQTZWIWIWJGA-UHFFFAOYSA-N -1 3 360.399 0.389 10 0 FCAEHM Cc1nnc(S(=O)(=O)CC(=O)NCc2cnn(-c3ccccc3)c2)[n-]1 ZINC001321833546 868631510 /nfs/dbraw/zinc/63/15/10/868631510.db2.gz LOJQTZWIWIWJGA-UHFFFAOYSA-N -1 3 360.399 0.389 10 0 FCAEHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]CCOCCCO ZINC001322061485 868724606 /nfs/dbraw/zinc/72/46/06/868724606.db2.gz QYWMVKCCJMFTNK-UHFFFAOYSA-N -1 3 352.796 0.199 10 0 FCAEHM CN(C)CCN(Cc1ccco1)C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001326242029 870224088 /nfs/dbraw/zinc/22/40/88/870224088.db2.gz UKUHXONTRIEDDE-QWHCGFSZSA-N -1 3 351.403 0.539 10 0 FCAEHM CN(C)CCN(C[C@H]1CCCO1)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001326341855 870265438 /nfs/dbraw/zinc/26/54/38/870265438.db2.gz YICPTKXMOVROIA-CQSZACIVSA-N -1 3 357.451 0.620 10 0 FCAEHM CCOC(=O)CC[C@H](C)NC(=O)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC001327008300 870613119 /nfs/dbraw/zinc/61/31/19/870613119.db2.gz MSDRSEMDRDGIPD-ZETCQYMHSA-N -1 3 365.312 0.288 10 0 FCAEHM O=C(N[C@@H]1CC[C@H](CNC(=O)[C@@]2(F)CCOC2)C1)c1cnc[n-]c1=O ZINC001344310418 870818850 /nfs/dbraw/zinc/81/88/50/870818850.db2.gz INUQSMVAWNCECT-LYOVBCGYSA-N -1 3 352.366 0.326 10 0 FCAEHM COC(=O)c1sc2[n-]c(CN3CCC(CO)(CO)C3)nc(=O)c2c1C ZINC001327588071 870959556 /nfs/dbraw/zinc/95/95/56/870959556.db2.gz KKLMVGNCOODEQI-UHFFFAOYSA-N -1 3 367.427 0.256 10 0 FCAEHM CO[C@H](C(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O)[C@H]1CCOC1 ZINC001328546411 871497149 /nfs/dbraw/zinc/49/71/49/871497149.db2.gz WYZCINQGUFTVMZ-HZMBPMFUSA-N -1 3 360.407 0.865 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H]2C[C@H](C)n3ncnc32)on1 ZINC001329792016 872260408 /nfs/dbraw/zinc/26/04/08/872260408.db2.gz HIRFROBKKOEIIB-WCBMZHEXSA-N -1 3 355.376 0.568 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]C1(c2cc(C)no2)CCOCC1)[C@H]1CCOC1 ZINC001348200547 872626468 /nfs/dbraw/zinc/62/64/68/872626468.db2.gz XOCRGPNXBGDHGB-KBPBESRZSA-N -1 3 374.459 0.960 10 0 FCAEHM CCN1CCN(CCC(=O)NC[C@@H](SCC(=O)[O-])C(F)(F)F)CC1 ZINC001332188606 873404172 /nfs/dbraw/zinc/40/41/72/873404172.db2.gz YHPGIAULPFDDTL-LLVKDONJSA-N -1 3 371.425 0.879 10 0 FCAEHM CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(C(=O)OC)[n-]1 ZINC000292635585 214114442 /nfs/dbraw/zinc/11/44/42/214114442.db2.gz HAXTXCVPTMVVCC-UHFFFAOYSA-N -1 3 363.395 0.912 10 0 FCAEHM COC[C@H]1CN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)CCO1 ZINC000265968991 210257541 /nfs/dbraw/zinc/25/75/41/210257541.db2.gz KCTFWKIZYBLOJT-NWDGAFQWSA-N -1 3 360.407 0.366 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)Cn2cncn2)c(F)cc1C ZINC000293672909 214191705 /nfs/dbraw/zinc/19/17/05/214191705.db2.gz ZOGIZOKMVKHIQZ-JTQLQIEISA-N -1 3 356.379 0.879 10 0 FCAEHM C[C@@](O)(C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O)c1ccc(Cl)cc1 ZINC000294345345 214239482 /nfs/dbraw/zinc/23/94/82/214239482.db2.gz SIAKQSOWYHTRBL-JKSUJKDBSA-N -1 3 351.790 0.748 10 0 FCAEHM C[C@H]1C[C@@H](S(=O)(=O)NCC[N-]S(=O)(=O)c2cccs2)CCO1 ZINC000295208760 214283676 /nfs/dbraw/zinc/28/36/76/214283676.db2.gz UHFIWRWVZXQKIN-QWRGUYRKSA-N -1 3 368.502 0.513 10 0 FCAEHM C[C@@H]1C[C@H](S(=O)(=O)NCCCNC(=O)c2cccc([O-])c2)CCO1 ZINC000295508816 214301912 /nfs/dbraw/zinc/30/19/12/214301912.db2.gz HUOJDYDHEPAEQV-IUODEOHRSA-N -1 3 356.444 0.999 10 0 FCAEHM CC[C@H]([N-]S(=O)(=O)c1ccc(S(C)(=O)=O)nc1)[C@@H](O)C(F)F ZINC000295659078 214311276 /nfs/dbraw/zinc/31/12/76/214311276.db2.gz GDZHJFBLKCWPFX-WCBMZHEXSA-N -1 3 358.388 0.168 10 0 FCAEHM CN(C)C(=O)COc1ccc(C(F)(F)C(=O)[N-][C@H]2CCCNC2=O)cc1 ZINC000295893689 214322287 /nfs/dbraw/zinc/32/22/87/214322287.db2.gz WXJFHRNLBPBXMW-ZDUSSCGKSA-N -1 3 369.368 0.640 10 0 FCAEHM COCCN1C[C@@H](C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)CC1=O ZINC000291502722 214038086 /nfs/dbraw/zinc/03/80/86/214038086.db2.gz HUKJOXGYLBAFOM-JTQLQIEISA-N -1 3 362.386 0.016 10 0 FCAEHM Cc1cc(CS(=O)(=O)NCCCNC(=O)c2cccc([O-])c2)no1 ZINC000265819678 210227996 /nfs/dbraw/zinc/22/79/96/210227996.db2.gz ROQPWYULTIYBMN-UHFFFAOYSA-N -1 3 353.400 0.928 10 0 FCAEHM O=C1CCc2cc(S(=O)(=O)[N-][C@@H]3CCc4ncnn4C3)c(F)cc2N1 ZINC000265019270 210038310 /nfs/dbraw/zinc/03/83/10/210038310.db2.gz YDTATFVYABQBKT-SNVBAGLBSA-N -1 3 365.390 0.595 10 0 FCAEHM C[C@H](CS(C)(=O)=O)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000264963941 210026453 /nfs/dbraw/zinc/02/64/53/210026453.db2.gz OIDZJVFCZIGVSE-ZJUUUORDSA-N -1 3 366.436 0.042 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCC(NC(=O)Oc2ccccc2)CC1 ZINC000264947364 210023344 /nfs/dbraw/zinc/02/33/44/210023344.db2.gz SNMBIVFHXBQFRO-UHFFFAOYSA-N -1 3 360.370 0.318 10 0 FCAEHM Cc1ccc([O-])c(CNCc2ccccc2S(=O)(=O)N(C)CCO)n1 ZINC000264931091 210017335 /nfs/dbraw/zinc/01/73/35/210017335.db2.gz AVMNYALUKUVAKY-UHFFFAOYSA-N -1 3 365.455 0.998 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCO[C@@]2(CCCOC2)C1 ZINC000286539279 213506659 /nfs/dbraw/zinc/50/66/59/213506659.db2.gz YQLOIEVSEMCFQW-WFASDCNBSA-N -1 3 374.484 0.823 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000333117976 215238845 /nfs/dbraw/zinc/23/88/45/215238845.db2.gz ZGMVGYVVEWOQFT-SYEHKZFSSA-N -1 3 357.432 0.642 10 0 FCAEHM O=C(CN1c2ccccc2CCCC1=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000333333512 215266091 /nfs/dbraw/zinc/26/60/91/215266091.db2.gz RHLGWKBHHJMQKG-LJQANCHMSA-N -1 3 370.409 0.557 10 0 FCAEHM COc1cc2cc(C(=O)N3CCC[C@@]4(C3)NC(=O)[N-]C4=O)[nH]c2cc1OC ZINC000333324510 215264480 /nfs/dbraw/zinc/26/44/80/215264480.db2.gz PZBPKMIUGOCNEO-SFHVURJKSA-N -1 3 372.381 0.999 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1)c1nc([C@@H]2CNCCN2C)no1 ZINC000263119594 209700850 /nfs/dbraw/zinc/70/08/50/209700850.db2.gz ATXFCWDEJORXIF-AAEUAGOBSA-N -1 3 351.432 0.685 10 0 FCAEHM COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)c2cccc([O-])c2)C1 ZINC000365173144 215787338 /nfs/dbraw/zinc/78/73/38/215787338.db2.gz RYWXSRFKOOBALR-HNNXBMFYSA-N -1 3 356.444 0.905 10 0 FCAEHM CN(C)C[C@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000411911271 237099415 /nfs/dbraw/zinc/09/94/15/237099415.db2.gz NLWDQBZPDFPIKV-LLVKDONJSA-N -1 3 361.414 0.796 10 0 FCAEHM COc1ccc2c(c1)[n-]cc(C(=O)N1CCC[C@@H]1CS(N)(=O)=O)c2=O ZINC000412133194 237174637 /nfs/dbraw/zinc/17/46/37/237174637.db2.gz XFSHNKUWOBILTB-SNVBAGLBSA-N -1 3 365.411 0.430 10 0 FCAEHM CN(C)C(=O)[C@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000412592479 237230119 /nfs/dbraw/zinc/23/01/19/237230119.db2.gz ZUAWKEGZSCPVIJ-DZGCQCFKSA-N -1 3 359.426 0.934 10 0 FCAEHM CSc1nc2ncnc(N3CCC[C@]4(C3)NC(=O)[N-]C4=O)c2s1 ZINC000366767922 216028770 /nfs/dbraw/zinc/02/87/70/216028770.db2.gz DEUBRDNIHWYFGZ-CYBMUJFWSA-N -1 3 350.429 0.987 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1ccc(-c2nnc3n2CCCC3)cc1 ZINC000366963387 216056890 /nfs/dbraw/zinc/05/68/90/216056890.db2.gz TYKKIGQUWNLOKW-LBPRGKRZSA-N -1 3 354.370 0.818 10 0 FCAEHM C[C@@]1(c2ccc(C(=O)N3CCNC[C@H]3C(F)F)cc2)NC(=O)[N-]C1=O ZINC000367997578 216190493 /nfs/dbraw/zinc/19/04/93/216190493.db2.gz MSHMGTYEFDTPIR-ZBEGNZNMSA-N -1 3 352.341 0.420 10 0 FCAEHM COc1nc(NC(=O)[C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)n[n-]1 ZINC000368033224 216193878 /nfs/dbraw/zinc/19/38/78/216193878.db2.gz DLHHJHRQGJLTJG-SNVBAGLBSA-N -1 3 359.342 0.785 10 0 FCAEHM COc1nnc(NC(=O)[C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)[n-]1 ZINC000368033224 216193879 /nfs/dbraw/zinc/19/38/79/216193879.db2.gz DLHHJHRQGJLTJG-SNVBAGLBSA-N -1 3 359.342 0.785 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)n1 ZINC000368033224 216193881 /nfs/dbraw/zinc/19/38/81/216193881.db2.gz DLHHJHRQGJLTJG-SNVBAGLBSA-N -1 3 359.342 0.785 10 0 FCAEHM O=C1[N-]C(=O)[C@@]2(CCCN([C@@H]3CCCN(c4cccc(F)c4)C3=O)C2)N1 ZINC000248689896 209432835 /nfs/dbraw/zinc/43/28/35/209432835.db2.gz XSDOPMBERIPAAO-KDOFPFPSSA-N -1 3 360.389 0.995 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@H]2CCc3nc[nH]c3C2)s1 ZINC000368192505 216213305 /nfs/dbraw/zinc/21/33/05/216213305.db2.gz YMGQRNBEGWYQIU-VIFPVBQESA-N -1 3 369.472 0.736 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@H]2CCc3[nH]cnc3C2)s1 ZINC000368192505 216213310 /nfs/dbraw/zinc/21/33/10/216213310.db2.gz YMGQRNBEGWYQIU-VIFPVBQESA-N -1 3 369.472 0.736 10 0 FCAEHM O=C1[N-]C(=O)[C@@]2(CCCN(S(=O)(=O)CCc3cccc(Cl)c3)C2)N1 ZINC000368505498 216255583 /nfs/dbraw/zinc/25/55/83/216255583.db2.gz WALOCQCLXKUKLL-HNNXBMFYSA-N -1 3 371.846 0.886 10 0 FCAEHM O=C(CN1CCC[C@]2(C1)NC(=O)[N-]C2=O)NCc1cccc(Cl)c1 ZINC000192637526 209302978 /nfs/dbraw/zinc/30/29/78/209302978.db2.gz VTMCTAWFCZAVOF-MRXNPFEDSA-N -1 3 350.806 0.630 10 0 FCAEHM O=C(CN1CCC[C@]2(C1)NC(=O)[N-]C2=O)NCc1ccc(Cl)cc1 ZINC000192672997 209302238 /nfs/dbraw/zinc/30/22/38/209302238.db2.gz FKWIZIYDPLNWDN-MRXNPFEDSA-N -1 3 350.806 0.630 10 0 FCAEHM C[C@H]1Sc2ccc(C(=O)N3CCC[C@@]4(C3)NC(=O)[N-]C4=O)cc2NC1=O ZINC000279463168 212554556 /nfs/dbraw/zinc/55/45/56/212554556.db2.gz LGXMAZTZIBEOKU-XLFHBGCDSA-N -1 3 374.422 0.934 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(S(=O)(=O)[C@H]3CCO[C@@H]3C)CC2)n[n-]1 ZINC000369338388 216385826 /nfs/dbraw/zinc/38/58/26/216385826.db2.gz IGIFASNLRBVCRM-PWSUYJOCSA-N -1 3 372.447 0.668 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(S(=O)(=O)[C@H]3CCO[C@@H]3C)CC2)[n-]1 ZINC000369338388 216385829 /nfs/dbraw/zinc/38/58/29/216385829.db2.gz IGIFASNLRBVCRM-PWSUYJOCSA-N -1 3 372.447 0.668 10 0 FCAEHM COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)CN1CC(=O)[N-]C1=O ZINC000369412857 216399644 /nfs/dbraw/zinc/39/96/44/216399644.db2.gz UOKAJAIDVSUTIQ-CYBMUJFWSA-N -1 3 374.397 0.485 10 0 FCAEHM Cc1cc(N2CCC[C@@H](NC(=O)CNC(=O)c3cccc([O-])c3)C2)n(C)n1 ZINC000277851095 212402386 /nfs/dbraw/zinc/40/23/86/212402386.db2.gz CMKRPYIKVQKDCL-OAHLLOKOSA-N -1 3 371.441 0.949 10 0 FCAEHM C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1cn(C)c(=O)[n-]c1=O ZINC000277403969 212357175 /nfs/dbraw/zinc/35/71/75/212357175.db2.gz FAXAXXHQUJBNCL-ZYHUDNBSSA-N -1 3 366.418 0.861 10 0 FCAEHM CN(C)c1nc(CN(C)[C@H]2CCN(C(=O)[C@]3(C)CCCO3)C2)cc(=O)[n-]1 ZINC000276625106 212266346 /nfs/dbraw/zinc/26/63/46/212266346.db2.gz WVBIZVXHSORZEA-KSSFIOAISA-N -1 3 363.462 0.850 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(Cn3cccn3)CC2)cn1 ZINC000185802169 209182073 /nfs/dbraw/zinc/18/20/73/209182073.db2.gz PPGUDOLWRLXJNQ-UHFFFAOYSA-N -1 3 363.443 0.739 10 0 FCAEHM COc1ccc(S(=O)(=O)CC(=O)Nc2cccc3c2C(=O)[N-]C3=O)cc1 ZINC000010024510 204388614 /nfs/dbraw/zinc/38/86/14/204388614.db2.gz NDFCWDRCQWVHAK-UHFFFAOYSA-N -1 3 374.374 0.991 10 0 FCAEHM COC(=O)c1ccc(C)c(S(=O)(=O)NC2CCN(CC(=O)[O-])CC2)c1 ZINC000275380363 212016288 /nfs/dbraw/zinc/01/62/88/212016288.db2.gz ZPPJEARGGHUPBD-UHFFFAOYSA-N -1 3 370.427 0.609 10 0 FCAEHM CCCNC(=O)c1cccc(C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000373828907 217064458 /nfs/dbraw/zinc/06/44/58/217064458.db2.gz MTNYPXXJHBNYMK-GOSISDBHSA-N -1 3 358.398 0.641 10 0 FCAEHM C[C@@H]1C[C@H]1N1C[C@H](NC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)CC1=O ZINC000374139272 217100613 /nfs/dbraw/zinc/10/06/13/217100613.db2.gz AMWFPIAEJHSNLH-GLXFQSAKSA-N -1 3 369.418 0.936 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]C[C@@H]2CCC3(CCOCC3)[C@H]2O)nc1Cl ZINC000374736247 217164793 /nfs/dbraw/zinc/16/47/93/217164793.db2.gz MKUOMLVTXBSTIC-JQWIXIFHSA-N -1 3 363.867 0.920 10 0 FCAEHM CS(=O)(=O)[N-]c1cc(C(=O)N2CCN3CCOC[C@@H]3C2)ccc1F ZINC000374968720 217197582 /nfs/dbraw/zinc/19/75/82/217197582.db2.gz IVINPFKTFLAPCL-LBPRGKRZSA-N -1 3 357.407 0.354 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)N1CCO[C@]2(CCOC2)C1 ZINC000375068154 217212891 /nfs/dbraw/zinc/21/28/91/217212891.db2.gz IYZVGQDYKBJHIJ-MRXNPFEDSA-N -1 3 372.418 0.512 10 0 FCAEHM CCOC(=O)[C@]1(Cc2ccccc2)CCCN1C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000375448333 217265924 /nfs/dbraw/zinc/26/59/24/217265924.db2.gz RHCIUMTXMPCEMA-IFXJQAMLSA-N -1 3 373.409 0.752 10 0 FCAEHM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCNC[C@H]1c1cnn(C)c1 ZINC000181446638 209113635 /nfs/dbraw/zinc/11/36/35/209113635.db2.gz SMSYKLBZQKLJIZ-HNNXBMFYSA-N -1 3 369.429 0.089 10 0 FCAEHM Cc1cnc(CNS(=O)(=O)c2sc3c(c2C(=O)[O-])CCNC3)cn1 ZINC000067541851 205374205 /nfs/dbraw/zinc/37/42/05/205374205.db2.gz VNEYGCLYZVCIPY-UHFFFAOYSA-N -1 3 368.440 0.669 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)C2(N3CCOCC3)CCC2)ccc1F ZINC000376039434 217349535 /nfs/dbraw/zinc/34/95/35/217349535.db2.gz QOBZNMGGXIMRBF-UHFFFAOYSA-N -1 3 371.434 0.927 10 0 FCAEHM Cc1nc(CN(C)C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)no1 ZINC000180995553 209108180 /nfs/dbraw/zinc/10/81/80/209108180.db2.gz RJQFXIYCOUONTN-VIFPVBQESA-N -1 3 356.379 0.843 10 0 FCAEHM CCNC(=O)[C@@H]1C[C@@H](NC(=O)CSC)CN1C(=O)c1ccccc1[O-] ZINC000096141487 205832311 /nfs/dbraw/zinc/83/23/11/205832311.db2.gz DCRUWFSMKZGWFI-YPMHNXCESA-N -1 3 365.455 0.591 10 0 FCAEHM Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC000424365111 247200090 /nfs/dbraw/zinc/20/00/90/247200090.db2.gz GIUWFHUZOMQFNZ-FZMZJTMJSA-N -1 3 372.491 0.935 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H]2C[C@H]3C[C@H]3C2)ccc1F ZINC000425829356 247398140 /nfs/dbraw/zinc/39/81/40/247398140.db2.gz GLMFZLVFUJFWAR-DOFRTFSJSA-N -1 3 355.391 0.587 10 0 FCAEHM COC(=O)C1CCN(S(=O)(=O)[N-][C@](C)(c2noc(C)n2)C2CC2)CC1 ZINC000432259529 247805277 /nfs/dbraw/zinc/80/52/77/247805277.db2.gz SWELAEUBHVCRTQ-HNNXBMFYSA-N -1 3 372.447 0.723 10 0 FCAEHM COCC[C@@H](COC)NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436532132 248043523 /nfs/dbraw/zinc/04/35/23/248043523.db2.gz FHFYATPFCVMVKI-AWEZNQCLSA-N -1 3 365.430 0.911 10 0 FCAEHM CC(C)(CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])OCCO ZINC000436761449 248048963 /nfs/dbraw/zinc/04/89/63/248048963.db2.gz KCNYZAYVEBLFQT-AWEZNQCLSA-N -1 3 350.415 0.901 10 0 FCAEHM Cc1cccn2c(=O)c(C(=O)NCCNC(=O)c3ccc([O-])cc3)cnc12 ZINC000436789494 248051334 /nfs/dbraw/zinc/05/13/34/248051334.db2.gz DQJFFRPZPRBWPP-UHFFFAOYSA-N -1 3 366.377 0.868 10 0 FCAEHM C/C=C\C[C@H]([N-]S(=O)(=O)N1CCC[C@H]1C(=O)OCC)C(=O)OCC ZINC000440089126 248156293 /nfs/dbraw/zinc/15/62/93/248156293.db2.gz CPBANSDTJDEURC-KNUBNCPHSA-N -1 3 362.448 0.746 10 0 FCAEHM COC(=O)CC1(NC(=O)c2ccc(C)cc2[O-])CCS(=O)(=O)CC1 ZINC000439371233 248123981 /nfs/dbraw/zinc/12/39/81/248123981.db2.gz LVCLUXATFLYJIQ-UHFFFAOYSA-N -1 3 355.412 0.941 10 0 FCAEHM COC(=O)CC1(NC(=O)c2cc(OC)ccc2[O-])CCS(=O)(=O)CC1 ZINC000439368824 248124114 /nfs/dbraw/zinc/12/41/14/248124114.db2.gz IMKPSMRPEGUTCX-UHFFFAOYSA-N -1 3 371.411 0.641 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cnccc1C(F)(F)F)N1CCOCC1 ZINC000442739841 248294331 /nfs/dbraw/zinc/29/43/31/248294331.db2.gz FWVDVCHMGGVSQG-UHFFFAOYSA-N -1 3 353.322 0.238 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]C[C@H](O)COc2ccc(F)c(F)c2)c1 ZINC000443224133 248312976 /nfs/dbraw/zinc/31/29/76/248312976.db2.gz PTWPLQNKCONPSS-JTQLQIEISA-N -1 3 361.370 0.899 10 0 FCAEHM COC(=O)c1nscc1S(=O)(=O)[N-][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000443314251 248320741 /nfs/dbraw/zinc/32/07/41/248320741.db2.gz QOUAFYUAWKZOBR-IWSPIJDZSA-N -1 3 359.429 0.217 10 0 FCAEHM CCc1ccc(CC)c(NC(=O)C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)c1 ZINC000442049079 248272487 /nfs/dbraw/zinc/27/24/87/248272487.db2.gz QEYZWRMDHBWWBN-AWEZNQCLSA-N -1 3 358.398 0.513 10 0 FCAEHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CCNC(=O)C1 ZINC000443921999 248344099 /nfs/dbraw/zinc/34/40/99/248344099.db2.gz GJLMQNSIZMWOAP-UHFFFAOYSA-N -1 3 350.172 0.863 10 0 FCAEHM O=C(c1cnc2ccc(Br)cc2c1[O-])N1CCNC(=O)C1 ZINC000443921999 248344102 /nfs/dbraw/zinc/34/41/02/248344102.db2.gz GJLMQNSIZMWOAP-UHFFFAOYSA-N -1 3 350.172 0.863 10 0 FCAEHM CN(C[C@H](O)CO)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000444351351 248355729 /nfs/dbraw/zinc/35/57/29/248355729.db2.gz JUQGXGYRZCRFCY-VIFPVBQESA-N -1 3 355.188 0.716 10 0 FCAEHM COCC[C@@]1(NC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)CCOC1 ZINC000446375594 248388309 /nfs/dbraw/zinc/38/83/09/248388309.db2.gz BITRIBNOFRCPCX-BLLLJJGKSA-N -1 3 374.434 0.804 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC[C@@](O)(C(F)F)C1 ZINC000452696104 249328325 /nfs/dbraw/zinc/32/83/25/249328325.db2.gz SWVDZLHFTRFLSP-UFBFGSQYSA-N -1 3 354.400 0.643 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC[C@](O)(C(F)F)C1 ZINC000452696103 249328500 /nfs/dbraw/zinc/32/85/00/249328500.db2.gz SWVDZLHFTRFLSP-QPUJVOFHSA-N -1 3 354.400 0.643 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)NCC1(CF)CCOCC1 ZINC000452798857 249331622 /nfs/dbraw/zinc/33/16/22/249331622.db2.gz UPKUBJIOLVQKTK-UHFFFAOYSA-N -1 3 362.398 0.987 10 0 FCAEHM CC[C@H]1[C@@H](CO)CCN1C(=O)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000452916466 249335711 /nfs/dbraw/zinc/33/57/11/249335711.db2.gz FFFGTWRPIJDJRM-WBMJQRKESA-N -1 3 357.410 0.877 10 0 FCAEHM C[C@@H]1CN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000271390413 211393460 /nfs/dbraw/zinc/39/34/60/211393460.db2.gz LDZFMABUFOWANI-AXFHLTTASA-N -1 3 354.407 0.441 10 0 FCAEHM CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000271368822 211388958 /nfs/dbraw/zinc/38/89/58/211388958.db2.gz BJMBBGORQQHCMC-JTQLQIEISA-N -1 3 356.423 0.784 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000271269893 211368246 /nfs/dbraw/zinc/36/82/46/211368246.db2.gz DCLPBCWYNOXGAJ-JTQLQIEISA-N -1 3 356.176 0.151 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](C)[C@@H](C)CO)cc1F ZINC000271213453 211356409 /nfs/dbraw/zinc/35/64/09/211356409.db2.gz MKSCTDJAHPDARN-VHSXEESVSA-N -1 3 368.452 0.883 10 0 FCAEHM Cc1cc(-c2noc([C@H](C)NC(=O)C[C@@H]3NC(=O)[N-]C3=O)n2)ccc1F ZINC000270936105 211302718 /nfs/dbraw/zinc/30/27/18/211302718.db2.gz ZBRIGPLIGAZHDD-KWQFWETISA-N -1 3 361.333 0.959 10 0 FCAEHM O=C(NC[C@@H]1CCCCN1C(=O)C[C@@H]1NC(=O)[N-]C1=O)Nc1ccccc1 ZINC000270842238 211280786 /nfs/dbraw/zinc/28/07/86/211280786.db2.gz IDGCTRHIXZYSDW-KBPBESRZSA-N -1 3 373.413 0.787 10 0 FCAEHM CCOC(=O)c1sc(NC(=O)CN2CC(=O)[N-]C2=O)nc1C(C)C ZINC000270756455 211262192 /nfs/dbraw/zinc/26/21/92/211262192.db2.gz NSHYFJOWJFPLAY-UHFFFAOYSA-N -1 3 354.388 0.934 10 0 FCAEHM C[C@@](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000270623194 211236038 /nfs/dbraw/zinc/23/60/38/211236038.db2.gz UEJUNGBDAOVWSY-XPTSAGLGSA-N -1 3 372.303 0.120 10 0 FCAEHM CSc1ccccc1NC(=O)CN(C)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000270591023 211231718 /nfs/dbraw/zinc/23/17/18/211231718.db2.gz INMNFHCOPWWBFE-JTQLQIEISA-N -1 3 350.400 0.404 10 0 FCAEHM CCN(CC1CCN(c2ccccn2)CC1)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000270585007 211228622 /nfs/dbraw/zinc/22/86/22/211228622.db2.gz KLSFOCBEDDVRPH-AWEZNQCLSA-N -1 3 359.430 0.745 10 0 FCAEHM COC(=O)Cc1n[n-]c(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccnc2)n1 ZINC000469899242 250011588 /nfs/dbraw/zinc/01/15/88/250011588.db2.gz RLPFTJNHXHHKBD-QMTHXVAHSA-N -1 3 358.358 0.073 10 0 FCAEHM COC(=O)Cc1nnc(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccnc2)[n-]1 ZINC000469899242 250011591 /nfs/dbraw/zinc/01/15/91/250011591.db2.gz RLPFTJNHXHHKBD-QMTHXVAHSA-N -1 3 358.358 0.073 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccnc2)n[n-]1 ZINC000469899242 250011595 /nfs/dbraw/zinc/01/15/95/250011595.db2.gz RLPFTJNHXHHKBD-QMTHXVAHSA-N -1 3 358.358 0.073 10 0 FCAEHM COC[C@H](CCO)[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000270374625 211192342 /nfs/dbraw/zinc/19/23/42/211192342.db2.gz LDGFTIHWMGHHKZ-JTQLQIEISA-N -1 3 351.808 0.802 10 0 FCAEHM COCCCS(=O)(=O)[N-]CC(=O)Nc1ccc2ccc(=O)n(C)c2c1 ZINC000470463951 250045072 /nfs/dbraw/zinc/04/50/72/250045072.db2.gz FTHRYKYZVATRLI-UHFFFAOYSA-N -1 3 367.427 0.433 10 0 FCAEHM CO[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)C1 ZINC000472196123 250137380 /nfs/dbraw/zinc/13/73/80/250137380.db2.gz FOFPRMGFIYAZRI-VXGBXAGGSA-N -1 3 362.473 0.783 10 0 FCAEHM Cc1nnnn1-c1cc(NC(=O)C(=O)NCc2ncccc2[O-])ccc1F ZINC000473046434 250195553 /nfs/dbraw/zinc/19/55/53/250195553.db2.gz LIEBLUACKNQLJC-UHFFFAOYSA-N -1 3 371.332 0.465 10 0 FCAEHM Cc1c(NC(=O)C(=O)NCc2ncccc2[O-])cccc1N1CCNC1=O ZINC000473061867 250196380 /nfs/dbraw/zinc/19/63/80/250196380.db2.gz AKUMIPYMLHEOIR-UHFFFAOYSA-N -1 3 369.381 0.880 10 0 FCAEHM CCNC(=O)COc1cccc(NC(=O)C(=O)NCc2ncccc2[O-])c1 ZINC000473058485 250196465 /nfs/dbraw/zinc/19/64/65/250196465.db2.gz NKBNCILWJFREDS-UHFFFAOYSA-N -1 3 372.381 0.557 10 0 FCAEHM CN1C(=O)c2ccc(NC(=O)C(=O)NCc3ncccc3[O-])cc2C1=O ZINC000473066340 250196592 /nfs/dbraw/zinc/19/65/92/250196592.db2.gz SMXBWSRMDIEQRJ-UHFFFAOYSA-N -1 3 354.322 0.268 10 0 FCAEHM O=C(CCC(=O)N1CCN(c2ncccn2)CC1)NCc1ncccc1[O-] ZINC000473629884 250242203 /nfs/dbraw/zinc/24/22/03/250242203.db2.gz PFBGFWLWISMRFR-UHFFFAOYSA-N -1 3 370.413 0.322 10 0 FCAEHM O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000473928000 250257932 /nfs/dbraw/zinc/25/79/32/250257932.db2.gz LNZKUXWGRFZNDR-KBPBESRZSA-N -1 3 368.397 0.904 10 0 FCAEHM O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000473928000 250257936 /nfs/dbraw/zinc/25/79/36/250257936.db2.gz LNZKUXWGRFZNDR-KBPBESRZSA-N -1 3 368.397 0.904 10 0 FCAEHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]CC[C@H](C)[S@](C)=O)s1 ZINC000481080736 250313192 /nfs/dbraw/zinc/31/31/92/250313192.db2.gz YVSQQXUWNNLLQD-CWKPULSASA-N -1 3 366.530 0.862 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC[C@@H](C)[S@](C)=O)s1 ZINC000481074966 250313635 /nfs/dbraw/zinc/31/36/35/250313635.db2.gz FBHVPAAMDXMMJZ-YBYGRFCBSA-N -1 3 352.503 0.820 10 0 FCAEHM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-]C[C@@H](O)C(C)C)c1 ZINC000269767239 211071144 /nfs/dbraw/zinc/07/11/44/211071144.db2.gz LLKRQYPDUBSSPI-GFCCVEGCSA-N -1 3 359.400 0.555 10 0 FCAEHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C(C)(C)[C@H](O)C(=O)OC)c1 ZINC000480840106 250286415 /nfs/dbraw/zinc/28/64/15/250286415.db2.gz GWOYBVDBVMGLFV-LLVKDONJSA-N -1 3 363.363 0.203 10 0 FCAEHM CN(CC[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)CC(F)(F)F ZINC000482132097 250379023 /nfs/dbraw/zinc/37/90/23/250379023.db2.gz PYKMMFDDIRYLIF-UHFFFAOYSA-N -1 3 374.406 0.863 10 0 FCAEHM COC[C@](C)(CCO)NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000482571693 250393588 /nfs/dbraw/zinc/39/35/88/250393588.db2.gz BLUVHJCULWNDRL-IBGZPJMESA-N -1 3 374.441 0.977 10 0 FCAEHM CCN(C(=O)C[N-]S(=O)(=O)c1cn(C)cn1)[C@@H](C)c1cccnc1 ZINC000088680915 208121141 /nfs/dbraw/zinc/12/11/41/208121141.db2.gz CICKEEHIQMWEKR-LBPRGKRZSA-N -1 3 351.432 0.703 10 0 FCAEHM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCCCCN1CCOCC1 ZINC000104145545 208181865 /nfs/dbraw/zinc/18/18/65/208181865.db2.gz CRQMQTWTOVYNFU-UHFFFAOYSA-N -1 3 361.446 0.411 10 0 FCAEHM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1cc(-c2nccn2C)n[nH]1 ZINC000119373450 208357877 /nfs/dbraw/zinc/35/78/77/208357877.db2.gz VEOYISUKWGBDGC-UHFFFAOYSA-N -1 3 366.385 0.944 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC[C@@H](O)c1cnn(C)c1 ZINC000266551457 210356232 /nfs/dbraw/zinc/35/62/32/210356232.db2.gz LMNOYGXFUXCNNW-GXFFZTMASA-N -1 3 370.406 0.076 10 0 FCAEHM Cc1cc(N2CC[C@H](Sc3nnc4[n-]c(=O)c(C)nn43)C2=O)n(C)n1 ZINC000266227048 210306149 /nfs/dbraw/zinc/30/61/49/210306149.db2.gz HCXSXTAIFNWVPC-VIFPVBQESA-N -1 3 360.403 0.473 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2Cc3ccccc3[C@@H]2O)c(C)o1 ZINC000178676399 209058487 /nfs/dbraw/zinc/05/84/87/209058487.db2.gz HWZOFWZXTFYLEZ-ZFWWWQNUSA-N -1 3 350.396 0.884 10 0 FCAEHM O=C(NC[C@H]1CN2CCN1CC2)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000179025241 209069733 /nfs/dbraw/zinc/06/97/33/209069733.db2.gz WVYOZNQTYAQQDZ-HOCLYGCPSA-N -1 3 358.442 0.113 10 0 FCAEHM O=C([C@@H]1CC(=O)N(CCc2ccccc2)C1)N1CCc2nc[n-]c(=O)c2C1 ZINC000179050961 209072152 /nfs/dbraw/zinc/07/21/52/209072152.db2.gz WQIBHFGEJROBQE-OAHLLOKOSA-N -1 3 366.421 0.746 10 0 FCAEHM CS(=O)(=O)NC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000409783409 533409181 /nfs/dbraw/zinc/40/91/81/533409181.db2.gz BACIKEDQPIXJFE-BXKDBHETSA-N -1 3 368.427 0.961 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1ccccc1F)c1nc([C@H]2CNCCN2C)no1 ZINC000263239830 533486593 /nfs/dbraw/zinc/48/65/93/533486593.db2.gz OKIPFENYIZLCFF-ZYHUDNBSSA-N -1 3 369.422 0.824 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CCC[C@@H](n2cncn2)C1 ZINC000171822862 229207806 /nfs/dbraw/zinc/20/78/06/229207806.db2.gz ZWZLFGOLTMUEJR-GFCCVEGCSA-N -1 3 369.472 0.872 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCC[C@@H](O)C(F)(F)F ZINC000410062274 230058485 /nfs/dbraw/zinc/05/84/85/230058485.db2.gz OXGHMVMNZNOPTK-JGVFFNPUSA-N -1 3 360.379 0.844 10 0 FCAEHM COc1cc(C)c(NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)cc1C ZINC000278299387 488866585 /nfs/dbraw/zinc/86/65/85/488866585.db2.gz BSAGFDDFOHUIGU-UHFFFAOYSA-N -1 3 352.416 0.963 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)CC2(n3cnnn3)CCOCC2)n[n-]1 ZINC000621925873 484077443 /nfs/dbraw/zinc/07/74/43/484077443.db2.gz QDYPDFSUBPZSJE-UHFFFAOYSA-N -1 3 357.378 0.331 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)CC2(n3cnnn3)CCOCC2)[n-]n1 ZINC000621925873 484077448 /nfs/dbraw/zinc/07/74/48/484077448.db2.gz QDYPDFSUBPZSJE-UHFFFAOYSA-N -1 3 357.378 0.331 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)NCC(=O)NCc1ccco1 ZINC000007118857 487503073 /nfs/dbraw/zinc/50/30/73/487503073.db2.gz XFEUDWKJUWYUEQ-UHFFFAOYSA-N -1 3 370.365 0.518 10 0 FCAEHM C[C@@H]1C[C@@H]1N1C[C@H]([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)CC1=O ZINC000363701326 488875938 /nfs/dbraw/zinc/87/59/38/488875938.db2.gz SOAZIOZNICJUKC-UTUOFQBUSA-N -1 3 372.468 0.378 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@]2(O)CCO[C@@H]2C)c(Cl)c1 ZINC000278625319 488885470 /nfs/dbraw/zinc/88/54/70/488885470.db2.gz DSHTZURQXVZUPC-OTYXRUKQSA-N -1 3 363.819 0.945 10 0 FCAEHM Cc1cccc(OCCNC(=O)[C@@H](C)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000279002288 488909596 /nfs/dbraw/zinc/90/95/96/488909596.db2.gz CWQXRQGNLLWHPA-KUHUBIRLSA-N -1 3 374.441 0.553 10 0 FCAEHM O=C(CN1CCC[C@]2(C1)NC(=O)[N-]C2=O)N1CCSc2ccccc21 ZINC000279006273 488910383 /nfs/dbraw/zinc/91/03/83/488910383.db2.gz DMZQNFSXHACUCT-QGZVFWFLSA-N -1 3 360.439 0.799 10 0 FCAEHM CCCOc1ccc(CNC(=O)CN2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000279044489 488912796 /nfs/dbraw/zinc/91/27/96/488912796.db2.gz JTHNSWMKPJHGGP-LJQANCHMSA-N -1 3 374.441 0.766 10 0 FCAEHM CC(=O)c1cccc(OC[C@H](O)CN2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000279071827 488914652 /nfs/dbraw/zinc/91/46/52/488914652.db2.gz MSLXWCSGNOTFDT-RDTXWAMCSA-N -1 3 361.398 0.303 10 0 FCAEHM CCOCc1ccc(CNC(=O)CN2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000279101849 488917489 /nfs/dbraw/zinc/91/74/89/488917489.db2.gz QZGAPXFLFPSKDD-IBGZPJMESA-N -1 3 374.441 0.513 10 0 FCAEHM CN(Cc1cc(=O)[n-]c(N)n1)[C@@H]1CCN(C(=O)[C@H]2COc3ccccc32)C1 ZINC000328648415 488926368 /nfs/dbraw/zinc/92/63/68/488926368.db2.gz UMQCNQGYTHNYHS-HIFRSBDPSA-N -1 3 369.425 0.973 10 0 FCAEHM CCOC(=O)c1cnc(NC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)n1C ZINC000288069262 488939865 /nfs/dbraw/zinc/93/98/65/488939865.db2.gz UGNSVSIIFCBOAK-SNVBAGLBSA-N -1 3 360.436 0.499 10 0 FCAEHM CC(=O)N(CCC(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O)Cc1ccccc1 ZINC000279374826 488936868 /nfs/dbraw/zinc/93/68/68/488936868.db2.gz DZXMIHKYOVFJNT-IBGZPJMESA-N -1 3 372.425 0.626 10 0 FCAEHM CC(=O)N(CCC(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O)Cc1ccccc1 ZINC000279374832 488937027 /nfs/dbraw/zinc/93/70/27/488937027.db2.gz DZXMIHKYOVFJNT-LJQANCHMSA-N -1 3 372.425 0.626 10 0 FCAEHM CCc1[nH]c(C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c(C)c1C(=O)OC ZINC000279524388 488950320 /nfs/dbraw/zinc/95/03/20/488950320.db2.gz PSUGOPIQFDDIBU-KRWDZBQOSA-N -1 3 362.386 0.486 10 0 FCAEHM Cc1ccc(C)n1-c1c(C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)cnn1C ZINC000279564858 488952597 /nfs/dbraw/zinc/95/25/97/488952597.db2.gz SKLCDEUMUVBWOY-GOSISDBHSA-N -1 3 370.413 0.642 10 0 FCAEHM O=C(CN1C(=O)CSc2ccccc21)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279638507 488958872 /nfs/dbraw/zinc/95/88/72/488958872.db2.gz YTHXPFAINSFFPW-KRWDZBQOSA-N -1 3 374.422 0.326 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)NCCNC(=O)c1ccccc1 ZINC000032952911 487787966 /nfs/dbraw/zinc/78/79/66/487787966.db2.gz KJKOYNNIGOSJNI-UHFFFAOYSA-N -1 3 367.452 0.573 10 0 FCAEHM CCOc1ccc(CN2CCN(C(=O)C[C@@H]3NC(=O)[N-]C3=O)CC2)cc1 ZINC000042848737 487879853 /nfs/dbraw/zinc/87/98/53/487879853.db2.gz ZCCIEKQCADABDZ-HNNXBMFYSA-N -1 3 360.414 0.328 10 0 FCAEHM NC(=O)Cn1cc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cn1 ZINC000053414170 488200706 /nfs/dbraw/zinc/20/07/06/488200706.db2.gz GWZPAQZSVHAVAM-CYBMUJFWSA-N -1 3 357.370 0.317 10 0 FCAEHM COC(=O)[C@H](CF)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000288342470 488971843 /nfs/dbraw/zinc/97/18/43/488971843.db2.gz PIXHKUDKMXQWFB-WPRPVWTQSA-N -1 3 350.343 0.120 10 0 FCAEHM C[C@@H](Cn1cncn1)NC(=O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000068087191 488360545 /nfs/dbraw/zinc/36/05/45/488360545.db2.gz GFZAEFHLGKJVEY-NSHDSACASA-N -1 3 355.395 0.291 10 0 FCAEHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]CCCn2ccnn2)s1 ZINC000183165612 488391398 /nfs/dbraw/zinc/39/13/98/488391398.db2.gz UKDSBECTVOAULC-UHFFFAOYSA-N -1 3 357.461 0.387 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCO[C@H](c3ccsc3)C2)c1 ZINC000268220996 488398226 /nfs/dbraw/zinc/39/82/26/488398226.db2.gz MCABCRUMPIOGIH-LBPRGKRZSA-N -1 3 370.456 0.360 10 0 FCAEHM CCC(=O)N1CC[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000268506469 488425826 /nfs/dbraw/zinc/42/58/26/488425826.db2.gz JDIBSJZQMBLAJX-NWDGAFQWSA-N -1 3 371.434 0.620 10 0 FCAEHM CCN(C[C@H]1CCN(C(=O)CN2CC(=O)[N-]C2=O)C1)CC(F)(F)F ZINC000081447937 488441837 /nfs/dbraw/zinc/44/18/37/488441837.db2.gz ZGJZJYNKGFDCSK-SNVBAGLBSA-N -1 3 350.341 0.271 10 0 FCAEHM C[C@@]1(c2cccc(C(=O)NCCCCN3CCOCC3)c2)NC(=O)[N-]C1=O ZINC000269129155 488472002 /nfs/dbraw/zinc/47/20/02/488472002.db2.gz GCQHDFSISHLXSK-IBGZPJMESA-N -1 3 374.441 0.583 10 0 FCAEHM COC(=O)[C@H]1CCCN(C(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)C1 ZINC000269179984 488476713 /nfs/dbraw/zinc/47/67/13/488476713.db2.gz AZXZXSUQIUXSJM-SGTLLEGYSA-N -1 3 359.382 0.766 10 0 FCAEHM Cn1ccnc1CN1CCN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)CC1 ZINC000106289797 488513480 /nfs/dbraw/zinc/51/34/80/488513480.db2.gz IGZCRGNCHCXEON-UHFFFAOYSA-N -1 3 353.382 0.262 10 0 FCAEHM CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)c1 ZINC000271637794 488534065 /nfs/dbraw/zinc/53/40/65/488534065.db2.gz ZJSDPIBKFOVFHS-CABZTGNLSA-N -1 3 368.415 0.300 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)N[C@@H]1CCc2ncnn2C1 ZINC000112663669 488535415 /nfs/dbraw/zinc/53/54/15/488535415.db2.gz CYKBHRBKONQUDL-SNVBAGLBSA-N -1 3 355.445 0.139 10 0 FCAEHM CCOCCN1CCN(C(=O)CCc2c(C)nc(C)[n-]c2=O)C[C@H]1C ZINC000117283104 488550639 /nfs/dbraw/zinc/55/06/39/488550639.db2.gz KIEORSYQOTZXTI-CYBMUJFWSA-N -1 3 350.463 0.889 10 0 FCAEHM C[C@@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000272025031 488559219 /nfs/dbraw/zinc/55/92/19/488559219.db2.gz NQKWVHDPUPXGSQ-MXWKQRLJSA-N -1 3 354.407 0.441 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]CC(=O)NCC2CC2)c(Cl)c1 ZINC000272082069 488561871 /nfs/dbraw/zinc/56/18/71/488561871.db2.gz BGSLNULQBMKKEH-UHFFFAOYSA-N -1 3 360.819 0.931 10 0 FCAEHM Cc1cnn(CCNC(=O)NCC[N-]S(=O)(=O)c2cccs2)c1 ZINC000121413596 488567843 /nfs/dbraw/zinc/56/78/43/488567843.db2.gz TUGWRMPVINEYBA-UHFFFAOYSA-N -1 3 357.461 0.531 10 0 FCAEHM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)CN2CC(=O)[N-]C2=O)C1 ZINC000272430376 488580140 /nfs/dbraw/zinc/58/01/40/488580140.db2.gz HMXADAAKTIVOKK-MNOVXSKESA-N -1 3 354.407 0.300 10 0 FCAEHM CC[C@H](C)C[C@H]([N-]S(=O)(=O)C[C@H]1CCCS(=O)(=O)C1)C(=O)OC ZINC000569966342 491207283 /nfs/dbraw/zinc/20/72/83/491207283.db2.gz TVPGLFODHLFLMI-AVGNSLFASA-N -1 3 369.505 0.708 10 0 FCAEHM CN(CC(=O)[O-])C[C@@H]1CN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)CCO1 ZINC000262732164 488588244 /nfs/dbraw/zinc/58/82/44/488588244.db2.gz BDQAVGLKYWGKKI-HIFRSBDPSA-N -1 3 368.817 0.887 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]C[C@@H]2CS(=O)(=O)c3ccccc3O2)c1 ZINC000563058929 491211009 /nfs/dbraw/zinc/21/10/09/491211009.db2.gz OVXHMPQWCHYASR-LLVKDONJSA-N -1 3 371.440 0.416 10 0 FCAEHM CN(CC(=O)[O-])C[C@H]1CN(C(=O)c2ccccc2-n2cccn2)CCO1 ZINC000262873308 488597433 /nfs/dbraw/zinc/59/74/33/488597433.db2.gz MOMKBKXPWGZPJI-AWEZNQCLSA-N -1 3 358.398 0.730 10 0 FCAEHM CN(CC(=O)[O-])C[C@@H]1CN(C(=O)c2coc(Br)c2)CCO1 ZINC000262966733 488600977 /nfs/dbraw/zinc/60/09/77/488600977.db2.gz RBJXCCWYPNCZQQ-SNVBAGLBSA-N -1 3 361.192 0.900 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@@H]1CCCN(c2cccnc2)C1=O)C1CC1 ZINC000563061350 491211459 /nfs/dbraw/zinc/21/14/59/491211459.db2.gz GIVIFLZFWDNELG-HUUCEWRRSA-N -1 3 353.444 0.921 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@H]1CCCN(c2cccnc2)C1=O)C1CC1 ZINC000563061351 491211605 /nfs/dbraw/zinc/21/16/05/491211605.db2.gz GIVIFLZFWDNELG-LSDHHAIUSA-N -1 3 353.444 0.921 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)NC[C@@H](O)Cc1ccccc1 ZINC000126827285 488612395 /nfs/dbraw/zinc/61/23/95/488612395.db2.gz MMBGVPKDLLGGNI-HNNXBMFYSA-N -1 3 367.405 0.800 10 0 FCAEHM CCc1ccc(CN2CCN(C(=O)CC[C@@H]3NC(=O)[N-]C3=O)CC2)s1 ZINC000128617690 488625468 /nfs/dbraw/zinc/62/54/68/488625468.db2.gz UNWWTKHHQKXJTD-AWEZNQCLSA-N -1 3 364.471 0.943 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)NCc2nccn2CC(C)C)cn1C ZINC000131205892 488643592 /nfs/dbraw/zinc/64/35/92/488643592.db2.gz IUVAJMLZNUDWPG-UHFFFAOYSA-N -1 3 368.463 0.176 10 0 FCAEHM CC[C@@H]1C(=O)NCCN1C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000264421407 488672247 /nfs/dbraw/zinc/67/22/47/488672247.db2.gz KBPFYEIZKMVFNG-CMPLNLGQSA-N -1 3 357.407 0.230 10 0 FCAEHM COC(=O)[C@H](CC(C)C)NC(=O)C[N-]S(=O)(=O)Cc1cc(C)on1 ZINC000273938753 488675684 /nfs/dbraw/zinc/67/56/84/488675684.db2.gz LFYUFFKGGKRJOV-LBPRGKRZSA-N -1 3 361.420 0.106 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCCC[C@H]2c2nccs2)c1 ZINC000151267991 488703337 /nfs/dbraw/zinc/70/33/37/488703337.db2.gz ZFJJLCGFWIMAEL-NSHDSACASA-N -1 3 369.472 0.909 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000264778766 488710653 /nfs/dbraw/zinc/71/06/53/488710653.db2.gz WEEPEEKMZWSRCN-UHFFFAOYSA-N -1 3 373.409 0.938 10 0 FCAEHM C[C@H]1CN(Cc2csc(NC(=O)CN3CC(=O)[N-]C3=O)n2)C[C@H](C)O1 ZINC000264810300 488714764 /nfs/dbraw/zinc/71/47/64/488714764.db2.gz ZVOVEOOVMUBZIU-UWVGGRQHSA-N -1 3 367.431 0.243 10 0 FCAEHM C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)CC1 ZINC000152416318 488717940 /nfs/dbraw/zinc/71/79/40/488717940.db2.gz DMBYBNQVPKWBMD-HZMBPMFUSA-N -1 3 366.368 0.768 10 0 FCAEHM COC(=O)c1ccsc1N1CC[C@H]([N-]S(=O)(=O)CC2CC2)C1=O ZINC000267043980 488756422 /nfs/dbraw/zinc/75/64/22/488756422.db2.gz CCQQFQXHHJCZPV-NSHDSACASA-N -1 3 358.441 0.969 10 0 FCAEHM Cc1cc(C[C@@H](C)NC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)[nH]n1 ZINC000155836192 488759690 /nfs/dbraw/zinc/75/96/90/488759690.db2.gz IDXMIVMQTCJWSC-LLVKDONJSA-N -1 3 355.398 0.859 10 0 FCAEHM Cc1cc(S(=O)(=O)[N-]C[C@H](O)CN2CCOCC2)c(Cl)cc1F ZINC000155972588 488760654 /nfs/dbraw/zinc/76/06/54/488760654.db2.gz MGAPTUZLOLSQKB-NSHDSACASA-N -1 3 366.842 0.759 10 0 FCAEHM C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)CN1CC(=O)[N-]C1=O ZINC000275129613 488764716 /nfs/dbraw/zinc/76/47/16/488764716.db2.gz LKNQFSFMDARHES-WDEREUQCSA-N -1 3 354.407 0.300 10 0 FCAEHM CC(C)(C)OC(=O)N1CC=C(CNC(=O)CN2CC(=O)[N-]C2=O)CC1 ZINC000275133070 488764745 /nfs/dbraw/zinc/76/47/45/488764745.db2.gz ORSLKMOWGITJBE-UHFFFAOYSA-N -1 3 352.391 0.222 10 0 FCAEHM CCOC(=O)c1cccc(S(=O)(=O)NC2CCN(CC(=O)[O-])CC2)c1 ZINC000275231950 488775066 /nfs/dbraw/zinc/77/50/66/488775066.db2.gz JLWGZDZSDXBKBF-UHFFFAOYSA-N -1 3 370.427 0.691 10 0 FCAEHM C[C@H](C[S@](C)=O)N(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000159158180 488783795 /nfs/dbraw/zinc/78/37/95/488783795.db2.gz VZKFHTDPHMJENR-NFULHVNHSA-N -1 3 364.464 0.718 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCN(C)C(=O)C1 ZINC000267455411 488787990 /nfs/dbraw/zinc/78/79/90/488787990.db2.gz PZIXLNSVMXCYCK-UHFFFAOYSA-N -1 3 353.400 0.472 10 0 FCAEHM C[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000277865462 488790789 /nfs/dbraw/zinc/79/07/89/488790789.db2.gz NGUYXRAVOSMMNF-CABZTGNLSA-N -1 3 351.421 0.933 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2nc([C@@H](C)OC)no2)c(C)o1 ZINC000267574011 488799253 /nfs/dbraw/zinc/79/92/53/488799253.db2.gz JVJRGMCMRHIEOR-SECBINFHSA-N -1 3 372.403 0.859 10 0 FCAEHM CC[C@@H](NC(=O)Cc1noc(CN2CC(=O)[N-]C2=O)n1)c1ccccc1 ZINC000278097121 488800121 /nfs/dbraw/zinc/80/01/21/488800121.db2.gz ZGKWYPXEPRGPNX-GFCCVEGCSA-N -1 3 357.370 0.931 10 0 FCAEHM O=C1[N-]C(=O)[C@H](Cc2nc(Cc3ccc(OCC(F)(F)F)nc3)no2)N1 ZINC000278139927 488802359 /nfs/dbraw/zinc/80/23/59/488802359.db2.gz RVBCFBZFYUGVBP-QMMMGPOBSA-N -1 3 371.275 0.747 10 0 FCAEHM COCCN(C(=O)CN1CC(=O)[N-]C1=O)c1ccc(OC)c(OC)c1 ZINC000267611711 488804207 /nfs/dbraw/zinc/80/42/07/488804207.db2.gz SAQJBRDDZZNJJI-UHFFFAOYSA-N -1 3 351.359 0.235 10 0 FCAEHM CCN1CCN(Cc2ccc(NC(=O)c3cnc([O-])n(C)c3=O)cc2)CC1 ZINC000267718366 488814897 /nfs/dbraw/zinc/81/48/97/488814897.db2.gz UPTJLLGXWJSTIY-UHFFFAOYSA-N -1 3 371.441 0.876 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)Nc2ccc(N3CCCC3)nc2)c1 ZINC000267996964 488833208 /nfs/dbraw/zinc/83/32/08/488833208.db2.gz BXYCSUIAAQUKJX-UHFFFAOYSA-N -1 3 364.431 0.332 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-]CCc2nc(C)no2)cc(F)c1F ZINC000268030619 488835338 /nfs/dbraw/zinc/83/53/38/488835338.db2.gz KODMEDRFTVXBLG-UHFFFAOYSA-N -1 3 361.326 0.964 10 0 FCAEHM COC(=O)[C@]1([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)CCOC1 ZINC000268077662 488838025 /nfs/dbraw/zinc/83/80/25/488838025.db2.gz UHORXZYNAFRLSE-HNNXBMFYSA-N -1 3 372.374 0.321 10 0 FCAEHM Cc1ccc2c(c1C)OC[C@@H]2NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000268105727 488840146 /nfs/dbraw/zinc/84/01/46/488840146.db2.gz LJHPTSOAYHTJLN-ZDUSSCGKSA-N -1 3 364.427 0.565 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@H]1CCN(C2CC2)C1 ZINC000173022680 488840178 /nfs/dbraw/zinc/84/01/78/488840178.db2.gz VMGSEYBUXCSNJQ-GFCCVEGCSA-N -1 3 358.485 0.853 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](Cn3cncn3)C2)c(C)o1 ZINC000176116535 488857457 /nfs/dbraw/zinc/85/74/57/488857457.db2.gz BHTUQHZCISOEEP-LBPRGKRZSA-N -1 3 367.431 0.640 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCCNc1cccc(Br)c1 ZINC000180384516 488862085 /nfs/dbraw/zinc/86/20/85/488862085.db2.gz FEHSEGJBBREOFB-JTQLQIEISA-N -1 3 355.192 0.575 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-][C@H](c2nc[nH]n2)c2ccccc2)C[C@H](C)O1 ZINC000364606739 488977707 /nfs/dbraw/zinc/97/77/07/488977707.db2.gz KJVWQQJGRPOSEN-SCRDCRAPSA-N -1 3 351.432 0.838 10 0 FCAEHM C[C@@]1(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)CCN(C(=O)OCc2ccccc2)C1 ZINC000280008574 488980125 /nfs/dbraw/zinc/98/01/25/488980125.db2.gz LSJNOPGKDGGBBC-SCLBCKFNSA-N -1 3 374.397 0.502 10 0 FCAEHM CCN(CC)[C@H](C)CNS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000280095465 488984383 /nfs/dbraw/zinc/98/43/83/488984383.db2.gz WZANQIPGXQKGAL-GFCCVEGCSA-N -1 3 371.459 0.510 10 0 FCAEHM COC(=O)C(C)(C)CS(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000288507864 488987563 /nfs/dbraw/zinc/98/75/63/488987563.db2.gz ZWOFCVGDVGWOED-AWEZNQCLSA-N -1 3 370.471 0.805 10 0 FCAEHM O=C(CN1CCC[C@@H](c2nc(=O)[n-][nH]2)C1)NCc1ccc2c(c1)OCO2 ZINC000288574477 488993476 /nfs/dbraw/zinc/99/34/76/488993476.db2.gz AYTOJSFMIUTMAL-GFCCVEGCSA-N -1 3 359.386 0.323 10 0 FCAEHM COC(=O)CCCO[N-]C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000288815331 489018677 /nfs/dbraw/zinc/01/86/77/489018677.db2.gz MTLQQOKGUSZHMZ-UHFFFAOYSA-N -1 3 359.404 0.943 10 0 FCAEHM COC(=O)[C@H](O)C(C)(C)[N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000365074752 489035562 /nfs/dbraw/zinc/03/55/62/489035562.db2.gz WSYLXWCEZNUSFP-PKWAYOAASA-N -1 3 361.460 0.614 10 0 FCAEHM COc1ccc(CN(C)C(=O)CN2CCC(c3nc(=O)[n-][nH]3)CC2)cc1 ZINC000280891550 489038845 /nfs/dbraw/zinc/03/88/45/489038845.db2.gz DDATWBGVSFQOCP-UHFFFAOYSA-N -1 3 359.430 0.945 10 0 FCAEHM COc1ccc(NC(=O)CN2CCC(c3nc(=O)[n-][nH]3)CC2)cc1OC ZINC000280909466 489040380 /nfs/dbraw/zinc/04/03/80/489040380.db2.gz FPHULKSGPOJWOM-UHFFFAOYSA-N -1 3 361.402 0.933 10 0 FCAEHM Cc1ccc([C@H](NC(=O)CN2CC(=O)[N-]C2=O)[C@H](C)S(C)(=O)=O)cc1 ZINC000280931301 489041600 /nfs/dbraw/zinc/04/16/00/489041600.db2.gz ILTUUFSMESUZMS-XHDPSFHLSA-N -1 3 367.427 0.137 10 0 FCAEHM Cc1cccc(=O)n1C[C@](C)(O)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000280958095 489043353 /nfs/dbraw/zinc/04/33/53/489043353.db2.gz QVCTZZXMSRYZMC-SFHVURJKSA-N -1 3 368.397 0.404 10 0 FCAEHM Cc1cccc(=O)n1C[C@](C)(O)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000280958095 489043357 /nfs/dbraw/zinc/04/33/57/489043357.db2.gz QVCTZZXMSRYZMC-SFHVURJKSA-N -1 3 368.397 0.404 10 0 FCAEHM COc1ccccc1CNC(=O)[C@@H](C)N1CCC(c2nc(=O)[n-][nH]2)CC1 ZINC000280974106 489044774 /nfs/dbraw/zinc/04/47/74/489044774.db2.gz KSQPJMCPAMFTHT-GFCCVEGCSA-N -1 3 359.430 0.991 10 0 FCAEHM COc1cccc(CN(C)C(=O)CN2CCC(c3nc(=O)[n-][nH]3)CC2)c1 ZINC000281020261 489047458 /nfs/dbraw/zinc/04/74/58/489047458.db2.gz OIIQPXSOOXICTJ-UHFFFAOYSA-N -1 3 359.430 0.945 10 0 FCAEHM O=C(C1CCCC1)N1CSC[C@H]1C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000330129369 489071697 /nfs/dbraw/zinc/07/16/97/489071697.db2.gz JYCAXKCTUNIWDG-NEPJUHHUSA-N -1 3 366.443 0.681 10 0 FCAEHM CN(C)[C@H](CNC(=O)CN1CCC[C@H](c2nc(=O)[n-][nH]2)C1)c1ccccc1 ZINC000289503030 489071806 /nfs/dbraw/zinc/07/18/06/489071806.db2.gz UJCYQHGVGPLDMT-JKSUJKDBSA-N -1 3 372.473 0.697 10 0 FCAEHM CCOC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000281485818 489079232 /nfs/dbraw/zinc/07/92/32/489079232.db2.gz NRVJDIIRHWTWNB-SNVBAGLBSA-N -1 3 364.445 0.495 10 0 FCAEHM COC(=O)NCCc1ccc(S(=O)(=O)[N-][C@]2(C)CCOC2=O)s1 ZINC000289708332 489088016 /nfs/dbraw/zinc/08/80/16/489088016.db2.gz WNOHDKSAAONWGJ-CYBMUJFWSA-N -1 3 362.429 0.631 10 0 FCAEHM CCOc1ccc(NC(=O)C[N-]S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000330426735 489100419 /nfs/dbraw/zinc/10/04/19/489100419.db2.gz WKOGYTORWAEECV-STQMWFEESA-N -1 3 371.459 0.967 10 0 FCAEHM CC(C)(C)c1n[n-]c(S(=O)(=O)CC(=O)N2CCOC[C@H]2C2CC2)n1 ZINC000365714389 489103558 /nfs/dbraw/zinc/10/35/58/489103558.db2.gz WTJCSNPZTOWELN-NSHDSACASA-N -1 3 356.448 0.513 10 0 FCAEHM CC(C)(C)c1nnc(S(=O)(=O)CC(=O)N2CCOC[C@H]2C2CC2)[n-]1 ZINC000365714389 489103561 /nfs/dbraw/zinc/10/35/61/489103561.db2.gz WTJCSNPZTOWELN-NSHDSACASA-N -1 3 356.448 0.513 10 0 FCAEHM COc1ccc(-n2cc(C[N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C)nn2)cc1 ZINC000365796435 489114520 /nfs/dbraw/zinc/11/45/20/489114520.db2.gz PZMCTHBIDNDKIF-NSHDSACASA-N -1 3 367.431 0.172 10 0 FCAEHM CCc1ccc(C(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)c([O-])c1 ZINC000365825205 489117431 /nfs/dbraw/zinc/11/74/31/489117431.db2.gz ZTLYSNJKRGVKBK-UHFFFAOYSA-N -1 3 355.460 0.909 10 0 FCAEHM COC(=O)CCS(=O)(=O)[N-]c1ccc(C(=O)NC2CCOCC2)cc1 ZINC000290478654 489143796 /nfs/dbraw/zinc/14/37/96/489143796.db2.gz HPOJTXIONNLVKN-UHFFFAOYSA-N -1 3 370.427 0.900 10 0 FCAEHM O=C(CN1CCC[C@]2(C1)NC(=O)[N-]C2=O)NCCCOC1CCCCC1 ZINC000366118897 489147146 /nfs/dbraw/zinc/14/71/46/489147146.db2.gz AYNLMWODBFLQHK-GOSISDBHSA-N -1 3 366.462 0.516 10 0 FCAEHM COc1ccc(NC(=O)CN2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1OC ZINC000366123184 489147837 /nfs/dbraw/zinc/14/78/37/489147837.db2.gz JNGQLVURQBLBRQ-QGZVFWFLSA-N -1 3 362.386 0.316 10 0 FCAEHM C[C@H](C(=O)NC(=O)NC1CCCCC1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000366121868 489148095 /nfs/dbraw/zinc/14/80/95/489148095.db2.gz HHMKCDULTKFFDW-PIGZYNQJSA-N -1 3 365.434 0.207 10 0 FCAEHM C[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000282307536 489152850 /nfs/dbraw/zinc/15/28/50/489152850.db2.gz ROADZQYDPQANGS-GXTWGEPZSA-N -1 3 360.414 0.527 10 0 FCAEHM O=C(c1cnc(-c2ccccc2)nc1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000366175798 489155409 /nfs/dbraw/zinc/15/54/09/489155409.db2.gz ZWANYOGQTXXDRE-GOSISDBHSA-N -1 3 351.366 0.958 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@H]1CCc2nc(C)nn2C1 ZINC000290700197 489158664 /nfs/dbraw/zinc/15/86/64/489158664.db2.gz IORAQJIPBNMUEF-NSHDSACASA-N -1 3 368.415 0.876 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@H](C)[C@@H](OC)C1 ZINC000282413907 489161464 /nfs/dbraw/zinc/16/14/64/489161464.db2.gz FCZBWGRBGFINLN-NEPJUHHUSA-N -1 3 362.473 0.640 10 0 FCAEHM CCc1ccc([N-]S(=O)(=O)CCC(=O)OC)cc1S(N)(=O)=O ZINC000290740384 489162375 /nfs/dbraw/zinc/16/23/75/489162375.db2.gz XCMZFUHSWNVLSW-UHFFFAOYSA-N -1 3 350.418 0.201 10 0 FCAEHM CC[C@@H]1CN(C(=O)c2cc(S(=O)(=O)[N-]C)oc2C)C[C@@]2(CCOC2)O1 ZINC000366541402 489192625 /nfs/dbraw/zinc/19/26/25/489192625.db2.gz SFZZQNTUWLLNBG-MLGOLLRUSA-N -1 3 372.443 0.906 10 0 FCAEHM CNS(=O)(=O)N1CCN(C(=O)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000282862448 489195476 /nfs/dbraw/zinc/19/54/76/489195476.db2.gz HOSRJYQGASXQSB-UHFFFAOYSA-N -1 3 353.444 0.493 10 0 FCAEHM COc1cccc(-n2cc(C(=O)Nc3[n-]nnc3C(=O)NC3CC3)nn2)c1 ZINC000297685054 489223547 /nfs/dbraw/zinc/22/35/47/489223547.db2.gz ICYQRWPHROYKID-UHFFFAOYSA-N -1 3 368.357 0.539 10 0 FCAEHM COc1cccc(-n2cc(C(=O)Nc3nn[n-]c3C(=O)NC3CC3)nn2)c1 ZINC000297685054 489223550 /nfs/dbraw/zinc/22/35/50/489223550.db2.gz ICYQRWPHROYKID-UHFFFAOYSA-N -1 3 368.357 0.539 10 0 FCAEHM COc1cccc(-n2cc(C(=O)Nc3n[n-]nc3C(=O)NC3CC3)nn2)c1 ZINC000297685054 489223554 /nfs/dbraw/zinc/22/35/54/489223554.db2.gz ICYQRWPHROYKID-UHFFFAOYSA-N -1 3 368.357 0.539 10 0 FCAEHM CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2[n-]nnc2C(=O)NC2CC2)C1 ZINC000297751209 489235119 /nfs/dbraw/zinc/23/51/19/489235119.db2.gz OGQVDVBNDBSXFF-WDEREUQCSA-N -1 3 362.434 0.920 10 0 FCAEHM CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2nn[n-]c2C(=O)NC2CC2)C1 ZINC000297751209 489235121 /nfs/dbraw/zinc/23/51/21/489235121.db2.gz OGQVDVBNDBSXFF-WDEREUQCSA-N -1 3 362.434 0.920 10 0 FCAEHM CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2n[n-]nc2C(=O)NC2CC2)C1 ZINC000297751209 489235123 /nfs/dbraw/zinc/23/51/23/489235123.db2.gz OGQVDVBNDBSXFF-WDEREUQCSA-N -1 3 362.434 0.920 10 0 FCAEHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@]2(OCCO)CCOC2)c1 ZINC000657086288 492713187 /nfs/dbraw/zinc/71/31/87/492713187.db2.gz KHDDCRJQWWPLTI-CQSZACIVSA-N -1 3 365.835 0.795 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)N1CC(CO)C1 ZINC000555212005 491241776 /nfs/dbraw/zinc/24/17/76/491241776.db2.gz CDIDGOVXCSFBGR-UHFFFAOYSA-N -1 3 365.814 0.391 10 0 FCAEHM O=C(NC[C@H]1CCC2(CCOCC2)[C@H]1O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000283595801 489279540 /nfs/dbraw/zinc/27/95/40/489279540.db2.gz KSISBRXBZYIRJU-DOMZBBRYSA-N -1 3 358.394 0.868 10 0 FCAEHM Cn1ccnc1[C@H]([N-]S(=O)(=O)c1c(Cl)cnn1C)C(C)(C)CO ZINC000563434762 491245552 /nfs/dbraw/zinc/24/55/52/491245552.db2.gz QQXDTVSEKHVBDH-JTQLQIEISA-N -1 3 361.855 0.845 10 0 FCAEHM O=C(Cc1csc(NC(=O)c2cccc([O-])c2)n1)N1CCNC(=O)CC1 ZINC000369973894 489299066 /nfs/dbraw/zinc/29/90/66/489299066.db2.gz CHDJKEOYRHQWAN-UHFFFAOYSA-N -1 3 374.422 0.992 10 0 FCAEHM CC(F)(F)C(C)(C)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCOC1 ZINC000349511107 489304250 /nfs/dbraw/zinc/30/42/50/489304250.db2.gz PVKUWBAWNCLRMC-UHFFFAOYSA-N -1 3 364.436 0.349 10 0 FCAEHM CC[C@H](C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1c(C)n[nH]c1C ZINC000349575162 489319713 /nfs/dbraw/zinc/31/97/13/489319713.db2.gz OAOKLAZAXNWJLM-VIFPVBQESA-N -1 3 352.482 0.876 10 0 FCAEHM O=S(=O)(CCCCS(=O)(=O)N[C@@H]1[C@@H]2CCC[C@@H]21)[N-]c1ccnnc1 ZINC000349587668 489321840 /nfs/dbraw/zinc/32/18/40/489321840.db2.gz NUPRTTWROAUBLX-BTTYYORXSA-N -1 3 374.488 0.716 10 0 FCAEHM O=S(=O)(CCCCS(=O)(=O)N1CCCO1)[N-]c1ncccc1F ZINC000349609547 489327537 /nfs/dbraw/zinc/32/75/37/489327537.db2.gz OUHQFVVUNBCEFQ-UHFFFAOYSA-N -1 3 367.424 0.710 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1C[C@H](CCN2CCCC2=O)c2ccccc21 ZINC000370236418 489332638 /nfs/dbraw/zinc/33/26/38/489332638.db2.gz QXYVGDBUNYSJEN-ZDUSSCGKSA-N -1 3 370.409 0.681 10 0 FCAEHM O=C1CN(Cc2nc(-c3cnc(OCC(F)(F)F)cn3)no2)C(=O)[N-]1 ZINC000350990306 489353137 /nfs/dbraw/zinc/35/31/37/489353137.db2.gz GDCQNFWXDBVHKD-UHFFFAOYSA-N -1 3 358.236 0.520 10 0 FCAEHM CCN1C[C@@H](c2noc(-c3cc(S(=O)(=O)[N-]C)oc3C)n2)CC1=O ZINC000351387912 489355830 /nfs/dbraw/zinc/35/58/30/489355830.db2.gz KCSCNASQVWNSLH-VIFPVBQESA-N -1 3 354.388 0.882 10 0 FCAEHM C[C@@]1(C[C@H]2CCCN2C(=O)Cn2c3ccccc3[nH]c2=O)NC(=O)[N-]C1=O ZINC000286169988 489364125 /nfs/dbraw/zinc/36/41/25/489364125.db2.gz KBMOTLMICZMYKT-ZMZPIMSZSA-N -1 3 371.397 0.309 10 0 FCAEHM CC[C@H](NC(=O)CN1CC(=O)[N-]C1=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000370480853 489364997 /nfs/dbraw/zinc/36/49/97/489364997.db2.gz URAVATICKDGQRT-HOTGVXAUSA-N -1 3 374.441 0.334 10 0 FCAEHM COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)CN1CC(=O)[N-]C1=O ZINC000361805262 489366670 /nfs/dbraw/zinc/36/66/70/489366670.db2.gz YPTRLXAYZDPYPR-STQMWFEESA-N -1 3 351.403 0.509 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@@]3(CCCOC3)C2)ccc1F ZINC000286350210 489382777 /nfs/dbraw/zinc/38/27/77/489382777.db2.gz MMCKEHIKBRIRQR-INIZCTEOSA-N -1 3 372.418 0.755 10 0 FCAEHM NC(=O)c1cc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])on1 ZINC000370737321 489395619 /nfs/dbraw/zinc/39/56/19/489395619.db2.gz GZNXOKWZEYKOBA-ZDUSSCGKSA-N -1 3 358.354 0.400 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)c2cn(CC(=O)C(C)(C)C)nn2)nc1=N ZINC000555530834 491252777 /nfs/dbraw/zinc/25/27/77/491252777.db2.gz USMBCVKYBKZHNG-LLVKDONJSA-N -1 3 360.422 0.412 10 0 FCAEHM Cc1ccc(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c([O-])c1C ZINC000299239042 489422523 /nfs/dbraw/zinc/42/25/23/489422523.db2.gz UQUGHXCGPLGHSK-UHFFFAOYSA-N -1 3 361.442 0.626 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCc2n[nH]cc2C1 ZINC000299284978 489428202 /nfs/dbraw/zinc/42/82/02/489428202.db2.gz FFQHCJXORMSBEU-JTQLQIEISA-N -1 3 352.391 0.801 10 0 FCAEHM CC(C)C(=O)N1CCN(C(=O)CCn2[n-]c(=O)c3ccccc3c2=O)CC1 ZINC000299287768 489428570 /nfs/dbraw/zinc/42/85/70/489428570.db2.gz ZVKOTIVWYBIEQS-UHFFFAOYSA-N -1 3 372.425 0.407 10 0 FCAEHM COc1ccccc1N1CCC(NC(=O)c2cn(C)c(=O)[n-]c2=O)CC1 ZINC000299456446 489443601 /nfs/dbraw/zinc/44/36/01/489443601.db2.gz VYKSUCHDLALCFD-UHFFFAOYSA-N -1 3 358.398 0.893 10 0 FCAEHM NC(=O)[C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])O1 ZINC000371143162 489456256 /nfs/dbraw/zinc/45/62/56/489456256.db2.gz YFNFCUXRPLDBAG-ZLDLUXBVSA-N -1 3 361.398 0.146 10 0 FCAEHM O=S(=O)([N-]C[C@H]1CCCCN1CCO)c1c[nH]nc1C(F)(F)F ZINC000632388945 492989200 /nfs/dbraw/zinc/98/92/00/492989200.db2.gz HKKHMMXAYXVTKV-SECBINFHSA-N -1 3 356.370 0.554 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N3CCc4ncccc4C3)cnc21 ZINC000371235005 489469772 /nfs/dbraw/zinc/46/97/72/489469772.db2.gz HZRLNOVZTZSSFS-UHFFFAOYSA-N -1 3 373.394 0.176 10 0 FCAEHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000363532602 489476285 /nfs/dbraw/zinc/47/62/85/489476285.db2.gz KGEXYGVWNVQYCK-NDMJEZRESA-N -1 3 370.402 0.900 10 0 FCAEHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000363532603 489476563 /nfs/dbraw/zinc/47/65/63/489476563.db2.gz KGEXYGVWNVQYCK-UFGOTCBOSA-N -1 3 370.402 0.900 10 0 FCAEHM COC(=O)[C@H](CF)[N-]S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000287327357 489477806 /nfs/dbraw/zinc/47/78/06/489477806.db2.gz FZYNDNKTIGUDSK-QMMMGPOBSA-N -1 3 353.755 0.901 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c(C)o1 ZINC000371363739 489481027 /nfs/dbraw/zinc/48/10/27/489481027.db2.gz HMBVSGBKPNWMAG-JMJZKYOTSA-N -1 3 356.400 0.662 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]CCc2nnc3n2CCCC3)s1 ZINC000414462347 489499945 /nfs/dbraw/zinc/49/99/45/489499945.db2.gz LYLADKDVGCYVAO-UHFFFAOYSA-N -1 3 370.456 0.984 10 0 FCAEHM COC[C@@](C)(O)CC[N-]S(=O)(=O)c1cc(OC)c(OC)cc1F ZINC000451650703 489514167 /nfs/dbraw/zinc/51/41/67/489514167.db2.gz CUZSUSQVUAVEAJ-AWEZNQCLSA-N -1 3 351.396 0.909 10 0 FCAEHM CC1(C)COC[C@@H]1NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000451964793 489534818 /nfs/dbraw/zinc/53/48/18/489534818.db2.gz JMIRPJVHGYSFAP-LBPRGKRZSA-N -1 3 366.436 0.901 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1CCCc2c1cnn2CCO ZINC000372144417 489550872 /nfs/dbraw/zinc/55/08/72/489550872.db2.gz QCDUCUMHHGLMJL-LLVKDONJSA-N -1 3 373.866 0.927 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N[C@H]2C[C@@](C)(O)C2)CCCC1 ZINC000416274855 489576539 /nfs/dbraw/zinc/57/65/39/489576539.db2.gz GBKDJMKFABIOTD-JNSHFYNHSA-N -1 3 371.459 0.912 10 0 FCAEHM C[C@@H]1CN(C(=O)CCn2[n-]c(=O)c3ccccc3c2=O)[C@@H](C)CN1CCO ZINC000416285877 489577078 /nfs/dbraw/zinc/57/70/78/489577078.db2.gz AHYAIGXSKQJQKY-KGLIPLIRSA-N -1 3 374.441 0.406 10 0 FCAEHM C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000416302558 489580656 /nfs/dbraw/zinc/58/06/56/489580656.db2.gz WVBBKLIONNNYGR-QWHCGFSZSA-N -1 3 355.460 0.585 10 0 FCAEHM COC(=O)C[C@@]1([N-]S(=O)(=O)c2cn3c(n2)CCC[C@H]3C)CCOC1 ZINC000416464472 489595996 /nfs/dbraw/zinc/59/59/96/489595996.db2.gz HURDQGQBTZHWJG-ABAIWWIYSA-N -1 3 357.432 0.781 10 0 FCAEHM CC[C@@H]([N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F)[C@@H](O)C(F)F ZINC000416498363 489601820 /nfs/dbraw/zinc/60/18/20/489601820.db2.gz VCOQFQOLHAAJNX-LHLIQPBNSA-N -1 3 354.306 0.943 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]C2(C(N)=O)C3CC4CC(C3)CC2C4)c1 ZINC000416559678 489609537 /nfs/dbraw/zinc/60/95/37/489609537.db2.gz OSZHZHCRLOXDNB-UHFFFAOYSA-N -1 3 352.460 0.862 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CO)c2ccnn2C)c(Cl)c1 ZINC000416557753 489609809 /nfs/dbraw/zinc/60/98/09/489609809.db2.gz ZYVLTNLNQJMINQ-LLVKDONJSA-N -1 3 373.818 0.872 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@@H](CCO)c1ccccc1Br ZINC000563743800 491266849 /nfs/dbraw/zinc/26/68/49/491266849.db2.gz DHSKDVONWPVFJJ-QWRGUYRKSA-N -1 3 370.203 0.587 10 0 FCAEHM COc1cc(N2CCN(C(=O)CNC(=O)c3cccc([O-])c3)CC2)ncn1 ZINC000427806502 489621773 /nfs/dbraw/zinc/62/17/73/489621773.db2.gz KOVYQHCTGNPJTI-UHFFFAOYSA-N -1 3 371.397 0.269 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccc(F)c(F)c1)NC[C@@H]1CCC[C@H]1O ZINC000456831348 489625018 /nfs/dbraw/zinc/62/50/18/489625018.db2.gz SCOZGQZNEYEJGR-IINYFYTJSA-N -1 3 362.398 0.910 10 0 FCAEHM CC(C)n1cc(C(=O)NCc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)nn1 ZINC000555728230 491268177 /nfs/dbraw/zinc/26/81/77/491268177.db2.gz ZINVSSIOFRCDIM-KRWDZBQOSA-N -1 3 356.386 0.844 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)CNC(=O)NCc3ccco3)cc2n(C)c1=O ZINC000428005760 489632597 /nfs/dbraw/zinc/63/25/97/489632597.db2.gz LXUBINGBLGXBMB-UHFFFAOYSA-N -1 3 373.369 0.614 10 0 FCAEHM C[C@@H]1C[C@H](S(=O)(=O)[N-]C[C@@H](N2CCOCC2)C(F)(F)F)CCO1 ZINC000428189629 489641500 /nfs/dbraw/zinc/64/15/00/489641500.db2.gz PCXJZAFHAFTPDZ-IJLUTSLNSA-N -1 3 360.398 0.736 10 0 FCAEHM COc1ccc(F)cc1CNC(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000428286395 489644187 /nfs/dbraw/zinc/64/41/87/489644187.db2.gz RGFVXCPNJJXWQR-UHFFFAOYSA-N -1 3 370.406 0.471 10 0 FCAEHM CC[C@H]1[C@H](CO)CCN1C(=O)NCc1ccc(S(=O)(=O)[N-]C)s1 ZINC000457563039 489649184 /nfs/dbraw/zinc/64/91/84/489649184.db2.gz BEEYFVAAGAXSEX-JQWIXIFHSA-N -1 3 361.489 0.959 10 0 FCAEHM COCCN(C(=O)CC[N-]S(=O)(=O)c1ccccc1F)[C@H]1CCOC1 ZINC000428563690 489653549 /nfs/dbraw/zinc/65/35/49/489653549.db2.gz VYWJWATYVPHLDR-ZDUSSCGKSA-N -1 3 374.434 0.758 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2Cc3ccc(Cl)cc3C2)c1 ZINC000458262144 489675205 /nfs/dbraw/zinc/67/52/05/489675205.db2.gz YJCLLTAMLUJRTR-UHFFFAOYSA-N -1 3 354.819 0.894 10 0 FCAEHM COC(=O)CN(Cc1ccc(F)c(F)c1)C(=O)c1[nH]c(=O)[n-]c(=O)c1N ZINC000469150491 489693393 /nfs/dbraw/zinc/69/33/93/489693393.db2.gz VTZOHOSWNGIMSP-UHFFFAOYSA-N -1 3 368.296 0.564 10 0 FCAEHM COc1ccc([C@H](CC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)NC(C)=O)cc1 ZINC000489477354 489712907 /nfs/dbraw/zinc/71/29/07/489712907.db2.gz GPFSVAROUKVGCR-LSDHHAIUSA-N -1 3 374.397 0.025 10 0 FCAEHM COc1ccc(-n2cc(CNC(=O)C(=O)[N-]c3cnns3)nn2)cc1 ZINC000430065860 489718374 /nfs/dbraw/zinc/71/83/74/489718374.db2.gz NEHDWLHFEJNGGD-UHFFFAOYSA-N -1 3 359.371 0.382 10 0 FCAEHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000430236784 489726635 /nfs/dbraw/zinc/72/66/35/489726635.db2.gz HNCGHMBMKPKXGH-IUCAKERBSA-N -1 3 353.400 0.586 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](CO)c2sccc2C)cn1 ZINC000474191147 489746168 /nfs/dbraw/zinc/74/61/68/489746168.db2.gz PSDIHJSXXARFMN-NSHDSACASA-N -1 3 355.441 0.823 10 0 FCAEHM C[C@H](CCS(C)(=O)=O)[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000474312195 489753860 /nfs/dbraw/zinc/75/38/60/489753860.db2.gz OKMONXXVKBEKQK-SNVBAGLBSA-N -1 3 369.486 0.192 10 0 FCAEHM Cn1ccnc1CN1CCC(C(=O)Nc2nnc(SCCO)[n-]2)CC1 ZINC000490545186 489772970 /nfs/dbraw/zinc/77/29/70/489772970.db2.gz NMPQNOVEIBSEGN-UHFFFAOYSA-N -1 3 365.463 0.473 10 0 FCAEHM Cn1ccnc1CN1CCC(C(=O)Nc2nc(SCCO)n[n-]2)CC1 ZINC000490545186 489772972 /nfs/dbraw/zinc/77/29/72/489772972.db2.gz NMPQNOVEIBSEGN-UHFFFAOYSA-N -1 3 365.463 0.473 10 0 FCAEHM Cn1ccnc1CN1CCC(C(=O)Nc2n[n-]c(SCCO)n2)CC1 ZINC000490545186 489772976 /nfs/dbraw/zinc/77/29/76/489772976.db2.gz NMPQNOVEIBSEGN-UHFFFAOYSA-N -1 3 365.463 0.473 10 0 FCAEHM COc1nc(NC(=O)[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)n[n-]1 ZINC000490690224 489780308 /nfs/dbraw/zinc/78/03/08/489780308.db2.gz HJQSJAWYZMBVOH-SECBINFHSA-N -1 3 353.404 0.806 10 0 FCAEHM COc1nnc(NC(=O)[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)[n-]1 ZINC000490690224 489780311 /nfs/dbraw/zinc/78/03/11/489780311.db2.gz HJQSJAWYZMBVOH-SECBINFHSA-N -1 3 353.404 0.806 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)n1 ZINC000490690224 489780316 /nfs/dbraw/zinc/78/03/16/489780316.db2.gz HJQSJAWYZMBVOH-SECBINFHSA-N -1 3 353.404 0.806 10 0 FCAEHM COc1nn(C)cc1NC(=O)NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000474983197 489797901 /nfs/dbraw/zinc/79/79/01/489797901.db2.gz BPJKCGZAUSXDDP-QGZVFWFLSA-N -1 3 372.385 0.805 10 0 FCAEHM CC(C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1cn(Cc2ccccc2)nn1 ZINC000571015136 491280131 /nfs/dbraw/zinc/28/01/31/491280131.db2.gz OSUXULMYYGLTSI-CQSZACIVSA-N -1 3 351.432 0.839 10 0 FCAEHM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-][C@@](C)(c1noc(C)n1)C1CC1 ZINC000432263760 489835587 /nfs/dbraw/zinc/83/55/87/489835587.db2.gz IMWYUEVIJDEIHL-IUODEOHRSA-N -1 3 372.447 0.865 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)NC[C@]1(CCO)CCOC1 ZINC000475830706 489853346 /nfs/dbraw/zinc/85/33/46/489853346.db2.gz NNXDNNYZJJLISB-IBGZPJMESA-N -1 3 373.409 0.163 10 0 FCAEHM C[C@@H]1CCCN(S(=O)(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)C1 ZINC000564011582 491283241 /nfs/dbraw/zinc/28/32/41/491283241.db2.gz FCCQKAGXLZCSBX-SNVBAGLBSA-N -1 3 354.432 0.971 10 0 FCAEHM C[C@@H]1CCCN(S(=O)(=O)[N-]c2cc3c(cc2O)n(C)c(=O)n3C)C1 ZINC000564011582 491283243 /nfs/dbraw/zinc/28/32/43/491283243.db2.gz FCCQKAGXLZCSBX-SNVBAGLBSA-N -1 3 354.432 0.971 10 0 FCAEHM CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000564013577 491283279 /nfs/dbraw/zinc/28/32/79/491283279.db2.gz YGDLTWIISVAIFB-DGCLKSJQSA-N -1 3 363.443 0.919 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N(C)[C@H](CO)CC(C)C)cn1C ZINC000475970208 489859335 /nfs/dbraw/zinc/85/93/35/489859335.db2.gz VRPRRBNNAIVVAZ-ZDUSSCGKSA-N -1 3 360.480 0.262 10 0 FCAEHM C[C@]1(c2cccc(C(=O)NCC(=O)NCc3ccco3)c2)NC(=O)[N-]C1=O ZINC000494406700 489889838 /nfs/dbraw/zinc/88/98/38/489889838.db2.gz PZLRHQUABQCXBO-GOSISDBHSA-N -1 3 370.365 0.380 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1ccc(NC(=O)c2ccccc2)nc1 ZINC000461193940 489898652 /nfs/dbraw/zinc/89/86/52/489898652.db2.gz HXEPMCWTKGKZMK-UHFFFAOYSA-N -1 3 353.338 0.824 10 0 FCAEHM CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cn(C)nc1C1CC1 ZINC000461345760 489903398 /nfs/dbraw/zinc/90/33/98/489903398.db2.gz TYMTZYFSKTYQFY-UHFFFAOYSA-N -1 3 350.466 0.321 10 0 FCAEHM COC(=O)c1cncc(NC(=O)C[N-]S(=O)(=O)c2cccs2)c1 ZINC000494685678 489904963 /nfs/dbraw/zinc/90/49/63/489904963.db2.gz OMUYMLQOYTZAMG-UHFFFAOYSA-N -1 3 355.397 0.847 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)Nc2n[nH]c3cc(F)ccc32)cn1C ZINC000476789882 489916161 /nfs/dbraw/zinc/91/61/61/489916161.db2.gz VMVGFOXOVBUQBX-UHFFFAOYSA-N -1 3 366.378 0.661 10 0 FCAEHM COC(=O)[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CCO1 ZINC000377533808 489916689 /nfs/dbraw/zinc/91/66/89/489916689.db2.gz MOQQTPSOOVCEOY-DZGCQCFKSA-N -1 3 362.382 0.397 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)CNC(=O)c3cccc(O)c3)cc2n(C)c1=O ZINC000461612054 489921109 /nfs/dbraw/zinc/92/11/09/489921109.db2.gz FROPUCVBNGXMNT-UHFFFAOYSA-N -1 3 370.365 0.657 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)c3ccc(OCC(N)=O)cc3)cc2n(C)c1=O ZINC000461629744 489923892 /nfs/dbraw/zinc/92/38/92/489923892.db2.gz VXMBXBBPWDVTMS-UHFFFAOYSA-N -1 3 370.365 0.699 10 0 FCAEHM CO[C@@]1(CNC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)CCOC1 ZINC000461694372 489929093 /nfs/dbraw/zinc/92/90/93/489929093.db2.gz VEZZGOMFXOBESZ-XHDPSFHLSA-N -1 3 360.407 0.414 10 0 FCAEHM COc1cc(N2CCN(C(=O)c3ccc4c(c3)C(=O)[N-]C4=O)CC2)ncn1 ZINC000461724281 489931154 /nfs/dbraw/zinc/93/11/54/489931154.db2.gz JEFZSLNUQIDFBZ-UHFFFAOYSA-N -1 3 367.365 0.331 10 0 FCAEHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c1 ZINC000462580988 489983750 /nfs/dbraw/zinc/98/37/50/489983750.db2.gz OBRLJXAJIXJIAY-FBIMIBRVSA-N -1 3 358.441 0.822 10 0 FCAEHM O=C(NC[C@@]1(CCO)CCOC1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436635054 490009447 /nfs/dbraw/zinc/00/94/47/490009447.db2.gz MFALGMGTQACAJX-HNAYVOBHSA-N -1 3 362.426 0.902 10 0 FCAEHM O=C(NCCNc1cnccn1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436763336 490012789 /nfs/dbraw/zinc/01/27/89/490012789.db2.gz KAZRPZGWPPZGDH-CQSZACIVSA-N -1 3 355.398 1.015 10 0 FCAEHM COC(=O)Cc1ccc(S(=O)(=O)[N-][C@H](CF)C(=O)OC)cc1F ZINC000420739282 490016617 /nfs/dbraw/zinc/01/66/17/490016617.db2.gz YILWAJPDTNQHDM-LLVKDONJSA-N -1 3 351.327 0.331 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N(CCO)Cc2ccc(C)o2)cn1 ZINC000478416738 490018771 /nfs/dbraw/zinc/01/87/71/490018771.db2.gz KXVWHDQJGDNLTF-UHFFFAOYSA-N -1 3 353.400 0.526 10 0 FCAEHM C[C@@]1(c2ccc(C(=O)NCc3nnc4ccccn43)cc2)NC(=O)[N-]C1=O ZINC000478495840 490022172 /nfs/dbraw/zinc/02/21/72/490022172.db2.gz VMUHDOJKYFVQBY-SFHVURJKSA-N -1 3 364.365 0.714 10 0 FCAEHM C[C@]1(c2ccc(C(=O)NCC(=O)NCc3ccco3)cc2)NC(=O)[N-]C1=O ZINC000478745245 490035504 /nfs/dbraw/zinc/03/55/04/490035504.db2.gz XCJJAYKNAIDFIO-GOSISDBHSA-N -1 3 370.365 0.380 10 0 FCAEHM C[C@@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)[C@@H]1COc2ccccc21 ZINC000378283631 490039782 /nfs/dbraw/zinc/03/97/82/490039782.db2.gz ZWBKZFVLNDXVFG-YPMHNXCESA-N -1 3 364.427 0.379 10 0 FCAEHM Cn1ccnc1CN1CCC[C@@H](NC(=O)c2cc(F)cc3nn[n-]c32)C1=O ZINC000519828257 490093048 /nfs/dbraw/zinc/09/30/48/490093048.db2.gz MEOIDRPBONXRGE-GFCCVEGCSA-N -1 3 371.376 0.752 10 0 FCAEHM Cn1ccnc1CN1CCC[C@@H](NC(=O)c2cc(F)cc3[n-]nnc32)C1=O ZINC000519828257 490093050 /nfs/dbraw/zinc/09/30/50/490093050.db2.gz MEOIDRPBONXRGE-GFCCVEGCSA-N -1 3 371.376 0.752 10 0 FCAEHM Cn1ccnc1CN1CCC[C@@H](NC(=O)c2cc(F)cc3n[n-]nc32)C1=O ZINC000519828257 490093053 /nfs/dbraw/zinc/09/30/53/490093053.db2.gz MEOIDRPBONXRGE-GFCCVEGCSA-N -1 3 371.376 0.752 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1C[C@H](CO)OC(C)(C)C1 ZINC000421911531 490110158 /nfs/dbraw/zinc/11/01/58/490110158.db2.gz BNRLCHNETCKXEN-NWDGAFQWSA-N -1 3 374.434 0.491 10 0 FCAEHM CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000506688744 490126811 /nfs/dbraw/zinc/12/68/11/490126811.db2.gz OPPJCPWERXXOMB-ZWNOBZJWSA-N -1 3 365.411 0.018 10 0 FCAEHM O=C(NCc1ccccc1-n1cccn1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000545435401 490134937 /nfs/dbraw/zinc/13/49/37/490134937.db2.gz QEDYJVNJEGFESF-CQSZACIVSA-N -1 3 354.370 0.318 10 0 FCAEHM COC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl)C(=O)OC ZINC000479950236 490141744 /nfs/dbraw/zinc/14/17/44/490141744.db2.gz QHAMWMJNKMPTFY-SNVBAGLBSA-N -1 3 365.791 0.593 10 0 FCAEHM O=C1[N-]C(=O)N2CCN(S(=O)(=O)Cc3ccc4ccccc4c3)C[C@H]12 ZINC000564342481 491302333 /nfs/dbraw/zinc/30/23/33/491302333.db2.gz ODJSYKSBWIWRKT-OAHLLOKOSA-N -1 3 359.407 0.906 10 0 FCAEHM C[C@]1(c2cccc(C(=O)N3CCCC[C@H]3CC(N)=O)c2)NC(=O)[N-]C1=O ZINC000497327793 490147515 /nfs/dbraw/zinc/14/75/15/490147515.db2.gz UIYSSLBQVLWGFQ-SCLBCKFNSA-N -1 3 358.398 0.611 10 0 FCAEHM COCc1cc(NC(=O)C(=O)NCc2ncccc2[O-])cc(C(=O)OC)c1 ZINC000556208334 491303482 /nfs/dbraw/zinc/30/34/82/491303482.db2.gz JOHJGRLZNYMBMM-UHFFFAOYSA-N -1 3 373.365 0.975 10 0 FCAEHM COCC[C@](C)(O)CNC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000480234889 490173515 /nfs/dbraw/zinc/17/35/15/490173515.db2.gz WTICSRQRLHHSLC-IBGZPJMESA-N -1 3 374.441 0.977 10 0 FCAEHM CN1CCO[C@H]2CCN(C(=O)c3ccc([N-]S(C)(=O)=O)cc3)C[C@@H]21 ZINC000408021471 490210820 /nfs/dbraw/zinc/21/08/20/490210820.db2.gz IDWAGXAROCVGTG-GJZGRUSLSA-N -1 3 353.444 0.603 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]Cc2nc([C@H]3CCO[C@H](C)C3)no2)cn1C ZINC000546509765 490216343 /nfs/dbraw/zinc/21/63/43/490216343.db2.gz RANNWVXMAGDVQK-KOLCDFICSA-N -1 3 355.420 0.873 10 0 FCAEHM C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)CN1CC(=O)[N-]C1=O ZINC000521056404 490219110 /nfs/dbraw/zinc/21/91/10/490219110.db2.gz FFHUWXSTDMGBEG-JTQLQIEISA-N -1 3 353.400 0.161 10 0 FCAEHM COc1ccc(CNC(=O)CN2CC(=O)[N-]C2=O)cc1Br ZINC000521180104 490234388 /nfs/dbraw/zinc/23/43/88/490234388.db2.gz LOCYYGQTMWULJM-UHFFFAOYSA-N -1 3 356.176 0.626 10 0 FCAEHM CO[C@@H]1CN(C(=O)CC[N-]S(=O)(=O)c2cn(C)c(C)n2)CC[C@H]1C ZINC000467049761 490242737 /nfs/dbraw/zinc/24/27/37/490242737.db2.gz WWZRBWQQDPEFCG-DGCLKSJQSA-N -1 3 358.464 0.280 10 0 FCAEHM CN(C)S(=O)(=O)c1cccc(-c2noc(CN3CC(=O)[N-]C3=O)n2)c1 ZINC000547191832 490269654 /nfs/dbraw/zinc/26/96/54/490269654.db2.gz NUZVKALNJQQJLE-UHFFFAOYSA-N -1 3 365.371 0.039 10 0 FCAEHM CCc1nncn1CC[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000547215497 490271037 /nfs/dbraw/zinc/27/10/37/490271037.db2.gz LQWGRLDEMXRTHX-UHFFFAOYSA-N -1 3 358.445 0.223 10 0 FCAEHM C[C@@]1(c2ccc(CNS(=O)(=O)c3ccccc3N)cc2)NC(=O)[N-]C1=O ZINC000467414177 490290078 /nfs/dbraw/zinc/29/00/78/490290078.db2.gz RNKWCDJGWHBFEM-KRWDZBQOSA-N -1 3 374.422 0.802 10 0 FCAEHM C[C@]1(c2ccc(C(=O)N[C@H]3CCCCC[C@@H]3C(N)=O)cc2)NC(=O)[N-]C1=O ZINC000467684305 490329141 /nfs/dbraw/zinc/32/91/41/490329141.db2.gz BTMZRRNGDJLIIH-CKFHNAJUSA-N -1 3 372.425 0.905 10 0 FCAEHM CCOC(=O)[C@@H](Cc1cccc(Cl)c1)NC(=O)CN1CC(=O)[N-]C1=O ZINC000467680129 490329299 /nfs/dbraw/zinc/32/92/99/490329299.db2.gz HDSWXPNPCNJQIB-GFCCVEGCSA-N -1 3 367.789 0.482 10 0 FCAEHM C[C@H](C(=O)Nc1cccc(NC(=O)CN2CC(=O)[N-]C2=O)c1)n1cccn1 ZINC000522048162 490334107 /nfs/dbraw/zinc/33/41/07/490334107.db2.gz FGJQKOQHRWHPET-LLVKDONJSA-N -1 3 370.369 0.573 10 0 FCAEHM Cc1ccc([C@H](Cn2ccnc2)NC(=O)C[C@@H]2NC(=O)[N-]C2=O)c(C)c1 ZINC000534279858 490342064 /nfs/dbraw/zinc/34/20/64/490342064.db2.gz CDARINLAGUAZPP-GJZGRUSLSA-N -1 3 355.398 0.956 10 0 FCAEHM COC(=O)COc1ccc(NC(=O)CN2CC(=O)[N-]C2=O)c2ccccc12 ZINC000468223430 490374653 /nfs/dbraw/zinc/37/46/53/490374653.db2.gz DTAWXRFWJILQLD-UHFFFAOYSA-N -1 3 371.349 0.882 10 0 FCAEHM C[C@@](O)(Cn1ccccc1=O)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000468326305 490387187 /nfs/dbraw/zinc/38/71/87/490387187.db2.gz MFZDBGNQKVCAIY-QGZVFWFLSA-N -1 3 354.370 0.342 10 0 FCAEHM C[C@@](O)(Cn1ccccc1=O)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000468326305 490387194 /nfs/dbraw/zinc/38/71/94/490387194.db2.gz MFZDBGNQKVCAIY-QGZVFWFLSA-N -1 3 354.370 0.342 10 0 FCAEHM Cc1cc(-n2cncn2)ccc1C(=O)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000411104235 490388178 /nfs/dbraw/zinc/38/81/78/490388178.db2.gz KRXWVTPQCBWPLG-UHFFFAOYSA-N -1 3 352.358 0.838 10 0 FCAEHM Cc1cc(-n2cncn2)ccc1C(=O)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000411104235 490388182 /nfs/dbraw/zinc/38/81/82/490388182.db2.gz KRXWVTPQCBWPLG-UHFFFAOYSA-N -1 3 352.358 0.838 10 0 FCAEHM Cc1cc(-n2cncn2)ccc1C(=O)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000411104235 490388187 /nfs/dbraw/zinc/38/81/87/490388187.db2.gz KRXWVTPQCBWPLG-UHFFFAOYSA-N -1 3 352.358 0.838 10 0 FCAEHM CC(=O)N[C@H](CC(=O)Nc1[n-]nnc1C(=O)NC1CC1)c1cccs1 ZINC000411103089 490388217 /nfs/dbraw/zinc/38/82/17/490388217.db2.gz FKWVLQQBUHAIJS-SNVBAGLBSA-N -1 3 362.415 0.964 10 0 FCAEHM CC(=O)N[C@H](CC(=O)Nc1nn[n-]c1C(=O)NC1CC1)c1cccs1 ZINC000411103089 490388225 /nfs/dbraw/zinc/38/82/25/490388225.db2.gz FKWVLQQBUHAIJS-SNVBAGLBSA-N -1 3 362.415 0.964 10 0 FCAEHM CC(=O)N[C@H](CC(=O)Nc1n[n-]nc1C(=O)NC1CC1)c1cccs1 ZINC000411103089 490388230 /nfs/dbraw/zinc/38/82/30/490388230.db2.gz FKWVLQQBUHAIJS-SNVBAGLBSA-N -1 3 362.415 0.964 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](CO)c2cccnc2)c(C)o1 ZINC000571675356 491322644 /nfs/dbraw/zinc/32/26/44/491322644.db2.gz FARVXHCLURABTO-GFCCVEGCSA-N -1 3 353.400 0.397 10 0 FCAEHM CCn1c(=O)[n-]c(=O)c2c(C(=O)N3C[C@@H](O)C4(CC4)C3)cc(C3CC3)nc21 ZINC000547981418 490401415 /nfs/dbraw/zinc/40/14/15/490401415.db2.gz BCOCVVNTQAZXIQ-CYBMUJFWSA-N -1 3 370.409 0.991 10 0 FCAEHM CS[C@@H](CO)[C@@H](C)[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000534741608 490405539 /nfs/dbraw/zinc/40/55/39/490405539.db2.gz DWSJCLANQNBLEZ-ZJUUUORDSA-N -1 3 353.487 0.481 10 0 FCAEHM COc1c(C)cc(C)cc1S(=O)(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000509255573 490407892 /nfs/dbraw/zinc/40/78/92/490407892.db2.gz OCILBYXMTUVDDJ-MRXNPFEDSA-N -1 3 367.427 0.675 10 0 FCAEHM Cn1cc(C[C@@H](O)C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)cn1 ZINC000468531458 490412053 /nfs/dbraw/zinc/41/20/53/490412053.db2.gz ULTPVTVGRXUTEH-QGZVFWFLSA-N -1 3 372.425 0.906 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2C(=O)OC(C)C)cn1 ZINC000548104235 490421087 /nfs/dbraw/zinc/42/10/87/490421087.db2.gz XNGNDRHYQMRZRJ-LBPRGKRZSA-N -1 3 355.416 0.546 10 0 FCAEHM CC[C@H](CO)N1CCN(C(=O)C(=O)[N-]c2nccn2-c2ccccc2)CC1 ZINC000411300275 490425765 /nfs/dbraw/zinc/42/57/65/490425765.db2.gz WBNBETRCXHBFIN-OAHLLOKOSA-N -1 3 371.441 0.726 10 0 FCAEHM O=C(CNC(=O)c1cccc([O-])c1)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000548319393 490460853 /nfs/dbraw/zinc/46/08/53/490460853.db2.gz MUWUEZPSWCRSCV-MRXNPFEDSA-N -1 3 368.393 0.829 10 0 FCAEHM CN1C[C@@H](NC(=O)CC[N-]S(=O)(=O)c2ccccc2F)CCC1=O ZINC000523399445 490461732 /nfs/dbraw/zinc/46/17/32/490461732.db2.gz WQMWUWAQCOKOII-NSHDSACASA-N -1 3 357.407 0.231 10 0 FCAEHM NC(=O)c1ccc(NC(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)cn1 ZINC000499873318 490464949 /nfs/dbraw/zinc/46/49/49/490464949.db2.gz TXFYHHSRZCBBLY-UHFFFAOYSA-N -1 3 369.381 0.876 10 0 FCAEHM O=C(NCCCNC(=O)C1C[C@@H]2COC[C@H](C1)C2=O)c1cccc([O-])c1 ZINC000523561874 490475083 /nfs/dbraw/zinc/47/50/83/490475083.db2.gz FBAAEYITLYNTRH-GOOCMWNKSA-N -1 3 360.410 0.870 10 0 FCAEHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]CC(=O)NCc1ccco1 ZINC000535361019 490483270 /nfs/dbraw/zinc/48/32/70/490483270.db2.gz AAMINKNTDLFBSP-UHFFFAOYSA-N -1 3 370.358 0.800 10 0 FCAEHM COC(=O)C[C@@H]1C(=O)NCCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000510260488 490504265 /nfs/dbraw/zinc/50/42/65/490504265.db2.gz UZAXQTYKOGROSG-LLVKDONJSA-N -1 3 370.365 0.945 10 0 FCAEHM CN(Cc1cnccn1)C(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2C ZINC000524001390 490509318 /nfs/dbraw/zinc/50/93/18/490509318.db2.gz UNBUXCFEDLJRJN-UHFFFAOYSA-N -1 3 366.381 0.974 10 0 FCAEHM CCOC(=O)C(C)(C)NC(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2C ZINC000524067132 490514949 /nfs/dbraw/zinc/51/49/49/490514949.db2.gz YYOCMZUALSUPDD-UHFFFAOYSA-N -1 3 374.397 0.983 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)C2(S(C)(=O)=O)CC2)oc1C ZINC000510505838 490523000 /nfs/dbraw/zinc/52/30/00/490523000.db2.gz JTHBKSOOUZZMOV-VIFPVBQESA-N -1 3 365.429 0.619 10 0 FCAEHM CN1C[C@H](NC(=O)Nc2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)CCC1=O ZINC000535814315 490533391 /nfs/dbraw/zinc/53/33/91/490533391.db2.gz IAWMLWUBFHEIGN-OLZOCXBDSA-N -1 3 359.386 0.179 10 0 FCAEHM COC[C@@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1)c1ccccc1 ZINC000535832502 490534735 /nfs/dbraw/zinc/53/47/35/490534735.db2.gz AUKXFJHZSYWASG-CQSZACIVSA-N -1 3 366.443 0.511 10 0 FCAEHM NC(=O)CCCNC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000510875856 490545819 /nfs/dbraw/zinc/54/58/19/490545819.db2.gz GJSJFFYWDDINPO-UHFFFAOYSA-N -1 3 371.440 0.815 10 0 FCAEHM NC(=O)C1CCC(NC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)CC1 ZINC000524702145 490552114 /nfs/dbraw/zinc/55/21/14/490552114.db2.gz NQVGHLVRKDEDKU-UHFFFAOYSA-N -1 3 358.398 0.653 10 0 FCAEHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]CC(=O)NCc1ccco1 ZINC000485846960 490563294 /nfs/dbraw/zinc/56/32/94/490563294.db2.gz HVPFOOLAMLODKC-UHFFFAOYSA-N -1 3 370.383 0.816 10 0 FCAEHM COC(=O)C1([N-]S(=O)(=O)CCCS(C)(=O)=O)CCCCCC1 ZINC000524891180 490567225 /nfs/dbraw/zinc/56/72/25/490567225.db2.gz TWMNGMWTYRDNDO-UHFFFAOYSA-N -1 3 355.478 0.607 10 0 FCAEHM Cc1ccsc1[C@H](CO)NC(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000536505991 490584341 /nfs/dbraw/zinc/58/43/41/490584341.db2.gz IYIQPSKSFJVXFD-NSHDSACASA-N -1 3 372.472 0.227 10 0 FCAEHM CC(C)n1cnc(S(=O)(=O)[N-]C[C@@H]2CCCCN2S(C)(=O)=O)c1 ZINC000511364618 490586202 /nfs/dbraw/zinc/58/62/02/490586202.db2.gz URWFNLQSGYEQJM-LBPRGKRZSA-N -1 3 364.493 0.556 10 0 FCAEHM O=C(c1ccn(-c2c(F)cccc2F)n1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000536543574 490588983 /nfs/dbraw/zinc/58/89/83/490588983.db2.gz ZJCXEJFKYILXED-GFCCVEGCSA-N -1 3 361.308 0.527 10 0 FCAEHM COCc1cc(NC(=O)NCC[N-]S(=O)(=O)c2cccs2)ncn1 ZINC000536791003 490615576 /nfs/dbraw/zinc/61/55/76/490615576.db2.gz ORWIEYSFBHYWFM-UHFFFAOYSA-N -1 3 371.444 0.785 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]CCS(=O)(=O)N2CCSCC2)o1 ZINC000536898358 490620652 /nfs/dbraw/zinc/62/06/52/490620652.db2.gz ZDLAHKXBYRDZKU-UHFFFAOYSA-N -1 3 354.475 0.245 10 0 FCAEHM CCN(Cc1cn(C)nn1)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000486463911 490634432 /nfs/dbraw/zinc/63/44/32/490634432.db2.gz SAMYQTBVNSJARP-UHFFFAOYSA-N -1 3 370.410 0.916 10 0 FCAEHM COCc1nc([C@H]2COCCN2C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)no1 ZINC000501914704 490652712 /nfs/dbraw/zinc/65/27/12/490652712.db2.gz MNVHGLGGLQGYHM-GFCCVEGCSA-N -1 3 372.337 0.313 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NCc1nc2cc(Br)ccc2o1 ZINC000556905788 491343362 /nfs/dbraw/zinc/34/33/62/491343362.db2.gz QJUXEDZHWLVIAP-UHFFFAOYSA-N -1 3 367.159 0.758 10 0 FCAEHM Cc1nc(CN(C)C(=O)CC[N-]S(=O)(=O)c2ccc(F)c(F)c2)no1 ZINC000512503074 490685784 /nfs/dbraw/zinc/68/57/84/490685784.db2.gz GEBJEYMZBMSDJI-UHFFFAOYSA-N -1 3 374.369 0.983 10 0 FCAEHM Cc1nc(CN(C)C(=O)CC[N-]S(=O)(=O)c2ccccc2F)no1 ZINC000512563416 490688394 /nfs/dbraw/zinc/68/83/94/490688394.db2.gz DMJPWGIZAAXOPU-UHFFFAOYSA-N -1 3 356.379 0.844 10 0 FCAEHM O=C(NCCCN1CCCC1=O)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1 ZINC000537699655 490689054 /nfs/dbraw/zinc/68/90/54/490689054.db2.gz WVCKRHQSFYFNSE-CQSZACIVSA-N -1 3 373.413 0.571 10 0 FCAEHM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000487148427 490697702 /nfs/dbraw/zinc/69/77/02/490697702.db2.gz GUEFMTLQCDYEGM-MNOVXSKESA-N -1 3 366.418 0.304 10 0 FCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000487343303 490706149 /nfs/dbraw/zinc/70/61/49/490706149.db2.gz HQJBHZNLBUWCJM-GHMZBOCLSA-N -1 3 360.436 0.199 10 0 FCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000487372978 490709383 /nfs/dbraw/zinc/70/93/83/490709383.db2.gz HNIUEBJQWGLKLP-VXGBXAGGSA-N -1 3 374.463 0.274 10 0 FCAEHM Cn1cc(C(N)=O)cc1C(=O)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1 ZINC000538813261 490750639 /nfs/dbraw/zinc/75/06/39/490750639.db2.gz JHUBUXNUDVBOKJ-GFCCVEGCSA-N -1 3 355.354 0.127 10 0 FCAEHM O=C(CNC(=O)c1cccnc1)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1 ZINC000538828628 490751802 /nfs/dbraw/zinc/75/18/02/490751802.db2.gz RVKSDTISPXHOCC-CQSZACIVSA-N -1 3 367.365 0.201 10 0 FCAEHM O=S(=O)([N-][C@H]1CCCN(c2ncccn2)C1)c1cn2c(n1)CCCC2 ZINC000503435478 490756170 /nfs/dbraw/zinc/75/61/70/490756170.db2.gz NBZYVLWYTPMPIE-ZDUSSCGKSA-N -1 3 362.459 0.957 10 0 FCAEHM CN(C)c1ncc(NC(=O)CC[N-]S(=O)(=O)c2ccccc2F)cn1 ZINC000503637512 490768097 /nfs/dbraw/zinc/76/80/97/490768097.db2.gz SLUYTAZCHVJSHY-UHFFFAOYSA-N -1 3 367.406 0.989 10 0 FCAEHM CN(C)c1ncc(NC(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)cn1 ZINC000503647942 490768801 /nfs/dbraw/zinc/76/88/01/490768801.db2.gz LTNLQVSCHJALAI-KRWDZBQOSA-N -1 3 354.370 0.850 10 0 FCAEHM CCn1ncc(CNC(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)n1 ZINC000528088812 490776963 /nfs/dbraw/zinc/77/69/63/490776963.db2.gz LPWCCWKYSMIIJA-UHFFFAOYSA-N -1 3 358.402 0.671 10 0 FCAEHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-][C@@H]1CNC(=O)C1 ZINC000528368988 490791434 /nfs/dbraw/zinc/79/14/34/490791434.db2.gz XMEFEDNFMKSXAO-ZETCQYMHSA-N -1 3 354.306 0.761 10 0 FCAEHM COc1ccccc1-c1ncc(CN2CCN3C(=O)[N-]C(=O)[C@@H]3C2)cn1 ZINC000572222551 491356243 /nfs/dbraw/zinc/35/62/43/491356243.db2.gz IVYKSJABHXFTHL-AWEZNQCLSA-N -1 3 353.382 0.888 10 0 FCAEHM O=S(=O)([N-]C[C@@H](O)[C@@H]1CCCO1)c1cccnc1OCC(F)F ZINC000528485844 490802807 /nfs/dbraw/zinc/80/28/07/490802807.db2.gz KLTILKLDGILHTF-ZJUUUORDSA-N -1 3 352.359 0.544 10 0 FCAEHM O=S(=O)([N-]C[C@H](O)[C@@H]1CCCO1)c1cccnc1OCC(F)F ZINC000528485840 490802862 /nfs/dbraw/zinc/80/28/62/490802862.db2.gz KLTILKLDGILHTF-UWVGGRQHSA-N -1 3 352.359 0.544 10 0 FCAEHM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@]12C[C@H]1COC2(C)C ZINC000528485535 490803183 /nfs/dbraw/zinc/80/31/83/490803183.db2.gz CMLJUMNEXWOFGC-XHDPSFHLSA-N -1 3 374.484 0.783 10 0 FCAEHM O=C(Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1)N1CCN(C2CC2)C(=O)C1 ZINC000504618630 490806725 /nfs/dbraw/zinc/80/67/25/490806725.db2.gz AYTBRETWJJECFZ-CQSZACIVSA-N -1 3 371.397 0.276 10 0 FCAEHM O=C([C@H]1CCCn2cc(C(F)(F)F)nc21)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000528780392 490828080 /nfs/dbraw/zinc/82/80/80/490828080.db2.gz CRNCNGGMNUIJEA-IUCAKERBSA-N -1 3 371.319 0.542 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCCC[C@H]2C(F)F)cn1C ZINC000505424697 490829056 /nfs/dbraw/zinc/82/90/56/490829056.db2.gz DQPLUDFSEYXMOU-JTQLQIEISA-N -1 3 350.391 0.653 10 0 FCAEHM O=C(CN1CCN2C(=O)[N-]C(=O)[C@H]2C1)NCCc1cccc2cccnc21 ZINC000540911976 490839561 /nfs/dbraw/zinc/83/95/61/490839561.db2.gz NUTFZYUECCUOSU-OAHLLOKOSA-N -1 3 367.409 0.130 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C(C)(C)CS(C)(=O)=O ZINC000589229249 491757956 /nfs/dbraw/zinc/75/79/56/491757956.db2.gz WULPMGQNIXVHFY-UHFFFAOYSA-N -1 3 367.445 0.785 10 0 FCAEHM Cc1ccc(-c2nn(C)cc2C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)o1 ZINC000529211028 490845744 /nfs/dbraw/zinc/84/57/44/490845744.db2.gz LAOGCZYMVUXCSI-KRWDZBQOSA-N -1 3 357.370 0.803 10 0 FCAEHM Cc1cc(C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c(C)n1-c1cnccn1 ZINC000529214142 490845816 /nfs/dbraw/zinc/84/58/16/490845816.db2.gz WJEYDIYITFBYEG-GOSISDBHSA-N -1 3 368.397 0.698 10 0 FCAEHM CCCn1c(=O)[n-]nc1S(=O)(=O)Cc1cc(=O)n2ccc(C)cc2n1 ZINC000516329221 490861077 /nfs/dbraw/zinc/86/10/77/490861077.db2.gz SCTNLSGGCMYMLN-UHFFFAOYSA-N -1 3 363.399 0.684 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccc(=O)[nH]n2)c(C)o1 ZINC000530076688 490887527 /nfs/dbraw/zinc/88/75/27/490887527.db2.gz SAFCSHVYCKQHNR-GFCCVEGCSA-N -1 3 366.399 0.969 10 0 FCAEHM CNS(=O)(=O)c1csc(C(=O)N2CCC[C@H]2c2nc(=N)n(C)[n-]2)c1 ZINC000517240981 490900586 /nfs/dbraw/zinc/90/05/86/490900586.db2.gz NYCWAKFJGYKZAM-VIFPVBQESA-N -1 3 370.460 0.175 10 0 FCAEHM CNS(=O)(=O)c1csc(C(=O)N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)c1 ZINC000517240980 490900699 /nfs/dbraw/zinc/90/06/99/490900699.db2.gz NYCWAKFJGYKZAM-SECBINFHSA-N -1 3 370.460 0.175 10 0 FCAEHM CN(C)c1nc(C(=O)NCc2ccc(NS(C)(=O)=O)cc2)cc(=O)[n-]1 ZINC000530381668 490902830 /nfs/dbraw/zinc/90/28/30/490902830.db2.gz VZZYLVSZBVBFQO-UHFFFAOYSA-N -1 3 365.415 0.550 10 0 FCAEHM COc1ccc(S(=O)(=O)N2[C@H](C)C[C@@H]2C)cc1[C@@]1(C)NC(=O)[N-]C1=O ZINC000530479083 490907985 /nfs/dbraw/zinc/90/79/85/490907985.db2.gz ASJWGIGRFJAURY-KCWFYHRYSA-N -1 3 367.427 0.921 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C2CCC(C(N)=O)CC2)c(F)c1 ZINC000530538129 490911356 /nfs/dbraw/zinc/91/13/56/490911356.db2.gz HTODOYMHJZWONE-UHFFFAOYSA-N -1 3 358.391 0.935 10 0 FCAEHM CN(CCCO)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000518404250 490939729 /nfs/dbraw/zinc/93/97/29/490939729.db2.gz TWNIMGFWANQGTB-UHFFFAOYSA-N -1 3 367.830 0.781 10 0 FCAEHM CN1CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)CC1=O ZINC000543682765 490941030 /nfs/dbraw/zinc/94/10/30/490941030.db2.gz LMFQSPQWGZTZOH-UHFFFAOYSA-N -1 3 366.374 0.826 10 0 FCAEHM C[C@@]1(c2ccc(CNC(=O)NCC[C@@H]3CCOC3)cc2)NC(=O)[N-]C1=O ZINC000544249354 490962831 /nfs/dbraw/zinc/96/28/31/490962831.db2.gz IFFNSQHFEJKARL-ACJLOTCBSA-N -1 3 360.414 0.967 10 0 FCAEHM COC(=O)[C@H](C[N-]S(=O)(=O)c1cn(C)cn1)Cc1cccc(F)c1 ZINC000519282933 490967572 /nfs/dbraw/zinc/96/75/72/490967572.db2.gz YUTIKOMBFGVVLQ-LBPRGKRZSA-N -1 3 355.391 0.869 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H](C(N)=O)C2)s1 ZINC000531686647 490970517 /nfs/dbraw/zinc/97/05/17/490970517.db2.gz UWCPQYHUJDATKQ-QWRGUYRKSA-N -1 3 359.473 0.707 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCC[C@@H]2COCC[C@H]21 ZINC000532052700 490984452 /nfs/dbraw/zinc/98/44/52/490984452.db2.gz QWNNPIJFJBJSCJ-MWLCHTKSSA-N -1 3 372.219 0.739 10 0 FCAEHM O=C(c1cnn(-c2ccccc2F)c1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000562604953 491176587 /nfs/dbraw/zinc/17/65/87/491176587.db2.gz DZYJZPNPSBRPEJ-QGZVFWFLSA-N -1 3 357.345 0.826 10 0 FCAEHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@H](CO)c1ccnn1C ZINC000565549327 491383816 /nfs/dbraw/zinc/38/38/16/491383816.db2.gz LNPCMESWDKTLHY-LLVKDONJSA-N -1 3 357.363 0.358 10 0 FCAEHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@@H](CO)c1ccnn1C ZINC000565549330 491384036 /nfs/dbraw/zinc/38/40/36/491384036.db2.gz LNPCMESWDKTLHY-NSHDSACASA-N -1 3 357.363 0.358 10 0 FCAEHM C[C@H](CNC(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1)N1CCC(C)CC1 ZINC000572643101 491384190 /nfs/dbraw/zinc/38/41/90/491384190.db2.gz JLYQUELNKKJDLQ-ZNMIVQPWSA-N -1 3 353.463 0.792 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCNC[C@H]2c2cccnc2)co1 ZINC000565832348 491401711 /nfs/dbraw/zinc/40/17/11/491401711.db2.gz JJLOCULZBJIZOX-ZDUSSCGKSA-N -1 3 350.400 0.369 10 0 FCAEHM CCO[C@@H]1C[C@H](NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)[C@@H]1n1cccn1 ZINC000565855156 491403642 /nfs/dbraw/zinc/40/36/42/491403642.db2.gz PYTKUYMBCPBPDG-ZNMIVQPWSA-N -1 3 354.366 0.915 10 0 FCAEHM COC(=O)[C@@H](C[N-]S(=O)(=O)c1ccn(C)n1)Cc1cccc(F)c1 ZINC000566161218 491421105 /nfs/dbraw/zinc/42/11/05/491421105.db2.gz JKPKOAGVDYJDNR-GFCCVEGCSA-N -1 3 355.391 0.869 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CNCCC2(F)F)c(OC)c1 ZINC000566224618 491427709 /nfs/dbraw/zinc/42/77/09/491427709.db2.gz VGDFNYQNIJRTJH-LBPRGKRZSA-N -1 3 364.370 0.757 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)NC[C@H](CO)c1cccnc1 ZINC000558574946 491436705 /nfs/dbraw/zinc/43/67/05/491436705.db2.gz OAHIDMLMFZBMOO-CYBMUJFWSA-N -1 3 367.402 0.391 10 0 FCAEHM CN(C)S(=O)(=O)N(C)CC(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000566339932 491437923 /nfs/dbraw/zinc/43/79/23/491437923.db2.gz AHNIGNGBJXNKOH-UHFFFAOYSA-N -1 3 371.337 0.968 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cc(=O)[n-]c(N(C)C)n2)CC[C@@H]1N1CCN(C)CC1 ZINC000558985016 491450511 /nfs/dbraw/zinc/45/05/11/491450511.db2.gz MRVHECYMUJFOOB-HIFRSBDPSA-N -1 3 362.478 0.346 10 0 FCAEHM O=C(NCCCc1cc(=O)[nH][n-]1)[C@H]1CSCN1C(=O)c1ccccc1 ZINC000673544983 493343646 /nfs/dbraw/zinc/34/36/46/493343646.db2.gz MTKDGOJLCZUNJZ-CQSZACIVSA-N -1 3 360.439 0.974 10 0 FCAEHM COc1ccc(-n2cc(CNC(=O)c3cc(=O)[n-]c(N(C)C)n3)nn2)cc1 ZINC000559018688 491452051 /nfs/dbraw/zinc/45/20/51/491452051.db2.gz MDIWUHWUINVJEC-UHFFFAOYSA-N -1 3 369.385 0.768 10 0 FCAEHM O=C1[C@H]([N-]S(=O)(=O)CC[C@@H]2CCOC2)CCCN1c1cccnc1 ZINC000559070740 491453829 /nfs/dbraw/zinc/45/38/29/491453829.db2.gz CNLLHKJEBXUMOC-DZGCQCFKSA-N -1 3 353.444 0.923 10 0 FCAEHM COc1cc(C(=O)N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)cc2c1OCCO2 ZINC000559256352 491458560 /nfs/dbraw/zinc/45/85/60/491458560.db2.gz DFBSFHBZXMDEJR-LLVKDONJSA-N -1 3 359.386 0.985 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)CCn2c3ccccc3n(C)c2=O)nc1=N ZINC000559263398 491459211 /nfs/dbraw/zinc/45/92/11/491459211.db2.gz UESWWXHBWAZIGV-AWEZNQCLSA-N -1 3 369.429 0.635 10 0 FCAEHM O=S(=O)([N-][C@H]1[C@@H]2COC[C@@H]21)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000573895117 491460988 /nfs/dbraw/zinc/46/09/88/491460988.db2.gz KFGMKQOAWIKMRO-JYAVWHMHSA-N -1 3 372.468 0.394 10 0 FCAEHM O=C(Nc1ccc2c(c1)CCCC2)C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000574013036 491468759 /nfs/dbraw/zinc/46/87/59/491468759.db2.gz RDHGWLFNPIPUKY-AWEZNQCLSA-N -1 3 356.382 0.267 10 0 FCAEHM CCO[C@@H]1C[C@@H](NC(=O)CNC(=O)c2ccc([O-])cc2)[C@@H]1n1cccn1 ZINC000567073659 491484433 /nfs/dbraw/zinc/48/44/33/491484433.db2.gz XAXKJXXQKGQRRD-INMHGKMJSA-N -1 3 358.398 0.853 10 0 FCAEHM CSc1ccc([C@H](CNC(=O)CN2CC(=O)[N-]C2=O)N(C)C)cc1 ZINC000567078812 491484636 /nfs/dbraw/zinc/48/46/36/491484636.db2.gz POMJBDXBDOEVCG-ZDUSSCGKSA-N -1 3 350.444 0.679 10 0 FCAEHM CO[C@@H]1CC[C@@H](NC(=O)N2CC[C@@H](N(C)Cc3cc(=O)[n-]c(N)n3)C2)C1 ZINC000574533145 491503553 /nfs/dbraw/zinc/50/35/53/491503553.db2.gz CJAGCLVJGZXGGT-MRVWCRGKSA-N -1 3 364.450 0.548 10 0 FCAEHM O=C(NC[C@H]1CCCS1(=O)=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000567639551 491519853 /nfs/dbraw/zinc/51/98/53/491519853.db2.gz BQRDEJWDWPVUPZ-TZMCWYRMSA-N -1 3 366.439 0.690 10 0 FCAEHM NC(=O)[C@H]1CC[C@H](CNC(=O)Cc2ccc(Br)cc2[O-])O1 ZINC000560286418 491528047 /nfs/dbraw/zinc/52/80/47/491528047.db2.gz LENBZBYMNUBGMP-ZYHUDNBSSA-N -1 3 357.204 0.846 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)c2ccnc3n[nH]nc32)s1 ZINC000574972987 491530597 /nfs/dbraw/zinc/53/05/97/491530597.db2.gz AJTJXPKAWKTMIC-UHFFFAOYSA-N -1 3 352.401 0.253 10 0 FCAEHM CCN(CC)CCN(CCOC)C(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000567867093 491536078 /nfs/dbraw/zinc/53/60/78/491536078.db2.gz GHLMKDCVOVGRDV-GJZGRUSLSA-N -1 3 371.478 0.372 10 0 FCAEHM O=C(Cn1cc(I)c(=O)[n-]c1=O)[C@@H]1CCOC1 ZINC000568271593 491565403 /nfs/dbraw/zinc/56/54/03/491565403.db2.gz FZFWLBVSDGKLGV-ZCFIWIBFSA-N -1 3 350.112 0.159 10 0 FCAEHM COC(=O)c1c(F)ccc(NC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)c1C ZINC000577151486 491595520 /nfs/dbraw/zinc/59/55/20/491595520.db2.gz CMQFTFLFVZBXRJ-LLVKDONJSA-N -1 3 364.333 0.689 10 0 FCAEHM CCn1c2ccccc2n(CC(=O)N2CCC[C@H]2c2nc(=N)n(C)[n-]2)c1=O ZINC000577146099 491595665 /nfs/dbraw/zinc/59/56/65/491595665.db2.gz WCLRPNZIXVNXET-AWEZNQCLSA-N -1 3 369.429 0.728 10 0 FCAEHM CC[C@@H]([N-]S(=O)(=O)Cc1ccc(C(=O)NC)cc1)[C@@H](O)C(F)F ZINC000577192047 491600289 /nfs/dbraw/zinc/60/02/89/491600289.db2.gz GRMGXBOFFNGVFA-VXGBXAGGSA-N -1 3 350.387 0.870 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)c2nc(C3CC3)nn2C)s1 ZINC000568953485 491622208 /nfs/dbraw/zinc/62/22/08/491622208.db2.gz OUVGBKZOFWYEAD-UHFFFAOYSA-N -1 3 355.445 0.592 10 0 FCAEHM Cc1cc(N2CCC[C@H](NC(=O)CNC(=O)c3ccc([O-])cc3)C2)n(C)n1 ZINC000683502197 493356046 /nfs/dbraw/zinc/35/60/46/493356046.db2.gz HKBFCYKLICQIAO-HNNXBMFYSA-N -1 3 371.441 0.949 10 0 FCAEHM CC[C@H](CS(=O)(=O)[N-]C[C@H]1CS(=O)(=O)c2ccccc2O1)OC ZINC000569099732 491633562 /nfs/dbraw/zinc/63/35/62/491633562.db2.gz OEUJFJZJMJWSON-NEPJUHHUSA-N -1 3 363.457 0.566 10 0 FCAEHM O=S(=O)([N-][C@H]1CCc2nnnn2CC1)c1cnccc1C(F)(F)F ZINC000569224702 491643217 /nfs/dbraw/zinc/64/32/17/491643217.db2.gz UOGLVQZBIYMXPY-QMMMGPOBSA-N -1 3 362.337 0.770 10 0 FCAEHM COCCN(C(=O)C[N-]S(=O)(=O)c1ccccc1F)[C@H]1CCOC1 ZINC000576870703 491652297 /nfs/dbraw/zinc/65/22/97/491652297.db2.gz FRTVIEGWZIAXRP-LBPRGKRZSA-N -1 3 360.407 0.368 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)NCC[C@@H](O)C(F)(F)F ZINC000562158194 491656481 /nfs/dbraw/zinc/65/64/81/491656481.db2.gz TXRVMVDOLXMNGB-SNVBAGLBSA-N -1 3 358.313 0.534 10 0 FCAEHM C[C@@H]1CCN[C@H](C(=O)N[C@@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)C1 ZINC000577855194 491657392 /nfs/dbraw/zinc/65/73/92/491657392.db2.gz IVWOPRQQRKOSNO-DMRZNYOFSA-N -1 3 359.426 0.918 10 0 FCAEHM CC1(C)COCN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000576956682 491660645 /nfs/dbraw/zinc/66/06/45/491660645.db2.gz BDEMCTOWURUZNB-UHFFFAOYSA-N -1 3 352.409 0.954 10 0 FCAEHM CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000578132439 491670596 /nfs/dbraw/zinc/67/05/96/491670596.db2.gz FLIKHCCKCBLIDJ-RRFJBIMHSA-N -1 3 353.463 0.936 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1C(F)(F)F)N1CC(CCO)C1 ZINC000578361709 491675618 /nfs/dbraw/zinc/67/56/18/491675618.db2.gz PAJCRUWMFBQWTC-UHFFFAOYSA-N -1 3 366.361 0.825 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-]Cc2ncn(-c3ccccc3)n2)C[C@H](C)O1 ZINC000578383645 491676022 /nfs/dbraw/zinc/67/60/22/491676022.db2.gz VVESKWLSDFJACA-BETUJISGSA-N -1 3 351.432 0.711 10 0 FCAEHM CC1(CO)CN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)C1 ZINC000578787392 491684590 /nfs/dbraw/zinc/68/45/90/491684590.db2.gz NOXSKWPLILRPTA-UHFFFAOYSA-N -1 3 352.409 0.200 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N[C@H]2CC23CC3)s1 ZINC000579103102 491690941 /nfs/dbraw/zinc/69/09/41/491690941.db2.gz ZGGBQLNCXJUSLT-NSHDSACASA-N -1 3 357.457 0.331 10 0 FCAEHM O=C1[N-]C(=O)[C@]2(CCCN(S(=O)(=O)c3cnc4ccccc4c3)C2)N1 ZINC000584817999 491715820 /nfs/dbraw/zinc/71/58/20/491715820.db2.gz BQBPNILXJQXGGX-MRXNPFEDSA-N -1 3 360.395 0.598 10 0 FCAEHM CNC(=O)[C@H](C[N-]S(=O)(=O)c1c[nH]cn1)Cc1ccc(OC)c(F)c1 ZINC000584837133 491716439 /nfs/dbraw/zinc/71/64/39/491716439.db2.gz ZRFPJSAZQAESBX-NSHDSACASA-N -1 3 370.406 0.441 10 0 FCAEHM O=C(NCCCN1CCCS1(=O)=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000585820978 491730941 /nfs/dbraw/zinc/73/09/41/491730941.db2.gz HMHRKLUNRPUQBM-UHFFFAOYSA-N -1 3 366.399 0.117 10 0 FCAEHM Cn1cc(NC(=O)NCc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)ccc1=O ZINC000586834142 491733411 /nfs/dbraw/zinc/73/34/11/491733411.db2.gz YDDPLIFOCUNAGG-GOSISDBHSA-N -1 3 369.381 0.762 10 0 FCAEHM O=S(=O)([N-]C[C@H]1CS(=O)(=O)c2ccccc2O1)c1cscn1 ZINC000580547464 491735667 /nfs/dbraw/zinc/73/56/67/491735667.db2.gz BULVWEIWUAQSOZ-VIFPVBQESA-N -1 3 360.438 0.656 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CCOc3ccccc32)cn1C ZINC000588637626 491745002 /nfs/dbraw/zinc/74/50/02/491745002.db2.gz QZQRVSFTNJMMEB-UHFFFAOYSA-N -1 3 364.427 0.823 10 0 FCAEHM Cc1c(C(=O)N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)cccc1S(N)(=O)=O ZINC000580839276 491748364 /nfs/dbraw/zinc/74/83/64/491748364.db2.gz PDYNJNJJSKAUAI-LLVKDONJSA-N -1 3 364.431 0.161 10 0 FCAEHM C[C@H]1CN(c2cccc3cnccc32)CCN1C(=O)CN1CC(=O)[N-]C1=O ZINC000581918623 491790369 /nfs/dbraw/zinc/79/03/69/491790369.db2.gz AZEUBJHQSVQNQG-ZDUSSCGKSA-N -1 3 367.409 0.824 10 0 FCAEHM Cc1nnsc1Cn1cc(I)c(=O)[n-]c1=O ZINC000581954674 491791889 /nfs/dbraw/zinc/79/18/89/491791889.db2.gz GPAOWEIXBXAQIX-UHFFFAOYSA-N -1 3 350.141 0.762 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@@H](CO)[C@@H]1CCCOC1 ZINC000582133201 491799355 /nfs/dbraw/zinc/79/93/55/491799355.db2.gz MVWGLBFUGJZGAQ-NEPJUHHUSA-N -1 3 361.416 0.749 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NC[C@@H](CO)[C@H]1CCOC1 ZINC000582279408 491805226 /nfs/dbraw/zinc/80/52/26/491805226.db2.gz GEFFNPKAWTXPGR-RYUDHWBXSA-N -1 3 360.414 0.926 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C(=O)OC)c2ccnn2C)oc1C ZINC000592091383 491831569 /nfs/dbraw/zinc/83/15/69/491831569.db2.gz JOEVNRATPSCXAJ-GFCCVEGCSA-N -1 3 371.371 0.301 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C(=O)OC)c2ccnn2C)s1 ZINC000592090243 491831730 /nfs/dbraw/zinc/83/17/30/491831730.db2.gz FUOHVTDJOVYHRF-LLVKDONJSA-N -1 3 373.412 0.461 10 0 FCAEHM CCN(Cc1ccccc1)S(=O)(=O)[N-][C@H](C(=O)OC)c1ccnn1C ZINC000592091911 491831766 /nfs/dbraw/zinc/83/17/66/491831766.db2.gz MODSYGQSITYHAW-HNNXBMFYSA-N -1 3 366.443 0.991 10 0 FCAEHM Cc1csc(S(=O)(=O)[N-][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c1 ZINC000583244952 491840700 /nfs/dbraw/zinc/84/07/00/491840700.db2.gz XJINKOHPJHRZJS-LLVKDONJSA-N -1 3 367.518 0.606 10 0 FCAEHM CN(C)[C@H]1CCCN(C(=O)C(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)C1 ZINC000583934854 491855051 /nfs/dbraw/zinc/85/50/51/491855051.db2.gz YNOQVHYAYHUVOR-BBWFWOEESA-N -1 3 373.453 0.866 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)CCOc2ccc(C(N)=O)cc2)nc1=N ZINC000584045273 491857156 /nfs/dbraw/zinc/85/71/56/491857156.db2.gz HLZNBZRFYYMBAE-CYBMUJFWSA-N -1 3 358.402 0.459 10 0 FCAEHM COC(=O)[C@](C)(CCF)[N-]S(=O)(=O)C1CN(C(=O)C2CCCC2)C1 ZINC000594867044 491868458 /nfs/dbraw/zinc/86/84/58/491868458.db2.gz UEUZEFZCRKVIJI-HNNXBMFYSA-N -1 3 364.439 0.598 10 0 FCAEHM COC(=O)C1([N-]S(=O)(=O)[C@H]2CC(=O)N(C3CC3)C2)CCCCCC1 ZINC000601300401 491902596 /nfs/dbraw/zinc/90/25/96/491902596.db2.gz WYDPFDHXDIVNIC-ZDUSSCGKSA-N -1 3 358.460 0.935 10 0 FCAEHM CCOC(=O)[C@H](CCC(C)(C)C)[N-]S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC000601391625 491911899 /nfs/dbraw/zinc/91/18/99/491911899.db2.gz SECCFZDNGJSUGH-KBPBESRZSA-N -1 3 364.508 0.994 10 0 FCAEHM Cn1ccnc1COCC(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000612739900 491947876 /nfs/dbraw/zinc/94/78/76/491947876.db2.gz QVWBRFAINPFBKT-UHFFFAOYSA-N -1 3 358.445 0.093 10 0 FCAEHM CN1c2ccc(C(=O)N3CCC[C@@]4(C3)NC(=O)[N-]C4=O)cc2C(C)(C)C1=O ZINC000614198993 492019239 /nfs/dbraw/zinc/01/92/39/492019239.db2.gz ORSUXTHZSHKOPG-IBGZPJMESA-N -1 3 370.409 0.755 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)[C@H]1[C@@H]2COC[C@@H]21 ZINC000614448613 492030781 /nfs/dbraw/zinc/03/07/81/492030781.db2.gz FBDRTAQOGISQDB-IWIIMEHWSA-N -1 3 362.810 0.766 10 0 FCAEHM CC(C)(C)OC(=O)[C@@H](C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O)C1CC1 ZINC000597579127 492048778 /nfs/dbraw/zinc/04/87/78/492048778.db2.gz CBEWRGUXOYZJDQ-DIFFPNOSSA-N -1 3 351.403 0.555 10 0 FCAEHM COC[C@]1(C(=O)N[C@@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])CCOC1 ZINC000614816723 492057253 /nfs/dbraw/zinc/05/72/53/492057253.db2.gz JEHLHYYETBCWKK-NVGCLXPQSA-N -1 3 351.403 0.920 10 0 FCAEHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)c1nnn(C(C)(C)C)n1 ZINC000614822212 492057947 /nfs/dbraw/zinc/05/79/47/492057947.db2.gz KRZCTGNBILVSFB-ZJUUUORDSA-N -1 3 361.406 0.922 10 0 FCAEHM COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)CC[C@@H]1NC(=O)[N-]C1=O ZINC000604546725 492063460 /nfs/dbraw/zinc/06/34/60/492063460.db2.gz QMLDJFYGOKVHJA-JSGCOSHPSA-N -1 3 361.398 0.813 10 0 FCAEHM COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)CC[C@H]1NC(=O)[N-]C1=O ZINC000604546724 492063533 /nfs/dbraw/zinc/06/35/33/492063533.db2.gz QMLDJFYGOKVHJA-GXTWGEPZSA-N -1 3 361.398 0.813 10 0 FCAEHM O=C(NCCCc1cc(=O)[nH][n-]1)[C@H](C[C@@H]1COCCO1)C(F)(F)F ZINC000614922762 492064280 /nfs/dbraw/zinc/06/42/80/492064280.db2.gz PGKVWIOJVOAPMZ-MNOVXSKESA-N -1 3 351.325 0.743 10 0 FCAEHM CC(=O)c1cnc(NC(=O)CC[N-]S(=O)(=O)c2cn(C)c(C)n2)s1 ZINC000605381031 492093162 /nfs/dbraw/zinc/09/31/62/492093162.db2.gz BDEBOPDBTKASLW-UHFFFAOYSA-N -1 3 371.444 0.695 10 0 FCAEHM COC(=O)[C@@](C)(CCF)NC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000598285859 492093225 /nfs/dbraw/zinc/09/32/25/492093225.db2.gz PTTKLDCGNOCIBU-SJORKVTESA-N -1 3 365.361 0.762 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC[C@@H]2c2cn[nH]c2)cn1C ZINC000615903148 492106642 /nfs/dbraw/zinc/10/66/42/492106642.db2.gz KVVSHPSOAMKONY-GFCCVEGCSA-N -1 3 352.420 0.094 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CCC[C@@H]2c2cn[nH]c2)cn1C ZINC000615905060 492106692 /nfs/dbraw/zinc/10/66/92/492106692.db2.gz UUIHQMZWZIRDNQ-CYBMUJFWSA-N -1 3 366.447 0.484 10 0 FCAEHM CCOC(=O)c1nc(CNC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@H](C)C2)n[n-]1 ZINC000615919247 492107019 /nfs/dbraw/zinc/10/70/19/492107019.db2.gz CBAOKJUDJBRTBV-BZPMIXESSA-N -1 3 367.450 0.731 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@H](C)C2)[n-]1 ZINC000615919247 492107020 /nfs/dbraw/zinc/10/70/20/492107020.db2.gz CBAOKJUDJBRTBV-BZPMIXESSA-N -1 3 367.450 0.731 10 0 FCAEHM CCOC(=O)c1n[n-]c(CNC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@H](C)C2)n1 ZINC000615919247 492107022 /nfs/dbraw/zinc/10/70/22/492107022.db2.gz CBAOKJUDJBRTBV-BZPMIXESSA-N -1 3 367.450 0.731 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)c2ccc(OC)c(OC)c2OC)[n-]1 ZINC000615916976 492107353 /nfs/dbraw/zinc/10/73/53/492107353.db2.gz ILSOPHRYLANHMT-UHFFFAOYSA-N -1 3 364.358 0.937 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)[C@@H]2CCCN2c2nccs2)[n-]1 ZINC000615919619 492107842 /nfs/dbraw/zinc/10/78/42/492107842.db2.gz HNFSOKFLRCYNER-VIFPVBQESA-N -1 3 350.404 0.723 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)c2cnn(-c3ccccn3)c2C)[n-]1 ZINC000615919626 492108110 /nfs/dbraw/zinc/10/81/10/492108110.db2.gz HTDGMDVDNVGNFS-UHFFFAOYSA-N -1 3 355.358 0.801 10 0 FCAEHM CCOCCS(=O)(=O)NCC(=O)NCc1ccc([O-])c2ncccc12 ZINC000616025859 492115160 /nfs/dbraw/zinc/11/51/60/492115160.db2.gz XIIZRTBCSBWOSI-UHFFFAOYSA-N -1 3 367.427 0.513 10 0 FCAEHM COC(=O)c1[n-]cnc1NC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccnc1 ZINC000598848751 492119661 /nfs/dbraw/zinc/11/96/61/492119661.db2.gz ZRPYKGXYQLMAQS-QWHCGFSZSA-N -1 3 359.342 0.128 10 0 FCAEHM COC(=O)c1nc[n-]c1NC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccnc1 ZINC000598848751 492119662 /nfs/dbraw/zinc/11/96/62/492119662.db2.gz ZRPYKGXYQLMAQS-QWHCGFSZSA-N -1 3 359.342 0.128 10 0 FCAEHM COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000598894692 492120786 /nfs/dbraw/zinc/12/07/86/492120786.db2.gz QTWHEQVGNLCCDB-LLVKDONJSA-N -1 3 360.288 0.915 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000606417605 492121908 /nfs/dbraw/zinc/12/19/08/492121908.db2.gz SPHYDCXGPXMSKB-SDDRHHMPSA-N -1 3 371.434 0.653 10 0 FCAEHM O=C(CC[C@H]1NC(=O)[N-]C1=O)Nc1ccc(F)cc1N1CCOCC1 ZINC000616246682 492122705 /nfs/dbraw/zinc/12/27/05/492122705.db2.gz NHVCQFSLYNYYHM-GFCCVEGCSA-N -1 3 350.350 0.589 10 0 FCAEHM COC(=O)C(C)(C)CS(=O)(=O)[N-][C@@H]1c2ccccc2CN(C)C1=O ZINC000598938008 492125989 /nfs/dbraw/zinc/12/59/89/492125989.db2.gz BNTFHYZPOINUQU-CYBMUJFWSA-N -1 3 354.428 0.818 10 0 FCAEHM C[C@@H]1CN(Cc2cccc(NC(=O)C(=O)NCc3nn[n-]n3)c2)C[C@@H](C)O1 ZINC000606726786 492128268 /nfs/dbraw/zinc/12/82/68/492128268.db2.gz OAPBABUDQZKIOF-VXGBXAGGSA-N -1 3 373.417 0.064 10 0 FCAEHM CCc1cc(NC(=O)C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)no1 ZINC000606990837 492134884 /nfs/dbraw/zinc/13/48/84/492134884.db2.gz CNLAVCRXBLVQGP-UHFFFAOYSA-N -1 3 372.381 0.866 10 0 FCAEHM CO[C@H](C)CN(C(C)C)S(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000607164794 492140201 /nfs/dbraw/zinc/14/02/01/492140201.db2.gz LUAVUGLOLNUGEI-SNVBAGLBSA-N -1 3 370.431 0.468 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]CCOC[C@H]2CCOC2)on1 ZINC000599229738 492145997 /nfs/dbraw/zinc/14/59/97/492145997.db2.gz YGEYUGARRSIXNW-NSHDSACASA-N -1 3 362.404 0.324 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]C[C@@H](CO)Cc2ccco2)on1 ZINC000599237747 492146769 /nfs/dbraw/zinc/14/67/69/492146769.db2.gz DOOVNUNSQZXQDO-NSHDSACASA-N -1 3 372.399 0.715 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]C[C@@]2(O)CCSC2)on1 ZINC000599249165 492148875 /nfs/dbraw/zinc/14/88/75/492148875.db2.gz SSVSPNVXFCALGJ-LBPRGKRZSA-N -1 3 350.418 0.139 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]C[C@H](C)C(=O)OC(C)C)on1 ZINC000599248860 492148907 /nfs/dbraw/zinc/14/89/07/492148907.db2.gz BZPVSFCORITTHP-JTQLQIEISA-N -1 3 362.404 0.858 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H]2CN(C3CC3)C[C@@H]2C)on1 ZINC000599259798 492150390 /nfs/dbraw/zinc/15/03/90/492150390.db2.gz XBHXWWORTUISJI-IINYFYTJSA-N -1 3 357.432 0.753 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H](CC(C)C)C(=O)NC)on1 ZINC000599264001 492151227 /nfs/dbraw/zinc/15/12/27/492151227.db2.gz KGXUPICWQZOOHS-NSHDSACASA-N -1 3 361.420 0.431 10 0 FCAEHM CO[C@@H](CNC(=O)CCNC(=O)c1ccc(C)cc1[O-])[C@@H]1CCOC1 ZINC000617135979 492156424 /nfs/dbraw/zinc/15/64/24/492156424.db2.gz UOEHYBWURLAQAT-CJNGLKHVSA-N -1 3 350.415 0.988 10 0 FCAEHM CO[C@H](CNC(=O)CC[N-]S(=O)(=O)c1ccccc1F)[C@@H]1CCOC1 ZINC000617152020 492157610 /nfs/dbraw/zinc/15/76/10/492157610.db2.gz CRBPPMIAJQSUMR-TZMCWYRMSA-N -1 3 374.434 0.662 10 0 FCAEHM COC[C@@H](CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F)OC ZINC000617228385 492160209 /nfs/dbraw/zinc/16/02/09/492160209.db2.gz KKXHOBDXOYWVEH-NWDGAFQWSA-N -1 3 362.423 0.660 10 0 FCAEHM COC(=O)[C@H](CCF)[N-]S(=O)(=O)c1cccnc1OCC(F)F ZINC000599338037 492162097 /nfs/dbraw/zinc/16/20/97/492162097.db2.gz AADKTMAJBAMGRF-QMMMGPOBSA-N -1 3 356.322 0.905 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]CCc2cncc(C)n2)on1 ZINC000599346601 492162986 /nfs/dbraw/zinc/16/29/86/492162986.db2.gz LKGWNIAZRBPGRE-UHFFFAOYSA-N -1 3 354.388 0.612 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](COC)C2CCOCC2)cn1 ZINC000617367588 492165629 /nfs/dbraw/zinc/16/56/29/492165629.db2.gz DDPRILWZKBPQGK-ZDUSSCGKSA-N -1 3 357.432 0.161 10 0 FCAEHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H](O)[C@@H]1CCCO1 ZINC000599392312 492167163 /nfs/dbraw/zinc/16/71/63/492167163.db2.gz QPLPAVAGKBKNCG-NEPJUHHUSA-N -1 3 363.819 0.945 10 0 FCAEHM CSCC[C@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)C(N)=O ZINC000599402430 492168560 /nfs/dbraw/zinc/16/85/60/492168560.db2.gz RAOJOPGKSJMGFG-QMMMGPOBSA-N -1 3 357.379 0.986 10 0 FCAEHM Cn1ccnc1C[C@@H](NC(=O)c1cn(C)c(=O)[n-]c1=O)c1ccccc1 ZINC000608206791 492168581 /nfs/dbraw/zinc/16/85/81/492168581.db2.gz KAGCETIXOMNTMF-CQSZACIVSA-N -1 3 353.382 0.933 10 0 FCAEHM NC(=O)c1coc(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])n1 ZINC000617488343 492171168 /nfs/dbraw/zinc/17/11/68/492171168.db2.gz WUHCREINLNQXEU-GFCCVEGCSA-N -1 3 358.354 0.400 10 0 FCAEHM COC(=O)CCNC(=O)CC[N-]S(=O)(=O)c1ccc(Cl)c(F)c1 ZINC000599476928 492178332 /nfs/dbraw/zinc/17/83/32/492178332.db2.gz QERFISIMJZBBGK-UHFFFAOYSA-N -1 3 366.798 0.827 10 0 FCAEHM Cn1ncc2c1nc(CN(CC(=O)N1CCCC1)C[C@@H]1CCCO1)[n-]c2=O ZINC000608577057 492181200 /nfs/dbraw/zinc/18/12/00/492181200.db2.gz OXAVEXAKAFOPOL-ZDUSSCGKSA-N -1 3 374.445 0.672 10 0 FCAEHM COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)[N-][C@H]1CCN(C2CCC2)C1=O ZINC000599523656 492183579 /nfs/dbraw/zinc/18/35/79/492183579.db2.gz CPOXSNLDJRRBQC-HZSPNIEDSA-N -1 3 358.460 0.791 10 0 FCAEHM COCc1n[nH]c(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])n1 ZINC000617935618 492206374 /nfs/dbraw/zinc/20/63/74/492206374.db2.gz JFRWWVLXLZNNFZ-GFCCVEGCSA-N -1 3 359.386 0.578 10 0 FCAEHM COC(=O)C(C)(C)N(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000609379611 492207464 /nfs/dbraw/zinc/20/74/64/492207464.db2.gz GCWGALMMRMPAGK-JTQLQIEISA-N -1 3 360.407 0.903 10 0 FCAEHM C[C@@]1(c2ccc(C(=O)NCCO[C@H]3CC3(F)F)cc2)NC(=O)[N-]C1=O ZINC000618130309 492211480 /nfs/dbraw/zinc/21/14/80/492211480.db2.gz KJARPYUQZUNKIC-NHYWBVRUSA-N -1 3 353.325 0.895 10 0 FCAEHM CN(CC1CN(C)C1)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000618196197 492215479 /nfs/dbraw/zinc/21/54/79/492215479.db2.gz NBVALVCYEIPZII-UHFFFAOYSA-N -1 3 367.471 0.810 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CCC[C@@](O)(C3CC3)C2)cn1C ZINC000618288753 492220531 /nfs/dbraw/zinc/22/05/31/492220531.db2.gz GYHPAJWKHFBTIL-INIZCTEOSA-N -1 3 370.475 0.160 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)N[C@H]2CC[C@@H](C)S(=O)(=O)C2)c([O-])c1 ZINC000618324434 492224303 /nfs/dbraw/zinc/22/43/03/492224303.db2.gz VPEZKOWSJQHALJ-OLZOCXBDSA-N -1 3 368.455 0.902 10 0 FCAEHM CN(CCc1ccccc1)[C@@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000618354765 492225602 /nfs/dbraw/zinc/22/56/02/492225602.db2.gz IGKUVANYBCXUGD-OAHLLOKOSA-N -1 3 356.426 0.875 10 0 FCAEHM COc1cc(C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)cc(OC)c1[O-] ZINC000618676436 492234533 /nfs/dbraw/zinc/23/45/33/492234533.db2.gz SQDYWGKYVYLHPW-SNVBAGLBSA-N -1 3 358.416 0.515 10 0 FCAEHM C[C@@]12COC[C@H]1CN(C(=O)CC[N-]S(=O)(=O)c1ccccc1F)C2 ZINC000618727237 492236490 /nfs/dbraw/zinc/23/64/90/492236490.db2.gz RONHOCHTFWALRV-MLGOLLRUSA-N -1 3 356.419 0.989 10 0 FCAEHM CNS(=O)(=O)CC(=O)Nc1cc(I)ccc1[O-] ZINC000611157278 492279749 /nfs/dbraw/zinc/27/97/49/492279749.db2.gz YBCURHDXJBRVQB-UHFFFAOYSA-N -1 3 370.168 0.485 10 0 FCAEHM C[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccco2)C[C@@H]1C(=O)[O-] ZINC000647504238 492298976 /nfs/dbraw/zinc/29/89/76/492298976.db2.gz LSMGZQVRZDCSOV-HIFRSBDPSA-N -1 3 365.430 0.739 10 0 FCAEHM Cc1ccc(C(=O)NC2CCN(C(=O)CN3CC(=O)[N-]C3=O)CC2)cc1 ZINC000633900764 492301815 /nfs/dbraw/zinc/30/18/15/492301815.db2.gz WRRKHCFDGJTRPH-UHFFFAOYSA-N -1 3 358.398 0.268 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCc2nccnc2C1 ZINC000620424687 492309266 /nfs/dbraw/zinc/30/92/66/492309266.db2.gz JRRFKEIUTJTVTC-UHFFFAOYSA-N -1 3 366.175 0.086 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCC[C@@H](O)C(F)F ZINC000633993467 492312658 /nfs/dbraw/zinc/31/26/58/492312658.db2.gz GHERMQFAJJQAIK-WCBMZHEXSA-N -1 3 354.350 0.625 10 0 FCAEHM COCC1(C2CC2)CN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC000634050144 492316117 /nfs/dbraw/zinc/31/61/17/492316117.db2.gz ZFUYBLCOIUOATI-UHFFFAOYSA-N -1 3 372.219 0.596 10 0 FCAEHM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000647591552 492329417 /nfs/dbraw/zinc/32/94/17/492329417.db2.gz CNWGYGXXFOTROY-ILXRZTDVSA-N -1 3 351.447 0.833 10 0 FCAEHM C[C@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000647606858 492333748 /nfs/dbraw/zinc/33/37/48/492333748.db2.gz QOVMPSSXOHOBAG-JTQLQIEISA-N -1 3 373.406 0.264 10 0 FCAEHM C[C@]1(c2ccc(C(=O)N3CC[C@@H](N4CCC4)[C@H](F)C3)cc2)NC(=O)[N-]C1=O ZINC000647628059 492338755 /nfs/dbraw/zinc/33/87/55/492338755.db2.gz FJDZWBCLTTXLJK-SPYBWZPUSA-N -1 3 374.416 1.000 10 0 FCAEHM Cn1cc(-c2noc(-c3cnc4c(c3)c(=O)[n-]c(=O)n4C3CC3)n2)nn1 ZINC000647704713 492347447 /nfs/dbraw/zinc/34/74/47/492347447.db2.gz HCAQCEIBKPLDHB-UHFFFAOYSA-N -1 3 352.314 0.678 10 0 FCAEHM COCC1(NC(=O)C[N-]S(=O)(=O)c2cn(C)c(C)n2)CCCCC1 ZINC000621020854 492352957 /nfs/dbraw/zinc/35/29/57/492352957.db2.gz UGNRRHBUPMDJNU-UHFFFAOYSA-N -1 3 358.464 0.472 10 0 FCAEHM O=C(CC[C@@H]1NC(=O)[N-]C1=O)N[C@H]1CCc2ccccc2-n2ccnc21 ZINC000621177841 492360314 /nfs/dbraw/zinc/36/03/14/492360314.db2.gz KJKICVOLROJCRY-STQMWFEESA-N -1 3 353.382 0.964 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@@](C)(C(F)F)C2)c(C)o1 ZINC000621194656 492360836 /nfs/dbraw/zinc/36/08/36/492360836.db2.gz WZXAWAAZSZFSPB-CYBMUJFWSA-N -1 3 352.359 0.992 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCCC(=O)NC1CC1 ZINC000642573895 492364583 /nfs/dbraw/zinc/36/45/83/492364583.db2.gz KTSZLSINSHSUTO-NSHDSACASA-N -1 3 371.434 0.668 10 0 FCAEHM CCO[C@@]1(C)C[C@H]1NC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000627845456 492400346 /nfs/dbraw/zinc/40/03/46/492400346.db2.gz IFWGGOJQYXGEAA-DOMZBBRYSA-N -1 3 373.406 0.356 10 0 FCAEHM O=C(N[C@H]1CCCNC1=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000621669541 492402700 /nfs/dbraw/zinc/40/27/00/492402700.db2.gz IYHVOPYNDFUCIJ-HNNXBMFYSA-N -1 3 374.422 0.313 10 0 FCAEHM CO[C@@H]1CC[C@H](C(=O)NCC(=O)Nc2cccc3c(=O)[nH][n-]c(=O)c23)C1 ZINC000621730289 492406968 /nfs/dbraw/zinc/40/69/68/492406968.db2.gz HICSZMIYJYNUIE-VHSXEESVSA-N -1 3 360.370 0.911 10 0 FCAEHM CO[C@@H]1CC[C@H](C(=O)NCC(=O)Nc2cccc3c(=O)[n-][nH]c(=O)c23)C1 ZINC000621730289 492406970 /nfs/dbraw/zinc/40/69/70/492406970.db2.gz HICSZMIYJYNUIE-VHSXEESVSA-N -1 3 360.370 0.911 10 0 FCAEHM CC(C)[C@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)C1(CO)CC=CC1 ZINC000655176957 492409771 /nfs/dbraw/zinc/40/97/71/492409771.db2.gz UVMXNOZZMFASMI-HNNXBMFYSA-N -1 3 370.475 0.168 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCC(c2ccc3cccnc3n2)CC1 ZINC000655266299 492423094 /nfs/dbraw/zinc/42/30/94/492423094.db2.gz BUOJQHNKKOOQCY-AWEZNQCLSA-N -1 3 353.382 0.934 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655295493 492427459 /nfs/dbraw/zinc/42/74/59/492427459.db2.gz CRELPWMAICCPBA-SQWLQELKSA-N -1 3 359.426 0.274 10 0 FCAEHM COC[C@@H](CC(C)(C)C)NC(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000655304589 492433259 /nfs/dbraw/zinc/43/32/59/492433259.db2.gz ZOGOVYTVNZDCFD-CYBMUJFWSA-N -1 3 374.507 0.964 10 0 FCAEHM Cn1cc([C@H](NC(=O)CNC(=O)c2ccc([O-])cc2)C2(CO)CCC2)cn1 ZINC000622061387 492450567 /nfs/dbraw/zinc/45/05/67/492450567.db2.gz FZBSJUJAPZYATK-KRWDZBQOSA-N -1 3 372.425 0.876 10 0 FCAEHM COc1ccccc1-c1nc(NC(=O)[C@@H]2CCN(C)S2(=O)=O)n[n-]1 ZINC000648746219 492451119 /nfs/dbraw/zinc/45/11/19/492451119.db2.gz PDDVHLXQCUNKKK-NSHDSACASA-N -1 3 351.388 0.453 10 0 FCAEHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@@H]2CCN(C)S2(=O)=O)c1 ZINC000648796689 492458654 /nfs/dbraw/zinc/45/86/54/492458654.db2.gz MWZVDQMCCUHMTB-LBPRGKRZSA-N -1 3 361.445 0.339 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NCCc1cnccc1C ZINC000622143228 492458716 /nfs/dbraw/zinc/45/87/16/492458716.db2.gz LISUSAYEFQDCGX-UHFFFAOYSA-N -1 3 352.416 0.632 10 0 FCAEHM CO[C@@H](C)CS(=O)(=O)[N-]c1ccc([C@]2(C)NC(=O)N(C)C2=O)cc1 ZINC000655586652 492459609 /nfs/dbraw/zinc/45/96/09/492459609.db2.gz BMVKLAWDQJGHQL-BONVTDFDSA-N -1 3 355.416 0.860 10 0 FCAEHM CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)CCc3c(C)nc(C)[n-]c3=O)C[C@H]21 ZINC000622175341 492464467 /nfs/dbraw/zinc/46/44/67/492464467.db2.gz GCLMOVXSWXMYHP-MJBXVCDLSA-N -1 3 369.443 0.002 10 0 FCAEHM COCCOc1ccc(F)cc1S(=O)(=O)[N-]C[C@@](C)(CO)OC ZINC000655623522 492466266 /nfs/dbraw/zinc/46/62/66/492466266.db2.gz TZVKZFXFGWPRMT-AWEZNQCLSA-N -1 3 351.396 0.527 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CC[C@@H](C)[C@H](CO)C1 ZINC000622222905 492466420 /nfs/dbraw/zinc/46/64/20/492466420.db2.gz CTLNKDHBVASWPP-AGIUHOORSA-N -1 3 358.435 0.969 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCCc1ncn(C)n1 ZINC000648985704 492481629 /nfs/dbraw/zinc/48/16/29/492481629.db2.gz DNCPUCCPHAANQL-SNVBAGLBSA-N -1 3 357.461 0.292 10 0 FCAEHM CSc1nc(=O)[n-]c(C)c1C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000649074397 492491475 /nfs/dbraw/zinc/49/14/75/492491475.db2.gz IDDDPGDSGOVIFL-JTQLQIEISA-N -1 3 353.448 0.405 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)N2CCN(c3nccnn3)CC2)c([O-])c1 ZINC000628380938 492497853 /nfs/dbraw/zinc/49/78/53/492497853.db2.gz KSLSLFMWWQZMHK-UHFFFAOYSA-N -1 3 370.413 0.354 10 0 FCAEHM CN1CCC2(CC1)CN(C(=O)c1ccccc1[N-]S(C)(=O)=O)CCO2 ZINC000649135934 492504658 /nfs/dbraw/zinc/50/46/58/492504658.db2.gz ONXDGRLPMVHNDE-UHFFFAOYSA-N -1 3 367.471 0.995 10 0 FCAEHM COc1cc(CNC(=O)CN2CC(=O)[N-]C2=O)c(Br)cc1O ZINC000649194484 492509078 /nfs/dbraw/zinc/50/90/78/492509078.db2.gz CABWTJHXNHFMBH-UHFFFAOYSA-N -1 3 372.175 0.331 10 0 FCAEHM CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(C)C)C(=O)[O-] ZINC000656009911 492515203 /nfs/dbraw/zinc/51/52/03/492515203.db2.gz IDESRULFAZNDRX-QLFBSQMISA-N -1 3 353.463 0.933 10 0 FCAEHM CN1c2ccccc2CN(C(=O)NCc2nc(CN)cc(=O)[n-]2)CC1=O ZINC000623180549 492524226 /nfs/dbraw/zinc/52/42/26/492524226.db2.gz MHFBZGLHGBDESY-UHFFFAOYSA-N -1 3 356.386 0.329 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)N[C@@H]1Cc2cncn2C1 ZINC000623280731 492537893 /nfs/dbraw/zinc/53/78/93/492537893.db2.gz APWQNITVMYUOLW-LLVKDONJSA-N -1 3 352.391 0.432 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N[C@@]2(CO)CCCC(C)(C)C2)c1 ZINC000628806822 492552449 /nfs/dbraw/zinc/55/24/49/492552449.db2.gz PWICAVFDRQUFAP-HNNXBMFYSA-N -1 3 358.464 0.146 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N[C@H]1COCCC1=O ZINC000628872803 492558283 /nfs/dbraw/zinc/55/82/83/492558283.db2.gz YZCZWNFJENOGGR-ZETCQYMHSA-N -1 3 352.821 0.154 10 0 FCAEHM COC1(CS(=O)(=O)[N-]c2ccc3c(c2)OCC(=O)N3)CCOCC1 ZINC000650166684 492618740 /nfs/dbraw/zinc/61/87/40/492618740.db2.gz HLHDZZSUPHKTTA-UHFFFAOYSA-N -1 3 356.400 0.955 10 0 FCAEHM CC1(F)CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2cn[nH]c2)C1 ZINC000656391372 492620869 /nfs/dbraw/zinc/62/08/69/492620869.db2.gz BOKZYDRJETZPLN-UHFFFAOYSA-N -1 3 354.429 0.305 10 0 FCAEHM O=C(NC[C@@H]1CN(Cc2ccncc2)CCO1)c1cccc2nn[n-]c21 ZINC000629435252 492629107 /nfs/dbraw/zinc/62/91/07/492629107.db2.gz JBOJTXIXZVATQJ-CQSZACIVSA-N -1 3 352.398 0.984 10 0 FCAEHM O=C(NC[C@@H]1CN(Cc2ccncc2)CCO1)c1cccc2[n-]nnc21 ZINC000629435252 492629111 /nfs/dbraw/zinc/62/91/11/492629111.db2.gz JBOJTXIXZVATQJ-CQSZACIVSA-N -1 3 352.398 0.984 10 0 FCAEHM O=C(NC[C@@H]1CN(Cc2ccncc2)CCO1)c1cccc2n[n-]nc21 ZINC000629435252 492629115 /nfs/dbraw/zinc/62/91/15/492629115.db2.gz JBOJTXIXZVATQJ-CQSZACIVSA-N -1 3 352.398 0.984 10 0 FCAEHM O=C(NC[C@H]1CN(Cc2ccncc2)CCO1)c1cccc2nn[n-]c21 ZINC000629435250 492629438 /nfs/dbraw/zinc/62/94/38/492629438.db2.gz JBOJTXIXZVATQJ-AWEZNQCLSA-N -1 3 352.398 0.984 10 0 FCAEHM O=C(NC[C@H]1CN(Cc2ccncc2)CCO1)c1cccc2[n-]nnc21 ZINC000629435250 492629441 /nfs/dbraw/zinc/62/94/41/492629441.db2.gz JBOJTXIXZVATQJ-AWEZNQCLSA-N -1 3 352.398 0.984 10 0 FCAEHM O=C(NC[C@H]1CN(Cc2ccncc2)CCO1)c1cccc2n[n-]nc21 ZINC000629435250 492629447 /nfs/dbraw/zinc/62/94/47/492629447.db2.gz JBOJTXIXZVATQJ-AWEZNQCLSA-N -1 3 352.398 0.984 10 0 FCAEHM CN(C)S(=O)(=O)N1CC(NC(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000629532707 492639843 /nfs/dbraw/zinc/63/98/43/492639843.db2.gz NKOFUSKRVJSQSA-UHFFFAOYSA-N -1 3 353.444 0.491 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]c1ccnn1-c1ccc(C)nn1)[C@@H]1CCOC1 ZINC000656730442 492647347 /nfs/dbraw/zinc/64/73/47/492647347.db2.gz ITGVWYPNKRZJLR-CHWSQXEVSA-N -1 3 367.431 0.764 10 0 FCAEHM O=C(NCc1ncccc1[O-])N[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000624602241 492663981 /nfs/dbraw/zinc/66/39/81/492663981.db2.gz HAOLEGUBXYHLRS-NSHDSACASA-N -1 3 354.374 0.303 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@@H]1CCN(CC(F)(F)F)C1=O)[C@H]1CCOC1 ZINC000656901209 492664263 /nfs/dbraw/zinc/66/42/63/492664263.db2.gz MUOLQEBXCAVKRR-HBNTYKKESA-N -1 3 374.381 0.121 10 0 FCAEHM CC(=O)N1CCc2sc(S(=O)(=O)[N-][C@H]3CCC(=O)N(C)C3)cc2C1 ZINC000656908043 492666055 /nfs/dbraw/zinc/66/60/55/492666055.db2.gz PSCVRZJQWIQLRC-LBPRGKRZSA-N -1 3 371.484 0.552 10 0 FCAEHM CC(=O)N1CCc2sc(S(=O)(=O)[N-]C3(CC(N)=O)CCC3)cc2C1 ZINC000656930328 492672082 /nfs/dbraw/zinc/67/20/82/492672082.db2.gz KXWCZMMWLYCQQY-UHFFFAOYSA-N -1 3 371.484 0.729 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]CC1(S(C)(=O)=O)CCCC1)[C@@H]1CCOC1 ZINC000656989600 492688097 /nfs/dbraw/zinc/68/80/97/492688097.db2.gz FIYGCJCOAGLYRW-CHWSQXEVSA-N -1 3 369.505 0.315 10 0 FCAEHM O=C(c1cccc(Cl)c1)N1CC(S(=O)(=O)[N-]C2COCCOC2)C1 ZINC000644288333 492692122 /nfs/dbraw/zinc/69/21/22/492692122.db2.gz XTTKSEJSMMYAKR-UHFFFAOYSA-N -1 3 374.846 0.499 10 0 FCAEHM Cn1nccc1[C@@H](CO)[N-]S(=O)(=O)c1cnc2onc(C3CC3)c2c1 ZINC000657011146 492693051 /nfs/dbraw/zinc/69/30/51/492693051.db2.gz YMQFUCCTUAOZJV-GFCCVEGCSA-N -1 3 363.399 0.846 10 0 FCAEHM COC[C@@]1(C)CN(C(=O)C[N-]S(=O)(=O)c2ccccc2F)CCO1 ZINC000629909169 492700418 /nfs/dbraw/zinc/70/04/18/492700418.db2.gz HKSXJKHYNYYPBG-OAHLLOKOSA-N -1 3 360.407 0.368 10 0 FCAEHM COCCN1CCC[C@@H]1C[N-]S(=O)(=O)c1cnnn1-c1ccccc1 ZINC000624951785 492701961 /nfs/dbraw/zinc/70/19/61/492701961.db2.gz QAEZKWQEORVIDE-OAHLLOKOSA-N -1 3 365.459 0.656 10 0 FCAEHM COC[C@H](CC[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1)OC ZINC000657052446 492705014 /nfs/dbraw/zinc/70/50/14/492705014.db2.gz KGJRQVXAKMNNQD-NSHDSACASA-N -1 3 350.462 0.714 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N[C@H]1CCN(C2CCC2)C1=O ZINC000629931606 492707198 /nfs/dbraw/zinc/70/71/98/492707198.db2.gz LPODDFCSSDATME-HNNXBMFYSA-N -1 3 370.409 0.762 10 0 FCAEHM CCO[C@H](CS(=O)(=O)[N-][C@H]1CCN(c2cc(C)nn2C)C1=O)C1CC1 ZINC000625026635 492711846 /nfs/dbraw/zinc/71/18/46/492711846.db2.gz FTWNPQFLBKAJNZ-UONOGXRCSA-N -1 3 370.475 0.568 10 0 FCAEHM Cn1ccc(N2CCC[C@H]([N-]S(=O)(=O)[C@@H]3COC(C)(C)C3)C2=O)n1 ZINC000625025303 492712035 /nfs/dbraw/zinc/71/20/35/492712035.db2.gz VJQJNAXYCMTOQA-RYUDHWBXSA-N -1 3 356.448 0.402 10 0 FCAEHM COCc1ccccc1CS(=O)(=O)[N-]C[C@]1(OCCO)CCOC1 ZINC000657084893 492712126 /nfs/dbraw/zinc/71/21/26/492712126.db2.gz DAGZSFJMAYMIFF-MRXNPFEDSA-N -1 3 359.444 0.420 10 0 FCAEHM CN(C(=O)CN1CC(=O)[N-]C1=O)C1CCN(CCC(F)(F)F)CC1 ZINC000630006461 492713428 /nfs/dbraw/zinc/71/34/28/492713428.db2.gz OUHRLGABVQYDGI-UHFFFAOYSA-N -1 3 350.341 0.413 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@]23NC(=O)NC3=O)c(F)c1F ZINC000625034764 492713941 /nfs/dbraw/zinc/71/39/41/492713941.db2.gz PSXPNCHNXCYYEI-PSLIRLAXSA-N -1 3 373.381 0.930 10 0 FCAEHM CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]Cc1cc(C(N)=O)no1 ZINC000625057432 492716804 /nfs/dbraw/zinc/71/68/04/492716804.db2.gz BACNXPDYTJGDEK-CYBMUJFWSA-N -1 3 371.390 0.590 10 0 FCAEHM COCc1ccccc1CS(=O)(=O)[N-][C@H]1CS(=O)(=O)C[C@H]1OC ZINC000657102282 492721782 /nfs/dbraw/zinc/72/17/82/492721782.db2.gz YWPLCMKZWBJOMB-UONOGXRCSA-N -1 3 363.457 0.064 10 0 FCAEHM COCCNC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1 ZINC000625087624 492722022 /nfs/dbraw/zinc/72/20/22/492722022.db2.gz FLRADWMGIBHLCY-STQMWFEESA-N -1 3 350.481 0.651 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]C[C@@H](C)S(C)(=O)=O)c1ccc(F)cc1 ZINC000625084593 492722067 /nfs/dbraw/zinc/72/20/67/492722067.db2.gz GOTBECUPHYRJPQ-ZWNOBZJWSA-N -1 3 353.437 0.866 10 0 FCAEHM O=S(=O)([N-]C[C@]1(CCO)CCOC1)c1cccnc1OCC(F)F ZINC000625092398 492722650 /nfs/dbraw/zinc/72/26/50/492722650.db2.gz VSUPHUAWINSUMA-AWEZNQCLSA-N -1 3 366.386 0.793 10 0 FCAEHM CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-][C@@H](CO)c1cnn(C)c1 ZINC000625094654 492723013 /nfs/dbraw/zinc/72/30/13/492723013.db2.gz CFPGSYONTVKSPB-CVEARBPZSA-N -1 3 371.434 0.770 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CCO[C@@H]1CC1(F)F ZINC000657116855 492724006 /nfs/dbraw/zinc/72/40/06/492724006.db2.gz DQWGVIYRAIKXHV-LLVKDONJSA-N -1 3 355.384 0.793 10 0 FCAEHM Cn1ccnc1CN1CCC[C@@H]([N-]S(=O)(=O)[C@@H]2COC(C)(C)C2)C1=O ZINC000625120752 492726800 /nfs/dbraw/zinc/72/68/00/492726800.db2.gz HBQMZSYUPWWUQG-QWHCGFSZSA-N -1 3 370.475 0.398 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-]Cc2nnnn2CC2CC2)CCOCC1 ZINC000625126748 492727917 /nfs/dbraw/zinc/72/79/17/492727917.db2.gz FXGJRJKXYMCUKX-UHFFFAOYSA-N -1 3 359.452 0.088 10 0 FCAEHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@H]2COC[C@]2(C)C1 ZINC000657164043 492735162 /nfs/dbraw/zinc/73/51/62/492735162.db2.gz DHJIIPLKJZFNEH-WFASDCNBSA-N -1 3 374.484 0.642 10 0 FCAEHM CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-][C@H]1C(=O)NCC1(C)C ZINC000625286238 492751721 /nfs/dbraw/zinc/75/17/21/492751721.db2.gz STCPHNUYNLPJIX-KBPBESRZSA-N -1 3 358.435 0.827 10 0 FCAEHM Cc1cnn(C)c1NC(=O)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000657538016 492758910 /nfs/dbraw/zinc/75/89/10/492758910.db2.gz WFZTXHUTVMJQDE-UHFFFAOYSA-N -1 3 371.397 0.357 10 0 FCAEHM Cc1cnn(C)c1NC(=O)C(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000657615085 492766099 /nfs/dbraw/zinc/76/60/99/492766099.db2.gz BZPZPZFCFIRMGG-UHFFFAOYSA-N -1 3 371.397 0.357 10 0 FCAEHM CN1C2(CCC2)COC[C@]1(CO)C[N-]S(=O)(=O)[C@H]1COC(C)(C)C1 ZINC000625378149 492768734 /nfs/dbraw/zinc/76/87/34/492768734.db2.gz FZAXJXUHTRACDR-CZUORRHYSA-N -1 3 362.492 0.089 10 0 FCAEHM CN1C2(CCC2)COC[C@@]1(CO)C[N-]S(=O)(=O)CCC(F)(F)F ZINC000625377336 492769056 /nfs/dbraw/zinc/76/90/56/492769056.db2.gz YXDWNDBQBRWKDY-LBPRGKRZSA-N -1 3 360.398 0.474 10 0 FCAEHM CC(C)n1cnc(=NC(=O)C(=O)NCc2cccc(OCCN(C)C)c2)[n-]1 ZINC000651519478 492773593 /nfs/dbraw/zinc/77/35/93/492773593.db2.gz ROLKTAFVHYVSOV-UHFFFAOYSA-N -1 3 374.445 0.476 10 0 FCAEHM O=S(=O)([N-][C@H]1CCN(c2ccc3nncn3n2)C1)c1cccs1 ZINC000625417982 492777937 /nfs/dbraw/zinc/77/79/37/492777937.db2.gz OGITVVSMEDXQAG-JTQLQIEISA-N -1 3 350.429 0.743 10 0 FCAEHM O=S(=O)([N-][C@H]1CCN(c2ccc3nncn3n2)C1)c1ccccc1F ZINC000625419087 492778113 /nfs/dbraw/zinc/77/81/13/492778113.db2.gz XVSDCWHBMGZUBM-NSHDSACASA-N -1 3 362.390 0.821 10 0 FCAEHM O=S(=O)([N-][C@H]1CCN(c2ccc3nncn3n2)C1)c1cncc(F)c1 ZINC000625422195 492779354 /nfs/dbraw/zinc/77/93/54/492779354.db2.gz VCUXITPIQFPSIP-NSHDSACASA-N -1 3 363.378 0.216 10 0 FCAEHM CCN(CC)CCO[C@@H]1CCN(C(=O)C(=O)N=c2ncn(C(C)C)[n-]2)C1 ZINC000651597467 492789764 /nfs/dbraw/zinc/78/97/64/492789764.db2.gz OUBWUFVULNASJC-CQSZACIVSA-N -1 3 366.466 0.179 10 0 FCAEHM CCC[C@H](C)[C@H](CO)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000651795567 492825264 /nfs/dbraw/zinc/82/52/64/492825264.db2.gz GICAWIHMGVINJD-JQWIXIFHSA-N -1 3 350.462 0.561 10 0 FCAEHM CCC[C@H](C)[C@@H](CO)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000651795566 492825436 /nfs/dbraw/zinc/82/54/36/492825436.db2.gz GICAWIHMGVINJD-CMPLNLGQSA-N -1 3 350.462 0.561 10 0 FCAEHM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2C[C@@H](C(N)=O)C2)c1 ZINC000651837624 492830839 /nfs/dbraw/zinc/83/08/39/492830839.db2.gz LTOFFHREWSQWKY-OCAPTIKFSA-N -1 3 363.233 1.000 10 0 FCAEHM CCC(=O)N1CCN(C(=O)Nc2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)C1 ZINC000645003020 492837526 /nfs/dbraw/zinc/83/75/26/492837526.db2.gz NWQGUVADRWXLEJ-ZDUSSCGKSA-N -1 3 359.386 0.481 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]C[C@@H]2CN(Cc3ccncc3)CCO2)cn1C ZINC000625621041 492842834 /nfs/dbraw/zinc/84/28/34/492842834.db2.gz VKDOUNHITQXQOS-OAHLLOKOSA-N -1 3 365.459 0.303 10 0 FCAEHM CCN1C[C@H](S(=O)(=O)[N-]CC(=O)N(C)Cc2ccccc2)CC1=O ZINC000631775586 492851060 /nfs/dbraw/zinc/85/10/60/492851060.db2.gz AGLACOFSVZLVJA-CQSZACIVSA-N -1 3 353.444 0.185 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)[C@H]2CN(C)C(=O)c3ccccc32)nc1=N ZINC000651976963 492857131 /nfs/dbraw/zinc/85/71/31/492857131.db2.gz MRYMAVGYDKZCFF-KBPBESRZSA-N -1 3 354.414 0.761 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)CN2CCc3ccccc3C2=O)nc1=N ZINC000651976758 492857482 /nfs/dbraw/zinc/85/74/82/492857482.db2.gz BYYGJNVNZIXQIF-CQSZACIVSA-N -1 3 354.414 0.590 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@@H]2CCN(C3CCC3)C2=O)coc1C(=O)N(C)C ZINC000625692725 492862577 /nfs/dbraw/zinc/86/25/77/492862577.db2.gz SMXWZFJTWLJKBR-GFCCVEGCSA-N -1 3 369.443 0.722 10 0 FCAEHM O=S(=O)(C[C@H]1CNCCO1)[N-]C[C@H](OC1CCCC1)C(F)(F)F ZINC000631950681 492896949 /nfs/dbraw/zinc/89/69/49/492896949.db2.gz NSMRNIBUEDDPBD-NEPJUHHUSA-N -1 3 360.398 0.784 10 0 FCAEHM CC(C)COC[C@H](O)C[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000632002157 492907902 /nfs/dbraw/zinc/90/79/02/492907902.db2.gz NKVWULTUFQKOOC-SECBINFHSA-N -1 3 359.370 0.751 10 0 FCAEHM O=C1C[C@H](S(=O)(=O)[N-][C@H](CO)c2cc(F)ccc2F)CN1C1CC1 ZINC000632004268 492908545 /nfs/dbraw/zinc/90/85/45/492908545.db2.gz DUOVCMJBTMCRND-SMDDNHRTSA-N -1 3 360.382 0.681 10 0 FCAEHM Cc1nn2cc(Br)cnc2c1S(=O)(=O)[N-][C@@H](C)CCO ZINC000632015660 492911609 /nfs/dbraw/zinc/91/16/09/492911609.db2.gz SOLVVCRPBCXUNI-ZETCQYMHSA-N -1 3 363.237 0.849 10 0 FCAEHM Nc1nc(C(=O)[N-]c2cc(F)cc(F)c2F)nc(N2CCOCC2)n1 ZINC000652337133 492911708 /nfs/dbraw/zinc/91/17/08/492911708.db2.gz MRTWRXKWARMTNM-UHFFFAOYSA-N -1 3 354.292 0.790 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)C1(N2CCOCC2)CC1 ZINC000632017095 492911784 /nfs/dbraw/zinc/91/17/84/492911784.db2.gz NEHWHPIDRJHWLG-UHFFFAOYSA-N -1 3 359.473 0.007 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-][C@H](Cc1ccccc1)C(N)=O)C1CCOCC1 ZINC000645491864 492914001 /nfs/dbraw/zinc/91/40/01/492914001.db2.gz JCAXHWCSTPDFKZ-CVEARBPZSA-N -1 3 370.471 0.444 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-][C@@H](Cc1ccccc1)C(N)=O)C1CCOCC1 ZINC000645491867 492914172 /nfs/dbraw/zinc/91/41/72/492914172.db2.gz JCAXHWCSTPDFKZ-HOTGVXAUSA-N -1 3 370.471 0.444 10 0 FCAEHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@H]2CNc3ccccc3C2)cn1 ZINC000652380706 492920524 /nfs/dbraw/zinc/92/05/24/492920524.db2.gz HAWHLEVDGSYORA-GFCCVEGCSA-N -1 3 367.452 0.800 10 0 FCAEHM O=C1[C@H]([N-]S(=O)(=O)C[C@H]2CCC2(F)F)CCN1C1CCOCC1 ZINC000632062732 492921303 /nfs/dbraw/zinc/92/13/03/492921303.db2.gz IKJUHEZBQKUFTF-ZYHUDNBSSA-N -1 3 352.403 0.731 10 0 FCAEHM Cn1cc(N2CC[C@@H]([N-]S(=O)(=O)CCCC3CCOCC3)C2=O)cn1 ZINC000645548813 492924524 /nfs/dbraw/zinc/92/45/24/492924524.db2.gz RMGQLCLMUALEFD-OAHLLOKOSA-N -1 3 370.475 0.652 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]C[C@@H](C)N2CCN(C)CC2)coc1C(=O)N(C)C ZINC000645559669 492926090 /nfs/dbraw/zinc/92/60/90/492926090.db2.gz GWWIXVMCBCDZIG-GFCCVEGCSA-N -1 3 372.491 0.204 10 0 FCAEHM COc1ccc(-n2cc(C[N-]S(=O)(=O)CC3(N(C)C)CC3)nn2)cc1 ZINC000632088265 492926438 /nfs/dbraw/zinc/92/64/38/492926438.db2.gz WFSAEPJTMUBLQB-UHFFFAOYSA-N -1 3 365.459 0.790 10 0 FCAEHM Cn1ccc(N2CCC[C@@H]([N-]S(=O)(=O)CCC[C@@H]3CCOC3)C2=O)n1 ZINC000645567249 492928079 /nfs/dbraw/zinc/92/80/79/492928079.db2.gz LZRZWNJGZPQMFC-ZIAGYGMSSA-N -1 3 370.475 0.652 10 0 FCAEHM Cc1cc(N2CC[C@H]([N-]S(=O)(=O)CCC[C@H]3CCOC3)C2=O)n(C)n1 ZINC000645569402 492928430 /nfs/dbraw/zinc/92/84/30/492928430.db2.gz IZBBIBQQAOOILG-KBPBESRZSA-N -1 3 370.475 0.570 10 0 FCAEHM CN1CCO[C@@H](CS(=O)(=O)[N-][C@@H]2CCN(C3CCCCC3)C2=O)C1 ZINC000632112380 492931972 /nfs/dbraw/zinc/93/19/72/492931972.db2.gz AOILXSAFSAHULT-HUUCEWRRSA-N -1 3 359.492 0.170 10 0 FCAEHM CCS(=O)(=O)C[C@H](C)[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000632146892 492939408 /nfs/dbraw/zinc/93/94/08/492939408.db2.gz VSKVNTWLGREAIF-ZETCQYMHSA-N -1 3 363.383 0.540 10 0 FCAEHM Cn1cnnc1S(=O)(=O)[N-][C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000632161150 492941525 /nfs/dbraw/zinc/94/15/25/492941525.db2.gz SITSLJWLDLICFP-STQMWFEESA-N -1 3 357.386 0.817 10 0 FCAEHM Cn1cnnc1S(=O)(=O)[N-][C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000632161149 492942364 /nfs/dbraw/zinc/94/23/64/492942364.db2.gz SITSLJWLDLICFP-QWHCGFSZSA-N -1 3 357.386 0.817 10 0 FCAEHM Cn1cnnc1S(=O)(=O)[N-][C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000632169230 492942801 /nfs/dbraw/zinc/94/28/01/492942801.db2.gz MZLZEYQLOHVSEC-WCQYABFASA-N -1 3 369.834 0.719 10 0 FCAEHM Cn1cnnc1S(=O)(=O)[N-][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000632169228 492943453 /nfs/dbraw/zinc/94/34/53/492943453.db2.gz MZLZEYQLOHVSEC-AAEUAGOBSA-N -1 3 369.834 0.719 10 0 FCAEHM CNC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)C[C@H](OC)C1CCOCC1 ZINC000645631358 492951612 /nfs/dbraw/zinc/95/16/12/492951612.db2.gz PGWBNPVTFIRADG-KBPBESRZSA-N -1 3 350.481 0.508 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@@H](CCO)C2CCOCC2)coc1C(=O)N(C)C ZINC000645652159 492954592 /nfs/dbraw/zinc/95/45/92/492954592.db2.gz RVTOJPXERZOBFM-ZDUSSCGKSA-N -1 3 374.459 0.746 10 0 FCAEHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2coc(C(=O)N(C)C)c2C)[C@@H]1OC ZINC000645651622 492954937 /nfs/dbraw/zinc/95/49/37/492954937.db2.gz SUWYAPSYRNMNAX-WDMOLILDSA-N -1 3 360.432 0.761 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@H](C(N)=O)c1ccc(F)cc1)C1CCOCC1 ZINC000645653208 492954975 /nfs/dbraw/zinc/95/49/75/492954975.db2.gz KNGKJZDHKACNSH-CABCVRRESA-N -1 3 374.434 0.713 10 0 FCAEHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)C[C@H](OC)C2CCOCC2)[C@H]1OC ZINC000645651536 492955135 /nfs/dbraw/zinc/95/51/35/492955135.db2.gz OPDGVPVZOIUJIK-LJISPDSOSA-N -1 3 351.465 0.540 10 0 FCAEHM COCCO[C@H]1COCC[C@H]1[N-]S(=O)(=O)CC1(OC)CCCC1 ZINC000632238057 492955297 /nfs/dbraw/zinc/95/52/97/492955297.db2.gz VHVPLVDZWHBWOI-KGLIPLIRSA-N -1 3 351.465 0.686 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]C[C@@H](CO)[C@@H]2CCOC2)coc1C(=O)N(C)C ZINC000645690475 492960900 /nfs/dbraw/zinc/96/09/00/492960900.db2.gz KWFZNQZHCLRYKR-NEPJUHHUSA-N -1 3 360.432 0.213 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]C2(c3nc[nH]n3)CCC2)coc1C(=O)N(C)C ZINC000645690499 492960925 /nfs/dbraw/zinc/96/09/25/492960925.db2.gz LTQKLBZBJAJSNI-UHFFFAOYSA-N -1 3 353.404 0.766 10 0 FCAEHM Cn1ccc(S(=O)(=O)[N-]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)n1 ZINC000645712517 492964911 /nfs/dbraw/zinc/96/49/11/492964911.db2.gz RKLMTAMDALSSHH-UHFFFAOYSA-N -1 3 371.850 0.985 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)Cc1ncsc1Br)C(=O)NCCF ZINC000632309234 492970280 /nfs/dbraw/zinc/97/02/80/492970280.db2.gz YWHQLHCNJCQBHW-LURJTMIESA-N -1 3 374.257 0.799 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@@H]2C[C@@H]3CCCCN3C2=O)coc1C(=O)N(C)C ZINC000645752339 492970473 /nfs/dbraw/zinc/97/04/73/492970473.db2.gz SNKQTKSYKDKYLR-NWDGAFQWSA-N -1 3 369.443 0.722 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@@H]1C[C@@H]2CCCCN2C1=O)C1CCOCC1 ZINC000645752140 492970490 /nfs/dbraw/zinc/97/04/90/492970490.db2.gz IAMYWUWQZKXETE-RRFJBIMHSA-N -1 3 360.476 0.501 10 0 FCAEHM COCCOc1ccc(F)cc1S(=O)(=O)[N-]CCCc1ncn(C)n1 ZINC000645804360 492975909 /nfs/dbraw/zinc/97/59/09/492975909.db2.gz UPBPZTQKYZSUIY-UHFFFAOYSA-N -1 3 372.422 0.891 10 0 FCAEHM CO[C@H]1c2ccccc2C[C@H]1[N-]S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000632454692 493001494 /nfs/dbraw/zinc/00/14/94/493001494.db2.gz IUENQCOJDIAOMQ-UNEWFSDZSA-N -1 3 350.440 0.982 10 0 FCAEHM CCN1C[C@H](S(=O)(=O)[N-][C@H]2CCN(c3ccc(F)cc3)C2=O)CC1=O ZINC000632457928 493002078 /nfs/dbraw/zinc/00/20/78/493002078.db2.gz RMRMWUSIKOJYEF-KGLIPLIRSA-N -1 3 369.418 0.471 10 0 FCAEHM CCCN1C[C@H](C[N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)CC1=O ZINC000632473661 493004812 /nfs/dbraw/zinc/00/48/12/493004812.db2.gz JXZKEMJHPPYNGA-VIFPVBQESA-N -1 3 368.381 0.976 10 0 FCAEHM Cn1cc(C[C@H](CO)[N-]S(=O)(=O)c2cnccc2C(F)(F)F)cn1 ZINC000632471813 493004817 /nfs/dbraw/zinc/00/48/17/493004817.db2.gz SDFXNZWWMVVRKS-SNVBAGLBSA-N -1 3 364.349 0.716 10 0 FCAEHM CN(C)CCN1CCN(C(=O)c2nn(-c3ccccc3)cc2[O-])CC1=O ZINC000652734124 493011460 /nfs/dbraw/zinc/01/14/60/493011460.db2.gz ZPQOOGULRQSKFG-UHFFFAOYSA-N -1 3 357.414 0.424 10 0 FCAEHM CC1(C)[C@@H]([N-]S(=O)(=O)c2cccnc2C(F)(F)F)CS1(=O)=O ZINC000632495428 493011858 /nfs/dbraw/zinc/01/18/58/493011858.db2.gz RYVFNEXUDFIBKL-QMMMGPOBSA-N -1 3 358.363 0.954 10 0 FCAEHM CC1(C)[C@@H]([N-]S(=O)(=O)c2cnn3c2OCCC3)C[C@@H]1N1CCOCC1 ZINC000632503158 493015637 /nfs/dbraw/zinc/01/56/37/493015637.db2.gz WONJDBUAZICWKF-KBPBESRZSA-N -1 3 370.475 0.443 10 0 FCAEHM Cc1ncc(CNC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)c(N)n1 ZINC000646166781 493021681 /nfs/dbraw/zinc/02/16/81/493021681.db2.gz NYSPFPCWVKFPKB-VIFPVBQESA-N -1 3 367.406 0.490 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000652813568 493023331 /nfs/dbraw/zinc/02/33/31/493023331.db2.gz GUMCPXLERVRWDW-JYJNAYRXSA-N -1 3 372.425 0.086 10 0 FCAEHM O=C1C[C@H](S(=O)(=O)[N-][C@@H]2CCc3ccccc3NC2=O)CN1C1CC1 ZINC000632536891 493023581 /nfs/dbraw/zinc/02/35/81/493023581.db2.gz VXIXFJDKXYHEPV-DZGCQCFKSA-N -1 3 363.439 0.623 10 0 FCAEHM CN(C)c1cc(F)cc(NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)c1 ZINC000652874685 493031530 /nfs/dbraw/zinc/03/15/30/493031530.db2.gz RZXSQDOUNYTRKG-UHFFFAOYSA-N -1 3 355.395 0.542 10 0 FCAEHM CN1CCO[C@H](CS(=O)(=O)[N-][C@H](CO)c2ccc(F)cc2F)C1 ZINC000632573086 493031888 /nfs/dbraw/zinc/03/18/88/493031888.db2.gz QLVXUGOMCJPGCV-SMDDNHRTSA-N -1 3 350.387 0.248 10 0 FCAEHM CN1CCO[C@H](CS(=O)(=O)[N-]C[C@@]2(C)COc3ccccc3O2)C1 ZINC000632589781 493038311 /nfs/dbraw/zinc/03/83/11/493038311.db2.gz XUYFFEBPDKCJLK-BBRMVZONSA-N -1 3 356.444 0.467 10 0 FCAEHM CCN1C[C@@H](S(=O)(=O)[N-]C[C@@H](n2cccn2)C(F)(F)F)CC1=O ZINC000632589276 493038366 /nfs/dbraw/zinc/03/83/66/493038366.db2.gz JSZROVAWTJGHRF-VHSXEESVSA-N -1 3 354.354 0.527 10 0 FCAEHM COc1ccc(CN2CC[C@H]2C[N-]S(=O)(=O)c2nncn2C)cc1 ZINC000632594352 493040391 /nfs/dbraw/zinc/04/03/91/493040391.db2.gz IHWXYVMEKXXCQO-ZDUSSCGKSA-N -1 3 351.432 0.377 10 0 FCAEHM Cc1ccc(NC(=O)C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)c(Cl)c1C ZINC000646627036 493072127 /nfs/dbraw/zinc/07/21/27/493072127.db2.gz PKFONQZLVDZVQD-NSHDSACASA-N -1 3 364.789 0.658 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000627262330 493123046 /nfs/dbraw/zinc/12/30/46/493123046.db2.gz LXAGWFMLVGSDHT-VYDXJSESSA-N -1 3 373.453 0.664 10 0 FCAEHM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000646915659 493125395 /nfs/dbraw/zinc/12/53/95/493125395.db2.gz SFBOVUWBTSXOAJ-TZMCWYRMSA-N -1 3 354.414 0.653 10 0 FCAEHM CN(Cc1cnccn1)C(=O)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000681437334 493168656 /nfs/dbraw/zinc/16/86/56/493168656.db2.gz UDNZCAIEEHAWCY-AWEZNQCLSA-N -1 3 354.370 0.891 10 0 FCAEHM C[C@]1(c2cccc(NC(=O)c3cnc4n3CCOC4)c2)NC(=O)[N-]C1=O ZINC000666439569 493183285 /nfs/dbraw/zinc/18/32/85/493183285.db2.gz HGEJRVUPQNXWNY-QGZVFWFLSA-N -1 3 355.354 0.720 10 0 FCAEHM NCc1cc(=O)[n-]c(CNC(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)n1 ZINC000659454312 493184048 /nfs/dbraw/zinc/18/40/48/493184048.db2.gz DSPFEJSAISIZCN-CQSZACIVSA-N -1 3 370.413 0.636 10 0 FCAEHM O=C(NCCO[C@@H]1CC1(F)F)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1 ZINC000666513137 493195910 /nfs/dbraw/zinc/19/59/10/493195910.db2.gz MYJHPYIRYUKHOB-VXGBXAGGSA-N -1 3 368.340 0.983 10 0 FCAEHM CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)NCc1nc(CN)cc(=O)[n-]1 ZINC000659631515 493225510 /nfs/dbraw/zinc/22/55/10/493225510.db2.gz GHCMLODORUKBKO-CQSZACIVSA-N -1 3 372.429 0.140 10 0 FCAEHM CN(C(=O)NCc1nc(CN)cc(=O)[n-]1)[C@H]1CCN(c2ccccc2)C1=O ZINC000659631477 493225613 /nfs/dbraw/zinc/22/56/13/493225613.db2.gz FOSRLCGRRMKOSM-AWEZNQCLSA-N -1 3 370.413 0.588 10 0 FCAEHM C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659648813 493229407 /nfs/dbraw/zinc/22/94/07/493229407.db2.gz CJKMSHDBHGBIER-MJBXVCDLSA-N -1 3 353.463 0.840 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CC[C@H](CC(N)=O)C2)s1 ZINC000672704913 493237494 /nfs/dbraw/zinc/23/74/94/493237494.db2.gz ZCTBIOMKFZBTET-SECBINFHSA-N -1 3 360.461 0.063 10 0 FCAEHM NCc1cc(=O)[n-]c(CNC(=O)C(=O)NCc2ccc(C3CC3)cc2)n1 ZINC000659687148 493253708 /nfs/dbraw/zinc/25/37/08/493253708.db2.gz DQBDDVHAIWPAHW-UHFFFAOYSA-N -1 3 355.398 0.451 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2)c1ncn(C)n1 ZINC000672867426 493260131 /nfs/dbraw/zinc/26/01/31/493260131.db2.gz JODZHHGCMITRQP-VIFPVBQESA-N -1 3 356.429 0.184 10 0 FCAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3CCN=C4C3=NNN4C)cc2)n1 ZINC000667199856 493266050 /nfs/dbraw/zinc/26/60/50/493266050.db2.gz XKRUQXYOLFRZDC-CYBMUJFWSA-N -1 3 365.397 0.908 10 0 FCAEHM Cc1ccc([C@H]2CCN(C(=O)C(=O)NCc3nc(CN)cc(=O)[n-]3)C2)cc1 ZINC000659747783 493284379 /nfs/dbraw/zinc/28/43/79/493284379.db2.gz JPZRMXDUBJQCIY-AWEZNQCLSA-N -1 3 369.425 0.582 10 0 FCAEHM NC(=O)C1([N-]S(=O)(=O)c2cnccc2C(F)(F)F)CCOCC1 ZINC000682369376 493294576 /nfs/dbraw/zinc/29/45/76/493294576.db2.gz FZTLBQFTOHOKPI-UHFFFAOYSA-N -1 3 353.322 0.413 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)N1C[C@@H](O)CC(F)(F)C1 ZINC000682467506 493301761 /nfs/dbraw/zinc/30/17/61/493301761.db2.gz CQZVPQBBCGCIEE-VIFPVBQESA-N -1 3 369.415 0.438 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N1C[C@@H](O)CC(F)(F)C1 ZINC000682588229 493309832 /nfs/dbraw/zinc/30/98/32/493309832.db2.gz HZMMJOHQQRTZKD-JTQLQIEISA-N -1 3 353.325 0.721 10 0 FCAEHM COc1cc(C[N-]S(=O)(=O)c2c(C)nn(CCN(C)C)c2C)on1 ZINC000660010515 493314567 /nfs/dbraw/zinc/31/45/67/493314567.db2.gz BOQJCOXODRLQFM-UHFFFAOYSA-N -1 3 357.436 0.537 10 0 FCAEHM CS(=O)(=O)CCCS(=O)(=O)[N-][C@@H](CO)c1ccc(F)cc1F ZINC000660100312 493325432 /nfs/dbraw/zinc/32/54/32/493325432.db2.gz LKNFDJDAJMROEW-LBPRGKRZSA-N -1 3 357.400 0.352 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CCN(C3CC3)C(=O)C2)s1 ZINC000673971956 493379042 /nfs/dbraw/zinc/37/90/42/493379042.db2.gz XCDOQZDSFKFKJJ-UHFFFAOYSA-N -1 3 372.472 0.172 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](N3CCC3)[C@@H](F)C2)c(C)o1 ZINC000684185684 493400127 /nfs/dbraw/zinc/40/01/27/493400127.db2.gz LAKFAVZPIGIWBT-QWHCGFSZSA-N -1 3 359.423 0.754 10 0 FCAEHM NC(=O)c1ccccc1N1CC[C@H](NC(=O)NCc2ncccc2[O-])C1 ZINC000684264242 493402932 /nfs/dbraw/zinc/40/29/32/493402932.db2.gz CBUPIMFPJQBHAY-LBPRGKRZSA-N -1 3 355.398 0.964 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCc1cc(Cl)ccc1N1CCOCC1 ZINC000684986184 493441154 /nfs/dbraw/zinc/44/11/54/493441154.db2.gz QVVDSASEZKHGPN-LBPRGKRZSA-N -1 3 366.805 0.391 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)NCC[C@@H](COC)OC)s1 ZINC000661481338 493441471 /nfs/dbraw/zinc/44/14/71/493441471.db2.gz DROCFSWKMMUNKB-JTQLQIEISA-N -1 3 365.477 0.507 10 0 FCAEHM Cn1ncc2c1nc(CN1CCCc3c1cccc3S(N)(=O)=O)[n-]c2=O ZINC000674752675 493444495 /nfs/dbraw/zinc/44/44/95/493444495.db2.gz KVXWNEJWDDGKHX-UHFFFAOYSA-N -1 3 374.426 0.669 10 0 FCAEHM C[C@H]1COCC[C@H]1S(=O)(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000685298242 493473281 /nfs/dbraw/zinc/47/32/81/493473281.db2.gz SZEUKXBFMWLZKR-XJKSGUPXSA-N -1 3 368.455 0.905 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCc1nccc(N)n1 ZINC000675608150 493494431 /nfs/dbraw/zinc/49/44/31/493494431.db2.gz UFWHOYBVWLVXHM-VIFPVBQESA-N -1 3 353.379 0.181 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCc2ncccc2C1 ZINC000685794842 493515986 /nfs/dbraw/zinc/51/59/86/493515986.db2.gz JVTPZUVQBIXMMQ-UHFFFAOYSA-N -1 3 350.400 0.550 10 0 FCAEHM COc1ccc(C(=O)CCC(=O)NCc2nc(CN)cc(=O)[n-]2)cc1OC ZINC000662754527 493538447 /nfs/dbraw/zinc/53/84/47/493538447.db2.gz PXSDDBRTLDLLSH-UHFFFAOYSA-N -1 3 374.397 0.937 10 0 FCAEHM CCN1CC[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2OCCOC)C1=O ZINC000669983956 493538956 /nfs/dbraw/zinc/53/89/56/493538956.db2.gz JTJQLVILOBUKNI-GFCCVEGCSA-N -1 3 360.407 0.750 10 0 FCAEHM CCN1CC[C@@H](NC(=O)NCc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)C1=O ZINC000670119178 493546860 /nfs/dbraw/zinc/54/68/60/493546860.db2.gz HHFVIDQZZYIVNY-ACJLOTCBSA-N -1 3 373.413 0.161 10 0 FCAEHM CC1(C)CC(NS(=O)(=O)CCCS(=O)(=O)[N-]c2cn[nH]c2)C1 ZINC000662847661 493547041 /nfs/dbraw/zinc/54/70/41/493547041.db2.gz KBLLNUQSIWBGJJ-UHFFFAOYSA-N -1 3 350.466 0.650 10 0 FCAEHM CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)N2CC[C@@H](F)[C@H](N)C2)c1 ZINC000662944195 493558447 /nfs/dbraw/zinc/55/84/47/493558447.db2.gz IWRKKCRZKDEOPC-CHWSQXEVSA-N -1 3 372.422 0.528 10 0 FCAEHM CS(=O)(=O)[N-]c1cc(C(=O)NC[C@@H]2CN3CCN2CCC3)ccc1F ZINC000670407261 493561408 /nfs/dbraw/zinc/56/14/08/493561408.db2.gz NOWYTDJSUZPZDQ-CYBMUJFWSA-N -1 3 370.450 0.317 10 0 FCAEHM OC[C@@]1(CN=c2ncnc3[nH][n-]cc2-3)COCCN1Cc1ccccc1 ZINC000663232927 493579609 /nfs/dbraw/zinc/57/96/09/493579609.db2.gz RZBSEZYVNGIGRO-SFHVURJKSA-N -1 3 354.414 0.402 10 0 FCAEHM CN(C)c1noc(CS(=O)(=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)n1 ZINC000663296573 493583343 /nfs/dbraw/zinc/58/33/43/493583343.db2.gz VVZFMZHKCZTAMQ-UHFFFAOYSA-N -1 3 367.309 0.765 10 0 FCAEHM CCc1c(C(=O)Nc2ncccc2[O-])cnc2c1c(=O)n(C)c(=O)n2C ZINC000677203204 493589917 /nfs/dbraw/zinc/58/99/17/493589917.db2.gz ZQMSKYGXSKWYBK-UHFFFAOYSA-N -1 3 355.354 0.548 10 0 FCAEHM CN1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)C1 ZINC000678033983 493631343 /nfs/dbraw/zinc/63/13/43/493631343.db2.gz IUSQJODULPLQFQ-LLVKDONJSA-N -1 3 361.851 0.577 10 0 FCAEHM CSc1cc(NC(=O)C[N-]S(=O)(=O)c2cn(C)c(C)n2)ccn1 ZINC000678057126 493631828 /nfs/dbraw/zinc/63/18/28/493631828.db2.gz DLVKKQDKYGPMNG-UHFFFAOYSA-N -1 3 355.445 0.762 10 0 FCAEHM CCn1cc(S(=O)(=O)[N-][C@H]2CCN(C3CCOCC3)C2=O)nc1C ZINC000678069356 493632635 /nfs/dbraw/zinc/63/26/35/493632635.db2.gz YPOFAJNBMNDBCM-ZDUSSCGKSA-N -1 3 356.448 0.270 10 0 FCAEHM Cc1cc(S(=O)(=O)[N-]CCc2nnnn2C)sc1Br ZINC000678493519 493646639 /nfs/dbraw/zinc/64/66/39/493646639.db2.gz LXPLBMXDHWFORM-UHFFFAOYSA-N -1 3 366.266 0.864 10 0 FCAEHM O=S1(=O)[N-]C(CN2CCN([C@@H]3CCOC3)CC2)=Nc2ccccc21 ZINC000678625622 493652671 /nfs/dbraw/zinc/65/26/71/493652671.db2.gz DCLPHMMBWOFJJF-CYBMUJFWSA-N -1 3 350.444 0.415 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)N1CC[C@H](O)C(F)(F)C1 ZINC000664503214 493664260 /nfs/dbraw/zinc/66/42/60/493664260.db2.gz QVLFJBHIVCHRGO-VIFPVBQESA-N -1 3 369.415 0.438 10 0 FCAEHM CCn1cnc(S(=O)(=O)N2CCC[C@H]2C[C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000671698318 493703447 /nfs/dbraw/zinc/70/34/47/493703447.db2.gz CWUOJKGJJVRGRS-IINYFYTJSA-N -1 3 355.420 0.044 10 0 FCAEHM CN1CCC[C@@H](N2CCN(C(=O)NC[C@@H](C(=O)[O-])C3CCC3)CC2)C1 ZINC000665325973 493710033 /nfs/dbraw/zinc/71/00/33/493710033.db2.gz SAEUUXMQOPWCSM-HZPDHXFCSA-N -1 3 352.479 0.909 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)NCCOCC2CCC2)cn1C ZINC000680937631 493737876 /nfs/dbraw/zinc/73/78/76/493737876.db2.gz ZNENVORBJSYMCF-UHFFFAOYSA-N -1 3 358.464 0.330 10 0 FCAEHM O=C(c1ccccc1)N1CC(S(=O)(=O)N2CCc3c(=O)[n-]cnc3C2)C1 ZINC000681031576 493741577 /nfs/dbraw/zinc/74/15/77/493741577.db2.gz QQHZJXDWLVXUFU-UHFFFAOYSA-N -1 3 374.422 0.395 10 0 FCAEHM CCn1nccc1S(=O)(=O)[N-]c1ccc(C(=O)NCCN(C)C)cc1 ZINC000681130584 493746542 /nfs/dbraw/zinc/74/65/42/493746542.db2.gz YCDFTLQQEDTTOZ-UHFFFAOYSA-N -1 3 365.459 0.995 10 0 FCAEHM C[C@@H](O)[C@H]1CN(C(=O)CC[N-]S(=O)(=O)c2ccccc2F)CCO1 ZINC000412908684 533851569 /nfs/dbraw/zinc/85/15/69/533851569.db2.gz DGSBZMPTACYUHJ-DGCLKSJQSA-N -1 3 360.407 0.102 10 0 FCAEHM CCOc1ccc(CC(=O)N2CCO[C@H](CN(C)CC(=O)[O-])C2)cc1 ZINC000275707792 520933433 /nfs/dbraw/zinc/93/34/33/520933433.db2.gz NXQADENDDCBQGP-MRXNPFEDSA-N -1 3 350.415 0.872 10 0 FCAEHM CCCc1ncc(CNC(=O)C[N-]S(=O)(=O)c2c(C)noc2C)o1 ZINC000412398098 528764407 /nfs/dbraw/zinc/76/44/07/528764407.db2.gz XCNIQHXLWHVAQD-UHFFFAOYSA-N -1 3 356.404 0.827 10 0 FCAEHM COC[C@@](C)(O)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000452365294 536810305 /nfs/dbraw/zinc/81/03/05/536810305.db2.gz UKYNYXAKLYJOQF-KSSFIOAISA-N -1 3 350.415 0.901 10 0 FCAEHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](C(=O)OC)c2ccnn2C)c1 ZINC000592093597 546609851 /nfs/dbraw/zinc/60/98/51/546609851.db2.gz SWQPLLNVVWGCRX-NSHDSACASA-N -1 3 373.412 0.461 10 0 FCAEHM COc1cccc(S([O-])=CC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)c1 ZINC000592872935 546672188 /nfs/dbraw/zinc/67/21/88/546672188.db2.gz NFCUPBNQWMRSIA-YMXBGEKHSA-N -1 3 367.471 0.381 10 0 FCAEHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@H](CCF)C(=O)OC ZINC000593631330 546723364 /nfs/dbraw/zinc/72/33/64/546723364.db2.gz ATSIPAZWJRXFDB-SNVBAGLBSA-N -1 3 351.327 0.792 10 0 FCAEHM COC(=O)[C@H](CCF)[N-]S(=O)(=O)c1ccc(CCNC(C)=O)s1 ZINC000593632575 546724296 /nfs/dbraw/zinc/72/42/96/546724296.db2.gz LAXHBNYYIZARIK-NSHDSACASA-N -1 3 366.436 0.606 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@H](CCF)C(=O)OC ZINC000593634035 546724585 /nfs/dbraw/zinc/72/45/85/546724585.db2.gz JGMFIJUNTXPORJ-SECBINFHSA-N -1 3 351.352 0.863 10 0 FCAEHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593713398 546744437 /nfs/dbraw/zinc/74/44/37/546744437.db2.gz VWYVMWJDWUQEQE-KLDKYJJHSA-N -1 3 356.425 0.595 10 0 FCAEHM COC(=O)[C@H](CCF)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000593800999 546752641 /nfs/dbraw/zinc/75/26/41/546752641.db2.gz NXPOBGYFAFRIFR-ONGXEEELSA-N -1 3 364.370 0.510 10 0 FCAEHM CCOC(=O)[C@@H](CC1(OC)CCC1)NC(=O)c1cn(C)c(=O)[n-]c1=O ZINC000593848783 546757063 /nfs/dbraw/zinc/75/70/63/546757063.db2.gz DCUMKWQUIHSJDK-LLVKDONJSA-N -1 3 353.375 0.107 10 0 FCAEHM COC(=O)c1ncccc1S(=O)(=O)[N-]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594471287 546791957 /nfs/dbraw/zinc/79/19/57/546791957.db2.gz AKCMLLBSDZKEMJ-RWMBFGLXSA-N -1 3 371.459 0.644 10 0 FCAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C[C@@](C)(CO)OC ZINC000594485022 546797344 /nfs/dbraw/zinc/79/73/44/546797344.db2.gz OVGUNIGGLQGTSK-SCZZXKLOSA-N -1 3 351.343 0.187 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1)C(=O)OC(C)(C)C ZINC000594793507 546825477 /nfs/dbraw/zinc/82/54/77/546825477.db2.gz YJHPHMKIRQWCBA-GHMZBOCLSA-N -1 3 355.478 0.461 10 0 FCAEHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]C[C@H](OC)[C@@H]1CCOC1 ZINC000594805082 546828206 /nfs/dbraw/zinc/82/82/06/546828206.db2.gz SQYCHXMYWJJJQV-MFKMUULPSA-N -1 3 361.391 0.942 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@@H](CCSC)C(=O)N(C)C)[C@H]1CCOC1 ZINC000594778355 546832849 /nfs/dbraw/zinc/83/28/49/546832849.db2.gz IGVZNJRWLPSXFO-RWMBFGLXSA-N -1 3 368.521 0.167 10 0 FCAEHM COC(=O)[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)CCCOCc1ccccc1 ZINC000594823815 546837560 /nfs/dbraw/zinc/83/75/60/546837560.db2.gz YHHAFXUEEFVYFC-LSDHHAIUSA-N -1 3 357.428 0.843 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-][C@@H](C)C(=O)NCCc2ccccc2)c1 ZINC000451937964 546927341 /nfs/dbraw/zinc/92/73/41/546927341.db2.gz NHRWWERMCLGASU-ZDUSSCGKSA-N -1 3 350.444 0.929 10 0 FCAEHM CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2nc(=N)n(C)[n-]2)cc1 ZINC000549740942 547070670 /nfs/dbraw/zinc/07/06/70/547070670.db2.gz QEXBGXDVWYNSMX-LBPRGKRZSA-N -1 3 364.431 0.113 10 0 FCAEHM NC(=O)[C@H](CO)[N-]S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000553545154 547287237 /nfs/dbraw/zinc/28/72/37/547287237.db2.gz FAVGHCDANWYCIL-VIFPVBQESA-N -1 3 374.216 0.122 10 0 FCAEHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)s1 ZINC000553837664 547311147 /nfs/dbraw/zinc/31/11/47/547311147.db2.gz JBNSUSKPGGHHME-FXBDTBDDSA-N -1 3 358.445 0.389 10 0 FCAEHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](C)C2(S(C)(=O)=O)CC2)s1 ZINC000553875241 547312979 /nfs/dbraw/zinc/31/29/79/547312979.db2.gz FWJAKCKVUXSHTL-SSDOTTSWSA-N -1 3 367.474 0.346 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N(C)C[C@H](O)C(F)(F)F ZINC000180790683 547405059 /nfs/dbraw/zinc/40/50/59/547405059.db2.gz CCQNSUPOWAOEPG-KWQFWETISA-N -1 3 372.340 0.874 10 0 FCAEHM O=C(CN1CCCNC1=O)N[N-]C(=O)c1ccccc1Br ZINC000078938910 674440472 /nfs/dbraw/zinc/44/04/72/674440472.db2.gz WFPVZQKOOCOWMF-UHFFFAOYSA-N -1 3 355.192 0.625 10 0 FCAEHM COC1CCN(CC[N-]S(=O)(=O)c2c(C)nn(C)c2Cl)CC1 ZINC000080284892 674457364 /nfs/dbraw/zinc/45/73/64/674457364.db2.gz FOKUTHYXCRMPJK-UHFFFAOYSA-N -1 3 350.872 0.771 10 0 FCAEHM CN(Cc1ccns1)C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000898617839 665890658 /nfs/dbraw/zinc/89/06/58/665890658.db2.gz MJDNLYIOPFIHOG-UHFFFAOYSA-N -1 3 359.205 0.827 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)[C@@H](C)OC[C@H]3CCCO3)CC2)n1 ZINC000899501447 665943420 /nfs/dbraw/zinc/94/34/20/665943420.db2.gz VWRFJXFVXVQSOL-ZIAGYGMSSA-N -1 3 350.419 0.723 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CC[C@H]([C@@H]2CCCO2)C1 ZINC000899623575 665948118 /nfs/dbraw/zinc/94/81/18/665948118.db2.gz RKWCAMGDHNATES-ONGXEEELSA-N -1 3 372.219 0.739 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CCCN1CCCS1(=O)=O ZINC000725840711 663959151 /nfs/dbraw/zinc/95/91/51/663959151.db2.gz OBSBAFWEPQMRTP-UHFFFAOYSA-N -1 3 370.884 0.086 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]C[C@@]2(O)CCSC2)c(Br)n1 ZINC000866909921 665147482 /nfs/dbraw/zinc/14/74/82/665147482.db2.gz WPORTZMNPARBJM-VIFPVBQESA-N -1 3 356.267 0.329 10 0 FCAEHM CCOC(=O)[C@H](C)C[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000866965790 665252061 /nfs/dbraw/zinc/25/20/61/665252061.db2.gz NZFIKFVHOXUJND-SSDOTTSWSA-N -1 3 354.226 0.660 10 0 FCAEHM CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000729354125 665294679 /nfs/dbraw/zinc/29/46/79/665294679.db2.gz KMCAZNAELPDPPE-ZDUSSCGKSA-N -1 3 371.434 0.863 10 0 FCAEHM CCOC(=O)[C@@H]1CCCN(CC(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)C1 ZINC000911850100 666378540 /nfs/dbraw/zinc/37/85/40/666378540.db2.gz ZJCWMKQCDIKCFY-CHWSQXEVSA-N -1 3 350.419 0.706 10 0 FCAEHM CS(=O)(=O)CC1([N-]C(=O)C(F)(F)Oc2ccc(C=O)cc2)COC1 ZINC000912257346 666397167 /nfs/dbraw/zinc/39/71/67/666397167.db2.gz CGIBGMWYYHDYQG-UHFFFAOYSA-N -1 3 363.338 0.401 10 0 FCAEHM C[C@]1(NC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)CN2CCC1CC2 ZINC000912377904 666435980 /nfs/dbraw/zinc/43/59/80/666435980.db2.gz BXYFMMPDVCJGKH-INIZCTEOSA-N -1 3 373.425 0.844 10 0 FCAEHM Cc1cc(S(=O)(=O)[N-]C[C@@]2(CO)COCCN2C)sc1Cl ZINC000921338874 666436560 /nfs/dbraw/zinc/43/65/60/666436560.db2.gz RRYDYLJFHDZWPZ-GFCCVEGCSA-N -1 3 354.881 0.681 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@@H]2CCCN3CCSC[C@H]23)nc1Cl ZINC000921323512 666438438 /nfs/dbraw/zinc/43/84/38/666438438.db2.gz IWWIMDIEBYALES-NXEZZACHSA-N -1 3 350.897 0.932 10 0 FCAEHM COc1cc[n-]c(=NNC(=O)CCNS(=O)(=O)c2ccc(C)cc2)n1 ZINC000046363524 666571734 /nfs/dbraw/zinc/57/17/34/666571734.db2.gz UNUXAYCGUIWZED-UHFFFAOYSA-N -1 3 365.415 0.605 10 0 FCAEHM COc1ncc(S(=O)(=O)[N-][C@H]2CCCN(c3cnn(C)c3)C2)s1 ZINC000914185690 666721085 /nfs/dbraw/zinc/72/10/85/666721085.db2.gz OBWLGWDPVLOKNU-JTQLQIEISA-N -1 3 357.461 0.833 10 0 FCAEHM O=S(=O)([N-]C[C@@H]1CN2CCN1CCC2)c1cnccc1C(F)(F)F ZINC000917061642 667050731 /nfs/dbraw/zinc/05/07/31/667050731.db2.gz NWZCCXGHNNSKEX-LLVKDONJSA-N -1 3 364.393 0.769 10 0 FCAEHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC(N3CCOCC3)C2)c1 ZINC000918308101 667110041 /nfs/dbraw/zinc/11/00/41/667110041.db2.gz NYXOVWYBNUMYGP-UHFFFAOYSA-N -1 3 372.418 0.754 10 0 FCAEHM Cc1cnc(Cl)c(S(=O)(=O)[N-]CC23COCCN2CCOC3)c1 ZINC000918368737 667115662 /nfs/dbraw/zinc/11/56/62/667115662.db2.gz LVVREIFTDMNCGH-UHFFFAOYSA-N -1 3 361.851 0.423 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cnn2c1OCC(C)(C)C2)[C@@H](O)C(F)(F)F ZINC000918822426 667137083 /nfs/dbraw/zinc/13/70/83/667137083.db2.gz RAIARUISQMBXBU-VXNVDRBHSA-N -1 3 357.354 0.892 10 0 FCAEHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](CO)CN2CCOCC2)cc1F ZINC000918980503 667145855 /nfs/dbraw/zinc/14/58/55/667145855.db2.gz NBYVXOOVVJRCET-LLVKDONJSA-N -1 3 350.387 0.245 10 0 FCAEHM O=S(=O)([N-][C@@H](CO)CN1CCOCC1)c1cnccc1C(F)(F)F ZINC000918982341 667146331 /nfs/dbraw/zinc/14/63/31/667146331.db2.gz VVUGMBUZWHWTPL-SNVBAGLBSA-N -1 3 369.365 0.072 10 0 FCAEHM Cc1cc(S(=O)(=O)[N-][C@H](CO)CN2CCOCC2)sc1Cl ZINC000918982132 667146336 /nfs/dbraw/zinc/14/63/36/667146336.db2.gz TYLCUXJDKYCWNC-JTQLQIEISA-N -1 3 354.881 0.681 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F)[C@@H]1CN(C)CCN1C ZINC000919973610 667210060 /nfs/dbraw/zinc/21/00/60/667210060.db2.gz BZSAGINZMYFABC-UWVGGRQHSA-N -1 3 369.413 0.352 10 0 FCAEHM CCN(C(=O)C[N-]S(=O)(=O)C[C@H]1CN(C)CCO1)c1ccccc1 ZINC000921004148 667262893 /nfs/dbraw/zinc/26/28/93/667262893.db2.gz XRPDREWGLCEEGE-OAHLLOKOSA-N -1 3 355.460 0.290 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@H]1CON(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000921753213 667475276 /nfs/dbraw/zinc/47/52/76/667475276.db2.gz ZNNRGCGLUFPVRS-VXGBXAGGSA-N -1 3 350.437 0.882 10 0 FCAEHM CNC(=O)c1cc(S(=O)(=O)[N-][C@@H]([C@@H]2CCOC2)C(F)(F)F)cn1C ZINC000921863576 667523726 /nfs/dbraw/zinc/52/37/26/667523726.db2.gz XLEKQYYJWWWUGI-KCJUWKMLSA-N -1 3 369.365 0.630 10 0 FCAEHM COC(=O)c1coc(S(=O)(=O)[N-]C[C@@H]2CCN2C2CCOCC2)c1 ZINC000921907220 667538732 /nfs/dbraw/zinc/53/87/32/667538732.db2.gz DUVCRKLGIADLIU-ZDUSSCGKSA-N -1 3 358.416 0.598 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-][C@H]2C[C@H](CO)C2)c1I ZINC000922062433 667580117 /nfs/dbraw/zinc/58/01/17/667580117.db2.gz ZKVJYJOPRPVFNS-LJGSYFOKSA-N -1 3 371.200 0.074 10 0 FCAEHM C[C@H]1Cn2nccc2N(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC000922201909 667616856 /nfs/dbraw/zinc/61/68/56/667616856.db2.gz MWBJCPXXKYVJLM-MRVPVSSYSA-N -1 3 368.191 0.591 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)OC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000922525080 667662159 /nfs/dbraw/zinc/66/21/59/667662159.db2.gz LHZYSBVNTAGBMW-UWVGGRQHSA-N -1 3 363.354 0.595 10 0 FCAEHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@]2(C(=O)OC)CCOC2)c1 ZINC000756213917 667666260 /nfs/dbraw/zinc/66/62/60/667666260.db2.gz IUAAAROBUMMKLA-CQSZACIVSA-N -1 3 361.347 0.223 10 0 FCAEHM C[C@H](CC(=O)N[C@H](C)[C@H](C)CO)[N-]S(=O)(=O)c1cccnc1Cl ZINC000757088816 667696977 /nfs/dbraw/zinc/69/69/77/667696977.db2.gz HHRPDBSUAURTCE-GMTAPVOTSA-N -1 3 363.867 0.925 10 0 FCAEHM COC(=O)[C@H]1CSCCN(CC(=O)[N-]C(=O)c2ccc(OC)cc2)C1 ZINC000839676571 667720881 /nfs/dbraw/zinc/72/08/81/667720881.db2.gz MYDBDRRTSSLJRS-CYBMUJFWSA-N -1 3 366.439 0.790 10 0 FCAEHM O=C([N-]OCC(F)F)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000760146939 667838074 /nfs/dbraw/zinc/83/80/74/667838074.db2.gz LNNDCZUEQKNBGW-HBNTYKKESA-N -1 3 368.402 0.409 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-][C@@H]2CCOC2)c1I ZINC000867003141 667975914 /nfs/dbraw/zinc/97/59/14/667975914.db2.gz FYJCWXYNOWXGFL-ZCFIWIBFSA-N -1 3 357.173 0.092 10 0 FCAEHM CC(C)COC(=O)N1CCN(C(=O)c2cc(=O)[n-]c(N(C)C)n2)CC1 ZINC000765280217 668004500 /nfs/dbraw/zinc/00/45/00/668004500.db2.gz IVYWUMMLXRWSPR-UHFFFAOYSA-N -1 3 351.407 0.799 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCSC[C@@H]2CCO)ccc1F ZINC000769007198 668109818 /nfs/dbraw/zinc/10/98/18/668109818.db2.gz XCASGAFQTDEXBX-NSHDSACASA-N -1 3 362.448 0.674 10 0 FCAEHM CCCCCCn1cc(S(=O)(=O)[N-][C@H]2CCCN(C)C2)c(=O)[nH]c1=O ZINC000769638858 668145290 /nfs/dbraw/zinc/14/52/90/668145290.db2.gz ONUYQJMLHHYILX-ZDUSSCGKSA-N -1 3 372.491 0.902 10 0 FCAEHM O=C(COC(=O)C1(N2CCOCC2)CCC1)[N-]C(=O)c1cccs1 ZINC000769825151 668155733 /nfs/dbraw/zinc/15/57/33/668155733.db2.gz LOQXLFIRLLUNSH-UHFFFAOYSA-N -1 3 352.412 0.803 10 0 FCAEHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]Cc2cc(C(N)=O)co2)c1 ZINC000778107357 668350661 /nfs/dbraw/zinc/35/06/61/668350661.db2.gz IUIUMTKQYSYTQP-UHFFFAOYSA-N -1 3 356.331 0.783 10 0 FCAEHM Cc1cc(=O)[n-]c(CN2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)n1 ZINC000779623226 668431604 /nfs/dbraw/zinc/43/16/04/668431604.db2.gz ZYLQRAATOBPDEN-CYBMUJFWSA-N -1 3 356.448 0.117 10 0 FCAEHM COCCS(=O)(=O)CC(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000782914781 668588240 /nfs/dbraw/zinc/58/82/40/668588240.db2.gz XSUHCJOWPOCGDT-UHFFFAOYSA-N -1 3 356.356 0.547 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NCCCn2ccnn2)ccc1F ZINC000784377558 668653773 /nfs/dbraw/zinc/65/37/73/668653773.db2.gz DODLGGPBCZBYOW-UHFFFAOYSA-N -1 3 369.422 0.924 10 0 FCAEHM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000785310011 668705088 /nfs/dbraw/zinc/70/50/88/668705088.db2.gz QWUAZVOAJGEDEB-BDAKNGLRSA-N -1 3 363.823 0.470 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](C)N2CCCCC2=O)ccc1F ZINC000787972940 668817859 /nfs/dbraw/zinc/81/78/59/668817859.db2.gz IOZVAYVFQQGJJQ-LLVKDONJSA-N -1 3 371.434 0.865 10 0 FCAEHM O=C(OCCC1CS(=O)(=O)C1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000790645823 668880002 /nfs/dbraw/zinc/88/00/02/668880002.db2.gz GQDAWUVAGQQZRB-CQSZACIVSA-N -1 3 367.423 0.975 10 0 FCAEHM CS(=O)(=O)CCn1cccc(NC(=O)NCc2ncccc2[O-])c1=O ZINC000791852450 668895174 /nfs/dbraw/zinc/89/51/74/668895174.db2.gz WPPZMKVJGSSWAF-UHFFFAOYSA-N -1 3 366.399 0.315 10 0 FCAEHM O=C([N-]C[C@H]1CCCN(C(=O)[C@H](O)C2CCOCC2)C1)C(F)(F)F ZINC000793470416 668929270 /nfs/dbraw/zinc/92/92/70/668929270.db2.gz XZGKTUGNZJNIBY-ZYHUDNBSSA-N -1 3 352.353 0.691 10 0 FCAEHM CC(C)OCCS(=O)(=O)[N-]CC(=O)OCC(=O)[C@H]1Cc2ccccc21 ZINC000795532356 669041634 /nfs/dbraw/zinc/04/16/34/669041634.db2.gz DWKBLYMSTPYMTJ-HNNXBMFYSA-N -1 3 369.439 0.783 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)o1 ZINC000511326230 669341272 /nfs/dbraw/zinc/34/12/72/669341272.db2.gz NDHVATXFTQYBRX-NWDGAFQWSA-N -1 3 350.462 0.974 10 0 FCAEHM Cn1cnc(CCC[N-]S(=O)(=O)c2ccc(Cl)c3nonc32)n1 ZINC000827924642 669602631 /nfs/dbraw/zinc/60/26/31/669602631.db2.gz HZQNNMPNICNJAI-UHFFFAOYSA-N -1 3 356.795 0.916 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-]Cc2ccno2)c1I ZINC000867060406 669683762 /nfs/dbraw/zinc/68/37/62/669683762.db2.gz LXMAYDZZLCPWKT-UHFFFAOYSA-N -1 3 368.156 0.491 10 0 FCAEHM Cn1c2cc([O-])c(NC(=S)NCCN3CCOCC3)cc2n(C)c1=O ZINC000811721224 669765380 /nfs/dbraw/zinc/76/53/80/669765380.db2.gz UJIUSESPZBMPGS-UHFFFAOYSA-N -1 3 365.459 0.201 10 0 FCAEHM CN1C[C@H](NC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)CCC1=O ZINC000811883489 669777653 /nfs/dbraw/zinc/77/76/53/669777653.db2.gz SWIJMUNWLQBWMA-GHMZBOCLSA-N -1 3 364.368 0.707 10 0 FCAEHM COC(=O)[C@@H](O)C(C)(C)[N-]S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC000814391124 669882802 /nfs/dbraw/zinc/88/28/02/669882802.db2.gz TZQMXNNLWHBQCE-SNVBAGLBSA-N -1 3 363.779 0.467 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C1CC1)[C@]1(CO)CCCO1 ZINC000815108613 669900017 /nfs/dbraw/zinc/90/00/17/669900017.db2.gz KDSWGLLXCAWSQB-TZMCWYRMSA-N -1 3 363.867 0.980 10 0 FCAEHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cn(C)c(Cl)n2)[C@@H]1n1cccn1 ZINC000815110160 669900405 /nfs/dbraw/zinc/90/04/05/669900405.db2.gz GATRXKNEJJWZFY-FOGDFJRCSA-N -1 3 359.839 0.967 10 0 FCAEHM CCN1CC[C@H]2OCCN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)[C@H]2C1 ZINC000818038829 670057811 /nfs/dbraw/zinc/05/78/11/670057811.db2.gz KQPITCNKYUMJLR-WDEREUQCSA-N -1 3 351.369 0.765 10 0 FCAEHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCNC(=O)CC2)c1 ZINC000841563051 670595280 /nfs/dbraw/zinc/59/52/80/670595280.db2.gz OMGHMKOITIGOGV-NSHDSACASA-N -1 3 358.391 0.949 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C)[C@@H](C)N1CCOCC1 ZINC000104757879 670679145 /nfs/dbraw/zinc/67/91/45/670679145.db2.gz OBFBXSQNLNIMSJ-MWLCHTKSSA-N -1 3 350.872 0.769 10 0 FCAEHM CC[S@](C)(=O)=NS(=O)(=O)[N-]Cc1cccc(N2CCOCC2)c1 ZINC000867303935 670730659 /nfs/dbraw/zinc/73/06/59/670730659.db2.gz HIJUDHQGTLTDSS-QFIPXVFZSA-N -1 3 361.489 0.975 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]CCn2cc(Br)ccc2=O)nn1 ZINC000867319104 670775569 /nfs/dbraw/zinc/77/55/69/670775569.db2.gz IMRSEEQFOCOYOV-UHFFFAOYSA-N -1 3 373.232 0.688 10 0 FCAEHM Cn1nccc1[C@@H]1COCCN1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000845125250 670967450 /nfs/dbraw/zinc/96/74/50/670967450.db2.gz KUEIZSSVGMIQST-VIFPVBQESA-N -1 3 359.312 0.840 10 0 FCAEHM COC[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000846434862 671109378 /nfs/dbraw/zinc/10/93/78/671109378.db2.gz PSNDWVVLUCPDSP-QWHCGFSZSA-N -1 3 372.418 0.488 10 0 FCAEHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000848512647 671282931 /nfs/dbraw/zinc/28/29/31/671282931.db2.gz JLKAVDKRXOLMDC-SNVBAGLBSA-N -1 3 372.374 0.874 10 0 FCAEHM S=C(NCCN1CCOCC1)NN=c1ncc(Br)c[n-]1 ZINC000848653656 671288519 /nfs/dbraw/zinc/28/85/19/671288519.db2.gz QNTJLFJIEAXGBL-UHFFFAOYSA-N -1 3 361.269 0.362 10 0 FCAEHM COC[C@@H](CC[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC)OC ZINC000849416091 671340319 /nfs/dbraw/zinc/34/03/19/671340319.db2.gz YHSUCTQNXDWSND-SECBINFHSA-N -1 3 366.823 0.851 10 0 FCAEHM O=S(=O)([N-]C[C@]1(OCCO)CCOC1)c1ccc(Cl)nc1Cl ZINC000849426899 671341966 /nfs/dbraw/zinc/34/19/66/671341966.db2.gz CVZSKJDNYIHEHR-GFCCVEGCSA-N -1 3 371.242 0.835 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CCN1C[C@@H](C)OC[C@@H]1C ZINC000849429694 671342437 /nfs/dbraw/zinc/34/24/37/671342437.db2.gz UMDWXBCFQAEICC-VHSXEESVSA-N -1 3 350.872 0.769 10 0 FCAEHM COC(=O)CC[C@H](C(=O)OC)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000852061106 671484282 /nfs/dbraw/zinc/48/42/82/671484282.db2.gz KDUXXCBGQPECBL-GHMZBOCLSA-N -1 3 368.352 0.872 10 0 FCAEHM COC(=O)CC[C@@H](C(=O)OC)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000852061107 671484347 /nfs/dbraw/zinc/48/43/47/671484347.db2.gz KDUXXCBGQPECBL-MNOVXSKESA-N -1 3 368.352 0.872 10 0 FCAEHM N[C@@H]1CN(C(=O)CCn2c(=O)c3ccccc3[n-]c2=S)CC[C@H]1F ZINC000852870240 671528593 /nfs/dbraw/zinc/52/85/93/671528593.db2.gz QGKHYKVQCDHWGO-VXGBXAGGSA-N -1 3 350.419 0.973 10 0 FCAEHM CO[C@H](C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)[C@H]1CCOC1 ZINC000854528024 671582289 /nfs/dbraw/zinc/58/22/89/671582289.db2.gz XEQXQKZLBKMGMC-WOPDTQHZSA-N -1 3 352.353 0.955 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](COC)C2CCOCC2)ccc1F ZINC000855289336 671635407 /nfs/dbraw/zinc/63/54/07/671635407.db2.gz LVALPLUUAPVVNH-AWEZNQCLSA-N -1 3 374.434 0.905 10 0 FCAEHM CCN(CCO)CC[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000859112006 671794196 /nfs/dbraw/zinc/79/41/96/671794196.db2.gz YYKSILIWYJHKEW-UHFFFAOYSA-N -1 3 370.244 0.576 10 0 FCAEHM CCO[C@@H](CS(=O)(=O)[N-]N1C(=O)NC2(CCCCC2)C1=O)C1CC1 ZINC000859126412 671795287 /nfs/dbraw/zinc/79/52/87/671795287.db2.gz FSAWDNMPRIBWEY-LBPRGKRZSA-N -1 3 359.448 0.891 10 0 FCAEHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]C[C@H](O)[C@@H]1CCCO1 ZINC000859284413 671809110 /nfs/dbraw/zinc/80/91/10/671809110.db2.gz NMUPDGGIUZIAAD-IUCAKERBSA-N -1 3 364.807 0.340 10 0 FCAEHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]C[C@@H](O)[C@@H]2CCCO2)c1 ZINC000859287332 671809994 /nfs/dbraw/zinc/80/99/94/671809994.db2.gz MSPYTJCAGAQJAW-NEPJUHHUSA-N -1 3 361.391 0.739 10 0 FCAEHM COC(=O)C1=CC[C@@H]([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)C1 ZINC000859287087 671810108 /nfs/dbraw/zinc/81/01/08/671810108.db2.gz LCAXUZRGQMNGOB-MRVPVSSYSA-N -1 3 356.331 0.800 10 0 FCAEHM COC(=O)[C@@H](C[C@@H]1CCCOC1)[N-]S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000859342034 671817725 /nfs/dbraw/zinc/81/77/25/671817725.db2.gz MKZURMBFGIQGHN-VHSXEESVSA-N -1 3 365.839 0.710 10 0 FCAEHM CC(C)OCCS(=O)(=O)[N-]CC(=O)OCc1cc(CO)ccc1F ZINC000859579220 671837716 /nfs/dbraw/zinc/83/77/16/671837716.db2.gz IETMLPUKSBYBTO-UHFFFAOYSA-N -1 3 363.407 0.706 10 0 FCAEHM Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(F)(F)F)nc1=O ZINC000860049817 671865614 /nfs/dbraw/zinc/86/56/14/671865614.db2.gz IUIPHIZEZBMYBZ-ZDCRXTMVSA-N -1 3 359.352 0.340 10 0 FCAEHM Cn1[n-]c(CN2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(F)(F)F)nc1=O ZINC000860049814 671865714 /nfs/dbraw/zinc/86/57/14/671865714.db2.gz IUIPHIZEZBMYBZ-MMWGEVLESA-N -1 3 359.352 0.340 10 0 FCAEHM CCOC(=O)C1(C(=O)OCC(=O)[N-]C(=O)c2cccs2)CCOCC1 ZINC000803832102 675974242 /nfs/dbraw/zinc/97/42/42/675974242.db2.gz RHNXYXWOBHBJAZ-UHFFFAOYSA-N -1 3 369.395 0.908 10 0 FCAEHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2COCCC2=O)ccc1F ZINC000862930796 672087731 /nfs/dbraw/zinc/08/77/31/672087731.db2.gz BMBZWSZDRDZYAP-LBPRGKRZSA-N -1 3 372.418 0.990 10 0 FCAEHM O=C(N[C@@H]1COCCC1=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000862933792 672087988 /nfs/dbraw/zinc/08/79/88/672087988.db2.gz LDCGREBGXJCSTI-SNVBAGLBSA-N -1 3 374.365 0.493 10 0 FCAEHM CS(C)(=O)=NS(=O)(=O)[N-]Cc1ccc(CN2CCOCC2)cc1 ZINC000866423800 672272707 /nfs/dbraw/zinc/27/27/07/672272707.db2.gz AAIQLFFVVNARQL-UHFFFAOYSA-N -1 3 361.489 0.581 10 0 FCAEHM COCCN1CCC[C@@H]1C[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000866723872 672292648 /nfs/dbraw/zinc/29/26/48/672292648.db2.gz JJPBOHYPCFIRMX-SNVBAGLBSA-N -1 3 370.397 0.828 10 0 FCAEHM COC(=O)c1ccoc1S(=O)(=O)[N-]CC1(N2CCCC2)CCOCC1 ZINC000866741329 672295629 /nfs/dbraw/zinc/29/56/29/672295629.db2.gz DKLZUBKWIQIHKR-UHFFFAOYSA-N -1 3 372.443 0.990 10 0 FCAEHM COC(=O)[C@@](C)([N-]S(=O)(=O)c1cn(C)nc1Br)C1CC1 ZINC000866813352 672310808 /nfs/dbraw/zinc/31/08/08/672310808.db2.gz VDAGZIQBACHIMJ-NSHDSACASA-N -1 3 366.237 0.803 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-]CC[C@]2(O)CCOC2)c1Br ZINC000867461098 672319626 /nfs/dbraw/zinc/31/96/26/672319626.db2.gz ZJIZSMUOPMIMEK-JTQLQIEISA-N -1 3 354.226 0.002 10 0 FCAEHM CCN1C[C@H](S(=O)(=O)[N-][C@@H](C)C(=O)OCc2ccccc2)CC1=O ZINC000867483103 672323569 /nfs/dbraw/zinc/32/35/69/672323569.db2.gz OSZOXNRCIHKBHO-GXTWGEPZSA-N -1 3 354.428 0.659 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]C2CN(c3ccncn3)C2)c(Br)n1 ZINC000867685242 672354793 /nfs/dbraw/zinc/35/47/93/672354793.db2.gz CHKIXXYSTAICMU-UHFFFAOYSA-N -1 3 373.236 0.140 10 0 FCAEHM COC(=O)c1nscc1S(=O)(=O)[N-][C@H]1CCCN(CCF)C1 ZINC000867711505 672357833 /nfs/dbraw/zinc/35/78/33/672357833.db2.gz RAWVJOUGFWQTOX-VIFPVBQESA-N -1 3 351.425 0.642 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]C[C@@]23COC(=O)N2CCOC3)c(F)c1F ZINC000867749326 672362809 /nfs/dbraw/zinc/36/28/09/672362809.db2.gz GMJOQDMRBFJJOQ-CQSZACIVSA-N -1 3 362.354 0.773 10 0 FCAEHM CS(=O)(=O)NC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccnc1Cl ZINC000800196913 673421935 /nfs/dbraw/zinc/42/19/35/673421935.db2.gz DBEILYJDBFQNJK-NXEZZACHSA-N -1 3 367.880 0.731 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CC1(OCCO)CCOCC1 ZINC000800199745 673422680 /nfs/dbraw/zinc/42/26/80/673422680.db2.gz PXAUAJYVXOUPFJ-UHFFFAOYSA-N -1 3 367.855 0.218 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CNOC2)c(Cl)cc1Cl ZINC000923722224 673738222 /nfs/dbraw/zinc/73/82/22/673738222.db2.gz KVYGAPDFQPEVEH-ZCFIWIBFSA-N -1 3 355.199 0.962 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)[C@@]34CCC(=O)N3CCS4)CC2)n1 ZINC000924299732 673749653 /nfs/dbraw/zinc/74/96/53/673749653.db2.gz GCFXRYJCJKIYEC-INIZCTEOSA-N -1 3 363.443 0.205 10 0 FCAEHM CC(C)N1CCCN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CC1 ZINC000926319506 673822264 /nfs/dbraw/zinc/82/22/64/673822264.db2.gz HPLZJBUWWZRCLB-LSDHHAIUSA-N -1 3 351.447 0.498 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC(=O)N(C)[C@H](C)C2)ccc1F ZINC000800651640 675687114 /nfs/dbraw/zinc/68/71/14/675687114.db2.gz GDSCOPDCHVFGCC-LLVKDONJSA-N -1 3 371.434 0.815 10 0 FCAEHM CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1nnc2ccccc2c1[O-] ZINC000800668927 675689746 /nfs/dbraw/zinc/68/97/46/675689746.db2.gz YPTDREPRECEFTF-CMPLNLGQSA-N -1 3 364.427 0.783 10 0 FCAEHM CCN1CC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)OC)C1=O ZINC000801713983 675803265 /nfs/dbraw/zinc/80/32/65/675803265.db2.gz MSLHXEYEFCAGIY-MRVPVSSYSA-N -1 3 361.807 0.421 10 0 FCAEHM Cc1nc(C(F)(F)F)ccc1NC(=O)C(=O)[N-]N1CC(=O)N(C)C1=O ZINC000802572629 675853992 /nfs/dbraw/zinc/85/39/92/675853992.db2.gz APOCTGOSJTVQAS-UHFFFAOYSA-N -1 3 359.264 0.273 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NCCCNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001687115190 1167897410 /nfs/dbraw/zinc/89/74/10/1167897410.db2.gz RZUDNMDKKCFRBI-VXGBXAGGSA-N -1 3 358.402 0.264 10 0 FCAEHM CC[C@@H](CNC(=O)[C@@H]1CCO[C@H]1CC)NC(=O)c1c(C)nc[n-]c1=O ZINC001746185199 1192332348 /nfs/dbraw/zinc/33/23/48/1192332348.db2.gz JJGJEFFVLDFUAX-XQQFMLRXSA-N -1 3 350.419 0.930 10 0 FCAEHM CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)NC(=O)c1cnc[n-]c1=O ZINC001746203127 1192339807 /nfs/dbraw/zinc/33/98/07/1192339807.db2.gz DKUCILAAMLPNDY-IJLUTSLNSA-N -1 3 358.402 0.344 10 0 FCAEHM CC[C@@H](CNC(=O)c1nnc2ccccc2c1[O-])NC(=O)[C@]12C[C@H]1COC2 ZINC001746208237 1192347969 /nfs/dbraw/zinc/34/79/69/1192347969.db2.gz NJYXJCICYDOOSC-ZKTNFTSUSA-N -1 3 370.409 0.997 10 0 FCAEHM COC[C@H](C)C(=O)NCC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001719746245 1179870294 /nfs/dbraw/zinc/87/02/94/1179870294.db2.gz DXOLOBSXAZSSTO-FRRDWIJNSA-N -1 3 350.419 0.679 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1CCNC(=O)Cn1ncnn1 ZINC001719760569 1179902655 /nfs/dbraw/zinc/90/26/55/1179902655.db2.gz NCDBTHIPWVDPNG-CHWSQXEVSA-N -1 3 358.402 0.293 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1c[nH]nc1I ZINC001627152323 1183210185 /nfs/dbraw/zinc/21/01/85/1183210185.db2.gz DVQKRJUWAAVUFS-ZCFIWIBFSA-N -1 3 361.143 0.256 10 0 FCAEHM C[C@H](NC(=O)NCc1nc2c(c(=O)[n-]1)COCC2)[C@@H](O)C(F)(F)F ZINC001687390597 1188338033 /nfs/dbraw/zinc/33/80/33/1188338033.db2.gz DCQBIPBWHAGYOC-QUBYGPBYSA-N -1 3 350.297 0.366 10 0 FCAEHM O=C(c1cc2c(cc1[O-])OCO2)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000436690609 1195554409 /nfs/dbraw/zinc/55/44/09/1195554409.db2.gz HRJDQXPXPMBKEU-LBPRGKRZSA-N -1 3 362.382 0.832 10 0 FCAEHM COCCN(CCOC)C1CN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000911860165 1196315394 /nfs/dbraw/zinc/31/53/94/1196315394.db2.gz RMLLIMUXZYQYAY-UHFFFAOYSA-N -1 3 359.426 0.947 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC001168401794 1196551282 /nfs/dbraw/zinc/55/12/82/1196551282.db2.gz AYNIJXQXXHZVKJ-CQSZACIVSA-N -1 3 355.398 0.793 10 0 FCAEHM Cc1nnnn1[C@H](Cc1ccccc1)C(=O)NCCCc1c[n-][nH]c1=O ZINC001168402630 1196640069 /nfs/dbraw/zinc/64/00/69/1196640069.db2.gz FAXCJANUVGVDGT-LSDHHAIUSA-N -1 3 355.402 0.394 10 0 FCAEHM COc1ccc(N2C[C@@H](C(=O)NCCCc3c[n-][nH]c3=O)CC2=O)cc1 ZINC001168406208 1196744891 /nfs/dbraw/zinc/74/48/91/1196744891.db2.gz YHXGBRJRQLRENB-OLZOCXBDSA-N -1 3 358.398 0.676 10 0 FCAEHM CNC(=O)CN1CCC(NC(=O)NCCc2c(F)cc([O-])cc2F)CC1 ZINC000914115989 1197240374 /nfs/dbraw/zinc/24/03/74/1197240374.db2.gz KRSRSSBJMSUXRF-UHFFFAOYSA-N -1 3 370.400 0.723 10 0 FCAEHM COCCN1CCC[C@@H]1CNC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1 ZINC000741744631 1198118564 /nfs/dbraw/zinc/11/85/64/1198118564.db2.gz ZMTFPLPGFWQVBH-CQSZACIVSA-N -1 3 374.445 0.413 10 0 FCAEHM CCON(C)C(=O)CNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC000846507719 1204634792 /nfs/dbraw/zinc/63/47/92/1204634792.db2.gz ULIJNUGTFXPZIU-UHFFFAOYSA-N -1 3 364.333 0.014 10 0 FCAEHM CCON(C)C(=O)CNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000846507719 1204634795 /nfs/dbraw/zinc/63/47/95/1204634795.db2.gz ULIJNUGTFXPZIU-UHFFFAOYSA-N -1 3 364.333 0.014 10 0 FCAEHM O=C(CN1CC[C@H](c2nnn[n-]2)C1)Nc1ccc(N2CCOCC2)cc1 ZINC001175700389 1206306653 /nfs/dbraw/zinc/30/66/53/1206306653.db2.gz XVTBRFNWNQLULX-ZDUSSCGKSA-N -1 3 357.418 0.464 10 0 FCAEHM O=C(CN1CC[C@H](c2nn[n-]n2)C1)Nc1ccc(N2CCOCC2)cc1 ZINC001175700389 1206306657 /nfs/dbraw/zinc/30/66/57/1206306657.db2.gz XVTBRFNWNQLULX-ZDUSSCGKSA-N -1 3 357.418 0.464 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)[C@H]1CNC(=O)c2ccccc21 ZINC001180027154 1206387826 /nfs/dbraw/zinc/38/78/26/1206387826.db2.gz FLLUSKXNPBMYAE-RISCZKNCSA-N -1 3 353.382 0.404 10 0 FCAEHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCN(c3cc(=O)[nH]cn3)C2)c1 ZINC001180027022 1206388066 /nfs/dbraw/zinc/38/80/66/1206388066.db2.gz AIJORISLHJFTEZ-LBPRGKRZSA-N -1 3 357.370 0.855 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N(C)[C@@H](CNC(=O)[C@]12C[C@H]1COC2)C1CC1 ZINC001487673375 1208391341 /nfs/dbraw/zinc/39/13/41/1208391341.db2.gz FERAARVRQAAJIG-LXIYXOSZSA-N -1 3 360.414 0.494 10 0 FCAEHM C[C@@H]1CCCN(C(=O)Cc2cnc[nH]2)[C@@H]1CCCNCc1n[nH]c(=O)[n-]1 ZINC001489070120 1208619527 /nfs/dbraw/zinc/61/95/27/1208619527.db2.gz WPVFTVWJSHKZIZ-TZMCWYRMSA-N -1 3 361.450 0.973 10 0 FCAEHM CCC[C@H](CC)C(=O)N1C[C@@H](NC(=O)c2c(C)nc[n-]c2=O)[C@@H](O)C1 ZINC001489614937 1209045863 /nfs/dbraw/zinc/04/58/63/1209045863.db2.gz WDXWCWIYRZLCEV-XQQFMLRXSA-N -1 3 350.419 0.618 10 0 FCAEHM CCC[C@@H](CC)C(=O)N1C[C@@H](NC(=O)c2c(C)nc[n-]c2=O)[C@@H](O)C1 ZINC001489614936 1209046003 /nfs/dbraw/zinc/04/60/03/1209046003.db2.gz WDXWCWIYRZLCEV-UPJWGTAASA-N -1 3 350.419 0.618 10 0 FCAEHM O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1(CF)CCOCC1)c1cn[n-]n1 ZINC001489699106 1209093410 /nfs/dbraw/zinc/09/34/10/1209093410.db2.gz PTCQIFNQDKLIMR-VXGBXAGGSA-N -1 3 353.398 0.728 10 0 FCAEHM O=C(Cc1cscn1)NC[C@H]1CC[C@@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001489878361 1209137606 /nfs/dbraw/zinc/13/76/06/1209137606.db2.gz JXAHKSSTMJQWJB-WDEREUQCSA-N -1 3 361.427 0.896 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)NCc1cc(=O)[n-]c(CNC(=O)CCOC)n1 ZINC001489967274 1209185069 /nfs/dbraw/zinc/18/50/69/1209185069.db2.gz RHIMHVMLUKTJQH-BZNIZROVSA-N -1 3 366.418 0.266 10 0 FCAEHM C[C@@H](CC(N)=O)C(=O)N1CC[C@H](NC(=O)c2cccc3n[n-]nc32)[C@H]1C ZINC001490094897 1209253107 /nfs/dbraw/zinc/25/31/07/1209253107.db2.gz CMLAMGXCEABXMZ-UMNHJUIQSA-N -1 3 358.402 0.189 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1CNC(=O)CCn1cncn1 ZINC001490260672 1209305000 /nfs/dbraw/zinc/30/50/00/1209305000.db2.gz KMIOLFWNRUQMFP-ZIAGYGMSSA-N -1 3 357.414 0.898 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1CNC(=O)CCc1cn(C)nn1 ZINC001490327890 1209319563 /nfs/dbraw/zinc/31/95/63/1209319563.db2.gz YMKFJCOBNWGWDM-ZIAGYGMSSA-N -1 3 371.441 0.978 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CCNC(=O)Cc1cnc[nH]1 ZINC001490465922 1209354956 /nfs/dbraw/zinc/35/49/56/1209354956.db2.gz OWKFDXUAAQRQDP-CHWSQXEVSA-N -1 3 357.414 0.967 10 0 FCAEHM C[C@@]12COC[C@H]1CN(C(=O)c1nn(-c3ccc(F)cc3)c(=O)cc1[O-])C2 ZINC000855835546 1209682116 /nfs/dbraw/zinc/68/21/16/1209682116.db2.gz LTLJZSLIUNWMNS-ADLMAVQZSA-N -1 3 359.357 0.982 10 0 FCAEHM C[C@@]12COC[C@H]1CN(C(=O)c1nn(-c3ccc(F)cc3)c([O-])cc1=O)C2 ZINC000855835546 1209682120 /nfs/dbraw/zinc/68/21/20/1209682120.db2.gz LTLJZSLIUNWMNS-ADLMAVQZSA-N -1 3 359.357 0.982 10 0 FCAEHM CC(C)(C)OC(=O)NCc1cc(=O)[n-]c(CNC(=O)C2CC(C)(O)C2)n1 ZINC000856335427 1209705960 /nfs/dbraw/zinc/70/59/60/1209705960.db2.gz CXHZYGWHKXWJMB-UHFFFAOYSA-N -1 3 366.418 0.984 10 0 FCAEHM COC(=O)Cc1n[n-]c(NC(=O)C2(NC(=O)OCc3ccccc3)CC2)n1 ZINC000859434672 1209821823 /nfs/dbraw/zinc/82/18/23/1209821823.db2.gz LLQRITDYTWBAFY-UHFFFAOYSA-N -1 3 373.369 0.918 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)C2(NC(=O)OCc3ccccc3)CC2)n[n-]1 ZINC000859434672 1209821826 /nfs/dbraw/zinc/82/18/26/1209821826.db2.gz LLQRITDYTWBAFY-UHFFFAOYSA-N -1 3 373.369 0.918 10 0 FCAEHM COc1ccc(CN2CC[C@H]2CNC(=O)CCn2cc[n-]c(=O)c2=O)cc1 ZINC000862756346 1209923564 /nfs/dbraw/zinc/92/35/64/1209923564.db2.gz QQOBGOWRCRPHFS-HNNXBMFYSA-N -1 3 372.425 0.326 10 0 FCAEHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CNC(=O)C2)c1 ZINC001299379456 1211117662 /nfs/dbraw/zinc/11/76/62/1211117662.db2.gz IOKWYJIFBGHAAS-SNVBAGLBSA-N -1 3 358.354 0.807 10 0 FCAEHM CN1C[C@@H](CCNC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)CC1=O ZINC000924730120 1211478364 /nfs/dbraw/zinc/47/83/64/1211478364.db2.gz MZYFUPZICKOAIH-AWEZNQCLSA-N -1 3 374.441 0.728 10 0 FCAEHM CN1C[C@H](CCNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC1=O ZINC000927744621 1211580527 /nfs/dbraw/zinc/58/05/27/1211580527.db2.gz CZVBIJKHWNJHNP-HIFRSBDPSA-N -1 3 359.426 0.981 10 0 FCAEHM Cc1nn(CC(=O)NCCNC(=O)c2ccc([O-])cc2)c2ncccc12 ZINC001137463640 1216641896 /nfs/dbraw/zinc/64/18/96/1216641896.db2.gz UHUAUROCKYZTKR-UHFFFAOYSA-N -1 3 353.382 0.992 10 0 FCAEHM Cc1cc(C)nc(-n2[n-]c(C(=O)N(C)[C@@H]3CCN(C4CC4)C3)cc2=O)n1 ZINC000900663443 1218020452 /nfs/dbraw/zinc/02/04/52/1218020452.db2.gz FEUPMBBNEUWUOB-CQSZACIVSA-N -1 3 356.430 0.881 10 0 FCAEHM CCOCCNC(=O)COC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000753446804 1220091534 /nfs/dbraw/zinc/09/15/34/1220091534.db2.gz DVBDAWUOSRWRTN-AWEZNQCLSA-N -1 3 364.398 0.693 10 0 FCAEHM C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000783949244 1221224414 /nfs/dbraw/zinc/22/44/14/1221224414.db2.gz LHJCNHYOQDNGCZ-OTYXRUKQSA-N -1 3 361.354 0.761 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(C(=O)C(=O)NC[C@@H]3C[C@@H]3C)CC2)n[n-]1 ZINC001117059248 1221449748 /nfs/dbraw/zinc/44/97/48/1221449748.db2.gz BJFUUTJQSRQDSJ-JQWIXIFHSA-N -1 3 363.418 0.460 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(C(=O)C(=O)NC[C@@H]3C[C@@H]3C)CC2)[n-]1 ZINC001117059248 1221449756 /nfs/dbraw/zinc/44/97/56/1221449756.db2.gz BJFUUTJQSRQDSJ-JQWIXIFHSA-N -1 3 363.418 0.460 10 0 FCAEHM O=C(NCCCn1cc(CO)nn1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001141801396 1222778622 /nfs/dbraw/zinc/77/86/22/1222778622.db2.gz UPEBOLVGQHLCRX-UHFFFAOYSA-N -1 3 363.324 0.710 10 0 FCAEHM CN(C)C(=O)C1(NC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])CC1 ZINC000840500737 1222789607 /nfs/dbraw/zinc/78/96/07/1222789607.db2.gz LYRWELCXBSGCLM-UHFFFAOYSA-N -1 3 360.345 0.225 10 0 FCAEHM CN(C)C(=O)C1(NC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)CC1 ZINC000840500737 1222789618 /nfs/dbraw/zinc/78/96/18/1222789618.db2.gz LYRWELCXBSGCLM-UHFFFAOYSA-N -1 3 360.345 0.225 10 0 FCAEHM COc1ccc(C(=O)NCCCc2c[n-][nH]c2=O)cc1N1CCNC1=O ZINC001149262824 1222881491 /nfs/dbraw/zinc/88/14/91/1222881491.db2.gz PCXJOZZOGVXGQM-LBPRGKRZSA-N -1 3 359.386 0.467 10 0 FCAEHM CN(C)c1nc(C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)cc(=O)[n-]1 ZINC000765982612 1245305291 /nfs/dbraw/zinc/30/52/91/1245305291.db2.gz KRYMTLPAYJOMNH-UHFFFAOYSA-N -1 3 356.386 0.437 10 0 FCAEHM CN1CCN(c2cc(C(=O)N3CC[C@@H](c4cc(=O)[nH][n-]4)C3)ccn2)CC1 ZINC000823795761 1245321638 /nfs/dbraw/zinc/32/16/38/1245321638.db2.gz PHFXYWWHKWEHMS-CQSZACIVSA-N -1 3 356.430 0.892 10 0 FCAEHM O=C(c1cnc[n-]c1=O)N1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)CC1 ZINC000941421548 1246615588 /nfs/dbraw/zinc/61/55/88/1246615588.db2.gz GDWQBWGSVIXKAT-HIFRSBDPSA-N -1 3 360.414 0.672 10 0 FCAEHM COC(=O)CCN1CCC[C@@H](OC(=O)CCc2c(C)nc[n-]c2=O)C1=O ZINC001327929059 1265456261 /nfs/dbraw/zinc/45/62/61/1265456261.db2.gz FXZCGIBIOMRULM-CYBMUJFWSA-N -1 3 365.386 0.521 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@@H]1Cc2cncn2C1 ZINC001328725874 1265602889 /nfs/dbraw/zinc/60/28/89/1265602889.db2.gz NJFOZGVKIBJVGO-CYBMUJFWSA-N -1 3 350.382 0.620 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)CCOC)CCN1C(=O)CCc1c(C)nc[n-]c1=O ZINC001519643616 1265741560 /nfs/dbraw/zinc/74/15/60/1265741560.db2.gz BRMXZUHUONAAJL-LSDHHAIUSA-N -1 3 364.446 0.955 10 0 FCAEHM CN(Cc1ccccc1)C[C@H](N)C(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC001329685404 1265814575 /nfs/dbraw/zinc/81/45/75/1265814575.db2.gz HKYCQZJFAOIMIR-KRWDZBQOSA-N -1 3 363.458 0.928 10 0 FCAEHM COC[C@H](C)C(=O)N1CC[C@@H]2CN(C(=O)c3c(C)nc[n-]c3=O)C[C@@H]2C1 ZINC001520296574 1265899836 /nfs/dbraw/zinc/89/98/36/1265899836.db2.gz KMPAZWVMMLHQLL-YUTCNCBUSA-N -1 3 362.430 0.694 10 0 FCAEHM Nc1nn2c([n-]1)nc(CN1C[C@H](c3ccccc3)[C@@](F)(CO)C1)cc2=O ZINC001331329169 1266195077 /nfs/dbraw/zinc/19/50/77/1266195077.db2.gz ZLXHRXMPAASVIV-DYVFJYSZSA-N -1 3 358.377 0.300 10 0 FCAEHM O=C(Cc1ccn(CC(F)(F)F)n1)N1CCC(Cc2nnn[n-]2)CC1 ZINC001521868550 1266196428 /nfs/dbraw/zinc/19/64/28/1266196428.db2.gz VDDDGSQVKMNOQM-UHFFFAOYSA-N -1 3 357.340 0.982 10 0 FCAEHM O=C(Cc1ccn(CC(F)(F)F)n1)N1CCC(Cc2nn[n-]n2)CC1 ZINC001521868550 1266196434 /nfs/dbraw/zinc/19/64/34/1266196434.db2.gz VDDDGSQVKMNOQM-UHFFFAOYSA-N -1 3 357.340 0.982 10 0 FCAEHM COCC(=O)NCC[C@@H]1CN(C(=O)Cc2c(C)nc(C)[n-]c2=O)C[C@H]1C ZINC001521963872 1266262843 /nfs/dbraw/zinc/26/28/43/1266262843.db2.gz UIEOSHFLXLROAT-BXUZGUMPSA-N -1 3 364.446 0.589 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)N(CCCO)Cc1ccccn1 ZINC001251450636 1259748416 /nfs/dbraw/zinc/74/84/16/1259748416.db2.gz BNNVOIMSGHQHPY-HNNXBMFYSA-N -1 3 372.429 0.750 10 0 FCAEHM O=C(NCc1ccc2nonc2c1)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001251450908 1259749194 /nfs/dbraw/zinc/74/91/94/1259749194.db2.gz JLMPZUDFQIHVLQ-LLVKDONJSA-N -1 3 355.358 0.797 10 0 FCAEHM Cc1nccn1CCCN(C)C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001254488790 1259886417 /nfs/dbraw/zinc/88/64/17/1259886417.db2.gz NJBNWPSYJATTDI-UHFFFAOYSA-N -1 3 360.418 0.992 10 0 FCAEHM CC1(C)[C@H](C(=O)NC[C@@H](CO)NC(=O)c2cn[n-]n2)[C@H]1c1ccccc1 ZINC001337676795 1260456642 /nfs/dbraw/zinc/45/66/42/1260456642.db2.gz YWYKGHYOACRKDD-CFVMTHIKSA-N -1 3 357.414 0.451 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@@H](CO)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001337792826 1260486565 /nfs/dbraw/zinc/48/65/65/1260486565.db2.gz GRHMGHIAHSXKPL-XDQVBPFNSA-N -1 3 362.430 0.524 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@@H](CO)NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001337794863 1260487855 /nfs/dbraw/zinc/48/78/55/1260487855.db2.gz ZXNYUJQAHQVNMX-ZOBORPQBSA-N -1 3 360.414 0.300 10 0 FCAEHM COCCC[C@@H](C)C(=O)N1CC[C@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@H]21 ZINC001281632631 1261130542 /nfs/dbraw/zinc/13/05/42/1261130542.db2.gz OFYZVXFPNZXSQW-VNHYZAJKSA-N -1 3 362.430 0.918 10 0 FCAEHM C[C@H](CNC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1)N1CCC(C)CC1 ZINC001332390386 1266393199 /nfs/dbraw/zinc/39/31/99/1266393199.db2.gz GBXGSJMOOUVVMC-CQSZACIVSA-N -1 3 369.462 0.221 10 0 FCAEHM CC[C@@H](C)C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)n1 ZINC001282234865 1261387728 /nfs/dbraw/zinc/38/77/28/1261387728.db2.gz RVEZREJBWKKXQF-IEBQYBHISA-N -1 3 374.441 0.884 10 0 FCAEHM CC(C)C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)n1 ZINC001282232887 1261387914 /nfs/dbraw/zinc/38/79/14/1261387914.db2.gz JSQWFEGCEJXPEV-VXGBXAGGSA-N -1 3 358.402 0.597 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NCc1cc(=O)[n-]c(CNC(=O)C[C@H]2CCOC2)n1 ZINC001282232380 1261388026 /nfs/dbraw/zinc/38/80/26/1261388026.db2.gz IIBQMJVGDMYIJX-YRGRVCCFSA-N -1 3 362.430 0.887 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)CC3CS(=O)(=O)C3)CC2)n1 ZINC001472024623 1261425703 /nfs/dbraw/zinc/42/57/03/1261425703.db2.gz VTKYSLAKEHRRMD-UHFFFAOYSA-N -1 3 354.432 0.010 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@@H](CO)C(F)(F)F ZINC001472234163 1261452789 /nfs/dbraw/zinc/45/27/89/1261452789.db2.gz XNFQAWZEWFIUMQ-NSHDSACASA-N -1 3 356.304 0.722 10 0 FCAEHM CC(=O)N[C@@H](C(=O)NN1CC(=O)[N-]C1=O)c1cccc(Br)c1 ZINC001472486331 1261470975 /nfs/dbraw/zinc/47/09/75/1261470975.db2.gz MMCHIDMZUFOVMO-LLVKDONJSA-N -1 3 369.175 0.209 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C[C@](O)(c1nccn1C)C(F)(F)F ZINC001472507318 1261472050 /nfs/dbraw/zinc/47/20/50/1261472050.db2.gz XPSOFFMLQKCLNC-ZANVPECISA-N -1 3 361.324 0.188 10 0 FCAEHM C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1CCNC(=O)c1cccc2n[n-]nc21 ZINC001282542186 1261517512 /nfs/dbraw/zinc/51/75/12/1261517512.db2.gz MTJWYTZSGNPMMK-GHMZBOCLSA-N -1 3 358.402 0.048 10 0 FCAEHM Cc1cc(C)n(CCCC(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@H]2C)n1 ZINC001345478790 1261717725 /nfs/dbraw/zinc/71/77/25/1261717725.db2.gz DYUWYBLQIBXQLT-KGLIPLIRSA-N -1 3 359.434 0.818 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCO2)[C@@H]1C ZINC001345479825 1261718161 /nfs/dbraw/zinc/71/81/61/1261718161.db2.gz VBLKWSHRNGUQCE-SNPRPXQTSA-N -1 3 362.430 0.708 10 0 FCAEHM O=C(NCCN(C(=O)[C@@H]1CCO[C@H]1C1CC1)C1CC1)c1cnc[n-]c1=O ZINC001284739860 1261783384 /nfs/dbraw/zinc/78/33/84/1261783384.db2.gz XUAKXEWRRPGFQH-HIFRSBDPSA-N -1 3 360.414 0.718 10 0 FCAEHM CC[C@@H](CNC(=O)c1c(C)nc[n-]c1=O)NC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001285097135 1261809559 /nfs/dbraw/zinc/80/95/59/1261809559.db2.gz XPPCLJBPIAZXPE-GUTXKFCHSA-N -1 3 362.430 0.930 10 0 FCAEHM C[C@](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)(NC(=O)c1cnc[n-]c1=O)C1CC1 ZINC001285145286 1261816348 /nfs/dbraw/zinc/81/63/48/1261816348.db2.gz PFYGJWUWIMHJFY-LSIMKLPESA-N -1 3 360.414 0.764 10 0 FCAEHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)N(C)C(=O)c1cnc[n-]c1=O ZINC001285762873 1261875751 /nfs/dbraw/zinc/87/57/51/1261875751.db2.gz OHNUUXOEGDHCAN-FPMFFAJLSA-N -1 3 362.430 0.822 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NC[C@@H](O)CN(C)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001288095125 1261997904 /nfs/dbraw/zinc/99/79/04/1261997904.db2.gz KBLMKLZMUSBKPJ-RAIGVLPGSA-N -1 3 362.430 0.655 10 0 FCAEHM CCOCCC(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2c(C)nc(C)[n-]c2=O)C1 ZINC001289301729 1262166428 /nfs/dbraw/zinc/16/64/28/1262166428.db2.gz PKBLUIJRYQYHTI-IAQYHMDHSA-N -1 3 364.446 0.731 10 0 FCAEHM COC[C@@H](OC)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001290198997 1262399657 /nfs/dbraw/zinc/39/96/57/1262399657.db2.gz QKUMXGFLCXILAK-YNEHKIRRSA-N -1 3 366.418 0.167 10 0 FCAEHM CC(C)[C@@H](C)C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@]23C[C@H]2COC3)n1 ZINC001290364656 1262433409 /nfs/dbraw/zinc/43/34/09/1262433409.db2.gz WEIHHNITTFEAGK-SOZUMNATSA-N -1 3 362.430 0.743 10 0 FCAEHM COC(=O)NCC(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2ccccc2[O-])C1 ZINC001291568442 1262559189 /nfs/dbraw/zinc/55/91/89/1262559189.db2.gz DUGUEHIBEGBHCH-CHWSQXEVSA-N -1 3 363.414 0.963 10 0 FCAEHM COC(=O)C1=NO[C@]2(CCN(C(=O)c3cc(NC(C)=O)ccc3[O-])C2)C1 ZINC001302629866 1263052619 /nfs/dbraw/zinc/05/26/19/1263052619.db2.gz AOSGQGGIYLWLFW-QGZVFWFLSA-N -1 3 361.354 0.885 10 0 FCAEHM COC(=O)C1=NO[C@@]2(CCN(C(=O)c3cc(NC(C)=O)ccc3[O-])C2)C1 ZINC001302629865 1263052900 /nfs/dbraw/zinc/05/29/00/1263052900.db2.gz AOSGQGGIYLWLFW-KRWDZBQOSA-N -1 3 361.354 0.885 10 0 FCAEHM O=C(NCc1nnc(C2CC2)s1)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001478825586 1263145823 /nfs/dbraw/zinc/14/58/23/1263145823.db2.gz XVNWJPQLEYQMFJ-SNVBAGLBSA-N -1 3 361.431 0.989 10 0 FCAEHM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)NCCCc1nc[nH]n1 ZINC001478935229 1263155270 /nfs/dbraw/zinc/15/52/70/1263155270.db2.gz VNSICJDTJSQBDJ-UWVGGRQHSA-N -1 3 362.356 0.978 10 0 FCAEHM O=C(NCCOC1CCOCC1)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001479415034 1263190963 /nfs/dbraw/zinc/19/09/63/1263190963.db2.gz ZDQZJLJUNATJBV-GFCCVEGCSA-N -1 3 351.407 0.256 10 0 FCAEHM CCNC(=O)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001479425647 1263195550 /nfs/dbraw/zinc/19/55/50/1263195550.db2.gz HYNDINLGCLKWMB-JKSUJKDBSA-N -1 3 369.425 0.516 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CCC[C@@H](Cn2ccnn2)C1 ZINC001479509673 1263235535 /nfs/dbraw/zinc/23/55/35/1263235535.db2.gz UJLFLEOLMGYYDU-ZIAGYGMSSA-N -1 3 372.433 0.474 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CCC[C@@H](Cn2ccnn2)C1 ZINC001479509667 1263236163 /nfs/dbraw/zinc/23/61/63/1263236163.db2.gz UJLFLEOLMGYYDU-KGLIPLIRSA-N -1 3 372.433 0.474 10 0 FCAEHM Cc1nccn1CCCC(=O)NC[C@H]1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001316661563 1263404356 /nfs/dbraw/zinc/40/43/56/1263404356.db2.gz NQSZJZSDOGZVHX-UONOGXRCSA-N -1 3 361.450 0.870 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)c2cnc[n-]c2=O)CCN1CC(=O)NCc1cccnc1 ZINC001316786022 1263476436 /nfs/dbraw/zinc/47/64/36/1263476436.db2.gz IUDMWQOFOZPOLH-DOMZBBRYSA-N -1 3 370.413 0.086 10 0 FCAEHM CC(C)[C@H](CCN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1)NC(=O)c1cn[n-]n1 ZINC001487072324 1263585736 /nfs/dbraw/zinc/58/57/36/1263585736.db2.gz PCHZKSLRIBNTDU-AGIUHOORSA-N -1 3 364.450 0.309 10 0 FCAEHM CN1CC[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)[C@@H]1c1ccc(F)cc1 ZINC001319699563 1263722339 /nfs/dbraw/zinc/72/23/39/1263722339.db2.gz FKPLCVFSGZPKAL-ZBFHGGJFSA-N -1 3 360.389 0.627 10 0 FCAEHM O=C([C@@H]1C[C@H]1c1c[nH]cn1)N1CCC(CCNCc2n[nH]c(=O)[n-]2)CC1 ZINC001495415422 1263819415 /nfs/dbraw/zinc/81/94/15/1263819415.db2.gz ISCCVQLGGKSFOP-CHWSQXEVSA-N -1 3 359.434 0.755 10 0 FCAEHM CCCN(CCNC(=O)[C@@H]1CCO[C@H]1CC)C(=O)c1cnc[n-]c1=O ZINC001497307854 1263924669 /nfs/dbraw/zinc/92/46/69/1263924669.db2.gz GOQAGOAXAKUMDL-OCCSQVGLSA-N -1 3 350.419 0.966 10 0 FCAEHM CC[C@H](CNC(=O)Cc1c(C)nc(C)[n-]c1=O)NC(=O)[C@]12C[C@H]1COC2 ZINC001499090739 1264003587 /nfs/dbraw/zinc/00/35/87/1264003587.db2.gz DZHATUGLQJMXGP-JCGVRSQUSA-N -1 3 362.430 0.389 10 0 FCAEHM CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)NC(=O)c1c(C)nc[n-]c1=O ZINC001499171803 1264009639 /nfs/dbraw/zinc/00/96/39/1264009639.db2.gz HYLKXMKRJKSITP-IJLUTSLNSA-N -1 3 358.402 0.642 10 0 FCAEHM CC(C)[C@@H](CNC(=O)c1cnc[n-]c1=O)NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001500857331 1264091064 /nfs/dbraw/zinc/09/10/64/1264091064.db2.gz ZHMUGQJZPJIRAU-NQBHXWOUSA-N -1 3 358.402 0.580 10 0 FCAEHM Cn1nccc1[C@@H]1C[C@H]1C(=O)NC[C@H](O)CNC(=O)c1ccccc1[O-] ZINC001501428000 1264121805 /nfs/dbraw/zinc/12/18/05/1264121805.db2.gz FAPXYKILCKWBNV-MRVWCRGKSA-N -1 3 358.398 0.136 10 0 FCAEHM Cn1nccc1[C@@H]1C[C@H]1C(=O)NC1(CNC(=O)c2cnc[n-]c2=O)CC1 ZINC001506115982 1264293926 /nfs/dbraw/zinc/29/39/26/1264293926.db2.gz FNYHSPHMDSKPHA-GHMZBOCLSA-N -1 3 356.386 0.098 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1CC[C@](C)(CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001506610201 1264331248 /nfs/dbraw/zinc/33/12/48/1264331248.db2.gz OILKNKIIEFVFBY-RZAIGCCYSA-N -1 3 360.414 0.496 10 0 FCAEHM CN(C[C@@H](O)CNC(=O)c1cccc2n[n-]nc21)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001511552173 1264553881 /nfs/dbraw/zinc/55/38/81/1264553881.db2.gz YLLXFUWWQZLURM-FPMFFAJLSA-N -1 3 357.414 0.553 10 0 FCAEHM CN(C[C@H](O)CNC(=O)c1ccccc1[O-])C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001511566082 1264558934 /nfs/dbraw/zinc/55/89/34/1264558934.db2.gz VGVCZAQZQKBAES-MRVWCRGKSA-N -1 3 358.398 0.468 10 0 FCAEHM CO[C@H](CC(C)C)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001513305386 1265024888 /nfs/dbraw/zinc/02/48/88/1265024888.db2.gz LUGKLKSGNNMSSB-MRVWCRGKSA-N -1 3 350.419 0.820 10 0 FCAEHM CO[C@@H](CC(C)C)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001513305382 1265025047 /nfs/dbraw/zinc/02/50/47/1265025047.db2.gz LUGKLKSGNNMSSB-BNOWGMLFSA-N -1 3 350.419 0.820 10 0 FCAEHM C[C@@H](CNC(=O)N1CCc2occc2[C@H]1C(=O)[O-])CN1CCN(C)CC1 ZINC001332595093 1266436132 /nfs/dbraw/zinc/43/61/32/1266436132.db2.gz CCJLRYDQYYYIEQ-BBRMVZONSA-N -1 3 364.446 0.857 10 0 FCAEHM CN1CCN(CCNC(=O)N[C@@H](CC2CCOCC2)C(=O)[O-])CC1(C)C ZINC001332605648 1266440263 /nfs/dbraw/zinc/44/02/63/1266440263.db2.gz DNMQKWLMERYMMI-HNNXBMFYSA-N -1 3 370.494 0.582 10 0 FCAEHM O=C(CCc1c[nH]cn1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O ZINC001522286321 1266466589 /nfs/dbraw/zinc/46/65/89/1266466589.db2.gz FDENTZXFMISXAJ-BNOWGMLFSA-N -1 3 356.386 0.400 10 0 FCAEHM CC(C)C[C@H](C(N)=O)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2cn[n-]n2)C1 ZINC001522373206 1266525034 /nfs/dbraw/zinc/52/50/34/1266525034.db2.gz BXWPFDNKQXXEHE-JKDFXYPNSA-N -1 3 362.434 0.063 10 0 FCAEHM C(Cc1nnc(N2CC[C@@H](C3CC3)C2)n1C[C@H]1CCCO1)c1nnn[n-]1 ZINC001525274427 1266749683 /nfs/dbraw/zinc/74/96/83/1266749683.db2.gz BMLKMWRPBOUNJK-ZIAGYGMSSA-N -1 3 358.450 0.992 10 0 FCAEHM C(Cc1nnc(N2CC[C@@H](C3CC3)C2)n1C[C@H]1CCCO1)c1nn[n-]n1 ZINC001525274427 1266749686 /nfs/dbraw/zinc/74/96/86/1266749686.db2.gz BMLKMWRPBOUNJK-ZIAGYGMSSA-N -1 3 358.450 0.992 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CC[C@@H](NC(=O)C3(N4CCOCC4)CCC3)C2)n1 ZINC001528886514 1267005429 /nfs/dbraw/zinc/00/54/29/1267005429.db2.gz HLXPRQCNDXGHTE-CQSZACIVSA-N -1 3 361.446 0.440 10 0 FCAEHM O=C(NCCC1CCN(C(=O)c2cnc[n-]c2=O)CC1)[C@]12C[C@H]1COC2 ZINC001531838809 1267152038 /nfs/dbraw/zinc/15/20/38/1267152038.db2.gz DUVLKILHBGXAGW-UGSOOPFHSA-N -1 3 360.414 0.577 10 0 FCAEHM CN1C(=O)COc2ccc(C(=O)NCCNC(=O)c3ccc([O-])cc3)cc21 ZINC001545667062 1267619413 /nfs/dbraw/zinc/61/94/13/1267619413.db2.gz GRORQMNMJYAFOD-UHFFFAOYSA-N -1 3 369.377 0.907 10 0 FCAEHM COc1nnc(NC(=O)C2=NOC3(CN(C(=O)OC(C)(C)C)C3)C2)[n-]1 ZINC001545819099 1267624143 /nfs/dbraw/zinc/62/41/43/1267624143.db2.gz ZNXQEWDKYKJXHX-UHFFFAOYSA-N -1 3 352.351 0.518 10 0 FCAEHM COc1nc(NC(=O)C2=NOC3(CN(C(=O)OC(C)(C)C)C3)C2)n[n-]1 ZINC001545819099 1267624150 /nfs/dbraw/zinc/62/41/50/1267624150.db2.gz ZNXQEWDKYKJXHX-UHFFFAOYSA-N -1 3 352.351 0.518 10 0 FCAEHM COc1n[n-]c(NC(=O)C2=NOC3(CN(C(=O)OC(C)(C)C)C3)C2)n1 ZINC001545819099 1267624154 /nfs/dbraw/zinc/62/41/54/1267624154.db2.gz ZNXQEWDKYKJXHX-UHFFFAOYSA-N -1 3 352.351 0.518 10 0 FCAEHM COC(=O)C1(NC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])CCC1 ZINC001545902964 1267629487 /nfs/dbraw/zinc/62/94/87/1267629487.db2.gz DTUNAJSTNWETAI-UHFFFAOYSA-N -1 3 361.329 0.699 10 0 FCAEHM COC(=O)C1(NC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)CCC1 ZINC001545902964 1267629491 /nfs/dbraw/zinc/62/94/91/1267629491.db2.gz DTUNAJSTNWETAI-UHFFFAOYSA-N -1 3 361.329 0.699 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H](CNC(=O)[C@]12C[C@H]1COC2)C(C)(C)C ZINC001338910076 1268119649 /nfs/dbraw/zinc/11/96/49/1268119649.db2.gz DNUULQUTTUAFDY-PZROIBLQSA-N -1 3 362.430 0.788 10 0 FCAEHM O=C([O-])CC[C@@H]1C[C@H](C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CO1 ZINC001339151442 1268177124 /nfs/dbraw/zinc/17/71/24/1268177124.db2.gz KFPVJXQMVDETGO-LSDHHAIUSA-N -1 3 367.446 0.023 10 0 FCAEHM C[C@H](OCC1CC1)C(=O)N1C[C@@H]2CCN(C(=O)c3cnc[n-]c3=O)[C@@H]2C1 ZINC001341064621 1268768096 /nfs/dbraw/zinc/76/80/96/1268768096.db2.gz KCTMYTUOFXPOGU-CORIIIEPSA-N -1 3 360.414 0.670 10 0 FCAEHM O=C(NCCCNS(=O)(=O)c1ccccc1Cl)c1cc(=O)[n-]cn1 ZINC001556374829 1268849480 /nfs/dbraw/zinc/84/94/80/1268849480.db2.gz QYJWSJCWQFPRNH-UHFFFAOYSA-N -1 3 370.818 0.934 10 0 FCAEHM CNS(=O)(=O)c1ccc(C)c(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)c1 ZINC001557319530 1268943607 /nfs/dbraw/zinc/94/36/07/1268943607.db2.gz AFJSWBKJVDTOCZ-UHFFFAOYSA-N -1 3 368.440 0.617 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)c1 ZINC001557895580 1268984434 /nfs/dbraw/zinc/98/44/34/1268984434.db2.gz IYARTCDIANLAEN-ROUUACIJSA-N -1 3 357.366 0.642 10 0 FCAEHM CCc1ccc([O-])c(C(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)OC)c1 ZINC001557886638 1268984501 /nfs/dbraw/zinc/98/45/01/1268984501.db2.gz SXFIJLNNSRTDRC-LBPRGKRZSA-N -1 3 355.412 0.757 10 0 FCAEHM COC(=O)[C@@H](CCC1OCCO1)NC(=O)c1nnc2ccccc2c1[O-] ZINC001558042556 1269008739 /nfs/dbraw/zinc/00/87/39/1269008739.db2.gz FBCKOSSZQFYTGC-GFCCVEGCSA-N -1 3 361.354 0.760 10 0 FCAEHM Cn1cc(-c2nn(C)cc2C(=O)N2CCC(Cc3nnn[n-]3)CC2)cn1 ZINC001558177432 1269044510 /nfs/dbraw/zinc/04/45/10/1269044510.db2.gz FENUMFYHHBHTNQ-UHFFFAOYSA-N -1 3 355.406 0.429 10 0 FCAEHM Cn1cc(-c2nn(C)cc2C(=O)N2CCC(Cc3nn[n-]n3)CC2)cn1 ZINC001558177432 1269044523 /nfs/dbraw/zinc/04/45/23/1269044523.db2.gz FENUMFYHHBHTNQ-UHFFFAOYSA-N -1 3 355.406 0.429 10 0 FCAEHM Cc1c([O-])nc(CCN(C)C(=O)C2=C(C)N(C)c3ncnn3[C@H]2C)[nH]c1=O ZINC001558532658 1269106457 /nfs/dbraw/zinc/10/64/57/1269106457.db2.gz QTMDTGUWZKAHBY-NSHDSACASA-N -1 3 373.417 0.774 10 0 FCAEHM Cc1c([O-])nc(CCN(C)C(=O)C2=C(C)N(C)c3ncnn3[C@@H]2C)[nH]c1=O ZINC001558532654 1269106516 /nfs/dbraw/zinc/10/65/16/1269106516.db2.gz QTMDTGUWZKAHBY-LLVKDONJSA-N -1 3 373.417 0.774 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)C(C)(C)NC(=O)COC(C)(C)C)[n-]1 ZINC001558965656 1269154995 /nfs/dbraw/zinc/15/49/95/1269154995.db2.gz FDVHNQAXCBCSFY-UHFFFAOYSA-N -1 3 369.422 0.308 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)c2cnnn2-c2cccc(F)c2)[n-]1 ZINC001558966158 1269156703 /nfs/dbraw/zinc/15/67/03/1269156703.db2.gz ZTMUERIOXGOQIH-UHFFFAOYSA-N -1 3 359.321 0.631 10 0 FCAEHM CCn1c(C)cc2n[n-]c(NC(=O)c3cnc(C(=O)OC)cn3)c2c1=O ZINC001559001243 1269158898 /nfs/dbraw/zinc/15/88/98/1269158898.db2.gz LOGLZASOMGHTJR-UHFFFAOYSA-N -1 3 356.342 0.882 10 0 FCAEHM C[C@@H](CC(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1O)C(F)(F)F ZINC001341752884 1269187055 /nfs/dbraw/zinc/18/70/55/1269187055.db2.gz PWXCJUZWONOAKK-FXBDTBDDSA-N -1 3 362.308 0.072 10 0 FCAEHM C[C@@H](CC(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C)n1ccnc1 ZINC001342191061 1269389790 /nfs/dbraw/zinc/38/97/90/1269389790.db2.gz BNFPZRAFPZLKQA-MBNYWOFBSA-N -1 3 358.402 0.607 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1sccc1S(=O)(=O)C(F)F ZINC001565611532 1269481642 /nfs/dbraw/zinc/48/16/42/1269481642.db2.gz IYFUWBQQXNIMFD-ZETCQYMHSA-N -1 3 365.383 0.986 10 0 FCAEHM COc1ccc(OC)c(C2=NO[C@H](C(=O)NCCc3c(C)[n-][nH]c3=O)C2)c1 ZINC001565612220 1269482696 /nfs/dbraw/zinc/48/26/96/1269482696.db2.gz HANQGWXEYRBSDO-WBMJQRKESA-N -1 3 374.397 0.825 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1CCN(C)S(C)(=O)=O ZINC001566010657 1269547448 /nfs/dbraw/zinc/54/74/48/1269547448.db2.gz NAUXYKQTUGSILY-QWHCGFSZSA-N -1 3 370.475 0.261 10 0 FCAEHM C[C@H](CO[N-]C(=O)[C@H]1CCC2N=NC(=O)N2C1)NC(=O)OC(C)(C)C ZINC001566455924 1269644852 /nfs/dbraw/zinc/64/48/52/1269644852.db2.gz WEDATJOZKOADEQ-ZJUUUORDSA-N -1 3 355.395 0.507 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CC(n3cc(C(=O)OC)nn3)C2)c1 ZINC001567414435 1269693525 /nfs/dbraw/zinc/69/35/25/1269693525.db2.gz RKGBJTBZMLOJPO-UHFFFAOYSA-N -1 3 371.353 0.592 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(C(=O)c3ccc(CO)nc3)CC2)n[n-]1 ZINC001568364574 1269730017 /nfs/dbraw/zinc/73/00/17/1269730017.db2.gz NVUGYLGFZCSAQU-UHFFFAOYSA-N -1 3 359.386 0.889 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(C(=O)c3ccc(CO)nc3)CC2)[n-]1 ZINC001568364574 1269730020 /nfs/dbraw/zinc/73/00/20/1269730020.db2.gz NVUGYLGFZCSAQU-UHFFFAOYSA-N -1 3 359.386 0.889 10 0 FCAEHM CC(C)(c1nnc(C(=O)[N-]c2ccc3c(c2)C(=O)NC3)o1)S(C)(=O)=O ZINC001570010451 1269829042 /nfs/dbraw/zinc/82/90/42/1269829042.db2.gz NIUCLXQEOGEFRR-UHFFFAOYSA-N -1 3 364.383 0.845 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)N1CC(CCO)(NC(=O)c2ccccc2[O-])C1 ZINC001571879612 1269968853 /nfs/dbraw/zinc/96/88/53/1269968853.db2.gz MRLHUOXOIYTTHL-CJNGLKHVSA-N -1 3 362.426 0.901 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)NC[C@@H](O)CN(C)C(=O)c1ccccc1[O-] ZINC001572462823 1270057560 /nfs/dbraw/zinc/05/75/60/1270057560.db2.gz AHESMRCYEKLGMH-XPKDYRNWSA-N -1 3 350.415 0.756 10 0 FCAEHM C[C@]12COC[C@H]1CN(c1nnc(-c3cnc[n-]c3=O)n1C[C@H]1CCOC1)C2 ZINC001344183874 1270110740 /nfs/dbraw/zinc/11/07/40/1270110740.db2.gz NOVZZHRTAZJKHY-VFVRVIDISA-N -1 3 372.429 0.950 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CC[C@H](CNC(=O)CC2(O)CCC2)C1 ZINC001344269905 1270125032 /nfs/dbraw/zinc/12/50/32/1270125032.db2.gz HPUAFXFYKPMMMD-QWHCGFSZSA-N -1 3 362.430 0.810 10 0 FCAEHM COCCC1(C(=O)N[C@@H]2CN(C(=O)c3c(C)nc[n-]c3=O)C[C@H]2C)CC1 ZINC001572898609 1270318817 /nfs/dbraw/zinc/31/88/17/1270318817.db2.gz ZFFGTEQPZJAXJQ-DGCLKSJQSA-N -1 3 362.430 0.884 10 0 FCAEHM COCCC1(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3cnc[n-]c3=O)C2)CCC1 ZINC001572902869 1270327544 /nfs/dbraw/zinc/32/75/44/1270327544.db2.gz XGIXMLPADXGLEG-TZMCWYRMSA-N -1 3 362.430 0.966 10 0 FCAEHM CCO[C@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001572932051 1270362595 /nfs/dbraw/zinc/36/25/95/1270362595.db2.gz RUENWRJUWXRGRN-IVMMDQJWSA-N -1 3 357.414 0.954 10 0 FCAEHM C[C@@H](CCC(C)(C)C)C(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1 ZINC001573007157 1270490772 /nfs/dbraw/zinc/49/07/72/1270490772.db2.gz JCFZHLRQKZDFEA-YUTCNCBUSA-N -1 3 364.446 0.946 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](NC(=O)C2(C(F)F)CCC2)[C@@H](O)C1 ZINC001573024884 1270532999 /nfs/dbraw/zinc/53/29/99/1270532999.db2.gz CAXFOGYPWREJBU-ZJUUUORDSA-N -1 3 370.356 0.228 10 0 FCAEHM O=C(N[C@@H]1CC[C@H](CNC(=O)C2(F)CCOCC2)C1)c1cnc[n-]c1=O ZINC001573180696 1270639939 /nfs/dbraw/zinc/63/99/39/1270639939.db2.gz XGICTVMJUHDNLO-NWDGAFQWSA-N -1 3 366.393 0.716 10 0 FCAEHM C[C@@H]1CCN(C(=O)c2cnc[n-]c2=O)[C@H](CNC(=O)COCC2CC2)C1 ZINC001573233090 1270700180 /nfs/dbraw/zinc/70/01/80/1270700180.db2.gz VGEPFVKLAPSSPS-OCCSQVGLSA-N -1 3 362.430 0.966 10 0 FCAEHM CCC(=O)NCc1nc(CNC(=O)[C@@H]2C[C@H]2c2ccnn2C)cc(=O)[n-]1 ZINC001573247826 1270708881 /nfs/dbraw/zinc/70/88/81/1270708881.db2.gz SLXFDPYUOPDZHB-VXGBXAGGSA-N -1 3 358.402 0.362 10 0 FCAEHM CCCN(C)CC(=O)N1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H]1CC ZINC001573264813 1270718257 /nfs/dbraw/zinc/71/82/57/1270718257.db2.gz DJCZWWCWRKPCMA-QWHCGFSZSA-N -1 3 351.451 0.875 10 0 FCAEHM CO[C@H](C(=O)NC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C)C1CCC1 ZINC001573880050 1270918256 /nfs/dbraw/zinc/91/82/56/1270918256.db2.gz CXUIBPWSMLMFSL-KYOSRNDESA-N -1 3 362.430 0.822 10 0 FCAEHM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccccc1[O-])S(C)(=O)=O ZINC001574294316 1271169503 /nfs/dbraw/zinc/16/95/03/1271169503.db2.gz RMIGDHMJTBRVIR-RFHZTLPTSA-N -1 3 366.439 0.687 10 0 FCAEHM O=C(NCCCN(C(=O)c1cnc[n-]c1=O)C1CC1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001577778984 1274870640 /nfs/dbraw/zinc/87/06/40/1274870640.db2.gz XNKXJMHCOUMNDO-WALBABNVSA-N -1 3 372.425 0.717 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccnc(O[C@@H]2CCOC2)c1 ZINC001603293313 1287347499 /nfs/dbraw/zinc/34/74/99/1287347499.db2.gz VYZYNTKDPMRXDY-UONOGXRCSA-N -1 3 371.397 0.754 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccnc(O[C@@H]2CCOC2)c1 ZINC001603293314 1287348350 /nfs/dbraw/zinc/34/83/50/1287348350.db2.gz VYZYNTKDPMRXDY-ZIAGYGMSSA-N -1 3 371.397 0.754 10 0 FCAEHM CC[C@@H](CNC(=O)[C@@H]1CCO[C@H]1c1ccncc1)NC(=O)c1cn[n-]n1 ZINC001582460994 1281579696 /nfs/dbraw/zinc/57/96/96/1281579696.db2.gz BGNWDMXYXAREKG-GUTXKFCHSA-N -1 3 358.402 0.602 10 0 FCAEHM C[C@H](CNC(=O)c1cnc[n-]c1=O)CNC(=O)[C@@H]1C[C@H]1c1ccnn1C ZINC001582841841 1282040591 /nfs/dbraw/zinc/04/05/91/1282040591.db2.gz CGKKUFVBQUFYGN-QJPTWQEYSA-N -1 3 358.402 0.202 10 0 FCAEHM NC(=O)CSc1ccccc1C(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001583369028 1282084880 /nfs/dbraw/zinc/08/48/80/1282084880.db2.gz KNCRUPMOXWEDSX-UHFFFAOYSA-N -1 3 350.425 0.978 10 0 FCAEHM CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)C1 ZINC001583368660 1282085642 /nfs/dbraw/zinc/08/56/42/1282085642.db2.gz GAIPIPDMCUYOEV-SNVBAGLBSA-N -1 3 370.431 0.723 10 0 FCAEHM Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001583368401 1282085789 /nfs/dbraw/zinc/08/57/89/1282085789.db2.gz CLQPWXGRBGZDSA-UHFFFAOYSA-N -1 3 374.426 0.934 10 0 FCAEHM C[C@H](CNC(=O)[C@@H]1CC[C@H](Cc2ccccc2)O1)NC(=O)c1cn[n-]n1 ZINC001583819978 1282115275 /nfs/dbraw/zinc/11/52/75/1282115275.db2.gz XYPPYZLPJVORDU-XPKDYRNWSA-N -1 3 357.414 0.830 10 0 FCAEHM CC(C)CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001631833165 1282120477 /nfs/dbraw/zinc/12/04/77/1282120477.db2.gz UJXLHWMYRXWBGJ-DOMZBBRYSA-N -1 3 374.445 0.928 10 0 FCAEHM CCS(=O)(=O)c1c[nH]c(=O)c(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)c1 ZINC001631833107 1282120890 /nfs/dbraw/zinc/12/08/90/1282120890.db2.gz SQQHNLRNXSGLLM-SECBINFHSA-N -1 3 366.399 0.639 10 0 FCAEHM Cc1cc(=O)[n-]c(CNC(=O)[C@@H](C)[C@H](O)CN(C)C(=O)OC(C)(C)C)n1 ZINC001631852385 1282127212 /nfs/dbraw/zinc/12/72/12/1282127212.db2.gz WLLODUSIBNRRFT-NWDGAFQWSA-N -1 3 368.434 0.971 10 0 FCAEHM CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2s[n-]c(=O)c2Cl)CC1 ZINC001632367673 1282171853 /nfs/dbraw/zinc/17/18/53/1282171853.db2.gz WIOBMFODVMFMAP-SECBINFHSA-N -1 3 358.851 0.881 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C1(C(=O)OC(C)(C)C)CCOCC1 ZINC001585162980 1282207235 /nfs/dbraw/zinc/20/72/35/1282207235.db2.gz CCPAKSYFOPFKFQ-GFCCVEGCSA-N -1 3 353.419 0.753 10 0 FCAEHM CS(=O)(=O)N[C@H]1CCN(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)C1 ZINC001585857876 1282248195 /nfs/dbraw/zinc/24/81/95/1282248195.db2.gz MHUYNBIFKCMCLF-VIFPVBQESA-N -1 3 369.830 0.945 10 0 FCAEHM CCOC(=O)[C@H]1CCCN(CC(=O)N(Cc2nn[n-]n2)CC(C)C)C1 ZINC001633524479 1282250549 /nfs/dbraw/zinc/25/05/49/1282250549.db2.gz UCWABVCAOYSFFB-ZDUSSCGKSA-N -1 3 352.439 0.459 10 0 FCAEHM C[C@H](NS(=O)(=O)c1cccs1)C(=O)NCCCc1c[n-][nH]c1=O ZINC001634139062 1282304064 /nfs/dbraw/zinc/30/40/64/1282304064.db2.gz XIBAGJZLQLTJEU-UWVGGRQHSA-N -1 3 358.445 0.043 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)[C@@]2(c3ccc(OC)cc3)C[C@H](O)C2)n[n-]1 ZINC001634253832 1282313805 /nfs/dbraw/zinc/31/38/05/1282313805.db2.gz SYIABMKNEGGMAL-QQVUYCAZSA-N -1 3 360.370 0.560 10 0 FCAEHM Cn1nnc(C(=O)Nc2[n-]ncc2S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC001587101714 1282330178 /nfs/dbraw/zinc/33/01/78/1282330178.db2.gz WRWBLESWJUREER-UHFFFAOYSA-N -1 3 367.778 0.672 10 0 FCAEHM Cn1nnc(C(=O)Nc2n[n-]cc2S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC001587101714 1282330189 /nfs/dbraw/zinc/33/01/89/1282330189.db2.gz WRWBLESWJUREER-UHFFFAOYSA-N -1 3 367.778 0.672 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)c3ccc(S(C)(=O)=O)o3)CC2)n1 ZINC001634977486 1282369452 /nfs/dbraw/zinc/36/94/52/1282369452.db2.gz FHTUMZANWXGNPN-UHFFFAOYSA-N -1 3 366.399 0.450 10 0 FCAEHM COc1cc(OC)nc(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)n1 ZINC001635658532 1282423473 /nfs/dbraw/zinc/42/34/73/1282423473.db2.gz ZHIHFAOXVVRIGG-UHFFFAOYSA-N -1 3 372.381 0.798 10 0 FCAEHM C[C@@H](NC(=O)[C@@H]1COCCN1CC(F)F)c1nc(C(F)(F)F)n[n-]1 ZINC001636091310 1282459364 /nfs/dbraw/zinc/45/93/64/1282459364.db2.gz CAIMOZIJYHNYRX-RQJHMYQMSA-N -1 3 357.283 0.967 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccnc(N2CCCC2)n1 ZINC001636854765 1282542309 /nfs/dbraw/zinc/54/23/09/1282542309.db2.gz GZOICNRRJCUUHV-GFCCVEGCSA-N -1 3 355.402 0.581 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)[C@@H]2C[C@H](c3ccccc3)OC2=O)[n-]1 ZINC001638577555 1282706276 /nfs/dbraw/zinc/70/62/76/1282706276.db2.gz DELZWFVVVDEHBP-NWDGAFQWSA-N -1 3 358.354 0.902 10 0 FCAEHM CCOC(=O)c1nc(CNC(=O)[C@@H]2C[C@H](c3ccccc3)OC2=O)n[n-]1 ZINC001638577555 1282706281 /nfs/dbraw/zinc/70/62/81/1282706281.db2.gz DELZWFVVVDEHBP-NWDGAFQWSA-N -1 3 358.354 0.902 10 0 FCAEHM Cc1cc2n[n-]c(NC(=O)c3ccnc(N4CCOCC4)n3)c2c(=O)n1C ZINC001638674100 1282714445 /nfs/dbraw/zinc/71/44/45/1282714445.db2.gz WBIWOIASSWETSF-UHFFFAOYSA-N -1 3 369.385 0.449 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)N[C@]12CC(=O)N[C@H]1CCCC2 ZINC001638868656 1282728316 /nfs/dbraw/zinc/72/83/16/1282728316.db2.gz LFVCHQXJTSFMGV-NVGCLXPQSA-N -1 3 360.418 0.261 10 0 FCAEHM Cc1ccc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)cc1S(N)(=O)=O ZINC001639639516 1282800009 /nfs/dbraw/zinc/80/00/09/1282800009.db2.gz DTIKLVAAQJFPGX-LLVKDONJSA-N -1 3 350.400 0.701 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccnc(N2CCCCC2)n1 ZINC001640104337 1282837170 /nfs/dbraw/zinc/83/71/70/1282837170.db2.gz BMBVENVIWBOMHE-ZDUSSCGKSA-N -1 3 369.429 0.971 10 0 FCAEHM COc1cccc(C[C@H](O)C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)c1 ZINC001640110568 1282838807 /nfs/dbraw/zinc/83/88/07/1282838807.db2.gz SHOVTKJGCWXOKN-ZFWWWQNUSA-N -1 3 358.398 0.489 10 0 FCAEHM C[C@H](NC(=O)C1=CS(=O)(=O)CCC1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001640318395 1282854745 /nfs/dbraw/zinc/85/47/45/1282854745.db2.gz ZBTPTKXVFNVLJV-QWRGUYRKSA-N -1 3 367.427 0.959 10 0 FCAEHM Cc1oc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)cc1S(=O)(=O)N(C)C ZINC001640594652 1282878529 /nfs/dbraw/zinc/87/85/29/1282878529.db2.gz GIMBGPVDESGQFO-SNVBAGLBSA-N -1 3 368.415 0.897 10 0 FCAEHM NS(=O)(=O)c1cc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)ccc1F ZINC001640595733 1282880852 /nfs/dbraw/zinc/88/08/52/1282880852.db2.gz XOFYWVVSYGMDMG-SECBINFHSA-N -1 3 354.363 0.532 10 0 FCAEHM Cc1cc(C(=O)NCCCc2c[n-][nH]c2=O)nn1-c1nc(C)cc(C)n1 ZINC001641483859 1282956560 /nfs/dbraw/zinc/95/65/60/1282956560.db2.gz REYSBQURCYAUQZ-CYBMUJFWSA-N -1 3 355.402 0.829 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CC(CC2CCOCC2)C1 ZINC001641834760 1282974929 /nfs/dbraw/zinc/97/49/29/1282974929.db2.gz XQJFIDLRZJAKQV-UHFFFAOYSA-N -1 3 371.459 0.845 10 0 FCAEHM COCCOCCc1nc(C(=O)Nc2cccc(Cc3nnn[n-]3)c2)c[nH]1 ZINC001642173186 1282991592 /nfs/dbraw/zinc/99/15/92/1282991592.db2.gz JFORSXCOTHEYJE-UHFFFAOYSA-N -1 3 371.401 0.971 10 0 FCAEHM COCCOCCc1nc(C(=O)Nc2cccc(Cc3nn[n-]n3)c2)c[nH]1 ZINC001642173186 1282991605 /nfs/dbraw/zinc/99/16/05/1282991605.db2.gz JFORSXCOTHEYJE-UHFFFAOYSA-N -1 3 371.401 0.971 10 0 FCAEHM Cc1ccc(S(=O)(=O)NCCC(=O)NCCCc2c[n-][nH]c2=O)cc1 ZINC001642446308 1283011892 /nfs/dbraw/zinc/01/18/92/1283011892.db2.gz WVAHSMMJVOQUPS-CYBMUJFWSA-N -1 3 366.443 0.292 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)NC[C@@H](CO)NC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001680316995 1283413873 /nfs/dbraw/zinc/41/38/73/1283413873.db2.gz UUHYSJIPRANRIU-AEGPPILISA-N -1 3 362.430 0.063 10 0 FCAEHM CC[C@H](C)CC(=O)N[C@@H]1CN(C(=O)CCc2c(C)nc[n-]c2=O)C[C@@H]1O ZINC001683439163 1283984962 /nfs/dbraw/zinc/98/49/62/1283984962.db2.gz KQZFUKLCARNOTG-GLQYFDAESA-N -1 3 364.446 0.547 10 0 FCAEHM Cn1cc(N2CCN(C(=O)N[C@@H]3CCN(c4cc(=O)[n-]cn4)C3)CC2)cn1 ZINC001684555665 1284199660 /nfs/dbraw/zinc/19/96/60/1284199660.db2.gz DHNAEWCOVUGXLP-CYBMUJFWSA-N -1 3 372.433 0.026 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CC[C@@H](Nc2ncccn2)C1 ZINC001684561294 1284200834 /nfs/dbraw/zinc/20/08/34/1284200834.db2.gz MNLZFNUYIYCPHW-OLZOCXBDSA-N -1 3 370.417 0.447 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)CC(C)(C)C2CC2)C1 ZINC001719093838 1287708201 /nfs/dbraw/zinc/70/82/01/1287708201.db2.gz VWVUERGSAMRSDG-CHWSQXEVSA-N -1 3 362.430 0.618 10 0 FCAEHM C[C@@H](CC(F)(F)F)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001719108118 1287755709 /nfs/dbraw/zinc/75/57/09/1287755709.db2.gz PEJDQOGRDLLGEB-FXBDTBDDSA-N -1 3 362.308 0.072 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CN(C(=O)CCC(C)(C)C)C[C@H]1O ZINC001719125174 1287786992 /nfs/dbraw/zinc/78/69/92/1287786992.db2.gz CAVPQGGRQYENMN-VXGBXAGGSA-N -1 3 350.419 0.618 10 0 FCAEHM O=C(CCOCC1CC1)N1C[C@H]2CCN(C(=O)c3cnc[n-]c3=O)C[C@H]21 ZINC001702409922 1285650779 /nfs/dbraw/zinc/65/07/79/1285650779.db2.gz JZJOSBDNPSWCJS-UKRRQHHQSA-N -1 3 360.414 0.672 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NCc1nc(CNC(=O)CC2(O)CCC2)cc(=O)[n-]1 ZINC001702604550 1285751339 /nfs/dbraw/zinc/75/13/39/1285751339.db2.gz UWCJFFXXJGBALD-DGCLKSJQSA-N -1 3 362.430 0.766 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@H](O)C(C)C)n1 ZINC001702604441 1285751492 /nfs/dbraw/zinc/75/14/92/1285751492.db2.gz QMBZWTFHCSXCAN-IXPVHAAZSA-N -1 3 350.419 0.478 10 0 FCAEHM CCNC(=O)CC(=O)N[C@H]1CCN(C(=O)c2c(C)nc[n-]c2=O)[C@@H]1CC ZINC001702623060 1285755993 /nfs/dbraw/zinc/75/59/93/1285755993.db2.gz YZIGGRKMJVSAOA-NWDGAFQWSA-N -1 3 363.418 0.126 10 0 FCAEHM CC/C(C)=C\C(=O)N[C@@H]1CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C[C@@H]1O ZINC001735919841 1289029502 /nfs/dbraw/zinc/02/95/02/1289029502.db2.gz JHERGRMADVAOSP-OAAFTFSASA-N -1 3 360.414 0.717 10 0 FCAEHM CCO[C@@H](C(=O)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@H]1C)C1CCOCC1 ZINC001702710148 1285808463 /nfs/dbraw/zinc/80/84/63/1285808463.db2.gz RQLIUXFYWBBUNU-OSAQELSMSA-N -1 3 365.434 0.356 10 0 FCAEHM CO[C@H](C)CC(=O)NCC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001702830566 1285923267 /nfs/dbraw/zinc/92/32/67/1285923267.db2.gz DORCRVMLNMXIFU-JHJVBQTASA-N -1 3 350.419 0.822 10 0 FCAEHM CCC[C@H](OC)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001703049582 1286078857 /nfs/dbraw/zinc/07/88/57/1286078857.db2.gz IKIORUNLMGDNDZ-IEBDPFPHSA-N -1 3 363.340 0.739 10 0 FCAEHM CCN(CCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(=O)c1c(C)nc[n-]c1=O ZINC001703721009 1286133444 /nfs/dbraw/zinc/13/34/44/1286133444.db2.gz WGMRZLNNZGENCC-AQRJEWBLSA-N -1 3 374.441 0.882 10 0 FCAEHM COC(=O)[C@@H]1CO[C@H](CCC(=O)N2CCC(Cc3nnn[n-]3)CC2)C1 ZINC001593935666 1286221910 /nfs/dbraw/zinc/22/19/10/1286221910.db2.gz JDNGRTGATLQCJU-QWHCGFSZSA-N -1 3 351.407 0.339 10 0 FCAEHM COC(=O)[C@@H]1CO[C@H](CCC(=O)N2CCC(Cc3nn[n-]n3)CC2)C1 ZINC001593935666 1286221917 /nfs/dbraw/zinc/22/19/17/1286221917.db2.gz JDNGRTGATLQCJU-QWHCGFSZSA-N -1 3 351.407 0.339 10 0 FCAEHM O=C(N[C@@H](CNC(=O)[C@]12C[C@H]1COC2)c1ccccc1)c1cnc[n-]c1=O ZINC001704453576 1286252115 /nfs/dbraw/zinc/25/21/15/1286252115.db2.gz COBMWKKGJYTDBZ-RFUYNDQBSA-N -1 3 368.393 0.806 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)[C@H]1CCCNC1=O ZINC001596982096 1286322946 /nfs/dbraw/zinc/32/29/46/1286322946.db2.gz HAJUVUPGYJUOOW-QMMMGPOBSA-N -1 3 365.864 0.322 10 0 FCAEHM O=C(NCC=CCNC(=O)[C@]12C[C@H]1COC2)c1cc(=O)c2ccccc2[n-]1 ZINC001705052888 1286342282 /nfs/dbraw/zinc/34/22/82/1286342282.db2.gz MVWHOBVRKGNNLZ-UARYHAGQSA-N -1 3 367.405 0.967 10 0 FCAEHM CCOC(=O)c1cc(NC(=O)c2c3c(nn2C)CCS(=O)(=O)C3)[n-]n1 ZINC001598368634 1286387567 /nfs/dbraw/zinc/38/75/67/1286387567.db2.gz CAPILKMXEGNQIE-UHFFFAOYSA-N -1 3 367.387 0.043 10 0 FCAEHM CCOC(=O)c1cc(NC(=O)c2c3c(nn2C)CCS(=O)(=O)C3)n[n-]1 ZINC001598368634 1286387573 /nfs/dbraw/zinc/38/75/73/1286387573.db2.gz CAPILKMXEGNQIE-UHFFFAOYSA-N -1 3 367.387 0.043 10 0 FCAEHM CC/C=C(/C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nnc3ccccc3c2[O-])C1 ZINC001719136632 1287805402 /nfs/dbraw/zinc/80/54/02/1287805402.db2.gz RPJDKKKTVUWBET-JDBPXVJJSA-N -1 3 370.409 0.993 10 0 FCAEHM CCC[C@H](OC)C(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1C ZINC001719193431 1287854408 /nfs/dbraw/zinc/85/44/08/1287854408.db2.gz VGSPQTGBMGASJQ-RTXFEEFZSA-N -1 3 350.419 0.882 10 0 FCAEHM C[C@H](CC(N)=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001719210475 1287870398 /nfs/dbraw/zinc/87/03/98/1287870398.db2.gz HEWUPRSQONOKKJ-OSAQELSMSA-N -1 3 370.413 0.041 10 0 FCAEHM CO[C@@H]1CN(C(=O)C[C@@H](C)SC)C[C@H]1NC(=O)c1cnc[n-]c1=O ZINC001719233080 1287912403 /nfs/dbraw/zinc/91/24/03/1287912403.db2.gz NQUDKBDSBKXURU-YUSALJHKSA-N -1 3 354.432 0.279 10 0 FCAEHM CCCC[C@H](C)C(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@H](OC)C1 ZINC001719233293 1287914420 /nfs/dbraw/zinc/91/44/20/1287914420.db2.gz WLZDVSWTJDCJLR-IACUBPJLSA-N -1 3 350.419 0.964 10 0 FCAEHM O=C(N[C@@H]1CN(C(=O)CCOCC(F)F)C[C@@H]1O)c1ccccc1[O-] ZINC001719253566 1287954233 /nfs/dbraw/zinc/95/42/33/1287954233.db2.gz XEJTWKSVEHQVBN-YPMHNXCESA-N -1 3 358.341 0.366 10 0 FCAEHM C[C@@H](CC(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1)CC(C)(C)C ZINC001719284084 1288024917 /nfs/dbraw/zinc/02/49/17/1288024917.db2.gz DLZXGCIOSYTIOG-YUTCNCBUSA-N -1 3 364.446 0.946 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CC[C@H](CNC(=O)[C@]2(F)CCOC2)C1 ZINC001736118351 1289156956 /nfs/dbraw/zinc/15/69/56/1289156956.db2.gz RVQZVDBHNQPKHH-JKDFXYPNSA-N -1 3 366.393 0.634 10 0 FCAEHM Cc1n[nH]c(C)c1[C@H](C)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC001719465497 1288131174 /nfs/dbraw/zinc/13/11/74/1288131174.db2.gz YFPVZPKKNWAMGG-TVYUQYBPSA-N -1 3 359.434 0.963 10 0 FCAEHM NC(=O)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC001736119471 1289158206 /nfs/dbraw/zinc/15/82/06/1289158206.db2.gz MLOBSSOVCGZJPE-WDEREUQCSA-N -1 3 356.382 0.028 10 0 FCAEHM CC[C@H](C)CC(=O)NCc1nc(CNC(=O)[C@]23C[C@H]2COC3)cc(=O)[n-]1 ZINC001719522580 1288166462 /nfs/dbraw/zinc/16/64/62/1288166462.db2.gz QLOHPKNGUZRVIG-PZROIBLQSA-N -1 3 362.430 0.887 10 0 FCAEHM Cc1nc(C)c(CC(=O)N[C@@H](C)CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c(=O)[n-]1 ZINC001720928690 1288275112 /nfs/dbraw/zinc/27/51/12/1288275112.db2.gz XPVSBEISOMHYJY-RRFMXLFISA-N -1 3 374.441 0.386 10 0 FCAEHM C[C@@H](CNC(=O)c1cnc[n-]c1=O)CNC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001721600803 1288356727 /nfs/dbraw/zinc/35/67/27/1288356727.db2.gz IMEDNXCUVUUBNP-KWCYVHTRSA-N -1 3 355.398 0.863 10 0 FCAEHM Cn1cc([C@@H]2C[C@H]2C(=O)NCC2(NC(=O)c3cn[n-]n3)CCCCC2)cn1 ZINC001726058918 1288492382 /nfs/dbraw/zinc/49/23/82/1288492382.db2.gz IUYQBNOWBVYCNH-UONOGXRCSA-N -1 3 371.445 0.891 10 0 FCAEHM O=C(N[C@H](CO)CNC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F)c1cn[n-]n1 ZINC001735273667 1288714565 /nfs/dbraw/zinc/71/45/65/1288714565.db2.gz YBKXBQROPXMOTR-AEJSXWLSSA-N -1 3 363.340 0.380 10 0 FCAEHM O=C(N[C@H](CO)CNC(=O)[C@@H]1C[C@H]1c1cccnc1)c1ccccc1[O-] ZINC001735293034 1288723710 /nfs/dbraw/zinc/72/37/10/1288723710.db2.gz DKQAIDIFYNKYSP-CWRNSKLLSA-N -1 3 355.394 0.798 10 0 FCAEHM CN(C[C@H](O)CNC(=O)c1cccc2n[n-]nc21)C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001735414477 1288733159 /nfs/dbraw/zinc/73/31/59/1288733159.db2.gz UMFVGBXPBQDRBD-GUTXKFCHSA-N -1 3 371.441 0.943 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NCCCC[C@H](C)NC(=O)[C@]12C[C@H]1COC2 ZINC001735662324 1288764622 /nfs/dbraw/zinc/76/46/22/1288764622.db2.gz OCXCJHIVYKWNKG-FNFWKMNBSA-N -1 3 362.430 0.932 10 0 FCAEHM CCN(C)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])[C@@H]2C1 ZINC001735702061 1288774990 /nfs/dbraw/zinc/77/49/90/1288774990.db2.gz LFWCDQQKJBTAAU-QWHCGFSZSA-N -1 3 363.462 0.827 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)NCc1nc(CNC(=O)CSC)cc(=O)[n-]1 ZINC001736171576 1289188245 /nfs/dbraw/zinc/18/82/45/1289188245.db2.gz FJSQFHLIUZPUKL-BMIGLBTASA-N -1 3 368.459 0.593 10 0 FCAEHM C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1CCNC(=O)c1ccccc1[O-] ZINC001736394743 1289307171 /nfs/dbraw/zinc/30/71/71/1289307171.db2.gz PSPOKZUTYYAZOV-GBOPCIDUSA-N -1 3 359.426 0.728 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1CCNC(=O)[C@H]1CCC(=O)N1 ZINC001736400662 1289313177 /nfs/dbraw/zinc/31/31/77/1289313177.db2.gz YZMMQMXGQSVBFO-UMVBOHGHSA-N -1 3 359.426 0.885 10 0 FCAEHM CSc1ncc(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)c(=O)[n-]1 ZINC001611093845 1289629274 /nfs/dbraw/zinc/62/92/74/1289629274.db2.gz GXPCDGSEJIFCDM-LBPRGKRZSA-N -1 3 367.475 0.577 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)c2cc(Br)nn2C)[n-]1 ZINC001611154030 1289632769 /nfs/dbraw/zinc/63/27/69/1289632769.db2.gz AORBTOADDJICSU-UHFFFAOYSA-N -1 3 357.168 0.407 10 0 FCAEHM O=C(CNC(=O)c1ccc([O-])cc1)N1CCCS(=O)(=O)C[C@H]1C1CC1 ZINC001611671159 1289665864 /nfs/dbraw/zinc/66/58/64/1289665864.db2.gz MJCNJZGLMSSIRG-HNNXBMFYSA-N -1 3 366.439 0.548 10 0 FCAEHM C[C@H](CN(C)C(=O)[C@]12C[C@H]1COC2)NC(=O)c1nnc2ccccc2c1[O-] ZINC001701627207 1289674600 /nfs/dbraw/zinc/67/46/00/1289674600.db2.gz GIIVBSLEEKRQFK-UFYHVXEKSA-N -1 3 370.409 0.949 10 0 FCAEHM O=C(NC[C@H](CO)NC(=O)[C@@H]1C[C@H]1C1CC1)c1c[n-]c2ccccc2c1=O ZINC001701701093 1289686062 /nfs/dbraw/zinc/68/60/62/1289686062.db2.gz KRGRBGCMBGQIPR-VHDGCEQUSA-N -1 3 369.421 0.781 10 0 FCAEHM CN(C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1ccco1)C(=O)c1cnc[n-]c1=O ZINC001701840856 1289701868 /nfs/dbraw/zinc/70/18/68/1289701868.db2.gz SMPMVNZABJXWNG-QJPTWQEYSA-N -1 3 360.370 0.128 10 0 FCAEHM CC[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2nnc3ccccc3c2[O-])C[C@H]1O ZINC001702157532 1289760647 /nfs/dbraw/zinc/76/06/47/1289760647.db2.gz LWQBIQYVVIXHLI-ZLKJLUDKSA-N -1 3 358.398 0.683 10 0 FCAEHM CC[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2nnc3ccccc3c2[O-])C[C@H]1O ZINC001702157530 1289760955 /nfs/dbraw/zinc/76/09/55/1289760955.db2.gz LWQBIQYVVIXHLI-LERXQTSPSA-N -1 3 358.398 0.683 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C1CCN(C(=O)c2cccnc2)CC1 ZINC001615962826 1289765660 /nfs/dbraw/zinc/76/56/60/1289765660.db2.gz ISRBADRNWMWNCF-HNNXBMFYSA-N -1 3 357.414 0.562 10 0 FCAEHM CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NCCc1c(C)[n-][nH]c1=O ZINC001615925739 1289766252 /nfs/dbraw/zinc/76/62/52/1289766252.db2.gz NQRFLOULBZUYFJ-KOOLHJLFSA-N -1 3 352.460 0.872 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])N1CC[C@@](O)(C2CC2)C1 ZINC001617975872 1289876561 /nfs/dbraw/zinc/87/65/61/1289876561.db2.gz CKYXXRXRTASCFL-SFHVURJKSA-N -1 3 359.357 0.861 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c([O-])cc1=O)N1CC[C@@](O)(C2CC2)C1 ZINC001617975872 1289876576 /nfs/dbraw/zinc/87/65/76/1289876576.db2.gz CKYXXRXRTASCFL-SFHVURJKSA-N -1 3 359.357 0.861 10 0 FCAEHM C[C@H](CC(N)=O)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC001702251940 1289912730 /nfs/dbraw/zinc/91/27/30/1289912730.db2.gz DYXJIKHXXLCFQQ-GIPNMCIBSA-N -1 3 358.402 0.046 10 0 FCAEHM CCOCCO[C@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001739398603 1289915517 /nfs/dbraw/zinc/91/55/17/1289915517.db2.gz YSRDSFKHCDGPJE-XNRPHZJLSA-N -1 3 366.414 0.135 10 0 FCAEHM CC(=O)NCC(=O)N1C[C@@H](C)[C@H](NC(=O)c2nnc3ccccc3c2[O-])C1 ZINC001702286556 1289965765 /nfs/dbraw/zinc/96/57/65/1289965765.db2.gz NUNYJYZAFPWOPY-QMTHXVAHSA-N -1 3 371.397 0.048 10 0 FCAEHM COc1ccc(C(=O)[N-]C(=O)CN2CCC[C@H](c3cn(C)nn3)C2)cc1 ZINC001620663120 1290014659 /nfs/dbraw/zinc/01/46/59/1290014659.db2.gz SSPSZANOCFAPJC-AWEZNQCLSA-N -1 3 357.414 0.960 10 0 FCAEHM CO[C@@H]1CN(C(=O)[C@H](C)CSC)C[C@H]1NC(=O)c1c(C)nc[n-]c1=O ZINC001702332724 1290066335 /nfs/dbraw/zinc/06/63/35/1290066335.db2.gz DXGIZPKSAKGKLX-YUSALJHKSA-N -1 3 368.459 0.445 10 0 FCAEHM CCOC(=O)N1CSC[C@@H]1C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC001622743866 1290182491 /nfs/dbraw/zinc/18/24/91/1290182491.db2.gz MSWXGXPVAANYGD-CYBMUJFWSA-N -1 3 367.427 0.770 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NCC[C@H]2CNC(=O)C2)ccc1F ZINC001625643054 1290357446 /nfs/dbraw/zinc/35/74/46/1290357446.db2.gz FCTNJVTWPDZIBU-LLVKDONJSA-N -1 3 371.434 0.768 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Cn2nccc2N)cc1OC ZINC001626262735 1290384747 /nfs/dbraw/zinc/38/47/47/1290384747.db2.gz UOOMGTQOQIANRD-UHFFFAOYSA-N -1 3 353.404 0.874 10 0 FCAEHM COC[C@H](C)CC(=O)N1C[C@H]2CCN(C(=O)c3c(C)nc[n-]c3=O)C[C@H]21 ZINC001739727822 1290398635 /nfs/dbraw/zinc/39/86/35/1290398635.db2.gz PBUDSGVFFOZJPK-MRVWCRGKSA-N -1 3 362.430 0.836 10 0 FCAEHM CCOC(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1c(C)[n-][nH]c1=O ZINC001627153549 1290442053 /nfs/dbraw/zinc/44/20/53/1290442053.db2.gz UQUBBJOGINLNBN-HUUCEWRRSA-N -1 3 360.414 0.972 10 0 FCAEHM CNC(=O)c1cncc(C=CC(=O)Nc2[n-]nc3cc(C)n(C)c(=O)c32)c1 ZINC001627187641 1290445796 /nfs/dbraw/zinc/44/57/96/1290445796.db2.gz NHQKEJKDXJKWSK-SNAWJCMRSA-N -1 3 366.381 0.977 10 0 FCAEHM C[C@@H](C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@]23C[C@H]2COC3)n1)C1CC1 ZINC001739982848 1290458887 /nfs/dbraw/zinc/45/88/87/1290458887.db2.gz MHQQNXXJZRQXDF-MYFIVHGGSA-N -1 3 360.414 0.497 10 0 FCAEHM Cn1cc(C(=O)NC[C@H]2CCCN2C(=O)c2cc3c(cc2[O-])OCO3)cn1 ZINC001627517766 1290468122 /nfs/dbraw/zinc/46/81/22/1290468122.db2.gz LJPNQCQJEOBWKA-GFCCVEGCSA-N -1 3 372.381 0.889 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1[nH]ncc1I ZINC001628274414 1290522888 /nfs/dbraw/zinc/52/28/88/1290522888.db2.gz KLBSULARBSTSJA-LURJTMIESA-N -1 3 361.143 0.256 10 0 FCAEHM COCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1c(C)[n-][nH]c1=O ZINC001628274784 1290523579 /nfs/dbraw/zinc/52/35/79/1290523579.db2.gz PSERXOUNYDQACQ-RYUDHWBXSA-N -1 3 356.423 0.544 10 0 FCAEHM CCOC(=O)C1(CC(=O)Nc2n[n-]c(CC(=O)OC)n2)CCOCC1 ZINC001628596060 1290543571 /nfs/dbraw/zinc/54/35/71/1290543571.db2.gz PGJDRLLMAODNLD-UHFFFAOYSA-N -1 3 354.363 0.209 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)NC[C@]1(C)CCN(C(=O)c2cnc[n-]c2=O)C1 ZINC001748163445 1290597054 /nfs/dbraw/zinc/59/70/54/1290597054.db2.gz FXZYBEFRNFVTJT-IAISJRAMSA-N -1 3 362.430 0.966 10 0 FCAEHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@@H](O)[C@](O)(c1ccccc1)C(F)(F)F ZINC001629376792 1290597293 /nfs/dbraw/zinc/59/72/93/1290597293.db2.gz JTBAYPYUIAGQDS-QMTHXVAHSA-N -1 3 373.287 0.946 10 0 FCAEHM CCOc1ncccc1CNC(=O)c1ccc(-n2[n-]c(=O)[nH]c2=O)cc1 ZINC001629546221 1290606619 /nfs/dbraw/zinc/60/66/19/1290606619.db2.gz KCKAQILGSQDWJN-UHFFFAOYSA-N -1 3 355.354 0.990 10 0 FCAEHM C[C@H]1C(=O)N([N-]C(=O)c2cc(NC(=O)OC(C)(C)C)nn2C)C(=O)N1C ZINC001629885445 1290631111 /nfs/dbraw/zinc/63/11/11/1290631111.db2.gz YHQKZLMNLRJZRK-QMMMGPOBSA-N -1 3 366.378 0.694 10 0 FCAEHM NC(=O)c1ccc(CCC(=O)NCCNC(=O)c2ccc([O-])cc2)cc1 ZINC001630331481 1290660367 /nfs/dbraw/zinc/66/03/67/1290660367.db2.gz LNSCKQZHEVJHDR-UHFFFAOYSA-N -1 3 355.394 0.970 10 0 FCAEHM CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)NCCCc2c[n-][nH]c2=O)C1 ZINC001630631987 1290683399 /nfs/dbraw/zinc/68/33/99/1290683399.db2.gz ONSASZRACWSKED-NWDGAFQWSA-N -1 3 350.419 0.872 10 0 FCAEHM COCC(=O)NC[C@@H]1CN(C(=O)CCc2c(C)nc[n-]c2=O)C[C@H]1C ZINC001757593234 1290787506 /nfs/dbraw/zinc/78/75/06/1290787506.db2.gz HFYRKPVDUBZVJD-DGCLKSJQSA-N -1 3 350.419 0.280 10 0 FCAEHM O=C1Nc2ncc(Br)cc2C[C@H]1N=c1ncnc2[nH][n-]cc1-2 ZINC001643282430 1290869601 /nfs/dbraw/zinc/86/96/01/1290869601.db2.gz FDKDIATYCTTZLC-SECBINFHSA-N -1 3 360.175 0.859 10 0 FCAEHM C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)N1CCC(Cc2nnn[n-]2)CC1 ZINC001643900339 1290923816 /nfs/dbraw/zinc/92/38/16/1290923816.db2.gz YJIXEFMUTNJIHR-XHDPSFHLSA-N -1 3 364.450 0.037 10 0 FCAEHM C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)N1CCC(Cc2nn[n-]n2)CC1 ZINC001643900339 1290923822 /nfs/dbraw/zinc/92/38/22/1290923822.db2.gz YJIXEFMUTNJIHR-XHDPSFHLSA-N -1 3 364.450 0.037 10 0 FCAEHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)c1ccc(CN2CCOCC2)o1 ZINC001644273179 1290951641 /nfs/dbraw/zinc/95/16/41/1290951641.db2.gz PQTHTNHMZDPMSA-UHFFFAOYSA-N -1 3 350.400 0.826 10 0 FCAEHM CN=[S@](C)(=O)CCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC001647767983 1291073488 /nfs/dbraw/zinc/07/34/88/1291073488.db2.gz SXNAIGBGRAXSSZ-OAQYLSRUSA-N -1 3 351.425 0.191 10 0 FCAEHM O=C(C=CC(=O)Nc1ccc2n[nH]cc2c1)NCCCc1c[n-][nH]c1=O ZINC001647858813 1291078936 /nfs/dbraw/zinc/07/89/36/1291078936.db2.gz KVXHULVZRLWXRX-GZTOBOFZSA-N -1 3 354.370 0.686 10 0 FCAEHM O=C(C[C@@H]1C(=O)Nc2c1cccc2Br)NN1CC(=O)[N-]C1=O ZINC001648444920 1291120992 /nfs/dbraw/zinc/12/09/92/1291120992.db2.gz CPDCEEMBUXBMOC-ZETCQYMHSA-N -1 3 367.159 0.458 10 0 FCAEHM CCO[C@@H](C(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1C)C1CC1 ZINC001649486482 1291160088 /nfs/dbraw/zinc/16/00/88/1291160088.db2.gz CEBLCAAQFSXJMB-WDBKCZKBSA-N -1 3 362.430 0.882 10 0 FCAEHM O=C(NCC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001651209537 1291206727 /nfs/dbraw/zinc/20/67/27/1291206727.db2.gz LSFALMFITNLFPP-CLYYMRHHSA-N -1 3 362.407 0.656 10 0 FCAEHM COC(=O)[C@@H]1C[C@@H]1CNC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC001651714443 1291234757 /nfs/dbraw/zinc/23/47/57/1291234757.db2.gz DKKWBWGUWUWJNG-UKRRQHHQSA-N -1 3 370.409 0.998 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CC[C@H](NC(=O)c3ccc4nnn(C)c4c3)C2)n1 ZINC001651886660 1291249047 /nfs/dbraw/zinc/24/90/47/1291249047.db2.gz NROASPRQIZKHAD-LBPRGKRZSA-N -1 3 353.386 0.781 10 0 FCAEHM COCCn1cc(C(=O)N2CCN(c3nc(C)cc(=O)[n-]3)CC2)ccc1=O ZINC001652071014 1291257678 /nfs/dbraw/zinc/25/76/78/1291257678.db2.gz MSFORLMLYVNWOE-UHFFFAOYSA-N -1 3 373.413 0.261 10 0 FCAEHM C[C@]1(C2CCN(Cc3nc4c(c(=O)[n-]3)COCC4)CC2)NC(=O)NC1=O ZINC001652656036 1291288959 /nfs/dbraw/zinc/28/89/59/1291288959.db2.gz XWDZWYPFRSFCPI-QGZVFWFLSA-N -1 3 361.402 0.065 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2C[C@H]3C[C@H](C(=O)OC)C[C@H]32)c(C)o1 ZINC001652966445 1291313947 /nfs/dbraw/zinc/31/39/47/1291313947.db2.gz AFUGWIBTJHEWQH-DNIRFERGSA-N -1 3 370.427 0.814 10 0 FCAEHM CS(=O)(=O)C1CCC(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)CC1 ZINC001653312553 1291334901 /nfs/dbraw/zinc/33/49/01/1291334901.db2.gz LFFAWZNJDFGWSB-OTTFEQOBSA-N -1 3 368.459 0.481 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)[C@H]1CCCN1c1ncccn1 ZINC001653313912 1291336648 /nfs/dbraw/zinc/33/66/48/1291336648.db2.gz XRECGLHSENSAHZ-CHWSQXEVSA-N -1 3 355.402 0.336 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)N1CCc2ccc(C(=O)OC)cc21 ZINC001653648000 1291360593 /nfs/dbraw/zinc/36/05/93/1291360593.db2.gz OHPXQDGFYSGBSG-UHFFFAOYSA-N -1 3 370.427 0.318 10 0 FCAEHM CS(=O)(=O)NCC1CCN(Cc2nc3c(c(=O)[n-]2)COCC3)CC1 ZINC001654414165 1291409135 /nfs/dbraw/zinc/40/91/35/1291409135.db2.gz HIXXPRHFRRJEFZ-UHFFFAOYSA-N -1 3 356.448 0.016 10 0 FCAEHM CN(Cc1cc(=O)n2nc(N)[n-]c2n1)Cc1ncc(Br)cn1 ZINC001654797183 1291436530 /nfs/dbraw/zinc/43/65/30/1291436530.db2.gz DPLQWVKAYZNMDK-UHFFFAOYSA-N -1 3 365.195 0.184 10 0 FCAEHM COC(=O)CC(C)(C)CNC(=O)C[N-]S(=O)(=O)c1c(C)noc1C ZINC001654817619 1291439041 /nfs/dbraw/zinc/43/90/41/1291439041.db2.gz QLDLJEJEAQDSIX-UHFFFAOYSA-N -1 3 361.420 0.275 10 0 FCAEHM CCCCOCC(=O)N1CC[C@@H](C)C[C@H]1CNCc1nc(=O)n(C)[n-]1 ZINC001656526386 1291538412 /nfs/dbraw/zinc/53/84/12/1291538412.db2.gz HAYNKZQERZVZIX-KGLIPLIRSA-N -1 3 353.467 0.642 10 0 FCAEHM CC(C)[C@H](CCN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1)NCc1n[nH]c(=O)[n-]1 ZINC001675136705 1292166918 /nfs/dbraw/zinc/16/69/18/1292166918.db2.gz XWCQSFFPVOAWAP-AGIUHOORSA-N -1 3 366.466 0.375 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)NCc1cc(=O)[n-]c(CNC(=O)C(C)C)n1 ZINC001684815464 1292339880 /nfs/dbraw/zinc/33/98/80/1292339880.db2.gz LESOPDSQZORXRV-ABAIWWIYSA-N -1 3 350.419 0.886 10 0 FCAEHM CSCC(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@H]2C2CC2)n1 ZINC001684815442 1292340365 /nfs/dbraw/zinc/34/03/65/1292340365.db2.gz KXOLZRNATMTGDZ-NWDGAFQWSA-N -1 3 350.444 0.824 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)[C@H](C)CC(N)=O)CCN1C(=O)c1c(C)nc[n-]c1=O ZINC001684972192 1292386276 /nfs/dbraw/zinc/38/62/76/1292386276.db2.gz DYMWGQNFTBQZSB-ADEWGFFLSA-N -1 3 363.418 0.111 10 0 FCAEHM CCOCCC(=O)N1CC[C@H](NC(=O)Cc2c(C)nc(C)[n-]c2=O)[C@H]1C ZINC001685241226 1292465568 /nfs/dbraw/zinc/46/55/68/1292465568.db2.gz DONYWBOCRFCCAD-DOMZBBRYSA-N -1 3 364.446 0.874 10 0 FCAEHM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001685645074 1292580862 /nfs/dbraw/zinc/58/08/62/1292580862.db2.gz MAQYRJABWZWRIP-GRYCIOLGSA-N -1 3 371.463 0.224 10 0 FCAEHM COC(=O)CCCCCNC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001685645595 1292581863 /nfs/dbraw/zinc/58/18/63/1292581863.db2.gz UFJZEJOJQDSARD-LBPRGKRZSA-N -1 3 351.407 0.794 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)N[C@@H]1CCCC(F)(F)[C@H]1O ZINC001685649448 1292583047 /nfs/dbraw/zinc/58/30/47/1292583047.db2.gz KGTRTZBNZSQIPB-CWSCBRNRSA-N -1 3 357.361 0.609 10 0 FCAEHM COCCC(=O)N1C[C@@H](CNC(=O)CCc2c(C)nc[n-]c2=O)[C@H](C)C1 ZINC001685711411 1292604648 /nfs/dbraw/zinc/60/46/48/1292604648.db2.gz DSQKVGZKITXUOB-TZMCWYRMSA-N -1 3 364.446 0.670 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CCNC(=O)c1n[nH]cc1F ZINC001685885801 1292679593 /nfs/dbraw/zinc/67/95/93/1292679593.db2.gz GPNBRUVUIJFEJN-NXEZZACHSA-N -1 3 362.365 0.573 10 0 FCAEHM C[C@H](NC(=O)c1ccco1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn[n-]n1)C2 ZINC001686047373 1292745550 /nfs/dbraw/zinc/74/55/50/1292745550.db2.gz PKTPVAYGSOLSHH-NOHGZBONSA-N -1 3 372.385 0.078 10 0 FCAEHM Cc1c(S(=O)(=O)N2CCc3c(nc[n-]c3=O)C2)coc1C(=O)N(C)C ZINC001118927536 847637479 /nfs/dbraw/zinc/63/74/79/847637479.db2.gz RACQIXGFRPTRAR-UHFFFAOYSA-N -1 3 366.399 0.532 10 0 FCAEHM CN1CCN(CCNC(=O)CCCn2ccc(C(=O)[O-])n2)CC1(C)C ZINC001119650026 847923508 /nfs/dbraw/zinc/92/35/08/847923508.db2.gz INHQFKDMJKAPIB-UHFFFAOYSA-N -1 3 351.451 0.504 10 0 FCAEHM O=C(NC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cnncc1[O-] ZINC001137314922 849262632 /nfs/dbraw/zinc/26/26/32/849262632.db2.gz SGSMMJNIJMEIHA-UHFFFAOYSA-N -1 3 354.310 0.226 10 0 FCAEHM O=C(N[C@@H](CO)C(=O)NCc1ccc([O-])c(F)c1)c1cccc(F)n1 ZINC001137441398 849266843 /nfs/dbraw/zinc/26/68/43/849266843.db2.gz DJVQNNUGKQNBQO-LBPRGKRZSA-N -1 3 351.309 0.473 10 0 FCAEHM C[C@@H]1CN(C(=O)c2nc[n-]c(=O)c2Br)CCN1CC(C)(C)O ZINC001138270871 849305030 /nfs/dbraw/zinc/30/50/30/849305030.db2.gz AWDJJAWVMBGDAE-SECBINFHSA-N -1 3 373.251 0.862 10 0 FCAEHM CS(=O)(=O)c1ccc(N)c(C(=O)NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC001138644119 849315480 /nfs/dbraw/zinc/31/54/80/849315480.db2.gz DPRVWTZRVMGCGW-UHFFFAOYSA-N -1 3 363.321 0.739 10 0 FCAEHM O=C(NCCCc1cc(=O)[nH][n-]1)c1cc(Br)cn2ncnc12 ZINC001141691014 849406169 /nfs/dbraw/zinc/40/61/69/849406169.db2.gz CEVIEJZOZFJGHJ-UHFFFAOYSA-N -1 3 365.191 0.878 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C1(n2cc(Br)cn2)CC1 ZINC001144232937 849513614 /nfs/dbraw/zinc/51/36/14/849513614.db2.gz OMLBYLOTTMPZEY-JTQLQIEISA-N -1 3 354.208 0.763 10 0 FCAEHM Cc1ccc(S(N)(=O)=O)c(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)c1 ZINC001164320710 850406924 /nfs/dbraw/zinc/40/69/24/850406924.db2.gz CNMFLRWEMFTDIO-JTQLQIEISA-N -1 3 350.400 0.701 10 0 FCAEHM O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001164338850 850408815 /nfs/dbraw/zinc/40/88/15/850408815.db2.gz PPWRNZKTYXKHHJ-QWRGUYRKSA-N -1 3 364.427 0.652 10 0 FCAEHM O=c1[n-]c(CN2CCn3c(nnc3C(F)(F)F)C2)nc2c1COCC2 ZINC001167458447 850544972 /nfs/dbraw/zinc/54/49/72/850544972.db2.gz UAGWDQAGDZVMMT-UHFFFAOYSA-N -1 3 356.308 0.881 10 0 FCAEHM C[C@@H]1NC(=O)N(CCN2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)C1=O ZINC001171606833 850689327 /nfs/dbraw/zinc/68/93/27/850689327.db2.gz DDMQRMYPTOEPFU-GUBZILKMSA-N -1 3 350.341 0.458 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCC(C)(C)CS(N)(=O)=O)c1 ZINC001171675553 850692087 /nfs/dbraw/zinc/69/20/87/850692087.db2.gz LTQHKIWQRHNMSI-UHFFFAOYSA-N -1 3 355.416 0.561 10 0 FCAEHM CS(=O)(=O)Cc1nc(CN2CCC(Cc3nnn[n-]3)CC2)cs1 ZINC001175836827 850775786 /nfs/dbraw/zinc/77/57/86/850775786.db2.gz FPFAACSCLLMJQW-UHFFFAOYSA-N -1 3 356.477 0.656 10 0 FCAEHM CS(=O)(=O)Cc1nc(CN2CCC(Cc3nn[n-]n3)CC2)cs1 ZINC001175836827 850775788 /nfs/dbraw/zinc/77/57/88/850775788.db2.gz FPFAACSCLLMJQW-UHFFFAOYSA-N -1 3 356.477 0.656 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCc2ncc(C(=O)OC)s2)c(C)o1 ZINC001178001686 850879124 /nfs/dbraw/zinc/87/91/24/850879124.db2.gz MBBNUCZXKAWAEV-UHFFFAOYSA-N -1 3 373.412 0.669 10 0 FCAEHM C[C@@H](NC(=O)C[C@]1(C)CCS(=O)(=O)N1)c1nc(C(F)(F)F)n[n-]1 ZINC001179183909 850960578 /nfs/dbraw/zinc/96/05/78/850960578.db2.gz YOKOOKGMPAXILB-LDWIPMOCSA-N -1 3 355.342 0.473 10 0 FCAEHM CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)o1 ZINC001180028844 851009647 /nfs/dbraw/zinc/00/96/47/851009647.db2.gz VKFWAITUKQHQOW-SECBINFHSA-N -1 3 352.372 0.187 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cnc(C(F)(F)F)nc1 ZINC001180027264 851009954 /nfs/dbraw/zinc/00/99/54/851009954.db2.gz HZXVDKANFCJASU-VIFPVBQESA-N -1 3 354.292 1.000 10 0 FCAEHM COc1ccc(C(=O)[N-]C(=O)CN2CCC([C@H](F)C(N)=O)CC2)cc1 ZINC001196960502 853039439 /nfs/dbraw/zinc/03/94/39/853039439.db2.gz DVVHEKVISCTKLA-HNNXBMFYSA-N -1 3 351.378 0.487 10 0 FCAEHM CN(C)S(=O)(=O)c1ccc(CN2CCC(Cc3nnn[n-]3)CC2)s1 ZINC001197449377 853117907 /nfs/dbraw/zinc/11/79/07/853117907.db2.gz KHTIWVLTVFZKHO-UHFFFAOYSA-N -1 3 370.504 0.966 10 0 FCAEHM CN(C)S(=O)(=O)c1ccc(CN2CCC(Cc3nn[n-]n3)CC2)s1 ZINC001197449377 853117914 /nfs/dbraw/zinc/11/79/14/853117914.db2.gz KHTIWVLTVFZKHO-UHFFFAOYSA-N -1 3 370.504 0.966 10 0 FCAEHM O=C(NCc1nc(C(F)F)no1)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001255621513 858024742 /nfs/dbraw/zinc/02/47/42/858024742.db2.gz MGGUBUDWZFPBTI-ZETCQYMHSA-N -1 3 355.305 0.581 10 0 FCAEHM CN(Cc1ccccc1)C(=O)Cc1noc([C@H]2CCS(=O)(=O)[N-]2)n1 ZINC001261506584 858571827 /nfs/dbraw/zinc/57/18/27/858571827.db2.gz XXLCIFKTDABMAH-GFCCVEGCSA-N -1 3 350.400 0.635 10 0 FCAEHM COC(=O)[C@@H](C[C@H]1CCCOC1)NC(=O)CCc1c(C)nc[n-]c1=O ZINC001261842820 858683715 /nfs/dbraw/zinc/68/37/15/858683715.db2.gz LOOVHGIYRNFCHO-TZMCWYRMSA-N -1 3 351.403 0.898 10 0 FCAEHM O=C([N-]C[C@@H]1CCCN(C(=O)NCC[C@H]2CNC(=O)C2)C1)C(F)(F)F ZINC001262206416 858818338 /nfs/dbraw/zinc/81/83/38/858818338.db2.gz BAATXJYCCFRDOW-MNOVXSKESA-N -1 3 364.368 0.613 10 0 FCAEHM COC(=O)[C@@H](Cn1cncn1)[N-]C(=O)C(F)(F)c1ccc(OC)cc1 ZINC001263961759 859254824 /nfs/dbraw/zinc/25/48/24/859254824.db2.gz YLWXWGUQCIHSJT-GFCCVEGCSA-N -1 3 354.313 0.737 10 0 FCAEHM CC(C)CO[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1O ZINC001281645863 863572822 /nfs/dbraw/zinc/57/28/22/863572822.db2.gz TVRDUXXTHNALHY-XNRPHZJLSA-N -1 3 350.415 0.755 10 0 FCAEHM CC[C@H](CC(F)F)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@@H]1O ZINC001281896709 863905413 /nfs/dbraw/zinc/90/54/13/863905413.db2.gz XLJMELWKBDVWFM-IEBDPFPHSA-N -1 3 358.345 0.165 10 0 FCAEHM CSC[C@@H](C)C(=O)N1C[C@H]2CCN(C(=O)c3cnc[n-]c3=O)C[C@H]21 ZINC001281950530 863996663 /nfs/dbraw/zinc/99/66/63/863996663.db2.gz SQIRGPQUBRCFKI-NQBHXWOUSA-N -1 3 350.444 0.854 10 0 FCAEHM CS[C@@H](C)C(=O)NCc1nc(CNC(=O)[C@]23C[C@H]2COC3)cc(=O)[n-]1 ZINC001282229065 864130049 /nfs/dbraw/zinc/13/00/49/864130049.db2.gz NDDNBHFTWJFLSG-PUTJDCORSA-N -1 3 366.443 0.203 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)CCNS(C)(=O)=O)CCN1C(=O)c1ccccc1[O-] ZINC001282355389 864214731 /nfs/dbraw/zinc/21/47/31/864214731.db2.gz QTHXUSQIRZTAOE-YPMHNXCESA-N -1 3 369.443 0.051 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2[nH]nc(C)c2[O-])CCN1C(=O)CN(CC)CC ZINC001290408245 865407474 /nfs/dbraw/zinc/40/74/74/865407474.db2.gz LPHQTJBLKKTWOT-QWHCGFSZSA-N -1 3 351.451 0.875 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)C[C@H](C)COC)CCN1C(=O)c1cnc[n-]c1=O ZINC001290472060 865427441 /nfs/dbraw/zinc/42/74/41/865427441.db2.gz ZDDMINFAOVZTEK-FPMFFAJLSA-N -1 3 350.419 0.964 10 0 FCAEHM CC(C)S(=O)(=O)CC(=O)N[C@H]1CCN(C(=O)c2ccccc2[O-])[C@@H]1C ZINC001290629433 865467580 /nfs/dbraw/zinc/46/75/80/865467580.db2.gz TWRJPDFWEIVRDW-OCCSQVGLSA-N -1 3 368.455 0.935 10 0 FCAEHM CC[C@H](C(=O)NC[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1C)N(C)C ZINC001290937971 865562804 /nfs/dbraw/zinc/56/28/04/865562804.db2.gz AXTURRCACFSKJU-RAIGVLPGSA-N -1 3 351.451 0.588 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC001292968477 865765670 /nfs/dbraw/zinc/76/56/70/865765670.db2.gz QFYUPGHECFMNGA-JTQLQIEISA-N -1 3 357.819 0.985 10 0 FCAEHM CS(=O)(=O)CCN1CCC(NC(=O)c2cnc(C3CC3)[n-]c2=O)CC1 ZINC001293024537 865771120 /nfs/dbraw/zinc/77/11/20/865771120.db2.gz ZJQURKCSDIALSY-UHFFFAOYSA-N -1 3 368.459 0.298 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@@H]1CCC2(C1)OCCO2 ZINC001295685023 865914685 /nfs/dbraw/zinc/91/46/85/865914685.db2.gz RDWWPPWSBGJVQR-MRVPVSSYSA-N -1 3 374.191 0.123 10 0 FCAEHM NC(=O)c1ccc(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)[nH]1 ZINC001296832405 865992271 /nfs/dbraw/zinc/99/22/71/865992271.db2.gz QFYMNDMUICMSLY-UHFFFAOYSA-N -1 3 372.353 0.100 10 0 FCAEHM C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)c1cnncc1[O-] ZINC001296984936 866000878 /nfs/dbraw/zinc/00/08/78/866000878.db2.gz UOSVOHOVHNJOJV-LLVKDONJSA-N -1 3 350.400 0.669 10 0 FCAEHM NS(=O)(=O)CCCCNC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001298597276 866120397 /nfs/dbraw/zinc/12/03/97/866120397.db2.gz ZVVAOVJXZPDCCH-UHFFFAOYSA-N -1 3 359.354 0.605 10 0 FCAEHM COc1c(F)cc(CC(=O)[N-]OCc2ccccn2)cc1S(N)(=O)=O ZINC001299115437 866148527 /nfs/dbraw/zinc/14/85/27/866148527.db2.gz ILGOOCBUXQDNFL-UHFFFAOYSA-N -1 3 369.374 0.667 10 0 FCAEHM Cc1sc(S(N)(=O)=O)cc1C(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001300198237 866214621 /nfs/dbraw/zinc/21/46/21/866214621.db2.gz WUVHJPZTIIXRCT-UHFFFAOYSA-N -1 3 360.442 0.418 10 0 FCAEHM C[C@]12CCC(=O)N1[C@H](C(=O)N1CCC(Cc3nnn[n-]3)CC1)CS2 ZINC001349108277 866236052 /nfs/dbraw/zinc/23/60/52/866236052.db2.gz NLNIGEVAJZJKNK-NHYWBVRUSA-N -1 3 350.448 0.435 10 0 FCAEHM C[C@]12CCC(=O)N1[C@H](C(=O)N1CCC(Cc3nn[n-]n3)CC1)CS2 ZINC001349108277 866236071 /nfs/dbraw/zinc/23/60/71/866236071.db2.gz NLNIGEVAJZJKNK-NHYWBVRUSA-N -1 3 350.448 0.435 10 0 FCAEHM Cn1ccnc1COCC(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001351132533 866789570 /nfs/dbraw/zinc/78/95/70/866789570.db2.gz NHYHHESSWYMMBJ-UHFFFAOYSA-N -1 3 370.406 0.764 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)C1CCS(=O)(=O)CC1)c1nc(C(C)(C)C)no1 ZINC001318775208 867747582 /nfs/dbraw/zinc/74/75/82/867747582.db2.gz ATUFYBPJJJTUSV-SECBINFHSA-N -1 3 365.477 0.925 10 0 FCAEHM COc1ccc(S(=O)(=O)NC2CCN(CC(=O)[O-])CC2)cc1OC ZINC001320428614 868164960 /nfs/dbraw/zinc/16/49/60/868164960.db2.gz IJRKRENYEBTYNP-UHFFFAOYSA-N -1 3 358.416 0.531 10 0 FCAEHM COCCc1ccc(S(=O)(=O)NC2CCN(CC(=O)[O-])CC2)cc1 ZINC001324186337 869500446 /nfs/dbraw/zinc/50/04/46/869500446.db2.gz XYEYZNCBRGBZLE-UHFFFAOYSA-N -1 3 356.444 0.703 10 0 FCAEHM CC(C)C[C@@H](CO)N(C)C(=O)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC001325738752 870011194 /nfs/dbraw/zinc/01/11/94/870011194.db2.gz OPYPNIDPGICAIA-QMMMGPOBSA-N -1 3 351.329 0.305 10 0 FCAEHM CC(C)(C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@@H]1O)C(F)(F)F ZINC001343606364 870512679 /nfs/dbraw/zinc/51/26/79/870512679.db2.gz VXCCERMFJZNMBK-BDAKNGLRSA-N -1 3 362.308 0.072 10 0 FCAEHM CCOCCC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1cnc[n-]c1=O ZINC001344478733 870901239 /nfs/dbraw/zinc/90/12/39/870901239.db2.gz YFJMZWAVICARHC-OLZOCXBDSA-N -1 3 350.419 0.966 10 0 FCAEHM Cc1cc(C)[n-]c(=NNS(=O)(=O)c2ccc3c(c2)CS(=O)(=O)C3)n1 ZINC001346127664 871659283 /nfs/dbraw/zinc/65/92/83/871659283.db2.gz LVSGLBIDPYMJIH-UHFFFAOYSA-N -1 3 368.440 0.827 10 0 FCAEHM COC(=O)[C@@]1(N2CCN(C(=O)c3c([O-])cccc3O)CC2)CCOC1 ZINC001329286263 871932385 /nfs/dbraw/zinc/93/23/85/871932385.db2.gz AGHCZVMSFUAJTQ-QGZVFWFLSA-N -1 3 350.371 0.188 10 0 FCAEHM CN(C)C(=O)Cn1cc(C(=O)[N-]c2nc(C3CCOCC3)ns2)nn1 ZINC001331812178 873257042 /nfs/dbraw/zinc/25/70/42/873257042.db2.gz QMLNXTWUENPBBJ-UHFFFAOYSA-N -1 3 365.419 0.364 10 0 FCAEHM C[C@@H]1C(=O)N(C)CN1C(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001332077951 873361876 /nfs/dbraw/zinc/36/18/76/873361876.db2.gz IURUKBFTOWPVEA-SECBINFHSA-N -1 3 358.395 0.527 10 0 FCAEHM COC(=O)C1CC2(C1)CN([C@@H](C)C(=O)N1CCCCC1)C[C@H]2C(=O)[O-] ZINC001333162690 873829506 /nfs/dbraw/zinc/82/95/06/873829506.db2.gz FTDZBWIQFQZHEA-FMHYQEOESA-N -1 3 352.431 0.973 10 0 FCAEHM CCOc1ccncc1S(=O)(=O)[N-]C[C@H]1CCCN1S(C)(=O)=O ZINC000295194732 214283155 /nfs/dbraw/zinc/28/31/55/214283155.db2.gz RPBRPTJQWYOVNE-LLVKDONJSA-N -1 3 363.461 0.183 10 0 FCAEHM CCOc1ccncc1S(=O)(=O)[N-]CCNC(=O)c1cccnc1 ZINC000295229811 214285071 /nfs/dbraw/zinc/28/50/71/214285071.db2.gz SMZCZGSKESYQOB-UHFFFAOYSA-N -1 3 350.400 0.584 10 0 FCAEHM CC[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccccc1F)[C@H](O)C(F)F ZINC000295370404 214293708 /nfs/dbraw/zinc/29/37/08/214293708.db2.gz DLEOMDRJPMJPOI-SKDRFNHKSA-N -1 3 354.350 0.625 10 0 FCAEHM C[C@H]1C[C@@H](S(=O)(=O)NCCCNC(=O)c2cccc([O-])c2)CCO1 ZINC000295508825 214302337 /nfs/dbraw/zinc/30/23/37/214302337.db2.gz HUOJDYDHEPAEQV-WFASDCNBSA-N -1 3 356.444 0.999 10 0 FCAEHM CC[C@@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC)[C@@H](O)C(F)F ZINC000295664405 214311063 /nfs/dbraw/zinc/31/10/63/214311063.db2.gz GNWUAMZDLRVIRP-LDYMZIIASA-N -1 3 372.415 0.278 10 0 FCAEHM CC[C@@H]([N-]S(=O)(=O)c1ccc(S(C)(=O)=O)nc1)[C@@H](O)C(F)F ZINC000295659075 214311749 /nfs/dbraw/zinc/31/17/49/214311749.db2.gz GDZHJFBLKCWPFX-PSASIEDQSA-N -1 3 358.388 0.168 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CC(=O)N[C@H](C)C1 ZINC000296076260 214329431 /nfs/dbraw/zinc/32/94/31/214329431.db2.gz FVVMHAHHUAXYLW-SECBINFHSA-N -1 3 353.400 0.519 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CC(C(=O)OC(C)(C)C)C1 ZINC000296206227 214338002 /nfs/dbraw/zinc/33/80/02/214338002.db2.gz UNRLYFUIQQJWKZ-UHFFFAOYSA-N -1 3 373.431 0.370 10 0 FCAEHM CCOc1ccncc1S(=O)(=O)[N-][C@@H]1CCN(CC(F)(F)F)C1=O ZINC000296552193 214354917 /nfs/dbraw/zinc/35/49/17/214354917.db2.gz BZAULWMVJZOWKO-SECBINFHSA-N -1 3 367.349 0.922 10 0 FCAEHM Cc1cc(O)cc(=O)n1CCC(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000291535880 214040132 /nfs/dbraw/zinc/04/01/32/214040132.db2.gz LDNWWIGCUYRVGO-UHFFFAOYSA-N -1 3 372.381 0.787 10 0 FCAEHM CC[C@H](CO)N1CCN(C(=O)C[N-]S(=O)(=O)c2ccccc2F)CC1 ZINC000291521499 214039416 /nfs/dbraw/zinc/03/94/16/214039416.db2.gz VDRACGOMPXSSCX-CYBMUJFWSA-N -1 3 373.450 0.019 10 0 FCAEHM C[C@H]1CCN(C[C@@H](O)C[C@@]2(O)CCOC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000930488665 674031856 /nfs/dbraw/zinc/03/18/56/674031856.db2.gz LOBNCQNVXOHKPM-CXOVXGEYSA-N -1 3 368.396 0.666 10 0 FCAEHM CCOCc1nc([C@H](C)NC(=O)c2cc(S(=O)(=O)[N-]C)oc2C)no1 ZINC000291164647 214017131 /nfs/dbraw/zinc/01/71/31/214017131.db2.gz KRPDCVRGCCFVJF-QMMMGPOBSA-N -1 3 372.403 0.907 10 0 FCAEHM CCCS(=O)(=O)Nc1cccc(NC(=O)CN2CC(=O)[N-]C2=O)c1 ZINC000265707839 210203602 /nfs/dbraw/zinc/20/36/02/210203602.db2.gz ZKDFCMWYEJCAFE-UHFFFAOYSA-N -1 3 354.388 0.329 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC[C@@H](O)C1CCOCC1 ZINC000265565038 210168311 /nfs/dbraw/zinc/16/83/11/210168311.db2.gz USIISTSWDOABIL-SMDDNHRTSA-N -1 3 374.434 0.396 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000265455958 210138800 /nfs/dbraw/zinc/13/88/00/210138800.db2.gz QKCRSIZAFXUMCD-UHFFFAOYSA-N -1 3 352.778 0.667 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000265432603 210134567 /nfs/dbraw/zinc/13/45/67/210134567.db2.gz GUMZHKVMSCNJTI-CQSZACIVSA-N -1 3 373.413 0.741 10 0 FCAEHM C[C@H]1CN(Cc2ccccc2NC(=O)CN2CC(=O)[N-]C2=O)C[C@H](C)O1 ZINC000265429148 210134290 /nfs/dbraw/zinc/13/42/90/210134290.db2.gz FNSHLULADOGVNN-STQMWFEESA-N -1 3 360.414 0.786 10 0 FCAEHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCO[C@]2(CCCOC2)C1 ZINC000288697618 213794682 /nfs/dbraw/zinc/79/46/82/213794682.db2.gz XWDGYEULODTZHC-MRXNPFEDSA-N -1 3 368.411 0.881 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000265138751 210064810 /nfs/dbraw/zinc/06/48/10/210064810.db2.gz IUEHMZRRKMREDS-UHFFFAOYSA-N -1 3 363.761 0.601 10 0 FCAEHM CN1CCO[C@@H]2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])C[C@H]21 ZINC000333035361 215226770 /nfs/dbraw/zinc/22/67/70/215226770.db2.gz ILFYVVLLRRAOPH-JFIYKMOQSA-N -1 3 373.453 0.928 10 0 FCAEHM C[C@]1(C[C@H]2CCCN2S(=O)(=O)c2ccccc2N)NC(=O)[N-]C1=O ZINC000285697053 213379303 /nfs/dbraw/zinc/37/93/03/213379303.db2.gz SCWZZDOYTPIGRW-MEBBXXQBSA-N -1 3 352.416 0.410 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CO)C[C@@H](O)C(C)(C)C)c(C)o1 ZINC000285680024 213375820 /nfs/dbraw/zinc/37/58/20/213375820.db2.gz BKXNNMYRFNJUEX-CMPLNLGQSA-N -1 3 362.448 0.384 10 0 FCAEHM CNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000361525314 215397747 /nfs/dbraw/zinc/39/77/47/215397747.db2.gz IFLSZTYJRYEJKJ-UKRRQHHQSA-N -1 3 359.426 0.981 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CO)C[C@@H](O)C(C)(C)C)s1 ZINC000284812558 213225713 /nfs/dbraw/zinc/22/57/13/213225713.db2.gz ZWPHWJALQNOYFJ-MWLCHTKSSA-N -1 3 365.473 0.971 10 0 FCAEHM CN1CCO[C@@H]2CCN(C(=O)c3cccc([C@@]4(C)NC(=O)[N-]C4=O)c3)C[C@@H]21 ZINC000284668766 213193715 /nfs/dbraw/zinc/19/37/15/213193715.db2.gz HMXFFHSRORNFPG-QMTMVMCOSA-N -1 3 372.425 0.286 10 0 FCAEHM COc1ccc(CN(CC2CC2)C(=O)CN2CC(=O)[N-]C2=O)c(OC)c1 ZINC000282290035 212825029 /nfs/dbraw/zinc/82/50/29/212825029.db2.gz YXLGILAELJAFRF-UHFFFAOYSA-N -1 3 361.398 0.994 10 0 FCAEHM Cn1cc(C(=O)N[C@@H]2C[C@H]2c2cnn(-c3ccccc3)c2)c(=O)[n-]c1=O ZINC000366829553 216039687 /nfs/dbraw/zinc/03/96/87/216039687.db2.gz QNYCNBFJVMOJRA-DZGCQCFKSA-N -1 3 351.366 0.958 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1ccc(-n2cnc3ccccc32)nc1 ZINC000366921397 216050853 /nfs/dbraw/zinc/05/08/53/216050853.db2.gz SWAWGAZDNPQQIV-LBPRGKRZSA-N -1 3 350.338 0.957 10 0 FCAEHM Cc1ccc(CS(=O)(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1C ZINC000367956436 216182759 /nfs/dbraw/zinc/18/27/59/216182759.db2.gz FVXDNNIDSUPQEN-MRXNPFEDSA-N -1 3 351.428 0.807 10 0 FCAEHM COc1nc(NC(=O)CN2C(=O)NC3(C[C@H](C)C[C@@H](C)C3)C2=O)n[n-]1 ZINC000368049938 216196267 /nfs/dbraw/zinc/19/62/67/216196267.db2.gz XZFGKABXKKZRIG-RKDXNWHRSA-N -1 3 350.379 0.499 10 0 FCAEHM COc1nnc(NC(=O)CN2C(=O)NC3(C[C@H](C)C[C@@H](C)C3)C2=O)[n-]1 ZINC000368049938 216196269 /nfs/dbraw/zinc/19/62/69/216196269.db2.gz XZFGKABXKKZRIG-RKDXNWHRSA-N -1 3 350.379 0.499 10 0 FCAEHM COc1n[n-]c(NC(=O)CN2C(=O)NC3(C[C@H](C)C[C@@H](C)C3)C2=O)n1 ZINC000368049938 216196273 /nfs/dbraw/zinc/19/62/73/216196273.db2.gz XZFGKABXKKZRIG-RKDXNWHRSA-N -1 3 350.379 0.499 10 0 FCAEHM CN1CC[C@@H](NC(=O)CN2CC(=O)[N-]C2=O)[C@H]1c1ccc(Cl)cc1 ZINC000245853131 209376919 /nfs/dbraw/zinc/37/69/19/209376919.db2.gz JOZROGUJZWXJJP-IUODEOHRSA-N -1 3 350.806 0.753 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000195084906 209332255 /nfs/dbraw/zinc/33/22/55/209332255.db2.gz GIUPZCOCSOJQFV-GXTWGEPZSA-N -1 3 370.475 0.655 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)cn1 ZINC000368361218 216237477 /nfs/dbraw/zinc/23/74/77/216237477.db2.gz MLIAQSWJQRPPOV-MELADBBJSA-N -1 3 369.443 0.398 10 0 FCAEHM O=C(CN1CCC[C@]2(C1)NC(=O)[N-]C2=O)NCc1cc(F)cc(F)c1 ZINC000192685181 209302689 /nfs/dbraw/zinc/30/26/89/209302689.db2.gz MYCOFJLKZXTGGQ-MRXNPFEDSA-N -1 3 352.341 0.255 10 0 FCAEHM COc1ccc2c(c1)C[C@@H](C(=O)N1CCC[C@]3(C1)NC(=O)[N-]C3=O)CO2 ZINC000279531750 212562303 /nfs/dbraw/zinc/56/23/03/212562303.db2.gz QFRMDBDWQFFXKO-KZULUSFZSA-N -1 3 359.382 0.447 10 0 FCAEHM Cc1ccc(CCC(=O)NCC(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000279368154 212542944 /nfs/dbraw/zinc/54/29/44/212542944.db2.gz DONPDLGNMIOLQU-IBGZPJMESA-N -1 3 372.425 0.244 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(S(=O)(=O)[C@H]3CCO[C@H]3C)CC2)n[n-]1 ZINC000369338387 216386121 /nfs/dbraw/zinc/38/61/21/216386121.db2.gz IGIFASNLRBVCRM-JQWIXIFHSA-N -1 3 372.447 0.668 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(S(=O)(=O)[C@H]3CCO[C@H]3C)CC2)[n-]1 ZINC000369338387 216386124 /nfs/dbraw/zinc/38/61/24/216386124.db2.gz IGIFASNLRBVCRM-JQWIXIFHSA-N -1 3 372.447 0.668 10 0 FCAEHM O=C(CC1CCCCC1)NCC(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000369291931 216380755 /nfs/dbraw/zinc/38/07/55/216380755.db2.gz BHOOFPUTTXWSFK-KRWDZBQOSA-N -1 3 350.419 0.274 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC000369767603 216447300 /nfs/dbraw/zinc/44/73/00/216447300.db2.gz TZYSMGZUKPAXMI-TZMCWYRMSA-N -1 3 359.382 0.660 10 0 FCAEHM C[C@H](C[S@](C)=O)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000182776601 209136361 /nfs/dbraw/zinc/13/63/61/209136361.db2.gz JNPAWCMWUKSSKN-ULQSSITMSA-N -1 3 350.437 0.376 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000277742380 212393935 /nfs/dbraw/zinc/39/39/35/212393935.db2.gz IPZPGHUUNAPWQZ-UHFFFAOYSA-N -1 3 366.377 0.765 10 0 FCAEHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)[C@H](O)C(=O)OC)c1 ZINC000277132755 212332507 /nfs/dbraw/zinc/33/25/07/212332507.db2.gz WRWZKLKQWVRYMG-LLVKDONJSA-N -1 3 363.363 0.203 10 0 FCAEHM CCOC(=O)c1csc([C@@H]2CCCN2C(=O)CN2CC(=O)[N-]C2=O)n1 ZINC000276814773 212291937 /nfs/dbraw/zinc/29/19/37/212291937.db2.gz GHHPUPXTYHRSPF-JTQLQIEISA-N -1 3 366.399 0.535 10 0 FCAEHM CCN(C)C(=O)[C@@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000276605104 212264136 /nfs/dbraw/zinc/26/41/36/212264136.db2.gz MGLOAFCRKGGIKQ-WDEREUQCSA-N -1 3 359.423 0.476 10 0 FCAEHM Cn1ncc2c1nc(N1CCN(C(=O)c3cccc([O-])c3)CC1)nc2N ZINC000276301568 212207633 /nfs/dbraw/zinc/20/76/33/212207633.db2.gz RHZDHSPSQRVPQD-UHFFFAOYSA-N -1 3 353.386 0.614 10 0 FCAEHM COC(=O)NCCc1ccc(S(=O)(=O)[N-]C[C@]2(O)CCOC2)s1 ZINC000276259237 212198649 /nfs/dbraw/zinc/19/86/49/212198649.db2.gz SEJGVDUPHDYCJK-CYBMUJFWSA-N -1 3 364.445 0.076 10 0 FCAEHM COC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H](C(N)=O)C(C)C)s1 ZINC000276228248 212190947 /nfs/dbraw/zinc/19/09/47/212190947.db2.gz NDWWMYRYEAUBIP-LLVKDONJSA-N -1 3 363.461 0.435 10 0 FCAEHM COC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H](C)C(=O)OC)s1 ZINC000276236066 212193427 /nfs/dbraw/zinc/19/34/27/212193427.db2.gz OMFQCJVADOYGCZ-MRVPVSSYSA-N -1 3 350.418 0.486 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(C)CC(C)(CO)CO ZINC000276201101 212184881 /nfs/dbraw/zinc/18/48/81/212184881.db2.gz NOZMXQCDZMTNFQ-UHFFFAOYSA-N -1 3 372.443 0.621 10 0 FCAEHM COC[C@H](O)CC[N-]S(=O)(=O)c1ccc(CCNC(=O)OC)s1 ZINC000276155596 212173489 /nfs/dbraw/zinc/17/34/89/212173489.db2.gz AEKGVUNRLDIFLY-SNVBAGLBSA-N -1 3 366.461 0.322 10 0 FCAEHM C[C@H]1OCC[C@H]1S(=O)(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000276068390 212151214 /nfs/dbraw/zinc/15/12/14/212151214.db2.gz QRJQBKZIQHRWBH-IUODEOHRSA-N -1 3 354.428 0.657 10 0 FCAEHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]CCCN1CCOC1=O ZINC000276018617 212141880 /nfs/dbraw/zinc/14/18/80/212141880.db2.gz KDYLEUQOCDTDLE-UHFFFAOYSA-N -1 3 362.429 0.964 10 0 FCAEHM COc1cc(NC(=O)C[N-]S(=O)(=O)[C@@H]2CCO[C@@H]2C)cc(OC)c1 ZINC000275976770 212133268 /nfs/dbraw/zinc/13/32/68/212133268.db2.gz DEUZNLQVVKPEBS-QMTHXVAHSA-N -1 3 358.416 0.739 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)[C@H](C)CO ZINC000275716701 212079347 /nfs/dbraw/zinc/07/93/47/212079347.db2.gz HRIWBSHRTXBLAX-GHMZBOCLSA-N -1 3 350.462 0.232 10 0 FCAEHM CC(C)[C@H](O)C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000275707846 212076574 /nfs/dbraw/zinc/07/65/74/212076574.db2.gz GNYQTQBEOSNNKC-LLVKDONJSA-N -1 3 350.462 0.232 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CC(OC(=O)Nc2cccc(F)c2)C1 ZINC000275520514 212044267 /nfs/dbraw/zinc/04/42/67/212044267.db2.gz QBIATOXLZKWPRN-NSHDSACASA-N -1 3 350.306 0.183 10 0 FCAEHM CC(C)[C@H](C(=O)Nc1cc(-c2nccn2C)[n-]n1)N1CCCS1(=O)=O ZINC000185535974 209178315 /nfs/dbraw/zinc/17/83/15/209178315.db2.gz RSYVLRXTRORMML-CYBMUJFWSA-N -1 3 366.447 0.809 10 0 FCAEHM CC(C)[C@H](C(=O)Nc1cc(-c2nccn2C)n[n-]1)N1CCCS1(=O)=O ZINC000185535974 209178318 /nfs/dbraw/zinc/17/83/18/209178318.db2.gz RSYVLRXTRORMML-CYBMUJFWSA-N -1 3 366.447 0.809 10 0 FCAEHM COC(C[N-]S(=O)(=O)CCN1C(=O)c2ccc(C)cc2C1=O)OC ZINC000009704516 204379479 /nfs/dbraw/zinc/37/94/79/204379479.db2.gz ZHQQJTMVZXKPQA-UHFFFAOYSA-N -1 3 356.400 0.129 10 0 FCAEHM Cc1cc(N2CCC[C@@H]([N-]S(=O)(=O)N3CCC[C@@H]3C)C2=O)n(C)n1 ZINC000185035590 209170964 /nfs/dbraw/zinc/17/09/64/209170964.db2.gz ISKOATFDALYLJT-QWHCGFSZSA-N -1 3 355.464 0.543 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](n3cc(C)cn3)C2)cn1 ZINC000184880772 209168521 /nfs/dbraw/zinc/16/85/21/209168521.db2.gz NKFVUJKLGAPVSK-CQSZACIVSA-N -1 3 363.443 0.972 10 0 FCAEHM O=C(NCCN1CCCOCC1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000373690618 217047467 /nfs/dbraw/zinc/04/74/67/217047467.db2.gz XJAQEHNIGNBSQF-MRXNPFEDSA-N -1 3 361.442 0.835 10 0 FCAEHM COc1ccc2c(CN3CCC[C@@]4(C3)NC(=O)[N-]C4=O)cc(=O)oc2c1 ZINC000373846145 217067225 /nfs/dbraw/zinc/06/72/25/217067225.db2.gz SHJZPIMSWBJGRG-SFHVURJKSA-N -1 3 357.366 0.976 10 0 FCAEHM O=C(CC[C@H]1NC(=O)[N-]C1=O)N1CCn2c(Cc3ccccc3)nnc2C1 ZINC000374180923 217105569 /nfs/dbraw/zinc/10/55/69/217105569.db2.gz SQRKQEFPPSAXAI-CYBMUJFWSA-N -1 3 368.397 0.199 10 0 FCAEHM C[C@@H]1N(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)CCC12CCOCC2 ZINC000374941406 217194293 /nfs/dbraw/zinc/19/42/93/217194293.db2.gz BQEFTZHMNSTSGC-LBPRGKRZSA-N -1 3 356.448 0.116 10 0 FCAEHM CS(=O)(=O)[N-]c1cc(C(=O)N2CCN3CCOC[C@H]3C2)ccc1F ZINC000374968719 217197652 /nfs/dbraw/zinc/19/76/52/217197652.db2.gz IVINPFKTFLAPCL-GFCCVEGCSA-N -1 3 357.407 0.354 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c([O-])cc1=O)N1CCN2CCC1CC2 ZINC000375089640 217217030 /nfs/dbraw/zinc/21/70/30/217217030.db2.gz HZUKQPVRCWLOGK-UHFFFAOYSA-N -1 3 358.373 0.794 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])N1CCN2CCC1CC2 ZINC000375089640 217217034 /nfs/dbraw/zinc/21/70/34/217217034.db2.gz HZUKQPVRCWLOGK-UHFFFAOYSA-N -1 3 358.373 0.794 10 0 FCAEHM Cn1c(=O)c(NC(=O)c2cc([O-])cc(O)c2)c(N)n(-c2ccccc2)c1=O ZINC000039125242 205044160 /nfs/dbraw/zinc/04/41/60/205044160.db2.gz HLGGATXFUILYMJ-UHFFFAOYSA-N -1 3 368.349 0.782 10 0 FCAEHM CN(C[C@@H]1C[C@H](F)CN1C(=O)CN1CC(=O)[N-]C1=O)C(=O)OC(C)(C)C ZINC000375322799 217250202 /nfs/dbraw/zinc/25/02/02/217250202.db2.gz VKWGFUZBBUQJDZ-QWRGUYRKSA-N -1 3 372.397 0.344 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CCO[C@H](C3CC3)C2)s1 ZINC000375333731 217250878 /nfs/dbraw/zinc/25/08/78/217250878.db2.gz QJMDAEWRPTYLGS-LBPRGKRZSA-N -1 3 359.473 0.977 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC(O)(c3ccc(F)cc3)C2)c(C)o1 ZINC000375778605 217313110 /nfs/dbraw/zinc/31/31/10/217313110.db2.gz JQIUVWUJPLUISQ-UHFFFAOYSA-N -1 3 368.386 0.979 10 0 FCAEHM COC(=O)c1cnc([C@@H](C)[N-]S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000425191257 247302898 /nfs/dbraw/zinc/30/28/98/247302898.db2.gz VJIUTTPKWUZBQM-KXUCPTDWSA-N -1 3 363.461 0.934 10 0 FCAEHM COCCCS(=O)(=O)[N-]CC(=O)Nc1ccc(CO)c(Cl)c1 ZINC000431371266 247765163 /nfs/dbraw/zinc/76/51/63/247765163.db2.gz WICWNYGEXBUJHE-UHFFFAOYSA-N -1 3 350.824 0.727 10 0 FCAEHM O=C(NCc1nnc2n1CCC2)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436715489 248047339 /nfs/dbraw/zinc/04/73/39/248047339.db2.gz PLGNPBGKSBBTPK-CYBMUJFWSA-N -1 3 355.398 0.851 10 0 FCAEHM COCC[C@H](COC)NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436532137 248043324 /nfs/dbraw/zinc/04/33/24/248043324.db2.gz FHFYATPFCVMVKI-CQSZACIVSA-N -1 3 365.430 0.911 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N[C@@H]2C[C@H]2C2CC2)s1 ZINC000435971084 248028589 /nfs/dbraw/zinc/02/85/89/248028589.db2.gz XPNPKQXISDQBLD-QWHCGFSZSA-N -1 3 371.484 0.577 10 0 FCAEHM Cc1ccc([C@H](NC(=O)C[C@@H]2NC(=O)[N-]C2=O)[C@H](C)S(C)(=O)=O)cc1 ZINC000437854238 248070686 /nfs/dbraw/zinc/07/06/86/248070686.db2.gz UEMPZZHJQHVDCY-VHRBIJSZSA-N -1 3 367.427 0.184 10 0 FCAEHM CC(C)NS(=O)(=O)NCCNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436877743 248053676 /nfs/dbraw/zinc/05/36/76/248053676.db2.gz QRMXYZNOJQLPIG-UHFFFAOYSA-N -1 3 371.459 0.668 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c([O-])c1 ZINC000436960883 248055562 /nfs/dbraw/zinc/05/55/62/248055562.db2.gz FSKUGHDXQSYVMU-GUTXKFCHSA-N -1 3 359.426 0.946 10 0 FCAEHM O=C(N[C@H]1CCCS(=O)(=O)C1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000439061398 248109019 /nfs/dbraw/zinc/10/90/19/248109019.db2.gz TVDZWOKFNVCETL-GXTWGEPZSA-N -1 3 366.439 0.690 10 0 FCAEHM NC(=O)[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cnccc2C(F)(F)F)O1 ZINC000442735698 248294515 /nfs/dbraw/zinc/29/45/15/248294515.db2.gz ZHMUZDLCCOSMFB-VXNVDRBHSA-N -1 3 353.322 0.412 10 0 FCAEHM O=S(=O)([N-]C[C@H]1CCCS1(=O)=O)c1cnccc1C(F)(F)F ZINC000442755173 248295513 /nfs/dbraw/zinc/29/55/13/248295513.db2.gz YGNMUTDSJIYZNQ-MRVPVSSYSA-N -1 3 358.363 0.956 10 0 FCAEHM COC(=O)C1CCC([N-]S(=O)(=O)[C@H]2CCO[C@@H]2C)(C(=O)OC)CC1 ZINC000442768815 248296206 /nfs/dbraw/zinc/29/62/06/248296206.db2.gz MGZXDVLOBNFUQN-AKUZOMFGSA-N -1 3 363.432 0.358 10 0 FCAEHM COC(=O)c1nscc1S(=O)(=O)[N-][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000443314243 248320757 /nfs/dbraw/zinc/32/07/57/248320757.db2.gz QOUAFYUAWKZOBR-DJLDLDEBSA-N -1 3 359.429 0.217 10 0 FCAEHM CCNC(=O)N1CC[C@H]([N-]S(=O)(=O)c2csnc2C(=O)OC)C1 ZINC000443491759 248327794 /nfs/dbraw/zinc/32/77/94/248327794.db2.gz OOBVOWMDLBQLHI-QMMMGPOBSA-N -1 3 362.433 0.012 10 0 FCAEHM COC(=O)[C@@H](CO)NC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000443906268 248344535 /nfs/dbraw/zinc/34/45/35/248344535.db2.gz IZNFROLRLMZZKQ-LLVKDONJSA-N -1 3 369.171 0.554 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(c3nc(C)nc(N(C)C)n3)CC2)[n-]1 ZINC000443963849 248344914 /nfs/dbraw/zinc/34/49/14/248344914.db2.gz PLEXYVUJBXTUIG-UHFFFAOYSA-N -1 3 360.422 0.925 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(c3nc(C)nc(N(C)C)n3)CC2)n[n-]1 ZINC000443963849 248344915 /nfs/dbraw/zinc/34/49/15/248344915.db2.gz PLEXYVUJBXTUIG-UHFFFAOYSA-N -1 3 360.422 0.925 10 0 FCAEHM CCOC(=O)c1n[n-]c(C2CCN(c3nc(C)nc(N(C)C)n3)CC2)n1 ZINC000443963849 248344916 /nfs/dbraw/zinc/34/49/16/248344916.db2.gz PLEXYVUJBXTUIG-UHFFFAOYSA-N -1 3 360.422 0.925 10 0 FCAEHM Cn1cc(C(N)=O)cc1C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000445663224 248376947 /nfs/dbraw/zinc/37/69/47/248376947.db2.gz FWRZZCUBORXGJR-UHFFFAOYSA-N -1 3 354.363 0.887 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CC[C@](O)(C(F)F)C1 ZINC000452677696 249328293 /nfs/dbraw/zinc/32/82/93/249328293.db2.gz DMNWMNOKEGALDK-LLVKDONJSA-N -1 3 374.818 0.908 10 0 FCAEHM CS(=O)(=O)C1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000456970965 249554733 /nfs/dbraw/zinc/55/47/33/249554733.db2.gz MVEFPOXLYAEMFP-ZDUSSCGKSA-N -1 3 352.412 0.252 10 0 FCAEHM COc1nnc(NC(=O)c2ccc(OC)c(S(=O)(=O)N(C)C)c2)[n-]1 ZINC000271431936 211398827 /nfs/dbraw/zinc/39/88/27/211398827.db2.gz PYXLAOBHGCSSRE-UHFFFAOYSA-N -1 3 355.376 0.325 10 0 FCAEHM COc1nc(NC(=O)c2ccc(OC)c(S(=O)(=O)N(C)C)c2)n[n-]1 ZINC000271431936 211398832 /nfs/dbraw/zinc/39/88/32/211398832.db2.gz PYXLAOBHGCSSRE-UHFFFAOYSA-N -1 3 355.376 0.325 10 0 FCAEHM COc1n[n-]c(NC(=O)c2ccc(OC)c(S(=O)(=O)N(C)C)c2)n1 ZINC000271431936 211398837 /nfs/dbraw/zinc/39/88/37/211398837.db2.gz PYXLAOBHGCSSRE-UHFFFAOYSA-N -1 3 355.376 0.325 10 0 FCAEHM CN1C(=O)C[C@H](NC(=O)CN2CC(=O)[N-]C2=O)[C@@H]1c1ccc(Cl)cc1 ZINC000271091439 211333002 /nfs/dbraw/zinc/33/30/02/211333002.db2.gz HWDISNNLFRHECO-NHYWBVRUSA-N -1 3 364.789 0.280 10 0 FCAEHM COC(=O)c1sc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)nc1C(C)(C)C ZINC000270942415 211304954 /nfs/dbraw/zinc/30/49/54/211304954.db2.gz VXEGFUDSFRDYJQ-LURJTMIESA-N -1 3 354.388 0.764 10 0 FCAEHM CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000270938158 211303743 /nfs/dbraw/zinc/30/37/43/211303743.db2.gz VEWZPAXFWXITES-QWRGUYRKSA-N -1 3 356.423 0.784 10 0 FCAEHM CCS(=O)(=O)c1ccc(CC(=O)Nc2nnc(SCCO)[n-]2)cc1 ZINC000270926267 211299510 /nfs/dbraw/zinc/29/95/10/211299510.db2.gz XGWJEWVIZFZPKC-UHFFFAOYSA-N -1 3 370.456 0.864 10 0 FCAEHM CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(SCCO)n[n-]2)cc1 ZINC000270926267 211299511 /nfs/dbraw/zinc/29/95/11/211299511.db2.gz XGWJEWVIZFZPKC-UHFFFAOYSA-N -1 3 370.456 0.864 10 0 FCAEHM CCS(=O)(=O)c1ccc(CC(=O)Nc2n[n-]c(SCCO)n2)cc1 ZINC000270926267 211299515 /nfs/dbraw/zinc/29/95/15/211299515.db2.gz XGWJEWVIZFZPKC-UHFFFAOYSA-N -1 3 370.456 0.864 10 0 FCAEHM CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)C[C@@H]2NC(=O)[N-]C2=O)C1 ZINC000270681293 211246134 /nfs/dbraw/zinc/24/61/34/211246134.db2.gz HUANUEIRMRJEJS-QWRGUYRKSA-N -1 3 354.407 0.348 10 0 FCAEHM CCCN(CC(=O)Nc1ccccc1OC)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000270603114 211232468 /nfs/dbraw/zinc/23/24/68/211232468.db2.gz MGLKPZXRSLJNBO-LBPRGKRZSA-N -1 3 362.386 0.470 10 0 FCAEHM CO[C@H](CCNC(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1)C(F)(F)F ZINC000470332915 250037031 /nfs/dbraw/zinc/03/70/31/250037031.db2.gz LRSNHEBJOHVYQA-SECBINFHSA-N -1 3 372.369 0.090 10 0 FCAEHM CCNC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2C(=O)OC)C1 ZINC000270277280 211180149 /nfs/dbraw/zinc/18/01/49/211180149.db2.gz RNGHIWGSRJFMPI-LLVKDONJSA-N -1 3 373.406 0.694 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1C[C@@H](C)O[C@H](CO)C1 ZINC000470390669 250041588 /nfs/dbraw/zinc/04/15/88/250041588.db2.gz YJNOJXJUBUASMR-WOPDTQHZSA-N -1 3 360.407 0.101 10 0 FCAEHM COc1cccc([C@@H](CNC(=O)C[C@@H]2NC(=O)[N-]C2=O)N2CCCC2)c1 ZINC000270178507 211161540 /nfs/dbraw/zinc/16/15/40/211161540.db2.gz BRWJSGYNQBBPPS-LSDHHAIUSA-N -1 3 360.414 0.546 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000470813955 250066223 /nfs/dbraw/zinc/06/62/23/250066223.db2.gz YGDRXBFIEUKHJJ-BXKDBHETSA-N -1 3 359.386 0.314 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ccc(=O)n(CCN(C)C)c1 ZINC000270053945 211146400 /nfs/dbraw/zinc/14/64/00/211146400.db2.gz RWMAERUQWWJRBN-UHFFFAOYSA-N -1 3 373.866 0.906 10 0 FCAEHM Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)CN1CC(=O)[N-]C1=O ZINC000270048955 211146028 /nfs/dbraw/zinc/14/60/28/211146028.db2.gz DQTSRRWTYIFRAE-ZDUSSCGKSA-N -1 3 355.398 0.888 10 0 FCAEHM CCNC(=O)N1CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)OC)cs2)C1 ZINC000471869192 250122048 /nfs/dbraw/zinc/12/20/48/250122048.db2.gz JEHQIOPMVVYUCL-JTQLQIEISA-N -1 3 361.445 0.617 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](O)c2cnn(C)c2)c(Cl)c1 ZINC000269889798 211109912 /nfs/dbraw/zinc/10/99/12/211109912.db2.gz XNOPJFLHXNFNSR-GFCCVEGCSA-N -1 3 373.818 0.872 10 0 FCAEHM CC(C)[C@H](O)CNC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000269831956 211093190 /nfs/dbraw/zinc/09/31/90/211093190.db2.gz AEQQFZQYALBUQO-SECBINFHSA-N -1 3 369.896 0.996 10 0 FCAEHM CCOC(=O)COc1ccc(NC(=O)C(=O)NCc2ncccc2[O-])cc1 ZINC000473041067 250194812 /nfs/dbraw/zinc/19/48/12/250194812.db2.gz IMSIRCYMVOJBQR-UHFFFAOYSA-N -1 3 373.365 0.984 10 0 FCAEHM CN(C)C(=O)COc1cccc(NC(=O)C(=O)NCc2ncccc2[O-])c1 ZINC000473062276 250197298 /nfs/dbraw/zinc/19/72/98/250197298.db2.gz DKGFMKSPOQQYAJ-UHFFFAOYSA-N -1 3 372.381 0.509 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-]C[C@H](O)C(C)C)c(C(=O)OC)s1 ZINC000269806975 211084942 /nfs/dbraw/zinc/08/49/42/211084942.db2.gz UBHWMUGJBQWGSA-QMMMGPOBSA-N -1 3 365.429 0.617 10 0 FCAEHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)Cc1ccnn1C ZINC000480723768 250280730 /nfs/dbraw/zinc/28/07/30/250280730.db2.gz FGCKDTBTBUWHFH-UHFFFAOYSA-N -1 3 372.472 0.539 10 0 FCAEHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]CC[C@@H](C)[S@](C)=O)s1 ZINC000481080739 250313086 /nfs/dbraw/zinc/31/30/86/250313086.db2.gz YVSQQXUWNNLLQD-UZJPJQLHSA-N -1 3 366.530 0.862 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000481505249 250338772 /nfs/dbraw/zinc/33/87/72/250338772.db2.gz LITBASAMJUARLU-VIFPVBQESA-N -1 3 358.276 0.515 10 0 FCAEHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]CCCN1CCOC1=O ZINC000269684990 211044673 /nfs/dbraw/zinc/04/46/73/211044673.db2.gz UQMYEUUFIFDUCK-UHFFFAOYSA-N -1 3 360.363 0.733 10 0 FCAEHM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-]Cc2ccnn2C)c1 ZINC000269637626 211028713 /nfs/dbraw/zinc/02/87/13/211028713.db2.gz CIYFLVVRRMUMQT-UHFFFAOYSA-N -1 3 367.383 0.472 10 0 FCAEHM COc1ccc2c(c1)[n-]cc(C(=O)NC[C@H](C)N1CCN(C)CC1)c2=O ZINC000077615573 208072849 /nfs/dbraw/zinc/07/28/49/208072849.db2.gz OUHSMWDANTYQFS-ZDUSSCGKSA-N -1 3 358.442 0.902 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NCc1nccn1CCCc1ccccc1 ZINC000081932914 208106357 /nfs/dbraw/zinc/10/63/57/208106357.db2.gz XXXIZAQXXOXDMU-UHFFFAOYSA-N -1 3 355.398 0.684 10 0 FCAEHM C[C@H]1CCCN(S(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)CC1 ZINC000103158021 208172333 /nfs/dbraw/zinc/17/23/33/208172333.db2.gz HKRJEIOEBGKKFJ-JTQLQIEISA-N -1 3 352.416 0.433 10 0 FCAEHM Cc1ccc([C@H](C)NS(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)o1 ZINC000103152553 208173661 /nfs/dbraw/zinc/17/36/61/208173661.db2.gz YGXJENZYKMBZDR-VIFPVBQESA-N -1 3 364.383 0.563 10 0 FCAEHM COCCN1CCN(C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)C[C@H]1C ZINC000117284164 208344035 /nfs/dbraw/zinc/34/40/35/208344035.db2.gz NFRUTRUKHJORKU-GFCCVEGCSA-N -1 3 361.446 0.361 10 0 FCAEHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H](C)Cn2cncn2)s1 ZINC000267156822 210489959 /nfs/dbraw/zinc/48/99/59/210489959.db2.gz DROSSCCTQSLLPM-MRVPVSSYSA-N -1 3 360.417 0.502 10 0 FCAEHM Cc1cc(C[C@@H](C)NC(=O)CN2CC(=O)[N-]C2=O)n(-c2ccccc2)n1 ZINC000119014012 208353059 /nfs/dbraw/zinc/35/30/59/208353059.db2.gz VEJLWPKHOPHYIX-GFCCVEGCSA-N -1 3 355.398 0.780 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCCc1cc(Br)ccc1F ZINC000120168557 208377792 /nfs/dbraw/zinc/37/77/92/208377792.db2.gz UXNZEQOVKMAYPR-JTQLQIEISA-N -1 3 358.167 0.845 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000120430808 208382950 /nfs/dbraw/zinc/38/29/50/208382950.db2.gz FAILHKMCDKSFRO-LBPRGKRZSA-N -1 3 370.331 0.952 10 0 FCAEHM COc1cccc(C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)c1[O-] ZINC000266604225 210366135 /nfs/dbraw/zinc/36/61/35/210366135.db2.gz ORYOPMUUYRZMFO-UHFFFAOYSA-N -1 3 360.370 0.708 10 0 FCAEHM COc1cccc(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)c1[O-] ZINC000266447768 210336868 /nfs/dbraw/zinc/33/68/68/210336868.db2.gz NKQJGLQPCGPRAR-ZDUSSCGKSA-N -1 3 363.414 0.064 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000176441766 209004589 /nfs/dbraw/zinc/00/45/89/209004589.db2.gz IIPSXUJKDZCFOS-SECBINFHSA-N -1 3 354.354 0.499 10 0 FCAEHM Cn1ncc2c1ncc(C(=O)N1CCNC(=O)[C@@H]1c1ccccc1)c2[O-] ZINC000179466643 209079085 /nfs/dbraw/zinc/07/90/85/209079085.db2.gz YOROAYDSXAMBMG-AWEZNQCLSA-N -1 3 351.366 0.987 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)NCC[C@H](O)C(F)(F)F ZINC000410056444 230055517 /nfs/dbraw/zinc/05/55/17/230055517.db2.gz YVVGMJUWVUCHQQ-QMMMGPOBSA-N -1 3 360.379 0.846 10 0 FCAEHM C[C@@]1(c2cccc(C(=O)NCC[C@H](O)C(F)(F)F)c2)NC(=O)[N-]C1=O ZINC000410053827 230055574 /nfs/dbraw/zinc/05/55/74/230055574.db2.gz VZFWTBCOQWFBAO-HZMBPMFUSA-N -1 3 359.304 0.784 10 0 FCAEHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@H](CF)C(=O)OC)c1 ZINC000287424988 488868188 /nfs/dbraw/zinc/86/81/88/488868188.db2.gz MKBQGWUFVAGVDV-SNVBAGLBSA-N -1 3 353.755 0.916 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@@H]1CN2CCC[C@H]2CO1 ZINC000363693314 488875000 /nfs/dbraw/zinc/87/50/00/488875000.db2.gz PJEAAKPUVVCCPF-QWHCGFSZSA-N -1 3 374.484 0.232 10 0 FCAEHM C[C@H]1C[C@@H](NC(=O)CN2CC(=O)[N-]C2=O)CCN1C(=O)OC(C)(C)C ZINC000278450406 488875756 /nfs/dbraw/zinc/87/57/56/488875756.db2.gz XLTNVMAPAPPZDE-QWRGUYRKSA-N -1 3 354.407 0.442 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)N[C@@H](C)Cn2cncn2)ccc1F ZINC000287517370 488876652 /nfs/dbraw/zinc/87/66/52/488876652.db2.gz MMERFXIWJNJIIT-VIFPVBQESA-N -1 3 356.383 0.536 10 0 FCAEHM CC(C)Oc1ccc(S(=O)(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000278649800 488887087 /nfs/dbraw/zinc/88/70/87/488887087.db2.gz GPQJOYTUUUCSCD-MRXNPFEDSA-N -1 3 367.427 0.837 10 0 FCAEHM O=C1[N-]C(=O)[C@@]2(CCCN(S(=O)(=O)c3ccc4c(c3)CCCO4)C2)N1 ZINC000278681074 488889778 /nfs/dbraw/zinc/88/97/78/488889778.db2.gz IKONSLIZOMBDSA-INIZCTEOSA-N -1 3 365.411 0.374 10 0 FCAEHM COc1ccc(S(=O)(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1C ZINC000278728506 488892542 /nfs/dbraw/zinc/89/25/42/488892542.db2.gz LRSFFVILEYSOPC-HNNXBMFYSA-N -1 3 353.400 0.366 10 0 FCAEHM Cc1cccc(NC(=O)NC(=O)CN2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1C ZINC000279091177 488916944 /nfs/dbraw/zinc/91/69/44/488916944.db2.gz PGXDDHRGQNBNAA-SFHVURJKSA-N -1 3 373.413 0.626 10 0 FCAEHM COc1cccc(CNC(=O)[C@@H](C)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000279141253 488920194 /nfs/dbraw/zinc/92/01/94/488920194.db2.gz XLEWCALKHPXYST-KZULUSFZSA-N -1 3 360.414 0.374 10 0 FCAEHM CN(Cc1cc(=O)[n-]c(N)n1)[C@@H]1CCN(C(=O)c2cc(C(C)(C)C)n[nH]2)C1 ZINC000328650614 488926734 /nfs/dbraw/zinc/92/67/34/488926734.db2.gz VOQXRCOBMYYGEY-GFCCVEGCSA-N -1 3 373.461 1.132 10 0 FCAEHM Cc1n[nH]c(C)c1[N-]S(=O)(=O)CCCS(=O)(=O)N1C[C@@H](C)[C@@H]1C ZINC000349475488 489294352 /nfs/dbraw/zinc/29/43/52/489294352.db2.gz FNFZIUYVLLMEQQ-SKDRFNHKSA-N -1 3 364.493 0.828 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCC(COc2ccc(Cl)nc2)CC1 ZINC000364178266 488931097 /nfs/dbraw/zinc/93/10/97/488931097.db2.gz DQTXEBSICIAABI-LBPRGKRZSA-N -1 3 366.805 0.951 10 0 FCAEHM O=C(c1ccc(OCC(F)F)nc1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279378533 488937132 /nfs/dbraw/zinc/93/71/32/488937132.db2.gz FIIFPBUNWUKJGC-HNNXBMFYSA-N -1 3 354.313 0.540 10 0 FCAEHM CCc1nc2ccccc2n1CC(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279574574 488953166 /nfs/dbraw/zinc/95/31/66/488953166.db2.gz TUTQGIAPZGCQBQ-GOSISDBHSA-N -1 3 355.398 0.799 10 0 FCAEHM COc1ccc(C=CC(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1OC ZINC000279623609 488957845 /nfs/dbraw/zinc/95/78/45/488957845.db2.gz XNRZLEQODNWPIB-SUQGKYDKSA-N -1 3 359.382 0.918 10 0 FCAEHM O=C(C[C@H](O)c1ccc(Cl)cc1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279633359 488958269 /nfs/dbraw/zinc/95/82/69/488958269.db2.gz YGRGCZNUUXUZEO-BLLLJJGKSA-N -1 3 351.790 0.964 10 0 FCAEHM CCN1CCN(c2ccccc2NC=C2C(=O)[N-]C(=S)NC2=O)CC1 ZINC000028965061 487715516 /nfs/dbraw/zinc/71/55/16/487715516.db2.gz XIBKARNJBAJHNS-UHFFFAOYSA-N -1 3 359.455 0.655 10 0 FCAEHM Cc1cc([N-]C(=O)[C@H](C)N2CCN(c3cc(C)nc4ncnn43)CC2)on1 ZINC000029722362 487730921 /nfs/dbraw/zinc/73/09/21/487730921.db2.gz IMYSMGWMPKXGMX-ZDUSSCGKSA-N -1 3 370.417 0.878 10 0 FCAEHM C[C@@H](Cn1cccn1)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000031396618 487758612 /nfs/dbraw/zinc/75/86/12/487758612.db2.gz BURXPVZELBDUDT-RYUDHWBXSA-N -1 3 354.407 0.894 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]N=c1nc(OC)cc[nH]1 ZINC000032591864 487778668 /nfs/dbraw/zinc/77/86/68/487778668.db2.gz XMTZIHPQEHODMF-UHFFFAOYSA-N -1 3 356.360 0.787 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1cccc(I)c1 ZINC000042859069 487879440 /nfs/dbraw/zinc/87/94/40/487879440.db2.gz LVHHPWWHMVXOMO-QMMMGPOBSA-N -1 3 359.123 0.828 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCc1ccnc(OCc2ccccc2)c1 ZINC000046851875 487995790 /nfs/dbraw/zinc/99/57/90/487995790.db2.gz GKQGWCSFWBJQHT-AWEZNQCLSA-N -1 3 354.366 0.875 10 0 FCAEHM O=C(Cn1cnc2ccccc2c1=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000047545250 488035644 /nfs/dbraw/zinc/03/56/44/488035644.db2.gz GIUOFLKBJUWOKT-UHFFFAOYSA-N -1 3 366.377 0.648 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CC(=O)N(C2CC2)C1 ZINC000279717139 488963909 /nfs/dbraw/zinc/96/39/09/488963909.db2.gz YXDDMAIMUQLRAW-JTQLQIEISA-N -1 3 355.391 0.283 10 0 FCAEHM CN(C(=O)C[C@@H]1NC(=O)[N-]C1=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000057168515 488267540 /nfs/dbraw/zinc/26/75/40/488267540.db2.gz RUPPKMMOXKGRCN-NSHDSACASA-N -1 3 354.407 0.442 10 0 FCAEHM CC(C)(NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C(N)=O ZINC000057258109 488268813 /nfs/dbraw/zinc/26/88/13/488268813.db2.gz INCIKKIDHXQRPR-UHFFFAOYSA-N -1 3 368.390 0.948 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1C[C@H](C)OC(C)(C)C1 ZINC000068538375 488367248 /nfs/dbraw/zinc/36/72/48/488367248.db2.gz IYQVXNSFCNDHFK-ONGXEEELSA-N -1 3 359.448 0.984 10 0 FCAEHM COC[C@@H](O)C[N-]S(=O)(=O)c1cc(Br)ccc1OC ZINC000071270772 488376954 /nfs/dbraw/zinc/37/69/54/488376954.db2.gz SGMWNDUPGGFVRL-VIFPVBQESA-N -1 3 354.222 0.743 10 0 FCAEHM COC(=O)[C@@]1(C)CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000268347791 488410237 /nfs/dbraw/zinc/41/02/37/488410237.db2.gz DURSSIXKILUABB-ZBEGNZNMSA-N -1 3 372.418 0.904 10 0 FCAEHM CCNC(=O)N1CC[C@H](NC(=O)CC[N-]S(=O)(=O)c2cccs2)C1 ZINC000268514624 488426746 /nfs/dbraw/zinc/42/67/46/488426746.db2.gz YKAHQGBSRZCFPB-NSHDSACASA-N -1 3 374.488 0.337 10 0 FCAEHM O=C(Cn1c(=O)[nH]c2ccccc21)NCCNC(=O)c1ccc([O-])cc1 ZINC000080104042 488433910 /nfs/dbraw/zinc/43/39/10/488433910.db2.gz WMPGBLFQRUZOGE-UHFFFAOYSA-N -1 3 354.366 0.581 10 0 FCAEHM CCn1c(=O)[n-]c(=O)c2c(C(=O)NC[C@H](O)COC)cc(C(C)C)nc21 ZINC000268606204 488435331 /nfs/dbraw/zinc/43/53/31/488435331.db2.gz IDMXQXKUBVDTMR-JTQLQIEISA-N -1 3 364.402 0.378 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-][C@H](Cc2ccccc2)C(=O)N(C)C)c1 ZINC000080752336 488437319 /nfs/dbraw/zinc/43/73/19/488437319.db2.gz DFNDNVAJNCYOOX-CQSZACIVSA-N -1 3 350.444 0.881 10 0 FCAEHM O=S(=O)([N-][C@@H]1CCCN(c2ncccn2)C1)c1cccc2nonc21 ZINC000268830703 488452543 /nfs/dbraw/zinc/45/25/43/488452543.db2.gz FBLPKJJUNNIKDY-LLVKDONJSA-N -1 3 360.399 0.960 10 0 FCAEHM C[C@@H]1CCN(C(=O)CC[N-]S(=O)(=O)c2ccc(F)c(F)c2)C[C@H]1O ZINC000089406338 488457091 /nfs/dbraw/zinc/45/70/91/488457091.db2.gz KALOBMMZTXOKDI-QMTHXVAHSA-N -1 3 362.398 0.863 10 0 FCAEHM CCNC(=O)N1CC[C@H](NC(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)C1 ZINC000269092086 488468693 /nfs/dbraw/zinc/46/86/93/488468693.db2.gz HORYRBJZAXMXRF-SCLBCKFNSA-N -1 3 373.413 0.275 10 0 FCAEHM CS[C@H](CO)[C@@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000269175137 488476327 /nfs/dbraw/zinc/47/63/27/488476327.db2.gz SJPKAKYASPVNIQ-JFGNBEQYSA-N -1 3 364.464 0.721 10 0 FCAEHM CCCn1ncnc1Cn1cc(I)c(=O)[n-]c1=O ZINC000094206932 488480373 /nfs/dbraw/zinc/48/03/73/488480373.db2.gz QXOASNOQRVJNSY-UHFFFAOYSA-N -1 3 361.143 0.191 10 0 FCAEHM O=C1[N-]C(=O)[C@]2(CCN(S(=O)(=O)c3ccccc3Br)C2)N1 ZINC000096767799 488491474 /nfs/dbraw/zinc/49/14/74/488491474.db2.gz BZAGDULAZSPBEN-GFCCVEGCSA-N -1 3 374.216 0.422 10 0 FCAEHM O=C1[N-]C(=O)[C@@]2(CCN(S(=O)(=O)c3ccc(Br)cc3)C2)N1 ZINC000096767802 488491488 /nfs/dbraw/zinc/49/14/88/488491488.db2.gz KOXCZZFZXLDKPN-LBPRGKRZSA-N -1 3 374.216 0.422 10 0 FCAEHM CC[C@](C)(COc1ncccc1Cl)NC(=O)CN1CC(=O)[N-]C1=O ZINC000269387191 488498346 /nfs/dbraw/zinc/49/83/46/488498346.db2.gz GXZARPCTGLQXEW-OAHLLOKOSA-N -1 3 354.794 0.951 10 0 FCAEHM C[C@H](C(=O)N1CCc2sccc2C1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000248671649 488500583 /nfs/dbraw/zinc/50/05/83/488500583.db2.gz FKYMSANSSRXUKK-DIFFPNOSSA-N -1 3 362.455 0.695 10 0 FCAEHM C[C@@H]1CN(C(=O)CN2CC(=O)[N-]C2=O)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000271461623 488521293 /nfs/dbraw/zinc/52/12/93/488521293.db2.gz RENJVWRUIIMWKL-WDEREUQCSA-N -1 3 354.407 0.395 10 0 FCAEHM C[C@@H]1CCCN(S(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)[C@H]1C ZINC000253544985 488521546 /nfs/dbraw/zinc/52/15/46/488521546.db2.gz NOGKVJRGGFPZEN-ZJUUUORDSA-N -1 3 352.416 0.843 10 0 FCAEHM COC(=O)CCSc1cccc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)c1 ZINC000271587995 488528862 /nfs/dbraw/zinc/52/88/62/488528862.db2.gz QYYVQGRWVWSLBY-NSHDSACASA-N -1 3 351.384 0.878 10 0 FCAEHM C[C@@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)CN1CC(=O)[N-]C1=O ZINC000272002369 488557867 /nfs/dbraw/zinc/55/78/67/488557867.db2.gz IATAITQJAIVRQN-GHMZBOCLSA-N -1 3 354.407 0.395 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)Nc2cc(OC)n(C)n2)ccc1F ZINC000554516354 491207037 /nfs/dbraw/zinc/20/70/37/491207037.db2.gz NAPJQUIMTNMACK-UHFFFAOYSA-N -1 3 357.367 1.120 10 0 FCAEHM CC[C@H](C)[C@@H](NC(=O)c1cccc([O-])c1)C(=O)NCCN1CCOCC1 ZINC000272724112 488600444 /nfs/dbraw/zinc/60/04/44/488600444.db2.gz ICDZOJIIWGMRPZ-WMLDXEAASA-N -1 3 363.458 0.985 10 0 FCAEHM CC[C@@H](C)[C@H](NC(=O)c1cccc([O-])c1)C(=O)NCCN1CCOCC1 ZINC000272724110 488600690 /nfs/dbraw/zinc/60/06/90/488600690.db2.gz ICDZOJIIWGMRPZ-PBHICJAKSA-N -1 3 363.458 0.985 10 0 FCAEHM Cn1cc(S(=O)(=O)N2CCC(NC(=O)c3cccc([O-])c3)CC2)cn1 ZINC000272783072 488605375 /nfs/dbraw/zinc/60/53/75/488605375.db2.gz VMYLGJBKTQZXFH-UHFFFAOYSA-N -1 3 364.427 0.709 10 0 FCAEHM CCOC(=O)N1CCN(S(=O)(=O)[N-]c2ccc(C(=O)OC)nc2)CC1 ZINC000272917711 488616867 /nfs/dbraw/zinc/61/68/67/488616867.db2.gz PQGALUDCUQRDKD-UHFFFAOYSA-N -1 3 372.403 0.299 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N[C@@H]2CCc3c2cccc3F)c1 ZINC000129624691 488632573 /nfs/dbraw/zinc/63/25/73/488632573.db2.gz QSMUJSUMKXISQR-CYBMUJFWSA-N -1 3 352.391 0.641 10 0 FCAEHM COC(=O)[C@H]1CCCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC000264114359 488648448 /nfs/dbraw/zinc/64/84/48/488648448.db2.gz QYKVDPDACPIBKU-QMMMGPOBSA-N -1 3 374.191 0.123 10 0 FCAEHM CN(C)C[C@H](Cc1ccccc1)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000132237869 488652249 /nfs/dbraw/zinc/65/22/49/488652249.db2.gz KELDFPSTYJWHGQ-AWEZNQCLSA-N -1 3 367.409 0.514 10 0 FCAEHM NC(=O)[C@H]1CCC[C@@H](NC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)C1 ZINC000133133768 488657957 /nfs/dbraw/zinc/65/79/57/488657957.db2.gz CSANRSSPEUYZHA-NWDGAFQWSA-N -1 3 358.398 0.240 10 0 FCAEHM COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1cccc(OC)c1[O-] ZINC000273658282 488665431 /nfs/dbraw/zinc/66/54/31/488665431.db2.gz VOWZSVINOVJURB-LBPRGKRZSA-N -1 3 352.387 0.835 10 0 FCAEHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C)CC(N)=O ZINC000135102636 488671026 /nfs/dbraw/zinc/67/10/26/488671026.db2.gz ZVUVHOSCGMYUGA-SSDOTTSWSA-N -1 3 351.222 1.000 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NCc1cccc(NC(=O)C2CCCC2)c1 ZINC000264612909 488690731 /nfs/dbraw/zinc/69/07/31/488690731.db2.gz ACOLNPOTSPOVIW-UHFFFAOYSA-N -1 3 358.398 0.983 10 0 FCAEHM Cc1cc(CS(=O)(=O)[N-]Cc2ccccc2S(=O)(=O)N(C)C)no1 ZINC000264638294 488693124 /nfs/dbraw/zinc/69/31/24/488693124.db2.gz UGDJJMRWXHPNDZ-UHFFFAOYSA-N -1 3 373.456 0.853 10 0 FCAEHM COc1cccc([C@H](CNC(=O)CN2CC(=O)[N-]C2=O)N2CCCC2)c1 ZINC000264641454 488693685 /nfs/dbraw/zinc/69/36/85/488693685.db2.gz FGOLYGGELPSUDO-HNNXBMFYSA-N -1 3 360.414 0.500 10 0 FCAEHM CCS(=O)(=O)Nc1ccc(NC(=O)CN2CC(=O)[N-]C2=O)cc1C ZINC000264767086 488709540 /nfs/dbraw/zinc/70/95/40/488709540.db2.gz UTOBXXLJLQXYOH-UHFFFAOYSA-N -1 3 354.388 0.247 10 0 FCAEHM CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000152076602 488713266 /nfs/dbraw/zinc/71/32/66/488713266.db2.gz QHCOOAIKITYSOD-OAHLLOKOSA-N -1 3 369.425 0.302 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)NCCCNC(=O)OC(C)(C)C)cn1 ZINC000274493419 488713779 /nfs/dbraw/zinc/71/37/79/488713779.db2.gz QKODRFPZAPHHDX-UHFFFAOYSA-N -1 3 372.447 0.634 10 0 FCAEHM CCOC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2c(C)nn(C)c2Cl)C1 ZINC000274650162 488725389 /nfs/dbraw/zinc/72/53/89/488725389.db2.gz NMKWDCZUBVOMMI-SECBINFHSA-N -1 3 350.828 0.891 10 0 FCAEHM Cn1cnc2c1c(=O)n(CCC[S@@](=O)c1ccc([O-])cc1)c(=O)n2C ZINC000153683508 488734067 /nfs/dbraw/zinc/73/40/67/488734067.db2.gz JQNSTMFASITWHG-VWLOTQADSA-N -1 3 362.411 0.337 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC[C@@]1(O)CCSC1 ZINC000266986327 488750804 /nfs/dbraw/zinc/75/08/04/488750804.db2.gz HTHFUMWTJRHGPR-HZMBPMFUSA-N -1 3 362.448 0.477 10 0 FCAEHM C[C@H]1OCC[C@@H]1S(=O)(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000275010076 488753123 /nfs/dbraw/zinc/75/31/23/488753123.db2.gz XYQNRPYYZHDELT-DOMZBBRYSA-N -1 3 354.428 0.657 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)Nc2cncc(Br)c2)c1 ZINC000155886346 488760038 /nfs/dbraw/zinc/76/00/38/488760038.db2.gz WCPCJJLKCFZNSN-UHFFFAOYSA-N -1 3 374.220 0.495 10 0 FCAEHM Cc1nnc(CCNC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)[nH]1 ZINC000267142447 488764640 /nfs/dbraw/zinc/76/46/40/488764640.db2.gz ZAKVACBRNKZPKC-VIFPVBQESA-N -1 3 355.395 0.278 10 0 FCAEHM C[C@]1(c2ccc(C(=O)NCCCN3CCCC3=O)cc2)NC(=O)[N-]C1=O ZINC000267271350 488773381 /nfs/dbraw/zinc/77/33/81/488773381.db2.gz SMLWCJIQAFOERR-GOSISDBHSA-N -1 3 358.398 0.484 10 0 FCAEHM CCNC(=O)N1CC[C@H]([N-]S(=O)(=O)c2ccc(C(=O)OC)c(F)c2)C1 ZINC000277968383 488795035 /nfs/dbraw/zinc/79/50/35/488795035.db2.gz UTNBJMOTCPLZNV-JTQLQIEISA-N -1 3 373.406 0.694 10 0 FCAEHM CN(C)CCn1c(=O)oc2ccc(NC(=O)c3cnc([O-])n(C)c3=O)cc21 ZINC000267545389 488796479 /nfs/dbraw/zinc/79/64/79/488796479.db2.gz BIXXYSLNGPWKCJ-UHFFFAOYSA-N -1 3 373.369 0.208 10 0 FCAEHM C[C@@H]1CC[C@@H](C)N(S(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)C1 ZINC000173212166 488841635 /nfs/dbraw/zinc/84/16/35/488841635.db2.gz SNUQKMLKFBODBS-NXEZZACHSA-N -1 3 352.416 0.431 10 0 FCAEHM O=S(=O)(CCCS(=O)(=O)Nc1cn[nH]c1)[N-]C1(C(F)F)CC1 ZINC000349532878 489309575 /nfs/dbraw/zinc/30/95/75/489309575.db2.gz DCVYTPGIAQPWHO-UHFFFAOYSA-N -1 3 358.392 0.259 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000176134887 488857564 /nfs/dbraw/zinc/85/75/64/488857564.db2.gz KZCOLMGVCPHROC-NXEZZACHSA-N -1 3 355.445 0.658 10 0 FCAEHM O=C(CCC1CCCC1)NCC(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000364598373 488976429 /nfs/dbraw/zinc/97/64/29/488976429.db2.gz IDSREJNXDPFWQJ-KRWDZBQOSA-N -1 3 350.419 0.274 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCN1CC=CCC1 ZINC000280353051 489000571 /nfs/dbraw/zinc/00/05/71/489000571.db2.gz XKSIJDTUOPGZGM-ZDUSSCGKSA-N -1 3 355.435 0.871 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(C(=O)c3cnc(NC)s3)CC2)n[n-]1 ZINC000364819413 489005220 /nfs/dbraw/zinc/00/52/20/489005220.db2.gz XZEGQGFICZMZJB-UHFFFAOYSA-N -1 3 364.431 1.499 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(C(=O)c3cnc(NC)s3)CC2)[n-]1 ZINC000364819413 489005223 /nfs/dbraw/zinc/00/52/23/489005223.db2.gz XZEGQGFICZMZJB-UHFFFAOYSA-N -1 3 364.431 1.499 10 0 FCAEHM CCOC(=O)[C@@H]1CC[C@H](NC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)C1 ZINC000280613006 489021452 /nfs/dbraw/zinc/02/14/52/489021452.db2.gz DQFNLCWYKOLUTB-OLZOCXBDSA-N -1 3 373.409 0.928 10 0 FCAEHM COC(=O)CCCO[N-]C(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000288926419 489029880 /nfs/dbraw/zinc/02/98/80/489029880.db2.gz YTYKBBFSGUWKCL-UHFFFAOYSA-N -1 3 351.403 0.996 10 0 FCAEHM COc1cc(NC(=O)CN2CCC(c3nc(=O)[n-][nH]3)CC2)cc(OC)c1 ZINC000280921831 489041116 /nfs/dbraw/zinc/04/11/16/489041116.db2.gz GIGIMTXGLFWHAD-UHFFFAOYSA-N -1 3 361.402 0.933 10 0 FCAEHM CC(=O)c1cccc(OC[C@H](O)CN2CCC[C@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000289159298 489045710 /nfs/dbraw/zinc/04/57/10/489045710.db2.gz DNKXZOCUWSLJCO-LSDHHAIUSA-N -1 3 360.414 0.920 10 0 FCAEHM O=C(CN1CCC(c2nc(=O)[n-][nH]2)CC1)NC(=O)NC1CCCCC1 ZINC000281018355 489047841 /nfs/dbraw/zinc/04/78/41/489047841.db2.gz OEPSYQJGYGHGJD-UHFFFAOYSA-N -1 3 350.423 0.436 10 0 FCAEHM CN(C)C(=O)c1cccc(NC(=O)CN2CCC(c3nc(=O)[n-][nH]3)CC2)c1 ZINC000281023161 489048466 /nfs/dbraw/zinc/04/84/66/489048466.db2.gz ONBUUWXLCYTBQD-UHFFFAOYSA-N -1 3 372.429 0.618 10 0 FCAEHM COC(=O)c1ccccc1N(C)C(=O)CN1CCC(c2nc(=O)[n-][nH]2)CC1 ZINC000289360693 489061864 /nfs/dbraw/zinc/06/18/64/489061864.db2.gz HGOJUEMJQZEYGM-UHFFFAOYSA-N -1 3 373.413 0.727 10 0 FCAEHM COCc1cccc(CNC(=O)CN2CCC[C@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000289401067 489065199 /nfs/dbraw/zinc/06/51/99/489065199.db2.gz KZUMUWCHKROIHH-HNNXBMFYSA-N -1 3 359.430 0.740 10 0 FCAEHM CCOc1cccc(CNC(=O)CN2CCC[C@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000289418704 489065901 /nfs/dbraw/zinc/06/59/01/489065901.db2.gz MMWNOPIPTOCYCB-AWEZNQCLSA-N -1 3 359.430 0.993 10 0 FCAEHM CCOc1cccc(S(=O)(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000281870177 489112616 /nfs/dbraw/zinc/11/26/16/489112616.db2.gz CMSYUCPOVDGARY-OAHLLOKOSA-N -1 3 353.400 0.448 10 0 FCAEHM C[C@@]1(c2ccc(C(=O)N3C[C@H]4CCC[C@@H](C3)C4O)cc2)NC(=O)[N-]C1=O ZINC000365794324 489113808 /nfs/dbraw/zinc/11/38/08/489113808.db2.gz QUKPHBQHTHENRI-NJIHEBJKSA-N -1 3 357.410 0.974 10 0 FCAEHM Cc1ccc(C(=O)NCC(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1C ZINC000366086453 489142803 /nfs/dbraw/zinc/14/28/03/489142803.db2.gz PEWMQSAVSRXBKZ-SFHVURJKSA-N -1 3 358.398 0.234 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H]1C(=O)NCC[C@H]1C ZINC000282200676 489144570 /nfs/dbraw/zinc/14/45/70/489144570.db2.gz OQHXIKLSJVEEOD-NRUUGDAUSA-N -1 3 357.407 0.133 10 0 FCAEHM C[C@H](CC(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O)NC(=O)C1CCCCC1 ZINC000366134974 489149519 /nfs/dbraw/zinc/14/95/19/489149519.db2.gz GJEQUUILNOMKFQ-KZULUSFZSA-N -1 3 364.446 0.662 10 0 FCAEHM CC(C)N1C(=O)CN(C(=O)C[N-]S(=O)(=O)c2cccs2)CC1(C)C ZINC000330862757 489152099 /nfs/dbraw/zinc/15/20/99/489152099.db2.gz MGAXHDMXYMQHPT-UHFFFAOYSA-N -1 3 373.500 0.884 10 0 FCAEHM CCN(CC)C(=O)[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)[N-]C)nc1 ZINC000331013257 489165064 /nfs/dbraw/zinc/16/50/64/489165064.db2.gz FQZBKKHHFVTDGX-ZDUSSCGKSA-N -1 3 368.459 0.463 10 0 FCAEHM C[C@H](Cn1cncn1)NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290866245 489170241 /nfs/dbraw/zinc/17/02/41/489170241.db2.gz RBGSNKKKSGSAJF-MNOVXSKESA-N -1 3 362.356 0.767 10 0 FCAEHM COC(C)(C)CS(=O)(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000290867507 489170262 /nfs/dbraw/zinc/17/02/62/489170262.db2.gz XVHPZTNUAUOBLV-UHFFFAOYSA-N -1 3 356.444 0.905 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1ccc(Cl)c(F)c1N1CCOCC1 ZINC000282546060 489173966 /nfs/dbraw/zinc/17/39/66/489173966.db2.gz WPCQXVPTHUJACH-JTQLQIEISA-N -1 3 370.768 0.852 10 0 FCAEHM CC(C)(C)OC(=O)N1CCC2(C[C@@H]2NC(=O)C[C@@H]2NC(=O)[N-]C2=O)CC1 ZINC000366415031 489178476 /nfs/dbraw/zinc/17/84/76/489178476.db2.gz FOLPLDMGAIOIPI-QWRGUYRKSA-N -1 3 366.418 0.490 10 0 FCAEHM CC(C)(C)OC(=O)N1CCC2(C[C@@H]2NC(=O)CN2CC(=O)[N-]C2=O)CC1 ZINC000366423687 489180114 /nfs/dbraw/zinc/18/01/14/489180114.db2.gz WDXMDCOIVPLSNT-NSHDSACASA-N -1 3 366.418 0.444 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@@H]2CCN(C3CCOCC3)C2=O)nc1Cl ZINC000366455993 489184933 /nfs/dbraw/zinc/18/49/33/489184933.db2.gz LBHYLEZNKZERKZ-SNVBAGLBSA-N -1 3 362.839 0.132 10 0 FCAEHM O=C(NC1CC1)c1cccc(C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000570394536 491238046 /nfs/dbraw/zinc/23/80/46/491238046.db2.gz UCVDQRIDNCQEHX-SFHVURJKSA-N -1 3 356.382 0.393 10 0 FCAEHM CC[C@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]C)nc2)C[C@@]2(CCOC2)O1 ZINC000366520517 489191481 /nfs/dbraw/zinc/19/14/81/489191481.db2.gz PPOGLECJWQZEHC-XJKSGUPXSA-N -1 3 369.443 0.400 10 0 FCAEHM O=C(CN1CCN(c2ccccn2)CC1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282820704 489192240 /nfs/dbraw/zinc/19/22/40/489192240.db2.gz CJLBISQBLMPBMV-CQSZACIVSA-N -1 3 371.445 0.021 10 0 FCAEHM CC(C)N1C(=O)C[C@@H]([N-]S(=O)(=O)c2cnccc2C(F)(F)F)C1=O ZINC000331277180 489192639 /nfs/dbraw/zinc/19/26/39/489192639.db2.gz OOPIJCYTXUMZFT-SECBINFHSA-N -1 3 365.333 0.915 10 0 FCAEHM O=C(CCN1C(=O)c2ccccc2C1=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282852185 489194531 /nfs/dbraw/zinc/19/45/31/489194531.db2.gz GJGOYWPEBXWSFY-LLVKDONJSA-N -1 3 369.381 0.490 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000282911321 489198276 /nfs/dbraw/zinc/19/82/76/489198276.db2.gz XTHMPULIJJIPDA-JTQLQIEISA-N -1 3 368.187 0.941 10 0 FCAEHM CN1C[C@@H](NC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])CCC1=O ZINC000283059454 489210944 /nfs/dbraw/zinc/21/09/44/489210944.db2.gz MORAVIDSWOMVOE-NSHDSACASA-N -1 3 360.345 0.225 10 0 FCAEHM CN1C[C@@H](NC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)CCC1=O ZINC000283059454 489210945 /nfs/dbraw/zinc/21/09/45/489210945.db2.gz MORAVIDSWOMVOE-NSHDSACASA-N -1 3 360.345 0.225 10 0 FCAEHM O=C(NC1CC1)c1nn[n-]c1NC(=O)c1cccc(OCC(F)F)n1 ZINC000297649025 489218563 /nfs/dbraw/zinc/21/85/63/489218563.db2.gz DWCUNUFCNWBOFX-UHFFFAOYSA-N -1 3 352.301 0.988 10 0 FCAEHM O=C(NC1CC1)c1[n-]nnc1NC(=O)c1cccc(OCC(F)F)n1 ZINC000297649025 489218564 /nfs/dbraw/zinc/21/85/64/489218564.db2.gz DWCUNUFCNWBOFX-UHFFFAOYSA-N -1 3 352.301 0.988 10 0 FCAEHM O=C(NC1CC1)c1n[n-]nc1NC(=O)c1cccc(OCC(F)F)n1 ZINC000297649025 489218565 /nfs/dbraw/zinc/21/85/65/489218565.db2.gz DWCUNUFCNWBOFX-UHFFFAOYSA-N -1 3 352.301 0.988 10 0 FCAEHM C[C@@H](CO)N(C)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000555214577 491241978 /nfs/dbraw/zinc/24/19/78/491241978.db2.gz FPCJAGPOUHQVIU-VIFPVBQESA-N -1 3 367.830 0.780 10 0 FCAEHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)C[C@@H]1CCOC[C@H]1OC ZINC000297952975 489267980 /nfs/dbraw/zinc/26/79/80/489267980.db2.gz GEUIWZMVMHUVFH-GXSJLCMTSA-N -1 3 354.359 0.968 10 0 FCAEHM C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]c1cccc(-n2cnc(N(C)C)n2)c1 ZINC000570468630 491242978 /nfs/dbraw/zinc/24/29/78/491242978.db2.gz ACFAYUJJRMQWLJ-NSHDSACASA-N -1 3 366.447 0.552 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)Nc1ccc(N(C)C)nc1 ZINC000298114331 489293464 /nfs/dbraw/zinc/29/34/64/489293464.db2.gz QSFIPNYVUOTCHQ-UHFFFAOYSA-N -1 3 353.404 0.669 10 0 FCAEHM Cc1n[nH]c(C)c1[N-]S(=O)(=O)CCCS(=O)(=O)N1C[C@H](C)[C@H]1C ZINC000349475487 489294623 /nfs/dbraw/zinc/29/46/23/489294623.db2.gz FNFZIUYVLLMEQQ-JOYOIKCWSA-N -1 3 364.493 0.828 10 0 FCAEHM CC[C@@H]1CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1cnn(CC)c1 ZINC000349477442 489294941 /nfs/dbraw/zinc/29/49/41/489294941.db2.gz IXPGRXLDFKARGN-CYBMUJFWSA-N -1 3 364.493 0.849 10 0 FCAEHM Cc1ncc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@H](C)[C@H]2C)cn1 ZINC000349480376 489296275 /nfs/dbraw/zinc/29/62/75/489296275.db2.gz NBKKGOYAILXFGK-WDEREUQCSA-N -1 3 362.477 0.587 10 0 FCAEHM CN(C)C(=O)C1CCN(C(=O)C[N-]S(=O)(=O)c2ccccc2F)CC1 ZINC000298206453 489304134 /nfs/dbraw/zinc/30/41/34/489304134.db2.gz ZWFYEGIXIIBJJT-UHFFFAOYSA-N -1 3 371.434 0.431 10 0 FCAEHM Cc1n[nH]c(C)c1[N-]S(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](F)C1 ZINC000349513335 489305024 /nfs/dbraw/zinc/30/50/24/489305024.db2.gz XFANCPHYWXZCAD-LLVKDONJSA-N -1 3 368.456 0.532 10 0 FCAEHM O=S(=O)(CCCS(=O)(=O)N1CCCSCC1)[N-]c1cn[nH]c1 ZINC000349520913 489307472 /nfs/dbraw/zinc/30/74/72/489307472.db2.gz RULHCPUSLQZLDI-UHFFFAOYSA-N -1 3 368.506 0.310 10 0 FCAEHM O=S(=O)(CCCS(=O)(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1)[N-]c1cn[nH]c1 ZINC000349534198 489309624 /nfs/dbraw/zinc/30/96/24/489309624.db2.gz FZMHASNWJYNVAT-IJLUTSLNSA-N -1 3 362.477 0.650 10 0 FCAEHM CC1(C)OCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1cn[nH]c1 ZINC000349536203 489310048 /nfs/dbraw/zinc/31/00/48/489310048.db2.gz NAXRLQNVQFBKCT-LLVKDONJSA-N -1 3 366.465 0.028 10 0 FCAEHM O=S(=O)(CCCS(=O)(=O)N[C@@H]1[C@@H]2CCC[C@@H]21)[N-]c1cccnc1 ZINC000349539916 489311265 /nfs/dbraw/zinc/31/12/65/489311265.db2.gz JGGMBBPXYRDWTQ-BTTYYORXSA-N -1 3 359.473 0.931 10 0 FCAEHM CCCc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCC2)n[nH]1 ZINC000349576754 489320206 /nfs/dbraw/zinc/32/02/06/489320206.db2.gz SNTJXFKVOZLXBY-UHFFFAOYSA-N -1 3 364.493 0.920 10 0 FCAEHM O=S(=O)(CCCCS(=O)(=O)N[C@H]1[C@@H]2CCC[C@@H]21)[N-]c1cn[nH]c1 ZINC000349587650 489322068 /nfs/dbraw/zinc/32/20/68/489322068.db2.gz NQMYPYPGYAQKHX-ITGUQSILSA-N -1 3 362.477 0.650 10 0 FCAEHM COC(=O)CCS(=O)(=O)[N-]c1cccc(OCC(=O)N2CCCC2)c1 ZINC000298408776 489323824 /nfs/dbraw/zinc/32/38/24/489323824.db2.gz LKTRTQBBTACSJH-UHFFFAOYSA-N -1 3 370.427 0.993 10 0 FCAEHM C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1cn[nH]c1)C(C)(C)C ZINC000349609662 489327340 /nfs/dbraw/zinc/32/73/40/489327340.db2.gz BBIIUDVFFYWPAU-SNVBAGLBSA-N -1 3 352.482 0.896 10 0 FCAEHM O=C1CN(Cc2nc([C@H]3CN(Cc4ccccc4)CCO3)no2)C(=O)[N-]1 ZINC000349836140 489332009 /nfs/dbraw/zinc/33/20/09/489332009.db2.gz DMJUGMRZXUYVNV-CYBMUJFWSA-N -1 3 357.370 0.695 10 0 FCAEHM CN(C)c1nc(C(=O)NCc2cccc(N3CCOCC3)n2)cc(=O)[n-]1 ZINC000555291364 491244710 /nfs/dbraw/zinc/24/47/10/491244710.db2.gz ZZRYFROADXZPNT-UHFFFAOYSA-N -1 3 358.402 0.410 10 0 FCAEHM O=C([N-]c1cc(S(=O)(=O)N2CCOCC2)ccc1O)c1cnns1 ZINC000298741556 489359544 /nfs/dbraw/zinc/35/95/44/489359544.db2.gz CZVHGQAJBMNODB-UHFFFAOYSA-N -1 3 370.412 0.517 10 0 FCAEHM C[C@]1(C[C@H]2CCCN2C(=O)Cn2c3ccccc3[nH]c2=O)NC(=O)[N-]C1=O ZINC000286169962 489364238 /nfs/dbraw/zinc/36/42/38/489364238.db2.gz KBMOTLMICZMYKT-ADLMAVQZSA-N -1 3 371.397 0.309 10 0 FCAEHM C[C@]1(C[C@@H]2CCCN2C(=O)c2cnc(OCC3CC3)cn2)NC(=O)[N-]C1=O ZINC000286254958 489374134 /nfs/dbraw/zinc/37/41/34/489374134.db2.gz PJSIHGQFTPMBBH-KPZWWZAWSA-N -1 3 373.413 0.858 10 0 FCAEHM COCCOCCS(=O)(=O)[N-][C@H]1CCCN(c2ccccc2)C1=O ZINC000362135821 489376573 /nfs/dbraw/zinc/37/65/73/489376573.db2.gz JWVQYIOBBULMDE-HNNXBMFYSA-N -1 3 356.444 0.764 10 0 FCAEHM C[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F)c1nncn1C ZINC000298986753 489391345 /nfs/dbraw/zinc/39/13/45/489391345.db2.gz ICUBOODEGMPGPP-ZJUUUORDSA-N -1 3 355.395 0.498 10 0 FCAEHM Cc1sc2ncc(C(=O)N3CCC[C@@H]3c3nc(=N)n(C)[n-]3)c(=O)n2c1C ZINC000555533340 491252771 /nfs/dbraw/zinc/25/27/71/491252771.db2.gz GWJDUZHBMNEHMY-LLVKDONJSA-N -1 3 373.442 0.891 10 0 FCAEHM CCO[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000632209749 492951798 /nfs/dbraw/zinc/95/17/98/492951798.db2.gz KUNZQZQODXMLRZ-ZJUUUORDSA-N -1 3 357.354 0.911 10 0 FCAEHM COC(=O)CCS(=O)(=O)[N-]c1ccccc1CN1C(=O)CCC1=O ZINC000299225262 489420442 /nfs/dbraw/zinc/42/04/42/489420442.db2.gz WKABHCKBBSKDME-UHFFFAOYSA-N -1 3 354.384 0.640 10 0 FCAEHM CCN(CC)C(=O)Cn1cc(I)c(=O)[n-]c1=O ZINC000563548853 491254338 /nfs/dbraw/zinc/25/43/38/491254338.db2.gz ABWJQZXWEQQCTH-UHFFFAOYSA-N -1 3 351.144 0.422 10 0 FCAEHM C[C@@H](CN1CCOCC1)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000363085728 489422236 /nfs/dbraw/zinc/42/22/36/489422236.db2.gz HRDQQDHXUOACSX-HOCLYGCPSA-N -1 3 361.442 0.834 10 0 FCAEHM CCn1c(=O)[n-]c(=O)c2c(C(=O)N3CCNC(=O)CC3)cc(C(C)C)nc21 ZINC000299286215 489428503 /nfs/dbraw/zinc/42/85/03/489428503.db2.gz FUCDCLNTOZILHN-UHFFFAOYSA-N -1 3 373.413 0.603 10 0 FCAEHM CN1CCN(C)[C@H](C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)C1 ZINC000286910201 489442293 /nfs/dbraw/zinc/44/22/93/489442293.db2.gz OOTDGKXFYWNBGS-SNVBAGLBSA-N -1 3 352.382 0.625 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)c(C)o1 ZINC000371064573 489447130 /nfs/dbraw/zinc/44/71/30/489447130.db2.gz MFJVROZATCRHCE-FPMFFAJLSA-N -1 3 372.443 0.905 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)Nc1cn(C)nc1-c1ccccn1 ZINC000371165833 489460442 /nfs/dbraw/zinc/46/04/42/489460442.db2.gz OCLLYTJFZKDLOB-UHFFFAOYSA-N -1 3 367.431 0.377 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)N2CCO[C@@]3(CCOC3)C2)ccc1F ZINC000287238837 489471643 /nfs/dbraw/zinc/47/16/43/489471643.db2.gz OPXHKKNFTVJZDX-HNNXBMFYSA-N -1 3 373.406 0.757 10 0 FCAEHM COC[C@@](C)(O)CC[N-]S(=O)(=O)c1cnc2c(Cl)c(C)nn2c1 ZINC000451658439 489514409 /nfs/dbraw/zinc/51/44/09/489514409.db2.gz XOAPLKOTCGHHRV-ZDUSSCGKSA-N -1 3 362.839 0.757 10 0 FCAEHM COC[C@](C)(O)CC[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000451657298 489514469 /nfs/dbraw/zinc/51/44/69/489514469.db2.gz KHDUGHPZBQKLNV-LLVKDONJSA-N -1 3 353.238 0.910 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H]2CCCCN2CCO)c(C)o1 ZINC000451669988 489516881 /nfs/dbraw/zinc/51/68/81/489516881.db2.gz NTOYQXZACZKEDV-LBPRGKRZSA-N -1 3 360.432 0.500 10 0 FCAEHM CC[C@@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)[C@H](O)C(F)F ZINC000451706425 489518724 /nfs/dbraw/zinc/51/87/24/489518724.db2.gz GOASZZQAWAGQSK-KCJUWKMLSA-N -1 3 357.400 0.773 10 0 FCAEHM COC(=O)[C@H](C)CS(=O)(=O)[N-][C@@H]1CCCN(c2ccccc2)C1=O ZINC000371948149 489527517 /nfs/dbraw/zinc/52/75/17/489527517.db2.gz NYDMWPKXYUYEAM-TZMCWYRMSA-N -1 3 354.428 0.911 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000451897489 489529515 /nfs/dbraw/zinc/52/95/15/489529515.db2.gz UFLLZZMHQJMENW-BETUJISGSA-N -1 3 372.443 0.825 10 0 FCAEHM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1COCC1(C)C ZINC000451986991 489535955 /nfs/dbraw/zinc/53/59/55/489535955.db2.gz YHSBHYKSURXDLS-CYBMUJFWSA-N -1 3 362.473 0.640 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)[C@@]34CCC(=O)N3CCS4)cc2n(C)c1=O ZINC000555637963 491261440 /nfs/dbraw/zinc/26/14/40/491261440.db2.gz QOJNQGPFTVJVQC-INIZCTEOSA-N -1 3 362.411 0.587 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)NC1(CO)Cc2ccccc2C1 ZINC000372422156 489583209 /nfs/dbraw/zinc/58/32/09/489583209.db2.gz ODKMKICBKMMDJR-UHFFFAOYSA-N -1 3 366.464 0.673 10 0 FCAEHM COCCN1CCC[C@H]1C[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F ZINC000416394217 489589027 /nfs/dbraw/zinc/58/90/27/489589027.db2.gz YHJPSZBOSLVTLE-JTQLQIEISA-N -1 3 373.406 0.649 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)N2CCN(CCO)C[C@H]2C)ccc1F ZINC000455401743 489591783 /nfs/dbraw/zinc/59/17/83/489591783.db2.gz LKBOWTVAAUABEU-LLVKDONJSA-N -1 3 374.438 0.264 10 0 FCAEHM COc1cc(S(=O)(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)ccc1Cl ZINC000416455197 489595047 /nfs/dbraw/zinc/59/50/47/489595047.db2.gz KBWZOVHFQPQJEY-SNVBAGLBSA-N -1 3 359.791 0.273 10 0 FCAEHM COCCN1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000372538639 489596342 /nfs/dbraw/zinc/59/63/42/489596342.db2.gz VSNKZGSFDGGSTO-MRXNPFEDSA-N -1 3 361.442 0.787 10 0 FCAEHM COC(=O)CC1([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)CCC1 ZINC000427242574 489599278 /nfs/dbraw/zinc/59/92/78/489599278.db2.gz KMWXNRMGALXRMC-UHFFFAOYSA-N -1 3 361.441 0.854 10 0 FCAEHM CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cnc([O-])n(C)c1=O ZINC000427371354 489604528 /nfs/dbraw/zinc/60/45/28/489604528.db2.gz BGZCYNRZKUWMCY-UHFFFAOYSA-N -1 3 366.368 0.968 10 0 FCAEHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](CO)c1ccnn1C ZINC000416544031 489608084 /nfs/dbraw/zinc/60/80/84/489608084.db2.gz FXQCZUYKWCHFBO-NSHDSACASA-N -1 3 373.818 0.872 10 0 FCAEHM Cn1nccc1[C@@H](CO)[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000416555534 489609254 /nfs/dbraw/zinc/60/92/54/489609254.db2.gz XMLXJCMDXFMSQU-SECBINFHSA-N -1 3 361.221 0.590 10 0 FCAEHM O=S(=O)([N-]C[C@H](O)Cn1ccnn1)c1ccc(F)cc1C(F)(F)F ZINC000416569400 489611017 /nfs/dbraw/zinc/61/10/17/489611017.db2.gz YCESMFTZSGJVDU-VIFPVBQESA-N -1 3 368.312 0.775 10 0 FCAEHM CN(C)c1cc(NC(=O)CN2CC(=O)[N-]C2=O)ncc1Br ZINC000456672418 489622275 /nfs/dbraw/zinc/62/22/75/489622275.db2.gz PPJXKSXNHYEZEF-UHFFFAOYSA-N -1 3 356.180 0.400 10 0 FCAEHM CC(C)n1cc(C(=O)NCc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)nn1 ZINC000555728233 491268194 /nfs/dbraw/zinc/26/81/94/491268194.db2.gz ZINVSSIOFRCDIM-QGZVFWFLSA-N -1 3 356.386 0.844 10 0 FCAEHM CS(=O)(=O)c1cccnc1CNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000428021364 489633010 /nfs/dbraw/zinc/63/30/10/489633010.db2.gz MYPUHXHCPSMUSE-UHFFFAOYSA-N -1 3 359.363 0.299 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N(CCOC)Cc2ccnn2C)cn1 ZINC000428698041 489661153 /nfs/dbraw/zinc/66/11/53/489661153.db2.gz DHBVVSJJEWNQLH-UHFFFAOYSA-N -1 3 367.431 0.012 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)NC2CCC(C(F)F)CC2)c1 ZINC000458183486 489672992 /nfs/dbraw/zinc/67/29/92/489672992.db2.gz ROSDPRKSUMLCPD-UHFFFAOYSA-N -1 3 350.391 0.639 10 0 FCAEHM CC1(C)COC[C@@H]1NC(=O)NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000458230595 489674376 /nfs/dbraw/zinc/67/43/76/489674376.db2.gz RBLIOXJATAOSOH-UGSOOPFHSA-N -1 3 360.414 0.965 10 0 FCAEHM CC1(C)COC[C@@H]1NC(=O)NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000458230591 489674651 /nfs/dbraw/zinc/67/46/51/489674651.db2.gz RBLIOXJATAOSOH-SCLBCKFNSA-N -1 3 360.414 0.965 10 0 FCAEHM Cc1nnc(CC[N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)n1C ZINC000429317955 489681413 /nfs/dbraw/zinc/68/14/13/489681413.db2.gz MEAYOXGWWTYNBX-UHFFFAOYSA-N -1 3 358.445 0.048 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@@H]2CCCC(F)(F)C2)cn1C ZINC000489008017 489690394 /nfs/dbraw/zinc/69/03/94/489690394.db2.gz HBHKJUPYVLLPTO-SNVBAGLBSA-N -1 3 350.391 0.701 10 0 FCAEHM Cn1ncc(Cl)c1S(=O)(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000429821667 489703175 /nfs/dbraw/zinc/70/31/75/489703175.db2.gz RPQCXYGFYXCIRO-UHFFFAOYSA-N -1 3 372.834 0.878 10 0 FCAEHM O=C([N-]c1cnns1)C(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000430013872 489714661 /nfs/dbraw/zinc/71/46/61/489714661.db2.gz YDXSNEWZBBPTDB-LLVKDONJSA-N -1 3 363.374 0.533 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCCC[C@H]1COC(=O)N1CCCCC1 ZINC000376474929 489739769 /nfs/dbraw/zinc/73/97/69/489739769.db2.gz PTCKTWGMLOXCRW-STQMWFEESA-N -1 3 366.418 0.588 10 0 FCAEHM NC(=O)c1cn(C2CN(Cc3cccc([O-])c3Br)C2)nn1 ZINC000459616601 489742199 /nfs/dbraw/zinc/74/21/99/489742199.db2.gz GTLADHYXMWNGDA-UHFFFAOYSA-N -1 3 352.192 0.902 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2C[C@H](C)O[C@@H](C)[C@H]2C)cn1C ZINC000474342370 489755790 /nfs/dbraw/zinc/75/57/90/489755790.db2.gz UYBUZMYCFWKTBY-TUAOUCFPSA-N -1 3 358.464 0.421 10 0 FCAEHM CCOC(=O)C(CC)(CC)[N-]S(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000490557643 489773895 /nfs/dbraw/zinc/77/38/95/489773895.db2.gz QHOAVHLSLYIKHU-UHFFFAOYSA-N -1 3 355.478 0.605 10 0 FCAEHM COc1nc(NC(=O)CC[S@](=O)c2ccc3c(c2)OCCO3)n[n-]1 ZINC000490621491 489777099 /nfs/dbraw/zinc/77/70/99/489777099.db2.gz IYUWNPGQEDVRSO-DEOSSOPVSA-N -1 3 352.372 0.721 10 0 FCAEHM COc1nnc(NC(=O)CC[S@](=O)c2ccc3c(c2)OCCO3)[n-]1 ZINC000490621491 489777103 /nfs/dbraw/zinc/77/71/03/489777103.db2.gz IYUWNPGQEDVRSO-DEOSSOPVSA-N -1 3 352.372 0.721 10 0 FCAEHM COc1n[n-]c(NC(=O)CC[S@](=O)c2ccc3c(c2)OCCO3)n1 ZINC000490621491 489777106 /nfs/dbraw/zinc/77/71/06/489777106.db2.gz IYUWNPGQEDVRSO-DEOSSOPVSA-N -1 3 352.372 0.721 10 0 FCAEHM COc1nc(NC(=O)CN(C)S(=O)(=O)c2ccc(C)c(C)c2)n[n-]1 ZINC000490621053 489777466 /nfs/dbraw/zinc/77/74/66/489777466.db2.gz GOEPCSBVGLSGSA-UHFFFAOYSA-N -1 3 353.404 0.689 10 0 FCAEHM COc1nnc(NC(=O)CN(C)S(=O)(=O)c2ccc(C)c(C)c2)[n-]1 ZINC000490621053 489777470 /nfs/dbraw/zinc/77/74/70/489777470.db2.gz GOEPCSBVGLSGSA-UHFFFAOYSA-N -1 3 353.404 0.689 10 0 FCAEHM COc1n[n-]c(NC(=O)CN(C)S(=O)(=O)c2ccc(C)c(C)c2)n1 ZINC000490621053 489777475 /nfs/dbraw/zinc/77/74/75/489777475.db2.gz GOEPCSBVGLSGSA-UHFFFAOYSA-N -1 3 353.404 0.689 10 0 FCAEHM CCOC(=O)C1(CNC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)CC1 ZINC000474685188 489779368 /nfs/dbraw/zinc/77/93/68/489779368.db2.gz MQQRKQHVDUZFLB-NSHDSACASA-N -1 3 372.418 0.952 10 0 FCAEHM COc1nnc(NC(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)[n-]1 ZINC000490698278 489780844 /nfs/dbraw/zinc/78/08/44/489780844.db2.gz WXWLWICTSNUBCC-UHFFFAOYSA-N -1 3 351.388 0.754 10 0 FCAEHM COc1nc(NC(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)n[n-]1 ZINC000490698278 489780849 /nfs/dbraw/zinc/78/08/49/489780849.db2.gz WXWLWICTSNUBCC-UHFFFAOYSA-N -1 3 351.388 0.754 10 0 FCAEHM COc1n[n-]c(NC(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)n1 ZINC000490698278 489780853 /nfs/dbraw/zinc/78/08/53/489780853.db2.gz WXWLWICTSNUBCC-UHFFFAOYSA-N -1 3 351.388 0.754 10 0 FCAEHM CCOC(=O)[C@@H](Cc1ccccc1Cl)NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000474847273 489789480 /nfs/dbraw/zinc/78/94/80/489789480.db2.gz YSXSEMJIDXTRNW-NWDGAFQWSA-N -1 3 367.789 0.529 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)[C@H]2COCCN2CC(F)(F)F)n[n-]1 ZINC000376838908 489803236 /nfs/dbraw/zinc/80/32/36/489803236.db2.gz LEXHTCYVAHMXPW-SNVBAGLBSA-N -1 3 358.324 1.012 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)[C@H]2COCCN2CC(F)(F)F)[n-]n1 ZINC000376838908 489803239 /nfs/dbraw/zinc/80/32/39/489803239.db2.gz LEXHTCYVAHMXPW-SNVBAGLBSA-N -1 3 358.324 1.012 10 0 FCAEHM COC(=O)Cn1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])n1 ZINC000376846576 489805254 /nfs/dbraw/zinc/80/52/54/489805254.db2.gz SELBJUNBZKZXON-CYBMUJFWSA-N -1 3 372.381 1.005 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)NCC2(CCO)CCC2)cn1C ZINC000493199551 489841741 /nfs/dbraw/zinc/84/17/41/489841741.db2.gz GOPIJPGBSYGKLQ-UHFFFAOYSA-N -1 3 358.464 0.066 10 0 FCAEHM CNC(=O)[C@@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1c(C)cccc1F ZINC000475802632 489849394 /nfs/dbraw/zinc/84/93/94/489849394.db2.gz BVBMLSQNEDPDLG-LBPRGKRZSA-N -1 3 357.407 0.149 10 0 FCAEHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000432661466 489851284 /nfs/dbraw/zinc/85/12/84/489851284.db2.gz WHIPAKGOLHCNQM-LLVKDONJSA-N -1 3 352.420 0.565 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)C2C[C@@H]3COC[C@H](C2)C3=O)ccc1F ZINC000377133189 489856750 /nfs/dbraw/zinc/85/67/50/489856750.db2.gz LJLJSNXSOAZYKI-FGWVZKOKSA-N -1 3 370.402 0.914 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)NC2CCC(C(N)=O)CC2)s1 ZINC000475990713 489860181 /nfs/dbraw/zinc/86/01/81/489860181.db2.gz WMZHZLZRVXMIQV-UHFFFAOYSA-N -1 3 374.488 0.500 10 0 FCAEHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCO[C@@H](C2CC2)C1 ZINC000493929239 489863961 /nfs/dbraw/zinc/86/39/61/489863961.db2.gz XRZFAFKNDKBRGC-CYBMUJFWSA-N -1 3 374.484 0.784 10 0 FCAEHM Cc1nnc(C[N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)n1C1CC1 ZINC000460482503 489868109 /nfs/dbraw/zinc/86/81/09/489868109.db2.gz FROAYEFBESNERP-UHFFFAOYSA-N -1 3 370.456 0.803 10 0 FCAEHM O=C1[N-]C(=O)[C@@]2(CCCN(S(=O)(=O)Cc3noc4ccccc34)C2)N1 ZINC000433440678 489883204 /nfs/dbraw/zinc/88/32/04/489883204.db2.gz UKDUVNYWEBSTNS-HNNXBMFYSA-N -1 3 364.383 0.332 10 0 FCAEHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]Cc2cc(C(N)=O)co2)s1 ZINC000494341976 489884689 /nfs/dbraw/zinc/88/46/89/489884689.db2.gz SJVDJXVVFRVQMO-UHFFFAOYSA-N -1 3 374.396 0.714 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)[C@](C)(O)Cn3ccccc3=O)cc2n(C)c1=O ZINC000461617849 489922207 /nfs/dbraw/zinc/92/22/07/489922207.db2.gz HOOZOUJAMJNQLW-GOSISDBHSA-N -1 3 372.381 0.134 10 0 FCAEHM Cc1occc1C(=O)NCC(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000461614953 489922217 /nfs/dbraw/zinc/92/22/17/489922217.db2.gz QQHWYOVQHZLACJ-UHFFFAOYSA-N -1 3 358.354 0.853 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)CNC(=O)c3ccccc3)cc2n(C)c1=O ZINC000461622564 489922804 /nfs/dbraw/zinc/92/28/04/489922804.db2.gz DDBRPHKVFMKINH-UHFFFAOYSA-N -1 3 354.366 0.951 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)CNC(=O)c3cccnc3)cc2n(C)c1=O ZINC000461621400 489923211 /nfs/dbraw/zinc/92/32/11/489923211.db2.gz USORQSOJNZCALJ-UHFFFAOYSA-N -1 3 355.354 0.346 10 0 FCAEHM COC(=O)C[C@H](NC(=O)CN1CC(=O)[N-]C1=O)c1ccc(Cl)cc1 ZINC000477614533 489977503 /nfs/dbraw/zinc/97/75/03/489977503.db2.gz ZONLNCYOQBGCQA-NSHDSACASA-N -1 3 353.762 0.612 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1ccc(NC(=O)c2ccccc2)cn1 ZINC000477886347 489996084 /nfs/dbraw/zinc/99/60/84/489996084.db2.gz IMUKFFVBMJJQEK-UHFFFAOYSA-N -1 3 353.338 0.824 10 0 FCAEHM O=C(NC[C@]1(CCO)CCOC1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436635056 490009689 /nfs/dbraw/zinc/00/96/89/490009689.db2.gz MFALGMGTQACAJX-KXBFYZLASA-N -1 3 362.426 0.902 10 0 FCAEHM NC(=O)NC[C@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000436624596 490010267 /nfs/dbraw/zinc/01/02/67/490010267.db2.gz LXLMPKRASBHAEU-HIFRSBDPSA-N -1 3 374.441 0.904 10 0 FCAEHM CNC(=O)N1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000436626135 490010332 /nfs/dbraw/zinc/01/03/32/490010332.db2.gz OBPSSVXVIIYMEO-CQSZACIVSA-N -1 3 360.414 0.480 10 0 FCAEHM CCOC(=O)[C@@H](CO)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436743738 490011945 /nfs/dbraw/zinc/01/19/45/490011945.db2.gz ZXYLASXDPVZXHI-OLZOCXBDSA-N -1 3 350.371 0.037 10 0 FCAEHM CC1(C)Cc2ccc(C(=O)NCCOCCS(N)(=O)=O)c([O-])c2O1 ZINC000436732405 490012114 /nfs/dbraw/zinc/01/21/14/490012114.db2.gz TZBVKFFPSSLMAF-UHFFFAOYSA-N -1 3 358.416 0.141 10 0 FCAEHM O=C(NCCNc1cnccn1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436763334 490012646 /nfs/dbraw/zinc/01/26/46/490012646.db2.gz KAZRPZGWPPZGDH-AWEZNQCLSA-N -1 3 355.398 1.015 10 0 FCAEHM CCOC(=O)[C@](C)(O)CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436820415 490014025 /nfs/dbraw/zinc/01/40/25/490014025.db2.gz LMKQLDOHUPHVGQ-SCLBCKFNSA-N -1 3 364.398 0.427 10 0 FCAEHM CN(C)CCN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-])C1CC1 ZINC000436907653 490015355 /nfs/dbraw/zinc/01/53/55/490015355.db2.gz GILSYGUUWIVLEW-UHFFFAOYSA-N -1 3 355.460 0.809 10 0 FCAEHM CNS(=O)(=O)CCC[S@@](=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000478352065 490016360 /nfs/dbraw/zinc/01/63/60/490016360.db2.gz DNUWXMRBYFZIJY-OAQYLSRUSA-N -1 3 361.367 0.389 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000378385931 490058202 /nfs/dbraw/zinc/05/82/02/490058202.db2.gz ZGHKGJLZGACAPS-SNVBAGLBSA-N -1 3 372.303 0.632 10 0 FCAEHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000443305411 490069716 /nfs/dbraw/zinc/06/97/16/490069716.db2.gz GGNSEGWOEGLSDM-UMNHJUIQSA-N -1 3 370.402 0.900 10 0 FCAEHM C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000479256323 490078172 /nfs/dbraw/zinc/07/81/72/490078172.db2.gz XGQQQTTWNAETIO-QAMHXRKUSA-N -1 3 358.398 0.467 10 0 FCAEHM C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000479256322 490078964 /nfs/dbraw/zinc/07/89/64/490078964.db2.gz XGQQQTTWNAETIO-MYFIVHGGSA-N -1 3 358.398 0.467 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)NCc1noc(C2CC2)n1 ZINC000495535785 490081284 /nfs/dbraw/zinc/08/12/84/490081284.db2.gz XYYGMOQUDKKUFI-UHFFFAOYSA-N -1 3 367.365 0.835 10 0 FCAEHM CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000519821041 490090952 /nfs/dbraw/zinc/09/09/52/490090952.db2.gz CTIXOWDPHCVJSQ-AHIWAGSCSA-N -1 3 358.402 0.839 10 0 FCAEHM CN(C)c1ncc(NC(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C2CC2)cn1 ZINC000532789860 490116820 /nfs/dbraw/zinc/11/68/20/490116820.db2.gz WLFMUYWVTUNEGZ-UHFFFAOYSA-N -1 3 367.369 0.940 10 0 FCAEHM COCC[C@]1([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)CCOC1 ZINC000445061221 490124562 /nfs/dbraw/zinc/12/45/62/490124562.db2.gz CDKIKBZXBQOJCW-AWEZNQCLSA-N -1 3 363.457 0.564 10 0 FCAEHM Cc1ccc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)cc1C(=O)N1CCOCC1 ZINC000571340561 491301728 /nfs/dbraw/zinc/30/17/28/491301728.db2.gz GREWOXUCUDSYGT-ZDUSSCGKSA-N -1 3 360.370 0.004 10 0 FCAEHM O=C(N[C@H](c1ccccc1)[C@@H]1CCOC1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000545434809 490135779 /nfs/dbraw/zinc/13/57/79/490135779.db2.gz QAQBKKWYEBOSMV-RBSFLKMASA-N -1 3 358.398 0.710 10 0 FCAEHM C[C@@H](NC(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1)c1cn(-c2ccccc2)nn1 ZINC000545433865 490135955 /nfs/dbraw/zinc/13/59/55/490135955.db2.gz LVRFNKZEGOZZRO-RISCZKNCSA-N -1 3 369.385 0.274 10 0 FCAEHM NC(=O)C[C@@H]1CCCCN1C(=O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000497310632 490143077 /nfs/dbraw/zinc/14/30/77/490143077.db2.gz DDMMTXABCPDFRZ-LBPRGKRZSA-N -1 3 371.434 0.751 10 0 FCAEHM C[C@@H](C(=O)Nc1cc(-c2nccn2C)[n-]n1)S(=O)(=O)C1CCOCC1 ZINC000532940509 490143210 /nfs/dbraw/zinc/14/32/10/490143210.db2.gz WNTJMYZQGHAETH-JTQLQIEISA-N -1 3 367.431 0.731 10 0 FCAEHM Cn1cnc(C[N-]S(=O)(=O)c2ccc(NC(=O)c3ccncc3)cc2)n1 ZINC000445743147 490144251 /nfs/dbraw/zinc/14/42/51/490144251.db2.gz LQKJTLVHQGVXNY-UHFFFAOYSA-N -1 3 372.410 0.941 10 0 FCAEHM COCCOC1CN(C(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)C1 ZINC000480004877 490147940 /nfs/dbraw/zinc/14/79/40/490147940.db2.gz DCNSTNBRZJASQJ-UHFFFAOYSA-N -1 3 372.425 0.947 10 0 FCAEHM O=C(NCc1ncc(-c2ccccc2)cn1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000545904510 490165290 /nfs/dbraw/zinc/16/52/90/490165290.db2.gz VOANJIATMHDRQL-CQSZACIVSA-N -1 3 366.381 0.589 10 0 FCAEHM COC(=O)CCCCNC(=O)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000520623963 490172324 /nfs/dbraw/zinc/17/23/24/490172324.db2.gz FCKDRQLMVWCWKX-UHFFFAOYSA-N -1 3 359.382 0.717 10 0 FCAEHM COC(=O)c1sc2[n-]c(CN(C)Cc3nnnn3C)nc(=O)c2c1C ZINC000466466980 490186275 /nfs/dbraw/zinc/18/62/75/490186275.db2.gz SGJWKWDRFVTTFK-UHFFFAOYSA-N -1 3 363.403 0.235 10 0 FCAEHM COC(=O)C1([N-]S(=O)(=O)C2CCS(=O)(=O)CC2)CCCCCC1 ZINC000407969894 490189365 /nfs/dbraw/zinc/18/93/65/490189365.db2.gz ABKPETDHRYPLBC-UHFFFAOYSA-N -1 3 367.489 0.749 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCc3ccc(F)c(F)c3C2)c1 ZINC000533184082 490191378 /nfs/dbraw/zinc/19/13/78/490191378.db2.gz AJVIYGIEICPEHH-UHFFFAOYSA-N -1 3 370.381 0.562 10 0 FCAEHM CN(C)c1nc(C(=O)N2CCC[C@H]2C(=O)N2CCSCC2)cc(=O)[n-]1 ZINC000407987802 490194186 /nfs/dbraw/zinc/19/41/86/490194186.db2.gz FFPFASDQMLIOJC-LBPRGKRZSA-N -1 3 365.459 0.428 10 0 FCAEHM COCCCOC1CN(C(=O)CC[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000480503802 490204694 /nfs/dbraw/zinc/20/46/94/490204694.db2.gz ZKIWIBDHPCDYLU-UHFFFAOYSA-N -1 3 374.434 0.758 10 0 FCAEHM CN(CC(=O)NC(C)(C)C)C(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000480550548 490209830 /nfs/dbraw/zinc/20/98/30/490209830.db2.gz FKDXMOITODQXDZ-GOSISDBHSA-N -1 3 360.414 0.728 10 0 FCAEHM C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)CN1CC(=O)[N-]C1=O ZINC000521056405 490219286 /nfs/dbraw/zinc/21/92/86/490219286.db2.gz FFHUWXSTDMGBEG-SNVBAGLBSA-N -1 3 353.400 0.161 10 0 FCAEHM C[C@]1(C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)CCCN1C(=O)c1ccccc1 ZINC000408033281 490219586 /nfs/dbraw/zinc/21/95/86/490219586.db2.gz JXHSKMQBEAVQSI-IFXJQAMLSA-N -1 3 370.409 0.444 10 0 FCAEHM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccncc2Br)cn1C ZINC000481939905 490236517 /nfs/dbraw/zinc/23/65/17/490236517.db2.gz CVWATIWVWJTSCD-UHFFFAOYSA-N -1 3 373.232 0.765 10 0 FCAEHM C[C@@H]1CCCN1S(=O)(=O)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1 ZINC000546728841 490237393 /nfs/dbraw/zinc/23/73/93/490237393.db2.gz UMYISAKSBKHXHP-ZWNOBZJWSA-N -1 3 352.416 0.578 10 0 FCAEHM CC(C)c1noc(CCCNC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)n1 ZINC000546819357 490248792 /nfs/dbraw/zinc/24/87/92/490248792.db2.gz UDUXCPUOOSIURC-SNVBAGLBSA-N -1 3 350.379 0.071 10 0 FCAEHM COc1ccccc1N1CC[C@@H](NC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)C1 ZINC000546847992 490251118 /nfs/dbraw/zinc/25/11/18/490251118.db2.gz MXPULBDNBAULAI-OCCSQVGLSA-N -1 3 373.413 0.220 10 0 FCAEHM Cc1nc(C[N-]S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)no1 ZINC000467085673 490252234 /nfs/dbraw/zinc/25/22/34/490252234.db2.gz NPXGHDOERLQMFU-UHFFFAOYSA-N -1 3 364.383 0.484 10 0 FCAEHM C[C@H]1CCCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)[C@@H]1CO ZINC000408141596 490256476 /nfs/dbraw/zinc/25/64/76/490256476.db2.gz UURDQHGHOKTAIJ-WCBMZHEXSA-N -1 3 360.208 0.331 10 0 FCAEHM COCCCOc1ccc(C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)cn1 ZINC000447747285 490264926 /nfs/dbraw/zinc/26/49/26/490264926.db2.gz TWTASTAKPPXLMG-QGZVFWFLSA-N -1 3 362.386 0.311 10 0 FCAEHM Cc1ccccc1[C@@H](CC(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O)NC(N)=O ZINC000447747248 490264973 /nfs/dbraw/zinc/26/49/73/490264973.db2.gz SWOVLEAYZCFWOR-FZKQIMNGSA-N -1 3 373.413 0.295 10 0 FCAEHM C[C@@]1(C[C@@H]2CCCN2C(=O)c2cc3c(cn2)OCCO3)NC(=O)[N-]C1=O ZINC000521614176 490281988 /nfs/dbraw/zinc/28/19/88/490281988.db2.gz AICKSWQJKCAIRY-BTDLBPIBSA-N -1 3 360.370 0.446 10 0 FCAEHM CCCn1c(=O)[n-]nc1S(=O)(=O)Cc1ccc(S(C)(=O)=O)cc1 ZINC000556412840 491314324 /nfs/dbraw/zinc/31/43/24/491314324.db2.gz SNRBHZYQMWAKCY-UHFFFAOYSA-N -1 3 359.429 0.771 10 0 FCAEHM COc1cc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)nn1C ZINC000547516603 490308766 /nfs/dbraw/zinc/30/87/66/490308766.db2.gz HOWYROGZRWNJJO-UHFFFAOYSA-N -1 3 359.386 1.124 10 0 FCAEHM C[C@H]1CCCN(S(=O)(=O)[N-][C@@H]2CCCN(c3ccnn3C)C2=O)C1 ZINC000408386172 490322314 /nfs/dbraw/zinc/32/23/14/490322314.db2.gz NZJUHUZRYPTMHZ-QWHCGFSZSA-N -1 3 355.464 0.482 10 0 FCAEHM C[C@@H]1CCCN(S(=O)(=O)[N-][C@@H]2CCCN(c3ccnn3C)C2=O)C1 ZINC000408386170 490322661 /nfs/dbraw/zinc/32/26/61/490322661.db2.gz NZJUHUZRYPTMHZ-CHWSQXEVSA-N -1 3 355.464 0.482 10 0 FCAEHM CC(=O)N1CSC[C@H]1C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000408410572 490329418 /nfs/dbraw/zinc/32/94/18/490329418.db2.gz UWFVZVTWAHUGFB-HNNXBMFYSA-N -1 3 363.439 0.598 10 0 FCAEHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@H](O)C2(CC2)C1 ZINC000547642845 490333524 /nfs/dbraw/zinc/33/35/24/490333524.db2.gz WCUKTZDTULZBFJ-ZDUSSCGKSA-N -1 3 360.457 0.130 10 0 FCAEHM Cn1nc2c(c1CNC(=O)C[N-]S(=O)(=O)c1cccs1)CCCC2 ZINC000522050169 490334212 /nfs/dbraw/zinc/33/42/12/490334212.db2.gz YZKJSHLTPBINCV-UHFFFAOYSA-N -1 3 368.484 0.955 10 0 FCAEHM CCOC(=O)[C@@H](CCOC)NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000467832942 490345824 /nfs/dbraw/zinc/34/58/24/490345824.db2.gz FHJOJDUBCBHZEO-CYBMUJFWSA-N -1 3 358.416 0.756 10 0 FCAEHM C[C@@](O)(Cn1ccccc1=O)C(=O)[N-]c1nncn1Cc1ccccc1 ZINC000547733600 490349339 /nfs/dbraw/zinc/34/93/39/490349339.db2.gz WGCMTRGBNNEWCX-GOSISDBHSA-N -1 3 353.382 0.878 10 0 FCAEHM CC(=O)N1CCN(C(=O)Nc2ccc(C[C@H]3NC(=O)[N-]C3=O)cc2)[C@@H](C)C1 ZINC000547831301 490365375 /nfs/dbraw/zinc/36/53/75/490365375.db2.gz OLYLWZHYCSSREH-XHDPSFHLSA-N -1 3 373.413 0.522 10 0 FCAEHM CCOC(=O)c1cc(C(=O)NCc2ccc(S(=O)(=O)[N-]C)s2)on1 ZINC000448642864 490369430 /nfs/dbraw/zinc/36/94/30/490369430.db2.gz UNGMZKPZTWHJRW-UHFFFAOYSA-N -1 3 373.412 0.751 10 0 FCAEHM Cn1ccc(CNC(=O)NCc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)n1 ZINC000498968916 490373795 /nfs/dbraw/zinc/37/37/95/490373795.db2.gz PWXSDOAVPILENR-QGZVFWFLSA-N -1 3 356.386 0.474 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(C)CC(=O)NC1CC1 ZINC000534580196 490384069 /nfs/dbraw/zinc/38/40/69/490384069.db2.gz WQVWKIKEGRYDJU-UHFFFAOYSA-N -1 3 369.425 0.810 10 0 FCAEHM CC(=O)N[C@H](CC(=O)Nc1[n-]nnc1C(=O)NC1CC1)c1ccccc1 ZINC000411102138 490389050 /nfs/dbraw/zinc/38/90/50/490389050.db2.gz AXZSOQDULMTSDZ-CYBMUJFWSA-N -1 3 356.386 0.903 10 0 FCAEHM CC(=O)N[C@H](CC(=O)Nc1nn[n-]c1C(=O)NC1CC1)c1ccccc1 ZINC000411102138 490389060 /nfs/dbraw/zinc/38/90/60/490389060.db2.gz AXZSOQDULMTSDZ-CYBMUJFWSA-N -1 3 356.386 0.903 10 0 FCAEHM CC(=O)N[C@H](CC(=O)Nc1n[n-]nc1C(=O)NC1CC1)c1ccccc1 ZINC000411102138 490389070 /nfs/dbraw/zinc/38/90/70/490389070.db2.gz AXZSOQDULMTSDZ-CYBMUJFWSA-N -1 3 356.386 0.903 10 0 FCAEHM CNC(=O)c1nn[n-]c1NC(=O)Cc1nnn(-c2ccc(C)cc2)c1C ZINC000411103007 490389198 /nfs/dbraw/zinc/38/91/98/490389198.db2.gz ZEHNFEUVFHUGMD-UHFFFAOYSA-N -1 3 354.374 0.543 10 0 FCAEHM CNC(=O)c1[n-]nnc1NC(=O)Cc1nnn(-c2ccc(C)cc2)c1C ZINC000411103007 490389207 /nfs/dbraw/zinc/38/92/07/490389207.db2.gz ZEHNFEUVFHUGMD-UHFFFAOYSA-N -1 3 354.374 0.543 10 0 FCAEHM CNC(=O)c1n[n-]nc1NC(=O)Cc1nnn(-c2ccc(C)cc2)c1C ZINC000411103007 490389208 /nfs/dbraw/zinc/38/92/08/490389208.db2.gz ZEHNFEUVFHUGMD-UHFFFAOYSA-N -1 3 354.374 0.543 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H](C)c2cn[nH]c2)ccc1F ZINC000499271337 490406704 /nfs/dbraw/zinc/40/67/04/490406704.db2.gz PSYPFXKWRIATTQ-QMMMGPOBSA-N -1 3 369.378 0.273 10 0 FCAEHM COc1cc(NC(=O)c2cc(C3CC3)nc3c2c(=O)[n-]c(=O)n3C)nn1C ZINC000548143095 490429505 /nfs/dbraw/zinc/42/95/05/490429505.db2.gz SAFBHNJZXBOVMJ-UHFFFAOYSA-N -1 3 370.369 0.906 10 0 FCAEHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000534974075 490430715 /nfs/dbraw/zinc/43/07/15/490430715.db2.gz LBNAULQBKNPRBY-UHFFFAOYSA-N -1 3 374.357 0.496 10 0 FCAEHM O=C(c1nc[nH]c1C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O)c1ccccc1 ZINC000509508364 490434293 /nfs/dbraw/zinc/43/42/93/490434293.db2.gz GGZAEGINAHAODI-GOSISDBHSA-N -1 3 367.365 0.455 10 0 FCAEHM O=C([N-]c1nccn1-c1ccccc1)C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000411366130 490440442 /nfs/dbraw/zinc/44/04/42/490440442.db2.gz DSIKORJDZFKUGH-SFHVURJKSA-N -1 3 356.382 0.829 10 0 FCAEHM CCOC(=O)c1cc(C(=O)NCC[N-]S(=O)(=O)c2cccs2)on1 ZINC000450186922 490448465 /nfs/dbraw/zinc/44/84/65/490448465.db2.gz YBJZOHHFHHLRHL-UHFFFAOYSA-N -1 3 373.412 0.621 10 0 FCAEHM CCn1c(=O)[n-]c(=O)c2c(C(=O)N3CC(C)(C(N)=O)C3)cc(C3CC3)nc21 ZINC000571765028 491327796 /nfs/dbraw/zinc/32/77/96/491327796.db2.gz RBHCPAASVIDZTE-UHFFFAOYSA-N -1 3 371.397 0.342 10 0 FCAEHM CO[C@@H]1C[C@@H](CC(=O)[O-])N(C[C@@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000571767542 491327820 /nfs/dbraw/zinc/32/78/20/491327820.db2.gz AFLARECVGVYGRK-OUCADQQQSA-N -1 3 353.371 0.719 10 0 FCAEHM CCc1noc(-c2ccc(CCNC(=O)C[C@@H]3NC(=O)[N-]C3=O)cc2)n1 ZINC000484775447 490467174 /nfs/dbraw/zinc/46/71/74/490467174.db2.gz LCLRFCLORZUJAR-LBPRGKRZSA-N -1 3 357.370 0.556 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000523580610 490476467 /nfs/dbraw/zinc/47/64/67/490476467.db2.gz XVKARAZEXGNZSG-WDEREUQCSA-N -1 3 352.188 0.973 10 0 FCAEHM CN(Cc1cnccn1)C(=O)NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000524016496 490510317 /nfs/dbraw/zinc/51/03/17/490510317.db2.gz LNPVHJNBEUFDIX-SFHVURJKSA-N -1 3 368.397 0.873 10 0 FCAEHM Cn1cc(C(=O)N2CSC[C@H]2C(=O)Nc2ccccc2)c(=O)[n-]c1=O ZINC000524059726 490514294 /nfs/dbraw/zinc/51/42/94/490514294.db2.gz ALJRPYAZNLQXSN-LBPRGKRZSA-N -1 3 360.395 0.640 10 0 FCAEHM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)[N-]Cc2noc(C3CC3)n2)C1 ZINC000535710378 490514667 /nfs/dbraw/zinc/51/46/67/490514667.db2.gz WSGYLCRKZJSBCJ-LLVKDONJSA-N -1 3 358.420 0.557 10 0 FCAEHM O=C([C@H](OC1CCOCC1)c1ccccc1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000535725813 490517271 /nfs/dbraw/zinc/51/72/71/490517271.db2.gz MYJGPDDYAHMNGJ-JKSUJKDBSA-N -1 3 373.409 0.686 10 0 FCAEHM COC(=O)c1ncccc1S(=O)(=O)[N-]CC(=O)NC1CCCCC1 ZINC000451138409 490519827 /nfs/dbraw/zinc/51/98/27/490519827.db2.gz KWSLGLMPTIREGH-UHFFFAOYSA-N -1 3 355.416 0.595 10 0 FCAEHM CNC(=O)[C@H](C)NC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000536022523 490547623 /nfs/dbraw/zinc/54/76/23/490547623.db2.gz IGNLEAXHEHMSMJ-VIFPVBQESA-N -1 3 371.440 0.684 10 0 FCAEHM Cc1nc(C(=O)Nc2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)c(=O)[nH]c1C ZINC000536074049 490551382 /nfs/dbraw/zinc/55/13/82/490551382.db2.gz RMAQMDDZTSIMLD-QGZVFWFLSA-N -1 3 355.354 0.694 10 0 FCAEHM CCOC(=O)[C@H]([N-]S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1)C1CCOCC1 ZINC000536157161 490557459 /nfs/dbraw/zinc/55/74/59/490557459.db2.gz GVUJZDHCPQCWBN-SGMGOOAPSA-N -1 3 364.464 0.288 10 0 FCAEHM COCCOc1ccc(Br)cc1S(=O)(=O)[N-]CCO ZINC000485839767 490562633 /nfs/dbraw/zinc/56/26/33/490562633.db2.gz MZVPMXSXUWBKMT-UHFFFAOYSA-N -1 3 354.222 0.745 10 0 FCAEHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C(N)=O)C1 ZINC000485845091 490563046 /nfs/dbraw/zinc/56/30/46/490563046.db2.gz DPEIJXSILUJZEC-VHSXEESVSA-N -1 3 358.416 0.951 10 0 FCAEHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H]2CCC(=O)N(C)C2)c1 ZINC000485844980 490563444 /nfs/dbraw/zinc/56/34/44/490563444.db2.gz YIROPHPVIYZJMI-LBPRGKRZSA-N -1 3 358.391 0.902 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N(Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000549567552 490589660 /nfs/dbraw/zinc/58/96/60/490589660.db2.gz NRUDXIYOGMXKSR-UHFFFAOYSA-N -1 3 354.370 0.310 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)Cn2nnc(-c3ccccc3)n2)nc1=N ZINC000549729036 490597050 /nfs/dbraw/zinc/59/70/50/490597050.db2.gz SVCQLDPELZKCIB-LBPRGKRZSA-N -1 3 353.390 0.245 10 0 FCAEHM CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000549731150 490597979 /nfs/dbraw/zinc/59/79/79/490597979.db2.gz DHAQBBYVBDZNLJ-QWRGUYRKSA-N -1 3 352.391 0.431 10 0 FCAEHM COCCN1CCC[C@H]1C[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000549743503 490599034 /nfs/dbraw/zinc/59/90/34/490599034.db2.gz FGOATRLJSAAMML-JTQLQIEISA-N -1 3 370.397 0.828 10 0 FCAEHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]C[C@]1(CCO)CCOC1 ZINC000486410779 490620870 /nfs/dbraw/zinc/62/08/70/490620870.db2.gz VSMVNSVOYRPKRM-HNNXBMFYSA-N -1 3 361.416 0.696 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)CNC(=O)c2cc3ccccc3[nH]2)nc1=N ZINC000550111205 490626187 /nfs/dbraw/zinc/62/61/87/490626187.db2.gz DYZUREAASAOANU-CQSZACIVSA-N -1 3 367.413 0.802 10 0 FCAEHM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCCN(C)C3)C[C@@H]1C(=O)[O-] ZINC000564976714 491342674 /nfs/dbraw/zinc/34/26/74/491342674.db2.gz UTRDFTFFMGXKOG-GLJUWKHASA-N -1 3 351.447 0.500 10 0 FCAEHM O=C1[N-]C(=O)N2CCN(C[C@@H](O)COc3c(Cl)cccc3Cl)C[C@@H]12 ZINC000537609742 490685735 /nfs/dbraw/zinc/68/57/35/490685735.db2.gz ASOCZMQYKNPOSE-SKDRFNHKSA-N -1 3 374.224 0.969 10 0 FCAEHM C[C@@H]1OCC[C@H]1S(=O)(=O)NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000526943552 490686813 /nfs/dbraw/zinc/68/68/13/490686813.db2.gz RSTYVCFFHNJPTE-WNMQOVRZSA-N -1 3 367.427 0.338 10 0 FCAEHM CCN(C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)[C@H]1CCS(=O)(=O)C1 ZINC000537993277 490704661 /nfs/dbraw/zinc/70/46/61/490704661.db2.gz PREOZLMHPSMECI-JTQLQIEISA-N -1 3 351.384 0.611 10 0 FCAEHM CCOC(=O)[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1sc(C)nc1C ZINC000487341425 490706260 /nfs/dbraw/zinc/70/62/60/490706260.db2.gz DHCHKCNPXPDFIV-YUMQZZPRSA-N -1 3 363.461 0.495 10 0 FCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1sc(C)nc1C ZINC000487341423 490706766 /nfs/dbraw/zinc/70/67/66/490706766.db2.gz DHCHKCNPXPDFIV-JGVFFNPUSA-N -1 3 363.461 0.495 10 0 FCAEHM CCOC(=O)[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000487343308 490706835 /nfs/dbraw/zinc/70/68/35/490706835.db2.gz HQJBHZNLBUWCJM-QWRGUYRKSA-N -1 3 360.436 0.199 10 0 FCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cnc(CC)s1 ZINC000487374113 490709338 /nfs/dbraw/zinc/70/93/38/490709338.db2.gz ZRMUOAHKJIGPOR-RKDXNWHRSA-N -1 3 363.461 0.440 10 0 FCAEHM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1c(C)cccc1F ZINC000487385656 490710246 /nfs/dbraw/zinc/71/02/46/490710246.db2.gz CUYXVLHNWHCCSQ-MNOVXSKESA-N -1 3 360.407 0.869 10 0 FCAEHM Cn1cc(C[C@H](O)C(=O)Nc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)cn1 ZINC000527293930 490715136 /nfs/dbraw/zinc/71/51/36/490715136.db2.gz TVQAVCYTKQHPME-SUMWQHHRSA-N -1 3 357.370 0.017 10 0 FCAEHM CCN(CC(=O)OC)C(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000502708929 490717087 /nfs/dbraw/zinc/71/70/87/490717087.db2.gz ZEOAYNUYZMVRNF-UHFFFAOYSA-N -1 3 364.370 0.655 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)[C@H](C)[C@@H](C)O1 ZINC000527327358 490717670 /nfs/dbraw/zinc/71/76/70/490717670.db2.gz VCCKVYYJQOJWAA-OPRDCNLKSA-N -1 3 368.415 0.221 10 0 FCAEHM CC(=O)NCCN(Cc1ccc(C)s1)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000513319581 490722112 /nfs/dbraw/zinc/72/21/12/490722112.db2.gz WYHUNUWGAMXNEF-LBPRGKRZSA-N -1 3 352.416 0.119 10 0 FCAEHM CNC(=O)CCOC1CCN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)CC1 ZINC000487737785 490728663 /nfs/dbraw/zinc/72/86/63/490728663.db2.gz LHFOERFTDOUQHO-UHFFFAOYSA-N -1 3 374.397 0.719 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]CCCN2CCN(c3ncccn3)CC2)o1 ZINC000539107734 490762558 /nfs/dbraw/zinc/76/25/58/490762558.db2.gz UISYNAGQMSJSMN-UHFFFAOYSA-N -1 3 365.459 0.869 10 0 FCAEHM CCCc1ccc([C@@H](C)N(CC(N)=O)C(=O)C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000539113462 490763754 /nfs/dbraw/zinc/76/37/54/490763754.db2.gz VRKLHNBJRLQGOH-RISCZKNCSA-N -1 3 360.414 0.612 10 0 FCAEHM CCCN(C[C@@H]1CCCCO1)C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000503671629 490770229 /nfs/dbraw/zinc/77/02/29/490770229.db2.gz AMSUDQIUDGLRJN-ZDUSSCGKSA-N -1 3 358.464 0.506 10 0 FCAEHM CCCN(C[C@H]1CCCCO1)C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000503671628 490770307 /nfs/dbraw/zinc/77/03/07/490770307.db2.gz AMSUDQIUDGLRJN-CYBMUJFWSA-N -1 3 358.464 0.506 10 0 FCAEHM CCOc1ccccc1CN(C)C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000503685623 490770982 /nfs/dbraw/zinc/77/09/82/490770982.db2.gz UJMBZGKVMMZYMU-UHFFFAOYSA-N -1 3 366.443 0.756 10 0 FCAEHM COc1cccc(F)c1[C@H](C)NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000503687688 490771690 /nfs/dbraw/zinc/77/16/90/490771690.db2.gz MOEIELKQWMGFOQ-JTQLQIEISA-N -1 3 370.406 0.724 10 0 FCAEHM COC(=O)c1ccc(F)c([N-]C(=O)c2ccc(S(N)(=O)=O)cn2)c1 ZINC000539499332 490785798 /nfs/dbraw/zinc/78/57/98/490785798.db2.gz MMIXWACGBAGJPW-UHFFFAOYSA-N -1 3 353.331 0.907 10 0 FCAEHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]C[C@H](O)[C@@H]2CCCO2)s1 ZINC000528482709 490802263 /nfs/dbraw/zinc/80/22/63/490802263.db2.gz CXAQPTJGRBPXIU-STQMWFEESA-N -1 3 362.473 0.245 10 0 FCAEHM CN(C)S(=O)(=O)CC[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000515227945 490813944 /nfs/dbraw/zinc/81/39/44/490813944.db2.gz BSMYBQJHZKTZDA-UHFFFAOYSA-N -1 3 361.367 0.270 10 0 FCAEHM CCC(=O)c1ccc(OCC(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000515456344 490826865 /nfs/dbraw/zinc/82/68/65/490826865.db2.gz BJELKLDUCCYFML-GOSISDBHSA-N -1 3 359.382 0.859 10 0 FCAEHM Cc1cc(C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)c(C)n1-c1cnccn1 ZINC000528782098 490827731 /nfs/dbraw/zinc/82/77/31/490827731.db2.gz ITMYAAFKSQTWRT-CYBMUJFWSA-N -1 3 354.370 0.260 10 0 FCAEHM COCCN(C(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)[C@H]1CCOC1 ZINC000515580774 490832699 /nfs/dbraw/zinc/83/26/99/490832699.db2.gz VUWGUCFRKZBIQG-KBXCAEBGSA-N -1 3 361.398 0.619 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)c3cn(C[C@H]4CCOC4)nn3)cc2n(C)c1=O ZINC000529408332 490859878 /nfs/dbraw/zinc/85/98/78/490859878.db2.gz HZHNNYJMWXXROU-SNVBAGLBSA-N -1 3 372.385 0.463 10 0 FCAEHM O=C(N[C@H]1CNC(=O)C1)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000541706800 490869861 /nfs/dbraw/zinc/86/98/61/490869861.db2.gz RWNVYWSSYXVMIG-SECBINFHSA-N -1 3 369.424 0.438 10 0 FCAEHM COc1cccc(C(=O)NC[C@]2(CO)COCC3(CCC3)N2C)c1[O-] ZINC000529750966 490872566 /nfs/dbraw/zinc/87/25/66/490872566.db2.gz GQYXKHDSIDPDRU-SFHVURJKSA-N -1 3 350.415 0.746 10 0 FCAEHM C[C@@]1(O)C[C@H]([N-]S(=O)(=O)c2ccccc2S(=O)(=O)N2CCCC2)C1 ZINC000516747677 490876483 /nfs/dbraw/zinc/87/64/83/490876483.db2.gz BLIGPEFLETTYOR-JNSHFYNHSA-N -1 3 374.484 0.663 10 0 FCAEHM Cn1nccc1[C@H](CO)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)CCO2 ZINC000572257630 491359067 /nfs/dbraw/zinc/35/90/67/491359067.db2.gz XGJXQDZFWKMWLC-LBPRGKRZSA-N -1 3 351.384 0.397 10 0 FCAEHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000530194894 490892685 /nfs/dbraw/zinc/89/26/85/490892685.db2.gz NLHCTQYAIBIEIG-MNOVXSKESA-N -1 3 363.395 0.754 10 0 FCAEHM Cc1ccc(-n2cccn2)cc1NC(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000530503600 490909450 /nfs/dbraw/zinc/90/94/50/490909450.db2.gz FDYKHFAAWCZFSP-AWEZNQCLSA-N -1 3 354.370 0.949 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@]2(C(=O)OC)CCOC2)c(F)c1 ZINC000530535686 490911398 /nfs/dbraw/zinc/91/13/98/490911398.db2.gz OIFXAKLAQOICLS-CQSZACIVSA-N -1 3 361.347 0.223 10 0 FCAEHM O=c1[n-]c(=O)n(Cc2ncnn2CCF)cc1I ZINC000565242913 491364556 /nfs/dbraw/zinc/36/45/56/491364556.db2.gz UJTOHCZGBJGXKY-UHFFFAOYSA-N -1 3 365.106 0.163 10 0 FCAEHM C[C@H](CN1CCOCC1)C(=O)NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000543110075 490922828 /nfs/dbraw/zinc/92/28/28/490922828.db2.gz KAMXWOKGJCCNOK-YJYMSZOUSA-N -1 3 374.441 0.326 10 0 FCAEHM C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000518183824 490932337 /nfs/dbraw/zinc/93/23/37/490932337.db2.gz NDHSVKGOCGIEJE-DZUCGIPZSA-N -1 3 373.453 0.899 10 0 FCAEHM C/C=C/c1ccc(OCC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)c(OC)c1 ZINC000531143901 490943083 /nfs/dbraw/zinc/94/30/83/490943083.db2.gz CJTDZMZHOGXWQI-OOPCZODUSA-N -1 3 359.382 0.870 10 0 FCAEHM CCc1nncn1CCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000531304881 490951687 /nfs/dbraw/zinc/95/16/87/490951687.db2.gz HXPJJUPQLXEEOR-AWEZNQCLSA-N -1 3 357.414 0.967 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCCCN1C(=O)CCC1=O ZINC000519279694 490967804 /nfs/dbraw/zinc/96/78/04/490967804.db2.gz DCRMYQJZRCFMEW-UHFFFAOYSA-N -1 3 371.397 0.820 10 0 FCAEHM C[C@@H](C[N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C)CN1CCN(C)CC1 ZINC000519528461 490974228 /nfs/dbraw/zinc/97/42/28/490974228.db2.gz PAAGNLZFSFUZSD-GJZGRUSLSA-N -1 3 369.535 0.942 10 0 FCAEHM CCOC(=O)[C@@H](CO)[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000612631988 491941597 /nfs/dbraw/zinc/94/15/97/491941597.db2.gz YEFKVXJFEFVHQB-SNVBAGLBSA-N -1 3 365.791 0.329 10 0 FCAEHM Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000562417739 491164689 /nfs/dbraw/zinc/16/46/89/491164689.db2.gz UUMCHMJHJORNTG-HNNXBMFYSA-N -1 3 369.447 0.444 10 0 FCAEHM CCOC(=O)c1[nH]c(C)c(C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1C ZINC000562499955 491170269 /nfs/dbraw/zinc/17/02/69/491170269.db2.gz NTQIPRPFSKFSOI-KRWDZBQOSA-N -1 3 362.386 0.622 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCCN2CCO)c(F)c1 ZINC000562553176 491173290 /nfs/dbraw/zinc/17/32/90/491173290.db2.gz SQMZUCBJZXBENP-ZDUSSCGKSA-N -1 3 374.434 0.737 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)c2ccc(-n3cnnn3)cc2Cl)nc1=N ZINC000572489162 491373417 /nfs/dbraw/zinc/37/34/17/491373417.db2.gz GTYVQWNJVMWYQJ-GFCCVEGCSA-N -1 3 373.808 0.834 10 0 FCAEHM COC[C@@](C)(O)CC[N-]S(=O)(=O)c1ccc(CCNC(C)=O)s1 ZINC000572542742 491377625 /nfs/dbraw/zinc/37/76/25/491377625.db2.gz LMTSXYOVJZPKDY-AWEZNQCLSA-N -1 3 364.489 0.493 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(C(=O)[C@@H](O)C3CCOCC3)CC2)n[n-]1 ZINC000565519677 491381940 /nfs/dbraw/zinc/38/19/40/491381940.db2.gz YIQAFDHAZXEQGE-ZDUSSCGKSA-N -1 3 366.418 0.475 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(C(=O)[C@@H](O)C3CCOCC3)CC2)[n-]1 ZINC000565519677 491381941 /nfs/dbraw/zinc/38/19/41/491381941.db2.gz YIQAFDHAZXEQGE-ZDUSSCGKSA-N -1 3 366.418 0.475 10 0 FCAEHM Cc1nc(C)c(CC(=O)NC[C@H]2CCCCN2S(C)(=O)=O)c(=O)[n-]1 ZINC000557685077 491390996 /nfs/dbraw/zinc/39/09/96/491390996.db2.gz QNJSAVVTFCKZFO-GFCCVEGCSA-N -1 3 356.448 0.272 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](Nc3ncccn3)C2)c(C)o1 ZINC000572765778 491392478 /nfs/dbraw/zinc/39/24/78/491392478.db2.gz DLRYIWGDZLLVKK-NSHDSACASA-N -1 3 365.415 0.613 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](Nc3ncccn3)C2)c(C)o1 ZINC000572765777 491392619 /nfs/dbraw/zinc/39/26/19/491392619.db2.gz DLRYIWGDZLLVKK-LLVKDONJSA-N -1 3 365.415 0.613 10 0 FCAEHM COc1ccc(OC)c(NC(=O)C(=O)N2CCC[C@H]2c2nc(=N)n(C)[n-]2)c1 ZINC000565719737 491395500 /nfs/dbraw/zinc/39/55/00/491395500.db2.gz MJTDZYXRBLPOQA-LBPRGKRZSA-N -1 3 374.401 0.547 10 0 FCAEHM CCO[C@@H]1C[C@H](NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)[C@H]1n1cccn1 ZINC000565855154 491403721 /nfs/dbraw/zinc/40/37/21/491403721.db2.gz PYTKUYMBCPBPDG-RRFJBIMHSA-N -1 3 354.366 0.915 10 0 FCAEHM CC(C)OCc1nc([C@H](C)[N-]S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)no1 ZINC000565860626 491403862 /nfs/dbraw/zinc/40/38/62/491403862.db2.gz FITXTNLOBXVBSG-SRVKXCTJSA-N -1 3 362.452 0.999 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000558434445 491430637 /nfs/dbraw/zinc/43/06/37/491430637.db2.gz OUAHEZCNUKXFQH-UHFFFAOYSA-N -1 3 367.383 0.926 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)Cn2c(=O)cnc3ccccc32)nc1=N ZINC000559256300 491458620 /nfs/dbraw/zinc/45/86/20/491458620.db2.gz CSBOXTBWMQCNLW-ZDUSSCGKSA-N -1 3 353.386 0.301 10 0 FCAEHM O=C(CN1CCC[C@]2(C1)NC(=O)[N-]C2=O)NCCc1c(F)cccc1F ZINC000573903483 491461345 /nfs/dbraw/zinc/46/13/45/491461345.db2.gz HACBXPXZRABSAK-QGZVFWFLSA-N -1 3 366.368 0.298 10 0 FCAEHM CNC(=O)CNC(=O)c1cccc([N-]S(=O)(=O)C[C@H](OC)C2CC2)c1 ZINC000574204298 491480974 /nfs/dbraw/zinc/48/09/74/491480974.db2.gz ASNRNDVHMCAQKM-AWEZNQCLSA-N -1 3 369.443 0.329 10 0 FCAEHM COC(=O)[C@@H](NC(=O)CN1CC(=O)[N-]C1=O)c1ccc2ccccc2c1 ZINC000574233931 491483251 /nfs/dbraw/zinc/48/32/51/491483251.db2.gz RQXVLDVLWNQOAZ-INIZCTEOSA-N -1 3 355.350 0.722 10 0 FCAEHM Cn1ccc(NC(=O)C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)n1 ZINC000574480265 491499907 /nfs/dbraw/zinc/49/99/07/491499907.db2.gz PEROPSQSBFCDTM-UHFFFAOYSA-N -1 3 363.321 0.751 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)c2cccc(N3CCN(C)CC3)n2)nc1=N ZINC000567478077 491508418 /nfs/dbraw/zinc/50/84/18/491508418.db2.gz BZAYIIWIWGDKIE-CQSZACIVSA-N -1 3 370.461 0.352 10 0 FCAEHM CC(=O)Nc1ccc(S(=O)(=O)[N-]CC(=O)Nc2ccn(C)n2)c(F)c1 ZINC000673574279 493347557 /nfs/dbraw/zinc/34/75/57/493347557.db2.gz DKTBQXKKLYEYOF-UHFFFAOYSA-N -1 3 369.378 0.435 10 0 FCAEHM COC(=O)[C@H](CO)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000560064632 491518594 /nfs/dbraw/zinc/51/85/94/491518594.db2.gz QWEQLXZNBAUCNZ-ZETCQYMHSA-N -1 3 372.624 0.915 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)CN2c3ccccc3CCC2=O)nc1=N ZINC000568047673 491550463 /nfs/dbraw/zinc/55/04/63/491550463.db2.gz SAPBXYRAPOIWKT-CQSZACIVSA-N -1 3 354.414 0.871 10 0 FCAEHM CC[C@@H](C)C[C@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1)C(=O)OC ZINC000575805275 491562007 /nfs/dbraw/zinc/56/20/07/491562007.db2.gz ATWULTUVALYDAP-PWSUYJOCSA-N -1 3 374.463 0.101 10 0 FCAEHM CN1CCc2ccc(S(=O)(=O)N3CCC[C@]4(C3)NC(=O)[N-]C4=O)cc21 ZINC000575976775 491573510 /nfs/dbraw/zinc/57/35/10/491573510.db2.gz ZEQUWRPFJVBLOK-MRXNPFEDSA-N -1 3 364.427 0.042 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000561189709 491581533 /nfs/dbraw/zinc/58/15/33/491581533.db2.gz AXWRSLGPPNOHKX-TXEJJXNPSA-N -1 3 358.489 0.562 10 0 FCAEHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C(C)(C)c2cn(C)nn2)c1 ZINC000568511311 491581878 /nfs/dbraw/zinc/58/18/78/491581878.db2.gz UIJVVQYCKAGGKN-UHFFFAOYSA-N -1 3 356.379 0.954 10 0 FCAEHM O=C(CCN1CCN(c2ccccn2)CC1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000561199725 491582848 /nfs/dbraw/zinc/58/28/48/491582848.db2.gz RGGFPIOVISBPAF-OAHLLOKOSA-N -1 3 370.461 0.513 10 0 FCAEHM O=C(CCN1CCN(c2ccccn2)CC1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000561199725 491582851 /nfs/dbraw/zinc/58/28/51/491582851.db2.gz RGGFPIOVISBPAF-OAHLLOKOSA-N -1 3 370.461 0.513 10 0 FCAEHM C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000568629437 491594815 /nfs/dbraw/zinc/59/48/15/491594815.db2.gz FVRNPIREAWGHJE-XKQJLSEDSA-N -1 3 373.453 0.912 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)[C@@H]3CCc4nnnn4CC3)cc2n(C)c1=O ZINC000584474204 491595280 /nfs/dbraw/zinc/59/52/80/491595280.db2.gz HVSNARDNQGPMIF-SECBINFHSA-N -1 3 357.374 0.160 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(C[C@@H]2NC(=O)NC2=O)cc1)C1CC1 ZINC000576280168 491600903 /nfs/dbraw/zinc/60/09/03/491600903.db2.gz VQTOMECPOLZIOY-KBPBESRZSA-N -1 3 367.427 0.604 10 0 FCAEHM CN(CCC(N)=O)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000561392493 491604439 /nfs/dbraw/zinc/60/44/39/491604439.db2.gz CDUIURILXHDRJT-UHFFFAOYSA-N -1 3 368.390 0.902 10 0 FCAEHM COCc1ccccc1CS(=O)(=O)N1CCC2(CC1)NC(=O)[N-]C2=O ZINC000561479005 491611797 /nfs/dbraw/zinc/61/17/97/491611797.db2.gz CGEQGLDDRFZZJG-UHFFFAOYSA-N -1 3 367.427 0.337 10 0 FCAEHM O=S(=O)([N-][C@H]1CCN(S(=O)(=O)c2ccccc2)C1)c1ccccn1 ZINC000561563436 491617489 /nfs/dbraw/zinc/61/74/89/491617489.db2.gz JKFHOTRHCYGLMG-ZDUSSCGKSA-N -1 3 367.452 0.823 10 0 FCAEHM CS(=O)(=O)N[C@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1cscn1 ZINC000576515006 491621178 /nfs/dbraw/zinc/62/11/78/491621178.db2.gz WIMFPYYMYAKKPM-UWVGGRQHSA-N -1 3 353.491 0.529 10 0 FCAEHM CCc1nnc(Cn2cc(I)c(=O)[n-]c2=O)n1C ZINC000576649351 491632847 /nfs/dbraw/zinc/63/28/47/491632847.db2.gz MAOAHQZMQGEHKF-UHFFFAOYSA-N -1 3 361.143 0.293 10 0 FCAEHM C[C@H]1CCCc2nc(S(=O)(=O)[N-]CC3(OCCO)CCOCC3)cn21 ZINC000569139826 491637405 /nfs/dbraw/zinc/63/74/05/491637405.db2.gz WUVOSWLMZJRWCG-ZDUSSCGKSA-N -1 3 373.475 0.617 10 0 FCAEHM COCCN(C(=O)C[N-]S(=O)(=O)c1ccccc1F)[C@@H]1CCOC1 ZINC000576870702 491652284 /nfs/dbraw/zinc/65/22/84/491652284.db2.gz FRTVIEGWZIAXRP-GFCCVEGCSA-N -1 3 360.407 0.368 10 0 FCAEHM C[C@@H]1CCN[C@H](C(=O)N[C@@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)C1 ZINC000577855196 491657303 /nfs/dbraw/zinc/65/73/03/491657303.db2.gz IVWOPRQQRKOSNO-OJLVUWQFSA-N -1 3 359.426 0.918 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2c(C(=O)NC[C@H](O)C(F)F)cc(C3CC3)nc21 ZINC000562306445 491665096 /nfs/dbraw/zinc/66/50/96/491665096.db2.gz OLGPYMQIYYNEFO-VIFPVBQESA-N -1 3 354.313 0.267 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)C3(N4CCOCC4)CCC3)cc2n(C)c1=O ZINC000578827015 491685249 /nfs/dbraw/zinc/68/52/49/491685249.db2.gz HIEFSGQGMYQIMF-UHFFFAOYSA-N -1 3 360.414 0.776 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N[C@@H]2CC23CC3)s1 ZINC000579103100 491690925 /nfs/dbraw/zinc/69/09/25/491690925.db2.gz ZGGBQLNCXJUSLT-LLVKDONJSA-N -1 3 357.457 0.331 10 0 FCAEHM O=S(=O)(C[C@@H]1CCCC1(F)F)[N-]CC1(OCCO)CCOCC1 ZINC000579375550 491696818 /nfs/dbraw/zinc/69/68/18/491696818.db2.gz LRPXXJLJEWGSAF-LBPRGKRZSA-N -1 3 357.419 0.899 10 0 FCAEHM COCC[C@@H](COC)[N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC ZINC000579532254 491699916 /nfs/dbraw/zinc/69/99/16/491699916.db2.gz UCFXVCCRQGTPKT-VIFPVBQESA-N -1 3 367.445 0.873 10 0 FCAEHM CC1(C)[C@@H](O)CCN1S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1CC1 ZINC000579779305 491705225 /nfs/dbraw/zinc/70/52/25/491705225.db2.gz ZUWOWLNUTJGZQR-AWEZNQCLSA-N -1 3 374.484 0.661 10 0 FCAEHM CC(C)(C[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)OCCO ZINC000580002127 491713171 /nfs/dbraw/zinc/71/31/71/491713171.db2.gz JYXPETHJHKBSCM-UHFFFAOYSA-N -1 3 351.446 0.156 10 0 FCAEHM COc1ccc2c(c1)[n-]cc(C(=O)N1CCn3nnc(CO)c3C1)c2=O ZINC000580449059 491731817 /nfs/dbraw/zinc/73/18/17/491731817.db2.gz DWCVQHHYSIOGSN-UHFFFAOYSA-N -1 3 355.354 0.277 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)NC[C@@H]2CC23CCSCC3)cn1C ZINC000580827519 491747428 /nfs/dbraw/zinc/74/74/28/491747428.db2.gz WOQZDWTUQJULQV-LBPRGKRZSA-N -1 3 372.516 0.656 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)CNC(=O)c2ccc3c(c2)OCO3)nc1=N ZINC000581634228 491781015 /nfs/dbraw/zinc/78/10/15/491781015.db2.gz FINGYZOLPCBNNW-NSHDSACASA-N -1 3 372.385 0.050 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]Cc2ccc(N(C)S(C)(=O)=O)cc2)c1 ZINC000673821840 493364370 /nfs/dbraw/zinc/36/43/70/493364370.db2.gz BFDSIZLJLYNXFB-UHFFFAOYSA-N -1 3 372.472 0.777 10 0 FCAEHM CCOC(=O)COCCn1cc(I)c(=O)[n-]c1=O ZINC000582555999 491817694 /nfs/dbraw/zinc/81/76/94/491817694.db2.gz AWXNXWNYNWRLSR-UHFFFAOYSA-N -1 3 368.127 0.133 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CCSCCCO)coc1C(=O)N(C)C ZINC000592031161 491828155 /nfs/dbraw/zinc/82/81/55/491828155.db2.gz UJKYSURVFMCZPB-UHFFFAOYSA-N -1 3 350.462 0.684 10 0 FCAEHM CSC[C@H](CCO)[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000592033650 491828301 /nfs/dbraw/zinc/82/83/01/491828301.db2.gz GSSZMSJJGUQYQF-JTQLQIEISA-N -1 3 350.462 0.682 10 0 FCAEHM COC(=O)[C@H](CC(F)F)[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000592041854 491828953 /nfs/dbraw/zinc/82/89/53/491828953.db2.gz OWEILDKQYGUCID-QMMMGPOBSA-N -1 3 368.358 0.765 10 0 FCAEHM CS[C@H](CO)[C@H](C)[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000592041319 491828959 /nfs/dbraw/zinc/82/89/59/491828959.db2.gz GFBCOBWQTDCVAK-VHSXEESVSA-N -1 3 350.462 0.681 10 0 FCAEHM COCC[C@H]([N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C)C(=O)OC ZINC000592052617 491829816 /nfs/dbraw/zinc/82/98/16/491829816.db2.gz SBNVFLOBIGQFAU-JTQLQIEISA-N -1 3 362.404 0.146 10 0 FCAEHM CC[C@@H](C[N-]S(=O)(=O)c1ccc(CCNC(C)=O)s1)C(=O)OC ZINC000592078991 491830784 /nfs/dbraw/zinc/83/07/84/491830784.db2.gz XJZRODNROKOKDE-NSHDSACASA-N -1 3 362.473 0.904 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)nc1=N ZINC000584117987 491859000 /nfs/dbraw/zinc/85/90/00/491859000.db2.gz BYLSFHULDUVAHH-FRRDWIJNSA-N -1 3 374.445 0.456 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@H]1CC(=O)N(C2CC2)C1 ZINC000584318821 491862970 /nfs/dbraw/zinc/86/29/70/491862970.db2.gz CEZGOLHCDQJCNG-JTQLQIEISA-N -1 3 356.400 0.725 10 0 FCAEHM COC(=O)CCNC(=O)CCNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000600494948 491863938 /nfs/dbraw/zinc/86/39/38/491863938.db2.gz SKVWTTSIRZJHGV-UHFFFAOYSA-N -1 3 364.398 0.905 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CC[C@@H](C)S(=O)(=O)C2)c(C)o1 ZINC000594849648 491866554 /nfs/dbraw/zinc/86/65/54/491866554.db2.gz RBDHPWFEOVBDDC-PSASIEDQSA-N -1 3 365.429 0.619 10 0 FCAEHM COC(=O)CCN1CCC[C@@H](Sc2nc3c(cnn3C)c(=O)[n-]2)C1=O ZINC000600582869 491869177 /nfs/dbraw/zinc/86/91/77/491869177.db2.gz BNYKJADXHZYGAC-SNVBAGLBSA-N -1 3 365.415 0.715 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NCc1cccc(C(=O)NCc2ccco2)c1 ZINC000600960286 491890393 /nfs/dbraw/zinc/89/03/93/491890393.db2.gz UJIGKKKPECQMOS-UHFFFAOYSA-N -1 3 370.365 0.378 10 0 FCAEHM CCOc1cc2c(cc1[C@@H]1C[C@H]1NC(=O)CN1CC(=O)[N-]C1=O)O[C@H](C)C2 ZINC000601004720 491892777 /nfs/dbraw/zinc/89/27/77/491892777.db2.gz NEPCADNRLSDWRO-SCDSUCTJSA-N -1 3 373.409 0.933 10 0 FCAEHM CC(C)(C)OC(=O)c1ccccc1CC(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000601278024 491901414 /nfs/dbraw/zinc/90/14/14/491901414.db2.gz NNDBRXUOEWPKLJ-CQSZACIVSA-N -1 3 373.409 0.947 10 0 FCAEHM CCOC(=O)[C@@]1([N-]S(=O)(=O)C[C@@H]2CNCCO2)CCc2ccccc21 ZINC000601339767 491905459 /nfs/dbraw/zinc/90/54/59/491905459.db2.gz GWGICDUFJDICAJ-WMLDXEAASA-N -1 3 368.455 0.299 10 0 FCAEHM COC(=O)[C@@H](Cc1ccncc1)[N-]S(=O)(=O)CCC[C@@H]1CCOC1 ZINC000601420766 491916922 /nfs/dbraw/zinc/91/69/22/491916922.db2.gz WQAIIYLCPLXTPC-HUUCEWRRSA-N -1 3 356.444 0.902 10 0 FCAEHM CCc1nc(S(=O)(=O)[N-][C@@]2(C(=O)OC)CCOC2)cn1CC1CC1 ZINC000595318014 491917577 /nfs/dbraw/zinc/91/75/77/491917577.db2.gz JRHRQVQCUGGXTL-HNNXBMFYSA-N -1 3 357.432 0.466 10 0 FCAEHM CC[C@@](COC)([N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C)C(=O)OC ZINC000601435214 491919232 /nfs/dbraw/zinc/91/92/32/491919232.db2.gz ORXOMLCWTMKDEC-NSHDSACASA-N -1 3 373.353 0.685 10 0 FCAEHM CCS(=O)(=O)C1(C[N-]S(=O)(=O)[C@H]2CCCC[C@@H]2C(=O)OC)CC1 ZINC000595363589 491924179 /nfs/dbraw/zinc/92/41/79/491924179.db2.gz HFBYQBANQJJNJW-RYUDHWBXSA-N -1 3 367.489 0.605 10 0 FCAEHM CCS(=O)(=O)C1(C[N-]S(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)OC)CC1 ZINC000595363590 491924200 /nfs/dbraw/zinc/92/42/00/491924200.db2.gz HFBYQBANQJJNJW-VXGBXAGGSA-N -1 3 367.489 0.605 10 0 FCAEHM COC(=O)CC[C@@H](C(=O)OC)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000595378408 491925923 /nfs/dbraw/zinc/92/59/23/491925923.db2.gz SXPOKYXROMVZCG-HNNXBMFYSA-N -1 3 364.398 0.645 10 0 FCAEHM CN1NN=C2C1=NCC[C@H]2C(=O)NCc1ccc([O-])c(Br)c1 ZINC000612643082 491941914 /nfs/dbraw/zinc/94/19/14/491941914.db2.gz LUXIECBFVMTLPV-SECBINFHSA-N -1 3 366.219 0.995 10 0 FCAEHM CN1NN=C2C1=NCC[C@@H]2C(=O)NCc1ccc([O-])c(Br)c1 ZINC000612643087 491942000 /nfs/dbraw/zinc/94/20/00/491942000.db2.gz LUXIECBFVMTLPV-VIFPVBQESA-N -1 3 366.219 0.995 10 0 FCAEHM COC(=O)[C@@H]1OCC[C@@H]1NCc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000595664653 491947634 /nfs/dbraw/zinc/94/76/34/491947634.db2.gz SPUUMSPAJDPHMF-DZGCQCFKSA-N -1 3 369.381 0.941 10 0 FCAEHM CSCC[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC1COC1 ZINC000601847491 491951264 /nfs/dbraw/zinc/95/12/64/491951264.db2.gz QKBYJTKKDUZGSW-LBPRGKRZSA-N -1 3 362.448 0.741 10 0 FCAEHM CN(C)C1(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2[O-])CC1 ZINC000613021490 491962981 /nfs/dbraw/zinc/96/29/81/491962981.db2.gz QHYDRJRMYVWJOY-UHFFFAOYSA-N -1 3 369.443 0.446 10 0 FCAEHM CN(C(=O)CC[C@H]1NC(=O)[N-]C1=O)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000602213874 491968547 /nfs/dbraw/zinc/96/85/47/491968547.db2.gz XCVQIDXPLJSFFL-DGCLKSJQSA-N -1 3 362.361 0.378 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC3(C2)CCOCC3)cn1C ZINC000613346964 491978520 /nfs/dbraw/zinc/97/85/20/491978520.db2.gz LPQGYRWLOVUNHT-UHFFFAOYSA-N -1 3 356.448 0.036 10 0 FCAEHM CC(C)(C)OC(=O)C1(CNC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)CCC1 ZINC000596944156 492006109 /nfs/dbraw/zinc/00/61/09/492006109.db2.gz QJKDERGYLJGTHJ-LLVKDONJSA-N -1 3 366.418 0.444 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CC(n2ccnc2)C1 ZINC000603916443 492047431 /nfs/dbraw/zinc/04/74/31/492047431.db2.gz GOZGUYDQNRZXRD-NSHDSACASA-N -1 3 352.391 0.773 10 0 FCAEHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)COCc1nccn1C ZINC000614823261 492057817 /nfs/dbraw/zinc/05/78/17/492057817.db2.gz DROVXPFJRMDCDP-NEPJUHHUSA-N -1 3 361.402 0.817 10 0 FCAEHM C[C@H](NC(=O)[C@@H](O)C1CCOCC1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614823328 492057936 /nfs/dbraw/zinc/05/79/36/492057936.db2.gz PXEXXMNEBFYHCP-MJVIPROJSA-N -1 3 351.403 0.654 10 0 FCAEHM COC(=O)[C@@](C)(NC(=O)CC[C@H]1NC(=O)[N-]C1=O)c1ccc(F)cc1 ZINC000597688146 492059767 /nfs/dbraw/zinc/05/97/67/492059767.db2.gz TZNRGJMPPGPNIV-BZNIZROVSA-N -1 3 351.334 0.318 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CCOC[C@@H]1CCCO1 ZINC000604407696 492060677 /nfs/dbraw/zinc/06/06/77/492060677.db2.gz WURDFUQITMHWSM-LBPRGKRZSA-N -1 3 363.457 0.564 10 0 FCAEHM C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000614923227 492064572 /nfs/dbraw/zinc/06/45/72/492064572.db2.gz OHQLFQFSHAKNLR-JTQLQIEISA-N -1 3 370.406 0.265 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CC(CN2CCOCC2)C1 ZINC000615146080 492076118 /nfs/dbraw/zinc/07/61/18/492076118.db2.gz PBPIWLGCUSRQNB-UHFFFAOYSA-N -1 3 371.441 0.956 10 0 FCAEHM COC(=O)C12CC(C1)CN2C(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000598064776 492082349 /nfs/dbraw/zinc/08/23/49/492082349.db2.gz QWNHWCXTRQCSFY-NAUIOFCNSA-N -1 3 358.441 0.579 10 0 FCAEHM COC(=O)C12CC(C1)CN2C(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000598064775 492082417 /nfs/dbraw/zinc/08/24/17/492082417.db2.gz QWNHWCXTRQCSFY-IPWFMCSPSA-N -1 3 358.441 0.579 10 0 FCAEHM COC(=O)[C@@](C)(CCF)NC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000598278741 492092207 /nfs/dbraw/zinc/09/22/07/492092207.db2.gz ZEOMZOBGLKSRTN-GFCCVEGCSA-N -1 3 352.409 0.434 10 0 FCAEHM COC(=O)[C@H]1C[C@@H](N(C)C(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000598431821 492098181 /nfs/dbraw/zinc/09/81/81/492098181.db2.gz YJYKMCKNTGIGST-TXEJJXNPSA-N -1 3 371.393 0.668 10 0 FCAEHM CN(C1CC1)S(=O)(=O)NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000605586949 492099848 /nfs/dbraw/zinc/09/98/48/492099848.db2.gz JOTQERRISWVKKN-HNNXBMFYSA-N -1 3 352.416 0.170 10 0 FCAEHM O=C(c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1)N1CCC12COC2 ZINC000615932441 492108512 /nfs/dbraw/zinc/10/85/12/492108512.db2.gz OMBSNHRFLXSWJG-UHFFFAOYSA-N -1 3 359.407 0.919 10 0 FCAEHM COC(=O)[C@@H]1CCN(Cc2cc(=O)n3nc(N)[n-]c3n2)[C@H]2CCCC[C@@H]12 ZINC000598627431 492110134 /nfs/dbraw/zinc/11/01/34/492110134.db2.gz SKTDXWMPJWJCDI-XQQFMLRXSA-N -1 3 360.418 0.384 10 0 FCAEHM CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616022118 492114843 /nfs/dbraw/zinc/11/48/43/492114843.db2.gz CQQHEVBGOCAEDW-AWEZNQCLSA-N -1 3 372.425 0.963 10 0 FCAEHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@H]2CCC(=O)N(C)C2)s1 ZINC000606463799 492123529 /nfs/dbraw/zinc/12/35/29/492123529.db2.gz UPWAEPVQOLGBGV-ONGXEEELSA-N -1 3 359.473 0.844 10 0 FCAEHM O=C(CNC(=O)c1ccccn1)NCCCNC(=O)c1cccc([O-])c1 ZINC000606931616 492133684 /nfs/dbraw/zinc/13/36/84/492133684.db2.gz XDEWDACOBZXGQT-UHFFFAOYSA-N -1 3 356.382 0.453 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H](C)[C@@H](CO)SC)on1 ZINC000599266717 492151558 /nfs/dbraw/zinc/15/15/58/492151558.db2.gz PSFJTYWTIYBEDU-GZMMTYOYSA-N -1 3 352.434 0.383 10 0 FCAEHM COc1ccc2c(c1)[n-]cc(C(=O)NCC(C)(C)NS(C)(=O)=O)c2=O ZINC000599109494 492136555 /nfs/dbraw/zinc/13/65/55/492136555.db2.gz GZGDBCKRTWTAFQ-UHFFFAOYSA-N -1 3 367.427 0.594 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@H](C)C(=O)NC(C)(C)C)on1 ZINC000599223637 492144907 /nfs/dbraw/zinc/14/49/07/492144907.db2.gz PQKZBLJXORVWOB-SECBINFHSA-N -1 3 361.420 0.574 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@H]2CC(=O)N(C3CC3)C2)on1 ZINC000599250708 492148969 /nfs/dbraw/zinc/14/89/69/492148969.db2.gz RFNCCTKMVJGBLN-VIFPVBQESA-N -1 3 357.388 0.034 10 0 FCAEHM COC(=O)[C@]1([N-]S(=O)(=O)c2cccnc2OCC(F)F)CCOC1 ZINC000599256629 492149677 /nfs/dbraw/zinc/14/96/77/492149677.db2.gz AZSDSKICKIRTCG-ZDUSSCGKSA-N -1 3 366.342 0.336 10 0 FCAEHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@H]3CCNC3=O)cs2)c1 ZINC000616960294 492149786 /nfs/dbraw/zinc/14/97/86/492149786.db2.gz BIVIPGDHQKSHGX-LBPRGKRZSA-N -1 3 374.422 0.957 10 0 FCAEHM O=C(Cc1csc(NC(=O)c2cccc([O-])c2)n1)N[C@H]1CCNC1=O ZINC000616961156 492149871 /nfs/dbraw/zinc/14/98/71/492149871.db2.gz SXWRJYQKXFMFCT-LBPRGKRZSA-N -1 3 360.395 0.648 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@H]2C[C@@H](C)N(C3CC3)C2)on1 ZINC000599258497 492150491 /nfs/dbraw/zinc/15/04/91/492150491.db2.gz HDLCBJUAJNOBSA-MNOVXSKESA-N -1 3 357.432 0.896 10 0 FCAEHM COC1CC(CCNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC000617024911 492152698 /nfs/dbraw/zinc/15/26/98/492152698.db2.gz OLTZZDBMROGPBE-UHFFFAOYSA-N -1 3 360.208 0.643 10 0 FCAEHM CO[C@H](CNC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)[C@@H]1CCOC1 ZINC000617138332 492156418 /nfs/dbraw/zinc/15/64/18/492156418.db2.gz POOORUGVBQJPPY-RVZJWNSFSA-N -1 3 361.398 0.523 10 0 FCAEHM CO[C@H](CNC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)[C@H]1CCOC1 ZINC000617138333 492156445 /nfs/dbraw/zinc/15/64/45/492156445.db2.gz POOORUGVBQJPPY-WPKBUWHJSA-N -1 3 361.398 0.523 10 0 FCAEHM CO[C@H](CNC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)[C@H]1CCOC1 ZINC000617142663 492156478 /nfs/dbraw/zinc/15/64/78/492156478.db2.gz HWLNLMFIPVMJIU-SMDDNHRTSA-N -1 3 360.407 0.979 10 0 FCAEHM CO[C@@H](CNC(=O)CC[N-]S(=O)(=O)c1ccccc1F)[C@@H]1CCOC1 ZINC000617152019 492157578 /nfs/dbraw/zinc/15/75/78/492157578.db2.gz CRBPPMIAJQSUMR-OCCSQVGLSA-N -1 3 374.434 0.662 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]CCN2C[C@H]3CC[C@@H](C2)O3)on1 ZINC000599323033 492160393 /nfs/dbraw/zinc/16/03/93/492160393.db2.gz YKCQGKSYFXGKCB-TXEJJXNPSA-N -1 3 373.431 0.134 10 0 FCAEHM C[C@@]1(c2ccc(C(=O)N3CC[C@@H](Cn4ccnn4)C3)cc2)NC(=O)[N-]C1=O ZINC000617260542 492161509 /nfs/dbraw/zinc/16/15/09/492161509.db2.gz WXZKVUKMDUGNFU-XIKOKIGWSA-N -1 3 368.397 0.495 10 0 FCAEHM CC(C)(C)OC(=O)C1CCC(O)(CN2CCN3C(=O)[N-]C(=O)[C@H]3C2)CC1 ZINC000599338941 492162728 /nfs/dbraw/zinc/16/27/28/492162728.db2.gz XTJQWOGYBAXPSD-YNAXMUEKSA-N -1 3 367.446 0.485 10 0 FCAEHM CCn1cnnc1CC[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000608025747 492163590 /nfs/dbraw/zinc/16/35/90/492163590.db2.gz UQUPNYNHVLLURT-UHFFFAOYSA-N -1 3 358.445 0.223 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N[C@@H](CO)C1CCC1 ZINC000617304256 492163833 /nfs/dbraw/zinc/16/38/33/492163833.db2.gz YUTKAZBNDMSMKA-VIFPVBQESA-N -1 3 352.865 0.957 10 0 FCAEHM COCC1(S(=O)(=O)[N-][C@H](Cc2cccc(OC)c2)C(=O)OC)CC1 ZINC000599403115 492168598 /nfs/dbraw/zinc/16/85/98/492168598.db2.gz MQGOGVPNSMAUQS-CQSZACIVSA-N -1 3 357.428 0.878 10 0 FCAEHM C[C@@H]1C[C@@H](NC(=O)c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)c2ncnn21 ZINC000617440033 492168735 /nfs/dbraw/zinc/16/87/35/492168735.db2.gz MCXIIOPNOXJNQF-OGTWGDGJSA-N -1 3 354.370 0.769 10 0 FCAEHM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)CC[N-]S(=O)(=O)c2cccs2)CC1=O ZINC000608219913 492168806 /nfs/dbraw/zinc/16/88/06/492168806.db2.gz YNMPOVPYGILPNB-UTUOFQBUSA-N -1 3 371.484 0.542 10 0 FCAEHM COC(=O)[C@@H](C[C@@H]1CCCOC1)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000599457589 492175254 /nfs/dbraw/zinc/17/52/54/492175254.db2.gz UHTDAMZDUZQMFF-NWDGAFQWSA-N -1 3 373.431 0.302 10 0 FCAEHM CCN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-])[C@@H]1CCN(C)C1 ZINC000617552738 492175546 /nfs/dbraw/zinc/17/55/46/492175546.db2.gz UMXABBPFLVUZBN-GFCCVEGCSA-N -1 3 355.460 0.809 10 0 FCAEHM COc1cc(C)c(C)cc1NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000617547925 492176054 /nfs/dbraw/zinc/17/60/54/492176054.db2.gz GWVOTWOENUZFQD-UHFFFAOYSA-N -1 3 352.416 0.963 10 0 FCAEHM COC(=O)CCNC(=O)CC[N-]S(=O)(=O)c1ccc(C)c(F)c1F ZINC000599476685 492178482 /nfs/dbraw/zinc/17/84/82/492178482.db2.gz GBGLTXJZVLCUAS-UHFFFAOYSA-N -1 3 364.370 0.621 10 0 FCAEHM COC(=O)CC1(CS(=O)(=O)[N-][C@@H]2CCO[C@@H]2c2nc(C)no2)CC1 ZINC000599519677 492183069 /nfs/dbraw/zinc/18/30/69/492183069.db2.gz UTHRHKIXBKLZHJ-PWSUYJOCSA-N -1 3 359.404 0.471 10 0 FCAEHM COC(=O)c1ncccc1S(=O)(=O)[N-][C@@H]1CCN(C2CCC2)C1=O ZINC000599524299 492183392 /nfs/dbraw/zinc/18/33/92/492183392.db2.gz SAVLRKKHHPXUGE-LLVKDONJSA-N -1 3 353.400 0.300 10 0 FCAEHM COC(=O)c1ccc(F)c2c1CN(Cc1cc(=O)n3nc(N)[n-]c3n1)CC2 ZINC000599548082 492185883 /nfs/dbraw/zinc/18/58/83/492185883.db2.gz ATFAUFUVBHEXGL-UHFFFAOYSA-N -1 3 372.360 0.314 10 0 FCAEHM CO[C@@]1(CO)CCCN(C(=O)CC[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000617792460 492191605 /nfs/dbraw/zinc/19/16/05/492191605.db2.gz RXCMJTLIWVPMHG-INIZCTEOSA-N -1 3 374.434 0.494 10 0 FCAEHM CO[C@]1(CO)CCCN(C(=O)c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)C1 ZINC000617799295 492192421 /nfs/dbraw/zinc/19/24/21/492192421.db2.gz QGJBNLGWOMZVJS-ZWKOTPCHSA-N -1 3 361.398 0.355 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CC[C@H](O)C(F)(F)C1 ZINC000617819044 492193698 /nfs/dbraw/zinc/19/36/98/492193698.db2.gz YFJZEHNJWYPKMP-VIFPVBQESA-N -1 3 354.400 0.645 10 0 FCAEHM C[C@H]1COC2(CCC2)CN1C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000617950543 492207246 /nfs/dbraw/zinc/20/72/46/492207246.db2.gz FQDSFZAZWIGAGM-VIFPVBQESA-N -1 3 372.219 0.881 10 0 FCAEHM C[C@@H]1CN(C(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)C[C@@H](C)C1O ZINC000618264523 492219376 /nfs/dbraw/zinc/21/93/76/492219376.db2.gz YNFWFHGEGONYMJ-VXGBXAGGSA-N -1 3 357.410 0.733 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1C[C@@H](CO)[C@H](CO)C1 ZINC000600018945 492231845 /nfs/dbraw/zinc/23/18/45/492231845.db2.gz QKKZWKGWQDXEPH-QWRGUYRKSA-N -1 3 370.427 0.231 10 0 FCAEHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N1CC[C@](OC)(C(=O)OC)C1 ZINC000600042709 492236348 /nfs/dbraw/zinc/23/63/48/492236348.db2.gz WWRLRQQZYLWUIB-OAHLLOKOSA-N -1 3 370.383 0.264 10 0 FCAEHM C[C@]12COC[C@H]1CN(C(=O)CC[N-]S(=O)(=O)c1ccccc1F)C2 ZINC000618727238 492236649 /nfs/dbraw/zinc/23/66/49/492236649.db2.gz RONHOCHTFWALRV-WBMJQRKESA-N -1 3 356.419 0.989 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2nnnn2C2CC2)c(Cl)c1 ZINC000610269186 492240882 /nfs/dbraw/zinc/24/08/82/492240882.db2.gz YWLWSHYWDZHXSS-UHFFFAOYSA-N -1 3 371.806 0.927 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@H]1C[C@H](O)C12CCC2 ZINC000619082497 492249742 /nfs/dbraw/zinc/24/97/42/492249742.db2.gz SXLSDBOYWLSUIP-BPNCWPANSA-N -1 3 356.419 0.912 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@@H]1C[C@H](O)C12CCC2 ZINC000619092304 492249954 /nfs/dbraw/zinc/24/99/54/492249954.db2.gz XMTLYYXTLBCDDJ-BDAKNGLRSA-N -1 3 358.192 0.131 10 0 FCAEHM COC(=O)[C@@H](Cc1cccc(OC)c1)NC(=O)c1cn(C)c(=O)[n-]c1=O ZINC000600270166 492255369 /nfs/dbraw/zinc/25/53/69/492255369.db2.gz FCLXYRRONAXCIN-CYBMUJFWSA-N -1 3 361.354 0.009 10 0 FCAEHM COC(=O)[C@]1(OC)CCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)C1 ZINC000600285185 492256163 /nfs/dbraw/zinc/25/61/63/492256163.db2.gz IYWTUEMLJBXRSW-HNNXBMFYSA-N -1 3 356.400 0.462 10 0 FCAEHM COC(=O)c1ccc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)c(OCC(F)F)c1 ZINC000600305718 492258269 /nfs/dbraw/zinc/25/82/69/492258269.db2.gz QWYIXLFKGCIISF-VIFPVBQESA-N -1 3 371.296 0.654 10 0 FCAEHM CCS(=O)(=O)C1(CNC(=O)CCNC(=O)c2ccc(C)cc2[O-])CC1 ZINC000620052472 492287152 /nfs/dbraw/zinc/28/71/52/492287152.db2.gz VYXBSBRNEKMTMU-UHFFFAOYSA-N -1 3 368.455 0.904 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)N1CC[C@@H]2COC[C@@H]2C1 ZINC000620156462 492297116 /nfs/dbraw/zinc/29/71/16/492297116.db2.gz JXYFWVWDIJNBNX-OLZOCXBDSA-N -1 3 356.419 0.989 10 0 FCAEHM CO[C@H]1CN(C(=O)C[N-]S(=O)(=O)c2ccccc2F)[C@@](C)(CO)C1 ZINC000634057798 492315828 /nfs/dbraw/zinc/31/58/28/492315828.db2.gz ALYJJROOJMANMS-IAQYHMDHSA-N -1 3 360.407 0.102 10 0 FCAEHM CN(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)Cc1ccccc1 ZINC000647578519 492322058 /nfs/dbraw/zinc/32/20/58/492322058.db2.gz QMRJGBWVIXSGPL-ARFHVFGLSA-N -1 3 361.442 0.645 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)NC2CC(C)(C)C2)s1 ZINC000620743578 492332758 /nfs/dbraw/zinc/33/27/58/492332758.db2.gz RTXQIEPNZMRDDI-UHFFFAOYSA-N -1 3 373.500 0.967 10 0 FCAEHM CC[C@H](C)c1cccc(NC(=O)C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)c1 ZINC000627527956 492333200 /nfs/dbraw/zinc/33/32/00/492333200.db2.gz VJYHHRPEHDRHAU-FZMZJTMJSA-N -1 3 358.398 0.901 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCC[C@](O)(CN(C)C)C1 ZINC000647624750 492337397 /nfs/dbraw/zinc/33/73/97/492337397.db2.gz LTIKSHNOADVZJR-KRWDZBQOSA-N -1 3 369.487 0.977 10 0 FCAEHM CC[C@@H]1CN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C[C@H](C)N1 ZINC000620906392 492343821 /nfs/dbraw/zinc/34/38/21/492343821.db2.gz DRPIIORDVIHDNN-DTWKUNHWSA-N -1 3 359.224 0.310 10 0 FCAEHM C[C@H](NC(=O)c1cc(C(N)=O)cn1C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000647705563 492348231 /nfs/dbraw/zinc/34/82/31/492348231.db2.gz ZZQNOSCJFKEEEX-UWVGGRQHSA-N -1 3 359.386 0.618 10 0 FCAEHM C[C@]1(C(F)F)CN(C(=O)C[N-]S(=O)(=O)c2cccs2)CCO1 ZINC000621198103 492361033 /nfs/dbraw/zinc/36/10/33/492361033.db2.gz RGULIUJDXSTUJQ-GFCCVEGCSA-N -1 3 354.400 0.909 10 0 FCAEHM CS(=O)(=O)[N-]c1cc(C(=O)N2CC(CN3CCOCC3)C2)ccc1F ZINC000647805811 492363184 /nfs/dbraw/zinc/36/31/84/492363184.db2.gz FEUUNSSDDRVNJK-UHFFFAOYSA-N -1 3 371.434 0.601 10 0 FCAEHM C[C@@H]1CN(Cc2cc(=O)n3nc(N)[n-]c3n2)C[C@@H](c2ccc(F)cc2)O1 ZINC000621259559 492365042 /nfs/dbraw/zinc/36/50/42/492365042.db2.gz ZUJWCBGGSZCTCS-YGRLFVJLSA-N -1 3 358.377 0.931 10 0 FCAEHM Cc1cc([C@@H]2CN(Cc3cc(=O)n4nc(N)[n-]c4n3)CCO2)ccc1F ZINC000621271490 492367052 /nfs/dbraw/zinc/36/70/52/492367052.db2.gz JQAYAQJSVOAKKD-AWEZNQCLSA-N -1 3 358.377 0.851 10 0 FCAEHM C[C@@H](CC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1)NC(N)=O ZINC000654945008 492382894 /nfs/dbraw/zinc/38/28/94/492382894.db2.gz NVKZVRJIZJKZRD-ZETCQYMHSA-N -1 3 368.868 0.243 10 0 FCAEHM CCn1nnc(C)c1CNC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000627874200 492409973 /nfs/dbraw/zinc/40/99/73/492409973.db2.gz FZNYWCBVXNJOIF-JTQLQIEISA-N -1 3 357.461 0.651 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)CNC(=O)c3ccncc3)cc2n(C)c1=O ZINC000643039535 492415528 /nfs/dbraw/zinc/41/55/28/492415528.db2.gz HNRXQFZUFXVYKJ-UHFFFAOYSA-N -1 3 355.354 0.346 10 0 FCAEHM C[C@]1(c2ccc(C(=O)NC3CC(N4CCOCC4)C3)cc2)NC(=O)[N-]C1=O ZINC000627935252 492423867 /nfs/dbraw/zinc/42/38/67/492423867.db2.gz PSPBVPLCZHESNO-JFIBYHEFSA-N -1 3 372.425 0.334 10 0 FCAEHM O=C([O-])c1ccc(CNC(=O)C(=O)N2CCN(c3ccncc3)CC2)cc1 ZINC000643178434 492428575 /nfs/dbraw/zinc/42/85/75/492428575.db2.gz IPWUSAOKRRXYAG-UHFFFAOYSA-N -1 3 368.393 0.745 10 0 FCAEHM O=C(c1cc(N2CCCCC2)ncn1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000621979868 492437859 /nfs/dbraw/zinc/43/78/59/492437859.db2.gz APZQCFYNGDBNON-QGZVFWFLSA-N -1 3 358.402 0.281 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CC2(CCC2)OC[C@@H]1C ZINC000622146597 492458984 /nfs/dbraw/zinc/45/89/84/492458984.db2.gz ZNMSNWGODUGNMI-JTQLQIEISA-N -1 3 357.432 0.740 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1C[C@]2(C)COC[C@]2(C)C1 ZINC000622155650 492459377 /nfs/dbraw/zinc/45/93/77/492459377.db2.gz OYZCTZVFVACPFP-GASCZTMLSA-N -1 3 357.432 0.455 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)N1CCOc2ncccc2C1 ZINC000648860939 492466950 /nfs/dbraw/zinc/46/69/50/492466950.db2.gz AYORTWFBPINMTI-UHFFFAOYSA-N -1 3 365.386 0.920 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@@H](C[C@H]2CCCO2)C(F)(F)F)cc1C(N)=O ZINC000655661097 492474951 /nfs/dbraw/zinc/47/49/51/492474951.db2.gz AVWZNRWXTQSEET-KCJUWKMLSA-N -1 3 369.365 0.902 10 0 FCAEHM C[C@H](CNC(=O)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1)C(=O)[O-] ZINC000655985710 492505180 /nfs/dbraw/zinc/50/51/80/492505180.db2.gz BSABNPMUMZPRTE-AUUYWEPGSA-N -1 3 361.442 0.994 10 0 FCAEHM CCN(CCNC(=O)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C1CC1 ZINC000655985287 492505557 /nfs/dbraw/zinc/50/55/57/492505557.db2.gz WPIKISNYLGMYTQ-KWCYVHTRSA-N -1 3 353.463 0.839 10 0 FCAEHM C[C@H]1C(=O)N(C)CN1C(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2C ZINC000649160183 492506838 /nfs/dbraw/zinc/50/68/38/492506838.db2.gz DPORAZDPIOONQZ-QMMMGPOBSA-N -1 3 357.370 0.172 10 0 FCAEHM CN1CC[C@@H](C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)S1(=O)=O ZINC000649212391 492511047 /nfs/dbraw/zinc/51/10/47/492511047.db2.gz MRVVFZNPFRJAAH-VIFPVBQESA-N -1 3 357.342 0.722 10 0 FCAEHM CN1CC[C@@H](C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)S1(=O)=O ZINC000649212391 492511051 /nfs/dbraw/zinc/51/10/51/492511051.db2.gz MRVVFZNPFRJAAH-VIFPVBQESA-N -1 3 357.342 0.722 10 0 FCAEHM CN1CC[C@@H](C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)S1(=O)=O ZINC000649212391 492511055 /nfs/dbraw/zinc/51/10/55/492511055.db2.gz MRVVFZNPFRJAAH-VIFPVBQESA-N -1 3 357.342 0.722 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)NC[C@H](O)[C@@H]1CCCO1 ZINC000628590769 492526837 /nfs/dbraw/zinc/52/68/37/492526837.db2.gz LAWUHIRHQPFXPZ-IUCAKERBSA-N -1 3 368.864 0.336 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@H]2c3ccccc3CN(C)C2=O)cc1C(N)=O ZINC000623237800 492531760 /nfs/dbraw/zinc/53/17/60/492531760.db2.gz KOJRSFTYPGGJAQ-AWEZNQCLSA-N -1 3 362.411 0.116 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@H]1c2ccccc2CN(C)C1=O)[C@@H]1CCOC1 ZINC000623240610 492532342 /nfs/dbraw/zinc/53/23/42/492532342.db2.gz PVPWKHLAAHPYJJ-BMFZPTHFSA-N -1 3 368.455 0.671 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NC[C@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000628740583 492542270 /nfs/dbraw/zinc/54/22/70/492542270.db2.gz JTYYWUCQYIBEKS-ZDUSSCGKSA-N -1 3 366.805 0.213 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N[C@@H]1COCCC1=O ZINC000628872802 492558109 /nfs/dbraw/zinc/55/81/09/492558109.db2.gz YZCZWNFJENOGGR-SSDOTTSWSA-N -1 3 352.821 0.154 10 0 FCAEHM CCn1c(=O)[n-]c(=O)c2c(C(=O)N[C@H]3COCCC3=O)cc(C(C)C)nc21 ZINC000628872320 492558262 /nfs/dbraw/zinc/55/82/62/492558262.db2.gz SOJGLHVCGZLDHY-LBPRGKRZSA-N -1 3 374.397 0.728 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC=C(c3cnn(C)c3)C2)cn1 ZINC000636165890 492558784 /nfs/dbraw/zinc/55/87/84/492558784.db2.gz RDYHPDROJMPLOI-UHFFFAOYSA-N -1 3 361.427 0.653 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)NC[C@]2(C)C[C@H]3C[C@H]3C2)cn1C ZINC000629056373 492574873 /nfs/dbraw/zinc/57/48/73/492574873.db2.gz FSWKUEYRVHZUPK-YWVIFJGQSA-N -1 3 354.476 0.949 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000629137368 492579530 /nfs/dbraw/zinc/57/95/30/492579530.db2.gz VHUVLHJHFUBUOM-BLLLJJGKSA-N -1 3 355.394 0.942 10 0 FCAEHM CCO[C@H](CS(=O)(=O)[N-]c1cccc(C(=O)NCC(N)=O)c1)C1CC1 ZINC000629291188 492602622 /nfs/dbraw/zinc/60/26/22/492602622.db2.gz NPALDAKXIOFKPN-CQSZACIVSA-N -1 3 369.443 0.459 10 0 FCAEHM CC1(F)CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncccc2F)C1 ZINC000656375513 492616046 /nfs/dbraw/zinc/61/60/46/492616046.db2.gz VRJYAASYYHJEGR-UHFFFAOYSA-N -1 3 369.415 0.726 10 0 FCAEHM NC(=O)C[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CCO1 ZINC000629395489 492620158 /nfs/dbraw/zinc/62/01/58/492620158.db2.gz QQYGCNCSRWUDPQ-TZMCWYRMSA-N -1 3 361.398 0.100 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CCO[C@H](CC(N)=O)C1 ZINC000629403083 492622035 /nfs/dbraw/zinc/62/20/35/492622035.db2.gz RPHIVBJSQGXQPT-SNVBAGLBSA-N -1 3 359.386 0.268 10 0 FCAEHM C[C@]1(c2ccc(CN3C(=O)N4CC5CC4(C5)C3=O)cc2)NC(=O)[N-]C1=O ZINC000656801424 492649046 /nfs/dbraw/zinc/64/90/46/492649046.db2.gz UTOOFMJQMSQLPM-CXKHSYRPSA-N -1 3 354.366 0.668 10 0 FCAEHM CC(C)c1ccc(C(=O)N2CCOC[C@H]2CNS(C)(=O)=O)c([O-])c1 ZINC000629572163 492649731 /nfs/dbraw/zinc/64/97/31/492649731.db2.gz OBDZCFPFVWQXDB-CYBMUJFWSA-N -1 3 356.444 0.906 10 0 FCAEHM C[C@]1(C[C@H]2CCCN2C(=O)C[C@@H](O)Cc2ccccc2)NC(=O)[N-]C1=O ZINC000644127266 492650769 /nfs/dbraw/zinc/65/07/69/492650769.db2.gz LQWYXEDVLBMJQO-ZRGWGRIASA-N -1 3 359.426 0.959 10 0 FCAEHM C[C@@H]1C[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)F)cc1 ZINC000629616838 492659382 /nfs/dbraw/zinc/65/93/82/492659382.db2.gz CHDBIFVQCHIOQY-LDYMZIIASA-N -1 3 354.400 0.917 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]Cc1n[nH]cc1Br)[C@H]1CCOC1 ZINC000656898734 492662819 /nfs/dbraw/zinc/66/28/19/492662819.db2.gz WDYXKKJZXGIPJL-KWQFWETISA-N -1 3 368.253 0.643 10 0 FCAEHM Cn1nnnc1CC[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000644196111 492666220 /nfs/dbraw/zinc/66/62/20/492666220.db2.gz QRBQALPUIYYWLD-UHFFFAOYSA-N -1 3 369.300 0.769 10 0 FCAEHM COc1ccccc1[C@H](CO)[N-]S(=O)(=O)C[C@H](OC)[C@@H]1CCOC1 ZINC000656913710 492667482 /nfs/dbraw/zinc/66/74/82/492667482.db2.gz OIPXSCTWIXNGFX-INWMFGNUSA-N -1 3 359.444 0.700 10 0 FCAEHM NC(C(=O)N[C@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O)C(F)(F)F ZINC000650784603 492668308 /nfs/dbraw/zinc/66/83/08/492668308.db2.gz NVXFEEOTPISNKQ-GARJFASQSA-N -1 3 359.304 0.419 10 0 FCAEHM COCCN1CC[C@H]([N-]S(=O)(=O)c2ncccc2Br)C1 ZINC000656964368 492680207 /nfs/dbraw/zinc/68/02/07/492680207.db2.gz DARMPLLXPVLMDA-JTQLQIEISA-N -1 3 364.265 0.843 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@H](C(N)=O)[C@H](C)c1ccccc1)[C@@H]1CCOC1 ZINC000656993842 492689794 /nfs/dbraw/zinc/68/97/94/492689794.db2.gz IUXGRWPKCYDLRT-MIGQKNRLSA-N -1 3 370.471 0.615 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@H](C(N)=O)[C@@H](C)c1ccccc1)[C@@H]1CCOC1 ZINC000656993844 492689812 /nfs/dbraw/zinc/68/98/12/492689812.db2.gz IUXGRWPKCYDLRT-XZDPQHSOSA-N -1 3 370.471 0.615 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-]CC(=O)Nc2cccnc2)CCOCC1 ZINC000624945227 492700681 /nfs/dbraw/zinc/70/06/81/492700681.db2.gz VFCFLPRFAAXUTR-UHFFFAOYSA-N -1 3 357.432 0.525 10 0 FCAEHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c2ncnn21 ZINC000657066193 492708418 /nfs/dbraw/zinc/70/84/18/492708418.db2.gz JWKSIGIRHNBWAF-PRHODGIISA-N -1 3 361.383 0.488 10 0 FCAEHM CO[C@@H]1CCC[C@H]([C@@H](CO)[N-]S(=O)(=O)c2cnn3c2OCCC3)C1 ZINC000657078715 492709963 /nfs/dbraw/zinc/70/99/63/492709963.db2.gz ZUDWNBZIHUEIFR-YNEHKIRRSA-N -1 3 359.448 0.510 10 0 FCAEHM O=S(=O)([N-]C[C@@]1(OCCO)CCOC1)c1ccc(Cl)c(F)c1 ZINC000657085993 492711685 /nfs/dbraw/zinc/71/16/85/492711685.db2.gz JYAMCRFOQYPTPB-ZDUSSCGKSA-N -1 3 353.799 0.925 10 0 FCAEHM Cc1cc(N2CC[C@@H]([N-]S(=O)(=O)[C@H]3COC(C)(C)C3)C2=O)n(C)n1 ZINC000625026509 492711984 /nfs/dbraw/zinc/71/19/84/492711984.db2.gz FETJUDYJFZFYHD-VXGBXAGGSA-N -1 3 356.448 0.321 10 0 FCAEHM Cc1cc(S(=O)(=O)[N-]C[C@@]2(OCCO)CCOC2)c(F)cc1F ZINC000657084856 492712330 /nfs/dbraw/zinc/71/23/30/492712330.db2.gz CEAGNODSVZFUHO-AWEZNQCLSA-N -1 3 351.371 0.720 10 0 FCAEHM Cc1cc(N2CC[C@H]([N-]S(=O)(=O)[C@@H]3COC(C)(C)C3)C2=O)n(C)n1 ZINC000625026506 492712337 /nfs/dbraw/zinc/71/23/37/492712337.db2.gz FETJUDYJFZFYHD-RYUDHWBXSA-N -1 3 356.448 0.321 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCC[C@@H]1c1cn[nH]c1 ZINC000630006754 492713369 /nfs/dbraw/zinc/71/33/69/492713369.db2.gz ZOYZBHQJGRYFTC-GFCCVEGCSA-N -1 3 353.404 0.657 10 0 FCAEHM CO[C@@H]1CS(=O)(=O)C[C@@H]1[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000657102023 492722425 /nfs/dbraw/zinc/72/24/25/492722425.db2.gz WIXIGKXHSDUVSC-WDEREUQCSA-N -1 3 371.839 0.878 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@]2(C)COC[C@]2(C)C1 ZINC000657109268 492723190 /nfs/dbraw/zinc/72/31/90/492723190.db2.gz BRVMBICJWPRIFZ-GASCZTMLSA-N -1 3 374.484 0.642 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@@H](CO)c1cnn(C)c1)c1ccc(F)cc1 ZINC000625096756 492723562 /nfs/dbraw/zinc/72/35/62/492723562.db2.gz RUUYYQGTJZQADT-LSDHHAIUSA-N -1 3 357.407 0.900 10 0 FCAEHM CN(CC1CN(C)C1)S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000657122982 492725710 /nfs/dbraw/zinc/72/57/10/492725710.db2.gz OEEBOIAWZMOSDN-UHFFFAOYSA-N -1 3 356.839 0.702 10 0 FCAEHM CN(CC1CN(C)C1)S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000657122982 492725713 /nfs/dbraw/zinc/72/57/13/492725713.db2.gz OEEBOIAWZMOSDN-UHFFFAOYSA-N -1 3 356.839 0.702 10 0 FCAEHM C[C@H]1CCC[C@@H](CNS(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)O1 ZINC000657154239 492733590 /nfs/dbraw/zinc/73/35/90/492733590.db2.gz JHHZAOXFGBKBNT-UWVGGRQHSA-N -1 3 368.415 0.270 10 0 FCAEHM COc1ccnc(C[N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)c1F ZINC000657158627 492734098 /nfs/dbraw/zinc/73/40/98/492734098.db2.gz DVODDWIFNRHRNS-SNVBAGLBSA-N -1 3 356.379 0.866 10 0 FCAEHM C[C@H]1CCCc2nc(S(=O)(=O)[N-]Cc3nc(C(N)=O)cs3)cn21 ZINC000657177070 492737538 /nfs/dbraw/zinc/73/75/38/492737538.db2.gz GXIKZMOSCTZYJY-QMMMGPOBSA-N -1 3 355.445 0.814 10 0 FCAEHM C[C@]1(c2cccc(NC(=O)C3(N4CCOCC4)CC3)c2)NC(=O)[N-]C1=O ZINC000630745730 492772390 /nfs/dbraw/zinc/77/23/90/492772390.db2.gz QFABCJIEVZARLI-QGZVFWFLSA-N -1 3 358.398 0.545 10 0 FCAEHM CC(C)n1cnc(=NC(=O)C(=O)N[C@H](C)CN2C[C@H](C)C[C@H](C)C2)[n-]1 ZINC000651534275 492776529 /nfs/dbraw/zinc/77/65/29/492776529.db2.gz AFDUHHPEPOREOF-HZSPNIEDSA-N -1 3 350.467 0.702 10 0 FCAEHM CC(C)n1cnc(=NC(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)[n-]1 ZINC000651586478 492787323 /nfs/dbraw/zinc/78/73/23/492787323.db2.gz BAOQMEZZEDTFJA-UHFFFAOYSA-N -1 3 370.457 0.435 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CN2C(=O)N3C[C@@H](OC)C[C@]3(C)C2=O)s1 ZINC000630980421 492791616 /nfs/dbraw/zinc/79/16/16/492791616.db2.gz AGXLICRXSRAONH-LKFCYVNXSA-N -1 3 373.456 0.598 10 0 FCAEHM COCCN(C)CCN1C[C@H](N=c2nc([C@H](C)OC)[n-]s2)CC1=O ZINC000631307238 492811446 /nfs/dbraw/zinc/81/14/46/492811446.db2.gz NNAZNLNHNDBDLX-NWDGAFQWSA-N -1 3 357.480 0.258 10 0 FCAEHM COC1(CS(=O)(=O)[N-][C@@H](C2CC2)[C@@]2(CO)CCCO2)CCOCC1 ZINC000651720671 492813077 /nfs/dbraw/zinc/81/30/77/492813077.db2.gz HKHSZNRZVQIZJG-HOCLYGCPSA-N -1 3 363.476 0.422 10 0 FCAEHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@@H](NS(C)(=O)=O)C3)nc2)n1 ZINC000644871314 492817770 /nfs/dbraw/zinc/81/77/70/492817770.db2.gz BMPJBDGVSSSNOH-CYBMUJFWSA-N -1 3 363.443 0.935 10 0 FCAEHM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H]1CO[C@@H](C2CC2)C1 ZINC000625576487 492825313 /nfs/dbraw/zinc/82/53/13/492825313.db2.gz HUUYYJZHZYIMHZ-CHWSQXEVSA-N -1 3 374.484 0.783 10 0 FCAEHM NC(=O)[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)C1 ZINC000651838209 492830816 /nfs/dbraw/zinc/83/08/16/492830816.db2.gz DYVUEFVJBQZZNM-DTORHVGOSA-N -1 3 357.819 0.767 10 0 FCAEHM COCCOc1ccc(F)cc1S(=O)(=O)[N-]CC[C@@]1(O)CCOC1 ZINC000651839548 492831740 /nfs/dbraw/zinc/83/17/40/492831740.db2.gz JXPVWKYCIAIFKV-OAHLLOKOSA-N -1 3 363.407 0.671 10 0 FCAEHM COCCNC(=O)C[N-]S(=O)(=O)Cc1ncsc1Br ZINC000631683734 492835439 /nfs/dbraw/zinc/83/54/39/492835439.db2.gz IMVOXYXJOCTDPN-UHFFFAOYSA-N -1 3 372.266 0.088 10 0 FCAEHM O=S(=O)(Cc1ccon1)[N-]C[C@H]1CN(Cc2ccncc2)CCO1 ZINC000625617891 492840122 /nfs/dbraw/zinc/84/01/22/492840122.db2.gz CPLIHRXRRBHTOE-HNNXBMFYSA-N -1 3 352.416 0.390 10 0 FCAEHM C[C@H]1C[C@H](S(=O)(=O)[N-]CC(=O)Nc2ccc3c(c2)OCCO3)CCO1 ZINC000625617877 492840225 /nfs/dbraw/zinc/84/02/25/492840225.db2.gz PTUBUSMYDBAWKH-WCQYABFASA-N -1 3 370.427 0.883 10 0 FCAEHM CCOc1ccncc1S(=O)(=O)[N-][C@@H]1CCO[C@@H]1c1nc(C)no1 ZINC000625661045 492854739 /nfs/dbraw/zinc/85/47/39/492854739.db2.gz MOZUJJGLSVSGIU-MFKMUULPSA-N -1 3 354.388 0.980 10 0 FCAEHM CO[C@H]1C[C@@H](C[N-]S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)C1 ZINC000625666285 492855830 /nfs/dbraw/zinc/85/58/30/492855830.db2.gz ANVJCVROFDIHGJ-TXEJJXNPSA-N -1 3 362.473 0.640 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)CN2CCc3ccccc3C2=O)nc1=N ZINC000651976757 492857121 /nfs/dbraw/zinc/85/71/21/492857121.db2.gz BYYGJNVNZIXQIF-AWEZNQCLSA-N -1 3 354.414 0.590 10 0 FCAEHM COc1ccccc1N1CCC([N-]S(=O)(=O)c2nncn2C)CC1 ZINC000631846800 492863018 /nfs/dbraw/zinc/86/30/18/492863018.db2.gz INUNTKKUAPRIDL-UHFFFAOYSA-N -1 3 351.432 0.771 10 0 FCAEHM C[C@@H]1COCCN1CC[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000631900857 492873887 /nfs/dbraw/zinc/87/38/87/492873887.db2.gz JSFBAUDSGXGIDI-SECBINFHSA-N -1 3 356.370 0.438 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C)[C@@H](C)N1CCOCC1 ZINC000631906170 492874881 /nfs/dbraw/zinc/87/48/81/492874881.db2.gz FOQXKHQNDJWZGO-NXEZZACHSA-N -1 3 370.397 0.826 10 0 FCAEHM C[C@@H](CN1CCN(C)CC1)[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000631916451 492881703 /nfs/dbraw/zinc/88/17/03/492881703.db2.gz YZZUJQLJGDXDEU-JTQLQIEISA-N -1 3 369.413 0.353 10 0 FCAEHM O=C1C[C@@H](S(=O)(=O)[N-][C@@H]2CCN(c3ccccc3)C2=O)CN1C1CC1 ZINC000631934491 492891274 /nfs/dbraw/zinc/89/12/74/492891274.db2.gz CIXHXOYSWAFTSB-HUUCEWRRSA-N -1 3 363.439 0.475 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]CCN1CCSCC1 ZINC000631952469 492896707 /nfs/dbraw/zinc/89/67/07/492896707.db2.gz JKUHCAJHZNKIOS-UHFFFAOYSA-N -1 3 358.411 0.766 10 0 FCAEHM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C(=O)N(C)CC1CN(C)C1 ZINC000658449717 492897391 /nfs/dbraw/zinc/89/73/91/492897391.db2.gz PXWCYNKLHFTZMR-UHFFFAOYSA-N -1 3 363.443 0.375 10 0 FCAEHM O=S(=O)(C[C@H]1CNCCO1)[N-][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000631958672 492898276 /nfs/dbraw/zinc/89/82/76/492898276.db2.gz ACOODVNKNKQXFW-DFBGVHRSSA-N -1 3 362.398 0.703 10 0 FCAEHM CCN1C[C@@H](S(=O)(=O)[N-][C@@H]2CCCN(c3ccccc3)C2=O)CC1=O ZINC000631969585 492900940 /nfs/dbraw/zinc/90/09/40/492900940.db2.gz GDKMYLGGZQPJJV-LSDHHAIUSA-N -1 3 365.455 0.722 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-][C@@H](C(N)=O)c1ccccc1)C1CCOCC1 ZINC000645448409 492907405 /nfs/dbraw/zinc/90/74/05/492907405.db2.gz CXVOFUBDLXSHCQ-LSDHHAIUSA-N -1 3 356.444 0.574 10 0 FCAEHM Cc1nn2cc(Br)cnc2c1S(=O)(=O)[N-]CC(C)(C)O ZINC000632006772 492909297 /nfs/dbraw/zinc/90/92/97/492909297.db2.gz NHCHVMLNTVMUJT-UHFFFAOYSA-N -1 3 363.237 0.849 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CCCC(=O)NC2CC2)coc1C(=O)N(C)C ZINC000645472788 492911701 /nfs/dbraw/zinc/91/17/01/492911701.db2.gz WKLRBDFAMIGWTO-UHFFFAOYSA-N -1 3 357.432 0.627 10 0 FCAEHM CCc1nncn1CC[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000632046868 492918816 /nfs/dbraw/zinc/91/88/16/492918816.db2.gz WKUBLZXFTBUECS-UHFFFAOYSA-N -1 3 352.342 0.571 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@@H](C)[C@@H](C)N2CCOCC2)coc1C(=O)N(C)C ZINC000645521202 492919319 /nfs/dbraw/zinc/91/93/19/492919319.db2.gz MHZXCHGWSGKGSZ-QWHCGFSZSA-N -1 3 373.475 0.677 10 0 FCAEHM Cc1cc(N2CC[C@H]([N-]S(=O)(=O)CCC[C@@H]3CCOC3)C2=O)n(C)n1 ZINC000645569403 492928102 /nfs/dbraw/zinc/92/81/02/492928102.db2.gz IZBBIBQQAOOILG-KGLIPLIRSA-N -1 3 370.475 0.570 10 0 FCAEHM C[C@@H](CCS(C)(=O)=O)[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000632106933 492931087 /nfs/dbraw/zinc/93/10/87/492931087.db2.gz TUHYNDIAUSJEAY-ZETCQYMHSA-N -1 3 363.383 0.540 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CCCNC(=O)C2CCC2)coc1C(=O)N(C)C ZINC000645582779 492932064 /nfs/dbraw/zinc/93/20/64/492932064.db2.gz VFNKISITNBJWEH-UHFFFAOYSA-N -1 3 371.459 0.875 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@H](C)CCS(C)(=O)=O)coc1C(=O)N(C)C ZINC000645605276 492939218 /nfs/dbraw/zinc/93/92/18/492939218.db2.gz WKZLELYDKPIOSV-SECBINFHSA-N -1 3 366.461 0.391 10 0 FCAEHM Cc1oc(C(=O)NCCNC(=O)c2ccc([O-])cc2)cc1S(C)(=O)=O ZINC000626191425 492945752 /nfs/dbraw/zinc/94/57/52/492945752.db2.gz JQNVYAJFWUDMNN-UHFFFAOYSA-N -1 3 366.395 0.857 10 0 FCAEHM COC[C@@H](C[N-]S(=O)(=O)Cc1ncsc1Br)OC ZINC000632197784 492948842 /nfs/dbraw/zinc/94/88/42/492948842.db2.gz XHMDTRISGMHYSB-SSDOTTSWSA-N -1 3 359.267 0.986 10 0 FCAEHM Cc1c(C(=O)N(C)C)occ1S(=O)(=O)[N-][C@@H](CO)CC(F)(F)F ZINC000645629939 492950516 /nfs/dbraw/zinc/95/05/16/492950516.db2.gz OGUXGRNDNBKTCI-MRVPVSSYSA-N -1 3 358.338 0.881 10 0 FCAEHM CCN1C[C@@H](S(=O)(=O)[N-][C@@H]2CCCN(c3cccnc3)C2=O)CC1=O ZINC000632203731 492950680 /nfs/dbraw/zinc/95/06/80/492950680.db2.gz VTEOLQYRAKCFAK-UONOGXRCSA-N -1 3 366.443 0.117 10 0 FCAEHM CCS(=O)(=O)C[C@H](C)[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000645629574 492950782 /nfs/dbraw/zinc/95/07/82/492950782.db2.gz HQMUHOGZLHKSCN-VIFPVBQESA-N -1 3 366.461 0.391 10 0 FCAEHM CN1CCO[C@@H](CS(=O)(=O)[N-]Cc2ncc(-c3ccccc3)cn2)C1 ZINC000632214669 492951793 /nfs/dbraw/zinc/95/17/93/492951793.db2.gz IAZMQRHTNBCUAX-MRXNPFEDSA-N -1 3 362.455 0.894 10 0 FCAEHM CCO[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000645650242 492954707 /nfs/dbraw/zinc/95/47/07/492954707.db2.gz XXWHDKRSBMUNDF-VXGBXAGGSA-N -1 3 360.432 0.762 10 0 FCAEHM COC[C@H]([N-]S(=O)(=O)C[C@H](OC)C1CCOCC1)[C@@H]1CCCO1 ZINC000645687828 492959817 /nfs/dbraw/zinc/95/98/17/492959817.db2.gz XMZVWLJJEGYZGZ-KKUMJFAQSA-N -1 3 351.465 0.541 10 0 FCAEHM CO[C@@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000645746296 492969234 /nfs/dbraw/zinc/96/92/34/492969234.db2.gz OSWYAUBZVSEMIB-VXGBXAGGSA-N -1 3 360.432 0.620 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CCN2CCC(O)CC2)coc1C(=O)N(C)C ZINC000645750193 492970281 /nfs/dbraw/zinc/97/02/81/492970281.db2.gz LILSGNZGOIKLDC-UHFFFAOYSA-N -1 3 359.448 0.025 10 0 FCAEHM CCS(=O)(=O)CCC[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000645761429 492971255 /nfs/dbraw/zinc/97/12/55/492971255.db2.gz GMUXRUCGYARNPY-UHFFFAOYSA-N -1 3 366.461 0.393 10 0 FCAEHM CNC(=O)[C@H](C[N-]S(=O)(=O)c1c[nH]cn1)Cc1ccc(F)cc1C ZINC000645780392 492973877 /nfs/dbraw/zinc/97/38/77/492973877.db2.gz FVAWERADAFHIDB-LBPRGKRZSA-N -1 3 354.407 0.740 10 0 FCAEHM CCN1C[C@H](S(=O)(=O)[N-][C@H]([C@@H]2CCCO2)C2(CO)CCC2)CC1=O ZINC000632346825 492979648 /nfs/dbraw/zinc/97/96/48/492979648.db2.gz GUSSPWAZVQQUEG-VNHYZAJKSA-N -1 3 360.476 0.237 10 0 FCAEHM C[C@@H]1C(=O)N(C)CN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000645865030 492984814 /nfs/dbraw/zinc/98/48/14/492984814.db2.gz LNBAMGRJXOIQPE-MRVPVSSYSA-N -1 3 365.408 0.006 10 0 FCAEHM CN(C)C(=O)C1([N-]S(=O)(=O)[C@@H]2CC(=O)N(C3CC3)C2)CCCCC1 ZINC000632406328 492991524 /nfs/dbraw/zinc/99/15/24/492991524.db2.gz MAZWEEOQKFWVJH-CYBMUJFWSA-N -1 3 357.476 0.460 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)Nc2ncn(C(C)C)n2)cn1C ZINC000652728217 493006587 /nfs/dbraw/zinc/00/65/87/493006587.db2.gz YWGMUDGVNKAXDZ-UHFFFAOYSA-N -1 3 355.424 0.208 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]CC[C@]1(O)CCCOC1 ZINC000632514685 493019042 /nfs/dbraw/zinc/01/90/42/493019042.db2.gz UFGZQMKXARRNOS-LLVKDONJSA-N -1 3 357.354 0.649 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H]1C[C@@H](C(N)=O)C1 ZINC000652795500 493019491 /nfs/dbraw/zinc/01/94/91/493019491.db2.gz QYOJCTNIQWEZEE-BETUJISGSA-N -1 3 355.398 0.453 10 0 FCAEHM O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC(=O)NCCN2CCCCCC2)C1 ZINC000646179772 493023379 /nfs/dbraw/zinc/02/33/79/493023379.db2.gz BRMUXJBUZMROFS-KGLIPLIRSA-N -1 3 354.451 0.531 10 0 FCAEHM CN1CCO[C@H](CS(=O)(=O)[N-][C@H]2CCc3ccccc3NC2=O)C1 ZINC000632536572 493023624 /nfs/dbraw/zinc/02/36/24/493023624.db2.gz PHLRAWHEOWWVRZ-ZFWWWQNUSA-N -1 3 353.444 0.190 10 0 FCAEHM O=C1CC[C@@H](C[N-]S(=O)(=O)Cc2ncsc2Br)N1 ZINC000632563036 493029749 /nfs/dbraw/zinc/02/97/49/493029749.db2.gz GPVLCYWBVNNVHP-LURJTMIESA-N -1 3 354.251 0.604 10 0 FCAEHM CCN1C[C@H](S(=O)(=O)[N-]C[C@H](OC)c2cccc(OC)c2)CC1=O ZINC000632589039 493036830 /nfs/dbraw/zinc/03/68/30/493036830.db2.gz CHRCPLXZTOQHAX-CABCVRRESA-N -1 3 356.444 0.923 10 0 FCAEHM C[C@@H]1C(=O)N(C)CN1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000646331182 493040847 /nfs/dbraw/zinc/04/08/47/493040847.db2.gz GLNQAFJBPXPUEN-SECBINFHSA-N -1 3 370.406 0.918 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(CCOC)CC2(C)C)cn1 ZINC000652926940 493044234 /nfs/dbraw/zinc/04/42/34/493044234.db2.gz SBFXVSPAPWMZJP-UHFFFAOYSA-N -1 3 370.475 0.173 10 0 FCAEHM C[C@]1(c2cccc(C(=O)N3CC(C)(C)O[C@@H]4COC[C@H]43)c2)NC(=O)[N-]C1=O ZINC000653006165 493057738 /nfs/dbraw/zinc/05/77/38/493057738.db2.gz GWHCZQWFDURATA-PJIJBLCYSA-N -1 3 373.409 0.760 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)NC1COCCOC1 ZINC000646801188 493098285 /nfs/dbraw/zinc/09/82/85/493098285.db2.gz LMIZCJCTQDJASA-UHFFFAOYSA-N -1 3 354.837 0.211 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CC(F)(c3ccccc3F)C2)c1 ZINC000646894945 493119452 /nfs/dbraw/zinc/11/94/52/493119452.db2.gz BHNIECBPAQFGIQ-UHFFFAOYSA-N -1 3 370.381 0.545 10 0 FCAEHM NCc1cc(=O)[n-]c(CNC(=O)N[C@H]2CCCN(c3ccccc3)C2=O)n1 ZINC000659454308 493183469 /nfs/dbraw/zinc/18/34/69/493183469.db2.gz DSPFEJSAISIZCN-AWEZNQCLSA-N -1 3 370.413 0.636 10 0 FCAEHM C[C@]12COC[C@H]1CN(C(=O)Nc1ccc(C[C@@H]3NC(=O)[N-]C3=O)cc1)C2 ZINC000666513851 493197546 /nfs/dbraw/zinc/19/75/46/493197546.db2.gz SDLQWFTXDGLNDR-IAISJRAMSA-N -1 3 358.398 0.937 10 0 FCAEHM O=C(Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1)N1CCc2nccnc2C1 ZINC000666513579 493197665 /nfs/dbraw/zinc/19/76/65/493197665.db2.gz QGEHDLTUOCTUOB-AWEZNQCLSA-N -1 3 366.381 0.817 10 0 FCAEHM CC(C)CN1CCO[C@H](CNC(=O)CN2CC[C@H](C)[C@@H](C(=O)[O-])C2)C1 ZINC000647368121 493197868 /nfs/dbraw/zinc/19/78/68/493197868.db2.gz WVMHXUBGYCKLTJ-XHSDSOJGSA-N -1 3 355.479 0.502 10 0 FCAEHM O=C(CNC(=O)c1cccc([O-])c1)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000681734699 493211857 /nfs/dbraw/zinc/21/18/57/493211857.db2.gz KNOSAGIYXIDJSL-HNNXBMFYSA-N -1 3 361.398 0.018 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)NC[C@H]1CC12CCOCC2 ZINC000681816321 493221116 /nfs/dbraw/zinc/22/11/16/493221116.db2.gz MPSSUNLQUXQZOR-WCQYABFASA-N -1 3 371.459 0.891 10 0 FCAEHM CC(C)NC(=O)[C@@H]1CCCN(C(=O)NCc2nc(CN)cc(=O)[n-]2)C1 ZINC000659629136 493223020 /nfs/dbraw/zinc/22/30/20/493223020.db2.gz NEZCWBFMQMXPIA-LLVKDONJSA-N -1 3 350.423 0.087 10 0 FCAEHM C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659648811 493229242 /nfs/dbraw/zinc/22/92/42/493229242.db2.gz CJKMSHDBHGBIER-MCIONIFRSA-N -1 3 353.463 0.840 10 0 FCAEHM C[C@H](CNC(=O)C(=O)NCC1(C(=O)[O-])CCC1)N(C)Cc1ccccc1 ZINC000659650630 493230928 /nfs/dbraw/zinc/23/09/28/493230928.db2.gz CXCKHTMGLCEGSJ-CQSZACIVSA-N -1 3 361.442 0.994 10 0 FCAEHM CN(C)C1(CNC(=O)C(=O)NCC2(C(=O)[O-])CCC2)Cc2ccccc2C1 ZINC000659652495 493232140 /nfs/dbraw/zinc/23/21/40/493232140.db2.gz LBQZPCMGVAFYPL-UHFFFAOYSA-N -1 3 373.453 0.573 10 0 FCAEHM CCCN1CC[C@H](NC(=O)C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1 ZINC000659662184 493237977 /nfs/dbraw/zinc/23/79/77/493237977.db2.gz CGUKYQBDFXLCPE-XDQVBPFNSA-N -1 3 353.463 0.839 10 0 FCAEHM CCN1CC[C@H](NC(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C)c2)C1=O ZINC000672769942 493248457 /nfs/dbraw/zinc/24/84/57/493248457.db2.gz KYPGZKXRCLUINK-NSHDSACASA-N -1 3 358.395 0.476 10 0 FCAEHM CC(=O)N(CC(=O)[O-])C[C@H]1CN(C(=O)[C@H](C)N2CCCCCC2)CCO1 ZINC000681943730 493255018 /nfs/dbraw/zinc/25/50/18/493255018.db2.gz ODBKXZFSXKXZOA-GOEBONIOSA-N -1 3 369.462 0.411 10 0 FCAEHM O=C(Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1)N1CC(F)(F)C[C@H]1CO ZINC000682053397 493266052 /nfs/dbraw/zinc/26/60/52/493266052.db2.gz JCZCWVZYTGXJAH-RYUDHWBXSA-N -1 3 368.340 0.671 10 0 FCAEHM Cc1ccc(C)c(CN(C)C(=O)C(=O)NCc2nc(CN)cc(=O)[n-]2)c1 ZINC000659749044 493285293 /nfs/dbraw/zinc/28/52/93/493285293.db2.gz QLSUUDYOHSYFOL-UHFFFAOYSA-N -1 3 357.414 0.533 10 0 FCAEHM CN1CCc2cc(NC(=O)N3CCN4C(=O)[N-]C(=O)[C@H]4C3)ccc2C1=O ZINC000667761590 493301078 /nfs/dbraw/zinc/30/10/78/493301078.db2.gz XRSINYVXBZCOIA-CYBMUJFWSA-N -1 3 357.370 0.083 10 0 FCAEHM O=S(=O)([N-]CCC1CS(=O)(=O)C1)c1ccc(Br)cn1 ZINC000682488545 493303399 /nfs/dbraw/zinc/30/33/99/493303399.db2.gz NXHPVSNOUKADJG-UHFFFAOYSA-N -1 3 369.262 0.557 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1C[C@H](O)CC(F)(F)C1 ZINC000682571909 493309547 /nfs/dbraw/zinc/30/95/47/493309547.db2.gz URHCZNQDEFNGIP-VHSXEESVSA-N -1 3 366.361 0.721 10 0 FCAEHM O=C(CNC(=O)c1ccc([O-])cc1)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000673855550 493367592 /nfs/dbraw/zinc/36/75/92/493367592.db2.gz VFTQQAXBKRGOQJ-OAHLLOKOSA-N -1 3 361.398 0.018 10 0 FCAEHM O=C(NC[C@]1(O)CCSC1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000673952208 493377319 /nfs/dbraw/zinc/37/73/19/493377319.db2.gz KWWHFZSGNRRBFB-SUMWQHHRSA-N -1 3 350.440 0.981 10 0 FCAEHM CCc1cc(NC(=O)C(=O)NCc2ccc(S(=O)(=O)[N-]C)s2)no1 ZINC000674196993 493398985 /nfs/dbraw/zinc/39/89/85/493398985.db2.gz YKMYFXSMZUYVSD-UHFFFAOYSA-N -1 3 372.428 0.462 10 0 FCAEHM CN(CCN1CCCS1(=O)=O)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000674417527 493414393 /nfs/dbraw/zinc/41/43/93/493414393.db2.gz FNBBOZMYHNHZKE-UHFFFAOYSA-N -1 3 366.399 0.069 10 0 FCAEHM C[C@@H]1[C@H](NC(=O)CC[C@@H]2NC(=O)[N-]C2=O)CC(=O)N1Cc1ccccc1 ZINC000685015533 493442389 /nfs/dbraw/zinc/44/23/89/493442389.db2.gz PJNHWODRJPOVPG-KWCYVHTRSA-N -1 3 358.398 0.280 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@H]2C[C@H](C)n3ncnc32)s1 ZINC000661543917 493446150 /nfs/dbraw/zinc/44/61/50/493446150.db2.gz IVOSQUYJLKFSIP-WPRPVWTQSA-N -1 3 370.460 0.753 10 0 FCAEHM Cn1cc(CCC(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)nn1 ZINC000669090970 493462923 /nfs/dbraw/zinc/46/29/23/493462923.db2.gz RZOAXARETQHIGY-UHFFFAOYSA-N -1 3 367.406 0.966 10 0 FCAEHM O=C([O-])[C@]12COC[C@H]1CN(CC(=O)NCCOc1cccc(F)c1)C2 ZINC000662219697 493497709 /nfs/dbraw/zinc/49/77/09/493497709.db2.gz GZFSSNKOUHSUHK-SJKOYZFVSA-N -1 3 352.362 0.354 10 0 FCAEHM CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000669752896 493524816 /nfs/dbraw/zinc/52/48/16/493524816.db2.gz JZDYNYNBRZLMJP-GZMMTYOYSA-N -1 3 355.395 0.545 10 0 FCAEHM CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000669752896 493524818 /nfs/dbraw/zinc/52/48/18/493524818.db2.gz JZDYNYNBRZLMJP-GZMMTYOYSA-N -1 3 355.395 0.545 10 0 FCAEHM CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000669752896 493524819 /nfs/dbraw/zinc/52/48/19/493524819.db2.gz JZDYNYNBRZLMJP-GZMMTYOYSA-N -1 3 355.395 0.545 10 0 FCAEHM CCN1CC[C@@H](NC(=O)Nc2ccc(C[C@H]3NC(=O)[N-]C3=O)cc2)C1=O ZINC000669978297 493537974 /nfs/dbraw/zinc/53/79/74/493537974.db2.gz UFPAWQRGZIXTDF-CHWSQXEVSA-N -1 3 359.386 0.179 10 0 FCAEHM O=C([O-])CCC1CCN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)CC1 ZINC000662902733 493550624 /nfs/dbraw/zinc/55/06/24/493550624.db2.gz PHGRPIINZGTCHQ-UHFFFAOYSA-N -1 3 374.441 0.834 10 0 FCAEHM COC1(CNC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)CCOCC1 ZINC000676588010 493561416 /nfs/dbraw/zinc/56/14/16/493561416.db2.gz JVHFBIHTHVIOJP-LBPRGKRZSA-N -1 3 374.434 0.804 10 0 FCAEHM O=C([O-])c1ccc(CN2C(=O)C[C@H](N3CC[C@@H]4COC[C@@H]4C3)C2=O)cc1 ZINC000663221716 493578392 /nfs/dbraw/zinc/57/83/92/493578392.db2.gz QTTXRDNNRASTFQ-PMPSAXMXSA-N -1 3 358.394 0.981 10 0 FCAEHM Cc1ncc(S(=O)(=O)[N-]CCN2CCN(C(=O)C3CCC3)CC2)s1 ZINC000677239206 493592899 /nfs/dbraw/zinc/59/28/99/493592899.db2.gz OZOMEHODTIOKEM-UHFFFAOYSA-N -1 3 372.516 0.674 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@H]2C[C@@H](O)C23CCC3)s1 ZINC000663536760 493594408 /nfs/dbraw/zinc/59/44/08/493594408.db2.gz TWZWCLQXXOSUPN-WDEREUQCSA-N -1 3 359.473 0.759 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CC[C@@H]3COC[C@H]3C2)s1 ZINC000663537176 493595039 /nfs/dbraw/zinc/59/50/39/493595039.db2.gz WJKHMVBDELKEPY-GHMZBOCLSA-N -1 3 359.473 0.834 10 0 FCAEHM CNC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000677318203 493596381 /nfs/dbraw/zinc/59/63/81/493596381.db2.gz XCRFSFFEPFZVTJ-NSHDSACASA-N -1 3 362.473 0.529 10 0 FCAEHM CCN1C(=O)N=NC1C1CCN(C(=O)CNC(=O)c2ccc([O-])cc2)CC1 ZINC000677913339 493624367 /nfs/dbraw/zinc/62/43/67/493624367.db2.gz BHZAXIOTDCRIFH-UHFFFAOYSA-N -1 3 373.413 0.845 10 0 FCAEHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC2(CO)CC2)cc1F ZINC000678802059 493661685 /nfs/dbraw/zinc/66/16/85/493661685.db2.gz BHJJXLQAPNYICD-UHFFFAOYSA-N -1 3 366.436 0.781 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCc1cccc(=O)[nH]1 ZINC000679114690 493669992 /nfs/dbraw/zinc/66/99/92/493669992.db2.gz ODFMEUXZTLPYPI-JTQLQIEISA-N -1 3 353.375 0.910 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2C(F)(F)F)cn1 ZINC000681191630 493749747 /nfs/dbraw/zinc/74/97/47/493749747.db2.gz PCUUTZJHTFHDTE-SECBINFHSA-N -1 3 353.322 0.393 10 0 FCAEHM CN1C[C@@H](C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)NC1=O ZINC000665781783 493737427 /nfs/dbraw/zinc/73/74/27/493737427.db2.gz GOQOALQXMWBQRO-NSHDSACASA-N -1 3 372.472 0.041 10 0 FCAEHM O=C(NCc1cccc(OC2CC2)c1F)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000666230715 493762885 /nfs/dbraw/zinc/76/28/85/493762885.db2.gz XYRLRWYXVCDOFA-LBPRGKRZSA-N -1 3 362.361 0.813 10 0 FCAEHM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)C(=O)[N-]c2nccn2-c2ccccc2)CC1=O ZINC000411292230 533733566 /nfs/dbraw/zinc/73/35/66/533733566.db2.gz JYXJLXCPVNCPFO-IPYPFGDCSA-N -1 3 367.409 0.936 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCO[C@H]([C@@H](C)O)C1 ZINC000411954446 528125287 /nfs/dbraw/zinc/12/52/87/528125287.db2.gz QXJQCWFCGIRFMV-MNOVXSKESA-N -1 3 370.427 0.780 10 0 FCAEHM CC[C@@H]1[C@@H](CO)CCN1S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C ZINC000451728701 535957818 /nfs/dbraw/zinc/95/78/18/535957818.db2.gz TWPGHAMUXMJLDT-VXGBXAGGSA-N -1 3 362.473 0.376 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCOCC2(CC2)C1 ZINC000443040250 536331714 /nfs/dbraw/zinc/33/17/14/536331714.db2.gz CXRLEYFLFPLKJT-UHFFFAOYSA-N -1 3 360.457 0.396 10 0 FCAEHM COC[C@](C)(O)CCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000452350554 536644054 /nfs/dbraw/zinc/64/40/54/536644054.db2.gz YJLIDZUTXSWSNQ-ZWNOBZJWSA-N -1 3 350.462 0.319 10 0 FCAEHM COC[C@@](C)(O)CCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000452365292 536810766 /nfs/dbraw/zinc/81/07/66/536810766.db2.gz UKYNYXAKLYJOQF-KDOFPFPSSA-N -1 3 350.415 0.901 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000328659870 546514107 /nfs/dbraw/zinc/51/41/07/546514107.db2.gz UIDHUAQRVMUFFA-NSHDSACASA-N -1 3 369.418 0.326 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)c2ccnn2C)c1 ZINC000592104952 546607606 /nfs/dbraw/zinc/60/76/06/546607606.db2.gz BKROMZXCTBOBLT-LBPRGKRZSA-N -1 3 355.420 0.515 10 0 FCAEHM COCCN(C)S(=O)(=O)[N-][C@@H](C(=O)OC(C)(C)C)c1ccnn1C ZINC000592106562 546607935 /nfs/dbraw/zinc/60/79/35/546607935.db2.gz WGHWKJRDIAUAPV-GFCCVEGCSA-N -1 3 362.452 0.216 10 0 FCAEHM COCCN(C)S(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)c1ccnn1C ZINC000592106569 546608407 /nfs/dbraw/zinc/60/84/07/546608407.db2.gz WGHWKJRDIAUAPV-LBPRGKRZSA-N -1 3 362.452 0.216 10 0 FCAEHM COC1(CS(=O)(=O)[N-]C[C@@](C)(O)C(=O)OC(C)(C)C)CCOCC1 ZINC000593577573 546718874 /nfs/dbraw/zinc/71/88/74/546718874.db2.gz LQPRSLLRUWTBJY-CQSZACIVSA-N -1 3 367.464 0.194 10 0 FCAEHM COC1(CS(=O)(=O)[N-][C@@H](CCSC)C(=O)N(C)C)CCOCC1 ZINC000593595178 546721851 /nfs/dbraw/zinc/72/18/51/546721851.db2.gz CNAARVQCTUGJCA-LBPRGKRZSA-N -1 3 368.521 0.311 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-]Cc2ncc3c(n2)CCOC3)CCCC1 ZINC000593626648 546723735 /nfs/dbraw/zinc/72/37/35/546723735.db2.gz CJKZHVYFKMSPAN-UHFFFAOYSA-N -1 3 369.443 0.702 10 0 FCAEHM COC(=O)[C@@H](CCF)[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1F ZINC000593632382 546724150 /nfs/dbraw/zinc/72/41/50/546724150.db2.gz VPPJQWBUJCCKRR-LLVKDONJSA-N -1 3 350.343 0.964 10 0 FCAEHM COC(=O)[C@H](CCF)[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1F ZINC000593632383 546724550 /nfs/dbraw/zinc/72/45/50/546724550.db2.gz VPPJQWBUJCCKRR-NSHDSACASA-N -1 3 350.343 0.964 10 0 FCAEHM COC(=O)CC[C@H]([N-]S(=O)(=O)N(C)C1CC1)C(=O)OC(C)(C)C ZINC000593612638 546726975 /nfs/dbraw/zinc/72/69/75/546726975.db2.gz DFMMFCKMBOTJFO-NSHDSACASA-N -1 3 350.437 0.579 10 0 FCAEHM Cn1nccc1[C@@H]([N-]S(=O)(=O)N1CCCOCC1)C(=O)OC(C)(C)C ZINC000593613816 546727451 /nfs/dbraw/zinc/72/74/51/546727451.db2.gz QSUGFXQTLQATKF-CYBMUJFWSA-N -1 3 374.463 0.360 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]CC[C@@]1(O)CCCOC1 ZINC000593661183 546730977 /nfs/dbraw/zinc/73/09/77/546730977.db2.gz NDTDLVFZUAASTA-HNNXBMFYSA-N -1 3 361.416 0.893 10 0 FCAEHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]CC[C@@]1(O)CCOC1 ZINC000593636041 546733130 /nfs/dbraw/zinc/73/31/30/546733130.db2.gz BHEKMSQMYBJSGG-CQSZACIVSA-N -1 3 363.819 0.946 10 0 FCAEHM COC(=O)[C@@H](CCF)NC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000593795019 546751265 /nfs/dbraw/zinc/75/12/65/546751265.db2.gz KSQPWXCVUOQIEH-BZNIZROVSA-N -1 3 351.334 0.372 10 0 FCAEHM COC(=O)[C@H](CCF)NC(=O)C[N-]S(=O)(=O)c1ccccc1F ZINC000593806628 546753297 /nfs/dbraw/zinc/75/32/97/546753297.db2.gz GASIVDOYYDAFQO-JTQLQIEISA-N -1 3 350.343 0.121 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@H]1CCc2c(nnn2C)C1 ZINC000594479033 546796626 /nfs/dbraw/zinc/79/66/26/546796626.db2.gz MRFDCOCBJBQBOD-JTQLQIEISA-N -1 3 368.415 0.647 10 0 FCAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C[C@](C)(CO)OC ZINC000594485021 546797442 /nfs/dbraw/zinc/79/74/42/546797442.db2.gz OVGUNIGGLQGTSK-PSASIEDQSA-N -1 3 351.343 0.187 10 0 FCAEHM CCOC(=O)CCCS(=O)(=O)[N-][C@H]1Cc2ccccc2N(C)C1=O ZINC000594802817 546827099 /nfs/dbraw/zinc/82/70/99/546827099.db2.gz DFBACYJYZDNONX-ZDUSSCGKSA-N -1 3 354.428 0.837 10 0 FCAEHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C[C@H](OC)[C@H]1CCOC1 ZINC000594805130 546828788 /nfs/dbraw/zinc/82/87/88/546828788.db2.gz VHBKCNPVGVWFRJ-JQWIXIFHSA-N -1 3 361.391 0.942 10 0 FCAEHM COC(=O)c1cccc(CS(=O)(=O)[N-]C[C@@]2(OCCO)CCOC2)c1 ZINC000594818709 546831937 /nfs/dbraw/zinc/83/19/37/546831937.db2.gz YNMPWRJVQTUAPW-INIZCTEOSA-N -1 3 373.427 0.061 10 0 FCAEHM COC(=O)[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)CCCOc1ccc(OC)cc1 ZINC000594822998 546835984 /nfs/dbraw/zinc/83/59/84/546835984.db2.gz QNWNKRZNKGSGAX-LSDHHAIUSA-N -1 3 373.427 0.714 10 0 FCAEHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCO[C@H]1C(=O)OC ZINC000594824491 546837282 /nfs/dbraw/zinc/83/72/82/546837282.db2.gz LYXPLNZHXSXFJR-JOYOIKCWSA-N -1 3 361.347 0.221 10 0 FCAEHM CCn1cc(S(=O)(=O)[N-]Cc2ccc(-c3nncnn3)cc2)nc1C ZINC000651899831 546838821 /nfs/dbraw/zinc/83/88/21/546838821.db2.gz SXFKDIRRFMNWET-UHFFFAOYSA-N -1 3 359.415 0.937 10 0 FCAEHM CN(C[C@H](O)CO)C(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000545417891 547030303 /nfs/dbraw/zinc/03/03/03/547030303.db2.gz DCNNWWWNMKWGQH-JTQLQIEISA-N -1 3 374.440 0.245 10 0 FCAEHM CCO[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000546783205 547045221 /nfs/dbraw/zinc/04/52/21/547045221.db2.gz MULRJRWYUJYQBW-VXGBXAGGSA-N -1 3 363.457 0.562 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CCc2nnc3n2CCC3)s1 ZINC000551948334 547176397 /nfs/dbraw/zinc/17/63/97/547176397.db2.gz XHULBMQZQRYNPJ-UHFFFAOYSA-N -1 3 369.472 0.443 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)NC2(CCO)CCCC2)cn1C ZINC000553170506 547256436 /nfs/dbraw/zinc/25/64/36/547256436.db2.gz FTSRVMHLLVGDTN-UHFFFAOYSA-N -1 3 358.464 0.208 10 0 FCAEHM C[C@]1(C[C@@H]2CCCN2C(=O)C2CN(CC(F)(F)F)C2)NC(=O)[N-]C1=O ZINC000553449663 547279819 /nfs/dbraw/zinc/27/98/19/547279819.db2.gz WBGPNXSQBUNTCC-IINYFYTJSA-N -1 3 362.352 0.460 10 0 FCAEHM C[C@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)C1(S(C)(=O)=O)CC1 ZINC000553472592 547282015 /nfs/dbraw/zinc/28/20/15/547282015.db2.gz FVUQENRONDLHCL-VIFPVBQESA-N -1 3 366.486 0.108 10 0 FCAEHM CS(=O)(=O)N1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CC1 ZINC000024509663 547398517 /nfs/dbraw/zinc/39/85/17/547398517.db2.gz ZRANJQANNHKYKC-UHFFFAOYSA-N -1 3 362.411 0.747 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCc2nnc(C3CCC3)n2C)c(C)o1 ZINC000184018874 547406562 /nfs/dbraw/zinc/40/65/62/547406562.db2.gz JOACVQMMQHVBFO-UHFFFAOYSA-N -1 3 367.431 0.822 10 0 FCAEHM O=C(CC[C@@H]1NC(=O)[N-]C1=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000188777757 547407264 /nfs/dbraw/zinc/40/72/64/547407264.db2.gz LUZQFEHBCJNFAD-AWEZNQCLSA-N -1 3 364.833 0.803 10 0 FCAEHM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)C1CN([C@H]2CCOC2)C1 ZINC000898438002 665875003 /nfs/dbraw/zinc/87/50/03/665875003.db2.gz DVRQTAQZAIIMQQ-KGYLQXTDSA-N -1 3 363.380 0.765 10 0 FCAEHM COc1ncc(C(=O)[N-]N2C(=O)[C@H](C)N(C)C2=O)cc1Br ZINC000899036984 665924010 /nfs/dbraw/zinc/92/40/10/665924010.db2.gz AHUGQHMQGILIOA-LURJTMIESA-N -1 3 357.164 0.780 10 0 FCAEHM CSC[C@@](C)(O)C[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000866850413 663145028 /nfs/dbraw/zinc/14/50/28/663145028.db2.gz ASHKKOHATQRXKG-VIFPVBQESA-N -1 3 358.283 0.575 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](COC)[C@@H]2CCCOC2)ccc1F ZINC000899652571 665950088 /nfs/dbraw/zinc/95/00/88/665950088.db2.gz DCNLURVYQYBVQD-TZMCWYRMSA-N -1 3 374.434 0.905 10 0 FCAEHM Cn1c(CNC(=O)CN2CCN(Cc3ccccc3)CC2)n[n-]c1=S ZINC000066626292 664038260 /nfs/dbraw/zinc/03/82/60/664038260.db2.gz PGDBUOKIHLXGOZ-UHFFFAOYSA-N -1 3 360.487 0.912 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-][C@H]2CCSC2)c1I ZINC000866884770 664207125 /nfs/dbraw/zinc/20/71/25/664207125.db2.gz AFYDYGJSGMDXKW-LURJTMIESA-N -1 3 373.241 0.809 10 0 FCAEHM CS(=O)(=O)c1cccnc1CNC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436822624 664882557 /nfs/dbraw/zinc/88/25/57/664882557.db2.gz PXKNYVCDEVFOOZ-UHFFFAOYSA-N -1 3 350.352 0.849 10 0 FCAEHM COc1ncc(S(=O)(=O)[N-]Cc2ccc(S(N)(=O)=O)cc2)s1 ZINC000319979655 664983849 /nfs/dbraw/zinc/98/38/49/664983849.db2.gz QZGAIZQZVUHDEG-UHFFFAOYSA-N -1 3 363.442 0.278 10 0 FCAEHM CS(=O)(=O)CCCOC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000728623157 665154266 /nfs/dbraw/zinc/15/42/66/665154266.db2.gz AWKUEOZGVXORPZ-ZDUSSCGKSA-N -1 3 355.412 0.975 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@H]2CC(=O)N(C3CC3)C2)c(Br)n1 ZINC000866916212 665159579 /nfs/dbraw/zinc/15/95/79/665159579.db2.gz QYHOKBIPBPOTBO-ZETCQYMHSA-N -1 3 363.237 0.224 10 0 FCAEHM COC[C@@](C)([N-]S(=O)(=O)c1cn(C)nc1Br)C(=O)OC ZINC000866947456 665238002 /nfs/dbraw/zinc/23/80/02/665238002.db2.gz CGDCDUFMQHXOCL-SNVBAGLBSA-N -1 3 370.225 0.039 10 0 FCAEHM Cc1cc(S(=O)(=O)[N-]C[C@@]2(CO)COCCN2C)c(F)cc1F ZINC000921340195 666437436 /nfs/dbraw/zinc/43/74/36/666437436.db2.gz XTNMTYAAUOQVCQ-CQSZACIVSA-N -1 3 350.387 0.245 10 0 FCAEHM CCOC(=O)[C@H](COC)[N-]S(=O)(=O)c1cccc(Br)n1 ZINC000921380316 666442370 /nfs/dbraw/zinc/44/23/70/666442370.db2.gz RAVMXTNSRNAWRS-QMMMGPOBSA-N -1 3 367.221 0.701 10 0 FCAEHM COC(=O)[C@@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)CCn1ccnc1 ZINC000921382093 666442471 /nfs/dbraw/zinc/44/24/71/666442471.db2.gz WWNZHJYYAVYOOM-CQSZACIVSA-N -1 3 355.391 0.726 10 0 FCAEHM CN1CCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C[C@@H]1CO ZINC000913550864 666535783 /nfs/dbraw/zinc/53/57/83/666535783.db2.gz DBLVEGITUXFKJJ-CYBMUJFWSA-N -1 3 371.434 0.015 10 0 FCAEHM O=C(NC[C@H]1COCCO1)N[N-]C(=O)c1ccccc1Br ZINC000057083052 666554080 /nfs/dbraw/zinc/55/40/80/666554080.db2.gz QHYWOJXDPYGWLL-VIFPVBQESA-N -1 3 358.192 0.809 10 0 FCAEHM COCCO[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)Cc1noc2c1CCCC2 ZINC000914396365 666750568 /nfs/dbraw/zinc/75/05/68/666750568.db2.gz OUOJTCZCZLKFOE-XJKSGUPXSA-N -1 3 374.459 0.793 10 0 FCAEHM CNC(=O)[C@@H](O)C[N-]S(=O)(=O)Cc1ccsc1Br ZINC000914430479 666756540 /nfs/dbraw/zinc/75/65/40/666756540.db2.gz AYHDXXYMJHBYNB-ZETCQYMHSA-N -1 3 357.251 0.037 10 0 FCAEHM CN1C(=S)N=NC1CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000731228217 666811316 /nfs/dbraw/zinc/81/13/16/666811316.db2.gz NGWDXRGBNLCROX-NSHDSACASA-N -1 3 361.427 0.730 10 0 FCAEHM CC(C)(C)NS(=O)(=O)CC(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000731731179 666836911 /nfs/dbraw/zinc/83/69/11/666836911.db2.gz YHMWAKSOPRHTEN-UHFFFAOYSA-N -1 3 362.429 0.266 10 0 FCAEHM COc1cc(F)c(S(=O)(=O)[N-]C[C@@]2(OCCO)CCOC2)cc1F ZINC000917236920 667065792 /nfs/dbraw/zinc/06/57/92/667065792.db2.gz GTBKGRNQGWEGQF-AWEZNQCLSA-N -1 3 367.370 0.420 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C2CC(N3CCOCC3)C2)c(F)c1 ZINC000918283850 667109050 /nfs/dbraw/zinc/10/90/50/667109050.db2.gz NKHXJYDEBNLZMR-UHFFFAOYSA-N -1 3 372.418 0.754 10 0 FCAEHM Cc1cc(S(=O)(=O)[N-]CC23COCCN2CCOC3)c(F)cc1F ZINC000918395879 667117649 /nfs/dbraw/zinc/11/76/49/667117649.db2.gz BGDKWVDOLJBKCQ-UHFFFAOYSA-N -1 3 362.398 0.653 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CCCc2ncnn2C)c(Br)n1 ZINC000919536706 667183928 /nfs/dbraw/zinc/18/39/28/667183928.db2.gz DBQGPJQWIAFERO-UHFFFAOYSA-N -1 3 363.241 0.222 10 0 FCAEHM Cn1cnnc1S(=O)(=O)[N-]CC1(n2cc(Br)cn2)CC1 ZINC000921664801 667213975 /nfs/dbraw/zinc/21/39/75/667213975.db2.gz GKFNCVYWPMFHRJ-UHFFFAOYSA-N -1 3 361.225 0.242 10 0 FCAEHM CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]C[C@@H]1CCC2(CCOCC2)O1 ZINC000921674955 667221240 /nfs/dbraw/zinc/22/12/40/667221240.db2.gz RPUVTYHCJKIXJP-MQJDWESPSA-N -1 3 355.482 0.123 10 0 FCAEHM COC[C@@H](CS(=O)(=O)[N-]CC(=O)N1CCCCc2ccccc21)OC ZINC000921685872 667245276 /nfs/dbraw/zinc/24/52/76/667245276.db2.gz BJTAFYCZTOUYDW-HNNXBMFYSA-N -1 3 370.471 0.937 10 0 FCAEHM CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]Cc1cn(C)nc1Br ZINC000920958473 667260570 /nfs/dbraw/zinc/26/05/70/667260570.db2.gz AULVBRNUILILSF-SFHVURJKSA-N -1 3 374.286 0.091 10 0 FCAEHM CCN(C(=O)C[N-]S(=O)(=O)CC1(C(=O)OC)CC1)c1ccccc1 ZINC000921002265 667262427 /nfs/dbraw/zinc/26/24/27/667262427.db2.gz FYNHJVZXFZQQPW-UHFFFAOYSA-N -1 3 354.428 0.912 10 0 FCAEHM COC(=O)/C(C)=C\C[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000921210663 667272350 /nfs/dbraw/zinc/27/23/50/667272350.db2.gz AABAELOKCZODEQ-DAXSKMNVSA-N -1 3 352.210 0.580 10 0 FCAEHM CCOC(=O)[C@H](CC1CC1)[N-]S(=O)(=O)N1CCC[C@H]1C(=O)OCC ZINC000751981551 667497968 /nfs/dbraw/zinc/49/79/68/667497968.db2.gz ITGFJFHAJWBCSA-STQMWFEESA-N -1 3 362.448 0.580 10 0 FCAEHM CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)OC1CCN(c2ccncn2)CC1 ZINC000752579949 667522114 /nfs/dbraw/zinc/52/21/14/667522114.db2.gz UKVGVCICIONVCG-AWEZNQCLSA-N -1 3 370.475 0.953 10 0 FCAEHM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CCN2C2CCOCC2)o1 ZINC000921908580 667537492 /nfs/dbraw/zinc/53/74/92/667537492.db2.gz POWQHRSXHIATBY-CYBMUJFWSA-N -1 3 372.443 0.988 10 0 FCAEHM Cn1nccc1[C@@H](O)C[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000921967954 667556064 /nfs/dbraw/zinc/55/60/64/667556064.db2.gz UMAVLJQNPBRBNX-JTQLQIEISA-N -1 3 350.322 0.846 10 0 FCAEHM CCC1(CC)CNC(=O)[C@@H]1[N-]S(=O)(=O)C[C@@]1(OC(C)C)CCOC1 ZINC000922037400 667572438 /nfs/dbraw/zinc/57/24/38/667572438.db2.gz BFTPRLZJOVZZBP-XJKSGUPXSA-N -1 3 362.492 0.795 10 0 FCAEHM Cn1nnc2c1C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cn1)CC2 ZINC000922044045 667573760 /nfs/dbraw/zinc/57/37/60/667573760.db2.gz HCPDZRPNKYMAOD-VIFPVBQESA-N -1 3 372.248 0.808 10 0 FCAEHM CC1(CNC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)OCCCO1 ZINC000754448895 667597625 /nfs/dbraw/zinc/59/76/25/667597625.db2.gz XLICQHNSCLCMPA-UHFFFAOYSA-N -1 3 368.864 0.949 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](CCO)C1CCOCC1 ZINC000763614083 667958609 /nfs/dbraw/zinc/95/86/09/667958609.db2.gz QBXVLPCHWSHRBS-NSHDSACASA-N -1 3 351.856 0.838 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CCS(=O)(=O)CC1CC1 ZINC000765228573 668002954 /nfs/dbraw/zinc/00/29/54/668002954.db2.gz AWINCNKQFYEXRD-UHFFFAOYSA-N -1 3 355.869 0.485 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@@](C)(O)C(=O)OC(C)(C)C ZINC000765945261 668017438 /nfs/dbraw/zinc/01/74/38/668017438.db2.gz MKNJFAZMJQLEOZ-CYBMUJFWSA-N -1 3 367.855 0.753 10 0 FCAEHM Cc1nc(C[N-]S(=O)(=O)C2CN(C(=O)OCc3ccccc3)C2)no1 ZINC000742309266 668033469 /nfs/dbraw/zinc/03/34/69/668033469.db2.gz OQFRSMANKSSKTD-UHFFFAOYSA-N -1 3 366.399 0.818 10 0 FCAEHM Cn1ncc(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)c1C1CC1 ZINC000771487680 668254734 /nfs/dbraw/zinc/25/47/34/668254734.db2.gz GHWRHYJUWUPMMS-UHFFFAOYSA-N -1 3 368.191 0.961 10 0 FCAEHM COc1cc2c(c(OC)c1)S(=O)(=O)N(Cc1nc(C)cc(=O)[n-]1)C2=O ZINC000790030653 668870248 /nfs/dbraw/zinc/87/02/48/668870248.db2.gz XBOOGBFIBBQXDH-UHFFFAOYSA-N -1 3 365.367 0.853 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]C[C@@H]2CCCCN2S(C)(=O)=O)nc1Cl ZINC000796177597 669085731 /nfs/dbraw/zinc/08/57/31/669085731.db2.gz WUVFKHRMVFOCLG-VIFPVBQESA-N -1 3 370.884 0.166 10 0 FCAEHM Cn1c(CO)nn(CN2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1=S ZINC000799140426 669284641 /nfs/dbraw/zinc/28/46/41/669284641.db2.gz YYXTWNSZXSLJRU-UHFFFAOYSA-N -1 3 367.397 0.791 10 0 FCAEHM CN(C[C@@H](O)CN1CCC(c2n[nH]c(=O)[n-]2)CC1)C(=O)OC(C)(C)C ZINC000822992867 669312426 /nfs/dbraw/zinc/31/24/26/669312426.db2.gz YZHNOHJZUMRGPC-GFCCVEGCSA-N -1 3 355.439 0.918 10 0 FCAEHM O=C([N-]N1CC(=O)NC1=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000807062212 669466553 /nfs/dbraw/zinc/46/65/53/669466553.db2.gz ONIPOIYIGRGMJP-UHFFFAOYSA-N -1 3 364.667 0.880 10 0 FCAEHM Cn1nnc(Br)c1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000810365369 669673965 /nfs/dbraw/zinc/67/39/65/669673965.db2.gz IXVBPMHPSQFPFR-UHFFFAOYSA-N -1 3 363.179 0.688 10 0 FCAEHM Cn1nnc(Br)c1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000810365369 669673969 /nfs/dbraw/zinc/67/39/69/669673969.db2.gz IXVBPMHPSQFPFR-UHFFFAOYSA-N -1 3 363.179 0.688 10 0 FCAEHM O=C([N-]C[C@@H]1CCCN(C(=O)NCCCn2ccnn2)C1)C(F)(F)F ZINC000811903361 669779314 /nfs/dbraw/zinc/77/93/14/669779314.db2.gz RHYIDIIWMASLIZ-NSHDSACASA-N -1 3 362.356 0.768 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000815108612 669899921 /nfs/dbraw/zinc/89/99/21/669899921.db2.gz KDSWGLLXCAWSQB-OCCSQVGLSA-N -1 3 363.867 0.980 10 0 FCAEHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cn(C)c(Cl)n2)[C@H]1n1cccn1 ZINC000815110161 669900252 /nfs/dbraw/zinc/90/02/52/669900252.db2.gz GATRXKNEJJWZFY-HOSYDEDBSA-N -1 3 359.839 0.967 10 0 FCAEHM CCO[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867104897 669940114 /nfs/dbraw/zinc/94/01/14/669940114.db2.gz IHPJDGWWHPTDCO-IUCAKERBSA-N -1 3 368.253 0.655 10 0 FCAEHM CO[C@@H](C)C[N-]S(=O)(=O)c1cnn(C)c1I ZINC000867158662 670029480 /nfs/dbraw/zinc/02/94/80/670029480.db2.gz IPHKQIKOZVXAFY-LURJTMIESA-N -1 3 359.189 0.338 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)OC[C@@H]1COCCO1 ZINC000837485216 670111830 /nfs/dbraw/zinc/11/18/30/670111830.db2.gz YWMBSOJWPJPIDY-QMMMGPOBSA-N -1 3 355.821 0.638 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CC(C)(C)OCCO)c(Br)n1 ZINC000867274536 670612466 /nfs/dbraw/zinc/61/24/66/670612466.db2.gz UYUMKHUTKQQKPO-UHFFFAOYSA-N -1 3 356.242 0.248 10 0 FCAEHM COCC[C@H](COC)[N-]S(=O)(=O)c1cnn(C)c1Br ZINC000867281268 670619873 /nfs/dbraw/zinc/61/98/73/670619873.db2.gz CRROYFIYDZDTSM-MRVPVSSYSA-N -1 3 356.242 0.512 10 0 FCAEHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC(C)(C(N)=O)C2)ccc1F ZINC000843938872 670871589 /nfs/dbraw/zinc/87/15/89/670871589.db2.gz BYGUVMPSBBGBGS-UHFFFAOYSA-N -1 3 371.434 0.850 10 0 FCAEHM O=C(c1cc2c(cc1[O-])OCO2)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000844018937 670882047 /nfs/dbraw/zinc/88/20/47/670882047.db2.gz ZNRMGGUWIDEGRM-HNNXBMFYSA-N -1 3 355.368 0.151 10 0 FCAEHM Cc1ccc(Br)c(CS(=O)(=O)[N-][C@@H]2COC[C@H]2O)c1 ZINC000867359065 670925416 /nfs/dbraw/zinc/92/54/16/670925416.db2.gz GYDAIHAUMPXCBP-VXGBXAGGSA-N -1 3 350.234 0.937 10 0 FCAEHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]CC[C@@]1(O)CCOC1 ZINC000845986763 671061970 /nfs/dbraw/zinc/06/19/70/671061970.db2.gz PXXVMFGMKRZCIT-CYBMUJFWSA-N -1 3 364.807 0.341 10 0 FCAEHM CN(C)C(=O)C1([N-]S(=O)(=O)c2cnn(C)c2Br)CC1 ZINC000867403764 671079810 /nfs/dbraw/zinc/07/98/10/671079810.db2.gz VVFCLDYAAPSAME-UHFFFAOYSA-N -1 3 351.226 0.082 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2CN(C3CC3)C(=O)O2)c(C)o1 ZINC000848366268 671272234 /nfs/dbraw/zinc/27/22/34/671272234.db2.gz QNLBOMXDMHHIJN-JTQLQIEISA-N -1 3 357.388 0.209 10 0 FCAEHM O=S(=O)(C[C@@H]1CCCS(=O)(=O)C1)[N-]C[C@]12OCCC[C@H]1C2(F)F ZINC000849459600 671349172 /nfs/dbraw/zinc/34/91/72/671349172.db2.gz RFBAMSYQLKBBCC-UTUOFQBUSA-N -1 3 373.443 0.545 10 0 FCAEHM CCOC(=O)N1CCC(S(=O)(=O)[N-][C@](C)(CCF)C(=O)OC)CC1 ZINC000849469004 671350733 /nfs/dbraw/zinc/35/07/33/671350733.db2.gz MCNHEDPVIFHGPN-CQSZACIVSA-N -1 3 368.427 0.818 10 0 FCAEHM CCC(C)(C)NC(=O)COC(=O)C[N-]S(=O)(=O)c1c(C)noc1C ZINC000007631764 671414221 /nfs/dbraw/zinc/41/42/21/671414221.db2.gz ZUNHIHALWPUWSY-UHFFFAOYSA-N -1 3 361.420 0.418 10 0 FCAEHM C[C@@H]1CCN(CCN2C(=O)CN(C)C2=O)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000852756530 671523701 /nfs/dbraw/zinc/52/37/01/671523701.db2.gz MMRHPRUTZQJMFM-ZJUUUORDSA-N -1 3 350.341 0.269 10 0 FCAEHM COC(=O)c1cnc(COC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)cn1 ZINC000853155719 671538851 /nfs/dbraw/zinc/53/88/51/671538851.db2.gz FPBLBZRUOHNKRQ-NSHDSACASA-N -1 3 359.404 0.270 10 0 FCAEHM CC(=O)N1CSC[C@@H]1C(=O)N[C@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000854453317 671578992 /nfs/dbraw/zinc/57/89/92/671578992.db2.gz DJGGCLDHBQVMRM-CKYFFXLPSA-N -1 3 366.443 0.788 10 0 FCAEHM Cc1nc(C)c(CCC(=O)NCC(=O)N(C)OCC(F)(F)F)c(=O)[n-]1 ZINC000857429059 671728393 /nfs/dbraw/zinc/72/83/93/671728393.db2.gz CDBMANVYDCSWDW-UHFFFAOYSA-N -1 3 364.324 0.800 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@H]1CCn2cncc21 ZINC000857989977 671748112 /nfs/dbraw/zinc/74/81/12/671748112.db2.gz VHDRLXITMCEGCZ-QMMMGPOBSA-N -1 3 354.164 0.169 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-]N2C(=O)N[C@](C)(CC)C2=O)CCOCC1 ZINC000859133520 671795733 /nfs/dbraw/zinc/79/57/33/671795733.db2.gz CKARNEGZKYIWIX-CYBMUJFWSA-N -1 3 363.436 0.127 10 0 FCAEHM CCn1ncc(C[N-]S(=O)(=O)c2cc(C(=O)OC)ccc2OC)n1 ZINC000859253075 671804624 /nfs/dbraw/zinc/80/46/24/671804624.db2.gz YNJFVMSJRXUZRC-UHFFFAOYSA-N -1 3 354.388 0.572 10 0 FCAEHM CCON(CC)C(=O)C[N-]S(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000859272097 671806344 /nfs/dbraw/zinc/80/63/44/671806344.db2.gz MZCMUIQNGDPUSK-UHFFFAOYSA-N -1 3 350.422 0.180 10 0 FCAEHM COC(=O)[C@H](C[C@@H]1CCCOC1)[N-]S(=O)(=O)CCCOC(C)=O ZINC000859341206 671817519 /nfs/dbraw/zinc/81/75/19/671817519.db2.gz CGIZJPGFACZOER-STQMWFEESA-N -1 3 351.421 0.217 10 0 FCAEHM COC(=O)[C@@H](C[C@@H]1CCCOC1)[N-]S(=O)(=O)CCCOC(C)=O ZINC000859341205 671817550 /nfs/dbraw/zinc/81/75/50/671817550.db2.gz CGIZJPGFACZOER-QWHCGFSZSA-N -1 3 351.421 0.217 10 0 FCAEHM CC(C)OCCS(=O)(=O)[N-]CC(=O)OCc1nnc(C2CC2)s1 ZINC000859580097 671837732 /nfs/dbraw/zinc/83/77/32/671837732.db2.gz YUDUICPIZRYQJJ-UHFFFAOYSA-N -1 3 363.461 0.803 10 0 FCAEHM CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)c1cc(=O)[n-]cn1)CCO2 ZINC000861824356 671999648 /nfs/dbraw/zinc/99/96/48/671999648.db2.gz CFZMRDQGHHMBQJ-UHFFFAOYSA-N -1 3 350.375 0.644 10 0 FCAEHM O=C([N-]C[C@H]1CC(C(F)(F)F)=NO1)C(F)(F)C(=O)N1CCOCC1 ZINC000866059951 672261971 /nfs/dbraw/zinc/26/19/71/672261971.db2.gz XGGJQTYNNLNUCW-SSDOTTSWSA-N -1 3 359.251 0.304 10 0 FCAEHM COCCC[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866379885 672269755 /nfs/dbraw/zinc/26/97/55/672269755.db2.gz UZNVYRAYNGPBOX-UHFFFAOYSA-N -1 3 359.189 0.340 10 0 FCAEHM COCCCC[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866501855 672278574 /nfs/dbraw/zinc/27/85/74/672278574.db2.gz BSRQHDLNLZPTLQ-UHFFFAOYSA-N -1 3 373.216 0.730 10 0 FCAEHM C[C@@H](CN1CCCC1=O)[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000866557242 672282352 /nfs/dbraw/zinc/28/23/52/672282352.db2.gz KDFLCRBBSOYADG-QMMMGPOBSA-N -1 3 365.253 0.472 10 0 FCAEHM CO[C@@H](C)CC[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866706975 672289906 /nfs/dbraw/zinc/28/99/06/672289906.db2.gz FCOIREYGPYIVSC-ZETCQYMHSA-N -1 3 373.216 0.728 10 0 FCAEHM CC[S@](C)(=O)=NS(=O)(=O)[N-]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000866708100 672290325 /nfs/dbraw/zinc/29/03/25/672290325.db2.gz CWTFUFVQZRRCML-LXGOIASLSA-N -1 3 351.416 0.823 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-][C@H]2CCCOC2)c1I ZINC000866745503 672295870 /nfs/dbraw/zinc/29/58/70/672295870.db2.gz YFGIJHJDHWYDOK-ZETCQYMHSA-N -1 3 371.200 0.482 10 0 FCAEHM C[C@H](CN1CCN(C)CC1)[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1 ZINC000866746998 672296455 /nfs/dbraw/zinc/29/64/55/672296455.db2.gz NGHWYIBVZUVNGF-FATZIPQQSA-N -1 3 374.532 0.614 10 0 FCAEHM CC[S@](C)(=O)=NS(=O)(=O)[N-]C1CCN(C[C@H]2CCCO2)CC1 ZINC000866794202 672306960 /nfs/dbraw/zinc/30/69/60/672306960.db2.gz UKFZTCJZDHWYJQ-ASSNKEHSSA-N -1 3 353.510 0.582 10 0 FCAEHM CC[C@@H](COC)[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866823499 672313671 /nfs/dbraw/zinc/31/36/71/672313671.db2.gz NSFSEHGOAGXWIL-ZETCQYMHSA-N -1 3 373.216 0.728 10 0 FCAEHM Cn1cnc(CCC[N-]S(=O)(=O)c2cnn(C)c2Br)n1 ZINC000867445657 672316739 /nfs/dbraw/zinc/31/67/39/672316739.db2.gz CCHMKOZMSZGYRQ-UHFFFAOYSA-N -1 3 363.241 0.222 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCCN(C(=O)C(F)(F)F)C2)nn1 ZINC000867487188 672323985 /nfs/dbraw/zinc/32/39/85/672323985.db2.gz DFYCCJZNUWZEKB-SNVBAGLBSA-N -1 3 366.365 0.864 10 0 FCAEHM O=C(N1CCC[C@H](C[N-]S(=O)(=O)c2c[nH]c(=O)s2)C1)C(F)(F)F ZINC000867487890 672324360 /nfs/dbraw/zinc/32/43/60/672324360.db2.gz VEPATZXZYYCIEU-SSDOTTSWSA-N -1 3 373.378 0.928 10 0 FCAEHM COC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867537246 672333466 /nfs/dbraw/zinc/33/34/66/672333466.db2.gz FLSLWTNDXAEAMD-SFYZADRCSA-N -1 3 366.237 0.803 10 0 FCAEHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H]2CCCN(CCF)C2)s1 ZINC000867713111 672358030 /nfs/dbraw/zinc/35/80/30/672358030.db2.gz MIXOIBFAOVZOFX-JTQLQIEISA-N -1 3 350.441 0.814 10 0 FCAEHM Cc1cc(S(=O)(=O)[N-]C[C@@]23COC(=O)N2CCOC3)c(F)cc1F ZINC000867748864 672362558 /nfs/dbraw/zinc/36/25/58/672362558.db2.gz JSXVYGANOYPYSB-CQSZACIVSA-N -1 3 362.354 0.773 10 0 FCAEHM COC(=O)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000867774427 672366110 /nfs/dbraw/zinc/36/61/10/672366110.db2.gz WDAKJCLIKQPPRS-PSASIEDQSA-N -1 3 368.333 0.957 10 0 FCAEHM CC(C)(O)CN1CC[C@H](NC(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)C1 ZINC000869784672 672451226 /nfs/dbraw/zinc/45/12/26/672451226.db2.gz YBLSLGDAACYUKA-LBPRGKRZSA-N -1 3 373.450 0.772 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]C[C@]1(C(F)(F)F)CCCN1)[C@@H]1CCOC1 ZINC000923685737 673466635 /nfs/dbraw/zinc/46/66/35/673466635.db2.gz NKIAKCPUNFUBJH-UTUOFQBUSA-N -1 3 360.398 0.642 10 0 FCAEHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H]1CNOC1 ZINC000923728315 673738951 /nfs/dbraw/zinc/73/89/51/673738951.db2.gz NJERKOJWJJZILG-LURJTMIESA-N -1 3 355.185 0.779 10 0 FCAEHM CC[C@@H](CNC(=O)C(=O)N(CCN(C)C)Cc1cccs1)C(=O)[O-] ZINC000927956080 673893804 /nfs/dbraw/zinc/89/38/04/673893804.db2.gz MSVQMRNHSMADDN-LBPRGKRZSA-N -1 3 355.460 0.865 10 0 FCAEHM CC[C@@H](CNC(=O)C(=O)N(CCN(C)C)Cc1ccsc1)C(=O)[O-] ZINC000927956513 673893949 /nfs/dbraw/zinc/89/39/49/673893949.db2.gz DGTVKPUYLNZYDK-ZDUSSCGKSA-N -1 3 355.460 0.865 10 0 FCAEHM CCC[C@@H]1C[C@H]1C(=O)NCCCN1CCN(Cc2nc(=O)n(C)[n-]2)CC1 ZINC001266271108 1167808619 /nfs/dbraw/zinc/80/86/19/1167808619.db2.gz FRBRFKZWTUKRGU-HUUCEWRRSA-N -1 3 364.494 0.169 10 0 FCAEHM CON(C)C(=O)[C@H](C)NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001687203846 1169975967 /nfs/dbraw/zinc/97/59/67/1169975967.db2.gz NJNDNDSTUVWDJY-LBPRGKRZSA-N -1 3 364.402 0.268 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1CCNC(=O)Cn1cncn1 ZINC001719774797 1179963374 /nfs/dbraw/zinc/96/33/74/1179963374.db2.gz XXDDVAQSDKYGIH-ZIAGYGMSSA-N -1 3 357.414 0.898 10 0 FCAEHM CC(=O)N(C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3n[n-]nc31)C2 ZINC001719829766 1186135480 /nfs/dbraw/zinc/13/54/80/1186135480.db2.gz ZQICXPWYNRBGLQ-UGFHNGPFSA-N -1 3 370.413 0.298 10 0 FCAEHM O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCCC[C@@H]1CCNCc1n[nH]c(=O)[n-]1 ZINC001482454283 1189560792 /nfs/dbraw/zinc/56/07/92/1189560792.db2.gz QTOYWWDONHKCGZ-ULSDXFBPSA-N -1 3 361.446 0.795 10 0 FCAEHM CCOC(=O)c1ccc(NC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)c([O-])c1 ZINC000760208891 1191101673 /nfs/dbraw/zinc/10/16/73/1191101673.db2.gz IKXLQDVVFQFKAZ-VURMDHGXSA-N -1 3 373.365 0.618 10 0 FCAEHM O=C(CN1CCN(Cc2ccccc2)CC1)NCCCc1c[n-][nH]c1=O ZINC000898732377 1194071766 /nfs/dbraw/zinc/07/17/66/1194071766.db2.gz RAEQTNZVEGWOKV-KRWDZBQOSA-N -1 3 357.458 0.432 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000898735567 1194072728 /nfs/dbraw/zinc/07/27/28/1194072728.db2.gz WGMAUTAWIXTJAU-MNOVXSKESA-N -1 3 364.352 0.946 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)CNC(=O)CC3CCCC3)CC2)n1 ZINC000899500873 1194165170 /nfs/dbraw/zinc/16/51/70/1194165170.db2.gz NPCMJCJLYNOUHS-UHFFFAOYSA-N -1 3 361.446 0.836 10 0 FCAEHM CN1CCN(c2cccc(C(=O)N3CCSC[C@H]3c3nnn[n-]3)n2)CC1 ZINC000907477830 1195695991 /nfs/dbraw/zinc/69/59/91/1195695991.db2.gz UZZJOJKHHPYSAF-ZDUSSCGKSA-N -1 3 374.474 0.277 10 0 FCAEHM CN1CCN(c2cccc(C(=O)N3CCSC[C@H]3c3nn[n-]n3)n2)CC1 ZINC000907477830 1195695997 /nfs/dbraw/zinc/69/59/97/1195695997.db2.gz UZZJOJKHHPYSAF-ZDUSSCGKSA-N -1 3 374.474 0.277 10 0 FCAEHM C[C@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)N(C)CC(=O)NC1CC1 ZINC000913302166 1196418905 /nfs/dbraw/zinc/41/89/05/1196418905.db2.gz PXCOUONEKIWQRP-JTQLQIEISA-N -1 3 360.370 0.952 10 0 FCAEHM C[C@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)N(C)CC(=O)NC1CC1 ZINC000913302166 1196418908 /nfs/dbraw/zinc/41/89/08/1196418908.db2.gz PXCOUONEKIWQRP-JTQLQIEISA-N -1 3 360.370 0.952 10 0 FCAEHM Cn1nnc2c1nccc2C(=O)[N-]c1ncn(CC(=O)OC(C)(C)C)n1 ZINC000592654942 1196573214 /nfs/dbraw/zinc/57/32/14/1196573214.db2.gz QTDZDRHEMASGTE-UHFFFAOYSA-N -1 3 358.362 0.549 10 0 FCAEHM O=C(COC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])N1CCCC1=O ZINC000046333757 1196611658 /nfs/dbraw/zinc/61/16/58/1196611658.db2.gz FEZKLLXOHKLYCN-ZDUSSCGKSA-N -1 3 360.366 0.689 10 0 FCAEHM O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCCCc1c[n-][nH]c1=O ZINC001168403383 1196694324 /nfs/dbraw/zinc/69/43/24/1196694324.db2.gz HXIHXAPZQREPTN-NSHDSACASA-N -1 3 357.370 0.120 10 0 FCAEHM COc1ccc(CN2C[C@H](C(=O)NCCCc3c[n-][nH]c3=O)CC2=O)cc1 ZINC001168403396 1196696310 /nfs/dbraw/zinc/69/63/10/1196696310.db2.gz HYHATNUMSJYYAD-LSDHHAIUSA-N -1 3 372.425 0.672 10 0 FCAEHM CCOC(=O)[C@@H](NC(=O)c1cc2c(cc1[O-])OCO2)[C@@H](O)c1ccncc1 ZINC001169735774 1199089179 /nfs/dbraw/zinc/08/91/79/1199089179.db2.gz OACDPNNSFSECRT-HOTGVXAUSA-N -1 3 374.349 0.911 10 0 FCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1nnc2ccccc2c1[O-] ZINC000787662301 1200897176 /nfs/dbraw/zinc/89/71/76/1200897176.db2.gz PIEIKEWSUFOBPD-NXEZZACHSA-N -1 3 360.370 0.522 10 0 FCAEHM C[C@H](NC(=O)c1cc(=O)[n-]c(N(C)C)n1)[C@H](O)c1ccc2c(c1)OCO2 ZINC000787746985 1200906377 /nfs/dbraw/zinc/90/63/77/1200906377.db2.gz KUMPQOCSPAOGFF-VFZGTOFNSA-N -1 3 360.370 0.829 10 0 FCAEHM Cn1ncc(CCCNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])n1 ZINC000817953059 1203127881 /nfs/dbraw/zinc/12/78/81/1203127881.db2.gz XURHBYZSFAKYAZ-OAHLLOKOSA-N -1 3 357.414 0.874 10 0 FCAEHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc(N2CCOCC2)ncn1 ZINC001136497277 1203216253 /nfs/dbraw/zinc/21/62/53/1203216253.db2.gz DRFMMMZVSAJOBM-UHFFFAOYSA-N -1 3 352.358 0.746 10 0 FCAEHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc(N2CCOCC2)ncn1 ZINC001136497277 1203216258 /nfs/dbraw/zinc/21/62/58/1203216258.db2.gz DRFMMMZVSAJOBM-UHFFFAOYSA-N -1 3 352.358 0.746 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 ZINC001144226809 1204437937 /nfs/dbraw/zinc/43/79/37/1204437937.db2.gz OTMMWICQQSKVMK-AWEZNQCLSA-N -1 3 373.388 0.932 10 0 FCAEHM CCON(C)C(=O)CNC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000845568517 1204529339 /nfs/dbraw/zinc/52/93/39/1204529339.db2.gz HDUZSRGCTXGUSW-UHFFFAOYSA-N -1 3 364.402 0.270 10 0 FCAEHM COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(Cc2cc(=O)n3nc(N)[n-]c3n2)C1 ZINC001171931459 1206253878 /nfs/dbraw/zinc/25/38/78/1206253878.db2.gz NBYODELHLCFIEU-JGVFFNPUSA-N -1 3 374.323 0.173 10 0 FCAEHM CC1(C)NC(=O)N(CCCC(=O)NCc2cc(=O)[n-]c(C3CC3)n2)C1=O ZINC001177645179 1206344470 /nfs/dbraw/zinc/34/44/70/1206344470.db2.gz RGOPCWNWTVCWEI-UHFFFAOYSA-N -1 3 361.402 0.786 10 0 FCAEHM Cc1nc(C)c(CNC(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)[nH]1 ZINC001178441500 1206356429 /nfs/dbraw/zinc/35/64/29/1206356429.db2.gz HWJMAVKUNJWBDC-UHFFFAOYSA-N -1 3 374.445 0.916 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NCCO[C@H]1CCOC1 ZINC001178645340 1206360796 /nfs/dbraw/zinc/36/07/96/1206360796.db2.gz OQDLOQKWDRKJSN-HNNXBMFYSA-N -1 3 372.425 0.995 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccc(N2CCOCC2)nc1 ZINC001180027171 1206387731 /nfs/dbraw/zinc/38/77/31/1206387731.db2.gz FTNDVPPZGYUNHU-CQSZACIVSA-N -1 3 370.413 0.423 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)[C@H]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC001180029056 1206387754 /nfs/dbraw/zinc/38/77/54/1206387754.db2.gz YABGMCFWDALFPS-RFGFWPKPSA-N -1 3 359.430 0.572 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccc2c(c1)NC(=O)CO2 ZINC001180027311 1206387770 /nfs/dbraw/zinc/38/77/70/1206387770.db2.gz JFULSNBTQCTOHZ-LLVKDONJSA-N -1 3 355.354 0.522 10 0 FCAEHM Cc1nn(CC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)c2ncccc12 ZINC001180028971 1206388138 /nfs/dbraw/zinc/38/81/38/1206388138.db2.gz XDKDGTXKHHOMCW-GFCCVEGCSA-N -1 3 353.386 0.630 10 0 FCAEHM CNC(=O)c1cccc(NC(=O)[C@@H](C)N2CCC(Cc3nn[n-]n3)CC2)c1 ZINC001197451888 1208168278 /nfs/dbraw/zinc/16/82/78/1208168278.db2.gz ZEUWRHFWTTXGAK-GFCCVEGCSA-N -1 3 371.445 0.841 10 0 FCAEHM O=C(N[C@@H](CO)CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)c1cccc2n[n-]nc21 ZINC001488007072 1208413069 /nfs/dbraw/zinc/41/30/69/1208413069.db2.gz DGGNOAJFHWATDZ-QVHKTLOISA-N -1 3 369.425 0.767 10 0 FCAEHM COC[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001489462018 1208846379 /nfs/dbraw/zinc/84/63/79/1208846379.db2.gz FLUQKSMLINKKJP-JTNHKYCSSA-N -1 3 362.430 0.919 10 0 FCAEHM CO[C@@H](C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C)C1CCCC1 ZINC001489480835 1208858628 /nfs/dbraw/zinc/85/86/28/1208858628.db2.gz KEXOTKMCLOVAIY-KCPJHIHWSA-N -1 3 362.430 0.964 10 0 FCAEHM CC(C)COCCC(=O)N1CC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)[C@@H]2C1 ZINC001489656397 1209042959 /nfs/dbraw/zinc/04/29/59/1209042959.db2.gz LORIEMYKUGNFEU-UKRRQHHQSA-N -1 3 362.430 0.918 10 0 FCAEHM CCC(=O)N[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cnc[n-]c1=O ZINC001489695844 1209091720 /nfs/dbraw/zinc/09/17/20/1209091720.db2.gz MXNKHMBMQIATRX-RAIGVLPGSA-N -1 3 363.418 0.254 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2ccccc2[O-])CCN1C(=O)C1(NC(N)=O)CC1 ZINC001489983990 1209195943 /nfs/dbraw/zinc/19/59/43/1209195943.db2.gz HALIWTJRIZRZBP-QWHCGFSZSA-N -1 3 360.414 0.702 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)CCn2cnccc2=O)CCN1C(=O)c1ccccc1[O-] ZINC001490125855 1209267316 /nfs/dbraw/zinc/26/73/16/1209267316.db2.gz BGKGPNATGZRSAS-HIFRSBDPSA-N -1 3 370.409 0.758 10 0 FCAEHM CCOCC(=O)N1C[C@@H](CNC(=O)CCc2c(C)nc[n-]c2=O)[C@H](C)C1 ZINC001490329287 1209320560 /nfs/dbraw/zinc/32/05/60/1209320560.db2.gz OARGLRWWYOPKKL-TZMCWYRMSA-N -1 3 364.446 0.670 10 0 FCAEHM Cn1[n-]c(CN(CCCNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C2CC2)nc1=O ZINC001490378901 1209329574 /nfs/dbraw/zinc/32/95/74/1209329574.db2.gz QFRGYLSCJUJNRD-DUVNUKRYSA-N -1 3 363.462 0.394 10 0 FCAEHM CN1NN=C2C1=NCC[C@H]2C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000854526767 1209633036 /nfs/dbraw/zinc/63/30/36/1209633036.db2.gz OODAWXNTNQMMQQ-VHSXEESVSA-N -1 3 374.367 0.128 10 0 FCAEHM CN1C[C@H](CCNC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)CC1=O ZINC000924730122 1211478298 /nfs/dbraw/zinc/47/82/98/1211478298.db2.gz MZYFUPZICKOAIH-CQSZACIVSA-N -1 3 374.441 0.728 10 0 FCAEHM CC[C@H](CNC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1)C(=O)[O-] ZINC000927943718 1211593721 /nfs/dbraw/zinc/59/37/21/1211593721.db2.gz VECKGFRXLNOJQT-CYBMUJFWSA-N -1 3 361.442 0.429 10 0 FCAEHM CS(=O)(=O)c1nc2cc(-c3cnc(N4CCC(O)CC4)nc3)cnc2[n-]1 ZINC000629763602 1212576537 /nfs/dbraw/zinc/57/65/37/1212576537.db2.gz SPDJJEAKNJNXBJ-UHFFFAOYSA-N -1 3 374.426 0.780 10 0 FCAEHM CS(=O)(=O)c1nc2ncc(-c3cnc(N4CCC(O)CC4)nc3)cc2[n-]1 ZINC000629763602 1212576540 /nfs/dbraw/zinc/57/65/40/1212576540.db2.gz SPDJJEAKNJNXBJ-UHFFFAOYSA-N -1 3 374.426 0.780 10 0 FCAEHM O=C(NCCNC(=O)[C@H]1CC(c2ccccn2)=NO1)c1ccc([O-])cc1 ZINC001137463401 1216641917 /nfs/dbraw/zinc/64/19/17/1216641917.db2.gz IYSGJUPWTGCCQP-MRXNPFEDSA-N -1 3 354.366 0.826 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)NCc2cc(=O)c(O)cn2C)c([O-])c1 ZINC000755456703 1220139550 /nfs/dbraw/zinc/13/95/50/1220139550.db2.gz YQAQDKWJJMHVAA-UHFFFAOYSA-N -1 3 359.382 0.541 10 0 FCAEHM CN(C)C(=O)Cn1cc(C(=O)OCc2noc(-c3ccccc3[O-])n2)nn1 ZINC000783158399 1221207620 /nfs/dbraw/zinc/20/76/20/1221207620.db2.gz SZHPVYKJIFDBDT-UHFFFAOYSA-N -1 3 372.341 0.479 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000799033005 1221299609 /nfs/dbraw/zinc/29/96/09/1221299609.db2.gz ZBPYDHFSOTZHFE-VHDGCEQUSA-N -1 3 373.409 0.954 10 0 FCAEHM COC(=O)C1CC2(C1)CN(CC(=O)N1C[C@@H](C)O[C@@H](C)C1)C[C@@H]2C(=O)[O-] ZINC001119607055 1221939852 /nfs/dbraw/zinc/93/98/52/1221939852.db2.gz WEWIZFGFHKOIDD-ZPBACHKLSA-N -1 3 368.430 0.208 10 0 FCAEHM O=C(c1ccc([O-])cc1)N1CCN(c2nnnn2C[C@@H]2CCCO2)CC1 ZINC001119646841 1221944516 /nfs/dbraw/zinc/94/45/16/1221944516.db2.gz CKISBWFEQMWYAF-HNNXBMFYSA-N -1 3 358.402 0.520 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CC[C@H](NC(=O)[C@@H]3CCCN(C4CC4)C3=O)C2)n1 ZINC001123915052 1222366524 /nfs/dbraw/zinc/36/65/24/1222366524.db2.gz RYXOYWXCWKDYBW-JSGCOSHPSA-N -1 3 359.430 0.587 10 0 FCAEHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)[C@H]1C[C@H](O)CN1c1ccncn1 ZINC001142020079 1222803045 /nfs/dbraw/zinc/80/30/45/1222803045.db2.gz WUZYYAJQEVWWFC-GXFFZTMASA-N -1 3 370.348 0.374 10 0 FCAEHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)[C@H]1C[C@H](O)CN1c1ccncn1 ZINC001142020079 1222803048 /nfs/dbraw/zinc/80/30/48/1222803048.db2.gz WUZYYAJQEVWWFC-GXFFZTMASA-N -1 3 370.348 0.374 10 0 FCAEHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCN(CCO)C[C@@H]1C ZINC001142103144 1222806914 /nfs/dbraw/zinc/80/69/14/1222806914.db2.gz APIMNQXYHUDIQS-ZDUSSCGKSA-N -1 3 371.441 0.620 10 0 FCAEHM COCCN1CCC[C@@H]1CNC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000842612467 1222849802 /nfs/dbraw/zinc/84/98/02/1222849802.db2.gz XPZMPGICJRQCGK-WBVHZDCISA-N -1 3 374.441 0.933 10 0 FCAEHM Cn1nccc1[C@@H]1C[C@H]1C(=O)N1CCCN(C(=O)c2cnc[n-]c2=O)CC1 ZINC000941422055 1246616946 /nfs/dbraw/zinc/61/69/46/1246616946.db2.gz UKLQVOQCMUKGGQ-CHWSQXEVSA-N -1 3 370.413 0.394 10 0 FCAEHM C[C@@H]1CCN(C(=O)c2cnc[n-]c2=O)[C@H](CNC(=O)C[C@H]2CCOC2)C1 ZINC001515315505 1265500264 /nfs/dbraw/zinc/50/02/64/1265500264.db2.gz KQEITCAQJCSHFQ-MCIONIFRSA-N -1 3 362.430 0.966 10 0 FCAEHM CCN1CCN(c2nnc(-c3cnc[n-]c3=O)n2C[C@@H]2CCOC2)CC1 ZINC001519687988 1265751449 /nfs/dbraw/zinc/75/14/49/1265751449.db2.gz RORNOBPUCVBGBB-ZDUSSCGKSA-N -1 3 359.434 0.619 10 0 FCAEHM CCO[C@H](C)C(=O)N[C@H]1CCN(C(=O)Cc2c(C)nc(C)[n-]c2=O)[C@@H]1C ZINC001520528699 1265930411 /nfs/dbraw/zinc/93/04/11/1265930411.db2.gz BMCGVSUEOQWGEF-JMSVASOKSA-N -1 3 364.446 0.872 10 0 FCAEHM CCNC(=O)CCC(=O)N[C@H]1CCN(C(=O)c2c(C)nc[n-]c2=O)[C@@H]1C ZINC001520587600 1265941266 /nfs/dbraw/zinc/94/12/66/1265941266.db2.gz RLJRMIUBVXRPRK-NEPJUHHUSA-N -1 3 363.418 0.126 10 0 FCAEHM Cc1nc(C)c(CC(=O)N2CC[C@H](NC(=O)[C@H](O)C(C)C)[C@H]2C)c(=O)[n-]1 ZINC001520674870 1265964859 /nfs/dbraw/zinc/96/48/59/1265964859.db2.gz NHMIZPMBJMTDNY-DIOULYMOSA-N -1 3 364.446 0.464 10 0 FCAEHM COc1cnc(C2(NC(=O)[C@@H](C)N3CCN(C)CC3)CCCC2)[n-]c1=O ZINC001520784030 1265999338 /nfs/dbraw/zinc/99/93/38/1265999338.db2.gz WBYPMAQLGQVZOL-CYBMUJFWSA-N -1 3 363.462 0.712 10 0 FCAEHM CC(C)COCCC(=O)N1CC[C@H](NC(=O)c2cnc[n-]c2=O)[C@H]1C ZINC001520809760 1266007353 /nfs/dbraw/zinc/00/73/53/1266007353.db2.gz YVYMXXQZSQQPJK-OCCSQVGLSA-N -1 3 350.419 0.964 10 0 FCAEHM CC(=O)N(CC(=O)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@H]1C)c1ccccc1 ZINC001520858954 1266023765 /nfs/dbraw/zinc/02/37/65/1266023765.db2.gz SVBPEEMJOLEDHJ-DOMZBBRYSA-N -1 3 370.413 0.577 10 0 FCAEHM COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(CN(C)C)cc2)C1 ZINC001335448932 1259667287 /nfs/dbraw/zinc/66/72/87/1259667287.db2.gz OGBKAFDUIGYJSB-INIZCTEOSA-N -1 3 356.444 0.860 10 0 FCAEHM O=C(N[C@H](CO)Cc1ccccc1)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001251450767 1259749090 /nfs/dbraw/zinc/74/90/90/1259749090.db2.gz GFMLUZVNIKEFRA-CABCVRRESA-N -1 3 357.414 0.664 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cccnn2)C[C@H]1CCNC(=O)c1cnc[n-]c1=O ZINC001522005399 1266293448 /nfs/dbraw/zinc/29/34/48/1266293448.db2.gz ZYLBCMHGKBAWAM-VXGBXAGGSA-N -1 3 356.386 0.500 10 0 FCAEHM NC(=O)CC1CC(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC001255260207 1259908805 /nfs/dbraw/zinc/90/88/05/1259908805.db2.gz AZZSDWPSGKRIIA-UHFFFAOYSA-N -1 3 360.414 0.514 10 0 FCAEHM COC(=O)[C@]1(N2CCN(Cc3cc(=O)[n-]c(C4CC4)n3)CC2)CCOC1 ZINC001261801047 1260191045 /nfs/dbraw/zinc/19/10/45/1260191045.db2.gz CGYAYLOCNMVZLM-SFHVURJKSA-N -1 3 362.430 0.509 10 0 FCAEHM CC(C)CCC(=O)NCc1nc(CNC(=O)[C@]23C[C@H]2COC3)cc(=O)[n-]1 ZINC001282229117 1261387083 /nfs/dbraw/zinc/38/70/83/1261387083.db2.gz NQJFHPHTJGTYFR-SGTLLEGYSA-N -1 3 362.430 0.887 10 0 FCAEHM O=C(Cc1cnoc1)NCc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@H]2C2CC2)n1 ZINC001282236030 1261387894 /nfs/dbraw/zinc/38/78/94/1261387894.db2.gz YDPAINJRBAOSKG-UONOGXRCSA-N -1 3 371.397 0.691 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NCc1cc(=O)[n-]c(CNC(=O)CC2(O)CCC2)n1 ZINC001282232848 1261388197 /nfs/dbraw/zinc/38/81/97/1261388197.db2.gz JCCYSVIMVYYRQI-DGCLKSJQSA-N -1 3 362.430 0.766 10 0 FCAEHM CN(CCOCCN(C)C(=O)[C@]12C[C@H]1CCC2)C(=O)c1cnc[n-]c1=O ZINC001282312029 1261411324 /nfs/dbraw/zinc/41/13/24/1261411324.db2.gz WSDUQLVDLBKEGD-FZKQIMNGSA-N -1 3 362.430 0.919 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)c2ccccc2[O-])CCN1C(=O)CCCCNC(N)=O ZINC001282325261 1261413209 /nfs/dbraw/zinc/41/32/09/1261413209.db2.gz YRWFIIQFRGRSHL-OCCSQVGLSA-N -1 3 362.430 0.950 10 0 FCAEHM CO[C@@H](C)CC(=O)N1CC[C@H](NC(=O)CCc2c(C)nc[n-]c2=O)[C@H]1C ZINC001282364362 1261429783 /nfs/dbraw/zinc/42/97/83/1261429783.db2.gz SDRNCKYVDBTRGW-LNSITVRQSA-N -1 3 364.446 0.954 10 0 FCAEHM COC(=O)c1cccn(CC(=O)Nc2cc(C(=O)OC(C)C)n[n-]2)c1=O ZINC001472093503 1261435642 /nfs/dbraw/zinc/43/56/42/1261435642.db2.gz PYYXSZSQOWUMBY-UHFFFAOYSA-N -1 3 362.342 0.562 10 0 FCAEHM COC(=O)c1cccn(CC(=O)Nc2cc(C(=O)OC(C)C)[n-]n2)c1=O ZINC001472093503 1261435644 /nfs/dbraw/zinc/43/56/44/1261435644.db2.gz PYYXSZSQOWUMBY-UHFFFAOYSA-N -1 3 362.342 0.562 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)CCc2ncccn2)CCN1C(=O)c1cnc[n-]c1=O ZINC001282381311 1261438170 /nfs/dbraw/zinc/43/81/70/1261438170.db2.gz UWIILRFEUCAJCD-YPMHNXCESA-N -1 3 356.386 0.324 10 0 FCAEHM O=C(CN1CCNC(=O)C1)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001472242535 1261454236 /nfs/dbraw/zinc/45/42/36/1261454236.db2.gz PBCHSYAGCPYJFT-UHFFFAOYSA-N -1 3 357.370 0.137 10 0 FCAEHM O=C(CN1CCNC(=O)C1)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001472242535 1261454241 /nfs/dbraw/zinc/45/42/41/1261454241.db2.gz PBCHSYAGCPYJFT-UHFFFAOYSA-N -1 3 357.370 0.137 10 0 FCAEHM CO[C@H]1CCn2cc(C(=O)N[C@@H]3CCN(c4cc(=O)[n-]cn4)C3)nc2C1 ZINC001472254060 1261455210 /nfs/dbraw/zinc/45/52/10/1261455210.db2.gz IFTRZLSGIAYGPP-NEPJUHHUSA-N -1 3 358.402 0.349 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CNC(=O)CC[C@H]1CCCO1 ZINC001282461370 1261465747 /nfs/dbraw/zinc/46/57/47/1261465747.db2.gz NLWDKEXDXQEZIG-MGPQQGTHSA-N -1 3 362.430 0.966 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)c2cccnc2-c2cnn(C)c2)[n-]1 ZINC001472546742 1261474067 /nfs/dbraw/zinc/47/40/67/1261474067.db2.gz XOVQZCWYNXXIOV-UHFFFAOYSA-N -1 3 355.358 0.707 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N[C@@H](c1ncccn1)C1CC1 ZINC001472622066 1261479311 /nfs/dbraw/zinc/47/93/11/1261479311.db2.gz GQZFYNIBXSXEGM-CYBMUJFWSA-N -1 3 365.415 0.627 10 0 FCAEHM COC(=O)c1ccccc1NC(=O)CN1CCC(Cc2nnn[n-]2)CC1 ZINC001473764668 1261495585 /nfs/dbraw/zinc/49/55/85/1261495585.db2.gz POYALHGEPVKOQP-UHFFFAOYSA-N -1 3 358.402 0.880 10 0 FCAEHM COC(=O)c1ccccc1NC(=O)CN1CCC(Cc2nn[n-]n2)CC1 ZINC001473764668 1261495590 /nfs/dbraw/zinc/49/55/90/1261495590.db2.gz POYALHGEPVKOQP-UHFFFAOYSA-N -1 3 358.402 0.880 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CCNC(=O)Cn1cccn1 ZINC001282520977 1261502259 /nfs/dbraw/zinc/50/22/59/1261502259.db2.gz FYHGWSSGGMZJOF-CHWSQXEVSA-N -1 3 358.402 0.293 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@H]1CCN(C(=O)[C@H]2CCCO2)[C@@H]1C ZINC001345479826 1261718860 /nfs/dbraw/zinc/71/88/60/1261718860.db2.gz VBLKWSHRNGUQCE-VHDGCEQUSA-N -1 3 362.430 0.708 10 0 FCAEHM O=C(N[C@H](CO)CNC(=O)[C@@H]1C[C@H]1C1CCC1)c1cccc2n[n-]nc21 ZINC001287786982 1261976896 /nfs/dbraw/zinc/97/68/96/1261976896.db2.gz OUGZCPKIRMBMJQ-FPMFFAJLSA-N -1 3 357.414 0.601 10 0 FCAEHM O=C(Cc1cnn2ccccc12)NC[C@H]1CC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC001290163142 1262392794 /nfs/dbraw/zinc/39/27/94/1262392794.db2.gz ISLOYOFJDGKRNR-GXTWGEPZSA-N -1 3 367.413 0.710 10 0 FCAEHM CC(C)CCC(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@]23C[C@H]2COC3)n1 ZINC001290364231 1262433224 /nfs/dbraw/zinc/43/32/24/1262433224.db2.gz JFFCJVNSTXVYHZ-SGTLLEGYSA-N -1 3 362.430 0.887 10 0 FCAEHM CC(C)=CC(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)n1 ZINC001290364389 1262433447 /nfs/dbraw/zinc/43/34/47/1262433447.db2.gz NEVHXNNHCNRIAC-MTVAPTMQSA-N -1 3 372.425 0.804 10 0 FCAEHM CCO[C@@H](CC)C(=O)N1C[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@]2(C)C1 ZINC001290830026 1262516207 /nfs/dbraw/zinc/51/62/07/1262516207.db2.gz BYIDDSGLZHCHHP-XAYKYTGQSA-N -1 3 362.430 0.918 10 0 FCAEHM CO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1c(C)nc(C)[n-]c1=O ZINC001291805095 1262592932 /nfs/dbraw/zinc/59/29/32/1262592932.db2.gz BSPDHPXOWJMZQJ-DWZYQQQCSA-N -1 3 362.430 0.625 10 0 FCAEHM NC(=O)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O ZINC001292006335 1262629717 /nfs/dbraw/zinc/62/97/17/1262629717.db2.gz IEIRAVCZHOAGOS-WXHSDQCUSA-N -1 3 361.402 0.090 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C(=Cc1ccc(F)cc1)n1nnnc1C ZINC001292969522 1262706741 /nfs/dbraw/zinc/70/67/41/1262706741.db2.gz KOQULTSTRDRFBF-UWZYDCLUSA-N -1 3 371.376 0.747 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C(=Cc1ccc(F)cc1)n1nnnc1C ZINC001292969520 1262706956 /nfs/dbraw/zinc/70/69/56/1262706956.db2.gz KOQULTSTRDRFBF-AHSSXEFNSA-N -1 3 371.376 0.747 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C(C)(C)N1C(=O)c2ccccc2C1=O ZINC001292970166 1262707015 /nfs/dbraw/zinc/70/70/15/1262707015.db2.gz VEHHHCGOHMDOQQ-LLVKDONJSA-N -1 3 356.382 0.689 10 0 FCAEHM O=C(CCn1cc[n-]c(=O)c1=O)N1CCc2nc[nH]c2[C@@H]1c1cccnc1 ZINC001299913842 1262980420 /nfs/dbraw/zinc/98/04/20/1262980420.db2.gz COMXTSMMZGLQCL-INIZCTEOSA-N -1 3 366.381 0.219 10 0 FCAEHM C[C@H](C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1)N1C(=O)NC2(CCCC2)C1=O ZINC001300193353 1262985269 /nfs/dbraw/zinc/98/52/69/1262985269.db2.gz JSUVGPPJCBLJGZ-GHMZBOCLSA-N -1 3 361.402 0.684 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCN(Cc3nc[nH]n3)CC2)c1 ZINC001300326287 1262987251 /nfs/dbraw/zinc/98/72/51/1262987251.db2.gz LJRCRMOTERNZKV-UHFFFAOYSA-N -1 3 356.386 0.593 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CCC(Cn2cncn2)CC1 ZINC001479507214 1263234028 /nfs/dbraw/zinc/23/40/28/1263234028.db2.gz IHCNDFXQWRUTRP-AWEZNQCLSA-N -1 3 372.433 0.474 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CCN(c2cccnn2)CC1 ZINC001479506826 1263234046 /nfs/dbraw/zinc/23/40/46/1263234046.db2.gz GBOGADSPNAWVQZ-CYBMUJFWSA-N -1 3 370.417 0.083 10 0 FCAEHM Cc1ccccc1C[C@H](CO)NC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001479509497 1263235475 /nfs/dbraw/zinc/23/54/75/1263235475.db2.gz SKFLUJKNBMSBHP-HZPDHXFCSA-N -1 3 371.441 0.972 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CCC[C@H](Cn2ccnn2)C1 ZINC001479509670 1263235891 /nfs/dbraw/zinc/23/58/91/1263235891.db2.gz UJLFLEOLMGYYDU-UONOGXRCSA-N -1 3 372.433 0.474 10 0 FCAEHM CN(CCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)Cc1cc(=O)n2[n-]ccc2n1 ZINC001316840419 1263491596 /nfs/dbraw/zinc/49/15/96/1263491596.db2.gz PBWZDVGCRCIRSC-JSEZXORMSA-N -1 3 371.441 0.384 10 0 FCAEHM CCN(CCCNC(=O)[C@@H]1C[C@H]1c1ccncc1)Cc1nc(=O)n(C)[n-]1 ZINC001316893419 1263493605 /nfs/dbraw/zinc/49/36/05/1263493605.db2.gz UUEXYCGZPRGRBA-LSDHHAIUSA-N -1 3 358.446 0.635 10 0 FCAEHM CCN(CCCNC(=O)c1ccccc1[O-])C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001492909648 1263682523 /nfs/dbraw/zinc/68/25/23/1263682523.db2.gz YBOZJDKSGDNYRQ-LSDHHAIUSA-N -1 3 363.414 0.394 10 0 FCAEHM CCN(CCCNC(=O)c1cnc[n-]c1=O)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001492968646 1263688303 /nfs/dbraw/zinc/68/83/03/1263688303.db2.gz CGTLCXGCQXWEKO-HIFRSBDPSA-N -1 3 362.430 0.966 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)N(C)[C@H](C)CNCc1cc(=O)n2[n-]ccc2n1 ZINC001319477906 1263697605 /nfs/dbraw/zinc/69/76/05/1263697605.db2.gz XGSPGXIDXAKNAI-XNJGSVPQSA-N -1 3 361.446 0.774 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001495654248 1263831707 /nfs/dbraw/zinc/83/17/07/1263831707.db2.gz ULCAOYRREDPPNY-YUSALJHKSA-N -1 3 358.402 0.642 10 0 FCAEHM CN(CCNC(=O)[C@]12C[C@H]1COC2)C(=O)c1nnc2ccccc2c1[O-] ZINC001496118779 1263857995 /nfs/dbraw/zinc/85/79/95/1263857995.db2.gz HPQRSLRQXHKFOK-VOJFVSQTSA-N -1 3 356.382 0.560 10 0 FCAEHM CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)NCc1nc(=O)n(C)[n-]1 ZINC001496584046 1263885891 /nfs/dbraw/zinc/88/58/91/1263885891.db2.gz SGMNJNULNKYTFH-ZNMIVQPWSA-N -1 3 365.478 0.402 10 0 FCAEHM C[C@H]1COCC[C@H]1C(=O)NCC(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC001320954286 1263886079 /nfs/dbraw/zinc/88/60/79/1263886079.db2.gz WUCCYXARWDBVDK-VHSXEESVSA-N -1 3 360.370 0.768 10 0 FCAEHM O=C(NCC=CCNC(=O)[C@]12C[C@H]1COC2)c1cc(=O)[n-]c(C2CC2)n1 ZINC001501888371 1264151232 /nfs/dbraw/zinc/15/12/32/1264151232.db2.gz OQZRBXFPKWRSFG-INZXFCHDSA-N -1 3 358.398 0.498 10 0 FCAEHM CN(CCOCCNCc1nc(=O)n(C)[n-]1)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001508183468 1264399850 /nfs/dbraw/zinc/39/98/50/1264399850.db2.gz KWCKNGQNFQRKJI-SOUVJXGZSA-N -1 3 365.478 0.499 10 0 FCAEHM C[C@@H](CN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NC(=O)c1cccc2n[n-]nc21 ZINC001510683896 1264508529 /nfs/dbraw/zinc/50/85/29/1264508529.db2.gz GOVGXCQDEFIRBA-BEZBWJFQSA-N -1 3 369.425 0.958 10 0 FCAEHM C[C@H](CCCCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)NC(=O)c1cn[n-]n1 ZINC001512688605 1264641608 /nfs/dbraw/zinc/64/16/08/1264641608.db2.gz OJPVLBLPDSXVNP-UKTARXLSSA-N -1 3 365.434 0.261 10 0 FCAEHM O=C(N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1O)C1(C(F)F)CCCC1 ZINC001513029130 1264870000 /nfs/dbraw/zinc/87/00/00/1264870000.db2.gz GVSDWCSLIORQHB-GHMZBOCLSA-N -1 3 370.356 0.309 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CN(C(=O)C[C@@H](C)CC(C)C)C[C@H]1O ZINC001513031112 1264872516 /nfs/dbraw/zinc/87/25/16/1264872516.db2.gz YQMGDKFSHOVIMS-IACUBPJLSA-N -1 3 364.446 0.864 10 0 FCAEHM O=C(CCCF)N[C@@H]1CN(C(=O)c2cc(=O)c3ccccc3[n-]2)C[C@H]1O ZINC001513031921 1264873825 /nfs/dbraw/zinc/87/38/25/1264873825.db2.gz VCFKJCCXXQOGCG-GDBMZVCRSA-N -1 3 361.373 0.579 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1NC(=O)CCc1cccnc1 ZINC001513242518 1264988799 /nfs/dbraw/zinc/98/87/99/1264988799.db2.gz AHCDJTRRVRKQOG-IUODEOHRSA-N -1 3 355.398 0.787 10 0 FCAEHM COCC(C)(C)C(=O)N1C[C@@H](NC(=O)c2c(C)nc[n-]c2=O)[C@H](OC)C1 ZINC001513411080 1265108748 /nfs/dbraw/zinc/10/87/48/1265108748.db2.gz QPBSXDWOGBSYJL-VXGBXAGGSA-N -1 3 366.418 0.119 10 0 FCAEHM CCCC(C)(C)C(=O)N1C[C@@H](NC(=O)c2c(C)nc[n-]c2=O)[C@@H](O)C1 ZINC001513612723 1265241981 /nfs/dbraw/zinc/24/19/81/1265241981.db2.gz VMCFYDUUMKPEHJ-NEPJUHHUSA-N -1 3 350.419 0.618 10 0 FCAEHM COCCOCCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cnc[n-]c1=O ZINC001514420731 1265350504 /nfs/dbraw/zinc/35/05/04/1265350504.db2.gz MBMISVUMYMYJKO-ZIAGYGMSSA-N -1 3 366.418 0.393 10 0 FCAEHM COCC(=O)NC[C@H]1CC[C@@H](NC(=O)CCc2c(C)nc[n-]c2=O)C1 ZINC001514965861 1265386991 /nfs/dbraw/zinc/38/69/91/1265386991.db2.gz FBOJQCHJYDHKOK-QWHCGFSZSA-N -1 3 350.419 0.471 10 0 FCAEHM O=C(NCC(F)F)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001514984502 1265391424 /nfs/dbraw/zinc/39/14/24/1265391424.db2.gz YTLIIPDGEFGUBY-WDEREUQCSA-N -1 3 369.368 0.788 10 0 FCAEHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1cnc[n-]c1=O ZINC001533268533 1267204728 /nfs/dbraw/zinc/20/47/28/1267204728.db2.gz ITNWRTQGDZXVLS-QJPTWQEYSA-N -1 3 350.419 0.461 10 0 FCAEHM CCN1CCN(C[C@H](C)CNC(=O)CCCn2ccc(C(=O)[O-])n2)CC1 ZINC001335018285 1267281966 /nfs/dbraw/zinc/28/19/66/1267281966.db2.gz NNTPEQLDJOKCIR-OAHLLOKOSA-N -1 3 365.478 0.751 10 0 FCAEHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)NCC[C@H]1CCC2(CCOCC2)CO1 ZINC001537577639 1267375990 /nfs/dbraw/zinc/37/59/90/1267375990.db2.gz SOCKVVBEXHMWRY-SNVBAGLBSA-N -1 3 352.391 0.566 10 0 FCAEHM COC(=O)c1[n-]cnc1NC(=O)CCOC(=O)CNC(=O)C(C)(C)C ZINC001540013162 1267438753 /nfs/dbraw/zinc/43/87/53/1267438753.db2.gz AWQGLKRBJWYFMJ-UHFFFAOYSA-N -1 3 354.363 0.230 10 0 FCAEHM COC(=O)c1nc[n-]c1NC(=O)CCOC(=O)CNC(=O)C(C)(C)C ZINC001540013162 1267438755 /nfs/dbraw/zinc/43/87/55/1267438755.db2.gz AWQGLKRBJWYFMJ-UHFFFAOYSA-N -1 3 354.363 0.230 10 0 FCAEHM COc1cccc([C@@H](CNC(=O)CCCn2c(=O)[n-][nH]c2=O)N(C)C)c1 ZINC001540528008 1267451069 /nfs/dbraw/zinc/45/10/69/1267451069.db2.gz WTKFHXTYXWHNGJ-CQSZACIVSA-N -1 3 363.418 0.897 10 0 FCAEHM Cc1nc(C)c(CC(=O)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)c(=O)[n-]1 ZINC001545221783 1267608553 /nfs/dbraw/zinc/60/85/53/1267608553.db2.gz ZSYHJRIZOHGFHZ-GTNSWQLSSA-N -1 3 361.402 0.178 10 0 FCAEHM COc1nnc(NC(=O)[C@H]2CCCN(CC(=O)OC(C)(C)C)C2=O)[n-]1 ZINC001545819033 1267623478 /nfs/dbraw/zinc/62/34/78/1267623478.db2.gz XMNGADRJLDMFHT-SECBINFHSA-N -1 3 353.379 0.332 10 0 FCAEHM COc1nc(NC(=O)[C@H]2CCCN(CC(=O)OC(C)(C)C)C2=O)n[n-]1 ZINC001545819033 1267623483 /nfs/dbraw/zinc/62/34/83/1267623483.db2.gz XMNGADRJLDMFHT-SECBINFHSA-N -1 3 353.379 0.332 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@H]2CCCN(CC(=O)OC(C)(C)C)C2=O)n1 ZINC001545819033 1267623489 /nfs/dbraw/zinc/62/34/89/1267623489.db2.gz XMNGADRJLDMFHT-SECBINFHSA-N -1 3 353.379 0.332 10 0 FCAEHM O=C(CCCn1cccn1)N1C[C@@H]2CCN(C(=O)c3cnc[n-]c3=O)[C@@H]2C1 ZINC001341065267 1268768322 /nfs/dbraw/zinc/76/83/22/1268768322.db2.gz OMPYHTUFMYBOBR-DZGCQCFKSA-N -1 3 370.413 0.532 10 0 FCAEHM CC1=C(C)C(=O)N(CCC(=O)Nc2cccc(Cc3nnn[n-]3)c2)C1=O ZINC001556923014 1268905279 /nfs/dbraw/zinc/90/52/79/1268905279.db2.gz DHHJPPOOCCNIBI-UHFFFAOYSA-N -1 3 354.370 0.824 10 0 FCAEHM CC1=C(C)C(=O)N(CCC(=O)Nc2cccc(Cc3nn[n-]n3)c2)C1=O ZINC001556923014 1268905283 /nfs/dbraw/zinc/90/52/83/1268905283.db2.gz DHHJPPOOCCNIBI-UHFFFAOYSA-N -1 3 354.370 0.824 10 0 FCAEHM O=C(c1ccc(C[C@@H]2CC(=O)NC2=O)cc1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001557317079 1268942786 /nfs/dbraw/zinc/94/27/86/1268942786.db2.gz BGKJPRXPPAFQLX-ZIAGYGMSSA-N -1 3 368.393 0.950 10 0 FCAEHM O=C(CCn1nnc2ccccc2c1=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001557320819 1268944036 /nfs/dbraw/zinc/94/40/36/1268944036.db2.gz LVFUUJHLLLJIDT-UHFFFAOYSA-N -1 3 358.383 0.282 10 0 FCAEHM CN1C(=O)CN=C1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC001557709499 1268970880 /nfs/dbraw/zinc/97/08/80/1268970880.db2.gz PPIQBMNPQUNXID-UHFFFAOYSA-N -1 3 370.406 0.460 10 0 FCAEHM O=C(c1cncc(N2CCCC2=O)c1)N1CCC(Cc2nnn[n-]2)CC1 ZINC001558178453 1269045286 /nfs/dbraw/zinc/04/52/86/1269045286.db2.gz RFEIUDSBNNXHFS-UHFFFAOYSA-N -1 3 355.402 0.816 10 0 FCAEHM O=C(c1cncc(N2CCCC2=O)c1)N1CCC(Cc2nn[n-]n2)CC1 ZINC001558178453 1269045299 /nfs/dbraw/zinc/04/52/99/1269045299.db2.gz RFEIUDSBNNXHFS-UHFFFAOYSA-N -1 3 355.402 0.816 10 0 FCAEHM COC(=O)c1ccc2c(c1)CC[C@@H](NC(=O)c1cc(=O)[n-]cn1)C(=O)N2 ZINC001558569489 1269115127 /nfs/dbraw/zinc/11/51/27/1269115127.db2.gz GHTSTHNPOHIVCD-GFCCVEGCSA-N -1 3 356.338 0.652 10 0 FCAEHM COC(=O)c1cc(NC(=O)CN2CCC(CO)CC2)c([O-])c(OC)c1 ZINC001558678123 1269129754 /nfs/dbraw/zinc/12/97/54/1269129754.db2.gz RPLYFMBZNRBXJF-UHFFFAOYSA-N -1 3 352.387 0.830 10 0 FCAEHM CO[C@]1(C(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)CCS(=O)(=O)C1 ZINC001558730480 1269134912 /nfs/dbraw/zinc/13/49/12/1269134912.db2.gz IFZOSOPTANTCEY-XHBSWPGZSA-N -1 3 369.443 0.528 10 0 FCAEHM O=C(CN1CCCCS1(=O)=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001558731485 1269134922 /nfs/dbraw/zinc/13/49/22/1269134922.db2.gz XAQGPKCZICXUIT-JOCQHMNTSA-N -1 3 368.459 0.750 10 0 FCAEHM O=C(CN1CC[C@H](c2nnn[n-]2)C1)NCC1(c2ccccc2)CCOCC1 ZINC001560101475 1269186704 /nfs/dbraw/zinc/18/67/04/1269186704.db2.gz MTFARLTWCUETIS-HNNXBMFYSA-N -1 3 370.457 0.854 10 0 FCAEHM O=C(CN1CC[C@H](c2nn[n-]n2)C1)NCC1(c2ccccc2)CCOCC1 ZINC001560101475 1269186706 /nfs/dbraw/zinc/18/67/06/1269186706.db2.gz MTFARLTWCUETIS-HNNXBMFYSA-N -1 3 370.457 0.854 10 0 FCAEHM COC1([C@H](C)NC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)CCOCC1 ZINC001564949685 1269444903 /nfs/dbraw/zinc/44/49/03/1269444903.db2.gz PFYUBJFXXCHLGL-QWHCGFSZSA-N -1 3 365.434 0.644 10 0 FCAEHM CNC(=O)[C@H]1CCC[C@H]1NC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001566461546 1269646536 /nfs/dbraw/zinc/64/65/36/1269646536.db2.gz ALALWCRYEDGFKN-QWHCGFSZSA-N -1 3 374.372 0.518 10 0 FCAEHM CNC(=O)[C@H]1CCC[C@H]1NC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001566461546 1269646544 /nfs/dbraw/zinc/64/65/44/1269646544.db2.gz ALALWCRYEDGFKN-QWHCGFSZSA-N -1 3 374.372 0.518 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])N1CCN2CCOC[C@@H]2C1 ZINC001567417148 1269692888 /nfs/dbraw/zinc/69/28/88/1269692888.db2.gz KWAMQOFWIYOTHI-AWEZNQCLSA-N -1 3 374.372 0.031 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c([O-])cc1=O)N1CCN2CCOC[C@@H]2C1 ZINC001567417148 1269692897 /nfs/dbraw/zinc/69/28/97/1269692897.db2.gz KWAMQOFWIYOTHI-AWEZNQCLSA-N -1 3 374.372 0.031 10 0 FCAEHM C[C@@H]1COCCN1C1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)CC1 ZINC001569863593 1269812126 /nfs/dbraw/zinc/81/21/26/1269812126.db2.gz TWWDIHLUVADRJR-GFCCVEGCSA-N -1 3 353.423 0.181 10 0 FCAEHM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)NCc1nc(=O)n(C)[n-]1 ZINC001571419592 1269932324 /nfs/dbraw/zinc/93/23/24/1269932324.db2.gz UNPLFHIJOCQQPH-TUKIKUTGSA-N -1 3 361.421 0.988 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)NC[C@@H](C1CC1)N(C)C(=O)c1cnc[n-]c1=O ZINC001572220684 1270013519 /nfs/dbraw/zinc/01/35/19/1270013519.db2.gz SZPJIXSUAUQAHO-UGFHNGPFSA-N -1 3 362.430 0.964 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CN(C)C(=O)c1c(C)nc[n-]c1=O ZINC001572291209 1270023496 /nfs/dbraw/zinc/02/34/96/1270023496.db2.gz HBNRJXNOPPHMRA-RTXFEEFZSA-N -1 3 350.419 0.882 10 0 FCAEHM Cc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1cnc[n-]c1=O ZINC001572335397 1270039494 /nfs/dbraw/zinc/03/94/94/1270039494.db2.gz RJFLRHZVRGFZCC-VHDGCEQUSA-N -1 3 370.409 0.501 10 0 FCAEHM CC(C)C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)n1 ZINC001344649683 1270217180 /nfs/dbraw/zinc/21/71/80/1270217180.db2.gz IUMGVLDZYQFECD-CRQFQMBKSA-N -1 3 360.414 0.494 10 0 FCAEHM CCCCCCOCC(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1O ZINC001572841752 1270236973 /nfs/dbraw/zinc/23/69/73/1270236973.db2.gz VJLBECGINXVCPD-ZIAGYGMSSA-N -1 3 366.418 0.081 10 0 FCAEHM CO[C@@H]1CN(C(=O)CCC(F)F)C[C@H]1NC(=O)c1c(C)nc[n-]c1=O ZINC001572964538 1270421088 /nfs/dbraw/zinc/42/10/88/1270421088.db2.gz MCGPAZXMXRJFIQ-NXEZZACHSA-N -1 3 358.345 0.492 10 0 FCAEHM C[C@H](C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cnc[n-]c2=O)C1)n1cncn1 ZINC001573168960 1270628468 /nfs/dbraw/zinc/62/84/68/1270628468.db2.gz PEIVGGVCVOKFTI-GRYCIOLGSA-N -1 3 359.390 0.050 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)NCc1cc(=O)[n-]c(CNC(=O)CCCF)n1 ZINC001573250298 1270709997 /nfs/dbraw/zinc/70/99/97/1270709997.db2.gz XZOSTICYSHJMKW-OLZOCXBDSA-N -1 3 368.409 0.979 10 0 FCAEHM CCC[C@@H](OC)C(=O)N1C[C@H]2CCN(C(=O)c3cnc[n-]c3=O)C[C@H]2C1 ZINC001573380818 1270768200 /nfs/dbraw/zinc/76/82/00/1270768200.db2.gz YXJVWZWZTXYUTE-VNHYZAJKSA-N -1 3 362.430 0.918 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)CCCS(N)(=O)=O)CCN1C(=O)c1ccccc1[O-] ZINC001573584137 1270837953 /nfs/dbraw/zinc/83/79/53/1270837953.db2.gz ZXDOJPQVXLSGLI-YPMHNXCESA-N -1 3 369.443 0.180 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CNC(=O)CC1OCCCO1 ZINC001573819632 1270893128 /nfs/dbraw/zinc/89/31/28/1270893128.db2.gz BYPZADRCMBLWGJ-VXGBXAGGSA-N -1 3 364.402 0.160 10 0 FCAEHM CCCCOCC(=O)N1C[C@@H](CNC(=O)c2cnc[n-]c2=O)[C@H](C)C1 ZINC001573857936 1270909964 /nfs/dbraw/zinc/90/99/64/1270909964.db2.gz MLPBOGFBRZUSQJ-CHWSQXEVSA-N -1 3 350.419 0.823 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NCCCCCCNC(=O)[C@]12C[C@H]1COC2 ZINC001576112845 1272901840 /nfs/dbraw/zinc/90/18/40/1272901840.db2.gz SNTFJKYQFINLPP-UGSOOPFHSA-N -1 3 362.430 0.934 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)NCCCN(Cc1nc(=O)n(C)[n-]1)C1CC1 ZINC001713038452 1287260455 /nfs/dbraw/zinc/26/04/55/1287260455.db2.gz CIOKKWCJDQODHN-DOMZBBRYSA-N -1 3 351.451 0.394 10 0 FCAEHM CN(CC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)C(=O)OC(C)(C)C ZINC001603293537 1287348284 /nfs/dbraw/zinc/34/82/84/1287348284.db2.gz XDCZKTIUTLWSLE-NSHDSACASA-N -1 3 351.407 0.744 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)N[C@@H](CNCc1nc(=O)n(C)[n-]1)C(C)(C)C ZINC001717964582 1287451606 /nfs/dbraw/zinc/45/16/06/1287451606.db2.gz ZEGUSSABQWAFPN-AGIUHOORSA-N -1 3 353.467 0.544 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)N(C)[C@H](CNC(=O)c1cnc[n-]c1=O)C1CC1 ZINC001718513584 1287513892 /nfs/dbraw/zinc/51/38/92/1287513892.db2.gz SUTDGGMUZSTZEZ-YUELXQCFSA-N -1 3 362.430 0.964 10 0 FCAEHM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)NC(=O)c1cnc[n-]c1=O ZINC001718595284 1287526140 /nfs/dbraw/zinc/52/61/40/1287526140.db2.gz QEKXJKJYPUDRSN-WCFLWFBJSA-N -1 3 358.402 0.296 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC001718627642 1287539005 /nfs/dbraw/zinc/53/90/05/1287539005.db2.gz RKBKISXDLHRWSF-YRGRVCCFSA-N -1 3 357.410 0.781 10 0 FCAEHM C[C@@]1(c2cccc(C(=O)N3CC[C@@H](c4cc(=O)[nH][n-]4)C3)c2)NC(=O)NC1=O ZINC001583357310 1282082748 /nfs/dbraw/zinc/08/27/48/1282082748.db2.gz HOOIASXQNBTSSJ-ZMZPIMSZSA-N -1 3 369.381 0.800 10 0 FCAEHM CS(=O)(=O)Nc1cccc(CC(=O)NCc2cc(=O)[n-]c(=S)[nH]2)c1 ZINC001583369389 1282085833 /nfs/dbraw/zinc/08/58/33/1282085833.db2.gz VFCFEHJRUVOLDM-UHFFFAOYSA-N -1 3 368.440 0.701 10 0 FCAEHM CCOC(Cn1cc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)nn1)OCC ZINC001631824981 1282116891 /nfs/dbraw/zinc/11/68/91/1282116891.db2.gz CGXIABSOKWEHME-NSHDSACASA-N -1 3 364.406 0.736 10 0 FCAEHM CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)c1 ZINC001631827449 1282118926 /nfs/dbraw/zinc/11/89/26/1282118926.db2.gz YQQDOXLAYCJOKG-VIFPVBQESA-N -1 3 353.404 0.323 10 0 FCAEHM O=C(COCCNC(=O)c1ccccc1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001631827490 1282119036 /nfs/dbraw/zinc/11/90/36/1282119036.db2.gz ZIDOYFKRABVIKU-AWEZNQCLSA-N -1 3 358.398 0.878 10 0 FCAEHM O=C(COCCNC(=O)c1ccccc1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001631827491 1282119266 /nfs/dbraw/zinc/11/92/66/1282119266.db2.gz ZIDOYFKRABVIKU-CQSZACIVSA-N -1 3 358.398 0.878 10 0 FCAEHM CN(C)C(=O)COc1ccccc1C(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001631839451 1282121518 /nfs/dbraw/zinc/12/15/18/1282121518.db2.gz SSULHQHCDNLYON-UHFFFAOYSA-N -1 3 362.411 0.868 10 0 FCAEHM CCOC(=O)[C@@H](NC(=O)c1cc(F)cc2n[n-]nc21)[C@H](O)c1cccnc1 ZINC001631959045 1282143492 /nfs/dbraw/zinc/14/34/92/1282143492.db2.gz QYWXLGVPRLZQHJ-LSDHHAIUSA-N -1 3 373.344 0.887 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)CCCN1C(=O)c2ccccc2C1=O ZINC001632758681 1282204448 /nfs/dbraw/zinc/20/44/48/1282204448.db2.gz QVMUDYWKYXYJGR-GFCCVEGCSA-N -1 3 356.382 0.691 10 0 FCAEHM C[C@H]1C(=O)N([N-]C(=O)c2cc(C(=O)OC(C)(C)C)nn2C)C(=O)N1C ZINC001585143572 1282205810 /nfs/dbraw/zinc/20/58/10/1282205810.db2.gz SAVYGRPMQZCOCQ-QMMMGPOBSA-N -1 3 351.363 0.303 10 0 FCAEHM CC(C)(C)OC(=O)C1=NO[C@H](C(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001585169998 1282207178 /nfs/dbraw/zinc/20/71/78/1282207178.db2.gz UQNHXGUOBKYHFC-ZDUSSCGKSA-N -1 3 372.385 0.970 10 0 FCAEHM CC(C)(C)OC(=O)C1=NO[C@H](C(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001585169998 1282207181 /nfs/dbraw/zinc/20/71/81/1282207181.db2.gz UQNHXGUOBKYHFC-ZDUSSCGKSA-N -1 3 372.385 0.970 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(=O)n(C)cc1Br ZINC001585163161 1282207267 /nfs/dbraw/zinc/20/72/67/1282207267.db2.gz FSXIAXLQCNKHRW-QMMMGPOBSA-N -1 3 355.192 0.390 10 0 FCAEHM CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)NCCCc1c[n-][nH]c1=O ZINC001585938526 1282258884 /nfs/dbraw/zinc/25/88/84/1282258884.db2.gz YJSIUGBVCBIFSX-NWDGAFQWSA-N -1 3 356.423 0.544 10 0 FCAEHM CC(=O)[C@H]1CC(C(=O)NCCCc2c[n-][nH]c2=O)=NN1c1ccccc1 ZINC001634143103 1282303245 /nfs/dbraw/zinc/30/32/45/1282303245.db2.gz DUMONWHKEQTKDI-XJKSGUPXSA-N -1 3 355.398 0.839 10 0 FCAEHM COc1ncc(C=CC(=O)N[C@@H]2CCN(c3nc(C)cc(=O)[n-]3)C2)cn1 ZINC001634682494 1282346682 /nfs/dbraw/zinc/34/66/82/1282346682.db2.gz ADYOGQWHOZBHIA-DHCBQETCSA-N -1 3 356.386 0.698 10 0 FCAEHM C[C@@H](NC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)C1(S(C)(=O)=O)CC1 ZINC001635135507 1282383508 /nfs/dbraw/zinc/38/35/08/1282383508.db2.gz PMPNDKWZITZDDU-GHMZBOCLSA-N -1 3 369.447 0.026 10 0 FCAEHM COc1cc(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)n(C)n1 ZINC001635366828 1282397751 /nfs/dbraw/zinc/39/77/51/1282397751.db2.gz MQCQIPGAMZOQLS-UHFFFAOYSA-N -1 3 358.152 0.092 10 0 FCAEHM O=C(c1ncc(Br)cc1[O-])N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC001635980743 1282449382 /nfs/dbraw/zinc/44/93/82/1282449382.db2.gz LJIWFJXSSFLQFH-GHMZBOCLSA-N -1 3 356.220 0.831 10 0 FCAEHM Cn1cc([C@@H]2C[C@H](NC(=O)c3ccc(-c4nnn[n-]4)cn3)CCO2)cn1 ZINC001637689718 1282614084 /nfs/dbraw/zinc/61/40/84/1282614084.db2.gz WMNLFQOHNAOIQD-OCCSQVGLSA-N -1 3 354.374 0.645 10 0 FCAEHM Cn1cc([C@@H]2C[C@H](NC(=O)c3ccc(-c4nn[n-]n4)cn3)CCO2)cn1 ZINC001637689718 1282614095 /nfs/dbraw/zinc/61/40/95/1282614095.db2.gz WMNLFQOHNAOIQD-OCCSQVGLSA-N -1 3 354.374 0.645 10 0 FCAEHM Cc1ccccc1[C@@H]1C(=O)NCCN1C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001638267645 1282679439 /nfs/dbraw/zinc/67/94/39/1282679439.db2.gz FHHHRAPIURUAKD-OAHLLOKOSA-N -1 3 363.381 0.883 10 0 FCAEHM Cc1ccccc1[C@@H]1C(=O)NCCN1C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001638267645 1282679453 /nfs/dbraw/zinc/67/94/53/1282679453.db2.gz FHHHRAPIURUAKD-OAHLLOKOSA-N -1 3 363.381 0.883 10 0 FCAEHM COCC[C@@]1(NC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)CCOC1 ZINC001638865582 1282728373 /nfs/dbraw/zinc/72/83/73/1282728373.db2.gz VACWDSWYEYZZOS-BLLLJJGKSA-N -1 3 351.407 0.256 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)NC1(c2ncccn2)CCC1 ZINC001638868185 1282728514 /nfs/dbraw/zinc/72/85/14/1282728514.db2.gz GHLPFHMBYPNFCV-GFCCVEGCSA-N -1 3 355.402 0.930 10 0 FCAEHM COC(=O)[C@]1(C)CCCN(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)C1 ZINC001638868594 1282729140 /nfs/dbraw/zinc/72/91/40/1282729140.db2.gz JUTSYMFHLHGTTR-SJKOYZFVSA-N -1 3 363.418 0.746 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NC[C@H]1CC2(CCC2)CO1 ZINC001639072114 1282744057 /nfs/dbraw/zinc/74/40/57/1282744057.db2.gz VBTRHPGLZBWDAH-GFCCVEGCSA-N -1 3 357.432 0.645 10 0 FCAEHM C[C@@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])CC(=O)N1C ZINC001639342563 1282774036 /nfs/dbraw/zinc/77/40/36/1282774036.db2.gz UVCJYJCUOHQBDY-SNVBAGLBSA-N -1 3 360.345 0.177 10 0 FCAEHM C[C@@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)CC(=O)N1C ZINC001639342563 1282774042 /nfs/dbraw/zinc/77/40/42/1282774042.db2.gz UVCJYJCUOHQBDY-SNVBAGLBSA-N -1 3 360.345 0.177 10 0 FCAEHM CN(C)S(=O)(=O)c1cccc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)c1 ZINC001639635753 1282800737 /nfs/dbraw/zinc/80/07/37/1282800737.db2.gz TYJIQAWCZLCVNO-GFCCVEGCSA-N -1 3 364.427 0.995 10 0 FCAEHM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC001639799552 1282815668 /nfs/dbraw/zinc/81/56/68/1282815668.db2.gz SUJUARDPEOQXQO-CABCVRRESA-N -1 3 373.413 0.191 10 0 FCAEHM COC(=O)c1cc(NC(=O)CN2C(=O)CN(C)C2=O)c([O-])c(OC)c1 ZINC001640001175 1282831525 /nfs/dbraw/zinc/83/15/25/1282831525.db2.gz YENVZALVCLGOCD-UHFFFAOYSA-N -1 3 351.315 0.020 10 0 FCAEHM CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)s1 ZINC001640110587 1282839636 /nfs/dbraw/zinc/83/96/36/1282839636.db2.gz TVPXOABOLMGSOB-SECBINFHSA-N -1 3 368.440 0.656 10 0 FCAEHM NC(=O)c1coc(C[N-]C(=O)C(F)(F)n2cc(-c3ccccc3)nn2)n1 ZINC001640268339 1282849937 /nfs/dbraw/zinc/84/99/37/1282849937.db2.gz QSOUEACYWWRJBW-UHFFFAOYSA-N -1 3 362.296 0.898 10 0 FCAEHM C[C@@H](NC(=O)C1=CS(=O)(=O)CCC1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001640318393 1282853593 /nfs/dbraw/zinc/85/35/93/1282853593.db2.gz ZBTPTKXVFNVLJV-GHMZBOCLSA-N -1 3 367.427 0.959 10 0 FCAEHM COc1ccc(S(N)(=O)=O)cc1C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001640594925 1282879535 /nfs/dbraw/zinc/87/95/35/1282879535.db2.gz KESBWMIUZLNPGM-SECBINFHSA-N -1 3 366.399 0.401 10 0 FCAEHM C[C@@H]1C(=O)N([N-]C(=O)c2cccc(S(=O)(=O)NC3CC3)c2)C(=O)N1C ZINC001640914426 1282913867 /nfs/dbraw/zinc/91/38/67/1282913867.db2.gz POIOHBXQAUWGDR-SECBINFHSA-N -1 3 366.399 0.055 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)NCC(C)(C)CS(N)(=O)=O)c([O-])c1 ZINC001642795925 1283041024 /nfs/dbraw/zinc/04/10/24/1283041024.db2.gz VCTWKDNZFWBLRE-UHFFFAOYSA-N -1 3 371.459 0.251 10 0 FCAEHM COC(=O)N1CCC(NC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)CC1 ZINC001680575529 1283434527 /nfs/dbraw/zinc/43/45/27/1283434527.db2.gz WEBPDZPKPKRNHO-LBPRGKRZSA-N -1 3 364.406 0.291 10 0 FCAEHM Cc1nc(C)c(CC(=O)N[C@@H]2CN(C(=O)COC(C)C)C[C@H]2C)c(=O)[n-]1 ZINC001682872233 1283795665 /nfs/dbraw/zinc/79/56/65/1283795665.db2.gz TYGRXOBRICCXRE-IAQYHMDHSA-N -1 3 364.446 0.730 10 0 FCAEHM CCC[C@@H](CC(C)C)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1O ZINC001719108311 1287755486 /nfs/dbraw/zinc/75/54/86/1287755486.db2.gz WOFCFOLFBOFUGG-NWANDNLSSA-N -1 3 364.446 0.946 10 0 FCAEHM CO[C@@H](CC(C)C)C(=O)N1CC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)[C@@H]2C1 ZINC001702413645 1285655583 /nfs/dbraw/zinc/65/55/83/1285655583.db2.gz RTUFDKGYIMKCOH-YUELXQCFSA-N -1 3 362.430 0.916 10 0 FCAEHM CCNC(=O)CCC(=O)NC[C@H]1CC[C@@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001702523588 1285697834 /nfs/dbraw/zinc/69/78/34/1285697834.db2.gz VCNBDMNVSOLXMM-NWDGAFQWSA-N -1 3 363.418 0.113 10 0 FCAEHM CCC1(C(=O)NCc2nc(CNC(=O)[C@]34C[C@H]3COC4)cc(=O)[n-]2)CC1 ZINC001702603611 1285750365 /nfs/dbraw/zinc/75/03/65/1285750365.db2.gz BYHVQNDNAUWFAB-VOJFVSQTSA-N -1 3 360.414 0.641 10 0 FCAEHM CO[C@@H](C)C(=O)N[C@H]1CCN(C(=O)Cc2c(C)nc(C)[n-]c2=O)[C@@H]1C ZINC001702685221 1285784908 /nfs/dbraw/zinc/78/49/08/1285784908.db2.gz WUMPJCLQQDMWCC-SUNKGSAMSA-N -1 3 350.419 0.482 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](CNC(=O)COC(C)C)[C@H](C)C1 ZINC001702794991 1285875789 /nfs/dbraw/zinc/87/57/89/1285875789.db2.gz VCXUXNKYKIKWAN-DGCLKSJQSA-N -1 3 350.419 0.740 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CNC(=O)CCCCC(N)=O ZINC001702819269 1285912757 /nfs/dbraw/zinc/91/27/57/1285912757.db2.gz BARYPTXCCZVVAL-VXGBXAGGSA-N -1 3 363.418 0.052 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NCC[C@@H]1CN(C(=O)[C@H](O)C(C)C)C[C@H]1C ZINC001702852941 1285945271 /nfs/dbraw/zinc/94/52/71/1285945271.db2.gz OZAZYRCEHFTZEW-UXIGCNINSA-N -1 3 364.446 0.722 10 0 FCAEHM CNC(=O)C1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccccc2[O-])C3)CC1 ZINC001702890572 1285971559 /nfs/dbraw/zinc/97/15/59/1285971559.db2.gz ZUMPMTVNPWRDRU-XBFCOCLRSA-N -1 3 357.410 0.780 10 0 FCAEHM C[C@H](OCC1CC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O ZINC001702897638 1285977349 /nfs/dbraw/zinc/97/73/49/1285977349.db2.gz IFPZTOBFFUPMTD-FDEJFUCISA-N -1 3 360.414 0.859 10 0 FCAEHM CN(CCCNC(=O)c1cnc[n-]c1=O)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001703603282 1286121880 /nfs/dbraw/zinc/12/18/80/1286121880.db2.gz WQIUKZVOPMXYJW-VXGBXAGGSA-N -1 3 358.402 0.298 10 0 FCAEHM CS(=O)(=O)c1ccc(C=CC(=O)N2CCC(Cc3nnn[n-]3)CC2)o1 ZINC001593936022 1286221855 /nfs/dbraw/zinc/22/18/55/1286221855.db2.gz MUHAUPAAYSQXBS-RQOWECAXSA-N -1 3 365.415 0.691 10 0 FCAEHM CS(=O)(=O)c1ccc(C=CC(=O)N2CCC(Cc3nn[n-]n3)CC2)o1 ZINC001593936022 1286221864 /nfs/dbraw/zinc/22/18/64/1286221864.db2.gz MUHAUPAAYSQXBS-RQOWECAXSA-N -1 3 365.415 0.691 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])N1CCN2C(=O)CC[C@H]2C1 ZINC001596249406 1286290570 /nfs/dbraw/zinc/29/05/70/1286290570.db2.gz ZWFAVUJKNZZTTB-ZDUSSCGKSA-N -1 3 372.356 0.321 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c([O-])cc1=O)N1CCN2C(=O)CC[C@H]2C1 ZINC001596249406 1286290576 /nfs/dbraw/zinc/29/05/76/1286290576.db2.gz ZWFAVUJKNZZTTB-ZDUSSCGKSA-N -1 3 372.356 0.321 10 0 FCAEHM COc1nnc(NC(=O)CC2(O)CCN(C(=O)OC(C)(C)C)CC2)[n-]1 ZINC001596266579 1286293131 /nfs/dbraw/zinc/29/31/31/1286293131.db2.gz YHPDOVBOTDMOSJ-UHFFFAOYSA-N -1 3 355.395 0.904 10 0 FCAEHM COc1nc(NC(=O)CC2(O)CCN(C(=O)OC(C)(C)C)CC2)n[n-]1 ZINC001596266579 1286293142 /nfs/dbraw/zinc/29/31/42/1286293142.db2.gz YHPDOVBOTDMOSJ-UHFFFAOYSA-N -1 3 355.395 0.904 10 0 FCAEHM COc1n[n-]c(NC(=O)CC2(O)CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC001596266579 1286293149 /nfs/dbraw/zinc/29/31/49/1286293149.db2.gz YHPDOVBOTDMOSJ-UHFFFAOYSA-N -1 3 355.395 0.904 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)CCC(=O)c3cnn(C)c3)CC2)n1 ZINC001596360141 1286298343 /nfs/dbraw/zinc/29/83/43/1286298343.db2.gz DWMQBZYTBURTQY-UHFFFAOYSA-N -1 3 358.402 0.536 10 0 FCAEHM C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2cc(-c3nnn[n-]3)ccc2F)C1=O ZINC001596990705 1286323843 /nfs/dbraw/zinc/32/38/43/1286323843.db2.gz ORAXHNBIXXNMMW-INIZCTEOSA-N -1 3 373.348 0.665 10 0 FCAEHM C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2cc(-c3nn[n-]n3)ccc2F)C1=O ZINC001596990705 1286323849 /nfs/dbraw/zinc/32/38/49/1286323849.db2.gz ORAXHNBIXXNMMW-INIZCTEOSA-N -1 3 373.348 0.665 10 0 FCAEHM O=C(NCC=CCNC(=O)[C@]12C[C@H]1COC2)c1cc(=O)c2ccccc2[n-]1 ZINC001705052886 1286342027 /nfs/dbraw/zinc/34/20/27/1286342027.db2.gz MVWHOBVRKGNNLZ-LCHPZSGMSA-N -1 3 367.405 0.967 10 0 FCAEHM CO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2nnc3ccccc3c2[O-])C[C@H]1C ZINC001719158150 1287813436 /nfs/dbraw/zinc/81/34/36/1287813436.db2.gz VKYROSXDMHRGGF-UHIISALHSA-N -1 3 358.398 0.947 10 0 FCAEHM CCO[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c(C)nc[n-]c2=O)C1)C1CC1 ZINC001719196902 1287857230 /nfs/dbraw/zinc/85/72/30/1287857230.db2.gz ODZGLWXTTRIOFJ-YVLXSGLVSA-N -1 3 362.430 0.882 10 0 FCAEHM O=C(CC1OCCCO1)NC[C@H]1CC[C@@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001736096258 1289141208 /nfs/dbraw/zinc/14/12/08/1289141208.db2.gz BHGHPKOSIORQEN-NWDGAFQWSA-N -1 3 364.402 0.350 10 0 FCAEHM COCCC[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1OC ZINC001719247572 1287943969 /nfs/dbraw/zinc/94/39/69/1287943969.db2.gz XIFXRXSSUSJJPZ-IACUBPJLSA-N -1 3 366.418 0.201 10 0 FCAEHM CN(CCCNC(=O)[C@@H]1C[C@H]1c1cccnc1)C(=O)c1cnc[n-]c1=O ZINC001720569098 1288241536 /nfs/dbraw/zinc/24/15/36/1288241536.db2.gz PIXWABCEBNMHPP-UONOGXRCSA-N -1 3 355.398 0.959 10 0 FCAEHM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)NCc1cc(=O)n2[n-]ccc2n1 ZINC001725506494 1288469080 /nfs/dbraw/zinc/46/90/80/1288469080.db2.gz OTIWGBNUDFSHJJ-NGFQHRJXSA-N -1 3 359.430 0.527 10 0 FCAEHM C[C@@H](CNCc1cc(=O)n2[n-]ccc2n1)N(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001732431724 1288583575 /nfs/dbraw/zinc/58/35/75/1288583575.db2.gz SERFRUMZKWRAIH-ODRUYCQJSA-N -1 3 371.441 0.383 10 0 FCAEHM CN(C[C@H](O)CNCc1cc(=O)n2[n-]ccc2n1)C(=O)[C@]12C[C@H]1CCC2 ZINC001734522440 1288655068 /nfs/dbraw/zinc/65/50/68/1288655068.db2.gz IHYZJIYKQVKERM-RVZJWNSFSA-N -1 3 359.430 0.122 10 0 FCAEHM CCO[C@@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)c2cn[n-]n2)CC1 ZINC001734643011 1288666027 /nfs/dbraw/zinc/66/60/27/1288666027.db2.gz GCRSFNSNRFKKOY-LNSITVRQSA-N -1 3 365.434 0.356 10 0 FCAEHM C[C@@H](CNC(=O)c1cnc[n-]c1=O)N(C)C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001734776720 1288673799 /nfs/dbraw/zinc/67/37/99/1288673799.db2.gz LEGWNMMCNOLWIU-FPMFFAJLSA-N -1 3 355.398 0.958 10 0 FCAEHM CN(C[C@@H](O)CNC(=O)c1ccccc1[O-])C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001735418329 1288736121 /nfs/dbraw/zinc/73/61/21/1288736121.db2.gz YYBNIGRSDRSTJC-LOPACJBASA-N -1 3 360.410 0.365 10 0 FCAEHM CN(C[C@@H](O)CNC(=O)c1cnc[n-]c1=O)C(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001735420165 1288736776 /nfs/dbraw/zinc/73/67/76/1288736776.db2.gz ALYCEFBDECBVSF-QJPTWQEYSA-N -1 3 360.370 0.128 10 0 FCAEHM CC1(C(=O)NCc2cc(=O)[n-]c(CNC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)n2)CC1 ZINC001736171897 1289187961 /nfs/dbraw/zinc/18/79/61/1289187961.db2.gz KURSVYBFTLGZAB-VXGBXAGGSA-N -1 3 370.413 0.742 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CNC(=O)CCc1ccncn1 ZINC001736364518 1289283793 /nfs/dbraw/zinc/28/37/93/1289283793.db2.gz BUIRBSGJLSDJLT-CHWSQXEVSA-N -1 3 370.413 0.429 10 0 FCAEHM COCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001736454005 1289358741 /nfs/dbraw/zinc/35/87/41/1289358741.db2.gz BQMVCUTUZNRWHZ-DYEKYZERSA-N -1 3 360.414 0.958 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC(F)F)C2 ZINC001736568902 1289447005 /nfs/dbraw/zinc/44/70/05/1289447005.db2.gz NHDFUWLIFBDCLA-MXWKQRLJSA-N -1 3 370.356 0.634 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)c2cc(Br)c[nH]c2=O)[n-]1 ZINC001611154600 1289634281 /nfs/dbraw/zinc/63/42/81/1289634281.db2.gz ONEAVMSMFFDBBW-UHFFFAOYSA-N -1 3 370.163 0.775 10 0 FCAEHM Cc1nc(C)c(CCC(=O)N2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)c(=O)[n-]1 ZINC001611640320 1289663997 /nfs/dbraw/zinc/66/39/97/1289663997.db2.gz ACEQGFMZMPDTBG-OLZOCXBDSA-N -1 3 353.444 0.625 10 0 FCAEHM O=C(NC[C@@H](CO)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)c1cccc2n[n-]nc21 ZINC001738884021 1289745444 /nfs/dbraw/zinc/74/54/44/1289745444.db2.gz GSBSCZCEKNWCER-PWNZVWSESA-N -1 3 371.441 0.991 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)CSc1ccc(S(N)(=O)=O)cc1 ZINC001615962521 1289765855 /nfs/dbraw/zinc/76/58/55/1289765855.db2.gz DFSYBQGHYSQXKQ-GFCCVEGCSA-N -1 3 370.456 0.054 10 0 FCAEHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)NCCN2C(=O)CNC2=O)s1 ZINC001616910990 1289801754 /nfs/dbraw/zinc/80/17/54/1289801754.db2.gz BAFSYYFPRXXFPT-UHFFFAOYSA-N -1 3 369.403 0.772 10 0 FCAEHM C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H](NC(=O)c1cnc[n-]c1=O)C(C)(C)C ZINC001739103253 1289803227 /nfs/dbraw/zinc/80/32/27/1289803227.db2.gz POOFRSQVQONNMJ-DRZSPHRISA-N -1 3 366.418 0.247 10 0 FCAEHM CCCC[C@@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001702203640 1289860380 /nfs/dbraw/zinc/86/03/80/1289860380.db2.gz KMJKBCSOCKBMET-RAIGVLPGSA-N -1 3 350.419 0.618 10 0 FCAEHM C[C@H]1OCC[C@]1(O)CNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001618089200 1289884783 /nfs/dbraw/zinc/88/47/83/1289884783.db2.gz HZWORYFJIIOBFV-QGHHPUGFSA-N -1 3 363.345 0.144 10 0 FCAEHM C[C@H]1OCC[C@]1(O)CNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001618089200 1289884794 /nfs/dbraw/zinc/88/47/94/1289884794.db2.gz HZWORYFJIIOBFV-QGHHPUGFSA-N -1 3 363.345 0.144 10 0 FCAEHM CC[C@@H](C)C(=O)N[C@@H]1CN(C(=O)Cc2c(C)nc(C)[n-]c2=O)C[C@H]1O ZINC001739397796 1289913086 /nfs/dbraw/zinc/91/30/86/1289913086.db2.gz DVPNQFFHZCSTEV-OWYVNGRQSA-N -1 3 350.419 0.076 10 0 FCAEHM COCCC(=O)N1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001702288179 1289968061 /nfs/dbraw/zinc/96/80/61/1289968061.db2.gz LHSDRFYAVQQLGJ-JKSUJKDBSA-N -1 3 370.409 0.943 10 0 FCAEHM COCCCCC(=O)N1C[C@@H](NC(=O)c2cccc3n[n-]nc32)[C@@H](O)C1 ZINC001739630876 1290267029 /nfs/dbraw/zinc/26/70/29/1290267029.db2.gz ZXDDMBKKVGLODA-KGLIPLIRSA-N -1 3 361.402 0.076 10 0 FCAEHM Cn1cc(N2C[C@H](C(=O)N3CCc4c(=O)[n-]cnc4C3)CCC2=O)cn1 ZINC001625147450 1290323087 /nfs/dbraw/zinc/32/30/87/1290323087.db2.gz DLSQUVSFPIJTHS-LLVKDONJSA-N -1 3 356.386 0.244 10 0 FCAEHM CCCCC1(C(=O)N[C@@H]2CN(C(=O)c3c(C)nc[n-]c3=O)C[C@@H]2O)CC1 ZINC001739679564 1290348108 /nfs/dbraw/zinc/34/81/08/1290348108.db2.gz CSCRZLOSPRQIRD-OLZOCXBDSA-N -1 3 362.430 0.763 10 0 FCAEHM CSCc1nc(CNC(=O)c2ccc([N-]S(C)(=O)=O)nc2)n[nH]1 ZINC001626109551 1290377119 /nfs/dbraw/zinc/37/71/19/1290377119.db2.gz FSTCGIJXFFNNDT-UHFFFAOYSA-N -1 3 356.433 0.364 10 0 FCAEHM CSCc1n[nH]c(CNC(=O)c2ccc([N-]S(C)(=O)=O)nc2)n1 ZINC001626109551 1290377130 /nfs/dbraw/zinc/37/71/30/1290377130.db2.gz FSTCGIJXFFNNDT-UHFFFAOYSA-N -1 3 356.433 0.364 10 0 FCAEHM CSCc1nnc(CNC(=O)c2ccc([N-]S(C)(=O)=O)nc2)[nH]1 ZINC001626109551 1290377140 /nfs/dbraw/zinc/37/71/40/1290377140.db2.gz FSTCGIJXFFNNDT-UHFFFAOYSA-N -1 3 356.433 0.364 10 0 FCAEHM O=C(CO[C@@H]1CCOC1)NC[C@H]1CC[C@@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001739877401 1290418027 /nfs/dbraw/zinc/41/80/27/1290418027.db2.gz MJWHTUPLKKGINF-YNEHKIRRSA-N -1 3 364.402 0.002 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc2c(c(S(N)(=O)=O)c1)CCC2 ZINC001627153037 1290441915 /nfs/dbraw/zinc/44/19/15/1290441915.db2.gz MYVONUPJIHRUHU-LBPRGKRZSA-N -1 3 364.427 0.065 10 0 FCAEHM CCO[C@H](C)C(=O)NCc1nc(CNC(=O)[C@@H]2C[C@H]2CC)cc(=O)[n-]1 ZINC001739981520 1290458182 /nfs/dbraw/zinc/45/81/82/1290458182.db2.gz ZXNOULTYXKWUBU-NQBHXWOUSA-N -1 3 350.419 0.886 10 0 FCAEHM CCCc1nnc(SCC(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)n1N ZINC001628250841 1290519137 /nfs/dbraw/zinc/51/91/37/1290519137.db2.gz DXAVGWOWSZJMHF-VIFPVBQESA-N -1 3 351.436 0.481 10 0 FCAEHM CC1(C)[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1N1CCOCC1 ZINC001628239993 1290519593 /nfs/dbraw/zinc/51/95/93/1290519593.db2.gz QMCUIDVBEUJDCX-KBPBESRZSA-N -1 3 357.418 0.491 10 0 FCAEHM CC1(C)[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1N1CCOCC1 ZINC001628239993 1290519599 /nfs/dbraw/zinc/51/95/99/1290519599.db2.gz QMCUIDVBEUJDCX-KBPBESRZSA-N -1 3 357.418 0.491 10 0 FCAEHM NS(=O)(=O)Cc1ccc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)cc1 ZINC001628244590 1290519627 /nfs/dbraw/zinc/51/96/27/1290519627.db2.gz FDPLKHNWKGTYEO-LBPRGKRZSA-N -1 3 350.400 0.534 10 0 FCAEHM COCCOC(=O)c1c(C)[nH]c(C(=O)NCCc2c(C)[n-][nH]c2=O)c1C ZINC001628270368 1290521645 /nfs/dbraw/zinc/52/16/45/1290521645.db2.gz ROSJNCUETBYIDQ-LBPRGKRZSA-N -1 3 364.402 0.677 10 0 FCAEHM CCO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O)C1CC1 ZINC001740357427 1290541282 /nfs/dbraw/zinc/54/12/82/1290541282.db2.gz BULCFKUROJIAIP-RZFFKMDDSA-N -1 3 360.414 0.859 10 0 FCAEHM C[C@H](C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)[C@@H](C)S(C)(=O)=O ZINC001629053534 1290573493 /nfs/dbraw/zinc/57/34/93/1290573493.db2.gz FYZCVTMWUVMTLX-DTWKUNHWSA-N -1 3 355.416 0.590 10 0 FCAEHM CCOC(=O)[C@@H](NC(=O)c1ccc(-n2[n-]c(=O)[nH]c2=O)cc1)C(C)(C)C ZINC001630568910 1290677133 /nfs/dbraw/zinc/67/71/33/1290677133.db2.gz TUVVTFOQFAWBPP-GFCCVEGCSA-N -1 3 362.386 0.974 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC001630632513 1290683723 /nfs/dbraw/zinc/68/37/23/1290683723.db2.gz VDJSKFOQMNBRIC-ZDUSSCGKSA-N -1 3 364.427 0.468 10 0 FCAEHM CNC(=O)NCCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC001643401830 1290884549 /nfs/dbraw/zinc/88/45/49/1290884549.db2.gz XTWTZMXLFQOEID-UHFFFAOYSA-N -1 3 360.411 0.171 10 0 FCAEHM CN(CC(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1)S(=O)(=O)c1cccnc1 ZINC001644260805 1290950717 /nfs/dbraw/zinc/95/07/17/1290950717.db2.gz GZYHWLQDXQQYSM-NSHDSACASA-N -1 3 365.415 0.147 10 0 FCAEHM CCOC(=O)C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001644597239 1290965632 /nfs/dbraw/zinc/96/56/32/1290965632.db2.gz UEGILXHFXDUSON-VIFPVBQESA-N -1 3 358.280 0.876 10 0 FCAEHM CCOC(=O)C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001644597239 1290965635 /nfs/dbraw/zinc/96/56/35/1290965635.db2.gz UEGILXHFXDUSON-VIFPVBQESA-N -1 3 358.280 0.876 10 0 FCAEHM O=C([C@H]1CNC(=O)C[C@H]1C(F)(F)F)N1CCC(Cc2nnn[n-]2)CC1 ZINC001644765375 1290982492 /nfs/dbraw/zinc/98/24/92/1290982492.db2.gz KXBREOPBNSPFQO-VHSXEESVSA-N -1 3 360.340 0.295 10 0 FCAEHM O=C([C@H]1CNC(=O)C[C@H]1C(F)(F)F)N1CCC(Cc2nn[n-]n2)CC1 ZINC001644765375 1290982500 /nfs/dbraw/zinc/98/25/00/1290982500.db2.gz KXBREOPBNSPFQO-VHSXEESVSA-N -1 3 360.340 0.295 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)CONC(=O)OC(C)(C)C)CC2)n1 ZINC001644865042 1290990083 /nfs/dbraw/zinc/99/00/83/1290990083.db2.gz FUVSSSMWSKUOQT-UHFFFAOYSA-N -1 3 367.406 0.596 10 0 FCAEHM CC(C)(NC(=O)Cn1cc(Br)c(=O)[n-]c1=O)c1ncon1 ZINC001647838443 1291077500 /nfs/dbraw/zinc/07/75/00/1291077500.db2.gz LXAOENONXGNWCT-UHFFFAOYSA-N -1 3 358.152 0.146 10 0 FCAEHM CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)NCCCc2c[n-][nH]c2=O)C1 ZINC001647858141 1291078877 /nfs/dbraw/zinc/07/88/77/1291078877.db2.gz FNEDZUJAMLAPQC-BZNIZROVSA-N -1 3 356.398 0.964 10 0 FCAEHM CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)NCCCc2c[n-][nH]c2=O)C1 ZINC001647858143 1291079197 /nfs/dbraw/zinc/07/91/97/1291079197.db2.gz FNEDZUJAMLAPQC-ZBEGNZNMSA-N -1 3 356.398 0.964 10 0 FCAEHM Cc1ccn(C[C@@](C)(O)C(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)c(=O)c1 ZINC001647878025 1291081017 /nfs/dbraw/zinc/08/10/17/1291081017.db2.gz LZBDDOVLDUDTPR-YMTOWFKASA-N -1 3 373.335 0.922 10 0 FCAEHM COC(=O)[C@H]1CN(C(=O)c2cc3c(cc2[O-])OCO3)C[C@H]1C(=O)OC ZINC001647950138 1291089248 /nfs/dbraw/zinc/08/92/48/1291089248.db2.gz UOGYKHFYQNEFLV-AOOOYVTPSA-N -1 3 351.311 0.155 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N(OC)[C@H](C)CC(=O)OC)ccc1F ZINC001648207730 1291111876 /nfs/dbraw/zinc/11/18/76/1291111876.db2.gz UIQONBVEGXILOZ-SECBINFHSA-N -1 3 362.379 0.689 10 0 FCAEHM CN(Cc1nc(=O)n(C)[n-]1)C1(CNC(=O)OC(C)(C)C)CCOCC1 ZINC001648452290 1291121929 /nfs/dbraw/zinc/12/19/29/1291121929.db2.gz ASEIOXNFJJYHMC-UHFFFAOYSA-N -1 3 355.439 0.614 10 0 FCAEHM O=C(CNC(=O)c1ccc([O-])cc1)N1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC001651209277 1291206644 /nfs/dbraw/zinc/20/66/44/1291206644.db2.gz HDLHODGERMYBHL-AWEZNQCLSA-N -1 3 372.381 0.983 10 0 FCAEHM Cn1ccnc1CCNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001651652873 1291232305 /nfs/dbraw/zinc/23/23/05/1291232305.db2.gz SMCLPBAYNMLCLK-UHFFFAOYSA-N -1 3 357.345 0.580 10 0 FCAEHM Cn1ccnc1CCNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001651652873 1291232313 /nfs/dbraw/zinc/23/23/13/1291232313.db2.gz SMCLPBAYNMLCLK-UHFFFAOYSA-N -1 3 357.345 0.580 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)c3cccc4c3NC(=O)CO4)CC2)n1 ZINC001652070607 1291257697 /nfs/dbraw/zinc/25/76/97/1291257697.db2.gz DPXXETVSWHHBBZ-UHFFFAOYSA-N -1 3 369.381 0.784 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccnc(-n2cncn2)c1 ZINC001653313266 1291335069 /nfs/dbraw/zinc/33/50/69/1291335069.db2.gz STKOHWKAJPDQPY-GFCCVEGCSA-N -1 3 352.358 0.167 10 0 FCAEHM O=C(NN1CC(=O)[N-]C1=O)c1cc(Br)cn(C2CC2)c1=O ZINC001654198233 1291397829 /nfs/dbraw/zinc/39/78/29/1291397829.db2.gz VQJUNLDMBQQLMC-UHFFFAOYSA-N -1 3 355.148 0.142 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N[C@@H](CCO)C1CCCC1 ZINC001654835390 1291439135 /nfs/dbraw/zinc/43/91/35/1291439135.db2.gz LYRCGSQYAFAULR-ZDUSSCGKSA-N -1 3 359.448 0.627 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(CC(=O)NCC(=O)OC(C)(C)C)CC2)n1 ZINC001655611039 1291478141 /nfs/dbraw/zinc/47/81/41/1291478141.db2.gz SXHJDROAJDPULI-UHFFFAOYSA-N -1 3 365.434 0.071 10 0 FCAEHM Cc1nc2c(c(=O)[n-]1)CN(C[C@@H](O)CN1C(=O)c3ccccc3C1=O)C2 ZINC001659656065 1291641639 /nfs/dbraw/zinc/64/16/39/1291641639.db2.gz JJTWMXJJVXYISB-LLVKDONJSA-N -1 3 354.366 0.463 10 0 FCAEHM COC[C@H](NC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)[C@@H]1CCCOC1 ZINC001676119095 1292194341 /nfs/dbraw/zinc/19/43/41/1292194341.db2.gz UYGMHQUECFMQJE-RDBSUJKOSA-N -1 3 365.434 0.502 10 0 FCAEHM CCOCC(=O)N1CC[C@H](NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)[C@H]1C ZINC001685340974 1292504068 /nfs/dbraw/zinc/50/40/68/1292504068.db2.gz XMNQITQJMHDGNL-YGRLFVJLSA-N -1 3 359.382 0.326 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N[C@H]1COc2ccccc2[C@H]1O ZINC001685574794 1292562819 /nfs/dbraw/zinc/56/28/19/1292562819.db2.gz PUFQBRIYKILFNX-BTJLNZGRSA-N -1 3 371.397 0.555 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CCNC(=O)Cc1cc[nH]n1 ZINC001685834245 1292651977 /nfs/dbraw/zinc/65/19/77/1292651977.db2.gz IOXIQZNPEINWDU-VXGBXAGGSA-N -1 3 358.402 0.362 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC001685921911 1292697821 /nfs/dbraw/zinc/69/78/21/1292697821.db2.gz WRSOZOXMOAGXIV-AHIWAGSCSA-N -1 3 363.418 0.398 10 0 FCAEHM CCO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O)C1CC1 ZINC001686013543 1292731155 /nfs/dbraw/zinc/73/11/55/1292731155.db2.gz BULCFKUROJIAIP-UNQGMJICSA-N -1 3 360.414 0.859 10 0 FCAEHM Cc1nc(C)c(CC(=O)NCCNC(=O)[C@@H]2CCO[C@H]2C2CC2)c(=O)[n-]1 ZINC001686630904 1292942274 /nfs/dbraw/zinc/94/22/74/1292942274.db2.gz FSGPTZKIXVSVOP-CJNGLKHVSA-N -1 3 362.430 0.389 10 0 FCAEHM CCN(C[C@H](O)C(F)(F)F)C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001687790092 1293014022 /nfs/dbraw/zinc/01/40/22/1293014022.db2.gz UKUPRZROMIIGKN-UWVGGRQHSA-N -1 3 363.340 0.716 10 0 FCAEHM COC(=O)/C(C)=C/COC(=O)c1ccc(S(=O)(=O)[N-]CCO)s1 ZINC000748196408 836290656 /nfs/dbraw/zinc/29/06/56/836290656.db2.gz KEJGBCHXWPAYCJ-WEVVVXLNSA-N -1 3 363.413 0.295 10 0 FCAEHM CC[S@](=O)CC[N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC ZINC000749109231 836343172 /nfs/dbraw/zinc/34/31/72/836343172.db2.gz XSYIQXNUYYJDFU-FQEVSTJZSA-N -1 3 355.459 0.590 10 0 FCAEHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCC(=O)N(C)C1 ZINC000751117874 836467595 /nfs/dbraw/zinc/46/75/95/836467595.db2.gz MAGKHQAKEWPYAW-MRVPVSSYSA-N -1 3 361.807 0.421 10 0 FCAEHM CS(=O)(=O)CC1([N-]S(=O)(=O)c2ccc(Cl)cc2F)COC1 ZINC000825521316 836526954 /nfs/dbraw/zinc/52/69/54/836526954.db2.gz WSDUKEXDNVFYCT-UHFFFAOYSA-N -1 3 357.812 0.571 10 0 FCAEHM COC(=O)[C@@](C)([N-]S(=O)(=O)CCCS(C)(=O)=O)c1ccccc1 ZINC001116120060 846613254 /nfs/dbraw/zinc/61/32/54/846613254.db2.gz ULDQNCWAGGCHBA-AWEZNQCLSA-N -1 3 363.457 0.429 10 0 FCAEHM CCN1CCN(C[C@H](C)CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CC1 ZINC001119715366 847949789 /nfs/dbraw/zinc/94/97/89/847949789.db2.gz SSRLUGCEHAVZQA-RKVPGOIHSA-N -1 3 352.479 0.909 10 0 FCAEHM O=C(CSCC(=O)N1CCC(Cc2nnn[n-]2)CC1)N1CCCCC1 ZINC001123894769 848651180 /nfs/dbraw/zinc/65/11/80/848651180.db2.gz LMESSZRNRYUQKK-UHFFFAOYSA-N -1 3 366.491 0.727 10 0 FCAEHM O=C(CSCC(=O)N1CCC(Cc2nn[n-]n2)CC1)N1CCCCC1 ZINC001123894769 848651186 /nfs/dbraw/zinc/65/11/86/848651186.db2.gz LMESSZRNRYUQKK-UHFFFAOYSA-N -1 3 366.491 0.727 10 0 FCAEHM COC(=O)c1cccc2[n-]c(NC(=O)[C@]3(F)CCS(=O)(=O)C3)nc21 ZINC001127417042 848720014 /nfs/dbraw/zinc/72/00/14/848720014.db2.gz PFXRPMDYHVFZIH-AWEZNQCLSA-N -1 3 355.347 0.815 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccncc1NC(=O)C(F)(F)F ZINC001136654011 849232988 /nfs/dbraw/zinc/23/29/88/849232988.db2.gz ORYUPWGBFRQELW-MRVPVSSYSA-N -1 3 357.292 0.824 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001136654145 849233355 /nfs/dbraw/zinc/23/33/55/849233355.db2.gz UZHXIXNJLOFKCV-NEPJUHHUSA-N -1 3 354.407 0.251 10 0 FCAEHM O=C(c1nc[n-]c(=O)c1Br)N1CCN(C2CCOCC2)CC1 ZINC001137170084 849257567 /nfs/dbraw/zinc/25/75/67/849257567.db2.gz HISGZFKWSHEOMI-UHFFFAOYSA-N -1 3 371.235 0.882 10 0 FCAEHM CCOC(=O)C[C@@H](O)C(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001137302281 849262496 /nfs/dbraw/zinc/26/24/96/849262496.db2.gz YKWAMAPDONMGFH-GFCCVEGCSA-N -1 3 362.379 0.128 10 0 FCAEHM COc1nnc(NC(=O)CCc2ccc(N3CCCS3(=O)=O)cc2)[n-]1 ZINC001137567618 849272140 /nfs/dbraw/zinc/27/21/40/849272140.db2.gz HORLYSVLGPHXEZ-UHFFFAOYSA-N -1 3 365.415 0.925 10 0 FCAEHM COc1nc(NC(=O)CCc2ccc(N3CCCS3(=O)=O)cc2)n[n-]1 ZINC001137567618 849272149 /nfs/dbraw/zinc/27/21/49/849272149.db2.gz HORLYSVLGPHXEZ-UHFFFAOYSA-N -1 3 365.415 0.925 10 0 FCAEHM COc1n[n-]c(NC(=O)CCc2ccc(N3CCCS3(=O)=O)cc2)n1 ZINC001137567618 849272157 /nfs/dbraw/zinc/27/21/57/849272157.db2.gz HORLYSVLGPHXEZ-UHFFFAOYSA-N -1 3 365.415 0.925 10 0 FCAEHM CC1(C)CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)CCS1(=O)=O ZINC001139833274 849349800 /nfs/dbraw/zinc/34/98/00/849349800.db2.gz GNJKESJMZCQPRK-UHFFFAOYSA-N -1 3 350.404 0.301 10 0 FCAEHM CC1(C)CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)CCS1(=O)=O ZINC001139833274 849349807 /nfs/dbraw/zinc/34/98/07/849349807.db2.gz GNJKESJMZCQPRK-UHFFFAOYSA-N -1 3 350.404 0.301 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2[C@H](C)CC[C@@H](C(N)=O)[C@H]2C)ccc1F ZINC001143585398 849493375 /nfs/dbraw/zinc/49/33/75/849493375.db2.gz UNMQHJQJPLHBOH-CKYFFXLPSA-N -1 3 371.434 0.848 10 0 FCAEHM Cc1sc(S(N)(=O)=O)cc1C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001144502918 849524219 /nfs/dbraw/zinc/52/42/19/849524219.db2.gz PTBOYFDWSANOFJ-MRVPVSSYSA-N -1 3 356.429 0.762 10 0 FCAEHM CCS(=O)(=O)N1CCC[C@H](C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)C1 ZINC001144503166 849524292 /nfs/dbraw/zinc/52/42/92/849524292.db2.gz SVQGAUSGGLTEMY-NEPJUHHUSA-N -1 3 356.448 0.493 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2C[C@H](N3CCOCC3)C2(C)C)co1 ZINC001164313425 850405399 /nfs/dbraw/zinc/40/53/99/850405399.db2.gz HZNFJOODZZFAEC-STQMWFEESA-N -1 3 371.459 0.417 10 0 FCAEHM CNS(=O)(=O)c1ccc(CCC(=O)NCCCc2c[n-][nH]c2=O)cc1 ZINC001168403928 850585242 /nfs/dbraw/zinc/58/52/42/850585242.db2.gz JIZJHULYKVRILM-ZDUSSCGKSA-N -1 3 366.443 0.156 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](O)[C@@H](O)C2)ccc1F ZINC001171680899 850693381 /nfs/dbraw/zinc/69/33/81/850693381.db2.gz TYPFVMZBKBZGBJ-OLZOCXBDSA-N -1 3 360.407 0.080 10 0 FCAEHM CN(C)S(=O)(=O)c1ccc(CN2CCC(Cc3nnn[n-]3)CC2)o1 ZINC001175846084 850775524 /nfs/dbraw/zinc/77/55/24/850775524.db2.gz ULZVZZVUHHFIST-UHFFFAOYSA-N -1 3 354.436 0.498 10 0 FCAEHM CN(C)S(=O)(=O)c1ccc(CN2CCC(Cc3nn[n-]n3)CC2)o1 ZINC001175846084 850775529 /nfs/dbraw/zinc/77/55/29/850775529.db2.gz ULZVZZVUHHFIST-UHFFFAOYSA-N -1 3 354.436 0.498 10 0 FCAEHM Cc1cc(=O)[n-]c(CN2CCCS(=O)(=O)C[C@@H]2c2cnn(C)c2)n1 ZINC001176166210 850783448 /nfs/dbraw/zinc/78/34/48/850783448.db2.gz DPHSEQUUIWGEOW-CYBMUJFWSA-N -1 3 351.432 0.586 10 0 FCAEHM C[C@H](NCc1nc2c(c(=O)[n-]1)COCC2)c1ccc(S(N)(=O)=O)cc1 ZINC001176629991 850795550 /nfs/dbraw/zinc/79/55/50/850795550.db2.gz WSCRFCWBTOYCLC-JTQLQIEISA-N -1 3 364.427 0.753 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)N2CCN([S@](C)(=N)=O)CC2)c([O-])c1 ZINC001177171796 850829049 /nfs/dbraw/zinc/82/90/49/850829049.db2.gz FMOBREPASRBXTP-VWLOTQADSA-N -1 3 368.459 0.556 10 0 FCAEHM C[C@@H](CC(=O)N[C@H]1CC12CC(O)C2)[N-]S(=O)(=O)c1cccnc1Cl ZINC001178968825 850942107 /nfs/dbraw/zinc/94/21/07/850942107.db2.gz UJFBLUGJXUXBMA-PULIZBFPSA-N -1 3 373.862 0.822 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)CCCCCNC(N)=O)CC2)n1 ZINC001184327664 851300643 /nfs/dbraw/zinc/30/06/43/851300643.db2.gz XUFPIMXSAQPBJP-UHFFFAOYSA-N -1 3 350.423 0.368 10 0 FCAEHM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1CC1CN(S(C)(=O)=O)C1 ZINC001195604646 852797146 /nfs/dbraw/zinc/79/71/46/852797146.db2.gz IRDCLYRPDJQUMT-ONGXEEELSA-N -1 3 357.398 0.409 10 0 FCAEHM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1CCO[C@H](C(F)F)CC1 ZINC001254496853 857974757 /nfs/dbraw/zinc/97/47/57/857974757.db2.gz NAUVWWQSGVISCS-NSHDSACASA-N -1 3 358.345 0.821 10 0 FCAEHM CCCN(C(=O)NC[C@@H]1CCN1C1CCOCC1)[C@@H](COC)C(=O)[O-] ZINC001262210232 858820706 /nfs/dbraw/zinc/82/07/06/858820706.db2.gz QQJHLQFZHUYMSO-GJZGRUSLSA-N -1 3 357.451 0.761 10 0 FCAEHM CCCCOCC(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]2C1 ZINC001264085533 859303342 /nfs/dbraw/zinc/30/33/42/859303342.db2.gz QOSHSDDKMCEGAE-KGLIPLIRSA-N -1 3 351.451 0.205 10 0 FCAEHM COC[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2cnc[n-]c2=O)C1 ZINC001282545989 864338399 /nfs/dbraw/zinc/33/83/99/864338399.db2.gz ITDFBMVJFGFHAM-JHJVBQTASA-N -1 3 350.419 0.679 10 0 FCAEHM CSC[C@@H](C)C(=O)N1C[C@@H]2CCN(C(=O)c3cnc[n-]c3=O)[C@@H]2C1 ZINC001288963838 864827704 /nfs/dbraw/zinc/82/77/04/864827704.db2.gz RBWYEAHKRRWDLK-NTZNESFSSA-N -1 3 350.444 0.854 10 0 FCAEHM CC[C@@H](CC(C)C)C(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1 ZINC001289659270 865203192 /nfs/dbraw/zinc/20/31/92/865203192.db2.gz NIUATKCZNLAVHO-YUTCNCBUSA-N -1 3 350.419 0.556 10 0 FCAEHM CO[C@H](CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn[n-]n1)C2)C(F)(F)F ZINC001291924742 865655362 /nfs/dbraw/zinc/65/53/62/865655362.db2.gz QBOFMTXNCABAPG-YKDSUIRESA-N -1 3 361.324 0.634 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H](C)S(=O)(=O)c1ccc(F)cc1 ZINC001292968321 865765869 /nfs/dbraw/zinc/76/58/69/865765869.db2.gz NXBOEJVHIDRKOK-GWCFXTLKSA-N -1 3 355.391 0.616 10 0 FCAEHM COC(=O)CN(C)CC[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC001322562566 868860871 /nfs/dbraw/zinc/86/08/71/868860871.db2.gz LYCBXKBYFRCGCN-UHFFFAOYSA-N -1 3 355.338 0.484 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)NC2CCN(CC(=O)[O-])CC2)cc1F ZINC001326505727 870355395 /nfs/dbraw/zinc/35/53/95/870355395.db2.gz NNZDVHFLGLCSNG-UHFFFAOYSA-N -1 3 374.390 0.440 10 0 FCAEHM CSCCC(=O)N1CC[C@@H]2CN(C(=O)c3c(C)nc[n-]c3=O)[C@@H]2C1 ZINC001343954107 870683810 /nfs/dbraw/zinc/68/38/10/870683810.db2.gz HCXBPMTVGDEKFD-VXGBXAGGSA-N -1 3 350.444 0.917 10 0 FCAEHM COC1(C)CN(c2nnc(-c3nnc(Cl)[n-]3)n2C[C@H]2CCOC2)C1 ZINC001344224350 870772988 /nfs/dbraw/zinc/77/29/88/870772988.db2.gz GFRZBFNYVULRDK-SECBINFHSA-N -1 3 353.814 0.978 10 0 FCAEHM COC1(C)CN(c2nnc(-c3n[n-]c(Cl)n3)n2C[C@H]2CCOC2)C1 ZINC001344224350 870773001 /nfs/dbraw/zinc/77/30/01/870773001.db2.gz GFRZBFNYVULRDK-SECBINFHSA-N -1 3 353.814 0.978 10 0 FCAEHM COCC(=O)N[C@@H]1CC[C@H](CNC(=O)CCc2c(C)nc[n-]c2=O)C1 ZINC001344293808 870810982 /nfs/dbraw/zinc/81/09/82/870810982.db2.gz MTVGWRXKYCTLGH-QWHCGFSZSA-N -1 3 350.419 0.471 10 0 FCAEHM CCCOCC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)c1cnc[n-]c1=O ZINC001344538392 870926990 /nfs/dbraw/zinc/92/69/90/870926990.db2.gz WLYRDXFRZFHDGJ-OLZOCXBDSA-N -1 3 350.419 0.966 10 0 FCAEHM O=C([O-])CCC1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC001327828307 871101817 /nfs/dbraw/zinc/10/18/17/871101817.db2.gz FBXLCLYEAUROIC-HNNXBMFYSA-N -1 3 351.447 0.690 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)CN(C)S(C)(=O)=O)CCN1C(=O)c1ccccc1[O-] ZINC001345409044 871328880 /nfs/dbraw/zinc/32/88/80/871328880.db2.gz ZVMMNFAQABLPDO-YPMHNXCESA-N -1 3 369.443 0.003 10 0 FCAEHM COC(OC)C(=O)N1CCN(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC001345664535 871452544 /nfs/dbraw/zinc/45/25/44/871452544.db2.gz OUCCUZSPMHMGAM-UHFFFAOYSA-N -1 3 355.366 0.504 10 0 FCAEHM CCOCCS(=O)(=O)[N-]Cc1nnc(-c2cncc(NC(C)=O)c2)o1 ZINC001346008400 871601446 /nfs/dbraw/zinc/60/14/46/871601446.db2.gz HGTVWBWWGMVFQX-UHFFFAOYSA-N -1 3 369.403 0.546 10 0 FCAEHM CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)c1cnc2n1CCOC2 ZINC001329637395 872149441 /nfs/dbraw/zinc/14/94/41/872149441.db2.gz UQVHLFWATMYLST-UHFFFAOYSA-N -1 3 368.390 0.854 10 0 FCAEHM O=C(NCc1nc(C(F)(F)F)n[n-]1)C(=O)N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001347616453 872421158 /nfs/dbraw/zinc/42/11/58/872421158.db2.gz RZKLSICNDDTGQS-DSYKOEDSSA-N -1 3 367.278 0.990 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)c1nn2c(c1Br)CCC2 ZINC001332688115 873617179 /nfs/dbraw/zinc/61/71/79/873617179.db2.gz IDAZDCKUWVOJGX-QMMMGPOBSA-N -1 3 354.208 0.834 10 0 FCAEHM COC(=O)C1CC2(C1)CN([C@H](C)C(=O)N1CCCCC1)C[C@H]2C(=O)[O-] ZINC001333162692 873829661 /nfs/dbraw/zinc/82/96/61/873829661.db2.gz FTDZBWIQFQZHEA-VUULHSHRSA-N -1 3 352.431 0.973 10 0 FCAEHM CC(C)N([C@@H]1CCOC1)S(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000292078475 214075831 /nfs/dbraw/zinc/07/58/31/214075831.db2.gz JAZYOTBUIITASM-SNVBAGLBSA-N -1 3 368.415 0.222 10 0 FCAEHM C[C@@H](CCCCNC(=O)OC(C)(C)C)NC(=O)CN1CC(=O)[N-]C1=O ZINC000292321854 214092587 /nfs/dbraw/zinc/09/25/87/214092587.db2.gz KGDQPLPCNSOULV-NSHDSACASA-N -1 3 356.423 0.738 10 0 FCAEHM C[C@@H](CCCCNC(=O)OC(C)(C)C)NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000292503074 214105154 /nfs/dbraw/zinc/10/51/54/214105154.db2.gz SFLAVTONLGGKKQ-QWRGUYRKSA-N -1 3 356.423 0.784 10 0 FCAEHM CCn1ncc(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)n1 ZINC000293680372 214191797 /nfs/dbraw/zinc/19/17/97/214191797.db2.gz WYRFUCQRGGDKHY-UHFFFAOYSA-N -1 3 363.852 0.721 10 0 FCAEHM CCN1CC[C@H]2OCCN(C(=O)Cc3c(C)nc4cc(=O)[n-]n4c3C)[C@H]2C1 ZINC000293869145 214207287 /nfs/dbraw/zinc/20/72/87/214207287.db2.gz JZVRWIYPKPCRAF-JKSUJKDBSA-N -1 3 373.457 0.504 10 0 FCAEHM CO[C@H](C)CS(=O)(=O)[N-]c1cccc(CC(=O)N2CCN(C)CC2)c1 ZINC000294927054 214270765 /nfs/dbraw/zinc/27/07/65/214270765.db2.gz CTKULAYLVKSKHG-CQSZACIVSA-N -1 3 369.487 0.780 10 0 FCAEHM COC(=O)[C@H](CF)[N-]S(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000295152561 214280705 /nfs/dbraw/zinc/28/07/05/214280705.db2.gz AJEBGCBTAFFDIW-VIFPVBQESA-N -1 3 373.811 0.533 10 0 FCAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@H](C)Cn1cncn1 ZINC000295691955 214312752 /nfs/dbraw/zinc/31/27/52/214312752.db2.gz LTHMBIFYSSSASD-BDAKNGLRSA-N -1 3 358.342 0.470 10 0 FCAEHM CCOc1ccncc1S(=O)(=O)[N-][C@@H](CC)CNS(C)(=O)=O ZINC000295699420 214313823 /nfs/dbraw/zinc/31/38/23/214313823.db2.gz JVYMCKZKUNHBAA-JTQLQIEISA-N -1 3 351.450 0.086 10 0 FCAEHM CC(C)(C)OC(=O)N1CCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)C[C@](C)(F)C1 ZINC000295654944 214310754 /nfs/dbraw/zinc/31/07/54/214310754.db2.gz VJQAXZCNFYTXHU-QFYYESIMSA-N -1 3 372.397 0.392 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NCCCc1ccccn1 ZINC000291426476 214033974 /nfs/dbraw/zinc/03/39/74/214033974.db2.gz ZLJDPALJUQCJHE-UHFFFAOYSA-N -1 3 352.416 0.714 10 0 FCAEHM C[C@H]1CCN(C[C@@H](O)C[C@]2(O)CCOC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000930488667 674031502 /nfs/dbraw/zinc/03/15/02/674031502.db2.gz LOBNCQNVXOHKPM-MJDBTJCESA-N -1 3 368.396 0.666 10 0 FCAEHM CNC(=O)[C@@H]([N-]S(=O)(=O)c1cnc2c(Cl)c(C)nn2c1)C(C)C ZINC000331138281 529898587 /nfs/dbraw/zinc/89/85/87/529898587.db2.gz WFGGUQFUXJIZTA-NSHDSACASA-N -1 3 359.839 0.740 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC(CO)(c3ccccc3)C2)c(C)o1 ZINC000412776981 530024586 /nfs/dbraw/zinc/02/45/86/530024586.db2.gz WHDSSTMHZJHZQL-UHFFFAOYSA-N -1 3 364.423 0.882 10 0 FCAEHM COc1ccc(F)cc1CN1CCN(C(=O)CN2CC(=O)[N-]C2=O)CC1 ZINC000265436591 210136193 /nfs/dbraw/zinc/13/61/93/210136193.db2.gz INTHYFHDWVXRFC-UHFFFAOYSA-N -1 3 364.377 0.030 10 0 FCAEHM COc1cccc(N2CCC[C@@H](NC(=O)CC[C@@H]3NC(=O)[N-]C3=O)C2)c1 ZINC000265284670 210086612 /nfs/dbraw/zinc/08/66/12/210086612.db2.gz KJFUPAVZYBMXLJ-DOMZBBRYSA-N -1 3 360.414 0.768 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000264910285 210013053 /nfs/dbraw/zinc/01/30/53/210013053.db2.gz ZDRCDOMIGRTZOV-UHFFFAOYSA-N -1 3 365.336 0.938 10 0 FCAEHM Cc1nc(NC(=O)CN2CC(=O)[N-]C2=O)sc1C1N=NC(=S)N1C ZINC000264868457 210003191 /nfs/dbraw/zinc/00/31/91/210003191.db2.gz QRYBYIQZNURFIJ-UHFFFAOYSA-N -1 3 367.416 0.026 10 0 FCAEHM COC(=O)C[C@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C(=O)OC ZINC000286773653 213538304 /nfs/dbraw/zinc/53/83/04/213538304.db2.gz WOZVMODHHMOPPN-ZETCQYMHSA-N -1 3 370.305 0.483 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1ccc(OCC(F)(F)C(F)F)nc1 ZINC000264738530 209964405 /nfs/dbraw/zinc/96/44/05/209964405.db2.gz GGCGALGEVBYKQW-UHFFFAOYSA-N -1 3 364.255 0.851 10 0 FCAEHM CCNC(=O)C[C@@H]1CCCCN1C(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000285668772 213374168 /nfs/dbraw/zinc/37/41/68/213374168.db2.gz DKGCXXRUBPBXGE-LBPRGKRZSA-N -1 3 373.500 0.934 10 0 FCAEHM COc1cccc([C@H]2[C@H](NC(=O)C[C@@H]3NC(=O)[N-]C3=O)CCN2C2CC2)c1 ZINC000360754658 215369759 /nfs/dbraw/zinc/36/97/59/215369759.db2.gz JZPACECSMZCTIL-VYDXJSESSA-N -1 3 372.425 0.687 10 0 FCAEHM C[C@@H]1CCN(C[C@@H](O)C2(O)CCOCC2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000931077418 674091188 /nfs/dbraw/zinc/09/11/88/674091188.db2.gz WTCWYRAYLZOPOD-GRYCIOLGSA-N -1 3 354.369 0.278 10 0 FCAEHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](CO)C[C@H](O)C(C)(C)C)c1 ZINC000284628626 213183975 /nfs/dbraw/zinc/18/39/75/213183975.db2.gz KPEQKXNHMQNRRA-QWRGUYRKSA-N -1 3 365.473 0.971 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)c(C)o1 ZINC000284122572 213079360 /nfs/dbraw/zinc/07/93/60/213079360.db2.gz OULFAJANOQSCTP-STQMWFEESA-N -1 3 357.432 0.041 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000283986838 213049859 /nfs/dbraw/zinc/04/98/59/213049859.db2.gz AXAQJJBGCPNQCI-CYBMUJFWSA-N -1 3 367.203 0.963 10 0 FCAEHM COC(=O)[C@]12CN(C(=O)c3ccc4c(c3)C(=O)[N-]C4=O)C[C@H]1COCC2 ZINC000366528819 215991721 /nfs/dbraw/zinc/99/17/21/215991721.db2.gz GDYSMYXBAAGPSD-BBATYDOGSA-N -1 3 358.350 0.222 10 0 FCAEHM C[C@H](O)[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)CCO1 ZINC000412906604 237250578 /nfs/dbraw/zinc/25/05/78/237250578.db2.gz CALOWFGIWXJOEF-IUCAKERBSA-N -1 3 368.864 0.288 10 0 FCAEHM C[C@]1(c2ccc(C(=O)N3CCNC[C@H]3C(F)F)cc2)NC(=O)[N-]C1=O ZINC000367997577 216190715 /nfs/dbraw/zinc/19/07/15/216190715.db2.gz MSHMGTYEFDTPIR-MEDUHNTESA-N -1 3 352.341 0.420 10 0 FCAEHM Cc1cc(N2CC[C@H]([N-]S(=O)(=O)N3CCC[C@@H](C)C3)C2=O)n(C)n1 ZINC000246231830 209383723 /nfs/dbraw/zinc/38/37/23/209383723.db2.gz RAEWIXYOURHOJQ-YPMHNXCESA-N -1 3 355.464 0.400 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)N[C@H]1CCc2[nH]cnc2C1 ZINC000368217696 216218747 /nfs/dbraw/zinc/21/87/47/216218747.db2.gz VRCRRNKNIVRUHJ-JTQLQIEISA-N -1 3 352.391 0.501 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)N[C@H]1CCc2nc[nH]c2C1 ZINC000368217696 216218750 /nfs/dbraw/zinc/21/87/50/216218750.db2.gz VRCRRNKNIVRUHJ-JTQLQIEISA-N -1 3 352.391 0.501 10 0 FCAEHM O=C(c1cncn1-c1ccc(F)cc1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000195017990 209332183 /nfs/dbraw/zinc/33/21/83/209332183.db2.gz VYUXZHMMEKXZHH-QGZVFWFLSA-N -1 3 357.345 0.826 10 0 FCAEHM C[C@H](C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O)N1CCc2ccccc2C1 ZINC000194996438 209331902 /nfs/dbraw/zinc/33/19/02/209331902.db2.gz WYTQKIMJQNYICH-BFUOFWGJSA-N -1 3 356.426 0.634 10 0 FCAEHM CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)C[C@@H]3NC(=O)[N-]C3=O)CC[C@H]21 ZINC000368349424 216235959 /nfs/dbraw/zinc/23/59/59/216235959.db2.gz RQPPFGRKNBCDHW-GRYCIOLGSA-N -1 3 366.418 0.442 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)Nc2cccc(-c3nc[nH]n3)c2)c1 ZINC000368548176 216261181 /nfs/dbraw/zinc/26/11/81/216261181.db2.gz JPPFQLQIQFOXCF-UHFFFAOYSA-N -1 3 361.387 0.122 10 0 FCAEHM COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)CN1CC(=O)[N-]C1=O ZINC000369412859 216399807 /nfs/dbraw/zinc/39/98/07/216399807.db2.gz UOKAJAIDVSUTIQ-ZDUSSCGKSA-N -1 3 374.397 0.485 10 0 FCAEHM CC[C@]1(c2ccccc2)NC(=O)N([N-]S(=O)(=O)[C@H]2CCO[C@@H]2C)C1=O ZINC000277679467 212387677 /nfs/dbraw/zinc/38/76/77/212387677.db2.gz JBOQRZPODJDXEX-PVXIVEMSSA-N -1 3 367.427 0.856 10 0 FCAEHM C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1cn(C)c(=O)[n-]c1=O ZINC000277403956 212356871 /nfs/dbraw/zinc/35/68/71/212356871.db2.gz FAXAXXHQUJBNCL-CMPLNLGQSA-N -1 3 366.418 0.861 10 0 FCAEHM COc1nnc(NC(=O)[C@@](C)(O)CN2c3ccccc3C(C)(C)C2=O)[n-]1 ZINC000277457600 212361273 /nfs/dbraw/zinc/36/12/73/212361273.db2.gz YADCOKQZBWHYMU-KRWDZBQOSA-N -1 3 359.386 0.827 10 0 FCAEHM COc1nc(NC(=O)[C@@](C)(O)CN2c3ccccc3C(C)(C)C2=O)n[n-]1 ZINC000277457600 212361277 /nfs/dbraw/zinc/36/12/77/212361277.db2.gz YADCOKQZBWHYMU-KRWDZBQOSA-N -1 3 359.386 0.827 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@@](C)(O)CN2c3ccccc3C(C)(C)C2=O)n1 ZINC000277457600 212361281 /nfs/dbraw/zinc/36/12/81/212361281.db2.gz YADCOKQZBWHYMU-KRWDZBQOSA-N -1 3 359.386 0.827 10 0 FCAEHM C[C@@H](C[S@](C)=O)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000182776581 209136371 /nfs/dbraw/zinc/13/63/71/209136371.db2.gz JNPAWCMWUKSSKN-FRGLDACASA-N -1 3 350.437 0.376 10 0 FCAEHM CCOC(=O)c1cn[n-]c1S(=O)(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000276864744 212299514 /nfs/dbraw/zinc/29/95/14/212299514.db2.gz BUAXSENDBFNXOC-UHFFFAOYSA-N -1 3 352.372 0.434 10 0 FCAEHM CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000276864744 212299518 /nfs/dbraw/zinc/29/95/18/212299518.db2.gz BUAXSENDBFNXOC-UHFFFAOYSA-N -1 3 352.372 0.434 10 0 FCAEHM Cn1cc(CCNC(=O)C2CC3(C2)NC(=O)[N-]C3=O)c2ccc(F)cc21 ZINC000186577281 209192823 /nfs/dbraw/zinc/19/28/23/209192823.db2.gz DXGZGFMDYZXYJC-UHFFFAOYSA-N -1 3 358.373 0.964 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CCC(=O)NCc1ccccn1 ZINC000185782560 209181589 /nfs/dbraw/zinc/18/15/89/209181589.db2.gz SEJYBUACFLLBAE-UHFFFAOYSA-N -1 3 371.850 0.762 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(C[C@H](C)O)[C@H](C)CO ZINC000276260294 212198691 /nfs/dbraw/zinc/19/86/91/212198691.db2.gz FPHIVENASYFUMR-MNOVXSKESA-N -1 3 372.443 0.762 10 0 FCAEHM C[C@H]1OCC[C@@H]1S(=O)(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000276068387 212150997 /nfs/dbraw/zinc/15/09/97/212150997.db2.gz QRJQBKZIQHRWBH-DOMZBBRYSA-N -1 3 354.428 0.657 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCNC(=O)[C@H]1C ZINC000275780276 212090236 /nfs/dbraw/zinc/09/02/36/212090236.db2.gz BHJAKHICCWSGHQ-SECBINFHSA-N -1 3 353.400 0.519 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000374727544 217163442 /nfs/dbraw/zinc/16/34/42/217163442.db2.gz BRRDCIAQUAQSIT-GFCCVEGCSA-N -1 3 372.360 0.067 10 0 FCAEHM Cc1ccc([O-])c(CN2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)n1 ZINC000374806918 217176982 /nfs/dbraw/zinc/17/69/82/217176982.db2.gz NZIDMZAXYZAGFW-AWEZNQCLSA-N -1 3 355.460 0.722 10 0 FCAEHM COc1ccc(C2=NO[C@H](CNC(=O)C[C@@H]3NC(=O)[N-]C3=O)C2)cc1C ZINC000374883133 217185241 /nfs/dbraw/zinc/18/52/41/217185241.db2.gz WMJGURBZAZTBGM-AAEUAGOBSA-N -1 3 360.370 0.211 10 0 FCAEHM CN(C)S(=O)(=O)c1cccc([N-]S(=O)(=O)c2c[nH]c(=O)s2)c1 ZINC000436477993 248041421 /nfs/dbraw/zinc/04/14/21/248041421.db2.gz KJAJQYMQYVOKMT-UHFFFAOYSA-N -1 3 363.442 0.900 10 0 FCAEHM COCC[C@@H](COC)NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436639820 248045753 /nfs/dbraw/zinc/04/57/53/248045753.db2.gz MVJSNFNREAVYKE-HNNXBMFYSA-N -1 3 365.430 0.911 10 0 FCAEHM Cn1ccc(=O)n(CCCNC(=O)c2cc3c(cc2[O-])CCCC3)c1=O ZINC000436789833 248052065 /nfs/dbraw/zinc/05/20/65/248052065.db2.gz FAKVFVAVQYPBRE-UHFFFAOYSA-N -1 3 357.410 0.952 10 0 FCAEHM Cn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436980974 248057449 /nfs/dbraw/zinc/05/74/49/248057449.db2.gz AXKHPHOELBVUFU-HNNXBMFYSA-N -1 3 373.413 0.571 10 0 FCAEHM NC(=O)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cn1 ZINC000439061386 248109165 /nfs/dbraw/zinc/10/91/65/248109165.db2.gz SVXXMBKHVPPSBB-HNNXBMFYSA-N -1 3 368.393 0.807 10 0 FCAEHM COC(=O)CC1([N-]S(=O)(=O)c2cccs2)CCS(=O)(=O)CC1 ZINC000439095487 248109761 /nfs/dbraw/zinc/10/97/61/248109761.db2.gz VEAZXQLFVULSGW-UHFFFAOYSA-N -1 3 367.470 0.537 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]Cc1nncn1C1CC1 ZINC000439206698 248114515 /nfs/dbraw/zinc/11/45/15/248114515.db2.gz RNVNHXVOHJYLQA-UHFFFAOYSA-N -1 3 356.429 0.495 10 0 FCAEHM COC(=O)CC1(NC(=O)c2cccc(C)c2[O-])CCS(=O)(=O)CC1 ZINC000439367067 248123267 /nfs/dbraw/zinc/12/32/67/248123267.db2.gz DVRBXPGREFNKLO-UHFFFAOYSA-N -1 3 355.412 0.941 10 0 FCAEHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCN(C(C)=O)C[C@@H]1C ZINC000440583511 248198392 /nfs/dbraw/zinc/19/83/92/248198392.db2.gz KXPOUMHMVVYVJF-VIFPVBQESA-N -1 3 353.400 0.552 10 0 FCAEHM COCCNC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)[C@H]1CCO[C@@H]1C ZINC000442755101 248295932 /nfs/dbraw/zinc/29/59/32/248295932.db2.gz BTSWUZANLZGNBU-KBMXLJTQSA-N -1 3 370.471 0.457 10 0 FCAEHM CCOC(=O)[C@](C)(O)C[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442753003 248296107 /nfs/dbraw/zinc/29/61/07/248296107.db2.gz NSULGELQEMWRJQ-LLVKDONJSA-N -1 3 356.322 0.693 10 0 FCAEHM Cc1cccc(C(C)C)c1NC(=O)C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000442026539 248271622 /nfs/dbraw/zinc/27/16/22/248271622.db2.gz HBQXTKBMGDVJSE-ZDUSSCGKSA-N -1 3 358.398 0.820 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000452536352 249319211 /nfs/dbraw/zinc/31/92/11/249319211.db2.gz TUOCQIQGPJODRK-LLVKDONJSA-N -1 3 359.304 0.797 10 0 FCAEHM CC[C@@H]1[C@@H](CO)CCN1C(=O)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000452916465 249335622 /nfs/dbraw/zinc/33/56/22/249335622.db2.gz FFFGTWRPIJDJRM-MLGOLLRUSA-N -1 3 357.410 0.877 10 0 FCAEHM COC(=O)[C@H](CC(C)C)N(C)C(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000452919179 249335768 /nfs/dbraw/zinc/33/57/68/249335768.db2.gz DISDXZUIMURFQB-LBPRGKRZSA-N -1 3 374.463 0.053 10 0 FCAEHM CC(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000271381524 211391668 /nfs/dbraw/zinc/39/16/68/211391668.db2.gz OGHQXURLFBYOBT-LBPRGKRZSA-N -1 3 350.350 0.599 10 0 FCAEHM COc1nnc(NC(=O)CSCc2cc(=O)n3ccsc3n2)[n-]1 ZINC000271233200 211360046 /nfs/dbraw/zinc/36/00/46/211360046.db2.gz BPDMLVFBOZRNDB-UHFFFAOYSA-N -1 3 352.401 0.755 10 0 FCAEHM COc1nc(NC(=O)CSCc2cc(=O)n3ccsc3n2)n[n-]1 ZINC000271233200 211360050 /nfs/dbraw/zinc/36/00/50/211360050.db2.gz BPDMLVFBOZRNDB-UHFFFAOYSA-N -1 3 352.401 0.755 10 0 FCAEHM COc1n[n-]c(NC(=O)CSCc2cc(=O)n3ccsc3n2)n1 ZINC000271233200 211360054 /nfs/dbraw/zinc/36/00/54/211360054.db2.gz BPDMLVFBOZRNDB-UHFFFAOYSA-N -1 3 352.401 0.755 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCc2c(ncn2CCc2ccccc2)C1 ZINC000271284060 211370333 /nfs/dbraw/zinc/37/03/33/211370333.db2.gz LDGCUVZPWRWQJL-UHFFFAOYSA-N -1 3 367.409 0.562 10 0 FCAEHM CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000270868303 211286105 /nfs/dbraw/zinc/28/61/05/211286105.db2.gz JFIKAGJXMFEQJQ-MNOVXSKESA-N -1 3 356.423 0.640 10 0 FCAEHM CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000270704360 211251341 /nfs/dbraw/zinc/25/13/41/211251341.db2.gz AHWJMVHORFTAIB-QWRGUYRKSA-N -1 3 354.407 0.490 10 0 FCAEHM CC(C)(C)OC(=O)N(CCCNC(=O)C[C@@H]1NC(=O)[N-]C1=O)C1CC1 ZINC000270730148 211257242 /nfs/dbraw/zinc/25/72/42/211257242.db2.gz PGJKFMFGFVGYKL-NSHDSACASA-N -1 3 354.407 0.490 10 0 FCAEHM Cc1c(Cl)cccc1NC(=O)CCNC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000270729165 211256387 /nfs/dbraw/zinc/25/63/87/211256387.db2.gz UBVWSIQUSYQKAM-NSHDSACASA-N -1 3 352.778 0.691 10 0 FCAEHM C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000270641826 211239135 /nfs/dbraw/zinc/23/91/35/211239135.db2.gz YIBQVEXWSPRTKP-ZBFHGGJFSA-N -1 3 374.441 0.334 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000270616382 211235033 /nfs/dbraw/zinc/23/50/33/211235033.db2.gz RZHVZNPUVUAGKA-KGLIPLIRSA-N -1 3 358.398 0.396 10 0 FCAEHM CCOCCCNC(=O)c1cccc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)c1 ZINC000270611272 211233209 /nfs/dbraw/zinc/23/32/09/211233209.db2.gz QPZWHBHAMRPKKN-ZDUSSCGKSA-N -1 3 362.386 0.380 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1ccc(NC[C@@H]2CCCO2)c(F)c1 ZINC000270571392 211225407 /nfs/dbraw/zinc/22/54/07/211225407.db2.gz HFBONWZYHOFGDO-GWCFXTLKSA-N -1 3 350.350 0.953 10 0 FCAEHM COC(=O)[C@H]1CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)[C@H]1C ZINC000470066169 250024441 /nfs/dbraw/zinc/02/44/41/250024441.db2.gz MPBSUZKHPGANIE-SRVKXCTJSA-N -1 3 372.418 0.903 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1C[C@@H](C)O[C@H](CO)C1 ZINC000470928767 250076779 /nfs/dbraw/zinc/07/67/79/250076779.db2.gz HARIBJMPPRUYFB-MNOVXSKESA-N -1 3 370.427 0.780 10 0 FCAEHM CNC(=O)CCOc1ccc(NC(=O)C(=O)NCc2ncccc2[O-])cc1 ZINC000473037746 250194752 /nfs/dbraw/zinc/19/47/52/250194752.db2.gz ROBITPYAXLSUFB-UHFFFAOYSA-N -1 3 372.381 0.557 10 0 FCAEHM Cc1ccc(NC(=O)C(=O)NCc2ncccc2[O-])cc1N1CCNC1=O ZINC000473038457 250195504 /nfs/dbraw/zinc/19/55/04/250195504.db2.gz TZYMGSBJRYCDJF-UHFFFAOYSA-N -1 3 369.381 0.880 10 0 FCAEHM Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)NCc1ncccc1[O-] ZINC000473032408 250195675 /nfs/dbraw/zinc/19/56/75/250195675.db2.gz CROMHKRCNITVJZ-UHFFFAOYSA-N -1 3 363.395 0.754 10 0 FCAEHM Cn1c(=O)ccc2ccc(NC(=O)C(=O)NCc3ncccc3[O-])cc21 ZINC000473055359 250196483 /nfs/dbraw/zinc/19/64/83/250196483.db2.gz XPEPTCFEOLAQQA-UHFFFAOYSA-N -1 3 352.350 0.894 10 0 FCAEHM Cc1cc(NC(=O)C(=O)NCc2ncccc2[O-])n(Cc2ccccn2)n1 ZINC000473055410 250197224 /nfs/dbraw/zinc/19/72/24/250197224.db2.gz YCNHYHOSNLWRMK-UHFFFAOYSA-N -1 3 366.381 0.990 10 0 FCAEHM O=C(NCc1ncccc1[O-])C(=O)Nc1ccccc1CN1CCNC1=O ZINC000473064764 250197739 /nfs/dbraw/zinc/19/77/39/250197739.db2.gz KLRJQMYBCMAPTR-UHFFFAOYSA-N -1 3 369.381 0.567 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]CCNS(=O)(=O)c2ccccc2)c1 ZINC000474036209 250265796 /nfs/dbraw/zinc/26/57/96/250265796.db2.gz VPKDHSIIZVKUAR-UHFFFAOYSA-N -1 3 358.445 0.160 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]Cc2cccc(S(=O)(=O)NC)c2)c1 ZINC000474056604 250267342 /nfs/dbraw/zinc/26/73/42/250267342.db2.gz NUOGHEAOAZDRDY-UHFFFAOYSA-N -1 3 358.445 0.290 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]CCNC(=O)Cc2cccc(F)c2)c1 ZINC000474101013 250269539 /nfs/dbraw/zinc/26/95/39/250269539.db2.gz ZMPHVCYXVBHVTI-UHFFFAOYSA-N -1 3 354.407 0.679 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@@H](CO)[C@H]1CCOC1 ZINC000481611089 250346049 /nfs/dbraw/zinc/34/60/49/250346049.db2.gz RLRZRROXFYJXIW-RYUDHWBXSA-N -1 3 363.457 0.013 10 0 FCAEHM CN(Cc1cnccn1)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000269701832 211050371 /nfs/dbraw/zinc/05/03/71/211050371.db2.gz RKADKFJKSGZGNX-UHFFFAOYSA-N -1 3 355.445 0.658 10 0 FCAEHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CCCN1CCOC1=O ZINC000269695487 211047903 /nfs/dbraw/zinc/04/79/03/211047903.db2.gz YJQWXPCUQOWPKZ-UHFFFAOYSA-N -1 3 360.363 0.733 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCC1(CO)CCOCC1 ZINC000269641244 211030736 /nfs/dbraw/zinc/03/07/36/211030736.db2.gz WPESORIDSIXTSJ-LBPRGKRZSA-N -1 3 374.434 0.398 10 0 FCAEHM COC(=O)[C@@H]1CC[C@H](C(=O)NCC[N-]S(=O)(=O)c2cccs2)C1 ZINC000412210331 532955896 /nfs/dbraw/zinc/95/58/96/532955896.db2.gz ZEJAPNQCCCYQJS-WDEREUQCSA-N -1 3 360.457 0.732 10 0 FCAEHM COc1ccc2c(c1)[n-]cc(C(=O)NC[C@@H](C)N1CCN(C)CC1)c2=O ZINC000077615576 208072100 /nfs/dbraw/zinc/07/21/00/208072100.db2.gz OUHSMWDANTYQFS-CYBMUJFWSA-N -1 3 358.442 0.902 10 0 FCAEHM CN1CC[C@H](NC(=O)CN2CC(=O)[N-]C2=O)[C@@H]1c1ccc(Cl)cc1 ZINC000089997221 208129107 /nfs/dbraw/zinc/12/91/07/208129107.db2.gz JOZROGUJZWXJJP-WFASDCNBSA-N -1 3 350.806 0.753 10 0 FCAEHM CN(Cc1ccc(Cl)nc1)C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000088644200 208120170 /nfs/dbraw/zinc/12/01/70/208120170.db2.gz WDUJAFPVZWIYDH-UHFFFAOYSA-N -1 3 357.823 0.405 10 0 FCAEHM CC(C)N1CCO[C@@H](CN2CCN(Cc3cc(=O)n4[n-]ccc4n3)CC2)C1 ZINC000108867515 208250000 /nfs/dbraw/zinc/25/00/00/208250000.db2.gz GGODSMVOICTZTJ-KRWDZBQOSA-N -1 3 374.489 0.249 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCN(CCN(C)C)CC1 ZINC000114676349 208314868 /nfs/dbraw/zinc/31/48/68/208314868.db2.gz IKDXBWVPVLYWGC-UHFFFAOYSA-N -1 3 368.503 0.768 10 0 FCAEHM Cc1cc(C[C@H](C)NC(=O)CN2CC(=O)[N-]C2=O)n(-c2ccccc2)n1 ZINC000119014136 208352986 /nfs/dbraw/zinc/35/29/86/208352986.db2.gz VEJLWPKHOPHYIX-LBPRGKRZSA-N -1 3 355.398 0.780 10 0 FCAEHM Cc1noc(CCNC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)n1 ZINC000119698595 208369090 /nfs/dbraw/zinc/36/90/90/208369090.db2.gz XIKYEZMLQFLQJT-VIFPVBQESA-N -1 3 356.379 0.543 10 0 FCAEHM COc1cc(CN(C)C(=O)CN2CC(=O)[N-]C2=O)c(SC)cc1OC ZINC000266072033 210276252 /nfs/dbraw/zinc/27/62/52/210276252.db2.gz XJSOXJIGBUJIDF-UHFFFAOYSA-N -1 3 367.427 0.936 10 0 FCAEHM CN1CCN([C@@H]2CCCCN(C(=O)c3ccc4c(c3)C(=O)[N-]C4=O)C2)CC1 ZINC000176673384 209007589 /nfs/dbraw/zinc/00/75/89/209007589.db2.gz AMFYEKKEBMNUES-OAHLLOKOSA-N -1 3 370.453 0.812 10 0 FCAEHM Cn1ncc2c1ncc(C(=O)NC1CCN(c3ncccn3)CC1)c2[O-] ZINC000179430504 209079218 /nfs/dbraw/zinc/07/92/18/209079218.db2.gz WJARZLPYACRPEN-UHFFFAOYSA-N -1 3 353.386 0.863 10 0 FCAEHM O=C([N-]c1cnns1)C(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000192050491 229263908 /nfs/dbraw/zinc/26/39/08/229263908.db2.gz HBNAWGOZOQUXCP-MRVPVSSYSA-N -1 3 352.807 0.920 10 0 FCAEHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c1 ZINC000363705109 488876279 /nfs/dbraw/zinc/87/62/79/488876279.db2.gz ZELDODXRNXDHCP-IRUJWGPZSA-N -1 3 370.402 0.900 10 0 FCAEHM O=C1[N-]C(=O)[C@]2(CCCN(S(=O)(=O)Cc3cccc4cccnc43)C2)N1 ZINC000278601500 488884458 /nfs/dbraw/zinc/88/44/58/488884458.db2.gz BZDQUKIIULVVHO-QGZVFWFLSA-N -1 3 374.422 0.739 10 0 FCAEHM CCS(=O)(=O)CC[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000290763064 489163942 /nfs/dbraw/zinc/16/39/42/489163942.db2.gz NRBDRUGLHUAFSR-UHFFFAOYSA-N -1 3 353.418 0.396 10 0 FCAEHM Cc1cccc(OCCNC(=O)[C@H](C)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000279002286 488910170 /nfs/dbraw/zinc/91/01/70/488910170.db2.gz CWQXRQGNLLWHPA-IFXJQAMLSA-N -1 3 374.441 0.553 10 0 FCAEHM O=C1[N-]C(=O)[C@]2(CCCN(CCS(=O)(=O)c3ccc(F)cc3)C2)N1 ZINC000279091831 488916870 /nfs/dbraw/zinc/91/68/70/488916870.db2.gz NRAYXGQZSPEDSH-OAHLLOKOSA-N -1 3 355.391 0.273 10 0 FCAEHM O=C1[N-]C(=O)[C@@]2(CCCN(Cc3nc(Cc4cccc(F)c4)no3)C2)N1 ZINC000279095163 488916919 /nfs/dbraw/zinc/91/69/19/488916919.db2.gz PWMFWTBXWCGQOS-KRWDZBQOSA-N -1 3 359.361 0.974 10 0 FCAEHM COCc1ccccc1CNC(=O)CN1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279102094 488917475 /nfs/dbraw/zinc/91/74/75/488917475.db2.gz REPLUSAWYDWTDT-SFHVURJKSA-N -1 3 360.414 0.123 10 0 FCAEHM CCOc1cccc(CNC(=O)CN2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000279118138 488918346 /nfs/dbraw/zinc/91/83/46/488918346.db2.gz UHMCJFHJMSRTLP-GOSISDBHSA-N -1 3 360.414 0.376 10 0 FCAEHM COC(=O)c1ccc(NC(=O)CN2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000279119415 488918925 /nfs/dbraw/zinc/91/89/25/488918925.db2.gz UMUCKGDPCFTKQM-KRWDZBQOSA-N -1 3 360.370 0.086 10 0 FCAEHM CN(CC(=O)[O-])C[C@@H]1CN(C(=O)c2cc3c(c(Cl)c2)OCO3)CCO1 ZINC000328602718 488922712 /nfs/dbraw/zinc/92/27/12/488922712.db2.gz CLGGAVDFRJHOFY-LLVKDONJSA-N -1 3 370.789 0.926 10 0 FCAEHM C[C@@H]1CC[C@H](C(=O)N2CC[C@@H](N(C)Cc3cc(=O)[n-]c(N(C)C)n3)C2)O1 ZINC000328629290 488924946 /nfs/dbraw/zinc/92/49/46/488924946.db2.gz ICTXYKOMBIVAME-BPLDGKMQSA-N -1 3 363.462 0.848 10 0 FCAEHM O=C(CCOCC(F)(F)C(F)(F)F)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000364189821 488933039 /nfs/dbraw/zinc/93/30/39/488933039.db2.gz ONTVLYDGABKXSZ-NSHDSACASA-N -1 3 373.278 0.791 10 0 FCAEHM CCNC(=O)N1CC[C@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000288062006 488939158 /nfs/dbraw/zinc/93/91/58/488939158.db2.gz IZYDANSXTJADNE-QMMMGPOBSA-N -1 3 350.803 0.956 10 0 FCAEHM Cc1ccc(N2C[C@H](C(=O)N3CCC[C@]4(C3)NC(=O)[N-]C4=O)CC2=O)cc1 ZINC000279429522 488941401 /nfs/dbraw/zinc/94/14/01/488941401.db2.gz JALBSPFQUQXMEQ-BFUOFWGJSA-N -1 3 370.409 0.549 10 0 FCAEHM O=C(c1cccc(OCC(F)F)n1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279380095 488937290 /nfs/dbraw/zinc/93/72/90/488937290.db2.gz FLAPIFPYCIBXNB-HNNXBMFYSA-N -1 3 354.313 0.540 10 0 FCAEHM COC(=O)[C@@]1([N-]S(=O)(=O)c2cccnc2C(F)(F)F)CCOC1 ZINC000288098865 488943360 /nfs/dbraw/zinc/94/33/60/488943360.db2.gz KVKSCRNKBREBDZ-LLVKDONJSA-N -1 3 354.306 0.711 10 0 FCAEHM O=C(CSCC(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O)c1ccccc1 ZINC000279464911 488944446 /nfs/dbraw/zinc/94/44/46/488944446.db2.gz LJSNZFWWXSMYLF-QGZVFWFLSA-N -1 3 361.423 0.803 10 0 FCAEHM COC(=O)c1ccc(C=CC(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000279514869 488948705 /nfs/dbraw/zinc/94/87/05/488948705.db2.gz OZXWAMKXYVIRJN-KRZKXXONSA-N -1 3 357.366 0.687 10 0 FCAEHM C[C@]1(C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)Cc2ccccc2C(=O)O1 ZINC000279513419 488949035 /nfs/dbraw/zinc/94/90/35/488949035.db2.gz OXDSPVFKNOQPIZ-MSOLQXFVSA-N -1 3 357.366 0.359 10 0 FCAEHM COc1ccc2c(c1)C[C@@H](C(=O)N1CCC[C@@]3(C1)NC(=O)[N-]C3=O)CO2 ZINC000279531760 488950648 /nfs/dbraw/zinc/95/06/48/488950648.db2.gz QFRMDBDWQFFXKO-XIKOKIGWSA-N -1 3 359.382 0.447 10 0 FCAEHM C[C@@H]1C(=O)Nc2cc(C(=O)N3CCC[C@@]4(C3)NC(=O)[N-]C4=O)ccc2N1C ZINC000279582581 488953936 /nfs/dbraw/zinc/95/39/36/488953936.db2.gz UMYNSMUUSRIFBQ-MGNBDDOMSA-N -1 3 371.397 0.278 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)NCC(=O)NCc1ccco1 ZINC000024180576 487642608 /nfs/dbraw/zinc/64/26/08/487642608.db2.gz WYNWRIFVJMQRHZ-UHFFFAOYSA-N -1 3 371.440 0.442 10 0 FCAEHM CNC(=O)[C@@H]1CCCCN1C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000033210782 487793741 /nfs/dbraw/zinc/79/37/41/487793741.db2.gz ZPOAYRGUETYPCE-AAEUAGOBSA-N -1 3 371.434 0.620 10 0 FCAEHM COc1cc([C@H](C)NC(=O)C[C@@H]2NC(=O)[N-]C2=O)cc(OC)c1OC ZINC000046924150 488000688 /nfs/dbraw/zinc/00/06/88/488000688.db2.gz QKQXCHLNTSSCMH-WPRPVWTQSA-N -1 3 351.359 0.488 10 0 FCAEHM CCN(C1CC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1c(C)n[nH]c1C ZINC000349515248 489305504 /nfs/dbraw/zinc/30/55/04/489305504.db2.gz GOTPFZVALLRSPH-UHFFFAOYSA-N -1 3 364.493 0.972 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000056209101 488254378 /nfs/dbraw/zinc/25/43/78/488254378.db2.gz LJXGLPWDSBVIKT-UWVGGRQHSA-N -1 3 368.187 0.987 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)C(=O)NC(C)(C)C ZINC000065971651 488323636 /nfs/dbraw/zinc/32/36/36/488323636.db2.gz GPQWHOHVIAOLHW-SNVBAGLBSA-N -1 3 362.473 0.672 10 0 FCAEHM C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000068100365 488360619 /nfs/dbraw/zinc/36/06/19/488360619.db2.gz RTGCSLQMOYSLGM-NWDGAFQWSA-N -1 3 371.434 0.607 10 0 FCAEHM C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000068100955 488360745 /nfs/dbraw/zinc/36/07/45/488360745.db2.gz SJKSSZBSMMMMKH-GHMZBOCLSA-N -1 3 359.473 0.529 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCO[C@@H](c3ccsc3)C2)c1 ZINC000268220994 488398052 /nfs/dbraw/zinc/39/80/52/488398052.db2.gz MCABCRUMPIOGIH-GFCCVEGCSA-N -1 3 370.456 0.360 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C)Cc2c(C)nn(C)c2C)cn1 ZINC000184934986 488398827 /nfs/dbraw/zinc/39/88/27/488398827.db2.gz FIEURAQYFMBGAW-SNVBAGLBSA-N -1 3 365.459 0.701 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]CC2([S@@](C)=O)CC2)on1 ZINC000599299475 492156574 /nfs/dbraw/zinc/15/65/74/492156574.db2.gz KEFJTJOMYJTGDY-OAQYLSRUSA-N -1 3 350.418 0.182 10 0 FCAEHM CCNC(=O)N1CC[C@H](NC(=O)CCNC(=O)c2ccc(C)cc2[O-])C1 ZINC000268474193 488422309 /nfs/dbraw/zinc/42/23/09/488422309.db2.gz CHDVOIZEHPDSEV-ZDUSSCGKSA-N -1 3 362.430 0.741 10 0 FCAEHM CCNC(=O)N1CC[C@@H](NC(=O)CCNC(=O)c2ccc(C)cc2[O-])C1 ZINC000268474192 488422435 /nfs/dbraw/zinc/42/24/35/488422435.db2.gz CHDVOIZEHPDSEV-CYBMUJFWSA-N -1 3 362.430 0.741 10 0 FCAEHM CCNC(=O)N1CC[C@H](NC(=O)c2cc(S(=O)(=O)[N-]C)oc2C)C1 ZINC000268509584 488425905 /nfs/dbraw/zinc/42/59/05/488425905.db2.gz XGENPSKTZPDJLV-JTQLQIEISA-N -1 3 358.420 0.030 10 0 FCAEHM CC(C)Cn1ccnc1NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000194959144 488435072 /nfs/dbraw/zinc/43/50/72/488435072.db2.gz ZCXMSIBDSYCCQE-UHFFFAOYSA-N -1 3 370.207 0.790 10 0 FCAEHM CC(=O)N1CCN(C(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)[C@H](C)C1 ZINC000268711463 488444305 /nfs/dbraw/zinc/44/43/05/488444305.db2.gz IIKXGEXQHICDKM-GHMZBOCLSA-N -1 3 359.473 0.494 10 0 FCAEHM CCN1CCN(c2ccc(C(=O)NCCCc3n[nH]c(=O)[n-]3)cc2)CC1 ZINC000081815245 488444633 /nfs/dbraw/zinc/44/46/33/488444633.db2.gz ASFHTIOAIKEQMH-UHFFFAOYSA-N -1 3 358.446 0.603 10 0 FCAEHM CC(=O)N1CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)[C@@H](C)C1 ZINC000268738186 488446194 /nfs/dbraw/zinc/44/61/94/488446194.db2.gz LXSNJFDMSFBTSE-RYUDHWBXSA-N -1 3 371.434 0.572 10 0 FCAEHM CC(=O)N1CCN(C(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)[C@H](C)C1 ZINC000268766835 488448487 /nfs/dbraw/zinc/44/84/87/488448487.db2.gz RGYNLJZYWLOGOY-GFCCVEGCSA-N -1 3 370.409 0.749 10 0 FCAEHM CC(C)C1CCC(N2CCN(C(=O)CN3CC(=O)[N-]C3=O)CC2)CC1 ZINC000084620921 488450090 /nfs/dbraw/zinc/45/00/90/488450090.db2.gz WSFVJEFDKHZVTO-UHFFFAOYSA-N -1 3 350.463 0.897 10 0 FCAEHM C[C@H]1CCN(C(=O)CC[N-]S(=O)(=O)c2ccc(F)c(F)c2)C[C@@H]1O ZINC000089406337 488457163 /nfs/dbraw/zinc/45/71/63/488457163.db2.gz KALOBMMZTXOKDI-HZMBPMFUSA-N -1 3 362.398 0.863 10 0 FCAEHM COCCCS(=O)(=O)[N-]CC(=O)Nc1ccccc1C(=O)NC(C)C ZINC000269297482 488488405 /nfs/dbraw/zinc/48/84/05/488488405.db2.gz IBFIPFCAYLMAAQ-UHFFFAOYSA-N -1 3 371.459 0.719 10 0 FCAEHM COCc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1cc(Cl)cnc1N ZINC000097020807 488492172 /nfs/dbraw/zinc/49/21/72/488492172.db2.gz ADVWELFHJGMYHG-SECBINFHSA-N -1 3 372.838 0.869 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)CSCC(=O)N2CCOCC2)n[n-]1 ZINC000269385628 488497760 /nfs/dbraw/zinc/49/77/60/488497760.db2.gz OZEOVSIENNLXGE-UHFFFAOYSA-N -1 3 364.431 0.341 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)CSCC(=O)N2CCOCC2)[n-]n1 ZINC000269385628 488497762 /nfs/dbraw/zinc/49/77/62/488497762.db2.gz OZEOVSIENNLXGE-UHFFFAOYSA-N -1 3 364.431 0.341 10 0 FCAEHM O=C(Cc1c[nH]c(=O)[n-]c1=O)N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 ZINC000253535080 488521037 /nfs/dbraw/zinc/52/10/37/488521037.db2.gz GYZHGJMGXZSEEW-HACGYAERSA-N -1 3 371.393 0.994 10 0 FCAEHM Cc1noc(CCNC(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)n1 ZINC000109539847 488523473 /nfs/dbraw/zinc/52/34/73/488523473.db2.gz WSUYOYYVDKDFKD-UHFFFAOYSA-N -1 3 355.354 0.721 10 0 FCAEHM CS(=O)(=O)N[C@H]1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000116892279 488549734 /nfs/dbraw/zinc/54/97/34/488549734.db2.gz WLQVXAMPPYRXDB-JTQLQIEISA-N -1 3 362.411 0.793 10 0 FCAEHM C[C@@H]1[C@H](C)N(C(=O)C[C@@H]2NC(=O)[N-]C2=O)CCN1C(=O)OC(C)(C)C ZINC000272025027 488559237 /nfs/dbraw/zinc/55/92/37/488559237.db2.gz NQKWVHDPUPXGSQ-AXFHLTTASA-N -1 3 354.407 0.441 10 0 FCAEHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]C[C@H]2COCCN2C)s1 ZINC000599454145 492175005 /nfs/dbraw/zinc/17/50/05/492175005.db2.gz IMLZUGXRDDOLGV-VIFPVBQESA-N -1 3 364.445 0.152 10 0 FCAEHM COc1nnc(NC(=O)CCCNC2=NS(=O)(=O)c3ccccc32)[n-]1 ZINC000272424010 488580125 /nfs/dbraw/zinc/58/01/25/488580125.db2.gz GVILWFLYPRTITC-UHFFFAOYSA-N -1 3 364.387 0.271 10 0 FCAEHM COc1nc(NC(=O)CCCNC2=NS(=O)(=O)c3ccccc32)n[n-]1 ZINC000272424010 488580127 /nfs/dbraw/zinc/58/01/27/488580127.db2.gz GVILWFLYPRTITC-UHFFFAOYSA-N -1 3 364.387 0.271 10 0 FCAEHM COc1n[n-]c(NC(=O)CCCNC2=NS(=O)(=O)c3ccccc32)n1 ZINC000272424010 488580129 /nfs/dbraw/zinc/58/01/29/488580129.db2.gz GVILWFLYPRTITC-UHFFFAOYSA-N -1 3 364.387 0.271 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@@H]1COc2ccccc21 ZINC000123457096 488585243 /nfs/dbraw/zinc/58/52/43/488585243.db2.gz SHIFZGXOYDLVRK-SNVBAGLBSA-N -1 3 366.171 0.549 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)NCc2ccn(C3CCCC3)n2)c1 ZINC000123931465 488589030 /nfs/dbraw/zinc/58/90/30/488589030.db2.gz LJMGCPHGUQPONI-UHFFFAOYSA-N -1 3 366.447 0.326 10 0 FCAEHM COc1cc(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)ccc1[O-] ZINC000272635167 488594122 /nfs/dbraw/zinc/59/41/22/488594122.db2.gz WCCFBAUYGYDCGY-UHFFFAOYSA-N -1 3 363.414 0.017 10 0 FCAEHM C[C@@]1(c2ccc(CNC(=O)[C@@H]3CC(F)(F)CN3)cc2)NC(=O)[N-]C1=O ZINC000263223667 488606512 /nfs/dbraw/zinc/60/65/12/488606512.db2.gz MLJYZZCTQCBNDI-NHYWBVRUSA-N -1 3 352.341 0.355 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC[C@H](O)C(F)(F)C1 ZINC000617816163 492193248 /nfs/dbraw/zinc/19/32/48/492193248.db2.gz NWHGYZVWXAPEKZ-IUCAKERBSA-N -1 3 354.400 0.643 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)NC[C@@H](CO)c1ccccc1 ZINC000127133492 488614816 /nfs/dbraw/zinc/61/48/16/488614816.db2.gz AMHYPAXGLOWJKT-ZDUSSCGKSA-N -1 3 354.453 0.919 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)c1cnn2c1CCCC2 ZINC000127706166 488619258 /nfs/dbraw/zinc/61/92/58/488619258.db2.gz WLZIDLHUBWRHKT-UHFFFAOYSA-N -1 3 354.457 0.989 10 0 FCAEHM C[C@@H](Cn1cncn1)NC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000263786536 488626851 /nfs/dbraw/zinc/62/68/51/488626851.db2.gz XLYIVJLDUQMQOE-ZDUSSCGKSA-N -1 3 358.402 0.540 10 0 FCAEHM C[C@H](CO[N-]C(=O)CCC[C@@]1(C)NC(=O)NC1=O)NC(=O)OC(C)(C)C ZINC000273101213 488631708 /nfs/dbraw/zinc/63/17/08/488631708.db2.gz PPSHBEFJYPWGEU-QLJPJBMISA-N -1 3 372.422 0.716 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CCN(CC(F)F)CC1 ZINC000130028819 488635594 /nfs/dbraw/zinc/63/55/94/488635594.db2.gz FRJGQMPCNHXMBW-UHFFFAOYSA-N -1 3 367.443 0.826 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCCCCN1CCOCC1 ZINC000130167855 488636071 /nfs/dbraw/zinc/63/60/71/488636071.db2.gz PQTMUZJSMXMMGF-UHFFFAOYSA-N -1 3 373.457 0.981 10 0 FCAEHM CCC(=O)N1CSC[C@@H]1C(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000263929411 488636739 /nfs/dbraw/zinc/63/67/39/488636739.db2.gz CAOGWQIQKMASJF-CQSZACIVSA-N -1 3 365.455 0.940 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCN(CC)C(=O)C1 ZINC000273281269 488641922 /nfs/dbraw/zinc/64/19/22/488641922.db2.gz AJUKUVDBROIZKJ-UHFFFAOYSA-N -1 3 367.427 0.862 10 0 FCAEHM CCN1CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)CC1=O ZINC000273423447 488649872 /nfs/dbraw/zinc/64/98/72/488649872.db2.gz RZYGABHEOWTOLL-NSHDSACASA-N -1 3 357.407 0.183 10 0 FCAEHM CCc1c(C(=O)[N-]c2nnc(C)s2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000132330843 488652457 /nfs/dbraw/zinc/65/24/57/488652457.db2.gz ZIPLCNXXUDKEIT-UHFFFAOYSA-N -1 3 360.399 0.607 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000132390123 488653036 /nfs/dbraw/zinc/65/30/36/488653036.db2.gz YYWSOFZMBFZJRK-GHMZBOCLSA-N -1 3 372.219 0.469 10 0 FCAEHM O=C(CC[C@H]1NC(=O)[N-]C1=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000134168101 488665128 /nfs/dbraw/zinc/66/51/28/488665128.db2.gz URMFBNKPNIXTBD-BXKDBHETSA-N -1 3 352.341 0.648 10 0 FCAEHM Cc1nc(CNC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)no1 ZINC000135007446 488670563 /nfs/dbraw/zinc/67/05/63/488670563.db2.gz HCILPRPULXOICU-UHFFFAOYSA-N -1 3 350.809 0.688 10 0 FCAEHM COCCCS(=O)(=O)[N-]Cc1nc(Cc2ccc3c(c2)OCO3)no1 ZINC000273792153 488671510 /nfs/dbraw/zinc/67/15/10/488671510.db2.gz UNOCRIJLNNCLLR-UHFFFAOYSA-N -1 3 369.399 0.845 10 0 FCAEHM C[C@H]([N-]S(C)(=O)=O)c1nc(-c2cc(N3CCN(C)CC3)ccn2)no1 ZINC000273828583 488672644 /nfs/dbraw/zinc/67/26/44/488672644.db2.gz LPEDYMNMJRPEKY-NSHDSACASA-N -1 3 366.447 0.494 10 0 FCAEHM COCCN(CCOC)S(=O)(=O)[N-][C@H]1CCN(c2ccccc2)C1=O ZINC000264572078 488686714 /nfs/dbraw/zinc/68/67/14/488686714.db2.gz ZWIIZMUVVUWPJP-HNNXBMFYSA-N -1 3 371.459 0.221 10 0 FCAEHM COc1ccc(C2(CNC(=O)CN3CC(=O)[N-]C3=O)CCOCC2)cc1 ZINC000264634167 488692446 /nfs/dbraw/zinc/69/24/46/488692446.db2.gz ORRHHPCKCSMGPI-UHFFFAOYSA-N -1 3 361.398 0.411 10 0 FCAEHM COCCCS(=O)(=O)[N-]CC(=O)Nc1nc2c(cccc2OC)n1C ZINC000274651352 488725220 /nfs/dbraw/zinc/72/52/20/488725220.db2.gz WWASCBNTZINFRE-UHFFFAOYSA-N -1 3 370.431 0.476 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](C(C)(C)C)[C@H](O)C2)cn1 ZINC000274680610 488726863 /nfs/dbraw/zinc/72/68/63/488726863.db2.gz JPSZKPWTMNTNPF-QWHCGFSZSA-N -1 3 355.460 0.859 10 0 FCAEHM C[C@H](Cn1cncn1)NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000153858144 488735658 /nfs/dbraw/zinc/73/56/58/488735658.db2.gz CQOKBBLGDXTGIY-MRVPVSSYSA-N -1 3 363.852 0.476 10 0 FCAEHM COc1cccc(N2CCC[C@H](NC(=O)c3[nH]c(=O)[n-]c(=O)c3N)C2)c1 ZINC000266919407 488743855 /nfs/dbraw/zinc/74/38/55/488743855.db2.gz VTLVOKMJQWXMOJ-JTQLQIEISA-N -1 3 359.386 0.877 10 0 FCAEHM Cc1cccc(N2CCN(C(=O)C3CC4(C3)NC(=O)[N-]C4=O)CC2)c1C ZINC000154571657 488744622 /nfs/dbraw/zinc/74/46/22/488744622.db2.gz OFNYXHPBRIJBJL-UHFFFAOYSA-N -1 3 356.426 0.940 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2Cn2ccnc2C)co1 ZINC000155148659 488751602 /nfs/dbraw/zinc/75/16/02/488751602.db2.gz FQVOECIIYRPSIQ-ZDUSSCGKSA-N -1 3 352.416 0.997 10 0 FCAEHM C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1C(=O)CN1CC(=O)[N-]C1=O ZINC000275104315 488761973 /nfs/dbraw/zinc/76/19/73/488761973.db2.gz FLBCQRDBVGTIKX-PHIMTYICSA-N -1 3 354.407 0.395 10 0 FCAEHM COc1cc(OC)c(S(=O)(=O)[N-]C[C@@H](O)C(F)(F)F)c(OC)c1 ZINC000275118705 488763029 /nfs/dbraw/zinc/76/30/29/488763029.db2.gz XUWDPAOFCGQXKZ-SNVBAGLBSA-N -1 3 359.322 0.914 10 0 FCAEHM CCOC(=O)C1(O)CCN(C(=O)CNC(=O)c2cccc([O-])c2)CC1 ZINC000275149568 488766771 /nfs/dbraw/zinc/76/67/71/488766771.db2.gz NSFCSUBBYZFHSG-UHFFFAOYSA-N -1 3 350.371 0.039 10 0 FCAEHM O=C(N[C@H]1CCCN(c2cccc(F)c2)C1)C1CC2(C1)NC(=O)[N-]C2=O ZINC000158567810 488778951 /nfs/dbraw/zinc/77/89/51/488778951.db2.gz WKYJIFPTOCCAEY-HLZQHVJHSA-N -1 3 360.389 0.899 10 0 FCAEHM C[C@H]1COCC[C@H]1NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000278032580 488797059 /nfs/dbraw/zinc/79/70/59/488797059.db2.gz XCGAFJIPGPGPTR-JOYOIKCWSA-N -1 3 366.436 0.901 10 0 FCAEHM Cc1cc(C[C@H](C)NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)[nH]n1 ZINC000162033273 488800336 /nfs/dbraw/zinc/80/03/36/488800336.db2.gz OXNIILODMBHCEH-ZETCQYMHSA-N -1 3 370.207 0.078 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCN(CCOC)CC2)c(C)o1 ZINC000267644469 488808825 /nfs/dbraw/zinc/80/88/25/488808825.db2.gz ZMCNJYKAWYPGNF-UHFFFAOYSA-N -1 3 359.448 0.290 10 0 FCAEHM C[C@@H](CO[C@@H]1CCOC1)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000267947662 488830465 /nfs/dbraw/zinc/83/04/65/488830465.db2.gz JOJDQQUZYSMUBB-RWMBFGLXSA-N -1 3 374.434 0.803 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCC(=O)N(C)C2)cc(F)c1F ZINC000268060055 488837280 /nfs/dbraw/zinc/83/72/80/488837280.db2.gz XZYFDWRXTFEKJN-MRVPVSSYSA-N -1 3 362.354 0.651 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000173003485 488839813 /nfs/dbraw/zinc/83/98/13/488839813.db2.gz OTEGSQPEZMELSV-GZMMTYOYSA-N -1 3 372.390 0.941 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC(n3cncn3)CC2)c(C)o1 ZINC000175913345 488856464 /nfs/dbraw/zinc/85/64/64/488856464.db2.gz LDTJSJHWKZKIIA-UHFFFAOYSA-N -1 3 353.404 0.565 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCCc1ccc(F)c(Br)c1 ZINC000179149158 488860821 /nfs/dbraw/zinc/86/08/21/488860821.db2.gz CAIZZGKAYCVQLZ-JTQLQIEISA-N -1 3 358.167 0.845 10 0 FCAEHM C[C@@]1(c2ccc(C(=O)N3CC(F)(F)C[C@@H]3CO)cc2)NC(=O)[N-]C1=O ZINC000364578477 488974525 /nfs/dbraw/zinc/97/45/25/488974525.db2.gz LGQAFNWUUBROQQ-ABAIWWIYSA-N -1 3 353.325 0.583 10 0 FCAEHM C[C@]1(c2ccc(C(=O)N3CC(F)(F)C[C@@H]3CO)cc2)NC(=O)[N-]C1=O ZINC000364578478 488974529 /nfs/dbraw/zinc/97/45/29/488974529.db2.gz LGQAFNWUUBROQQ-IAQYHMDHSA-N -1 3 353.325 0.583 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N1CC(F)(F)C[C@@H]1CO ZINC000364605607 488976936 /nfs/dbraw/zinc/97/69/36/488976936.db2.gz WYGLZQGXNMAIRV-SNVBAGLBSA-N -1 3 353.325 0.721 10 0 FCAEHM CCOC(=O)C(C)(C)c1csc(NC(=O)CN2CC(=O)[N-]C2=O)n1 ZINC000288445616 488982335 /nfs/dbraw/zinc/98/23/35/488982335.db2.gz YVTVDRXZCNMUDF-UHFFFAOYSA-N -1 3 354.388 0.474 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)NOCCCC(=O)OC)ccc1F ZINC000288695645 489006036 /nfs/dbraw/zinc/00/60/36/489006036.db2.gz CJQLIFAOAOVKLX-UHFFFAOYSA-N -1 3 363.367 0.740 10 0 FCAEHM COC[C@H](CO)NC(=O)c1c(C)oc2[n-]c(=O)n(-c3ccccc3)c(=O)c21 ZINC000280890875 489038984 /nfs/dbraw/zinc/03/89/84/489038984.db2.gz OYGBBDBTSULHQS-NSHDSACASA-N -1 3 373.365 0.730 10 0 FCAEHM COCCN(C)S(=O)(=O)[C@H]1CCCN(Cc2nc(C)ccc2[O-])C1 ZINC000365173941 489045300 /nfs/dbraw/zinc/04/53/00/489045300.db2.gz APSUZADMTAOITC-AWEZNQCLSA-N -1 3 357.476 0.968 10 0 FCAEHM NS(=O)(=O)c1ccc(OCCN2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)cc1 ZINC000289392029 489063547 /nfs/dbraw/zinc/06/35/47/489063547.db2.gz KBJZRRRIXQTXSO-LLVKDONJSA-N -1 3 367.431 0.004 10 0 FCAEHM CC(=O)Nc1ccc(NC(=O)CN2CCC[C@H](c3nc(=O)[n-][nH]3)C2)cc1 ZINC000289427473 489066744 /nfs/dbraw/zinc/06/67/44/489066744.db2.gz NFZBDBBUJNOCGN-LBPRGKRZSA-N -1 3 358.402 0.875 10 0 FCAEHM CNC(=O)c1cccc(NC(=O)[C@H](C)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000289428787 489066806 /nfs/dbraw/zinc/06/68/06/489066806.db2.gz NJQVHKMGHKGASL-AAEUAGOBSA-N -1 3 372.429 0.664 10 0 FCAEHM CC[C@]1(C)NC(=O)N([N-]C(=O)[C@H](F)C2CN(C(=O)OC(C)(C)C)C2)C1=O ZINC000289439282 489067448 /nfs/dbraw/zinc/06/74/48/489067448.db2.gz YQMUONLOCMRLSA-HWPZZCPQSA-N -1 3 372.397 0.943 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(C(=O)NCc3ccnn3C)CC2)n[n-]1 ZINC000365636676 489094576 /nfs/dbraw/zinc/09/45/76/489094576.db2.gz KHKOTKLTDQQBFP-UHFFFAOYSA-N -1 3 361.406 0.804 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(C(=O)NCc3ccnn3C)CC2)[n-]1 ZINC000365636676 489094579 /nfs/dbraw/zinc/09/45/79/489094579.db2.gz KHKOTKLTDQQBFP-UHFFFAOYSA-N -1 3 361.406 0.804 10 0 FCAEHM COCCCS(=O)(=O)[N-]CC(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000281737188 489102276 /nfs/dbraw/zinc/10/22/76/489102276.db2.gz OJMNOHKOBYCAJJ-UHFFFAOYSA-N -1 3 355.416 0.318 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000290075400 489112457 /nfs/dbraw/zinc/11/24/57/489112457.db2.gz OJDSUXLSKIKGQD-LBPRGKRZSA-N -1 3 370.324 0.630 10 0 FCAEHM O=S(=O)([N-]CCCn1cc(CO)nn1)c1cccnc1C(F)(F)F ZINC000290283577 489127853 /nfs/dbraw/zinc/12/78/53/489127853.db2.gz VSYRHRQKFQCKFK-UHFFFAOYSA-N -1 3 365.337 0.553 10 0 FCAEHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000365985241 489131812 /nfs/dbraw/zinc/13/18/12/489131812.db2.gz LDFQNWALROAWMX-ZETCQYMHSA-N -1 3 351.313 0.757 10 0 FCAEHM CC(C)(C)OC(=O)N1CC(CC(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)C1 ZINC000366081512 489142665 /nfs/dbraw/zinc/14/26/65/489142665.db2.gz CZACFVHSASYNBB-KRWDZBQOSA-N -1 3 366.418 0.444 10 0 FCAEHM CC(C)N1CC[C@H]([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)C1=O ZINC000330784406 489143544 /nfs/dbraw/zinc/14/35/44/489143544.db2.gz JWJSCNJYKUMRRZ-NSHDSACASA-N -1 3 360.457 0.378 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@H]1C(=O)NCC[C@H]1C ZINC000282200662 489144440 /nfs/dbraw/zinc/14/44/40/489144440.db2.gz OQHXIKLSJVEEOD-GBIKHYSHSA-N -1 3 357.407 0.133 10 0 FCAEHM O=C(CN1CCC[C@@]2(C1)NC(=O)[N-]C2=O)Nc1ccc2c(c1)OCCO2 ZINC000366110815 489146890 /nfs/dbraw/zinc/14/68/90/489146890.db2.gz WNMDIEAMWBWYOD-KRWDZBQOSA-N -1 3 360.370 0.070 10 0 FCAEHM COC(=O)CCS(=O)(=O)[N-]c1ccc(CS(C)(=O)=O)c(F)c1 ZINC000290547196 489148328 /nfs/dbraw/zinc/14/83/28/489148328.db2.gz PZKRFNPBWPMYAS-UHFFFAOYSA-N -1 3 353.393 0.675 10 0 FCAEHM CSc1ccccc1S(=O)(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000366139115 489149811 /nfs/dbraw/zinc/14/98/11/489149811.db2.gz RYTZLCWTEKAQJU-CQSZACIVSA-N -1 3 355.441 0.771 10 0 FCAEHM CCCN(CCC)C(=O)CCC(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000366164344 489153394 /nfs/dbraw/zinc/15/33/94/489153394.db2.gz RUSAAOWEAOMKDM-KRWDZBQOSA-N -1 3 352.435 0.616 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC=C(Br)C2)c1 ZINC000282335205 489155506 /nfs/dbraw/zinc/15/55/06/489155506.db2.gz OKVWXTNRIKJXGA-UHFFFAOYSA-N -1 3 363.237 0.210 10 0 FCAEHM C[C@H]1NC(=O)CC[C@H]1NC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000282396633 489160185 /nfs/dbraw/zinc/16/01/85/489160185.db2.gz WZWQJPZZVMHGBC-IUODEOHRSA-N -1 3 360.414 0.527 10 0 FCAEHM CCNC(=O)N1CC[C@H]([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)C1 ZINC000290754396 489163172 /nfs/dbraw/zinc/16/31/72/489163172.db2.gz MYHTUYXNFKWBLS-NSHDSACASA-N -1 3 373.431 0.765 10 0 FCAEHM CCN(CC)C(=O)[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)[N-]C)nc1 ZINC000331013256 489165277 /nfs/dbraw/zinc/16/52/77/489165277.db2.gz FQZBKKHHFVTDGX-CYBMUJFWSA-N -1 3 368.459 0.463 10 0 FCAEHM CSc1nc(C)c(CCC(=O)N2CCN(CCO)[C@H](C)C2)c(=O)[n-]1 ZINC000331130408 489176091 /nfs/dbraw/zinc/17/60/91/489176091.db2.gz CQRDVLTUYYEMKE-LLVKDONJSA-N -1 3 354.476 0.670 10 0 FCAEHM C[C@H]1CN(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)CCN1CCO ZINC000331209007 489185851 /nfs/dbraw/zinc/18/58/51/489185851.db2.gz QAWZEZMNLPPCMM-NSHDSACASA-N -1 3 359.423 0.336 10 0 FCAEHM O=C(CCNC(=O)OCC(F)(F)F)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282817470 489192090 /nfs/dbraw/zinc/19/20/90/489192090.db2.gz CACDNQRVHJSEDL-QMMMGPOBSA-N -1 3 365.312 0.483 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-][C@H]2CCCN(CC(F)(F)F)C2=O)c1 ZINC000331333834 489199110 /nfs/dbraw/zinc/19/91/10/489199110.db2.gz TUCUVFWIHJSLLO-VIFPVBQESA-N -1 3 354.354 0.735 10 0 FCAEHM Cc1cccc(-n2cc(C(=O)Nc3[n-]nnc3C(=O)NC3CC3)nn2)c1 ZINC000297638609 489217464 /nfs/dbraw/zinc/21/74/64/489217464.db2.gz CZGNJCLMYDUVDO-UHFFFAOYSA-N -1 3 352.358 0.838 10 0 FCAEHM Cc1cccc(-n2cc(C(=O)Nc3nn[n-]c3C(=O)NC3CC3)nn2)c1 ZINC000297638609 489217466 /nfs/dbraw/zinc/21/74/66/489217466.db2.gz CZGNJCLMYDUVDO-UHFFFAOYSA-N -1 3 352.358 0.838 10 0 FCAEHM Cc1cccc(-n2cc(C(=O)Nc3n[n-]nc3C(=O)NC3CC3)nn2)c1 ZINC000297638609 489217467 /nfs/dbraw/zinc/21/74/67/489217467.db2.gz CZGNJCLMYDUVDO-UHFFFAOYSA-N -1 3 352.358 0.838 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)[C@@H](C)CO)cc1F ZINC000283148693 489219827 /nfs/dbraw/zinc/21/98/27/489219827.db2.gz JROGHXKOFNNRNL-VIFPVBQESA-N -1 3 354.425 0.589 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]CC(=O)NCC(F)(F)F ZINC000631768228 492849832 /nfs/dbraw/zinc/84/98/32/492849832.db2.gz DINIEXUOSPEVAX-UHFFFAOYSA-N -1 3 368.259 0.396 10 0 FCAEHM Cc1nc(C(=O)Nc2[n-]nnc2C(=O)NC2CC2)nn1-c1ccc(F)cc1 ZINC000297767101 489237615 /nfs/dbraw/zinc/23/76/15/489237615.db2.gz PKHJGDDTJDLBGN-UHFFFAOYSA-N -1 3 370.348 0.977 10 0 FCAEHM Cc1nc(C(=O)Nc2nn[n-]c2C(=O)NC2CC2)nn1-c1ccc(F)cc1 ZINC000297767101 489237619 /nfs/dbraw/zinc/23/76/19/489237619.db2.gz PKHJGDDTJDLBGN-UHFFFAOYSA-N -1 3 370.348 0.977 10 0 FCAEHM Cc1nc(C(=O)Nc2n[n-]nc2C(=O)NC2CC2)nn1-c1ccc(F)cc1 ZINC000297767101 489237622 /nfs/dbraw/zinc/23/76/22/489237622.db2.gz PKHJGDDTJDLBGN-UHFFFAOYSA-N -1 3 370.348 0.977 10 0 FCAEHM O=C(Cc1ccc(Br)cc1[O-])N1CCn2nnc(CO)c2C1 ZINC000563412713 491243155 /nfs/dbraw/zinc/24/31/55/491243155.db2.gz HODBDNUKYBTMHN-UHFFFAOYSA-N -1 3 367.203 0.823 10 0 FCAEHM O=C(CNC(=O)c1cccc([O-])c1)NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000283548049 489273105 /nfs/dbraw/zinc/27/31/05/489273105.db2.gz HOIGNQCREOIHLY-PBHICJAKSA-N -1 3 362.426 0.806 10 0 FCAEHM O=C(NC[C@@H]1CCC2(CCOCC2)[C@H]1O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000283595812 489279516 /nfs/dbraw/zinc/27/95/16/489279516.db2.gz KSISBRXBZYIRJU-WFASDCNBSA-N -1 3 358.394 0.868 10 0 FCAEHM CCCc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCO2)n[nH]1 ZINC000349466529 489292088 /nfs/dbraw/zinc/29/20/88/489292088.db2.gz MPNZXBYCJNKPJH-UHFFFAOYSA-N -1 3 366.465 0.461 10 0 FCAEHM CCc1ncc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCO2)cn1 ZINC000349467242 489292465 /nfs/dbraw/zinc/29/24/65/489292465.db2.gz NJRVFQYMLKSTCS-UHFFFAOYSA-N -1 3 364.449 0.138 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCCN1CCCC1=O ZINC000298170997 489299741 /nfs/dbraw/zinc/29/97/41/489299741.db2.gz SBKFHSYGEWALPD-LBPRGKRZSA-N -1 3 371.434 0.621 10 0 FCAEHM COCC[C@](C)(O)CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000370046567 489309701 /nfs/dbraw/zinc/30/97/01/489309701.db2.gz KTEXRAFXOWOKFN-KSSFIOAISA-N -1 3 350.415 0.901 10 0 FCAEHM Cc1ncc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2[C@@H]3CCC[C@@H]32)cn1 ZINC000349548365 489313237 /nfs/dbraw/zinc/31/32/37/489313237.db2.gz WUTZHRARNPZFRO-WDNDVIMCSA-N -1 3 374.488 0.635 10 0 FCAEHM O=S(=O)(CCCCS(=O)(=O)N[C@@H]1C[C@H]2C[C@H]2C1)[N-]c1cn[nH]c1 ZINC000349578146 489320680 /nfs/dbraw/zinc/32/06/80/489320680.db2.gz ATBNWUVULKWGKX-ZSBIGDGJSA-N -1 3 362.477 0.650 10 0 FCAEHM CCNC(=O)CN(CC)C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000298421043 489324917 /nfs/dbraw/zinc/32/49/17/489324917.db2.gz LNKPVEPLBLYXCL-NSHDSACASA-N -1 3 359.423 0.477 10 0 FCAEHM CN1CC[C@@H]2OCCN(C(=O)c3ccc(F)c([N-]S(C)(=O)=O)c3)[C@H]2C1 ZINC000285912654 489333751 /nfs/dbraw/zinc/33/37/51/489333751.db2.gz UCDZZIUYMJTBFC-GJZGRUSLSA-N -1 3 371.434 0.742 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]Cc2nc([C@H]3CCOC[C@@H]3C)no2)cn1C ZINC000350592413 489342419 /nfs/dbraw/zinc/34/24/19/489342419.db2.gz HKUITYJCQDSWRQ-ONGXEEELSA-N -1 3 355.420 0.730 10 0 FCAEHM COc1nc(NC(=O)CN2C(=O)N[C@@]3(CCCC(C)(C)C3)C2=O)n[n-]1 ZINC000370368888 489350551 /nfs/dbraw/zinc/35/05/51/489350551.db2.gz YCZCQPFHRMENCF-OAHLLOKOSA-N -1 3 350.379 0.643 10 0 FCAEHM COc1nnc(NC(=O)CN2C(=O)N[C@@]3(CCCC(C)(C)C3)C2=O)[n-]1 ZINC000370368888 489350553 /nfs/dbraw/zinc/35/05/53/489350553.db2.gz YCZCQPFHRMENCF-OAHLLOKOSA-N -1 3 350.379 0.643 10 0 FCAEHM COc1n[n-]c(NC(=O)CN2C(=O)N[C@@]3(CCCC(C)(C)C3)C2=O)n1 ZINC000370368888 489350554 /nfs/dbraw/zinc/35/05/54/489350554.db2.gz YCZCQPFHRMENCF-OAHLLOKOSA-N -1 3 350.379 0.643 10 0 FCAEHM Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000555294034 491244934 /nfs/dbraw/zinc/24/49/34/491244934.db2.gz KSYZOMSHBHAZEI-ZWNOBZJWSA-N -1 3 362.434 0.953 10 0 FCAEHM COC(=O)[C@@H](CF)NC(=O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000570557340 491249321 /nfs/dbraw/zinc/24/93/21/491249321.db2.gz NGHIAOBUJYAPKA-SNVBAGLBSA-N -1 3 350.343 0.121 10 0 FCAEHM O=C(Cc1noc(CN2CC(=O)[N-]C2=O)n1)NCc1cccc(Cl)c1 ZINC000351033625 489353603 /nfs/dbraw/zinc/35/36/03/489353603.db2.gz KOZVGFFWORKTOH-UHFFFAOYSA-N -1 3 363.761 0.634 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCCC[C@H]1C(N)=O ZINC000298718114 489356067 /nfs/dbraw/zinc/35/60/67/489356067.db2.gz QBUIAYNWZLTHEK-JQWIXIFHSA-N -1 3 357.407 0.359 10 0 FCAEHM O=C(C[C@]1(C(=O)[N-]O[C@H]2CCCCO2)CC[NH2+]C1)[N-]O[C@H]1CCCCO1 ZINC000361738732 489364634 /nfs/dbraw/zinc/36/46/34/489364634.db2.gz AXOUIKFMZIBVAK-YQQAZPJKSA-N -1 3 371.434 0.505 10 0 FCAEHM C[C@@H]1Oc2c(cccc2C(=O)N2CCC[C@H]2c2nc(=N)n(C)[n-]2)NC1=O ZINC000555532419 491252803 /nfs/dbraw/zinc/25/28/03/491252803.db2.gz RTYPIRCPOPBQBV-CABZTGNLSA-N -1 3 356.386 0.924 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N1CCO[C@@]2(CCCOC2)C1 ZINC000286528786 489400913 /nfs/dbraw/zinc/40/09/13/489400913.db2.gz YAEDXIREGVFFOP-IBGZPJMESA-N -1 3 373.409 0.488 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)N[C@@H]1CCC[C@H](CO)C1 ZINC000299149899 489411014 /nfs/dbraw/zinc/41/10/14/489411014.db2.gz YTZJLDGJTHSPAE-NWDGAFQWSA-N -1 3 361.489 0.877 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)N[C@H]1CCC[C@H](CO)C1 ZINC000299149905 489411179 /nfs/dbraw/zinc/41/11/79/489411179.db2.gz YTZJLDGJTHSPAE-RYUDHWBXSA-N -1 3 361.489 0.877 10 0 FCAEHM COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)CN2CC(=O)[N-]C2=O)cc1 ZINC000363033722 489414255 /nfs/dbraw/zinc/41/42/55/489414255.db2.gz YBEXMZVXSGOKPM-ZDUSSCGKSA-N -1 3 360.370 0.177 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1cc(F)c(F)cc1N1CCOCC1 ZINC000286819544 489433177 /nfs/dbraw/zinc/43/31/77/489433177.db2.gz WYFIRAQJCDMNNQ-UHFFFAOYSA-N -1 3 354.313 0.292 10 0 FCAEHM COc1cc(C(=O)N2CCC(CNS(C)(=O)=O)CC2)cc(OC)c1[O-] ZINC000286997624 489450770 /nfs/dbraw/zinc/45/07/70/489450770.db2.gz OWARDDZYZCIWPK-UHFFFAOYSA-N -1 3 372.443 0.811 10 0 FCAEHM COc1ccccc1[C@H](NC(=O)CN1CC(=O)[N-]C1=O)c1ccccn1 ZINC000371179874 489462979 /nfs/dbraw/zinc/46/29/79/489462979.db2.gz YUZVZXJWPJLFSW-KRWDZBQOSA-N -1 3 354.366 0.848 10 0 FCAEHM COCC1(O)CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000371187862 489464225 /nfs/dbraw/zinc/46/42/25/489464225.db2.gz HHRPOXINQCOUIE-OAHLLOKOSA-N -1 3 362.426 0.997 10 0 FCAEHM CC(C)[C@@H](NC(=O)CN1CC(=O)[N-]C1=O)c1nc(-c2cccnc2)no1 ZINC000363622936 489484198 /nfs/dbraw/zinc/48/41/98/489484198.db2.gz DUCSGZMSTNFYSM-CYBMUJFWSA-N -1 3 358.358 0.497 10 0 FCAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CC[C@@H](C)[S@@](C)=O ZINC000451324757 489498579 /nfs/dbraw/zinc/49/85/79/489498579.db2.gz MFXAMAJKLKYDIP-VRNWYBPDSA-N -1 3 367.411 0.947 10 0 FCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cnccc1OCC ZINC000451470550 489506182 /nfs/dbraw/zinc/50/61/82/489506182.db2.gz GPLRSBVZWHCASZ-WDEREUQCSA-N -1 3 373.431 0.215 10 0 FCAEHM O=C(CS(=O)(=O)c1nc2c([n-]1)CCC2)N1CCO[C@H]2CCCC[C@H]21 ZINC000555617913 491259960 /nfs/dbraw/zinc/25/99/60/491259960.db2.gz OAEFWKVGIGTPAH-KGLIPLIRSA-N -1 3 353.444 0.842 10 0 FCAEHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]C[C@H]1CCCCN1CCO ZINC000451671270 489516792 /nfs/dbraw/zinc/51/67/92/489516792.db2.gz PTMRZGDQGQCRCR-CYBMUJFWSA-N -1 3 374.434 0.737 10 0 FCAEHM CC[C@H]([N-]S(=O)(=O)C1CN(C(=O)c2ccccc2)C1)[C@@H](O)C(F)F ZINC000451718380 489519371 /nfs/dbraw/zinc/51/93/71/489519371.db2.gz URPAYOVDTWYGQR-QWHCGFSZSA-N -1 3 362.398 0.835 10 0 FCAEHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000371928819 489525599 /nfs/dbraw/zinc/52/55/99/489525599.db2.gz OHAXIJJIQQZMDQ-SSDOTTSWSA-N -1 3 350.766 0.527 10 0 FCAEHM CCc1ncc(C[N-]S(=O)(=O)c2ccc(S(=O)(=O)NC)c(C)c2)o1 ZINC000451958794 489534158 /nfs/dbraw/zinc/53/41/58/489534158.db2.gz MFCKSHOHUPVYRG-UHFFFAOYSA-N -1 3 373.456 0.932 10 0 FCAEHM O=C(c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)N1C[C@H](O)C2(CC2)C1 ZINC000372361351 489575636 /nfs/dbraw/zinc/57/56/36/489575636.db2.gz YXVQPCWOTMQMKZ-AWEZNQCLSA-N -1 3 354.403 0.863 10 0 FCAEHM C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000416285878 489576996 /nfs/dbraw/zinc/57/69/96/489576996.db2.gz AHYAIGXSKQJQKY-UONOGXRCSA-N -1 3 374.441 0.406 10 0 FCAEHM CCS(=O)(=O)NCCC[N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C ZINC000416381107 489587391 /nfs/dbraw/zinc/58/73/91/489587391.db2.gz GHQMUVKSQHILBF-NSHDSACASA-N -1 3 364.493 0.388 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CC(F)(F)C[C@@H]1CO ZINC000372505431 489591441 /nfs/dbraw/zinc/59/14/41/489591441.db2.gz MNGQLOUMCHHARH-SSDOTTSWSA-N -1 3 374.818 0.908 10 0 FCAEHM COCCN1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000372538638 489596015 /nfs/dbraw/zinc/59/60/15/489596015.db2.gz VSNKZGSFDGGSTO-INIZCTEOSA-N -1 3 361.442 0.787 10 0 FCAEHM CCOCCOC[C@@H](O)C[N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C ZINC000416471622 489597431 /nfs/dbraw/zinc/59/74/31/489597431.db2.gz QNVZABZYLOLHHO-OLZOCXBDSA-N -1 3 361.464 0.473 10 0 FCAEHM O=S(=O)([N-]C[C@H](O)Cn1ccnn1)c1ccc(C(F)(F)F)s1 ZINC000416541871 489608031 /nfs/dbraw/zinc/60/80/31/489608031.db2.gz BRLRRPGBWMZTTJ-ZETCQYMHSA-N -1 3 356.351 0.698 10 0 FCAEHM O=S(=O)([N-]C[C@@H](O)Cn1ccnn1)c1ccc(F)cc1C(F)(F)F ZINC000416569398 489610850 /nfs/dbraw/zinc/61/08/50/489610850.db2.gz YCESMFTZSGJVDU-SECBINFHSA-N -1 3 368.312 0.775 10 0 FCAEHM COCCN(C(=O)C(=O)[N-]c1sccc1C(=O)OC)[C@@H]1CCOC1 ZINC000427915830 489628566 /nfs/dbraw/zinc/62/85/66/489628566.db2.gz KZIUEPMPVOHILX-SNVBAGLBSA-N -1 3 356.400 0.737 10 0 FCAEHM C[C@@H]1CN(CCO)CCN1C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000457089624 489634904 /nfs/dbraw/zinc/63/49/04/489634904.db2.gz DJEVVFOIDKGXSJ-SNVBAGLBSA-N -1 3 351.353 0.945 10 0 FCAEHM CNC(=O)[C@@H](NC(=O)CNC(=O)c1c[n-]c2ccccc2c1=O)C(C)C ZINC000428245256 489642826 /nfs/dbraw/zinc/64/28/26/489642826.db2.gz JFGJAHPBKYAZEW-HNNXBMFYSA-N -1 3 358.398 0.145 10 0 FCAEHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000428522565 489652459 /nfs/dbraw/zinc/65/24/59/489652459.db2.gz BEGXKRHJXHMBLT-ZDUSSCGKSA-N -1 3 371.441 0.620 10 0 FCAEHM COCCOCCS(=O)(=O)[N-]Cc1noc(-c2cccc(F)c2)n1 ZINC000372982104 489658653 /nfs/dbraw/zinc/65/86/53/489658653.db2.gz QADJCXQHWVQGSL-UHFFFAOYSA-N -1 3 359.379 0.958 10 0 FCAEHM COc1nc(NC(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)n[n-]1 ZINC000373042314 489663728 /nfs/dbraw/zinc/66/37/28/489663728.db2.gz LJPVEAFNYLTCAF-JQWIXIFHSA-N -1 3 361.406 0.874 10 0 FCAEHM COc1nnc(NC(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)[n-]1 ZINC000373042314 489663730 /nfs/dbraw/zinc/66/37/30/489663730.db2.gz LJPVEAFNYLTCAF-JQWIXIFHSA-N -1 3 361.406 0.874 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)n1 ZINC000373042314 489663732 /nfs/dbraw/zinc/66/37/32/489663732.db2.gz LJPVEAFNYLTCAF-JQWIXIFHSA-N -1 3 361.406 0.874 10 0 FCAEHM CN(C)CCOc1ccc(NC(=O)c2cnc([O-])n(C)c2=O)cc1F ZINC000458274613 489675597 /nfs/dbraw/zinc/67/55/97/489675597.db2.gz BTTVKDLQVGSHMN-UHFFFAOYSA-N -1 3 350.350 0.818 10 0 FCAEHM Cc1ccccc1CC(=O)N1CCN(C(=O)C(=O)[N-]c2cnns2)CC1 ZINC000429664244 489695954 /nfs/dbraw/zinc/69/59/54/489695954.db2.gz VZAGAGHLEOCFHK-UHFFFAOYSA-N -1 3 373.438 0.699 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCc1nnc2n1CCC2 ZINC000489156790 489698186 /nfs/dbraw/zinc/69/81/86/489698186.db2.gz MZHWVZDCDVOBRU-JTQLQIEISA-N -1 3 369.472 0.312 10 0 FCAEHM COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@H](C)Cn1cncn1 ZINC000469276918 489699237 /nfs/dbraw/zinc/69/92/37/489699237.db2.gz WHJDINKAXMKELA-LLVKDONJSA-N -1 3 358.395 0.809 10 0 FCAEHM COc1ccc([C@@H](CC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)NC(C)=O)cc1 ZINC000489477353 489713247 /nfs/dbraw/zinc/71/32/47/489713247.db2.gz GPFSVAROUKVGCR-HUUCEWRRSA-N -1 3 374.397 0.025 10 0 FCAEHM CS(=O)(=O)c1ccc(OCC[N-]S(=O)(=O)c2cscn2)cc1 ZINC000570923001 491273666 /nfs/dbraw/zinc/27/36/66/491273666.db2.gz DMKSIEGJDLLLDS-UHFFFAOYSA-N -1 3 362.454 0.904 10 0 FCAEHM COCCN(CCCOc1ccc(F)cc1)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000489645556 489722365 /nfs/dbraw/zinc/72/23/65/489722365.db2.gz DNAPLCUUWAAUQB-AWEZNQCLSA-N -1 3 367.377 0.668 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCCCC[C@@H]2C(N)=O)cn1 ZINC000474262326 489749660 /nfs/dbraw/zinc/74/96/60/489749660.db2.gz AOKHELPFUGAGGA-RYUDHWBXSA-N -1 3 354.432 0.154 10 0 FCAEHM CC(C)[C@@](C)(CO)NC(=O)NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000460354197 489864061 /nfs/dbraw/zinc/86/40/61/489864061.db2.gz SRUFSVMJXBSUOZ-QZTJIDSGSA-N -1 3 362.430 0.947 10 0 FCAEHM COCCNC(=O)Cn1cc([N-]S(=O)(=O)N2CCC[C@@H](C)C2)cn1 ZINC000460829292 489883730 /nfs/dbraw/zinc/88/37/30/489883730.db2.gz FATOCUUKWJHMEW-GFCCVEGCSA-N -1 3 359.452 0.034 10 0 FCAEHM O=C1[N-]C(=O)N2CCN(S(=O)(=O)c3ccc4ncsc4c3)C[C@@H]12 ZINC000476507495 489895757 /nfs/dbraw/zinc/89/57/57/489895757.db2.gz JVGDCXIHNIQHIB-JTQLQIEISA-N -1 3 352.397 0.221 10 0 FCAEHM COC[C@H](CO)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000461456037 489911695 /nfs/dbraw/zinc/91/16/95/489911695.db2.gz NGPQOCRJVYBBQX-JTQLQIEISA-N -1 3 371.390 0.692 10 0 FCAEHM C[C@@]1(c2cccc(C(=O)NCc3nnc4ccccn43)c2)NC(=O)[N-]C1=O ZINC000494832674 489915904 /nfs/dbraw/zinc/91/59/04/489915904.db2.gz KPHQQBMWCZITMN-SFHVURJKSA-N -1 3 364.365 0.714 10 0 FCAEHM COC(=O)CN1CCN(C(=O)c2c[n-]c3cc(OC)ccc3c2=O)CC1 ZINC000476891898 489922628 /nfs/dbraw/zinc/92/26/28/489922628.db2.gz GOUGGWMJHSOVOS-UHFFFAOYSA-N -1 3 359.382 0.468 10 0 FCAEHM Cc1cc(O)cc(=O)n1CC(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000461625652 489923226 /nfs/dbraw/zinc/92/32/26/489923226.db2.gz VJGBSZKFUDQASU-UHFFFAOYSA-N -1 3 358.354 0.397 10 0 FCAEHM CC1(C)[C@H](O)CCN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000462149227 489961019 /nfs/dbraw/zinc/96/10/19/489961019.db2.gz PUKRUCYUDKNRCZ-GFCCVEGCSA-N -1 3 366.436 0.731 10 0 FCAEHM COCC[C@H](COC)NC(=O)N1CCC[C@H]1C[C@]1(C)NC(=O)[N-]C1=O ZINC000462517585 489980153 /nfs/dbraw/zinc/98/01/53/489980153.db2.gz MKAUDSGJRZTETH-WQGACYEGSA-N -1 3 356.423 0.200 10 0 FCAEHM COCC[C@H](COC)NC(=O)N1CCC[C@@H]1C[C@]1(C)NC(=O)[N-]C1=O ZINC000462517584 489980266 /nfs/dbraw/zinc/98/02/66/489980266.db2.gz MKAUDSGJRZTETH-HSMVNMDESA-N -1 3 356.423 0.200 10 0 FCAEHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c1 ZINC000462581005 489983601 /nfs/dbraw/zinc/98/36/01/489983601.db2.gz OBRLJXAJIXJIAY-JMJZKYOTSA-N -1 3 358.441 0.822 10 0 FCAEHM O=C(c1sccc1S(=O)(=O)[N-]Cc1ccco1)N1CC(CO)C1 ZINC000477795489 489991246 /nfs/dbraw/zinc/99/12/46/489991246.db2.gz FDWURCBOEDUVAE-UHFFFAOYSA-N -1 3 356.425 0.884 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1ccc(NC(=O)c2ccccc2)cn1 ZINC000477930165 489997459 /nfs/dbraw/zinc/99/74/59/489997459.db2.gz VPZDYJPUYFBYHB-LBPRGKRZSA-N -1 3 353.338 0.871 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCCC[C@@H]1CC(N)=O ZINC000477940010 489997810 /nfs/dbraw/zinc/99/78/10/489997810.db2.gz SQTMWAUKKZXMBA-NWDGAFQWSA-N -1 3 371.434 0.749 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3nncs3)CC2)n[n-]1 ZINC000436100020 490006081 /nfs/dbraw/zinc/00/60/81/490006081.db2.gz MWWPLPJTBZHADO-UHFFFAOYSA-N -1 3 351.392 1.244 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3nncs3)CC2)[n-]1 ZINC000436100020 490006084 /nfs/dbraw/zinc/00/60/84/490006084.db2.gz MWWPLPJTBZHADO-UHFFFAOYSA-N -1 3 351.392 1.244 10 0 FCAEHM O=C(NC[C@@H](O)COCC1CC1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436632702 490009986 /nfs/dbraw/zinc/00/99/86/490009986.db2.gz ZWOBBDAFAXFQDI-GDBMZVCRSA-N -1 3 362.426 0.901 10 0 FCAEHM O=C1[N-]C(=O)C2(CCN(S(=O)(=O)c3c(F)cccc3Cl)CC2)N1 ZINC000463699895 490025598 /nfs/dbraw/zinc/02/55/98/490025598.db2.gz RMFPJADUGJUZJB-UHFFFAOYSA-N -1 3 361.782 0.842 10 0 FCAEHM CCO[C@@H]1C[C@@]([N-]S(=O)(=O)c2cn(CC)cn2)(C(=O)OC)C1(C)C ZINC000444281079 490081207 /nfs/dbraw/zinc/08/12/07/490081207.db2.gz ZPNOIUMOWPKRCS-IAQYHMDHSA-N -1 3 359.448 0.928 10 0 FCAEHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000444657171 490101384 /nfs/dbraw/zinc/10/13/84/490101384.db2.gz BLADILFLDLABBY-UHFFFAOYSA-N -1 3 356.317 0.762 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc(C(N)=O)nc1 ZINC000479712364 490117376 /nfs/dbraw/zinc/11/73/76/490117376.db2.gz KIKYRAMHKWGVPK-MRVPVSSYSA-N -1 3 354.413 0.548 10 0 FCAEHM C[C@H](NC(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000545435624 490135535 /nfs/dbraw/zinc/13/55/35/490135535.db2.gz SRPGRXZKEQERAF-UHXUCMFUSA-N -1 3 358.398 0.885 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N[C@H]1CCc2nnnn2CC1 ZINC000422076631 490137421 /nfs/dbraw/zinc/13/74/21/490137421.db2.gz ZJIFBUHERGFHPT-JTQLQIEISA-N -1 3 368.401 0.673 10 0 FCAEHM O=C1[N-]C(=O)N2CCN(S(=O)(=O)Cc3ccc4ccccc4c3)C[C@@H]12 ZINC000564342479 491302081 /nfs/dbraw/zinc/30/20/81/491302081.db2.gz ODJSYKSBWIWRKT-HNNXBMFYSA-N -1 3 359.407 0.906 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000533222557 490197120 /nfs/dbraw/zinc/19/71/20/490197120.db2.gz MFWKLBZDNRMDSA-DCAQKATOSA-N -1 3 359.473 0.575 10 0 FCAEHM C[C@@H]1CCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C[C@@H]1C(=O)[O-] ZINC000571438770 491307956 /nfs/dbraw/zinc/30/79/56/491307956.db2.gz FIPYDSZPAXUEDO-ILXRZTDVSA-N -1 3 368.478 0.681 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000482187654 490239147 /nfs/dbraw/zinc/23/91/47/490239147.db2.gz WZIJLDBAEBPJTE-CYBMUJFWSA-N -1 3 358.398 0.207 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1C[C@H](C)N(C)C[C@H]1C ZINC000408071014 490239071 /nfs/dbraw/zinc/23/90/71/490239071.db2.gz JIZIOJYUOOBKIM-UMNHJUIQSA-N -1 3 358.464 0.509 10 0 FCAEHM Cc1nn(CC(F)F)c(C)c1C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000447746093 490264331 /nfs/dbraw/zinc/26/43/31/490264331.db2.gz OVYICWCMUUDHLT-OAHLLOKOSA-N -1 3 355.345 0.579 10 0 FCAEHM CN(C)S(=O)(=O)c1ccccc1-c1noc(CN2CC(=O)[N-]C2=O)n1 ZINC000547039882 490265326 /nfs/dbraw/zinc/26/53/26/490265326.db2.gz YWFUZBBWKUZCRG-UHFFFAOYSA-N -1 3 365.371 0.039 10 0 FCAEHM CC[C@@H]1NC(=O)N(c2cccc([N-]S(=O)(=O)CCC(=O)OC)c2)C1=O ZINC000564550332 491313015 /nfs/dbraw/zinc/31/30/15/491313015.db2.gz MKIXNNSCPJOHOO-LBPRGKRZSA-N -1 3 369.399 0.826 10 0 FCAEHM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CCN3CCC2CC3)c1 ZINC000507872953 490273788 /nfs/dbraw/zinc/27/37/88/490273788.db2.gz FTELPGSLYMUFIJ-UHFFFAOYSA-N -1 3 353.444 0.563 10 0 FCAEHM CCOC(=O)c1cc([N-]S(=O)(=O)N2CCC2)cc(S(C)(=O)=O)c1 ZINC000507906251 490276791 /nfs/dbraw/zinc/27/67/91/490276791.db2.gz AHTLTBQEPBXAHX-UHFFFAOYSA-N -1 3 362.429 0.629 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000408242455 490286102 /nfs/dbraw/zinc/28/61/02/490286102.db2.gz UTYDDBPNEZTVCR-MNOVXSKESA-N -1 3 351.450 0.430 10 0 FCAEHM CC1(C)CN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)CCS1(=O)=O ZINC000408248369 490287641 /nfs/dbraw/zinc/28/76/41/490287641.db2.gz CLVMNHARQOPPHQ-UHFFFAOYSA-N -1 3 360.457 0.707 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1ccc(-c2cn3cccnc3n2)cc1 ZINC000483208563 490292504 /nfs/dbraw/zinc/29/25/04/490292504.db2.gz MSEFDTIWGZABQO-LBPRGKRZSA-N -1 3 350.338 0.933 10 0 FCAEHM CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000533880172 490295900 /nfs/dbraw/zinc/29/59/00/490295900.db2.gz CQNRUPCGCQYUQI-QGZVFWFLSA-N -1 3 369.421 0.938 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@]2(C(=O)OC)CCSC2)oc1C ZINC000533925607 490300092 /nfs/dbraw/zinc/30/00/92/490300092.db2.gz IWUPYNFMJNXENU-CYBMUJFWSA-N -1 3 363.413 0.702 10 0 FCAEHM O=C(Nc1cc(N2CCCS2(=O)=O)ccc1[O-])[C@@H](O)C1CCOCC1 ZINC000533963831 490304710 /nfs/dbraw/zinc/30/47/10/490304710.db2.gz CRNZYVYXMUCXEV-HNNXBMFYSA-N -1 3 370.427 0.658 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cn1C ZINC000408349216 490312164 /nfs/dbraw/zinc/31/21/64/490312164.db2.gz HFEHEHFLFJTTHP-CJNGLKHVSA-N -1 3 370.475 0.160 10 0 FCAEHM O=C(Cn1cc(I)c(=O)[n-]c1=O)[C@H]1CCCOC1 ZINC000522014557 490329457 /nfs/dbraw/zinc/32/94/57/490329457.db2.gz ODPSSJPOEXCXSV-ZETCQYMHSA-N -1 3 364.139 0.549 10 0 FCAEHM CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)C[N-]S(=O)(=O)c1ccccc1F ZINC000522060257 490335751 /nfs/dbraw/zinc/33/57/51/490335751.db2.gz GUZMAEQRHRDXGW-LBPRGKRZSA-N -1 3 371.434 0.620 10 0 FCAEHM CN(C)C1(CNC(=O)C(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)CCC1 ZINC000564657369 491318744 /nfs/dbraw/zinc/31/87/44/491318744.db2.gz ZZQGEJQKOIWCIY-CVEARBPZSA-N -1 3 373.453 0.914 10 0 FCAEHM CCOC(=O)[C@@H](CCOC)NC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000467826708 490344529 /nfs/dbraw/zinc/34/45/29/490344529.db2.gz NORMBFOMQPPVPX-SNVBAGLBSA-N -1 3 364.445 0.111 10 0 FCAEHM CCO[C@@H]1COC[C@H]1[N-]S(=O)(=O)C1CN(C(=O)c2ccccc2)C1 ZINC000571631676 491319695 /nfs/dbraw/zinc/31/96/95/491319695.db2.gz MPXSQCDMVMHCQB-HUUCEWRRSA-N -1 3 354.428 0.234 10 0 FCAEHM COc1nc(NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)n[n-]1 ZINC000547777547 490354109 /nfs/dbraw/zinc/35/41/09/490354109.db2.gz AIOVDDOXQPACGY-UHFFFAOYSA-N -1 3 365.346 0.208 10 0 FCAEHM COc1nnc(NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)[n-]1 ZINC000547777547 490354113 /nfs/dbraw/zinc/35/41/13/490354113.db2.gz AIOVDDOXQPACGY-UHFFFAOYSA-N -1 3 365.346 0.208 10 0 FCAEHM COc1n[n-]c(NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)n1 ZINC000547777547 490354119 /nfs/dbraw/zinc/35/41/19/490354119.db2.gz AIOVDDOXQPACGY-UHFFFAOYSA-N -1 3 365.346 0.208 10 0 FCAEHM C[C@@]1(c2cccc(C(=O)N3CCSC[C@H]3CCO)c2)NC(=O)[N-]C1=O ZINC000534343377 490357272 /nfs/dbraw/zinc/35/72/72/490357272.db2.gz DWGOWOGDQMOEBC-DYVFJYSZSA-N -1 3 363.439 0.681 10 0 FCAEHM C[C@@]1(c2ccc(C(=O)N3CCSC[C@H]3CCO)cc2)NC(=O)[N-]C1=O ZINC000534344508 490357292 /nfs/dbraw/zinc/35/72/92/490357292.db2.gz BTXXYQWLFNLLQB-DYVFJYSZSA-N -1 3 363.439 0.681 10 0 FCAEHM CCN1CCN(CC(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)CC1 ZINC000468174742 490371508 /nfs/dbraw/zinc/37/15/08/490371508.db2.gz QKXDLQFSUDXSBK-UHFFFAOYSA-N -1 3 358.439 0.773 10 0 FCAEHM CNC(=O)c1nn[n-]c1NC(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000411094334 490385471 /nfs/dbraw/zinc/38/54/71/490385471.db2.gz DXWZHAFTEPGJNG-SSDOTTSWSA-N -1 3 364.312 0.434 10 0 FCAEHM CNC(=O)c1[n-]nnc1NC(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000411094334 490385475 /nfs/dbraw/zinc/38/54/75/490385475.db2.gz DXWZHAFTEPGJNG-SSDOTTSWSA-N -1 3 364.312 0.434 10 0 FCAEHM CNC(=O)c1n[n-]nc1NC(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000411094334 490385482 /nfs/dbraw/zinc/38/54/82/490385482.db2.gz DXWZHAFTEPGJNG-SSDOTTSWSA-N -1 3 364.312 0.434 10 0 FCAEHM CNC(=O)c1nn[n-]c1NC(=O)CCCCN1C(=O)c2ccccc2C1=O ZINC000411093630 490386156 /nfs/dbraw/zinc/38/61/56/490386156.db2.gz CMHKPVKQXSUEMN-UHFFFAOYSA-N -1 3 370.369 0.569 10 0 FCAEHM CNC(=O)c1[n-]nnc1NC(=O)CCCCN1C(=O)c2ccccc2C1=O ZINC000411093630 490386172 /nfs/dbraw/zinc/38/61/72/490386172.db2.gz CMHKPVKQXSUEMN-UHFFFAOYSA-N -1 3 370.369 0.569 10 0 FCAEHM CNC(=O)c1n[n-]nc1NC(=O)CCCCN1C(=O)c2ccccc2C1=O ZINC000411093630 490386176 /nfs/dbraw/zinc/38/61/76/490386176.db2.gz CMHKPVKQXSUEMN-UHFFFAOYSA-N -1 3 370.369 0.569 10 0 FCAEHM O=C(c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1)N1C[C@H](O)C2(CC2)C1 ZINC000547981888 490401949 /nfs/dbraw/zinc/40/19/49/490401949.db2.gz DVWBOYXCNISIDG-INIZCTEOSA-N -1 3 373.434 0.901 10 0 FCAEHM CCOC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1csnc1C(=O)OC ZINC000534818511 490412307 /nfs/dbraw/zinc/41/23/07/490412307.db2.gz MLDZSSWWGLQMNZ-MRVPVSSYSA-N -1 3 350.418 0.940 10 0 FCAEHM O=C([N-]c1nccn1-c1ccccc1)C(=O)N1CCO[C@]2(CCOC2)C1 ZINC000411366129 490439640 /nfs/dbraw/zinc/43/96/40/490439640.db2.gz DSIKORJDZFKUGH-GOSISDBHSA-N -1 3 356.382 0.829 10 0 FCAEHM C[C@H](NC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1)C(N)=O ZINC000509621145 490444026 /nfs/dbraw/zinc/44/40/26/490444026.db2.gz PZHVAHQJEWYODW-QMMMGPOBSA-N -1 3 357.413 0.423 10 0 FCAEHM COC(=O)[C@@H]1CCN(C(=O)NCc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)C1 ZINC000523215833 490449747 /nfs/dbraw/zinc/44/97/47/490449747.db2.gz GVIRDDBKAWOBHT-XIKOKIGWSA-N -1 3 374.397 0.446 10 0 FCAEHM O=C(CNC(=O)c1cccc([O-])c1)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000548319392 490460280 /nfs/dbraw/zinc/46/02/80/490460280.db2.gz MUWUEZPSWCRSCV-INIZCTEOSA-N -1 3 368.393 0.829 10 0 FCAEHM COCCN1C(=O)CCc2cc(NC(=O)C[C@@H]3NC(=O)[N-]C3=O)ccc21 ZINC000548316451 490460967 /nfs/dbraw/zinc/46/09/67/490460967.db2.gz HLARPTVRCAXVNZ-LBPRGKRZSA-N -1 3 360.370 0.149 10 0 FCAEHM CCCc1nc(=NC(=O)C(=O)N2CC[C@@H](N3CCCC3)[C@@H]2C)s[n-]1 ZINC000411525403 490476953 /nfs/dbraw/zinc/47/69/53/490476953.db2.gz BGQAELPVYDZTIO-NWDGAFQWSA-N -1 3 351.476 0.936 10 0 FCAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C1CCC(C(N)=O)CC1 ZINC000451177146 490524225 /nfs/dbraw/zinc/52/42/25/490524225.db2.gz GVHHJLULBLOABQ-UDNWOFFPSA-N -1 3 374.381 0.834 10 0 FCAEHM CCOCCOC[C@H](O)CNC(=O)c1c[n-]c2cc(OC)ccc2c1=O ZINC000485643762 490550978 /nfs/dbraw/zinc/55/09/78/490550978.db2.gz MIYHEKURRUTYCJ-GFCCVEGCSA-N -1 3 364.398 0.681 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NCCNC(=O)C(C)C ZINC000510945073 490551611 /nfs/dbraw/zinc/55/16/11/490551611.db2.gz LHZAYQUILRTBCX-UHFFFAOYSA-N -1 3 371.441 0.961 10 0 FCAEHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000485845089 490563917 /nfs/dbraw/zinc/56/39/17/490563917.db2.gz DPEIJXSILUJZEC-NXEZZACHSA-N -1 3 358.416 0.951 10 0 FCAEHM C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000549258171 490571932 /nfs/dbraw/zinc/57/19/32/490571932.db2.gz VLSFPUDXNRLKPE-LLVKDONJSA-N -1 3 368.397 0.777 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC000536566159 490593009 /nfs/dbraw/zinc/59/30/09/490593009.db2.gz SQDHBRZIJQZJMJ-LLVKDONJSA-N -1 3 355.398 0.998 10 0 FCAEHM CN(C)c1nc(C(=O)N2CCC[C@H](c3nnc4n3CCC4)C2)cc(=O)[n-]1 ZINC000549707464 490594586 /nfs/dbraw/zinc/59/45/86/490594586.db2.gz KOWYPTBJYJVTCR-NSHDSACASA-N -1 3 357.418 0.806 10 0 FCAEHM CS(=O)(=O)N1CCCC[C@@H]1C[N-]S(=O)(=O)c1cncc(F)c1 ZINC000511432508 490595278 /nfs/dbraw/zinc/59/52/78/490595278.db2.gz YOTFREMJOYFCFK-LLVKDONJSA-N -1 3 351.425 0.313 10 0 FCAEHM CCOC(=O)C[C@H]1C[C@@H](OC)CN1C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000549731148 490598229 /nfs/dbraw/zinc/59/82/29/490598229.db2.gz DHAQBBYVBDZNLJ-GHMZBOCLSA-N -1 3 352.391 0.431 10 0 FCAEHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]C[C@@]1(CCO)CCOC1 ZINC000486410782 490621086 /nfs/dbraw/zinc/62/10/86/490621086.db2.gz VSMVNSVOYRPKRM-OAHLLOKOSA-N -1 3 361.416 0.696 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)NCCCn2ccnn2)ccc1F ZINC000486506147 490641632 /nfs/dbraw/zinc/64/16/32/490641632.db2.gz NEJHFNJXHGFVFS-UHFFFAOYSA-N -1 3 356.383 0.537 10 0 FCAEHM CS(=O)(=O)c1ccc(C[N-]S(=O)(=O)c2cnc3n2CCC3)s1 ZINC000526049758 490669838 /nfs/dbraw/zinc/66/98/38/490669838.db2.gz PQNYPONUNLCUNP-UHFFFAOYSA-N -1 3 361.470 0.773 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CCN2C(=O)N=NC2C1 ZINC000526122050 490676381 /nfs/dbraw/zinc/67/63/81/490676381.db2.gz KXAKFTWDSDKHFS-UHFFFAOYSA-N -1 3 355.358 0.504 10 0 FCAEHM COC(=O)c1csc(S(=O)(=O)[N-]CC(=O)NCc2ccco2)c1 ZINC000502179183 490684029 /nfs/dbraw/zinc/68/40/29/490684029.db2.gz UAKKAKJHFMTAEO-UHFFFAOYSA-N -1 3 358.397 0.722 10 0 FCAEHM COC(=O)CCN(C)S(=O)(=O)[N-][C@@H](C(=O)OC)c1ccc(OC)cc1 ZINC000486992953 490684947 /nfs/dbraw/zinc/68/49/47/490684947.db2.gz BDRBVVDWOSZCNV-CQSZACIVSA-N -1 3 374.415 0.239 10 0 FCAEHM O=C1[N-]C(=O)N2CCN(C[C@@H](O)COc3c(Cl)cccc3Cl)C[C@H]12 ZINC000537609725 490685756 /nfs/dbraw/zinc/68/57/56/490685756.db2.gz ASOCZMQYKNPOSE-BXKDBHETSA-N -1 3 374.224 0.969 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)NC[C@@]1(CCO)CCOC1 ZINC000572084460 491347826 /nfs/dbraw/zinc/34/78/26/491347826.db2.gz GKLBGZHUAOSONF-OAHLLOKOSA-N -1 3 360.407 0.009 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2Cc2cc(Cl)cc(S(N)(=O)=O)c2)nc1=N ZINC000565049690 491347982 /nfs/dbraw/zinc/34/79/82/491347982.db2.gz RSCGIQUBMNDRFL-LBPRGKRZSA-N -1 3 370.866 0.866 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CCCC(=O)NC1CC1 ZINC000538013645 490705334 /nfs/dbraw/zinc/70/53/34/490705334.db2.gz FFVLJLDLYDTGPE-UHFFFAOYSA-N -1 3 360.457 0.427 10 0 FCAEHM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1sc(C)nc1C ZINC000487341424 490706464 /nfs/dbraw/zinc/70/64/64/490706464.db2.gz DHCHKCNPXPDFIV-SFYZADRCSA-N -1 3 363.461 0.495 10 0 FCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccc(C)c1F ZINC000487343640 490706859 /nfs/dbraw/zinc/70/68/59/490706859.db2.gz VKYXWRDFFMQALZ-GHMZBOCLSA-N -1 3 360.407 0.869 10 0 FCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000487378470 490709288 /nfs/dbraw/zinc/70/92/88/490709288.db2.gz QFSFEALLZOLMQW-GHMZBOCLSA-N -1 3 360.407 0.869 10 0 FCAEHM Cn1c(=O)[nH]c(=O)c2c(C(=O)NCc3ncccc3[O-])cc(C3CC3)nc21 ZINC000527481197 490728732 /nfs/dbraw/zinc/72/87/32/490728732.db2.gz ODHZSOGOPDAXGX-UHFFFAOYSA-N -1 3 367.365 0.942 10 0 FCAEHM CC1(C)Cc2ccc(C(=O)N[C@@H]3CCN(S(C)(=O)=O)C3)c([O-])c2O1 ZINC000572128982 491350362 /nfs/dbraw/zinc/35/03/62/491350362.db2.gz WEDGWQIQRHPTBE-LLVKDONJSA-N -1 3 354.428 0.869 10 0 FCAEHM Cc1nc(C)c(CCC(=O)N2CCC[C@H](S(=O)(=O)N(C)C)C2)c(=O)[n-]1 ZINC000557080453 491351880 /nfs/dbraw/zinc/35/18/80/491351880.db2.gz QDHUYICLUPWYLY-ZDUSSCGKSA-N -1 3 370.475 0.614 10 0 FCAEHM Cc1nc(NCc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)nc(N(C)C)n1 ZINC000488418930 490760220 /nfs/dbraw/zinc/76/02/20/490760220.db2.gz UDTKMYGHJKFKLU-KRWDZBQOSA-N -1 3 355.402 0.913 10 0 FCAEHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC000527794829 490760312 /nfs/dbraw/zinc/76/03/12/490760312.db2.gz AAIVWZMSCFIRQM-LLVKDONJSA-N -1 3 365.415 0.938 10 0 FCAEHM CN(C)c1ncc(NC(=O)c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)cn1 ZINC000503676619 490769995 /nfs/dbraw/zinc/76/99/95/490769995.db2.gz LEVVMHBVKQCHPB-KRWDZBQOSA-N -1 3 354.370 0.850 10 0 FCAEHM O=C1[N-]C(=O)[C@H](Cc2nc(-c3cccc(CN4CCOCC4)c3)no2)N1 ZINC000539368455 490780170 /nfs/dbraw/zinc/78/01/70/490780170.db2.gz NWLVYIXDNFLXAR-ZDUSSCGKSA-N -1 3 357.370 0.319 10 0 FCAEHM CCn1ncc(C[N-]S(=O)(=O)Cc2cccc(S(C)(=O)=O)c2)n1 ZINC000528454252 490798832 /nfs/dbraw/zinc/79/88/32/490798832.db2.gz WQYPRIABYFGDMU-UHFFFAOYSA-N -1 3 358.445 0.321 10 0 FCAEHM CCOC(=O)CCCn1cc(I)c(=O)[n-]c1=O ZINC000514949770 490799962 /nfs/dbraw/zinc/79/99/62/490799962.db2.gz KKLXCTURTHSRFL-UHFFFAOYSA-N -1 3 352.128 0.897 10 0 FCAEHM CCNS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@]12C[C@H]1COC2(C)C ZINC000528492000 490803651 /nfs/dbraw/zinc/80/36/51/490803651.db2.gz MQGJFTQVMWNGBE-XHDPSFHLSA-N -1 3 374.484 0.831 10 0 FCAEHM COC(=O)[C@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1ccc(Cl)c(F)c1 ZINC000540199368 490809150 /nfs/dbraw/zinc/80/91/50/490809150.db2.gz YOIHVQXWNOPQNC-GXSJLCMTSA-N -1 3 357.725 0.408 10 0 FCAEHM O=C1NC(=O)N2CCN(Cc3nc4c5ccccc5oc4c(=O)[n-]3)C[C@@H]12 ZINC000540911668 490839544 /nfs/dbraw/zinc/83/95/44/490839544.db2.gz YFONTXPDUICBTF-JTQLQIEISA-N -1 3 353.338 0.818 10 0 FCAEHM COc1cc(C(=O)N2CC[C@@H](N(C)Cc3cc(=O)[n-]c(N)n3)C2)cc(C)n1 ZINC000505973388 490846164 /nfs/dbraw/zinc/84/61/64/490846164.db2.gz IVKWUAJPHIVYBU-CQSZACIVSA-N -1 3 372.429 0.823 10 0 FCAEHM Cn1c(C[N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)nnc1C1CC1 ZINC000541046221 490848499 /nfs/dbraw/zinc/84/84/99/490848499.db2.gz BSNQVGSOGCLROG-UHFFFAOYSA-N -1 3 370.456 0.575 10 0 FCAEHM CNC(=O)NC[C@H]1CN(C(=O)c2c[n-]c3ccc(C)cc3c2=O)CCO1 ZINC000529742637 490871231 /nfs/dbraw/zinc/87/12/31/490871231.db2.gz IRADPFHSESNUPI-LBPRGKRZSA-N -1 3 358.398 0.607 10 0 FCAEHM NS(=O)(=O)c1ccc([O-])c(C(=O)NC[C@H]2CCN2C2CCCC2)c1 ZINC000530023935 490886195 /nfs/dbraw/zinc/88/61/95/490886195.db2.gz YPPLODFIWUBUIN-GFCCVEGCSA-N -1 3 353.444 0.786 10 0 FCAEHM Cc1cc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)ccc1-n1nnnc1C(C)C ZINC000542441764 490897106 /nfs/dbraw/zinc/89/71/06/490897106.db2.gz RNMTVHCPTRHQAV-NSHDSACASA-N -1 3 357.374 0.631 10 0 FCAEHM CNC(=O)NC[C@@H]1CN(C(=O)c2c[n-]c3cc(OC)ccc3c2=O)CCO1 ZINC000530273145 490897367 /nfs/dbraw/zinc/89/73/67/490897367.db2.gz LCCDWYAJWVXAJX-GFCCVEGCSA-N -1 3 374.397 0.307 10 0 FCAEHM C[C@H]1CCN(C(=O)C(=O)NCc2cccc(CN(C)C)c2)C[C@H]1C(=O)[O-] ZINC000517236487 490900666 /nfs/dbraw/zinc/90/06/66/490900666.db2.gz XZTOBKJXNFNEOE-XJKSGUPXSA-N -1 3 361.442 0.934 10 0 FCAEHM C[C@]1(c2ccc(CNC(=O)N3CCn4nncc4C3)cc2)NC(=O)[N-]C1=O ZINC000517583665 490913608 /nfs/dbraw/zinc/91/36/08/490913608.db2.gz OEAZUIQRXNCRIR-QGZVFWFLSA-N -1 3 369.385 0.058 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)NCCCC2CC2)s1 ZINC000530583962 490914460 /nfs/dbraw/zinc/91/44/60/490914460.db2.gz MRXKEYKVMDRKHH-UHFFFAOYSA-N -1 3 373.500 0.969 10 0 FCAEHM Cc1cc(C)n(-c2ccc(CCNC(=O)CN3CC(=O)[N-]C3=O)cc2)n1 ZINC000517704944 490917202 /nfs/dbraw/zinc/91/72/02/490917202.db2.gz HVPTXKRTXHMMOY-UHFFFAOYSA-N -1 3 355.398 0.700 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2c(C(=O)NC3(CC(N)=O)CCC3)cc(C3CC3)nc21 ZINC000530775152 490923777 /nfs/dbraw/zinc/92/37/77/490923777.db2.gz WVEIHBGSEVBXBA-UHFFFAOYSA-N -1 3 371.397 0.439 10 0 FCAEHM COCCS(=O)(=O)[N-]c1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000517911096 490924566 /nfs/dbraw/zinc/92/45/66/490924566.db2.gz DCSPUXBTRCUYFT-UHFFFAOYSA-N -1 3 355.460 0.900 10 0 FCAEHM COC(=O)CSCC[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000517965290 490926637 /nfs/dbraw/zinc/92/66/37/490926637.db2.gz GIQYTYUYLFSSSN-UHFFFAOYSA-N -1 3 367.470 0.275 10 0 FCAEHM Cc1ccc2c(=O)c(C(=O)N3CCN(C(=O)CN(C)C)CC3)c[n-]c2n1 ZINC000518037889 490928889 /nfs/dbraw/zinc/92/88/89/490928889.db2.gz XTRJTPAVLOLYSL-UHFFFAOYSA-N -1 3 357.414 0.490 10 0 FCAEHM Cc1ccc2c([O-])c(C(=O)N3CCN(C(=O)CN(C)C)CC3)cnc2n1 ZINC000518037889 490928891 /nfs/dbraw/zinc/92/88/91/490928891.db2.gz XTRJTPAVLOLYSL-UHFFFAOYSA-N -1 3 357.414 0.490 10 0 FCAEHM CNC(=O)[C@H]1CCCN1C(=O)C[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000518422850 490940860 /nfs/dbraw/zinc/94/08/60/490940860.db2.gz CCELLAQLSMRUJY-CYBMUJFWSA-N -1 3 373.862 0.496 10 0 FCAEHM CN1CCC[C@@H](NC(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)C1=O ZINC000531246638 490947886 /nfs/dbraw/zinc/94/78/86/490947886.db2.gz IOIATSACOGNCPB-OAHLLOKOSA-N -1 3 360.414 0.480 10 0 FCAEHM NC(=O)COc1ccc(Cl)cc1S(=O)(=O)[N-]CC[C@@H]1CCOC1 ZINC000544113412 490957601 /nfs/dbraw/zinc/95/76/01/490957601.db2.gz RGJAEKDWMITDGS-SNVBAGLBSA-N -1 3 362.835 0.909 10 0 FCAEHM COC[C@@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)c1ccc(F)cc1 ZINC000531788116 490974039 /nfs/dbraw/zinc/97/40/39/490974039.db2.gz CJWUTGKJAXMXAK-CYBMUJFWSA-N -1 3 370.406 0.341 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2CC(=O)NC[C@@H]2Cc3ccccc3O2)nc1=N ZINC000519625139 490980183 /nfs/dbraw/zinc/98/01/83/490980183.db2.gz FKCYGZUEWRYZDJ-KBPBESRZSA-N -1 3 356.430 0.484 10 0 FCAEHM Cc1nccc(C[N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)n1 ZINC000531910472 490980704 /nfs/dbraw/zinc/98/07/04/490980704.db2.gz OJXVASJAAPVCOG-UHFFFAOYSA-N -1 3 353.425 0.593 10 0 FCAEHM COc1ccc(COCCCc2noc(C[C@@H]3NC(=O)[N-]C3=O)n2)cc1 ZINC000545130188 490988240 /nfs/dbraw/zinc/98/82/40/490988240.db2.gz PPKUEABLPFSJKL-ZDUSSCGKSA-N -1 3 360.370 0.978 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)OC)nc2)cn1 ZINC000613813352 492000808 /nfs/dbraw/zinc/00/08/08/492000808.db2.gz JGOOBFGRKIHDDV-UHFFFAOYSA-N -1 3 350.356 0.424 10 0 FCAEHM COCc1ccccc1CS(=O)(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000569722038 491185497 /nfs/dbraw/zinc/18/54/97/491185497.db2.gz VDQWPRGXZFQZTB-INIZCTEOSA-N -1 3 367.427 0.337 10 0 FCAEHM COC(=O)C(C)(C)CS(=O)(=O)[N-]Cc1ncccc1S(C)(=O)=O ZINC000569734107 491187096 /nfs/dbraw/zinc/18/70/96/491187096.db2.gz ZSAYPUYTJXENKL-UHFFFAOYSA-N -1 3 364.445 0.104 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)NCCC3(F)CCC3)cnc21 ZINC000557863710 491401982 /nfs/dbraw/zinc/40/19/82/491401982.db2.gz MGYRCXJBVUTOOP-UHFFFAOYSA-N -1 3 356.379 0.595 10 0 FCAEHM Cc1nnnn1-c1ccc(C(=O)N2CCC[C@H]2c2nc(=N)n(C)[n-]2)cc1 ZINC000573008166 491407062 /nfs/dbraw/zinc/40/70/62/491407062.db2.gz WFIATNAACXZNJL-ZDUSSCGKSA-N -1 3 353.390 0.489 10 0 FCAEHM COC(=O)CC1(NC(=O)c2cc(C3CC3)nc3c2c(=O)[n-]c(=O)n3C)CC1 ZINC000565956314 491409256 /nfs/dbraw/zinc/40/92/56/491409256.db2.gz GKLYKNLPEHYITK-UHFFFAOYSA-N -1 3 372.381 0.737 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)CNC(=O)c2cccc(Cl)c2)nc1=N ZINC000558400985 491429143 /nfs/dbraw/zinc/42/91/43/491429143.db2.gz KIWSCQVVISTHJY-GFCCVEGCSA-N -1 3 362.821 0.975 10 0 FCAEHM C[C@@](O)(CO)CNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000566282426 491432557 /nfs/dbraw/zinc/43/25/57/491432557.db2.gz GBOPQCWSNLZQQR-LBPRGKRZSA-N -1 3 371.242 0.131 10 0 FCAEHM C[C@@]1(c2ccc(CNC(=O)N3C[C@@H]4COC[C@H](C3)O4)cc2)NC(=O)[N-]C1=O ZINC000558940578 491449103 /nfs/dbraw/zinc/44/91/03/491449103.db2.gz XELOWKLXERVAPW-IYOUNJFTSA-N -1 3 374.397 0.050 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N3CC(C(C)(C)C)C3)cnc21 ZINC000573698325 491449346 /nfs/dbraw/zinc/44/93/46/491449346.db2.gz JOCCXINKRJSHGR-UHFFFAOYSA-N -1 3 352.416 0.701 10 0 FCAEHM COC(=O)[C@@H](CNC(=O)c1cc(=O)[n-]c(N(C)C)n1)Cc1ccc(O)cc1 ZINC000559013767 491451312 /nfs/dbraw/zinc/45/13/12/491451312.db2.gz XDZCACOCISMXFA-GFCCVEGCSA-N -1 3 374.397 0.716 10 0 FCAEHM Cc1nnc(COCC(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)s1 ZINC000573811320 491456478 /nfs/dbraw/zinc/45/64/78/491456478.db2.gz IHPPXJUTBHKMND-UHFFFAOYSA-N -1 3 363.399 0.898 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)CCn2c3ccccc3n(C)c2=O)nc1=N ZINC000559263399 491459414 /nfs/dbraw/zinc/45/94/14/491459414.db2.gz UESWWXHBWAZIGV-CQSZACIVSA-N -1 3 369.429 0.635 10 0 FCAEHM CO[C@@H]1CC[C@@H](NC(=O)N2CC[C@H](N(C)Cc3cc(=O)[n-]c(N)n3)C2)C1 ZINC000574533144 491503395 /nfs/dbraw/zinc/50/33/95/491503395.db2.gz CJAGCLVJGZXGGT-KWCYVHTRSA-N -1 3 364.450 0.548 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)c2cccc(N3CCN(C)CC3)n2)nc1=N ZINC000567478076 491508391 /nfs/dbraw/zinc/50/83/91/491508391.db2.gz BZAYIIWIWGDKIE-AWEZNQCLSA-N -1 3 370.461 0.352 10 0 FCAEHM CNC(=O)[C@H](CN=c1ncnc2[nH][n-]cc1-2)Cc1ccc(OC)c(F)c1 ZINC000567768737 491528235 /nfs/dbraw/zinc/52/82/35/491528235.db2.gz XBNNEWKBWZNKMF-NSHDSACASA-N -1 3 358.377 0.891 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)CNC(=O)Cc2cccc(F)c2)nc1=N ZINC000567964835 491543738 /nfs/dbraw/zinc/54/37/38/491543738.db2.gz FFADIRAKBDVJQJ-CYBMUJFWSA-N -1 3 360.393 0.389 10 0 FCAEHM CCS(=O)(=O)NCCS(=O)(=O)[N-][C@@H](c1ccccc1F)[C@H](C)O ZINC000568032757 491549222 /nfs/dbraw/zinc/54/92/22/491549222.db2.gz QNHHXHWKEOMSJI-GXFFZTMASA-N -1 3 368.452 0.106 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-][C@H](C(=O)OC)[C@@H]2CCC[C@@H](OC)C2)c1 ZINC000568037490 491549610 /nfs/dbraw/zinc/54/96/10/491549610.db2.gz ADYGWRBMJRENMV-BZPMIXESSA-N -1 3 359.448 0.928 10 0 FCAEHM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1C[C@H](C)N(CCO)C[C@H]1C ZINC000568227579 491561284 /nfs/dbraw/zinc/56/12/84/491561284.db2.gz NALXVBZVGVMESW-NWDGAFQWSA-N -1 3 361.446 0.508 10 0 FCAEHM CC[C@H](C)C[C@@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1)C(=O)OC ZINC000575805270 491562301 /nfs/dbraw/zinc/56/23/01/491562301.db2.gz ATWULTUVALYDAP-CMPLNLGQSA-N -1 3 374.463 0.101 10 0 FCAEHM O=C(Cn1cc(I)c(=O)[n-]c1=O)[C@H]1CCOC1 ZINC000568271592 491565476 /nfs/dbraw/zinc/56/54/76/491565476.db2.gz FZFWLBVSDGKLGV-LURJTMIESA-N -1 3 350.112 0.159 10 0 FCAEHM Cc1nnc(Cn2cc(I)c(=O)[n-]c2=O)n1C1CC1 ZINC000568271962 491565575 /nfs/dbraw/zinc/56/55/75/491565575.db2.gz LVIXFNUXZHSUIT-UHFFFAOYSA-N -1 3 373.154 0.837 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1ccc(F)cc1OC1CCOCC1 ZINC000561128304 491577352 /nfs/dbraw/zinc/57/73/52/491577352.db2.gz BIGUIUVGLKQJMB-UHFFFAOYSA-N -1 3 351.334 0.874 10 0 FCAEHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1C[C@H](O)C[C@H](O)C1 ZINC000683491783 493355696 /nfs/dbraw/zinc/35/56/96/493355696.db2.gz RYIFIJFLKSIIEZ-AOOOYVTPSA-N -1 3 367.199 0.858 10 0 FCAEHM CC1(C(N)=O)CN(C(=O)Cc2csc(NC(=O)c3cccc([O-])c3)n2)C1 ZINC000568988085 491624938 /nfs/dbraw/zinc/62/49/38/491624938.db2.gz NIYHDVAMFVRXAY-UHFFFAOYSA-N -1 3 374.422 0.977 10 0 FCAEHM CCC1(CC)NC(=O)N(CC(=O)N2CCC[C@H]2c2nc(=N)n(C)[n-]2)C1=O ZINC000569172046 491639947 /nfs/dbraw/zinc/63/99/47/491639947.db2.gz OMSPASNASORVGJ-JTQLQIEISA-N -1 3 363.422 0.002 10 0 FCAEHM CS(=O)(=O)CCCS(=O)(=O)[N-][C@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC000562063051 491651530 /nfs/dbraw/zinc/65/15/30/491651530.db2.gz UWFGINNPMMSSTI-CHWSQXEVSA-N -1 3 369.505 0.051 10 0 FCAEHM C[C@H]1CCN(CC(=O)N(CCC(N)=O)Cc2ccccc2)C[C@H]1C(=O)[O-] ZINC000569361773 491656275 /nfs/dbraw/zinc/65/62/75/491656275.db2.gz RNEWWNJJDYEGNJ-GOEBONIOSA-N -1 3 361.442 0.933 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)NCC[C@H](O)C(F)(F)F ZINC000562158185 491656443 /nfs/dbraw/zinc/65/64/43/491656443.db2.gz TXRVMVDOLXMNGB-JTQLQIEISA-N -1 3 358.313 0.534 10 0 FCAEHM C[C@H]1CN(C(=O)C[N-]S(=O)(=O)c2ccccc2F)[C@@H](C)CN1CCO ZINC000576946894 491658996 /nfs/dbraw/zinc/65/89/96/491658996.db2.gz YINHJHBRGQGHJN-STQMWFEESA-N -1 3 373.450 0.018 10 0 FCAEHM O=C(Cc1ccn(-c2ccc(F)cc2)n1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000577028055 491665448 /nfs/dbraw/zinc/66/54/48/491665448.db2.gz YPZZPZYHXSEFAT-GOSISDBHSA-N -1 3 371.372 0.755 10 0 FCAEHM COc1cccnc1C[N-]S(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000578150537 491670973 /nfs/dbraw/zinc/67/09/73/491670973.db2.gz GBGXXMZOLOTFAD-UHFFFAOYSA-N -1 3 368.436 0.899 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@H]2COCC[C@@H]21 ZINC000578287253 491673996 /nfs/dbraw/zinc/67/39/96/491673996.db2.gz UFSPSCVPGBIWDB-STQMWFEESA-N -1 3 374.484 0.784 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1ccc(Cc2nnc3n2CCC3)cc1 ZINC000579303735 491694971 /nfs/dbraw/zinc/69/49/71/491694971.db2.gz NASFOEXYJIWZJW-UHFFFAOYSA-N -1 3 354.370 0.305 10 0 FCAEHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)Nc2cn(C)nn2)cc1 ZINC000579546118 491700169 /nfs/dbraw/zinc/70/01/69/491700169.db2.gz PPPSTKRYNCWZJV-UHFFFAOYSA-N -1 3 353.404 0.983 10 0 FCAEHM C[C@@]1(c2ccc(C(=O)NCc3cccc(CO)n3)cc2)NC(=O)[N-]C1=O ZINC000584866905 491717955 /nfs/dbraw/zinc/71/79/55/491717955.db2.gz XCUQMDSFWIJIMQ-SFHVURJKSA-N -1 3 354.366 0.559 10 0 FCAEHM COc1ccc(S(=O)(=O)NCC[C@@H](C)F)cc1[C@]1(C)NC(=O)[N-]C1=O ZINC000580585869 491737374 /nfs/dbraw/zinc/73/73/74/491737374.db2.gz XNZNMIKAIAQCPY-PSLIRLAXSA-N -1 3 373.406 0.776 10 0 FCAEHM COC(=O)[C@H](CF)[N-]S(=O)(=O)c1ccc([C@@H](C)NC(C)=O)s1 ZINC000588142352 491741109 /nfs/dbraw/zinc/74/11/09/491741109.db2.gz RWWRXHMUNALXLN-APPZFPTMSA-N -1 3 352.409 0.735 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C[C@]1(CCO)CCOC1 ZINC000581040215 491756855 /nfs/dbraw/zinc/75/68/55/491756855.db2.gz LSJLKTUHAKRAJD-HNNXBMFYSA-N -1 3 361.416 0.750 10 0 FCAEHM CC1(C)Cc2ccc(C(=O)NCCN3CCCS3(=O)=O)c([O-])c2O1 ZINC000590962396 491789870 /nfs/dbraw/zinc/78/98/70/491789870.db2.gz UHZRHCWJIVGELZ-UHFFFAOYSA-N -1 3 354.428 0.871 10 0 FCAEHM CC(C)(C)OC(=O)CC1(C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)CCC1 ZINC000582064875 491796355 /nfs/dbraw/zinc/79/63/55/491796355.db2.gz SKQJGXHVULCXJO-NSHDSACASA-N -1 3 351.403 0.651 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-][C@H]2CCN(c3ccccc3C(N)=O)C2)c1 ZINC000673822117 493364436 /nfs/dbraw/zinc/36/44/36/493364436.db2.gz JIHNJAMMIRYOBJ-LBPRGKRZSA-N -1 3 363.443 0.559 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]Cc2cc(S(N)(=O)=O)ccc2F)c1 ZINC000673822309 493364452 /nfs/dbraw/zinc/36/44/52/493364452.db2.gz KUVZOJILNZSWKO-UHFFFAOYSA-N -1 3 362.408 0.168 10 0 FCAEHM COC(=O)c1sccc1S(=O)(=O)[N-]CC(C)(C)[C@@]1(O)CCOC1 ZINC000592088110 491831273 /nfs/dbraw/zinc/83/12/73/491831273.db2.gz UVVNMMMWLDZQNC-CQSZACIVSA-N -1 3 363.457 0.991 10 0 FCAEHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(N(C)C)cc1)c1ccnn1C ZINC000592095301 491831963 /nfs/dbraw/zinc/83/19/63/491831963.db2.gz XSEXAXYUHBWEIK-CQSZACIVSA-N -1 3 352.416 0.679 10 0 FCAEHM O=S(=O)([N-]CCCN1CCN(c2ncccn2)CC1)c1cscn1 ZINC000583496594 491846218 /nfs/dbraw/zinc/84/62/18/491846218.db2.gz APYYGFISKLDLQI-UHFFFAOYSA-N -1 3 368.488 0.424 10 0 FCAEHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc(CN2CCOCC2)cn1 ZINC000584092065 491858448 /nfs/dbraw/zinc/85/84/48/491858448.db2.gz ZNBHJPWKUUFIOD-UHFFFAOYSA-N -1 3 356.308 1.303 10 0 FCAEHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc(CN2CCOCC2)cn1 ZINC000584092065 491858449 /nfs/dbraw/zinc/85/84/49/491858449.db2.gz ZNBHJPWKUUFIOD-UHFFFAOYSA-N -1 3 356.308 1.303 10 0 FCAEHM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(CN2CCOCC2)cn1 ZINC000584092065 491858450 /nfs/dbraw/zinc/85/84/50/491858450.db2.gz ZNBHJPWKUUFIOD-UHFFFAOYSA-N -1 3 356.308 1.303 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CC[C@@H](C)S(=O)(=O)C2)s1 ZINC000594847336 491865984 /nfs/dbraw/zinc/86/59/84/491865984.db2.gz DGSPYEFGMAYRDG-BDAKNGLRSA-N -1 3 367.470 0.779 10 0 FCAEHM CCn1cc(S(=O)(=O)[N-][C@@]2(C(=O)OC(C)(C)C)CCOC2)nc1C ZINC000594843955 491865008 /nfs/dbraw/zinc/86/50/08/491865008.db2.gz VIKVDBXVNCTYFU-HNNXBMFYSA-N -1 3 359.448 0.991 10 0 FCAEHM COC(=O)c1ncccc1S(=O)(=O)[N-][C@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000594849006 491866460 /nfs/dbraw/zinc/86/64/60/491866460.db2.gz IJVRVZVBFIUZCC-ZJUUUORDSA-N -1 3 362.429 0.112 10 0 FCAEHM COC(=O)[C@](C)(CCF)[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000594867199 491868656 /nfs/dbraw/zinc/86/86/56/491868656.db2.gz ZIPBHDUPUYKRTP-AWEZNQCLSA-N -1 3 364.395 0.859 10 0 FCAEHM COc1cc(CCC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)cc(OC)c1O ZINC000611957254 491885762 /nfs/dbraw/zinc/88/57/62/491885762.db2.gz VSPUBZGRYUQKEK-NSHDSACASA-N -1 3 363.370 0.105 10 0 FCAEHM CC(C)(C)n1nnc(C(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)n1 ZINC000612137142 491900197 /nfs/dbraw/zinc/90/01/97/491900197.db2.gz NIHYTKPBOAEWAQ-UHFFFAOYSA-N -1 3 358.402 0.732 10 0 FCAEHM O=C(CN1CCN(C2CC2)C1=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000612381247 491913383 /nfs/dbraw/zinc/91/33/83/491913383.db2.gz ACZDENMJPFEUQW-UHFFFAOYSA-N -1 3 372.425 0.577 10 0 FCAEHM COCCN1CCC[C@H]1C[N-]S(=O)(=O)c1cc(C)c(C(=O)OC)o1 ZINC000595318658 491917929 /nfs/dbraw/zinc/91/79/29/491917929.db2.gz TWVFCJPDEPXMEC-LBPRGKRZSA-N -1 3 360.432 0.764 10 0 FCAEHM CCS(=O)(=O)C1(C[N-]S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 ZINC000595364716 491924492 /nfs/dbraw/zinc/92/44/92/491924492.db2.gz SHZAFYAJCBJJNB-UHFFFAOYSA-N -1 3 367.470 0.780 10 0 FCAEHM COC(=O)CC[C@H](C(=O)OC)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000595378410 491925965 /nfs/dbraw/zinc/92/59/65/491925965.db2.gz SXPOKYXROMVZCG-OAHLLOKOSA-N -1 3 364.398 0.645 10 0 FCAEHM COC(=O)CCCS(=O)(=O)[N-]C1(C(=O)OC(C)(C)C)CCOCC1 ZINC000595400725 491928603 /nfs/dbraw/zinc/92/86/03/491928603.db2.gz HRAUAWHAOAJUJN-UHFFFAOYSA-N -1 3 365.448 0.750 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2[C@H]2CCN(CC(=O)OC(C)(C)C)C2=O)nc1=N ZINC000595470442 491934143 /nfs/dbraw/zinc/93/41/43/491934143.db2.gz NWVLDIYEGCQMTP-RYUDHWBXSA-N -1 3 364.450 0.307 10 0 FCAEHM O=C(CN1CCN(C2CC2)C1=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000612626774 491940500 /nfs/dbraw/zinc/94/05/00/491940500.db2.gz OWCHKZXFTZKYDX-UHFFFAOYSA-N -1 3 360.414 0.528 10 0 FCAEHM COc1cc(CC(=O)NCC[N-]S(=O)(=O)c2cccs2)ccn1 ZINC000612739538 491948016 /nfs/dbraw/zinc/94/80/16/491948016.db2.gz NZJDWYLTQFDVLA-UHFFFAOYSA-N -1 3 355.441 0.789 10 0 FCAEHM CSCC[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC1COC1 ZINC000601847488 491951391 /nfs/dbraw/zinc/95/13/91/491951391.db2.gz QKBYJTKKDUZGSW-GFCCVEGCSA-N -1 3 362.448 0.741 10 0 FCAEHM O=C(CN1C[C@@H]2COC[C@]2(C(=O)[O-])C1)NC(=O)NCc1cccs1 ZINC000595885177 491958799 /nfs/dbraw/zinc/95/87/99/491958799.db2.gz PIQDPARKUOZIOF-MEBBXXQBSA-N -1 3 353.400 0.107 10 0 FCAEHM COC(=O)CCN1CC[C@@H](N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)C1=O ZINC000595877005 491959086 /nfs/dbraw/zinc/95/90/86/491959086.db2.gz GRONWBUODBXENM-OWCLPIDISA-N -1 3 360.410 0.951 10 0 FCAEHM COC(=O)[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(C[C@H]3NC(=O)[N-]C3=O)cc2)C1 ZINC000596815736 492001160 /nfs/dbraw/zinc/00/11/60/492001160.db2.gz JLVSVKYMSRNEOX-KWCYVHTRSA-N -1 3 374.397 0.852 10 0 FCAEHM O=C([C@@H]1OCCO[C@@H]1c1ccccc1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000614199858 492019298 /nfs/dbraw/zinc/01/92/98/492019298.db2.gz VLZMHRVRELCFGV-LBTNJELSSA-N -1 3 359.382 0.344 10 0 FCAEHM COC(=O)CCS(=O)(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000603977209 492048379 /nfs/dbraw/zinc/04/83/79/492048379.db2.gz XQPIKYCEHGNNLU-CQSZACIVSA-N -1 3 355.372 0.046 10 0 FCAEHM COC(=O)c1cc(C(=O)N2CCC[C@H]2C[C@@]2(C)NC(=O)[N-]C2=O)c(C)o1 ZINC000597650656 492056329 /nfs/dbraw/zinc/05/63/29/492056329.db2.gz ZGDJSUWHHZCQQN-DYZYQPBXSA-N -1 3 363.370 0.967 10 0 FCAEHM C[C@@H]1CCN(C(=O)CC[C@H]2NC(=O)[N-]C2=O)C[C@@H]1C(=O)OC(C)(C)C ZINC000597802194 492067590 /nfs/dbraw/zinc/06/75/90/492067590.db2.gz FWPRNUNGXIAJPD-GRYCIOLGSA-N -1 3 353.419 0.801 10 0 FCAEHM COC(=O)[C@@H]1OCC[C@@H]1NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000598010821 492078749 /nfs/dbraw/zinc/07/87/49/492078749.db2.gz OGEJYLBQQNNHDM-CMPLNLGQSA-N -1 3 360.363 0.258 10 0 FCAEHM CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000615275081 492083965 /nfs/dbraw/zinc/08/39/65/492083965.db2.gz LFSYEOKREYVICA-CABCVRRESA-N -1 3 358.398 0.965 10 0 FCAEHM COC(=O)c1ccc2c(c1)[C@H](CNC(=O)CN1CC(=O)[N-]C1=O)CCC2 ZINC000598117809 492084180 /nfs/dbraw/zinc/08/41/80/492084180.db2.gz YPGFIQVUCBCOJX-ZDUSSCGKSA-N -1 3 359.382 0.561 10 0 FCAEHM COC(=O)[C@@](C)(CCF)NC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000598279286 492092721 /nfs/dbraw/zinc/09/27/21/492092721.db2.gz IDCNJCTZGMQCDZ-CYBMUJFWSA-N -1 3 366.436 0.824 10 0 FCAEHM COC(=O)[C@](C)(CCF)NC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000598279289 492092754 /nfs/dbraw/zinc/09/27/54/492092754.db2.gz IDCNJCTZGMQCDZ-ZDUSSCGKSA-N -1 3 366.436 0.824 10 0 FCAEHM CC1(C)C(=O)NC(=O)N1CC(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000605402211 492093806 /nfs/dbraw/zinc/09/38/06/492093806.db2.gz QNLUDNGSAULBPO-KRWDZBQOSA-N -1 3 373.369 0.010 10 0 FCAEHM CC1(C)C(=O)NC(=O)N1CC(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000605402218 492094025 /nfs/dbraw/zinc/09/40/25/492094025.db2.gz QNLUDNGSAULBPO-QGZVFWFLSA-N -1 3 373.369 0.010 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1cccc(C(=O)Nc2ccncc2)c1 ZINC000605509097 492096513 /nfs/dbraw/zinc/09/65/13/492096513.db2.gz LWGULEOLAACPTF-UHFFFAOYSA-N -1 3 353.338 0.246 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CSC[C@H]1C(=O)Nc1ccc(F)cc1 ZINC000605509887 492096710 /nfs/dbraw/zinc/09/67/10/492096710.db2.gz FHFBLAWNYLMKOI-NSHDSACASA-N -1 3 366.374 0.218 10 0 FCAEHM CC(C)(C)OC(=O)[C@](C)(NC(=O)CN1CC(=O)[N-]C1=O)c1ccccc1 ZINC000598506044 492102217 /nfs/dbraw/zinc/10/22/17/492102217.db2.gz DYJFEKGWHGQVNB-GOSISDBHSA-N -1 3 361.398 0.912 10 0 FCAEHM O=C(NC[C@@H](O)C1CCOCC1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000605889576 492105146 /nfs/dbraw/zinc/10/51/46/492105146.db2.gz QCMMFZUGBQTFHA-DOTOQJQBSA-N -1 3 362.426 0.901 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)c2ccc(N3CCOCC3)cc2)[n-]1 ZINC000615916950 492106857 /nfs/dbraw/zinc/10/68/57/492106857.db2.gz ICGWDBCRVRMMOB-UHFFFAOYSA-N -1 3 359.386 0.748 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)CN2C(=O)COc3ccccc32)[n-]1 ZINC000615919096 492106959 /nfs/dbraw/zinc/10/69/59/492106959.db2.gz YDXLOGZFLWEKBW-UHFFFAOYSA-N -1 3 359.342 0.023 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)CCCNC(=O)c2ccccc2)[n-]1 ZINC000615917420 492107280 /nfs/dbraw/zinc/10/72/80/492107280.db2.gz MPNLBGAIFJXOSQ-UHFFFAOYSA-N -1 3 359.386 0.808 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)CCn2c3ccccc3n(C)c2=O)[n-]1 ZINC000615919109 492107404 /nfs/dbraw/zinc/10/74/04/492107404.db2.gz ZVOPPYRLVWBHPG-UHFFFAOYSA-N -1 3 372.385 0.341 10 0 FCAEHM COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)c1ccc(C)cc1[O-] ZINC000598903564 492121726 /nfs/dbraw/zinc/12/17/26/492121726.db2.gz DUWZTHPFJVBZQV-JQWIXIFHSA-N -1 3 361.354 0.009 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H]2CCN(C(C)C)C2=O)on1 ZINC000599239641 492147446 /nfs/dbraw/zinc/14/74/46/492147446.db2.gz ZSZOSNQIZLKKGG-LLVKDONJSA-N -1 3 359.404 0.280 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)on1 ZINC000599254489 492149318 /nfs/dbraw/zinc/14/93/18/492149318.db2.gz SPXHPBSFJDBAKC-CWSCBRNRSA-N -1 3 371.415 0.280 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@H]2CCN(C(=O)CC)C2)on1 ZINC000599258854 492150478 /nfs/dbraw/zinc/15/04/78/492150478.db2.gz PEFBCTBOACHCKI-JTQLQIEISA-N -1 3 359.404 0.282 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]CC2([S@](C)=O)CC2)on1 ZINC000599299474 492156735 /nfs/dbraw/zinc/15/67/35/492156735.db2.gz KEFJTJOMYJTGDY-NRFANRHFSA-N -1 3 350.418 0.182 10 0 FCAEHM COC(=O)c1cnc(CN2CCN(C(=O)c3ccccc3[O-])CC2)cn1 ZINC000599329518 492160743 /nfs/dbraw/zinc/16/07/43/492160743.db2.gz MUIHFMMHWDMOGN-UHFFFAOYSA-N -1 3 356.382 0.927 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H]2CCN(C(C)(C)C)C2=O)on1 ZINC000599335535 492162071 /nfs/dbraw/zinc/16/20/71/492162071.db2.gz VYBBDHDHDZYKLL-LLVKDONJSA-N -1 3 373.431 0.670 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CC[C@H](Cn2ccnn2)C1 ZINC000617267239 492162465 /nfs/dbraw/zinc/16/24/65/492162465.db2.gz JTKWYRAGFRPCHY-LBPRGKRZSA-N -1 3 369.472 0.557 10 0 FCAEHM COC(=O)[C@](C)(CCF)[N-]S(=O)(=O)c1cnnn1-c1ccccc1 ZINC000599347483 492162881 /nfs/dbraw/zinc/16/28/81/492162881.db2.gz SCGDPHZWCLMFFS-AWEZNQCLSA-N -1 3 356.379 0.837 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]CCO[C@@H]2CC2(F)F)on1 ZINC000599351474 492163633 /nfs/dbraw/zinc/16/36/33/492163633.db2.gz FUTLVQOPSNKQDO-SNVBAGLBSA-N -1 3 354.331 0.695 10 0 FCAEHM COc1cc(C(=O)N[C@H]2CCCN(C)C2)cc([N-]S(C)(=O)=O)c1OC ZINC000608126917 492166125 /nfs/dbraw/zinc/16/61/25/492166125.db2.gz GAKWCTJBXYITKZ-LBPRGKRZSA-N -1 3 371.459 0.899 10 0 FCAEHM C[C@@]1(C2CC2)CN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)CCO1 ZINC000617404635 492166217 /nfs/dbraw/zinc/16/62/17/492166217.db2.gz UBNOOEASRAKXML-AWEZNQCLSA-N -1 3 372.219 0.739 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@@H](CCSC)C(N)=O ZINC000599405452 492169104 /nfs/dbraw/zinc/16/91/04/492169104.db2.gz UOEITCQYZUMFOC-VIFPVBQESA-N -1 3 364.445 0.568 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CO)[C@@H]2CCC[C@H](OC)C2)c(C)o1 ZINC000617532240 492174485 /nfs/dbraw/zinc/17/44/85/492174485.db2.gz HFZLDLIZGQEXEF-MBNYWOFBSA-N -1 3 374.459 0.792 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](CO)[C@H]2CCC[C@H](OC)C2)cn1 ZINC000617536696 492175128 /nfs/dbraw/zinc/17/51/28/492175128.db2.gz HCHKXSBJAWUEGS-FPMFFAJLSA-N -1 3 371.459 0.286 10 0 FCAEHM CCOC[C@H](C)CS(=O)(=O)[N-][C@H](C[C@@H]1CCCOC1)C(=O)OC ZINC000599456562 492175413 /nfs/dbraw/zinc/17/54/13/492175413.db2.gz NGUCNUZOHCMEJC-MELADBBJSA-N -1 3 351.465 0.937 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)Nc1cc2oc(=O)[nH]c2cc1F ZINC000617593117 492176731 /nfs/dbraw/zinc/17/67/31/492176731.db2.gz XEOJFHQQDWMRRD-UHFFFAOYSA-N -1 3 361.351 0.567 10 0 FCAEHM CCOC(=O)CC1(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2c2nc(C)no2)CC1 ZINC000599515923 492182858 /nfs/dbraw/zinc/18/28/58/492182858.db2.gz YURAFMFYWSIGLI-PWSUYJOCSA-N -1 3 359.404 0.613 10 0 FCAEHM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-]C[C@H]2C[C@@H](OC)C2)c1 ZINC000599518301 492183194 /nfs/dbraw/zinc/18/31/94/492183194.db2.gz PHHBHOVCMQWGON-KLPPZKSPSA-N -1 3 371.411 0.963 10 0 FCAEHM CO[C@]1(CO)CCCN(C(=O)CC[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000617792461 492191629 /nfs/dbraw/zinc/19/16/29/492191629.db2.gz RXCMJTLIWVPMHG-MRXNPFEDSA-N -1 3 374.434 0.494 10 0 FCAEHM CO[C@@]1(CO)CCCN(C(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000617795038 492192171 /nfs/dbraw/zinc/19/21/71/492192171.db2.gz QYRAJFQOLPUZJW-IBGZPJMESA-N -1 3 373.409 0.258 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N(CC(N)=O)C1CCCC1 ZINC000618100609 492211156 /nfs/dbraw/zinc/21/11/56/492211156.db2.gz ZHLFLWJALRKBFE-NSHDSACASA-N -1 3 371.434 0.749 10 0 FCAEHM COC(=O)c1oc(C(=O)N2CCC[C@H]2C[C@]2(C)NC(=O)[N-]C2=O)cc1C ZINC000599933682 492218614 /nfs/dbraw/zinc/21/86/14/492218614.db2.gz IFLDBRWIIINMCO-BTDLBPIBSA-N -1 3 363.370 0.967 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)NCC[C@@]2(C)CC2(F)F)cn1C ZINC000618627462 492232526 /nfs/dbraw/zinc/23/25/26/492232526.db2.gz IAAYMXLBEQYVHH-ZDUSSCGKSA-N -1 3 364.418 0.949 10 0 FCAEHM CCOC(=O)c1[n-]c(C)nc1NC(=O)CN1C(=O)NC(CC)(CC)C1=O ZINC000610232027 492237249 /nfs/dbraw/zinc/23/72/49/492237249.db2.gz CGMKBFWZFRMQHU-UHFFFAOYSA-N -1 3 365.390 0.944 10 0 FCAEHM CCOC(=O)c1nc(C)[n-]c1NC(=O)CN1C(=O)NC(CC)(CC)C1=O ZINC000610232027 492237250 /nfs/dbraw/zinc/23/72/50/492237250.db2.gz CGMKBFWZFRMQHU-UHFFFAOYSA-N -1 3 365.390 0.944 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)N[C@@H]1C[C@H](O)C12CCC2 ZINC000619092803 492250097 /nfs/dbraw/zinc/25/00/97/492250097.db2.gz FISYMFTUBHVPDC-KGLIPLIRSA-N -1 3 356.419 0.914 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@H]1C[C@@H](O)C12CCC2 ZINC000619092305 492250165 /nfs/dbraw/zinc/25/01/65/492250165.db2.gz XMTLYYXTLBCDDJ-DTWKUNHWSA-N -1 3 358.192 0.131 10 0 FCAEHM CCn1c(=O)[n-]c(=O)c2c(C(=O)NC[C@@H]3CCC(=O)N3)cc(C3CC3)nc21 ZINC000619143224 492251103 /nfs/dbraw/zinc/25/11/03/492251103.db2.gz MPZYVCYIYZDRQK-JTQLQIEISA-N -1 3 371.397 0.403 10 0 FCAEHM COC(=O)[C@@H](C)Oc1ccc(NC(=O)CC[C@@H]2NC(=O)[N-]C2=O)cc1F ZINC000600344960 492263280 /nfs/dbraw/zinc/26/32/80/492263280.db2.gz PSCBFULWROIERX-KCJUWKMLSA-N -1 3 367.333 0.693 10 0 FCAEHM CCOC(=O)C1(COC)CCN(Cc2nc3c(cnn3C)c(=O)[n-]2)CC1 ZINC000619516549 492268127 /nfs/dbraw/zinc/26/81/27/492268127.db2.gz SZQBZLBNMCKYJJ-UHFFFAOYSA-N -1 3 363.418 0.861 10 0 FCAEHM COCCCS(=O)(=O)[N-]CC(=O)N1CCCc2ccc(OC)cc21 ZINC000619937881 492283107 /nfs/dbraw/zinc/28/31/07/492283107.db2.gz WHYWVCBYJXIXAI-UHFFFAOYSA-N -1 3 356.444 0.930 10 0 FCAEHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000611511299 492289269 /nfs/dbraw/zinc/28/92/69/492289269.db2.gz SEEDEECYBDTHES-HBNTYKKESA-N -1 3 370.427 0.916 10 0 FCAEHM C[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccco2)C[C@H]1C(=O)[O-] ZINC000647504239 492299146 /nfs/dbraw/zinc/29/91/46/492299146.db2.gz LSMGZQVRZDCSOV-UKRRQHHQSA-N -1 3 365.430 0.739 10 0 FCAEHM C[C@]1(c2ccc(C(=O)N3CCc4nccnc4C3)cc2)NC(=O)[N-]C1=O ZINC000620421490 492308928 /nfs/dbraw/zinc/30/89/28/492308928.db2.gz OCVKLOMNUBXHSM-GOSISDBHSA-N -1 3 351.366 0.730 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1C[C@H](C)[C@@](C)(CO)C1 ZINC000620442730 492309669 /nfs/dbraw/zinc/30/96/69/492309669.db2.gz NGMKHDFYXZVNNQ-MQIPJXDCSA-N -1 3 358.435 0.969 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CCOCC(F)(F)F ZINC000641914078 492322282 /nfs/dbraw/zinc/32/22/82/492322282.db2.gz CYWIHMARKNGJTO-UHFFFAOYSA-N -1 3 361.363 0.947 10 0 FCAEHM C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647581978 492323867 /nfs/dbraw/zinc/32/38/67/492323867.db2.gz WLFUTDKRVZMGBG-AIEDFZFUSA-N -1 3 353.463 0.839 10 0 FCAEHM C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C1 ZINC000647581835 492323924 /nfs/dbraw/zinc/32/39/24/492323924.db2.gz PVXGZZSZBZAKPJ-HZSPNIEDSA-N -1 3 353.463 0.983 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](CC(F)(F)F)C2)cn1 ZINC000620787249 492335791 /nfs/dbraw/zinc/33/57/91/492335791.db2.gz WDHROYVLWKADTN-JTQLQIEISA-N -1 3 367.349 0.783 10 0 FCAEHM CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1c[n-]n2c1nccc2=O ZINC000620912621 492344855 /nfs/dbraw/zinc/34/48/55/492344855.db2.gz PVBHQLXAYPLSAM-CYBMUJFWSA-N -1 3 359.430 0.738 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)N2CCC(c3nc(N)n[nH]3)CC2)c([O-])c1 ZINC000647733827 492352510 /nfs/dbraw/zinc/35/25/10/492352510.db2.gz AZJWHCAVGWYDBV-UHFFFAOYSA-N -1 3 372.429 0.927 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1nn2cnnc2s1 ZINC000621035464 492353233 /nfs/dbraw/zinc/35/32/33/492353233.db2.gz WEXOSLFUBLUEMG-ZETCQYMHSA-N -1 3 370.391 0.630 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)O[C@](C)(C(F)F)C2)cn1 ZINC000621122879 492357373 /nfs/dbraw/zinc/35/73/73/492357373.db2.gz GPOYMFSSQAXVGV-OTYXRUKQSA-N -1 3 363.386 0.874 10 0 FCAEHM C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-][C@H]1CS(=O)(=O)Cc2ccccc21 ZINC000621305596 492372498 /nfs/dbraw/zinc/37/24/98/492372498.db2.gz CBSCOSIQLXTLBN-GWCFXTLKSA-N -1 3 360.457 0.052 10 0 FCAEHM CCN1OC[C@@H](N2CCC([N-]S(=O)(=O)c3cccs3)CC2)C1=O ZINC000647956353 492386990 /nfs/dbraw/zinc/38/69/90/492386990.db2.gz LFTCWHWRTDHSNR-GFCCVEGCSA-N -1 3 359.473 0.653 10 0 FCAEHM O=C(NCCN1CCS(=O)(=O)CC1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621577285 492394154 /nfs/dbraw/zinc/39/41/54/492394154.db2.gz ZLOBNZCRLZXJNM-UHFFFAOYSA-N -1 3 366.361 0.871 10 0 FCAEHM CCn1nnc(C)c1CNC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000627876421 492410318 /nfs/dbraw/zinc/41/03/18/492410318.db2.gz SUUQFBSBIIFXOD-UHFFFAOYSA-N -1 3 357.461 0.653 10 0 FCAEHM C/C=C/CNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000627932839 492422933 /nfs/dbraw/zinc/42/29/33/492422933.db2.gz FSUKGWKTGVIJSZ-NSCUHMNNSA-N -1 3 355.391 0.897 10 0 FCAEHM C[C@@]1(c2cccc(C(=O)NC3CC(N4CCOCC4)C3)c2)NC(=O)[N-]C1=O ZINC000627935970 492424015 /nfs/dbraw/zinc/42/40/15/492424015.db2.gz HRDSPCGTKPMZFD-ZOJXTTQQSA-N -1 3 372.425 0.334 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N1CCN(CCCF)CC1 ZINC000627954726 492426280 /nfs/dbraw/zinc/42/62/80/492426280.db2.gz DNPLWLINOBNLGP-UHFFFAOYSA-N -1 3 362.405 0.996 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000655313404 492433882 /nfs/dbraw/zinc/43/38/82/492433882.db2.gz BVKUPAASVWWMCT-UHFFFAOYSA-N -1 3 357.345 0.990 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCN(C(=O)C2CC2)C1 ZINC000643363070 492439634 /nfs/dbraw/zinc/43/96/34/492439634.db2.gz HYLDURHCMQFTHT-NSHDSACASA-N -1 3 369.418 0.531 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c(C)o1 ZINC000622080184 492451276 /nfs/dbraw/zinc/45/12/76/492451276.db2.gz HDNXSOQEUBUNHH-YRGRVCCFSA-N -1 3 372.443 0.498 10 0 FCAEHM CO[C@@H]1CCC[C@@H]([C@@H](CO)NC(=O)CNC(=O)c2ccc([O-])cc2)C1 ZINC000622138309 492458233 /nfs/dbraw/zinc/45/82/33/492458233.db2.gz OKCRCXMMFMBTRY-FVQBIDKESA-N -1 3 350.415 0.804 10 0 FCAEHM Cc1nc(C)c(CCC(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)c(=O)[n-]1 ZINC000622172148 492464057 /nfs/dbraw/zinc/46/40/57/492464057.db2.gz BXXGUUCIHAZDGJ-SNVBAGLBSA-N -1 3 356.448 0.224 10 0 FCAEHM C[C@H]1CCCc2nc(S(=O)(=O)[N-][C@H]3CCc4c(nnn4C)C3)cn21 ZINC000655649033 492471746 /nfs/dbraw/zinc/47/17/46/492471746.db2.gz VPHMOCGMVCYCKE-QWRGUYRKSA-N -1 3 350.448 0.745 10 0 FCAEHM Cn1cnc(CCCNC(=O)CC[N-]S(=O)(=O)c2ccccc2F)n1 ZINC000648987120 492481767 /nfs/dbraw/zinc/48/17/67/492481767.db2.gz JRYSWIGHDJTQMV-UHFFFAOYSA-N -1 3 369.422 0.372 10 0 FCAEHM CC(=O)NC1CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)CC1 ZINC000622776681 492487865 /nfs/dbraw/zinc/48/78/65/492487865.db2.gz QBKNDUWVQJEJKC-NSHDSACASA-N -1 3 371.434 0.620 10 0 FCAEHM C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000649080102 492495015 /nfs/dbraw/zinc/49/50/15/492495015.db2.gz QLEWVAHFGHEPFH-LBPRGKRZSA-N -1 3 368.459 0.250 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N[C@@]23C[C@@H]2COC3(C)C)cn1C ZINC000628603577 492530098 /nfs/dbraw/zinc/53/00/98/492530098.db2.gz MGHNFKODVHMZRF-ABAIWWIYSA-N -1 3 356.448 0.081 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N[C@H](c2ccccn2)C2CCC2)c1 ZINC000628664229 492533444 /nfs/dbraw/zinc/53/34/44/492533444.db2.gz RCBSGBBRVIJSCA-INIZCTEOSA-N -1 3 363.443 0.751 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N[C@H]1Cc2cncn2C1 ZINC000623269970 492536218 /nfs/dbraw/zinc/53/62/18/492536218.db2.gz XFDXMOBMLBFXEL-QMMMGPOBSA-N -1 3 360.848 0.617 10 0 FCAEHM CC(C)Nc1nc(NCCO)nc(N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)n1 ZINC000649404001 492550939 /nfs/dbraw/zinc/55/09/39/492550939.db2.gz YIGJBABWGNUEEX-KBPBESRZSA-N -1 3 372.429 0.087 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000629139553 492579839 /nfs/dbraw/zinc/57/98/39/492579839.db2.gz NOWPGCSKZUZVNR-PSASIEDQSA-N -1 3 358.192 0.395 10 0 FCAEHM O=C(NCC[C@@]1(O)CCOC1)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000650109127 492614694 /nfs/dbraw/zinc/61/46/94/492614694.db2.gz LZPKIXCNJXUKJM-SUMWQHHRSA-N -1 3 362.386 0.100 10 0 FCAEHM C[C@H](O)CN(C)S(=O)(=O)c1cccc(S(=O)(=O)[N-]CC(F)F)c1 ZINC000656370521 492615657 /nfs/dbraw/zinc/61/56/57/492615657.db2.gz NGOHWIBGAFANRY-VIFPVBQESA-N -1 3 372.415 0.231 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]c1cccnc1N1CCOCC1)[C@@H]1CCOC1 ZINC000656728749 492646644 /nfs/dbraw/zinc/64/66/44/492646644.db2.gz XCOHXMPYTSXRHA-HIFRSBDPSA-N -1 3 371.459 0.711 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]c1cc(-n2cnnn2)ccc1C)[C@@H]1CCOC1 ZINC000656732892 492647479 /nfs/dbraw/zinc/64/74/79/492647479.db2.gz YHHVJSIXQWMJMA-IUODEOHRSA-N -1 3 367.431 0.764 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]c1ccnn1-c1ccc(C)nn1)[C@@H]1CCOC1 ZINC000656730648 492647536 /nfs/dbraw/zinc/64/75/36/492647536.db2.gz ITGVWYPNKRZJLR-OLZOCXBDSA-N -1 3 367.431 0.764 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(-n2cnnn2)c1)[C@@H]1CCOC1 ZINC000656731404 492647642 /nfs/dbraw/zinc/64/76/42/492647642.db2.gz OJDQVFMAADMVRS-RISCZKNCSA-N -1 3 353.404 0.456 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]c1ccnn1-c1ccc(C)nn1)[C@H]1CCOC1 ZINC000656730654 492647670 /nfs/dbraw/zinc/64/76/70/492647670.db2.gz ITGVWYPNKRZJLR-STQMWFEESA-N -1 3 367.431 0.764 10 0 FCAEHM CO[C@H](CS(=O)(=O)N=c1nc(-c2cccs2)[n-]n1C)[C@H]1CCOC1 ZINC000656734947 492648485 /nfs/dbraw/zinc/64/84/85/492648485.db2.gz YMUOQSXLNUMYKA-WDEREUQCSA-N -1 3 372.472 0.759 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]CC(=O)NCCc1ccccc1)[C@H]1CCOC1 ZINC000656887192 492659954 /nfs/dbraw/zinc/65/99/54/492659954.db2.gz FCQBBPQYVQERIJ-JKSUJKDBSA-N -1 3 370.471 0.316 10 0 FCAEHM C[C@@H]1C[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1cncc(F)c1 ZINC000629628530 492661071 /nfs/dbraw/zinc/66/10/71/492661071.db2.gz JMMZDOAGIBTGRS-BXKDBHETSA-N -1 3 351.425 0.680 10 0 FCAEHM Cc1n[nH]c(C)c1[N-]S(=O)(=O)CCCCS(=O)(=O)N[C@@H]1C[C@H]1C ZINC000629643933 492661827 /nfs/dbraw/zinc/66/18/27/492661827.db2.gz POGQVTTZKINOPC-BXKDBHETSA-N -1 3 364.493 0.876 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@H](C)C(=O)Nc1ccccc1)[C@@H]1CCOC1 ZINC000656900699 492662934 /nfs/dbraw/zinc/66/29/34/492662934.db2.gz IQNVZDSOSDRTNM-UMVBOHGHSA-N -1 3 356.444 0.985 10 0 FCAEHM CS(=O)(=O)c1nc2cc(-c3cnc(N4CCC[C@H](O)C4)nc3)cnc2[n-]1 ZINC000629758470 492664865 /nfs/dbraw/zinc/66/48/65/492664865.db2.gz AAUIOUUGKWIWKY-LBPRGKRZSA-N -1 3 374.426 0.780 10 0 FCAEHM CS(=O)(=O)c1nc2ncc(-c3cnc(N4CCC[C@H](O)C4)nc3)cc2[n-]1 ZINC000629758470 492664868 /nfs/dbraw/zinc/66/48/68/492664868.db2.gz AAUIOUUGKWIWKY-LBPRGKRZSA-N -1 3 374.426 0.780 10 0 FCAEHM NC(C(=O)N[C@@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O)C(F)(F)F ZINC000650784606 492667987 /nfs/dbraw/zinc/66/79/87/492667987.db2.gz NVXFEEOTPISNKQ-OUAUKWLOSA-N -1 3 359.304 0.419 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCN1CCO[C@@H](C)C1 ZINC000624654833 492669979 /nfs/dbraw/zinc/66/99/79/492669979.db2.gz TVWAZMORFMMJON-STQMWFEESA-N -1 3 373.450 0.329 10 0 FCAEHM CCO[C@@H](CS(=O)(=O)[N-]Cc1ccc(S(N)(=O)=O)s1)C1CC1 ZINC000624798905 492685961 /nfs/dbraw/zinc/68/59/61/492685961.db2.gz QIQCZPOXXLFQOE-NSHDSACASA-N -1 3 368.502 0.630 10 0 FCAEHM CC(=O)N1CCc2sc(S(=O)(=O)[N-]C3COCCOC3)cc2C1 ZINC000656994756 492689871 /nfs/dbraw/zinc/68/98/71/492689871.db2.gz PFNHJTJKNCJMKX-UHFFFAOYSA-N -1 3 360.457 0.346 10 0 FCAEHM O=C(C1CCCC1)N1CCC[C@H](S(=O)(=O)[N-]C2COCCOC2)C1 ZINC000644288206 492692049 /nfs/dbraw/zinc/69/20/49/492692049.db2.gz RYDAUBHVBPVTJZ-HNNXBMFYSA-N -1 3 360.476 0.502 10 0 FCAEHM O=C(C1CCCC1)N1CCC[C@@H](S(=O)(=O)[N-]C2COCCOC2)C1 ZINC000644288211 492692113 /nfs/dbraw/zinc/69/21/13/492692113.db2.gz RYDAUBHVBPVTJZ-OAHLLOKOSA-N -1 3 360.476 0.502 10 0 FCAEHM CC(=O)N1CCc2sc(S(=O)(=O)[N-][C@H]3C[C@@H](C(N)=O)C3)cc2C1 ZINC000657022145 492696822 /nfs/dbraw/zinc/69/68/22/492696822.db2.gz DNGAOBAWRHNEOE-JGZJWPJOSA-N -1 3 357.457 0.195 10 0 FCAEHM COC[C@@]1(C)CN(C(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)CCO1 ZINC000629901716 492698795 /nfs/dbraw/zinc/69/87/95/492698795.db2.gz SNMOQODNLKZHOM-QZTJIDSGSA-N -1 3 361.398 0.619 10 0 FCAEHM CO[C@@H](C[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C)[C@@H]1CCOC1 ZINC000657045718 492703432 /nfs/dbraw/zinc/70/34/32/492703432.db2.gz VVNFLJNXIBWMEG-NEPJUHHUSA-N -1 3 360.432 0.620 10 0 FCAEHM CO[C@H](C[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)[C@@H]1CCOC1 ZINC000657048151 492703978 /nfs/dbraw/zinc/70/39/78/492703978.db2.gz ZMKMZSSLMBOONG-VXGBXAGGSA-N -1 3 363.457 0.420 10 0 FCAEHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c2ncnn21 ZINC000657066190 492708119 /nfs/dbraw/zinc/70/81/19/492708119.db2.gz JWKSIGIRHNBWAF-PELKAZGASA-N -1 3 361.383 0.488 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@@H]2C[C@@H](C)n3ncnc32)coc1C(=O)N(C)C ZINC000657067250 492708173 /nfs/dbraw/zinc/70/81/73/492708173.db2.gz RTXGVPIZLRIFLB-PSASIEDQSA-N -1 3 353.404 0.866 10 0 FCAEHM COCCCS(=O)(=O)[N-]CC(=O)Nc1nc(-c2ccccc2)no1 ZINC000629956631 492708284 /nfs/dbraw/zinc/70/82/84/492708284.db2.gz IWLJRAVDQZNHLA-UHFFFAOYSA-N -1 3 354.388 0.053 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-][C@H]2Cc3ccccc3N(C)C2=O)C[C@@H](C)O1 ZINC000657071911 492709285 /nfs/dbraw/zinc/70/92/85/492709285.db2.gz WKEXIJGKDVGYKL-BZPMIXESSA-N -1 3 353.444 0.518 10 0 FCAEHM CN1c2ccccc2C[C@H]([N-]S(=O)(=O)N2CCOC(C)(C)C2)C1=O ZINC000657071487 492709326 /nfs/dbraw/zinc/70/93/26/492709326.db2.gz SOIUIGATMGPJPS-ZDUSSCGKSA-N -1 3 353.444 0.519 10 0 FCAEHM O=S(=O)([N-]C[C@]1(OCCO)CCOC1)c1cc(F)cc(Cl)c1 ZINC000657085776 492712291 /nfs/dbraw/zinc/71/22/91/492712291.db2.gz ICCDTIYUOCYPSP-CYBMUJFWSA-N -1 3 353.799 0.925 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-][C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)c1 ZINC000657097587 492717020 /nfs/dbraw/zinc/71/70/20/492717020.db2.gz HXZUXEIUXYQLJS-GFCCVEGCSA-N -1 3 364.427 0.995 10 0 FCAEHM CCCCN(CCCC)S(=O)(=O)[N-][C@H]1CS(=O)(=O)C[C@H]1OC ZINC000657098863 492717903 /nfs/dbraw/zinc/71/79/03/492717903.db2.gz DLHRJGBEOWVLQU-QWHCGFSZSA-N -1 3 356.510 0.535 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]CCNS(=O)(=O)NC(C)C)c(F)c1F ZINC000625155937 492731826 /nfs/dbraw/zinc/73/18/26/492731826.db2.gz SPKUBIKQALNUKT-UHFFFAOYSA-N -1 3 371.431 0.384 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cnnn1-c1ccccc1)C1(S(C)(=O)=O)CC1 ZINC000625212357 492739999 /nfs/dbraw/zinc/73/99/99/492739999.db2.gz HKJPCGROKBKBPB-NSHDSACASA-N -1 3 370.456 0.511 10 0 FCAEHM CC1(C)C[C@@H](S(=O)(=O)[N-]C[C@@H](N2CCOCC2)C(F)(F)F)CO1 ZINC000625215561 492740202 /nfs/dbraw/zinc/74/02/02/492740202.db2.gz XYAYOTSATISQJR-GHMZBOCLSA-N -1 3 360.398 0.736 10 0 FCAEHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](O)C23CCC3)cc1F ZINC000657191173 492740593 /nfs/dbraw/zinc/74/05/93/492740593.db2.gz ZLVOOQZSONGFDS-STQMWFEESA-N -1 3 363.432 0.811 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CCc2cncc(C)n2)coc1C(=O)N(C)C ZINC000657193829 492740612 /nfs/dbraw/zinc/74/06/12/492740612.db2.gz HZRKLLDWCYFEPY-UHFFFAOYSA-N -1 3 352.416 0.909 10 0 FCAEHM CC[C@@H](CNS(C)(=O)=O)[N-]S(=O)(=O)c1ccc(C)c(F)c1F ZINC000625234506 492742165 /nfs/dbraw/zinc/74/21/65/492742165.db2.gz SMOVLDLQZIHJJG-VIFPVBQESA-N -1 3 356.416 0.879 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@H](CO)c1ccnn1C)c1ccc(F)cc1 ZINC000625241869 492743914 /nfs/dbraw/zinc/74/39/14/492743914.db2.gz BDDNFYSSTIXHBK-UKRRQHHQSA-N -1 3 357.407 0.900 10 0 FCAEHM C[C@@H](NC(=O)CCc1nnn[n-]1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000630874085 492781016 /nfs/dbraw/zinc/78/10/16/492781016.db2.gz APNRDASTXUZSDB-GFCCVEGCSA-N -1 3 361.425 0.901 10 0 FCAEHM C[C@@H](NC(=O)CCc1nn[n-]n1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000630874085 492781019 /nfs/dbraw/zinc/78/10/19/492781019.db2.gz APNRDASTXUZSDB-GFCCVEGCSA-N -1 3 361.425 0.901 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NCc2cn(C[C@H]3CCOC3)nn2)ccc1F ZINC000631155598 492800452 /nfs/dbraw/zinc/80/04/52/492800452.db2.gz GPMOFRZQZMQPDX-LLVKDONJSA-N -1 3 369.422 0.974 10 0 FCAEHM COc1ccc(Cn2[n-]nnc2=NC2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000631172013 492802197 /nfs/dbraw/zinc/80/21/97/492802197.db2.gz NIPKEECETSPWJT-MRXNPFEDSA-N -1 3 358.446 0.817 10 0 FCAEHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]C[C@H]2COCCN2C)s1 ZINC000625518154 492807874 /nfs/dbraw/zinc/80/78/74/492807874.db2.gz SYWAVSPXRPVPNZ-PWSUYJOCSA-N -1 3 361.489 0.554 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000625571625 492824328 /nfs/dbraw/zinc/82/43/28/492824328.db2.gz PLFFKSMEKLMOAS-SWLSCSKDSA-N -1 3 374.484 0.378 10 0 FCAEHM CCC(=O)N1CCN(C(=O)Nc2ccc(C[C@H]3NC(=O)[N-]C3=O)cc2)C1 ZINC000645003017 492837347 /nfs/dbraw/zinc/83/73/47/492837347.db2.gz NWQGUVADRWXLEJ-CYBMUJFWSA-N -1 3 359.386 0.481 10 0 FCAEHM C[C@H]1C[C@@H](S(=O)(=O)[N-]CC(=O)Nc2ccc3c(c2)OCCO3)CCO1 ZINC000625617874 492840171 /nfs/dbraw/zinc/84/01/71/492840171.db2.gz PTUBUSMYDBAWKH-AAEUAGOBSA-N -1 3 370.427 0.883 10 0 FCAEHM CN(C)S(=O)(=O)N1CC([N-]S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000625624108 492845631 /nfs/dbraw/zinc/84/56/31/492845631.db2.gz IZTBCFHFJGHSAD-UHFFFAOYSA-N -1 3 371.843 0.248 10 0 FCAEHM CN1CCO[C@@H](CS(=O)(=O)[N-]CC(=O)N2CCCc3ccccc32)C1 ZINC000631793942 492854463 /nfs/dbraw/zinc/85/44/63/492854463.db2.gz HDFDDMDLOOKSKK-OAHLLOKOSA-N -1 3 367.471 0.216 10 0 FCAEHM CN1CCO[C@@H](CS(=O)(=O)[N-]Cc2noc(-c3ccccc3)n2)C1 ZINC000631812422 492856301 /nfs/dbraw/zinc/85/63/01/492856301.db2.gz IYOHPTRMVGJPNS-CYBMUJFWSA-N -1 3 352.416 0.487 10 0 FCAEHM CCN1C[C@@H](S(=O)(=O)[N-][C@@H]2CCN(Cc3ccccc3)C2=O)CC1=O ZINC000631814004 492857832 /nfs/dbraw/zinc/85/78/32/492857832.db2.gz ZBZZTPJYFZZOAU-LSDHHAIUSA-N -1 3 365.455 0.328 10 0 FCAEHM O=c1[nH]c2cc(F)c(S(=O)(=O)[N-][C@@H]3CCN(C4CCC4)C3=O)cc2o1 ZINC000625693924 492863143 /nfs/dbraw/zinc/86/31/43/492863143.db2.gz ZRXSIDANZQYQBO-SNVBAGLBSA-N -1 3 369.374 0.692 10 0 FCAEHM COCCN1CCC[C@@H]1C[N-]S(=O)(=O)c1c[nH]nc1C(F)(F)F ZINC000631895388 492871883 /nfs/dbraw/zinc/87/18/83/492871883.db2.gz QVUHXFLHXNCYKN-SECBINFHSA-N -1 3 356.370 0.818 10 0 FCAEHM C[C@]1(c2ccc(CNc3nc(N)nc4c3CCCC4)cc2)NC(=O)[N-]C1=O ZINC000645152199 492873396 /nfs/dbraw/zinc/87/33/96/492873396.db2.gz CHEUTOULEJGZIK-LJQANCHMSA-N -1 3 366.425 1.026 10 0 FCAEHM O=C([C@@H]1CCCN(S(=O)(=O)c2cc([O-])cc(F)c2)C1)N1CCNCC1 ZINC000631901849 492873911 /nfs/dbraw/zinc/87/39/11/492873911.db2.gz PUSMGGILMXTPJR-GFCCVEGCSA-N -1 3 371.434 0.364 10 0 FCAEHM O=C(c1ccc([O-])cc1)C1CCN(S(=O)(=O)C[C@@H]2CNCCO2)CC1 ZINC000631921829 492886130 /nfs/dbraw/zinc/88/61/30/492886130.db2.gz KQHXIWQBJWDANX-INIZCTEOSA-N -1 3 368.455 0.605 10 0 FCAEHM Cn1[n-]c(CN[C@@]2(CO)CCc3cc(Br)ccc3C2)nc1=O ZINC000625796913 492888883 /nfs/dbraw/zinc/88/88/83/492888883.db2.gz NMDCISMGJNZTJF-HNNXBMFYSA-N -1 3 367.247 0.881 10 0 FCAEHM CN(C)C(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000631930729 492890270 /nfs/dbraw/zinc/89/02/70/492890270.db2.gz WTUJUJVIBOJNBS-LLVKDONJSA-N -1 3 355.441 0.827 10 0 FCAEHM CCN1C[C@@H](S(=O)(=O)[N-][C@H]2CCN(c3ccccc3)C2=O)CC1=O ZINC000631934877 492891534 /nfs/dbraw/zinc/89/15/34/492891534.db2.gz MZRLXWUJXLFGCI-KBPBESRZSA-N -1 3 351.428 0.332 10 0 FCAEHM CC(C)N1CC[C@@H]([N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)C1=O ZINC000631971435 492901438 /nfs/dbraw/zinc/90/14/38/492901438.db2.gz RSROUHVKCJMVGW-SECBINFHSA-N -1 3 354.354 0.727 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)[C@@H]3CCCS(=O)(=O)C3)cc2n(C)c1=O ZINC000652257977 492901511 /nfs/dbraw/zinc/90/15/11/492901511.db2.gz HMYQYBNYZBSGPZ-SECBINFHSA-N -1 3 353.400 0.346 10 0 FCAEHM CN1CCC[C@H](N2CCN(S(=O)(=O)c3cc([O-])cc(F)c3)CC2)C1 ZINC000631975939 492902255 /nfs/dbraw/zinc/90/22/55/492902255.db2.gz NGTWPIZHUAOZMR-AWEZNQCLSA-N -1 3 357.451 0.932 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@H](Cc1ccccc1)C(N)=O)C1CCOCC1 ZINC000645491868 492914442 /nfs/dbraw/zinc/91/44/42/492914442.db2.gz JCAXHWCSTPDFKZ-HZPDHXFCSA-N -1 3 370.471 0.444 10 0 FCAEHM Cc1cc(N2CC[C@@H]([N-]S(=O)(=O)CCOC(C)(C)C)C2=O)n(C)n1 ZINC000632041805 492917751 /nfs/dbraw/zinc/91/77/51/492917751.db2.gz XCARIDUOIPGLEJ-GFCCVEGCSA-N -1 3 358.464 0.568 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@@H]2CC(=O)N(C(C)C)C2)coc1C(=O)N(C)C ZINC000645512404 492918140 /nfs/dbraw/zinc/91/81/40/492918140.db2.gz RYUQWPIILNSXHX-LLVKDONJSA-N -1 3 357.432 0.577 10 0 FCAEHM Cc1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C)CC2 ZINC000645513851 492918253 /nfs/dbraw/zinc/91/82/53/492918253.db2.gz QIOSJXXOGGBWLR-NSHDSACASA-N -1 3 367.431 0.483 10 0 FCAEHM NC(=O)c1ccccc1N1CC[C@H]([N-]S(=O)(=O)c2cscn2)C1 ZINC000645532349 492921221 /nfs/dbraw/zinc/92/12/21/492921221.db2.gz UKSZYZFAXPVDCN-JTQLQIEISA-N -1 3 352.441 0.799 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-][C@H]1CC(=O)N(C2CC2)C1 ZINC000632065572 492922706 /nfs/dbraw/zinc/92/27/06/492922706.db2.gz CIRNSODDGUVCGY-ZETCQYMHSA-N -1 3 352.338 0.481 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]C[C@@H](O)C2CCOCC2)coc1C(=O)N(C)C ZINC000645559740 492926195 /nfs/dbraw/zinc/92/61/95/492926195.db2.gz MWGWXOMYSDNJIF-GFCCVEGCSA-N -1 3 360.432 0.356 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C)[C@H]1CN(C)CCO1 ZINC000632123785 492934431 /nfs/dbraw/zinc/93/44/31/492934431.db2.gz JNWZVBQIWDLYDR-PSASIEDQSA-N -1 3 356.370 0.436 10 0 FCAEHM CCN1C[C@@H](S(=O)(=O)[N-][C@@H]2CCCN(CC(F)(F)F)C2=O)CC1=O ZINC000632127747 492934830 /nfs/dbraw/zinc/93/48/30/492934830.db2.gz HMPSZCHIFXDSKC-VHSXEESVSA-N -1 3 371.381 0.080 10 0 FCAEHM O=S(=O)(C[C@H]1CCC1(F)F)NCC[N-]S(=O)(=O)c1cccs1 ZINC000632128621 492935223 /nfs/dbraw/zinc/93/52/23/492935223.db2.gz GWKZLLBDWOKJLA-SECBINFHSA-N -1 3 374.456 0.991 10 0 FCAEHM Cn1cnc(CCCNC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)n1 ZINC000645617575 492942294 /nfs/dbraw/zinc/94/22/94/492942294.db2.gz XXDXZLIRABADNY-UHFFFAOYSA-N -1 3 372.429 0.621 10 0 FCAEHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)[C@@H]1OC ZINC000632211915 492951769 /nfs/dbraw/zinc/95/17/69/492951769.db2.gz ADMMQWRBOJPNRR-BBBLOLIVSA-N -1 3 357.354 0.910 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@@H]2CCO[C@@]3(CCOC3)C2)coc1C(=O)N(C)C ZINC000645638251 492952562 /nfs/dbraw/zinc/95/25/62/492952562.db2.gz JIBWKAJFWJYURM-WBMJQRKESA-N -1 3 372.443 0.906 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-][C@@H]1CCCN(Cc2nccn2C)C1=O)C(C)C ZINC000645647443 492953115 /nfs/dbraw/zinc/95/31/15/492953115.db2.gz MCWXGIJRPPNFJV-KGLIPLIRSA-N -1 3 372.491 0.502 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]C[C@@H]1CCCCS1(=O)=O)C1CCOCC1 ZINC000645647947 492954109 /nfs/dbraw/zinc/95/41/09/492954109.db2.gz FGICIPACYIVGCQ-KBPBESRZSA-N -1 3 369.505 0.315 10 0 FCAEHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2coc(C(=O)N(C)C)c2C)[C@@H]1OC ZINC000645651615 492954676 /nfs/dbraw/zinc/95/46/76/492954676.db2.gz SUWYAPSYRNMNAX-GYSYKLTISA-N -1 3 360.432 0.761 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-][C@@H](C(N)=O)c1ccc(F)cc1)C1CCOCC1 ZINC000645653213 492954957 /nfs/dbraw/zinc/95/49/57/492954957.db2.gz KNGKJZDHKACNSH-LSDHHAIUSA-N -1 3 374.434 0.713 10 0 FCAEHM CN1CCO[C@@H](CS(=O)(=O)[N-]Cc2cc(COC(C)(C)C)on2)C1 ZINC000632237519 492954970 /nfs/dbraw/zinc/95/49/70/492954970.db2.gz DLWVUBPBJSEWLA-CQSZACIVSA-N -1 3 361.464 0.740 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CCN2CCO[C@@H](C)C2)coc1C(=O)N(C)C ZINC000645667031 492957330 /nfs/dbraw/zinc/95/73/30/492957330.db2.gz GENZXKXVNHGFMI-NSHDSACASA-N -1 3 359.448 0.289 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CC2(N3CCOCC3)CC2)coc1C(=O)N(C)C ZINC000645683181 492958911 /nfs/dbraw/zinc/95/89/11/492958911.db2.gz PIIDZFFLCOTOPJ-UHFFFAOYSA-N -1 3 371.459 0.433 10 0 FCAEHM O=C(Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1)C1(N2CCOCC2)CC1 ZINC000632257700 492960014 /nfs/dbraw/zinc/96/00/14/492960014.db2.gz OGSNHDBKSPQRED-CQSZACIVSA-N -1 3 358.398 0.240 10 0 FCAEHM COC[C@H]([N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C)[C@H]1CCCO1 ZINC000645686767 492960082 /nfs/dbraw/zinc/96/00/82/492960082.db2.gz DUTFBDJAUFPNFK-NWDGAFQWSA-N -1 3 360.432 0.762 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]C[C@@H](CO)[C@H]2CCOC2)coc1C(=O)N(C)C ZINC000645690477 492960677 /nfs/dbraw/zinc/96/06/77/492960677.db2.gz KWFZNQZHCLRYKR-RYUDHWBXSA-N -1 3 360.432 0.213 10 0 FCAEHM COCCn1cc(C[N-]S(=O)(=O)c2coc(C(=O)N(C)C)c2C)cn1 ZINC000645693633 492961498 /nfs/dbraw/zinc/96/14/98/492961498.db2.gz GSXVPQPXXRAJPJ-UHFFFAOYSA-N -1 3 370.431 0.611 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1nncn1C)C1CCN(CC(F)(F)F)CC1 ZINC000632280333 492963604 /nfs/dbraw/zinc/96/36/04/492963604.db2.gz ZAOSZCZKAVPNGX-SECBINFHSA-N -1 3 355.386 0.756 10 0 FCAEHM CN1CCO[C@@H](CS(=O)(=O)[N-]Cc2c(F)cc(F)c(F)c2F)C1 ZINC000632289677 492966896 /nfs/dbraw/zinc/96/68/96/492966896.db2.gz ZCGGMTBQLRDRCB-MRVPVSSYSA-N -1 3 356.341 0.993 10 0 FCAEHM C[C@H]1OCC[C@@]1(O)C[N-]S(=O)(=O)Cc1ncsc1Br ZINC000632289890 492967099 /nfs/dbraw/zinc/96/70/99/492967099.db2.gz ZVMQFWPVDKBNIJ-GMSGAONNSA-N -1 3 371.278 0.865 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CCc2nccnc2C)coc1C(=O)N(C)C ZINC000645733062 492967570 /nfs/dbraw/zinc/96/75/70/492967570.db2.gz MCMNKOQYUFOUSV-UHFFFAOYSA-N -1 3 352.416 0.909 10 0 FCAEHM CCNC(=O)[C@@H]([N-]S(=O)(=O)C[C@H](OC)C1CCOCC1)C(C)C ZINC000645731075 492967835 /nfs/dbraw/zinc/96/78/35/492967835.db2.gz MHVQIRJLPFVXRO-KBPBESRZSA-N -1 3 350.481 0.508 10 0 FCAEHM C[C@@H]1CCNC(=O)[C@@H]1[N-]S(=O)(=O)Cc1ncsc1Br ZINC000632305525 492969443 /nfs/dbraw/zinc/96/94/43/492969443.db2.gz XBYKBPLIOCWSBR-HTRCEHHLSA-N -1 3 368.278 0.850 10 0 FCAEHM CO[C@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000645746289 492969534 /nfs/dbraw/zinc/96/95/34/492969534.db2.gz OSWYAUBZVSEMIB-NEPJUHHUSA-N -1 3 360.432 0.620 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@H]2C[C@H]3CCCCN3C2=O)coc1C(=O)N(C)C ZINC000645752338 492970132 /nfs/dbraw/zinc/97/01/32/492970132.db2.gz SNKQTKSYKDKYLR-NEPJUHHUSA-N -1 3 369.443 0.722 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@@H]2CCN(C(C)(C)C)C2=O)coc1C(=O)N(C)C ZINC000645782243 492975286 /nfs/dbraw/zinc/97/52/86/492975286.db2.gz GRRJJSOETYCZJV-LLVKDONJSA-N -1 3 371.459 0.968 10 0 FCAEHM CN1CCO[C@H](CS(=O)(=O)[N-]C2(c3noc(C(F)F)n3)CCC2)C1 ZINC000632359326 492982636 /nfs/dbraw/zinc/98/26/36/492982636.db2.gz AVGRNGYIQOLRDW-VIFPVBQESA-N -1 3 366.390 0.636 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000632414408 492993442 /nfs/dbraw/zinc/99/34/42/492993442.db2.gz YMMNFIHHRSBTFQ-AOOOYVTPSA-N -1 3 368.381 0.580 10 0 FCAEHM CC[C@H]([N-]S(=O)(=O)Cc1ncsc1Br)C(=O)NC ZINC000632428584 492996308 /nfs/dbraw/zinc/99/63/08/492996308.db2.gz MRLFBYKVJIETMT-LURJTMIESA-N -1 3 356.267 0.850 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-][C@@H](CO)[C@H]1CCCOC1 ZINC000632458168 493001961 /nfs/dbraw/zinc/00/19/61/493001961.db2.gz YCRFZBLBJLYYKE-WPRPVWTQSA-N -1 3 357.354 0.505 10 0 FCAEHM Cc1cn(CC(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)nc1C(F)(F)F ZINC000626709116 493010326 /nfs/dbraw/zinc/01/03/26/493010326.db2.gz NRXYNRUZUQXTRB-ZDUSSCGKSA-N -1 3 359.308 0.411 10 0 FCAEHM CC1(C)[C@@H]([N-]S(=O)(=O)c2cnccc2C(F)(F)F)CS1(=O)=O ZINC000632493909 493011282 /nfs/dbraw/zinc/01/12/82/493011282.db2.gz MZHCFKYLYIMLEH-VIFPVBQESA-N -1 3 358.363 0.954 10 0 FCAEHM COc1ccc([O-])c(S(=O)(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)c1 ZINC000632498877 493013429 /nfs/dbraw/zinc/01/34/29/493013429.db2.gz BKBKQQTYYBAHEX-NSHDSACASA-N -1 3 357.432 0.141 10 0 FCAEHM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000652812277 493022897 /nfs/dbraw/zinc/02/28/97/493022897.db2.gz FZNSTRICKXXASP-KGLIPLIRSA-N -1 3 371.397 0.398 10 0 FCAEHM CC(C)C[C@H](NC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)C(=O)NCCN(C)C ZINC000646176804 493022988 /nfs/dbraw/zinc/02/29/88/493022988.db2.gz RYKRUDDLPICEPV-MJBXVCDLSA-N -1 3 356.467 0.631 10 0 FCAEHM CCN(C(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1)[C@@H]1CCCOC1 ZINC000652817236 493024330 /nfs/dbraw/zinc/02/43/30/493024330.db2.gz NZBCNLLETZEGQE-CYBMUJFWSA-N -1 3 358.464 0.424 10 0 FCAEHM CN1CCO[C@@H](CS(=O)(=O)[N-][C@H](CO)c2ccc(F)cc2F)C1 ZINC000632573083 493032073 /nfs/dbraw/zinc/03/20/73/493032073.db2.gz QLVXUGOMCJPGCV-BXUZGUMPSA-N -1 3 350.387 0.248 10 0 FCAEHM CCc1ccncc1NC(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000652895834 493036433 /nfs/dbraw/zinc/03/64/33/493036433.db2.gz SVMZFCAGBXPETI-UHFFFAOYSA-N -1 3 351.432 0.993 10 0 FCAEHM Cn1ccnc1C([N-]S(=O)(=O)CCOC(C)(C)C)c1nccn1C ZINC000632592434 493039538 /nfs/dbraw/zinc/03/95/38/493039538.db2.gz FOXGBHOAADDPCS-UHFFFAOYSA-N -1 3 355.464 0.978 10 0 FCAEHM CN1Cc2ccccc2[C@H]([N-]S(=O)(=O)[C@H]2CC(=O)N(C3CC3)C2)C1=O ZINC000632595309 493040713 /nfs/dbraw/zinc/04/07/13/493040713.db2.gz DFUKQIOYYLJSIG-BBRMVZONSA-N -1 3 363.439 0.382 10 0 FCAEHM CCN1C[C@@H](S(=O)(=O)[N-][C@@H]2c3ccccc3CN(C)C2=O)CC1=O ZINC000632595777 493041304 /nfs/dbraw/zinc/04/13/04/493041304.db2.gz UWTDZSWAXWBGHT-SWLSCSKDSA-N -1 3 351.428 0.240 10 0 FCAEHM O=C(COCC(F)F)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000626895252 493054679 /nfs/dbraw/zinc/05/46/79/493054679.db2.gz OZUXIGWENQZSJP-UHFFFAOYSA-N -1 3 358.313 0.641 10 0 FCAEHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)[C@H](C)O1 ZINC000632647272 493058620 /nfs/dbraw/zinc/05/86/20/493058620.db2.gz ABEWTYHORNEADV-GRYCIOLGSA-N -1 3 362.473 0.781 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000627262329 493123074 /nfs/dbraw/zinc/12/30/74/493123074.db2.gz LXAGWFMLVGSDHT-UXLLHSPISA-N -1 3 373.453 0.664 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000646918998 493127151 /nfs/dbraw/zinc/12/71/51/493127151.db2.gz CGUIBKNYTBMXPC-ZBFHGGJFSA-N -1 3 353.426 0.845 10 0 FCAEHM O=C(c1cc(=O)[n-]cn1)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000627285564 493133123 /nfs/dbraw/zinc/13/31/23/493133123.db2.gz JMLLLUJVXXFICF-NWDGAFQWSA-N -1 3 354.366 0.831 10 0 FCAEHM COCC[C@H](COC)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000641033840 493163788 /nfs/dbraw/zinc/16/37/88/493163788.db2.gz TUKBWMZAKOEDRR-NWDGAFQWSA-N -1 3 362.423 0.660 10 0 FCAEHM COCC1(NC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)CCOCC1 ZINC000647108212 493165883 /nfs/dbraw/zinc/16/58/83/493165883.db2.gz ZPIMWIJNRQBRNM-LBPRGKRZSA-N -1 3 374.434 0.804 10 0 FCAEHM Cc1cn2c(n1)CN(C(=O)Nc1ccc(C[C@H]3NC(=O)[N-]C3=O)cc1)CC2 ZINC000681431213 493167234 /nfs/dbraw/zinc/16/72/34/493167234.db2.gz CTRJKPHICBSVEY-CQSZACIVSA-N -1 3 368.397 0.990 10 0 FCAEHM COc1ncncc1CNCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000647209242 493178044 /nfs/dbraw/zinc/17/80/44/493178044.db2.gz ZXHCAEDJRIHFDU-UHFFFAOYSA-N -1 3 358.370 0.832 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12 ZINC000633784377 493188789 /nfs/dbraw/zinc/18/87/89/493188789.db2.gz ZJUARIZSKPLXBD-LOHPEHISSA-N -1 3 364.199 0.802 10 0 FCAEHM CC(C)CN1CCO[C@H](CNC(=O)CN2C[C@H](C(=O)[O-])CC[C@H]2C)C1 ZINC000647367374 493197036 /nfs/dbraw/zinc/19/70/36/493197036.db2.gz SQOIXWXRGGVKSK-BZUAXINKSA-N -1 3 355.479 0.645 10 0 FCAEHM Cn1cc(C[C@@H]2CCC[C@@H]2NC(=O)NCc2nc(CN)cc(=O)[n-]2)cn1 ZINC000659606990 493219896 /nfs/dbraw/zinc/21/98/96/493219896.db2.gz WJEGQWYPMWWFPO-JSGCOSHPSA-N -1 3 359.434 0.585 10 0 FCAEHM CCC1(CC)CN(C(=O)NCc2nc(CN)cc(=O)[n-]2)CCS1(=O)=O ZINC000659630544 493223645 /nfs/dbraw/zinc/22/36/45/493223645.db2.gz QMYUPJJCUNZTIR-UHFFFAOYSA-N -1 3 371.463 0.140 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CC[C@@H](CC(N)=O)C2)s1 ZINC000672704914 493236924 /nfs/dbraw/zinc/23/69/24/493236924.db2.gz ZCTBIOMKFZBTET-VIFPVBQESA-N -1 3 360.461 0.063 10 0 FCAEHM Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NCC2(C(=O)[O-])CCC2)o1 ZINC000659668774 493241993 /nfs/dbraw/zinc/24/19/93/493241993.db2.gz ARUWSLXOOVVVQU-UHFFFAOYSA-N -1 3 365.430 0.849 10 0 FCAEHM CN(Cc1cc(=O)[n-]c(N)n1)[C@@H]1CCN(C(=O)NC[C@H]2CCCCO2)C1 ZINC000681931879 493248051 /nfs/dbraw/zinc/24/80/51/493248051.db2.gz HTQBGDRPGQTGMF-ZIAGYGMSSA-N -1 3 364.450 0.549 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)N2CC(F)(F)C[C@@H]2CO)ccc1F ZINC000672770227 493248770 /nfs/dbraw/zinc/24/87/70/493248770.db2.gz AQEPIUCTSYVCLR-SECBINFHSA-N -1 3 367.349 0.968 10 0 FCAEHM CCCN(C[C@H]1CCCCO1)C(=O)C(=O)NCc1nc(CN)cc(=O)[n-]1 ZINC000659748650 493285392 /nfs/dbraw/zinc/28/53/92/493285392.db2.gz KISSXEWQQOBXDY-CYBMUJFWSA-N -1 3 365.434 0.065 10 0 FCAEHM CCc1nc(S(=O)(=O)[N-]C[C@@]2(CCO)CCOC2)cn1CC1CC1 ZINC000659933026 493304691 /nfs/dbraw/zinc/30/46/91/493304691.db2.gz ABQQCQKOYMGNEW-MRXNPFEDSA-N -1 3 357.476 0.923 10 0 FCAEHM CCc1nc(S(=O)(=O)[N-]CCC2CS(=O)(=O)C2)cn1CC1CC1 ZINC000659949332 493306830 /nfs/dbraw/zinc/30/68/30/493306830.db2.gz GMNBUVWQFSXRFG-UHFFFAOYSA-N -1 3 361.489 0.569 10 0 FCAEHM CC(C)O[C@]1(CS(=O)(=O)[N-][C@H](CO)C[C@H](O)C(C)(C)C)CCOC1 ZINC000659960490 493308291 /nfs/dbraw/zinc/30/82/91/493308291.db2.gz OQJMIIIPGKQVCF-OFQRWUPVSA-N -1 3 367.508 0.648 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)NC[C@H]3CCOC3(C)C)cnc21 ZINC000660113138 493326233 /nfs/dbraw/zinc/32/62/33/493326233.db2.gz IYCQXQKJGDVNQW-SECBINFHSA-N -1 3 368.415 0.128 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]C[C@@H]2CN(C)CCN2Cc2ccccc2)c1 ZINC000660122776 493328459 /nfs/dbraw/zinc/32/84/59/493328459.db2.gz KHVRISPSTSVRPT-MRXNPFEDSA-N -1 3 363.487 0.515 10 0 FCAEHM O=C(NC[C@@]1(O)CCSC1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000673952205 493377267 /nfs/dbraw/zinc/37/72/67/493377267.db2.gz KWWHFZSGNRRBFB-DYVFJYSZSA-N -1 3 350.440 0.981 10 0 FCAEHM O=C(Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1)N1CC[C@]2(CNC(=O)C2)C1 ZINC000683945949 493380504 /nfs/dbraw/zinc/38/05/04/493380504.db2.gz HBAKJMOIOQXODU-ACJLOTCBSA-N -1 3 371.397 0.181 10 0 FCAEHM CCC[C@H](C)N1C[C@@H](C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)CC1=O ZINC000684079238 493392581 /nfs/dbraw/zinc/39/25/81/493392581.db2.gz NRXIJZBIYCCBOP-PRXAMGSTSA-N -1 3 350.419 0.224 10 0 FCAEHM O=C(c1ccc2c(c1)CCCC(=O)N2)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000684078143 493392618 /nfs/dbraw/zinc/39/26/18/493392618.db2.gz DOKZSNKDEFYMBV-GOSISDBHSA-N -1 3 356.382 0.776 10 0 FCAEHM CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000684080379 493392734 /nfs/dbraw/zinc/39/27/34/493392734.db2.gz XJXSSRFWAMLOQY-KBXCAEBGSA-N -1 3 356.382 0.165 10 0 FCAEHM CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)c2cc(=O)c3ccccc3[n-]2)C1=O ZINC000674578001 493430005 /nfs/dbraw/zinc/43/00/05/493430005.db2.gz BLKMUYZMIABLET-NSPYISDASA-N -1 3 368.393 0.978 10 0 FCAEHM COC[C@@H](CCNC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)OC ZINC000661485660 493442024 /nfs/dbraw/zinc/44/20/24/493442024.db2.gz HQZJTOSLKSYYTH-CQSZACIVSA-N -1 3 365.430 0.911 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@@H]2CCc3cc(N)ccc32)cn1C ZINC000662672343 493531090 /nfs/dbraw/zinc/53/10/90/493531090.db2.gz SRISRLLABQKOAQ-CQSZACIVSA-N -1 3 363.443 0.393 10 0 FCAEHM NCc1cc(=O)[n-]c(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2)n1 ZINC000662752013 493538054 /nfs/dbraw/zinc/53/80/54/493538054.db2.gz DYOVTMNJLXFOMX-CQSZACIVSA-N -1 3 355.398 0.562 10 0 FCAEHM CCN1CC[C@H]([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)C1=O ZINC000669984227 493538928 /nfs/dbraw/zinc/53/89/28/493538928.db2.gz ZSFMLSJTIYWIEA-NSHDSACASA-N -1 3 355.391 0.610 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H](C)[C@H]1CN(C)CCO1 ZINC000676287042 493541268 /nfs/dbraw/zinc/54/12/68/493541268.db2.gz NGRRZSUQWMDDAV-SGMGOOAPSA-N -1 3 373.450 0.328 10 0 FCAEHM CCN1CC[C@@H](NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)C1=O ZINC000670049515 493543236 /nfs/dbraw/zinc/54/32/36/493543236.db2.gz ROKHKJACGXIFOJ-CQSZACIVSA-N -1 3 360.414 0.480 10 0 FCAEHM Cc1ncc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC3CC2(C)C3)cn1 ZINC000662842724 493546544 /nfs/dbraw/zinc/54/65/44/493546544.db2.gz BJFLDUBBSBFOEL-UHFFFAOYSA-N -1 3 374.488 0.731 10 0 FCAEHM CCN1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H](C(=O)[O-])C2CCC2)CC1=O ZINC000663154649 493576069 /nfs/dbraw/zinc/57/60/69/493576069.db2.gz KWDXCWCETJSVOD-OAGGEKHMSA-N -1 3 365.474 0.936 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)N1CCCc2n[nH]cc2C1 ZINC000663187545 493576808 /nfs/dbraw/zinc/57/68/08/493576808.db2.gz FQYFPBOWIGLDLP-UHFFFAOYSA-N -1 3 369.472 0.908 10 0 FCAEHM O=C([O-])[C@@H](CNC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1)C1CCC1 ZINC000663632422 493607570 /nfs/dbraw/zinc/60/75/70/493607570.db2.gz HSBWZEJHJNDOKH-CABCVRRESA-N -1 3 351.447 0.690 10 0 FCAEHM O=C1[N-]C(=O)[C@]2(CCCN(c3ncnc4c3ncn4-c3ccccc3)C2)N1 ZINC000663856204 493621758 /nfs/dbraw/zinc/62/17/58/493621758.db2.gz OSKRXFFLMLQMTM-GOSISDBHSA-N -1 3 363.381 0.994 10 0 FCAEHM C[C@]1(c2ccc(CNC(=O)N3C[C@@H]4COC[C@]4(C)C3)cc2)NC(=O)[N-]C1=O ZINC000663918815 493625695 /nfs/dbraw/zinc/62/56/95/493625695.db2.gz FLTJOTWRAPRCJT-MDASCCDHSA-N -1 3 372.425 0.919 10 0 FCAEHM Cn1nnnc1CC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000678493553 493646567 /nfs/dbraw/zinc/64/65/67/493646567.db2.gz MJYUKBUZFWITSU-UHFFFAOYSA-N -1 3 353.301 0.889 10 0 FCAEHM Cn1nnnc1CCNC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000678563825 493650907 /nfs/dbraw/zinc/65/09/07/493650907.db2.gz JLPZWALUTVDHRS-UHFFFAOYSA-N -1 3 373.417 0.519 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 ZINC000678614908 493651831 /nfs/dbraw/zinc/65/18/31/493651831.db2.gz GZOKKQKZAFTXCR-NSHDSACASA-N -1 3 350.762 0.769 10 0 FCAEHM Cc1cc(NC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)n(C2CCOCC2)n1 ZINC000679344381 493676509 /nfs/dbraw/zinc/67/65/09/493676509.db2.gz UAZIIDHRXVGBCQ-LBPRGKRZSA-N -1 3 362.390 0.311 10 0 FCAEHM Cn1cc(CCc2nc(-c3ccc([C@@]4(C)NC(=O)[N-]C4=O)cc3)no2)nn1 ZINC000664733499 493680202 /nfs/dbraw/zinc/68/02/02/493680202.db2.gz KWUJPZJNIFSAKF-QGZVFWFLSA-N -1 3 367.369 0.705 10 0 FCAEHM Cc1nnc(CNC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)s1 ZINC000679580126 493687398 /nfs/dbraw/zinc/68/73/98/493687398.db2.gz NVUDSKSCWDLPHG-QMMMGPOBSA-N -1 3 358.420 0.969 10 0 FCAEHM CCc1ncc(S(=O)(=O)[N-]C[C@@H]2CCCCN2S(C)(=O)=O)s1 ZINC000671701249 493703097 /nfs/dbraw/zinc/70/30/97/493703097.db2.gz IJTQSJBCDATDHM-JTQLQIEISA-N -1 3 367.518 0.798 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CCCCC[C@@H]2CCO)cn1C ZINC000671896014 493712244 /nfs/dbraw/zinc/71/22/44/493712244.db2.gz TWGVOSSWCPPUOS-CQSZACIVSA-N -1 3 372.491 0.551 10 0 FCAEHM CCO[C@H]1COCC[C@@H]1NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000680545425 493723400 /nfs/dbraw/zinc/72/34/00/493723400.db2.gz DVTGMZJPDCDIQT-UBHSHLNASA-N -1 3 374.434 0.803 10 0 FCAEHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CN1CCN(C2CC2)C1=O ZINC000665904329 493743705 /nfs/dbraw/zinc/74/37/05/493743705.db2.gz ZNNXDHMAYCJGSP-UHFFFAOYSA-N -1 3 352.416 0.897 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cnn(-c3ccncc3)c2)cn1 ZINC000681185528 493748944 /nfs/dbraw/zinc/74/89/44/493748944.db2.gz MAQUICYANIJVRR-UHFFFAOYSA-N -1 3 358.383 0.823 10 0 FCAEHM C[C@]1(C[C@@H]2CCCN2C(=O)NCCO[C@@H]2CC2(F)F)NC(=O)[N-]C1=O ZINC000666207040 493761901 /nfs/dbraw/zinc/76/19/01/493761901.db2.gz SCNLQFYVUHQGLJ-IMSIIYSGSA-N -1 3 360.361 0.573 10 0 FCAEHM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)[N-][C@@H]3CCCC3(F)F)cnc21 ZINC000672431194 493767259 /nfs/dbraw/zinc/76/72/59/493767259.db2.gz RBKUMUPZBMRNMZ-SECBINFHSA-N -1 3 360.342 0.500 10 0 FCAEHM C[C@@H](O)[C@@H](CO)NC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000412411504 533790847 /nfs/dbraw/zinc/79/08/47/533790847.db2.gz BSPSUERNRQUOIO-MWLCHTKSSA-N -1 3 374.440 0.291 10 0 FCAEHM CN(C)c1nc(CN(C)[C@@H]2CCN(C(=O)[C@H]3CCCOC3)C2)cc(=O)[n-]1 ZINC000276647976 522329579 /nfs/dbraw/zinc/32/95/79/522329579.db2.gz YAPCWLGWGKOPNY-DZGCQCFKSA-N -1 3 363.462 0.708 10 0 FCAEHM O=C(c1c[n-]c2c(Cl)cccc2c1=O)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000412301469 534650359 /nfs/dbraw/zinc/65/03/59/534650359.db2.gz JZKRJSSZHYVUII-QGZVFWFLSA-N -1 3 374.784 0.996 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N3CCCC[C@H]3C(F)F)cnc21 ZINC000409910107 534673505 /nfs/dbraw/zinc/67/35/05/534673505.db2.gz JXCDAGBHQVFWHC-JTQLQIEISA-N -1 3 374.369 0.842 10 0 FCAEHM CC(=O)N1CCN(C(=O)C(=O)[N-]c2nccn2-c2ccccc2)[C@H](C)C1 ZINC000411407710 526606461 /nfs/dbraw/zinc/60/64/61/526606461.db2.gz KAWIZEYKBXTBBV-CYBMUJFWSA-N -1 3 355.398 0.890 10 0 FCAEHM CCCc1nc(=NC(=O)C(=O)N2CC[C@@H](N3CCCC3)[C@H]2C)s[n-]1 ZINC000411525405 528684296 /nfs/dbraw/zinc/68/42/96/528684296.db2.gz BGQAELPVYDZTIO-VXGBXAGGSA-N -1 3 351.476 0.936 10 0 FCAEHM CCC[C@@H](O)[C@H](CO)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000412531873 529069238 /nfs/dbraw/zinc/06/92/38/529069238.db2.gz ZBRSQQCKHWLHEZ-WCFLWFBJSA-N -1 3 362.423 0.131 10 0 FCAEHM CC(CO)(CO)NC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000444368099 535179188 /nfs/dbraw/zinc/17/91/88/535179188.db2.gz VQSAUSYWHFIOHJ-UHFFFAOYSA-N -1 3 355.188 0.764 10 0 FCAEHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CC[C@H]2O)cc1F ZINC000425207558 535302653 /nfs/dbraw/zinc/30/26/53/535302653.db2.gz MYQLMPPFANKMJK-CHWSQXEVSA-N -1 3 366.436 0.779 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@H](C)O[C@H](C)[C@H]1C ZINC000443192662 536331404 /nfs/dbraw/zinc/33/14/04/536331404.db2.gz SXNBYMPZSDDRKU-QJPTWQEYSA-N -1 3 362.473 0.781 10 0 FCAEHM CO[C@H](C)c1cccc(NC(=O)C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)c1 ZINC000442030762 536879859 /nfs/dbraw/zinc/87/98/59/536879859.db2.gz UEMMLKHHOUVFRR-ZWNOBZJWSA-N -1 3 360.370 0.095 10 0 FCAEHM COC(=O)c1cccc2nc(NC(=O)[C@@H]3CCN(C)S3(=O)=O)[n-]c21 ZINC000592608710 546657205 /nfs/dbraw/zinc/65/72/05/546657205.db2.gz ZREDVJPRERAAQZ-JTQLQIEISA-N -1 3 352.372 0.322 10 0 FCAEHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H]3CCN(C)S3(=O)=O)nc21 ZINC000592608710 546657209 /nfs/dbraw/zinc/65/72/09/546657209.db2.gz ZREDVJPRERAAQZ-JTQLQIEISA-N -1 3 352.372 0.322 10 0 FCAEHM COc1cccc(S([O-])=CC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)c1 ZINC000592872933 546671966 /nfs/dbraw/zinc/67/19/66/546671966.db2.gz NFCUPBNQWMRSIA-CANCMXDXSA-N -1 3 367.471 0.381 10 0 FCAEHM COC1(CS(=O)(=O)[N-]C[C@](C)(O)C(=O)OC(C)(C)C)CCOCC1 ZINC000593577572 546718431 /nfs/dbraw/zinc/71/84/31/546718431.db2.gz LQPRSLLRUWTBJY-AWEZNQCLSA-N -1 3 367.464 0.194 10 0 FCAEHM CCOC(=O)c1ccc(S(=O)(=O)[N-]C2(C(=O)N(C)C)CC2)c(F)c1 ZINC000593609935 546727372 /nfs/dbraw/zinc/72/73/72/546727372.db2.gz ZVXSVRLBVWLCCU-UHFFFAOYSA-N -1 3 358.391 0.902 10 0 FCAEHM CCOC(=O)[C@@H](CC1(OC)CCC1)[N-]S(=O)(=O)N1CCOCC1 ZINC000593652050 546727952 /nfs/dbraw/zinc/72/79/52/546727952.db2.gz XNWCNHNQDRVDKG-GFCCVEGCSA-N -1 3 350.437 0.044 10 0 FCAEHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593712448 546743264 /nfs/dbraw/zinc/74/32/64/546743264.db2.gz WWSTZQKGGRYVFJ-KLDKYJJHSA-N -1 3 356.425 0.513 10 0 FCAEHM COC(=O)[C@H](CCF)NC(=O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000593807234 546753905 /nfs/dbraw/zinc/75/39/05/546753905.db2.gz IQBUQPAQAMZXET-NSHDSACASA-N -1 3 364.370 0.512 10 0 FCAEHM CC[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000593890441 546760657 /nfs/dbraw/zinc/76/06/57/546760657.db2.gz PIUVHLOOZJHXBO-NSHDSACASA-N -1 3 374.463 0.277 10 0 FCAEHM COCCN1CC[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000593913443 546768092 /nfs/dbraw/zinc/76/80/92/546768092.db2.gz LZQPFSZWMDHJGA-QWHCGFSZSA-N -1 3 373.450 0.329 10 0 FCAEHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@](C)(CO)OC ZINC000594483796 546796556 /nfs/dbraw/zinc/79/65/56/546796556.db2.gz FOQJLFIYGCVTOH-CYBMUJFWSA-N -1 3 351.808 0.802 10 0 FCAEHM COC[C@H]([N-]S(=O)(=O)c1cccnc1C(=O)OC)C1CCOCC1 ZINC000594799042 546826177 /nfs/dbraw/zinc/82/61/77/546826177.db2.gz HYBYXSAGEXFYRG-LBPRGKRZSA-N -1 3 358.416 0.588 10 0 FCAEHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@H]1CCO[C@H]1C(=O)OC ZINC000594824217 546837363 /nfs/dbraw/zinc/83/73/63/546837363.db2.gz JWGLVNGPFFXOMD-CMPLNLGQSA-N -1 3 361.347 0.221 10 0 FCAEHM COCc1nc(C[N-]S(=O)(=O)c2ccc(F)cc2C(=O)OC)n[nH]1 ZINC000594826487 546837633 /nfs/dbraw/zinc/83/76/33/546837633.db2.gz BCPJDYPJOYGVRY-UHFFFAOYSA-N -1 3 358.351 0.355 10 0 FCAEHM COC(=O)[C@H](CO)[N-]S(=O)(=O)c1cc(Br)ccc1OC ZINC000033893851 546846893 /nfs/dbraw/zinc/84/68/93/546846893.db2.gz BUFGVZYVDBBTGP-QMMMGPOBSA-N -1 3 368.205 0.270 10 0 FCAEHM CC(C)C(=O)N1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)CC1 ZINC000169825482 546902177 /nfs/dbraw/zinc/90/21/77/546902177.db2.gz LZDPRCSSTOUDLE-UHFFFAOYSA-N -1 3 353.444 0.999 10 0 FCAEHM COC(=O)c1cc(NC(=O)CN2CC(=O)[N-]C2=O)ccc1Br ZINC000548053234 547058885 /nfs/dbraw/zinc/05/88/85/547058885.db2.gz QUYACGXIPZYVAH-UHFFFAOYSA-N -1 3 370.159 0.726 10 0 FCAEHM O=C(Cc1ccc(Br)cc1[O-])NC[C@@H]1CN2CCN1CC2 ZINC000548734844 547062887 /nfs/dbraw/zinc/06/28/87/547062887.db2.gz PWVVTWLPHGEILG-CYBMUJFWSA-N -1 3 354.248 0.813 10 0 FCAEHM CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)cc1 ZINC000549740941 547070071 /nfs/dbraw/zinc/07/00/71/547070071.db2.gz QEXBGXDVWYNSMX-GFCCVEGCSA-N -1 3 364.431 0.113 10 0 FCAEHM C[C@@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)C1(S(C)(=O)=O)CC1 ZINC000553472591 547282199 /nfs/dbraw/zinc/28/21/99/547282199.db2.gz FVUQENRONDLHCL-SECBINFHSA-N -1 3 366.486 0.108 10 0 FCAEHM COCc1ccccc1CS(=O)(=O)[N-]Cc1nnnn1CC1CC1 ZINC000553521112 547285977 /nfs/dbraw/zinc/28/59/77/547285977.db2.gz TYCKXCNUFUAVAW-UHFFFAOYSA-N -1 3 351.432 0.849 10 0 FCAEHM COC(=O)c1csc(S(=O)(=O)[N-]C[C@H](CO)c2cccnc2)c1 ZINC000553576098 547290391 /nfs/dbraw/zinc/29/03/91/547290391.db2.gz WCRKBGROUOQTRV-GFCCVEGCSA-N -1 3 356.425 0.984 10 0 FCAEHM Cc1c(Cl)c(C(=O)[N-]c2ncn(CC(=O)OC(C)(C)C)n2)nn1C ZINC000592650946 547361239 /nfs/dbraw/zinc/36/12/39/547361239.db2.gz CWHIVZPWQGRZHF-UHFFFAOYSA-N -1 3 354.798 1.567 10 0 FCAEHM COC(=O)CC1([N-]S(=O)(=O)c2cn(C)nc2Br)CCC1 ZINC000866929252 665168443 /nfs/dbraw/zinc/16/84/43/665168443.db2.gz VCBMXLJRFATEFB-UHFFFAOYSA-N -1 3 366.237 0.947 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)O[C@@H](C(=O)N(C)C)C(C)C ZINC000729698116 665740280 /nfs/dbraw/zinc/74/02/80/665740280.db2.gz JRXZVWWZRLETMG-GFCCVEGCSA-N -1 3 361.420 0.226 10 0 FCAEHM CCOC(=O)[C@@H](C(=O)N1CCN(c2nc(C)cc(=O)[n-]2)CC1)C(C)C ZINC000899493383 665942883 /nfs/dbraw/zinc/94/28/83/665942883.db2.gz HXVAIGRPYOYNGF-CQSZACIVSA-N -1 3 350.419 0.975 10 0 FCAEHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCc2cn(C)nn2)ccc1F ZINC000092109621 664024072 /nfs/dbraw/zinc/02/40/72/664024072.db2.gz BRJRBLWSYVFIAA-UHFFFAOYSA-N -1 3 353.379 0.349 10 0 FCAEHM C[C@@H](CCS(C)(=O)=O)[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000866966117 665251999 /nfs/dbraw/zinc/25/19/99/665251999.db2.gz WSOLZZBSJABCOS-ZETCQYMHSA-N -1 3 374.282 0.284 10 0 FCAEHM COC(=O)C(C)(C)N1CCN(C(=O)c2cc3c(cc2[O-])OCO3)CC1 ZINC000436818400 666034397 /nfs/dbraw/zinc/03/43/97/666034397.db2.gz ARFIWKWCDKIWFK-UHFFFAOYSA-N -1 3 350.371 0.830 10 0 FCAEHM O=S(=O)([N-][C@H]1c2ccccc2OC[C@@H]1F)C1CCS(=O)(=O)CC1 ZINC000921318794 666432376 /nfs/dbraw/zinc/43/23/76/666432376.db2.gz CTFRWNMUUWAIDO-JSGCOSHPSA-N -1 3 363.432 0.955 10 0 FCAEHM CO[C@]12CCC[C@@]1([N-]S(=O)(=O)CCC(C)(C)S(C)(=O)=O)CCO2 ZINC000921315170 666434643 /nfs/dbraw/zinc/43/46/43/666434643.db2.gz XBXYBTSJNCNZKH-KGLIPLIRSA-N -1 3 369.505 0.805 10 0 FCAEHM Cc1cc(F)c(S(=O)(=O)[N-]C[C@@]2(CO)COCCN2C)cc1F ZINC000921339422 666436855 /nfs/dbraw/zinc/43/68/55/666436855.db2.gz DJVHDZKODRSUFA-CQSZACIVSA-N -1 3 350.387 0.245 10 0 FCAEHM C[C@@H]1CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)CCO1 ZINC000921409303 666446132 /nfs/dbraw/zinc/44/61/32/666446132.db2.gz VKFQTIACEXWZPB-SNVBAGLBSA-N -1 3 366.436 0.997 10 0 FCAEHM CC[C@@H](CO)N1CCN(C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)CC1 ZINC000183731759 666698616 /nfs/dbraw/zinc/69/86/16/666698616.db2.gz GJELAQZJOKHRMW-RYUDHWBXSA-N -1 3 353.385 0.605 10 0 FCAEHM COc1ncc(S(=O)(=O)[N-][C@@H]2CCCN(c3cnn(C)c3)C2)s1 ZINC000914185691 666721191 /nfs/dbraw/zinc/72/11/91/666721191.db2.gz OBWLGWDPVLOKNU-SNVBAGLBSA-N -1 3 357.461 0.833 10 0 FCAEHM C[C@](O)(C[N-]S(=O)(=O)c1cnn2c1OCC(C)(C)C2)C(F)(F)F ZINC000914305043 666737784 /nfs/dbraw/zinc/73/77/84/666737784.db2.gz PWTTVCJPABUZQP-NSHDSACASA-N -1 3 357.354 0.893 10 0 FCAEHM COCCO[C@H]1COCC[C@H]1[N-]S(=O)(=O)Cc1noc2c1CCCC2 ZINC000914396363 666750455 /nfs/dbraw/zinc/75/04/55/666750455.db2.gz OUOJTCZCZLKFOE-CJNGLKHVSA-N -1 3 374.459 0.793 10 0 FCAEHM O=S(=O)([N-]CC12COCCN1CCOC2)c1cc(F)ccc1Cl ZINC000918396176 667117763 /nfs/dbraw/zinc/11/77/63/667117763.db2.gz FPHICSSTLBVXGH-UHFFFAOYSA-N -1 3 364.826 0.859 10 0 FCAEHM Cc1cc(CC[N-]S(=O)(=O)c2cn(C)nc2Br)nn1C ZINC000921584025 667140229 /nfs/dbraw/zinc/14/02/29/667140229.db2.gz VVSMLUCBKJNTIE-UHFFFAOYSA-N -1 3 362.253 0.746 10 0 FCAEHM Cc1cc(S(=O)(=O)[N-][C@@H](CO)CN2CCOCC2)sc1Cl ZINC000918982134 667146265 /nfs/dbraw/zinc/14/62/65/667146265.db2.gz TYLCUXJDKYCWNC-SNVBAGLBSA-N -1 3 354.881 0.681 10 0 FCAEHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@@H]2C[C@@H]3COC[C@@H]3O2)c1 ZINC000921622360 667154287 /nfs/dbraw/zinc/15/42/87/667154287.db2.gz ZXAKBBHKMYWCCX-MDZLAQPJSA-N -1 3 359.375 0.695 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]C[C@@H]2CCCS2(=O)=O)c(Br)n1 ZINC000866974777 667171870 /nfs/dbraw/zinc/17/18/70/667171870.db2.gz ZNPPQNTVNMPWJE-ZETCQYMHSA-N -1 3 372.266 0.038 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CCN1CCC2(C1)OCCO2 ZINC000920103003 667224460 /nfs/dbraw/zinc/22/44/60/667224460.db2.gz MMLDTRATDGZWEV-UHFFFAOYSA-N -1 3 364.855 0.109 10 0 FCAEHM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000920926385 667258661 /nfs/dbraw/zinc/25/86/61/667258661.db2.gz YOFQKCAMGQGKBW-PNOQFWAASA-N -1 3 353.388 0.505 10 0 FCAEHM O=C1COc2ccccc2CN1CC[N-]S(=O)(=O)c1cccnc1F ZINC000920937693 667259797 /nfs/dbraw/zinc/25/97/97/667259797.db2.gz VEDUYYRBVOFTKB-UHFFFAOYSA-N -1 3 365.386 0.920 10 0 FCAEHM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]CC[C@@H](C)[S@@](C)=O ZINC000751506928 667473740 /nfs/dbraw/zinc/47/37/40/667473740.db2.gz RWRQWJJGHZKBCQ-IJSAXESFSA-N -1 3 351.450 0.330 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2CC(N)=O)ccc1F ZINC000752412707 667514424 /nfs/dbraw/zinc/51/44/24/667514424.db2.gz JFGGYUSLWGCRKD-NSHDSACASA-N -1 3 357.407 0.604 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@@H]1CCN1C1CCOCC1 ZINC000921911484 667540183 /nfs/dbraw/zinc/54/01/83/667540183.db2.gz IBANAAIKCLDZTR-LBPRGKRZSA-N -1 3 362.883 0.914 10 0 FCAEHM C[C@H](CC(=O)N1CC=C[C@@H]1CO)[N-]S(=O)(=O)c1cccnc1Cl ZINC000922269962 667630393 /nfs/dbraw/zinc/63/03/93/667630393.db2.gz SHIXRUJNVMBXET-GHMZBOCLSA-N -1 3 359.835 0.551 10 0 FCAEHM C[C@H](CC(=O)N[C@H](C)[C@@H](C)CO)[N-]S(=O)(=O)c1cccnc1Cl ZINC000757088817 667697295 /nfs/dbraw/zinc/69/72/95/667697295.db2.gz HHRPDBSUAURTCE-HBNTYKKESA-N -1 3 363.867 0.925 10 0 FCAEHM O=C(NC[C@H](O)C(F)(F)F)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000758271470 667750627 /nfs/dbraw/zinc/75/06/27/667750627.db2.gz SXOKAEJPFXXKFJ-NSHDSACASA-N -1 3 370.324 0.919 10 0 FCAEHM C[C@H](CC(=O)NCC1(C)COC1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000760592366 667855075 /nfs/dbraw/zinc/85/50/75/667855075.db2.gz GNFRQBPZVGNRDD-SNVBAGLBSA-N -1 3 361.851 0.945 10 0 FCAEHM CCOC(=O)C1CCN(C(=O)CN(C)Cc2nc(C)cc(=O)[n-]2)CC1 ZINC000761866152 667896452 /nfs/dbraw/zinc/89/64/52/667896452.db2.gz NPHQAHUJQNSVNR-UHFFFAOYSA-N -1 3 350.419 0.724 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](NC(N)=O)C2)ccc1F ZINC000762752233 667929503 /nfs/dbraw/zinc/92/95/03/667929503.db2.gz SHPQIVCXBPSMGR-LLVKDONJSA-N -1 3 372.422 0.395 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCCN(CC(F)(F)F)C2=O)nn1 ZINC000866993272 667951430 /nfs/dbraw/zinc/95/14/30/667951430.db2.gz XJADPIKCPVXABU-VIFPVBQESA-N -1 3 352.338 0.617 10 0 FCAEHM O=S(=O)([N-]C[C@@H]1CN2CCN1CC2)c1cc2nc(Cl)ncc2s1 ZINC000866994165 667956823 /nfs/dbraw/zinc/95/68/23/667956823.db2.gz HKOSIDVSVVHUSF-SECBINFHSA-N -1 3 373.891 0.623 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)Nc1ccnc(CO)c1 ZINC000765305696 668004718 /nfs/dbraw/zinc/00/47/18/668004718.db2.gz GQBBWZVKKZEGBI-UHFFFAOYSA-N -1 3 355.148 0.237 10 0 FCAEHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)O[C@H]1CC[C@@H](S(C)(=O)=O)C1 ZINC000771619675 668263013 /nfs/dbraw/zinc/26/30/13/668263013.db2.gz PHFKVEZEDFICKG-HBNTYKKESA-N -1 3 355.478 0.459 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC(=O)NC2=O)ccc1F ZINC000772718267 668324287 /nfs/dbraw/zinc/32/42/87/668324287.db2.gz QGBMMWBZKIYTOB-LLVKDONJSA-N -1 3 371.390 0.047 10 0 FCAEHM COC(=O)C(=O)[C@@H](C)OC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000778297762 668359799 /nfs/dbraw/zinc/35/97/99/668359799.db2.gz PQGNSCYMXACJAB-MRVPVSSYSA-N -1 3 373.358 0.554 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@@H]1CCCCS1(=O)=O ZINC000784372797 668653792 /nfs/dbraw/zinc/65/37/92/668653792.db2.gz MMDLBVPKTVYLSF-VIFPVBQESA-N -1 3 355.869 0.628 10 0 FCAEHM O=C(NC1COCCOC1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000794784159 668996106 /nfs/dbraw/zinc/99/61/06/668996106.db2.gz GUJHYQRYLRIWRF-UHFFFAOYSA-N -1 3 358.391 0.412 10 0 FCAEHM Cc1nccc(COC(=O)c2ccc(S(=O)(=O)[N-]CCO)s2)n1 ZINC000795523336 669041098 /nfs/dbraw/zinc/04/10/98/669041098.db2.gz MUAMMJCREYVMDB-UHFFFAOYSA-N -1 3 357.413 0.474 10 0 FCAEHM CS(=O)(=O)CCS(=O)(=O)[N-]Cc1ncc(Br)s1 ZINC000714665267 669341135 /nfs/dbraw/zinc/34/11/35/669341135.db2.gz HJDKBSDKNUDSBN-UHFFFAOYSA-N -1 3 363.280 0.370 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)o1 ZINC000511326229 669341250 /nfs/dbraw/zinc/34/12/50/669341250.db2.gz NDHVATXFTQYBRX-NEPJUHHUSA-N -1 3 350.462 0.974 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@@H](C)C(=O)OCC(C)C)C1CCOCC1 ZINC000827403844 669565258 /nfs/dbraw/zinc/56/52/58/669565258.db2.gz WXOFHFKGBMVPMW-GXTWGEPZSA-N -1 3 351.465 0.935 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]N1C(=O)N[C@](C)(c2ccccc2)C1=O)C1CC1 ZINC000827523475 669575382 /nfs/dbraw/zinc/57/53/82/669575382.db2.gz FBGFTQYLCYITNE-CZUORRHYSA-N -1 3 367.427 0.713 10 0 FCAEHM COC(C)(C)CS(=O)(=O)[N-]N1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC000809839424 669644526 /nfs/dbraw/zinc/64/45/26/669644526.db2.gz LTNPNBMALBWRQE-OAHLLOKOSA-N -1 3 355.416 0.713 10 0 FCAEHM Cc1noc(C)c1CCCNC(=O)C[N-]S(=O)(=O)c1c(C)noc1C ZINC000810488957 669684247 /nfs/dbraw/zinc/68/42/47/669684247.db2.gz FEAYWMHVQBLENB-UHFFFAOYSA-N -1 3 370.431 0.924 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CC[C@@H](c2ccccn2)C1 ZINC000811492433 669755031 /nfs/dbraw/zinc/75/50/31/669755031.db2.gz RMIQMQKJAKJYJA-CYBMUJFWSA-N -1 3 364.427 0.981 10 0 FCAEHM CN1CC[C@H](C(=O)OCc2noc(-c3ccccc3[O-])n2)S1(=O)=O ZINC000830159390 669759405 /nfs/dbraw/zinc/75/94/05/669759405.db2.gz XLYDIOFBNIVQBY-LLVKDONJSA-N -1 3 353.356 0.519 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@@H]1C[C@H]1C1CCOCC1 ZINC000830260710 669771200 /nfs/dbraw/zinc/77/12/00/669771200.db2.gz FAMWMCOJUBYBFY-GXSJLCMTSA-N -1 3 372.219 0.643 10 0 FCAEHM O=S(=O)([N-]C[C@]1(CCO)CCOC1)c1ccc(Cl)c2nonc21 ZINC000814388456 669882612 /nfs/dbraw/zinc/88/26/12/669882612.db2.gz IKAZLBVNBTXNTJ-ZDUSSCGKSA-N -1 3 361.807 0.944 10 0 FCAEHM COC(=O)[C@H](O)C(C)(C)[N-]S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC000814391122 669882667 /nfs/dbraw/zinc/88/26/67/669882667.db2.gz TZQMXNNLWHBQCE-JTQLQIEISA-N -1 3 363.779 0.467 10 0 FCAEHM COCC[C@]1([N-]S(=O)(=O)c2cn(C)nc2Br)CCOC1 ZINC000867199703 670069029 /nfs/dbraw/zinc/06/90/29/670069029.db2.gz TUIHXQRCOZHACG-NSHDSACASA-N -1 3 368.253 0.657 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@@H](CO)C2CCOCC2)c(Br)n1 ZINC000867220580 670087302 /nfs/dbraw/zinc/08/73/02/670087302.db2.gz ONUAODQRCJUCRD-VIFPVBQESA-N -1 3 368.253 0.248 10 0 FCAEHM Cn1c(=O)n2c(c1C(=O)OCC(=O)[N-]C(=O)c1cccs1)CCCC2 ZINC000837826413 670131893 /nfs/dbraw/zinc/13/18/93/670131893.db2.gz KZAGARCWSIFUJM-UHFFFAOYSA-N -1 3 363.395 0.698 10 0 FCAEHM CO[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cnn(C)c1I ZINC000867281924 670621643 /nfs/dbraw/zinc/62/16/43/670621643.db2.gz KYYPFSPUGCHVIO-RQJHMYQMSA-N -1 3 373.216 0.726 10 0 FCAEHM COC[C@](C)(O)CC[N-]S(=O)(=O)c1cnn(C)c1Br ZINC000867321316 670778993 /nfs/dbraw/zinc/77/89/93/670778993.db2.gz WMSIXHSULZUABU-SNVBAGLBSA-N -1 3 356.242 0.248 10 0 FCAEHM O=C1C[C@H](S(=O)(=O)[N-]Cc2cc(Br)no2)CN1C1CC1 ZINC000867323284 670782348 /nfs/dbraw/zinc/78/23/48/670782348.db2.gz NCMKCMOAUNTHTH-VIFPVBQESA-N -1 3 364.221 0.620 10 0 FCAEHM CCON(C)C(=O)CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000846506658 671120629 /nfs/dbraw/zinc/12/06/29/671120629.db2.gz RJISAZSIAIIOAQ-UHFFFAOYSA-N -1 3 373.406 0.406 10 0 FCAEHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@H](CO)c2ccnn2C)c1 ZINC000848459934 671278275 /nfs/dbraw/zinc/27/82/75/671278275.db2.gz YIZSLOXZEWPYHA-LLVKDONJSA-N -1 3 371.390 0.666 10 0 FCAEHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@H](OC)[C@H]2CCOC2)c1 ZINC000849415196 671340305 /nfs/dbraw/zinc/34/03/05/671340305.db2.gz YOMMSQDMEBGNOY-AAEUAGOBSA-N -1 3 361.391 0.942 10 0 FCAEHM O=S(=O)(CC[N-]S(=O)(=O)c1c[nH]nc1Cl)CC(F)(F)F ZINC000849441630 671346243 /nfs/dbraw/zinc/34/62/43/671346243.db2.gz KMWCBFRHDITULX-UHFFFAOYSA-N -1 3 355.747 0.319 10 0 FCAEHM COC(=O)c1cc(C)nc2nc(SCC(=O)NC(C)=O)[n-]c(=O)c21 ZINC000849880329 671366985 /nfs/dbraw/zinc/36/69/85/671366985.db2.gz GRUKQBKKWCELBT-UHFFFAOYSA-N -1 3 350.356 0.580 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)OCc2cnc(C(=O)OC)cn2)c(C)o1 ZINC000853156544 671538957 /nfs/dbraw/zinc/53/89/57/671538957.db2.gz VVNAAIOAXAYCTC-UHFFFAOYSA-N -1 3 369.355 0.430 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCNC(=O)CC2)ccc1F ZINC000854960923 671619647 /nfs/dbraw/zinc/61/96/47/671619647.db2.gz OJECJESUCXAAKS-GFCCVEGCSA-N -1 3 371.434 0.911 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](OC)[C@@H]2CCOC2)ccc1F ZINC000855205540 671629576 /nfs/dbraw/zinc/62/95/76/671629576.db2.gz GYAZVYNZGABGOG-YPMHNXCESA-N -1 3 360.407 0.515 10 0 FCAEHM C[C@@H]1CN(C(=O)c2nnc3ccccc3c2[O-])CCN1S(C)(=O)=O ZINC000855822920 671664857 /nfs/dbraw/zinc/66/48/57/671664857.db2.gz LHMDWQSSYXEVKN-SNVBAGLBSA-N -1 3 350.400 0.441 10 0 FCAEHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC(=O)N2)ccc1F ZINC000855933465 671670526 /nfs/dbraw/zinc/67/05/26/671670526.db2.gz LRIQQFQCBJPVCQ-NSHDSACASA-N -1 3 371.434 0.911 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]CC(=O)N(C)OCC(F)(F)F)C(C)C ZINC000856762444 671700580 /nfs/dbraw/zinc/70/05/80/671700580.db2.gz JDKQRAPFMYWZCN-VIFPVBQESA-N -1 3 350.359 0.529 10 0 FCAEHM CN1CCOC[C@@H]1CNC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000858839212 671779463 /nfs/dbraw/zinc/77/94/63/671779463.db2.gz YKQUJOWGFOREAS-LBPRGKRZSA-N -1 3 366.384 0.417 10 0 FCAEHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]C[C@@H](O)[C@H]2CCCO2)c1 ZINC000859287340 671810209 /nfs/dbraw/zinc/81/02/09/671810209.db2.gz MSPYTJCAGAQJAW-VXGBXAGGSA-N -1 3 361.391 0.739 10 0 FCAEHM COC(=O)[C@H](C)Oc1ccc(NC(=O)NN2CC(=O)[N-]C2=O)cc1F ZINC000861489010 671966416 /nfs/dbraw/zinc/96/64/16/671966416.db2.gz HJRIYGOLEJQZOY-ZETCQYMHSA-N -1 3 354.294 0.354 10 0 FCAEHM O=C([N-]Cc1ccc(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)o1)C(F)(F)F ZINC000862142719 672031202 /nfs/dbraw/zinc/03/12/02/672031202.db2.gz CNTPWACCYWKGDB-VHSXEESVSA-N -1 3 361.320 0.349 10 0 FCAEHM CCON(CC)C(=O)CNC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000862622740 672055409 /nfs/dbraw/zinc/05/54/09/672055409.db2.gz JYRNKRZYLLPFLW-UHFFFAOYSA-N -1 3 351.403 0.737 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](C)O[C@H](C(=O)OC)C2)ccc1F ZINC000862867259 672083947 /nfs/dbraw/zinc/08/39/47/672083947.db2.gz NSJSEDJIDUWZAB-SKDRFNHKSA-N -1 3 374.390 0.136 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2COCCN2C)ccc1F ZINC000862973723 672092864 /nfs/dbraw/zinc/09/28/64/672092864.db2.gz TYYCHDKKKZBGGI-ZDUSSCGKSA-N -1 3 373.450 0.573 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H]3CCC[C@]3(CO)C2)ccc1F ZINC000863226900 672105952 /nfs/dbraw/zinc/10/59/52/672105952.db2.gz WITFWWZBDWNZOE-BLLLJJGKSA-N -1 3 356.419 0.968 10 0 FCAEHM C[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866494953 672278287 /nfs/dbraw/zinc/27/82/87/672278287.db2.gz UXEDADRYKFQITI-RQJHMYQMSA-N -1 3 355.201 0.959 10 0 FCAEHM O=C(NCCNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)c1ccc([O-])cc1 ZINC000866755062 672298874 /nfs/dbraw/zinc/29/88/74/672298874.db2.gz FWQRPMBODHLGKV-NEPJUHHUSA-N -1 3 362.304 0.585 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CCOc2cccnc2)c(Br)n1 ZINC000866788230 672305783 /nfs/dbraw/zinc/30/57/83/672305783.db2.gz DQOVFEXVZHYXKH-UHFFFAOYSA-N -1 3 361.221 0.935 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-]CC2(O)CCC2)c1I ZINC000866836525 672316326 /nfs/dbraw/zinc/31/63/26/672316326.db2.gz QUTDHHLFYWNXMG-UHFFFAOYSA-N -1 3 371.200 0.218 10 0 FCAEHM CO[C@H](C[N-]S(=O)(=O)c1cn(C)nc1Br)[C@@H]1CCOC1 ZINC000867496845 672325979 /nfs/dbraw/zinc/32/59/79/672325979.db2.gz IRWCZFNSWQPATH-RKDXNWHRSA-N -1 3 368.253 0.512 10 0 FCAEHM CCCN1CC[C@@H]([N-]S(=O)(=O)c2cn(C)nc2Br)C1 ZINC000867527568 672331702 /nfs/dbraw/zinc/33/17/02/672331702.db2.gz GQVNRYRODPHYIA-SECBINFHSA-N -1 3 351.270 0.945 10 0 FCAEHM C[C@@H]1[C@H]([N-]S(=O)(=O)c2cn(C)nc2Br)CCS1(=O)=O ZINC000867563153 672337671 /nfs/dbraw/zinc/33/76/71/672337671.db2.gz XABHJZFYJGVIIE-RNFRBKRXSA-N -1 3 372.266 0.037 10 0 FCAEHM O=C1OC[C@]2(C[N-]S(=O)(=O)c3cccc(Cl)c3F)COCCN12 ZINC000867749931 672362983 /nfs/dbraw/zinc/36/29/83/672362983.db2.gz QPDAHBSJJCUUPQ-ZDUSSCGKSA-N -1 3 364.782 0.979 10 0 FCAEHM O=C(OCn1cc(I)c(=O)[n-]c1=O)N1CCCC1 ZINC000871674090 672566075 /nfs/dbraw/zinc/56/60/75/672566075.db2.gz VHHKGTKZTDJIPN-UHFFFAOYSA-N -1 3 365.127 0.743 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2CNS(C)(=O)=O)nc1Cl ZINC000800198697 673422353 /nfs/dbraw/zinc/42/23/53/673422353.db2.gz WNAKVTSKVYWLCL-DTWKUNHWSA-N -1 3 370.884 0.070 10 0 FCAEHM O=C1C[C@H](S(=O)(=O)[N-]C[C@@]2(C(F)(F)F)CCCN2)CN1C1CC1 ZINC000923685850 673466698 /nfs/dbraw/zinc/46/66/98/673466698.db2.gz PDRIWLXGUQCXLY-CMPLNLGQSA-N -1 3 355.382 0.354 10 0 FCAEHM CC[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C1 ZINC000926344930 673824942 /nfs/dbraw/zinc/82/49/42/673824942.db2.gz AJRIWTBCOYFEKU-QWQRMKEZSA-N -1 3 351.447 0.785 10 0 FCAEHM O=C(NCc1nc(C(F)(F)F)n[n-]1)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001625779048 1167730096 /nfs/dbraw/zinc/73/00/96/1167730096.db2.gz IETSRFBMHAPIMT-WHUPJOBBSA-N -1 3 352.338 0.796 10 0 FCAEHM COC(=O)C(C)(C)N1CCN(C(=O)CNC(=O)c2ccc([O-])cc2)CC1 ZINC000547670745 1167907606 /nfs/dbraw/zinc/90/76/06/1167907606.db2.gz UHTATRZNTRALKF-UHFFFAOYSA-N -1 3 363.414 0.218 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1cn[nH]c(=O)c1 ZINC001625855286 1168375622 /nfs/dbraw/zinc/37/56/22/1168375622.db2.gz IWOSRPLKVDFPHB-UHFFFAOYSA-N -1 3 358.326 0.169 10 0 FCAEHM Cn1c(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)c[nH]c1=O ZINC001625855616 1168376133 /nfs/dbraw/zinc/37/61/33/1168376133.db2.gz NSPIIZWMFRYXDZ-UHFFFAOYSA-N -1 3 360.342 0.112 10 0 FCAEHM Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)n1 ZINC001648891202 1169101340 /nfs/dbraw/zinc/10/13/40/1169101340.db2.gz VGGANWUSLDTWMQ-ZIAGYGMSSA-N -1 3 360.414 0.548 10 0 FCAEHM CN(Cc1cc(=O)[n-]c(N)n1)[C@H]1CCN(C(=O)c2n[nH]c3ccccc32)C1 ZINC000548680027 1171706709 /nfs/dbraw/zinc/70/67/09/1171706709.db2.gz ANYZUEFBAARXGM-LBPRGKRZSA-N -1 3 367.413 0.987 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNC(=O)CCc1cnn[nH]1 ZINC001719735595 1179839211 /nfs/dbraw/zinc/83/92/11/1179839211.db2.gz AGQDRXRNLWPUBS-VXGBXAGGSA-N -1 3 358.402 0.362 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NCCN(C)C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001745225530 1181708957 /nfs/dbraw/zinc/70/89/57/1181708957.db2.gz OLYSDXADHDERTC-UONOGXRCSA-N -1 3 362.430 0.742 10 0 FCAEHM CC(C)CC(=O)NCCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn[n-]n1)C2 ZINC001719842172 1186263414 /nfs/dbraw/zinc/26/34/14/1186263414.db2.gz ODZNMWWXWBMNEW-DYEKYZERSA-N -1 3 362.434 0.219 10 0 FCAEHM C[C@H](CNCc1nc(=O)n(C)[n-]1)NC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC001268673222 1187756381 /nfs/dbraw/zinc/75/63/81/1187756381.db2.gz HBLIHAKWWSUCGV-ADEWGFFLSA-N -1 3 365.384 0.785 10 0 FCAEHM COC[C@@H](O)CNC(=O)c1c(C)oc2[n-]c(=O)n(-c3ccccc3)c(=O)c21 ZINC000802673258 1187937645 /nfs/dbraw/zinc/93/76/45/1187937645.db2.gz QTKPJUFFWYUWJP-LBPRGKRZSA-N -1 3 373.365 0.730 10 0 FCAEHM Cn1[n-]c(CNC2(CNC(=O)[C@]34CCC[C@H]3OCC4)CCCC2)nc1=O ZINC001270771524 1188298555 /nfs/dbraw/zinc/29/85/55/1188298555.db2.gz IVCBRZAHZZHNQN-ACJLOTCBSA-N -1 3 363.462 0.586 10 0 FCAEHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)C[C@@H]3CCNC3=O)c2)[n-]1 ZINC001270989925 1189472953 /nfs/dbraw/zinc/47/29/53/1189472953.db2.gz MMBLUHOEUVIFPJ-ZDUSSCGKSA-N -1 3 371.397 0.791 10 0 FCAEHM CCOC(=O)c1nc(-c2cccc(CNC(=O)C[C@@H]3CCNC3=O)c2)n[n-]1 ZINC001270989925 1189472959 /nfs/dbraw/zinc/47/29/59/1189472959.db2.gz MMBLUHOEUVIFPJ-ZDUSSCGKSA-N -1 3 371.397 0.791 10 0 FCAEHM Cn1[n-]c(CNC/C=C\CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)nc1=O ZINC001483098035 1193898381 /nfs/dbraw/zinc/89/83/81/1193898381.db2.gz GOPCEJNXJXWVRA-LYOOOYLASA-N -1 3 359.405 0.813 10 0 FCAEHM C/C(=C/C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)CN1CCOCC1 ZINC000908304462 1195738776 /nfs/dbraw/zinc/73/87/76/1195738776.db2.gz VNAFRYFVJVWOEG-WQLSENKSSA-N -1 3 360.414 0.800 10 0 FCAEHM COc1cc2[n-]cc(C(=O)N(C)CCN(C)CCO)c(=O)c2c(OC)c1 ZINC000912599915 1196352448 /nfs/dbraw/zinc/35/24/48/1196352448.db2.gz NYPIJYPMZLLIMX-UHFFFAOYSA-N -1 3 363.414 0.541 10 0 FCAEHM CCN1CCN(c2ccc(C(=O)N3CCOC[C@@H]3c3nnn[n-]3)cc2)CC1 ZINC000913495490 1196446682 /nfs/dbraw/zinc/44/66/82/1196446682.db2.gz YJLNAAUMCJFXAG-MRXNPFEDSA-N -1 3 371.445 0.555 10 0 FCAEHM COc1ccc(CN2C[C@@H](C(=O)NCCCc3c[n-][nH]c3=O)CC2=O)cc1 ZINC001168403392 1196696056 /nfs/dbraw/zinc/69/60/56/1196696056.db2.gz HYHATNUMSJYYAD-CABCVRRESA-N -1 3 372.425 0.672 10 0 FCAEHM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H](O)CNCc1cc(=O)n2[n-]ccc2n1 ZINC001272468941 1197107591 /nfs/dbraw/zinc/10/75/91/1197107591.db2.gz BEVXVELERMONCY-BFHYXJOUSA-N -1 3 361.446 0.272 10 0 FCAEHM Cc1cc(N2CC[C@@H](OC(=O)CNC(=O)c3ccc([O-])cc3)C2=O)n(C)n1 ZINC000744940243 1198342540 /nfs/dbraw/zinc/34/25/40/1198342540.db2.gz CAHWIOBTOYJMPF-CQSZACIVSA-N -1 3 372.381 0.513 10 0 FCAEHM CON(C)C(=O)c1ccc(NC(=O)C(=O)NCc2ncccc2[O-])cc1 ZINC000792414262 1201193404 /nfs/dbraw/zinc/19/34/04/1201193404.db2.gz WHWZWSLENPXWSF-UHFFFAOYSA-N -1 3 358.354 0.676 10 0 FCAEHM C[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCc2ncccc2[O-])C1=O ZINC000792611188 1201206894 /nfs/dbraw/zinc/20/68/94/1201206894.db2.gz ZSVFEDHLOCABPV-GOSISDBHSA-N -1 3 354.366 0.871 10 0 FCAEHM O=C(Cn1c(=O)c2ccccc2[n-]c1=S)NC[C@@H]1CN2CCN1CCC2 ZINC000808024391 1202869818 /nfs/dbraw/zinc/86/98/18/1202869818.db2.gz PPXMRTUMTPNMEH-CYBMUJFWSA-N -1 3 373.482 0.191 10 0 FCAEHM Cn1ncc(CCCNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])n1 ZINC000817953056 1203127943 /nfs/dbraw/zinc/12/79/43/1203127943.db2.gz XURHBYZSFAKYAZ-HNNXBMFYSA-N -1 3 357.414 0.874 10 0 FCAEHM CCCOC(=O)CCNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001136688767 1203253443 /nfs/dbraw/zinc/25/34/43/1203253443.db2.gz KDMLQJZODYYRCU-UHFFFAOYSA-N -1 3 363.345 0.947 10 0 FCAEHM CCCOC(=O)CCNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001136688767 1203253446 /nfs/dbraw/zinc/25/34/46/1203253446.db2.gz KDMLQJZODYYRCU-UHFFFAOYSA-N -1 3 363.345 0.947 10 0 FCAEHM CC[C@@H](CNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])C(=O)OC ZINC000844024871 1203328431 /nfs/dbraw/zinc/32/84/31/1203328431.db2.gz PVZDCDBNXSPBJT-JTQLQIEISA-N -1 3 363.345 0.803 10 0 FCAEHM CC[C@@H](CNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O)C(=O)OC ZINC000844024871 1203328435 /nfs/dbraw/zinc/32/84/35/1203328435.db2.gz PVZDCDBNXSPBJT-JTQLQIEISA-N -1 3 363.345 0.803 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O ZINC001144227280 1204438183 /nfs/dbraw/zinc/43/81/83/1204438183.db2.gz SOEOROWZUDPBRQ-UGSOOPFHSA-N -1 3 371.397 0.082 10 0 FCAEHM O=C(NCC[C@@]1(O)CCOC1)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC000846443127 1204629474 /nfs/dbraw/zinc/62/94/74/1204629474.db2.gz WMGNKPSDGDOXMD-QGZVFWFLSA-N -1 3 363.345 0.145 10 0 FCAEHM O=C(NCC[C@@]1(O)CCOC1)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000846443127 1204629480 /nfs/dbraw/zinc/62/94/80/1204629480.db2.gz WMGNKPSDGDOXMD-QGZVFWFLSA-N -1 3 363.345 0.145 10 0 FCAEHM Nc1nn2c([n-]1)nc(CN1c3cc(F)ccc3OC[C@@H]1CCO)cc2=O ZINC001171677188 1206250970 /nfs/dbraw/zinc/25/09/70/1206250970.db2.gz HAFAGUJCXHTJID-NSHDSACASA-N -1 3 360.349 0.289 10 0 FCAEHM Nc1nn2c([n-]1)nc(CN[C@@H](c1ccncc1)C1(CO)CCC1)cc2=O ZINC001174890194 1206296997 /nfs/dbraw/zinc/29/69/97/1206296997.db2.gz DPZRGMMHTCHEPA-AWEZNQCLSA-N -1 3 355.402 0.388 10 0 FCAEHM COc1ccccc1[C@@H]1CN(Cc2cc(=O)n3nc(N)[n-]c3n2)CCO1 ZINC001175426189 1206304791 /nfs/dbraw/zinc/30/47/91/1206304791.db2.gz GQYOPURGKSLKGD-AWEZNQCLSA-N -1 3 356.386 0.582 10 0 FCAEHM CC1=C(C(=O)N2CCC(Cc3nnn[n-]3)CC2)[C@H](C)n2ncnc2N1C ZINC001176779913 1206319798 /nfs/dbraw/zinc/31/97/98/1206319798.db2.gz CPCQWDZZYIZJGD-NSHDSACASA-N -1 3 357.422 0.557 10 0 FCAEHM CC1=C(C(=O)N2CCC(Cc3nn[n-]n3)CC2)[C@H](C)n2ncnc2N1C ZINC001176779913 1206319802 /nfs/dbraw/zinc/31/98/02/1206319802.db2.gz CPCQWDZZYIZJGD-NSHDSACASA-N -1 3 357.422 0.557 10 0 FCAEHM COC(=O)[C@H]1CN(C)C(=O)CN1Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC001176783373 1206320369 /nfs/dbraw/zinc/32/03/69/1206320369.db2.gz VHEYSURFIRWKSZ-CYBMUJFWSA-N -1 3 360.366 0.623 10 0 FCAEHM COC(=O)[C@H]1CN(Cc2cc(=O)oc3cc([O-])ccc23)C[C@H]1C(=O)OC ZINC001176903411 1206325820 /nfs/dbraw/zinc/32/58/20/1206325820.db2.gz ZKNRPUJXYVZGRL-OKILXGFUSA-N -1 3 361.350 0.893 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CC[C@H](NC(=O)c3ccc4c(n3)OCCO4)C2)n1 ZINC001177889373 1206349688 /nfs/dbraw/zinc/34/96/88/1206349688.db2.gz LEVJVVRURUUZCD-NSHDSACASA-N -1 3 357.370 0.666 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)[C@H]3COc4ccc(O)cc4O3)CC2)n1 ZINC001178044123 1206351255 /nfs/dbraw/zinc/35/12/55/1206351255.db2.gz ZXXBLGBGPLTBNC-OAHLLOKOSA-N -1 3 372.381 0.685 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccc(Cc2nnc[nH]2)cc1 ZINC001180027200 1206388126 /nfs/dbraw/zinc/38/81/26/1206388126.db2.gz GHSNYOVIHGWRPI-AWEZNQCLSA-N -1 3 365.397 0.900 10 0 FCAEHM CCNC(=O)c1cccc(NC(=O)CN2CCC(Cc3nnn[n-]3)CC2)c1 ZINC001197448914 1208162122 /nfs/dbraw/zinc/16/21/22/1208162122.db2.gz HAYFHAWWMJBFJQ-UHFFFAOYSA-N -1 3 371.445 0.843 10 0 FCAEHM CCNC(=O)c1cccc(NC(=O)CN2CCC(Cc3nn[n-]n3)CC2)c1 ZINC001197448914 1208162128 /nfs/dbraw/zinc/16/21/28/1208162128.db2.gz HAYFHAWWMJBFJQ-UHFFFAOYSA-N -1 3 371.445 0.843 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@H]1CCN(CC(=O)N[C@@H](C)C2CC2)[C@@H]1C ZINC001489285839 1208716488 /nfs/dbraw/zinc/71/64/88/1208716488.db2.gz MGUDTQDQZMTIPQ-SUHUHFCYSA-N -1 3 361.446 0.598 10 0 FCAEHM CCC[C@H](C)C(=O)N[C@@H]1CN(C(=O)Cc2c(C)nc(C)[n-]c2=O)C[C@H]1O ZINC001489315228 1208760842 /nfs/dbraw/zinc/76/08/42/1208760842.db2.gz RDDVMMXDZQEWMB-COLVAYQJSA-N -1 3 364.446 0.466 10 0 FCAEHM C[C@@H]1CN(C(=O)CCS(C)(=O)=O)C[C@H]1NC(=O)c1ccccc1[O-] ZINC001489431747 1208827312 /nfs/dbraw/zinc/82/73/12/1208827312.db2.gz SGXHQGZVBYXBFW-DGCLKSJQSA-N -1 3 354.428 0.404 10 0 FCAEHM Cc1ccc(C)c(CCCC(=O)N2C[C@@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)c1 ZINC001489599220 1209025592 /nfs/dbraw/zinc/02/55/92/1209025592.db2.gz IXNVNSLVIDCSIT-SJORKVTESA-N -1 3 371.441 0.746 10 0 FCAEHM C[C@H](CC(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@@H]1O)n1cccn1 ZINC001489627833 1209060423 /nfs/dbraw/zinc/06/04/23/1209060423.db2.gz UNOPZRPZWYAKHF-XPKDYRNWSA-N -1 3 358.398 0.542 10 0 FCAEHM CCO[C@@H]1CN(C(=O)C[C@H](C)OC)C[C@H]1CNC(=O)c1cnc[n-]c1=O ZINC001489926164 1209157943 /nfs/dbraw/zinc/15/79/43/1209157943.db2.gz JOTBSBJWOBUMSF-OUCADQQQSA-N -1 3 366.418 0.201 10 0 FCAEHM CC(C)C(=O)N(C)CC(=O)N1CC[C@H](NC(=O)c2cnc[n-]c2=O)[C@H]1C ZINC001490104650 1209231870 /nfs/dbraw/zinc/23/18/70/1209231870.db2.gz SOBLSFHJCPDFKM-YPMHNXCESA-N -1 3 363.418 0.016 10 0 FCAEHM COC[C@@H](C)C(=O)N[C@H]1CCN(C(=O)CCc2c(C)nc[n-]c2=O)[C@@H]1C ZINC001490080874 1209245655 /nfs/dbraw/zinc/24/56/55/1209245655.db2.gz UHVLOTLIHVQGIL-KYOSRNDESA-N -1 3 364.446 0.811 10 0 FCAEHM CCOCC(=O)N1C[C@@H](CNC(=O)Cc2c(C)nc(C)[n-]c2=O)[C@H](C)C1 ZINC001490302729 1209302225 /nfs/dbraw/zinc/30/22/25/1209302225.db2.gz RWRJJDNGAMDYCN-BXUZGUMPSA-N -1 3 364.446 0.589 10 0 FCAEHM C[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1CCNC(=O)c1cnc[n-]c1=O ZINC001490429002 1209351464 /nfs/dbraw/zinc/35/14/64/1209351464.db2.gz MMGNMFMLPWFKNG-VXGBXAGGSA-N -1 3 358.402 0.362 10 0 FCAEHM COC(=O)CCCO[N-]C(=O)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000850818415 1209490222 /nfs/dbraw/zinc/49/02/22/1209490222.db2.gz AJMHWMFYRRKZGD-AWEZNQCLSA-N -1 3 365.386 0.287 10 0 FCAEHM COC(=O)CCCO[N-]C(=O)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000850818416 1209490380 /nfs/dbraw/zinc/49/03/80/1209490380.db2.gz AJMHWMFYRRKZGD-CQSZACIVSA-N -1 3 365.386 0.287 10 0 FCAEHM CC(C)(C)OC(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@H](O)C2CCC2)n1 ZINC000856336754 1209705974 /nfs/dbraw/zinc/70/59/74/1209705974.db2.gz XZPVUIVIEJKJLT-CQSZACIVSA-N -1 3 366.418 0.984 10 0 FCAEHM COc1cc(C(=O)N2CCNC(=O)CC23CCOCC3)cc(OC)c1[O-] ZINC000871365838 1210142092 /nfs/dbraw/zinc/14/20/92/1210142092.db2.gz FHIVDAFPQWPYNE-UHFFFAOYSA-N -1 3 364.398 0.921 10 0 FCAEHM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccccc1[O-])S(C)(=O)=O ZINC001490828600 1211447207 /nfs/dbraw/zinc/44/72/07/1211447207.db2.gz RMIGDHMJTBRVIR-UNJBNNCHSA-N -1 3 366.439 0.687 10 0 FCAEHM CCN(CC)C(=O)CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn[n-]n1)C2 ZINC001490830477 1211450471 /nfs/dbraw/zinc/45/04/71/1211450471.db2.gz HVNVLMPUQNKHFN-BZPMIXESSA-N -1 3 362.434 0.315 10 0 FCAEHM CN1C[C@H](CCNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC1=O ZINC000927744622 1211580774 /nfs/dbraw/zinc/58/07/74/1211580774.db2.gz CZVBIJKHWNJHNP-UKRRQHHQSA-N -1 3 359.426 0.981 10 0 FCAEHM CC[C@H](CNC(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1)C(=O)[O-] ZINC000927957763 1211594601 /nfs/dbraw/zinc/59/46/01/1211594601.db2.gz ZRVGLEZMMOVQOZ-HZPDHXFCSA-N -1 3 361.442 0.946 10 0 FCAEHM CC(=O)NCC(=O)N1CCCN(C[C@H](C)C(=O)c2ccc([O-])cc2)CC1 ZINC000931254463 1211747516 /nfs/dbraw/zinc/74/75/16/1211747516.db2.gz CENJVMUJMCMNIP-AWEZNQCLSA-N -1 3 361.442 0.881 10 0 FCAEHM Cc1nn(C)cc1C1=NO[C@H](C(=O)NCCNC(=O)c2ccc([O-])cc2)C1 ZINC001137463779 1216642216 /nfs/dbraw/zinc/64/22/16/1216642216.db2.gz ZFNCYJDBYVINNZ-INIZCTEOSA-N -1 3 371.397 0.473 10 0 FCAEHM Cc1nn(-c2cccnc2)nc1C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC001137463413 1216642273 /nfs/dbraw/zinc/64/22/73/1216642273.db2.gz JPPVHQIWJFNZOS-UHFFFAOYSA-N -1 3 366.381 0.836 10 0 FCAEHM CCN1CCN(c2ccc(C(=O)N3CCN(C(=O)C(=O)[O-])CC3)cc2)CC1 ZINC000902775931 1218312134 /nfs/dbraw/zinc/31/21/34/1218312134.db2.gz FSXFLJURWWPQPG-UHFFFAOYSA-N -1 3 374.441 0.198 10 0 FCAEHM CC(C)NC(=O)CN(C)CC(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000803694007 1218488539 /nfs/dbraw/zinc/48/85/39/1218488539.db2.gz GRMVZPYPCGNAQJ-UHFFFAOYSA-N -1 3 362.386 0.942 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCc3nc(COC)nn3C2)c1 ZINC001137342092 1219045298 /nfs/dbraw/zinc/04/52/98/1219045298.db2.gz LXIYAOKKDBGXQE-LBPRGKRZSA-N -1 3 371.397 0.999 10 0 FCAEHM COc1nnc(NC(=O)[C@@]2(NC(=O)OCc3ccccc3)CCOC2)[n-]1 ZINC000781012847 1221045155 /nfs/dbraw/zinc/04/51/55/1221045155.db2.gz AULRQXKNCBLKHF-MRXNPFEDSA-N -1 3 361.358 0.837 10 0 FCAEHM COc1nc(NC(=O)[C@@]2(NC(=O)OCc3ccccc3)CCOC2)n[n-]1 ZINC000781012847 1221045158 /nfs/dbraw/zinc/04/51/58/1221045158.db2.gz AULRQXKNCBLKHF-MRXNPFEDSA-N -1 3 361.358 0.837 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@@]2(NC(=O)OCc3ccccc3)CCOC2)n1 ZINC000781012847 1221045162 /nfs/dbraw/zinc/04/51/62/1221045162.db2.gz AULRQXKNCBLKHF-MRXNPFEDSA-N -1 3 361.358 0.837 10 0 FCAEHM CCCCNc1cc(N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)nc(N)n1 ZINC001118951693 1221849825 /nfs/dbraw/zinc/84/98/25/1221849825.db2.gz KVIVDZRZUKKCDY-QGZVFWFLSA-N -1 3 364.450 0.637 10 0 FCAEHM COC(=O)C1CC2(C1)CN(CC(=O)N1C[C@@H](C)O[C@@H](C)C1)C[C@H]2C(=O)[O-] ZINC001119607052 1221939782 /nfs/dbraw/zinc/93/97/82/1221939782.db2.gz WEWIZFGFHKOIDD-GVKYDWODSA-N -1 3 368.430 0.208 10 0 FCAEHM c1ccc(Cn2c(-c3nnn[n-]3)nnc2N2CCN(C3CC3)CC2)cc1 ZINC001122159157 1222245373 /nfs/dbraw/zinc/24/53/73/1222245373.db2.gz AAYSBGCRACXEIA-UHFFFAOYSA-N -1 3 351.418 0.791 10 0 FCAEHM c1ccc(Cn2c(-c3nn[n-]n3)nnc2N2CCN(C3CC3)CC2)cc1 ZINC001122159157 1222245378 /nfs/dbraw/zinc/24/53/78/1222245378.db2.gz AAYSBGCRACXEIA-UHFFFAOYSA-N -1 3 351.418 0.791 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CC[C@@H](NC(=O)[C@@H]3CCCN(C4CC4)C3=O)C2)n1 ZINC001123915053 1222366262 /nfs/dbraw/zinc/36/62/62/1222366262.db2.gz RYXOYWXCWKDYBW-OCCSQVGLSA-N -1 3 359.430 0.587 10 0 FCAEHM CN1CCN(C(=O)CC2CCN(C(=O)c3ccc(N)cc3[O-])CC2)CC1 ZINC000829054595 1222426739 /nfs/dbraw/zinc/42/67/39/1222426739.db2.gz RTTJWBGTEWFDMA-UHFFFAOYSA-N -1 3 360.458 0.991 10 0 FCAEHM C[C@H](NC(=O)C1CN([C@H]2CCOC2)C1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001140272787 1222581200 /nfs/dbraw/zinc/58/12/00/1222581200.db2.gz SMCRTSKTFGEXEE-OBJOEFQTSA-N -1 3 362.430 0.587 10 0 FCAEHM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCC(CCN2CCOCC2)CC1 ZINC001140876076 1222619774 /nfs/dbraw/zinc/61/97/74/1222619774.db2.gz ONNGBVGTQYJLLD-UHFFFAOYSA-N -1 3 367.450 0.430 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])N1CC[C@](O)(C(F)F)C1 ZINC000836822644 1222628832 /nfs/dbraw/zinc/62/88/32/1222628832.db2.gz KXVRQMSTZHRFRR-MRXNPFEDSA-N -1 3 369.299 0.716 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c([O-])cc1=O)N1CC[C@](O)(C(F)F)C1 ZINC000836822644 1222628836 /nfs/dbraw/zinc/62/88/36/1222628836.db2.gz KXVRQMSTZHRFRR-MRXNPFEDSA-N -1 3 369.299 0.716 10 0 FCAEHM O=C(CN1C(=O)NC2(CCCCC2)C1=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001164321588 1223237564 /nfs/dbraw/zinc/23/75/64/1223237564.db2.gz ITGJUVVFAHRROS-LLVKDONJSA-N -1 3 361.402 0.686 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)NC[C@H]2CN(C3CC3)C(=O)O2)c([O-])c1 ZINC000848365237 1245368902 /nfs/dbraw/zinc/36/89/02/1245368902.db2.gz WBPGWOHPMGLSMV-ZDUSSCGKSA-N -1 3 361.398 0.920 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@@H]3CCNC(=O)[C@@H]32)c([O-])c1 ZINC000922442421 1245677157 /nfs/dbraw/zinc/67/71/57/1245677157.db2.gz KPDMQHUVMISROX-CXAGYDPISA-N -1 3 359.426 0.948 10 0 FCAEHM C[C@@H]1CCN(C(=O)c2cnc[n-]c2=O)[C@H](CNC(=O)Cc2cnoc2)C1 ZINC001515314802 1265499239 /nfs/dbraw/zinc/49/92/39/1265499239.db2.gz DKGPOGGJGGXYJP-YPMHNXCESA-N -1 3 359.386 0.770 10 0 FCAEHM O=C(C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)N1CC(CC2CC2)C1 ZINC001329559578 1265781084 /nfs/dbraw/zinc/78/10/84/1265781084.db2.gz FFLQTOGJYOPZIG-UHFFFAOYSA-N -1 3 371.437 0.935 10 0 FCAEHM Cn1nnc(C(=O)[N-]c2ccc(Br)cc2S(C)(=O)=O)n1 ZINC001520133663 1265855654 /nfs/dbraw/zinc/85/56/54/1265855654.db2.gz VTNDBAOKDBOGHR-UHFFFAOYSA-N -1 3 360.193 0.628 10 0 FCAEHM O=C([C@H]1COCCN1CC(F)(F)F)N1CCC(Cc2nnn[n-]2)CC1 ZINC001521868601 1266195758 /nfs/dbraw/zinc/19/57/58/1266195758.db2.gz VUQFEICHFXUZIO-LLVKDONJSA-N -1 3 362.356 0.244 10 0 FCAEHM O=C([C@H]1COCCN1CC(F)(F)F)N1CCC(Cc2nn[n-]n2)CC1 ZINC001521868601 1266195762 /nfs/dbraw/zinc/19/57/62/1266195762.db2.gz VUQFEICHFXUZIO-LLVKDONJSA-N -1 3 362.356 0.244 10 0 FCAEHM Cn1cnnc1C1CCN(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)CC1 ZINC001251450838 1259748611 /nfs/dbraw/zinc/74/86/11/1259748611.db2.gz HZQCVQYYWJHBMO-CYBMUJFWSA-N -1 3 372.433 0.479 10 0 FCAEHM Cc1c[nH]nc1C(=O)NCC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001521995349 1266285197 /nfs/dbraw/zinc/28/51/97/1266285197.db2.gz DNNLTANDACQWRE-VXGBXAGGSA-N -1 3 358.402 0.742 10 0 FCAEHM CN1CCc2ccc(S(=O)(=O)NC3CCN(CC(=O)[O-])CC3)cc21 ZINC001335818433 1259854932 /nfs/dbraw/zinc/85/49/32/1259854932.db2.gz PJMGMVWUFBADFS-UHFFFAOYSA-N -1 3 353.444 0.506 10 0 FCAEHM COC[C@]1(C(=O)N2C[C@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)CCCCN1 ZINC001331846986 1266293987 /nfs/dbraw/zinc/29/39/87/1266293987.db2.gz ZLLBIEFXZQNANL-LBTNJELSSA-N -1 3 364.446 0.596 10 0 FCAEHM COC(=O)[C@@]1(N2CCN(Cc3cc(=O)[n-]c(C4CC4)n3)CC2)CCOC1 ZINC001261801046 1260191598 /nfs/dbraw/zinc/19/15/98/1260191598.db2.gz CGYAYLOCNMVZLM-GOSISDBHSA-N -1 3 362.430 0.509 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)NC[C@H](C)N(C)C(=O)[C@]12C[C@H]1COC2 ZINC001280516475 1261065620 /nfs/dbraw/zinc/06/56/20/1261065620.db2.gz NTSFUQYDRQTQLK-FNFWKMNBSA-N -1 3 362.430 0.423 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC1(CCO)CN(C(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001280562051 1261069070 /nfs/dbraw/zinc/06/90/70/1261069070.db2.gz LZQKHLWOCFOZCL-QWHCGFSZSA-N -1 3 360.414 0.230 10 0 FCAEHM CN(C[C@H](O)CNC(=O)c1cnc[n-]c1=O)C(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001281259340 1261099662 /nfs/dbraw/zinc/09/96/62/1261099662.db2.gz NDNZDZKWFLGLBS-YNEHKIRRSA-N -1 3 364.446 0.804 10 0 FCAEHM CCN(C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)[C@H](C)CNC(=O)c1cnc[n-]c1=O ZINC001281485112 1261115875 /nfs/dbraw/zinc/11/58/75/1261115875.db2.gz IMALQUXLNYGORS-UKTARXLSSA-N -1 3 362.430 0.964 10 0 FCAEHM CC(C)COCCC(=O)N1CC[C@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@H]21 ZINC001281600995 1261120528 /nfs/dbraw/zinc/12/05/28/1261120528.db2.gz IJKRBECPYVWMIE-DZGCQCFKSA-N -1 3 362.430 0.918 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1CC[C@H]2CN(C(=O)COC(C)(C)C)C[C@H]21 ZINC001281628927 1261128585 /nfs/dbraw/zinc/12/85/85/1261128585.db2.gz MBFRRFAGCIFUNT-QWHCGFSZSA-N -1 3 362.430 0.979 10 0 FCAEHM C[C@@H]1CCCN(C(=O)c2cnc[n-]c2=O)[C@@H]1CCCNC(=O)CC(N)=O ZINC001282228077 1261386892 /nfs/dbraw/zinc/38/68/92/1261386892.db2.gz VLFNHQQDZJCBNN-DGCLKSJQSA-N -1 3 363.418 0.195 10 0 FCAEHM CN(CC(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1)S(C)(=O)=O ZINC001472241006 1261453751 /nfs/dbraw/zinc/45/37/51/1261453751.db2.gz KNLMCNRVKUABMB-UHFFFAOYSA-N -1 3 366.399 0.597 10 0 FCAEHM CN(CC(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1)S(C)(=O)=O ZINC001472241006 1261453757 /nfs/dbraw/zinc/45/37/57/1261453757.db2.gz KNLMCNRVKUABMB-UHFFFAOYSA-N -1 3 366.399 0.597 10 0 FCAEHM NC(=O)COc1ccccc1C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001472253634 1261455110 /nfs/dbraw/zinc/45/51/10/1261455110.db2.gz SUBUXGMZZALJMJ-LLVKDONJSA-N -1 3 357.370 0.055 10 0 FCAEHM CO[C@H](C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)C(=O)OC(C)(C)C ZINC001472253957 1261455484 /nfs/dbraw/zinc/45/54/84/1261455484.db2.gz FINBFCSBWJGYEF-GXFFZTMASA-N -1 3 352.391 0.234 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NCCNc1ccc(C)cn1 ZINC001472623650 1261480292 /nfs/dbraw/zinc/48/02/92/1261480292.db2.gz FHSXXGULQBDEMO-UHFFFAOYSA-N -1 3 367.431 0.501 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CNC(=O)CCn1cccc1 ZINC001282506512 1261492822 /nfs/dbraw/zinc/49/28/22/1261492822.db2.gz CVFHZFJYKATJLP-ZIAGYGMSSA-N -1 3 357.414 0.898 10 0 FCAEHM CN(C)C(=O)c1ccc(NC(=O)CN2CCC(Cc3nnn[n-]3)CC2)cc1 ZINC001473764637 1261495525 /nfs/dbraw/zinc/49/55/25/1261495525.db2.gz ODOXGWNOXCPJRD-UHFFFAOYSA-N -1 3 371.445 0.795 10 0 FCAEHM CN(C)C(=O)c1ccc(NC(=O)CN2CCC(Cc3nn[n-]n3)CC2)cc1 ZINC001473764637 1261495529 /nfs/dbraw/zinc/49/55/29/1261495529.db2.gz ODOXGWNOXCPJRD-UHFFFAOYSA-N -1 3 371.445 0.795 10 0 FCAEHM CC[C@@H](C(=O)N[C@]12CCC[C@H]1CN(C(=O)c1n[nH]c(C)c1[O-])C2)N(C)C ZINC001282825406 1261648821 /nfs/dbraw/zinc/64/88/21/1261648821.db2.gz ROBWLQWVGLFETO-LXIYXOSZSA-N -1 3 363.462 0.875 10 0 FCAEHM O=C(NCCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)c1cnc(C2CC2)[n-]c1=O ZINC001283022010 1261664274 /nfs/dbraw/zinc/66/42/74/1261664274.db2.gz DYFVGFVMMCBGPA-GHMZBOCLSA-N -1 3 356.386 0.432 10 0 FCAEHM CN(C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)[C@@H](CNCc1nc(=O)n(C)[n-]1)C1CC1 ZINC001283520563 1261690185 /nfs/dbraw/zinc/69/01/85/1261690185.db2.gz NEDJJSNWHQGKON-RZLSGREXSA-N -1 3 363.462 0.250 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)CNC(=O)Nc1ccccc1 ZINC001345478425 1261717700 /nfs/dbraw/zinc/71/77/00/1261717700.db2.gz BQDQSBXBZIUIKE-YPMHNXCESA-N -1 3 371.401 0.346 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CNC(=O)CCc1c(C)nc[n-]c1=O ZINC001284277029 1261743229 /nfs/dbraw/zinc/74/32/29/1261743229.db2.gz PVCDKPDMFGSYRU-DFBGVHRSSA-N -1 3 364.446 0.859 10 0 FCAEHM O=C(CCC(F)F)N1CCC([C@@H]2OCC[C@H]2NC(=O)c2cn[n-]n2)CC1 ZINC001285028220 1261804609 /nfs/dbraw/zinc/80/46/09/1261804609.db2.gz ABWVKQRSNRWWLC-ABAIWWIYSA-N -1 3 371.388 0.976 10 0 FCAEHM O=C(NCC=CCNC(=O)[C@]12C[C@H]1COC2)c1nnc2ccccc2c1[O-] ZINC001285563186 1261852834 /nfs/dbraw/zinc/85/28/34/1261852834.db2.gz JODVHLRWDCLOGB-YITDDOLQSA-N -1 3 368.393 0.774 10 0 FCAEHM O=C(C[C@@H]1C[C@H]1c1ccccc1)N1CC(CCO)(NC(=O)c2cn[n-]n2)C1 ZINC001285946596 1261893173 /nfs/dbraw/zinc/89/31/73/1261893173.db2.gz DPSIJUURWDRNKH-GJZGRUSLSA-N -1 3 369.425 0.692 10 0 FCAEHM C[C@@]1(CNC(=O)c2cnc[n-]c2=O)CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001286133937 1261917124 /nfs/dbraw/zinc/91/71/24/1261917124.db2.gz JLBGWECHFDWLCL-AEVLCDIHSA-N -1 3 374.441 0.966 10 0 FCAEHM C[C@H](Oc1cccnc1)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001289408130 1262195623 /nfs/dbraw/zinc/19/56/23/1262195623.db2.gz SQXNLDKXKHMEGF-TYNCELHUSA-N -1 3 371.397 0.621 10 0 FCAEHM CC/C=C(/C)C(=O)N[C@@H]1CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C[C@@H]1O ZINC001289581108 1262259609 /nfs/dbraw/zinc/25/96/09/1262259609.db2.gz ZWAISCASMZSAER-CPLIYIOASA-N -1 3 360.414 0.717 10 0 FCAEHM CC(=O)NC(C)(C)C(=O)N1C[C@H]2CCN(C(=O)c3ccccc3[O-])C[C@H]21 ZINC001289824768 1262351950 /nfs/dbraw/zinc/35/19/50/1262351950.db2.gz YSMNARKQMLXMCQ-UKRRQHHQSA-N -1 3 359.426 0.980 10 0 FCAEHM O=C(NCc1nc(CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)cc(=O)[n-]1)C(F)F ZINC001290362467 1262433275 /nfs/dbraw/zinc/43/32/75/1262433275.db2.gz CXVGWBPCCAQFFN-GMOODISLSA-N -1 3 370.356 0.495 10 0 FCAEHM C[C@@H]1CN(C(=O)Cc2cnoc2)C[C@H]1CCNC(=O)c1cnc[n-]c1=O ZINC001291633782 1262570438 /nfs/dbraw/zinc/57/04/38/1262570438.db2.gz HHHCWOPYZUFMMW-DGCLKSJQSA-N -1 3 359.386 0.627 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)CN1CC[C@@H](c2ccccc2)NC1=O ZINC001292969245 1262706669 /nfs/dbraw/zinc/70/66/69/1262706669.db2.gz FAMCNSVNLBQLHJ-GJZGRUSLSA-N -1 3 357.414 0.771 10 0 FCAEHM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001300192815 1262984125 /nfs/dbraw/zinc/98/41/25/1262984125.db2.gz BKGNZHHKWKPFIA-LLVKDONJSA-N -1 3 365.434 0.241 10 0 FCAEHM C[C@@H](C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1)N1C(=O)NC2(CCCC2)C1=O ZINC001300193360 1262985236 /nfs/dbraw/zinc/98/52/36/1262985236.db2.gz JSUVGPPJCBLJGZ-WDEREUQCSA-N -1 3 361.402 0.684 10 0 FCAEHM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N[C@H](CCO)C(F)(F)F ZINC001479155813 1263173223 /nfs/dbraw/zinc/17/32/23/1263173223.db2.gz CNYNMWHOBVHXKC-SECBINFHSA-N -1 3 350.297 0.367 10 0 FCAEHM CO[C@@H](CC(=O)NC[C@H]1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1)C(F)(F)F ZINC001479486387 1263219124 /nfs/dbraw/zinc/21/91/24/1263219124.db2.gz GLEHZWKQBGLXMT-AEJSXWLSSA-N -1 3 365.356 0.852 10 0 FCAEHM Cc1ccccc1C[C@@H](CO)NC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001479509495 1263235460 /nfs/dbraw/zinc/23/54/60/1263235460.db2.gz SKFLUJKNBMSBHP-CVEARBPZSA-N -1 3 371.441 0.972 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2cnc[n-]c2=O)CCN1CC(=O)N[C@H](C)C1CC1 ZINC001316732402 1263439074 /nfs/dbraw/zinc/43/90/74/1263439074.db2.gz DEYHLHUWPGRVSK-BYCMXARLSA-N -1 3 361.446 0.680 10 0 FCAEHM Cn1[n-]c(CN2CC[C@@H](CCNC(=O)[C@@H]3CCO[C@H]3C3CC3)C2)nc1=O ZINC001481441428 1263440443 /nfs/dbraw/zinc/44/04/43/1263440443.db2.gz IHDVCPVNTPIKOS-XPKDYRNWSA-N -1 3 363.462 0.252 10 0 FCAEHM CN(CCNCc1cc(=O)n2[n-]ccc2n1)C(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001317631444 1263518934 /nfs/dbraw/zinc/51/89/34/1263518934.db2.gz OQIOQLMKRYSUQM-ZIAGYGMSSA-N -1 3 355.398 0.967 10 0 FCAEHM CN(CCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001492415038 1263656584 /nfs/dbraw/zinc/65/65/84/1263656584.db2.gz UHKAMNYRDZQOBK-OLZOCXBDSA-N -1 3 361.446 0.509 10 0 FCAEHM CN1CC[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)[C@H]1c1ccc(F)cc1 ZINC001319699557 1263722534 /nfs/dbraw/zinc/72/25/34/1263722534.db2.gz FKPLCVFSGZPKAL-GDBMZVCRSA-N -1 3 360.389 0.627 10 0 FCAEHM CC[C@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NCc1cc(=O)n2[n-]ccc2n1 ZINC001495026249 1263796189 /nfs/dbraw/zinc/79/61/89/1263796189.db2.gz IYWYBRXNGXYRDK-BVWOBERRSA-N -1 3 371.441 0.430 10 0 FCAEHM Cc1c(C([O-])=COC(=O)Cc2[nH]c(O)nc2O)cnn1-c1ccccc1 ZINC001322511491 1264209111 /nfs/dbraw/zinc/20/91/11/1264209111.db2.gz FUCFPEFNROALRT-ZDUSSCGKSA-N -1 3 356.338 0.505 10 0 FCAEHM CCC[C@@H]1C[C@H]1C(=O)N(C)C[C@@H](O)CNCc1cc(=O)n2[n-]ccc2n1 ZINC001507501194 1264367517 /nfs/dbraw/zinc/36/75/17/1264367517.db2.gz IZQSUBPTZWEPJY-VHDGCEQUSA-N -1 3 361.446 0.368 10 0 FCAEHM C[C@@H](CNC(=O)c1cnc[n-]c1=O)N(C)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001508929223 1264426899 /nfs/dbraw/zinc/42/68/99/1264426899.db2.gz RNQWEZMAVDOBCZ-QJPTWQEYSA-N -1 3 358.402 0.296 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@H](C)CN(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001510683828 1264508971 /nfs/dbraw/zinc/50/89/71/1264508971.db2.gz FGDYROYQKINVNP-GVUJHPQVSA-N -1 3 362.430 0.882 10 0 FCAEHM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1C1CCOCC1)NC(=O)c1cnc[n-]c1=O ZINC001510687562 1264510212 /nfs/dbraw/zinc/51/02/12/1264510212.db2.gz ZXHDAZLRRMPZLB-FPMFFAJLSA-N -1 3 362.430 0.822 10 0 FCAEHM Cc1cccc([C@@H]2C[C@H]2C(=O)NC[C@H](CO)NC(=O)c2cnc[n-]c2=O)c1 ZINC001510960018 1264522562 /nfs/dbraw/zinc/52/25/62/1264522562.db2.gz SSTLNZYGBBBEPH-QLFBSQMISA-N -1 3 370.409 0.501 10 0 FCAEHM COC[C@H](OC)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC001513210676 1264964075 /nfs/dbraw/zinc/96/40/75/1264964075.db2.gz PGBMUMRORXLYFA-HONMWMINSA-N -1 3 361.402 0.196 10 0 FCAEHM O=C(N[C@@H]1CN(C(=O)C2(CCF)CC2)C[C@@H]1O)c1cccc2n[n-]nc21 ZINC001513519123 1265173738 /nfs/dbraw/zinc/17/37/38/1265173738.db2.gz ZYNVOKJGXXPSSB-OLZOCXBDSA-N -1 3 361.377 0.399 10 0 FCAEHM C[C@@H]1C[C@@]2(CC[C@@H](CNC(=O)C(=O)NCc3ccc([O-])c(F)c3)O2)CO1 ZINC001333057292 1266531020 /nfs/dbraw/zinc/53/10/20/1266531020.db2.gz PZCHTUFVAZKHST-YNKQFZHNSA-N -1 3 366.389 0.990 10 0 FCAEHM Cn1cncc1[C@@H]1C[C@H]1C(=O)NCCNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001522649277 1266569541 /nfs/dbraw/zinc/56/95/41/1266569541.db2.gz KZFSIGUUXNBGMD-VXGBXAGGSA-N -1 3 370.413 0.443 10 0 FCAEHM CC(C)[C@H](NC=O)C(=O)Nc1ncc(S(=O)(=O)[N-]C(C)(C)C)s1 ZINC001532190851 1267160962 /nfs/dbraw/zinc/16/09/62/1267160962.db2.gz DJKWSQGHJCJFNV-JTQLQIEISA-N -1 3 362.477 0.929 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001334782331 1267173503 /nfs/dbraw/zinc/17/35/03/1267173503.db2.gz PEKKUYZTUKPGQU-KVSKUHBBSA-N -1 3 364.146 0.871 10 0 FCAEHM C[C@H]1C[C@H](NC(=O)C(=O)NCc2nc(C(F)(F)F)n[n-]2)CCS1 ZINC001334951954 1267245508 /nfs/dbraw/zinc/24/55/08/1267245508.db2.gz UWCOVWMMQHXTOL-NKWVEPMBSA-N -1 3 351.354 0.840 10 0 FCAEHM CCOC(=O)[C@@H]1CN(C(=O)c2[nH]c(=O)[n-]c(=O)c2N)C[C@H]1C(F)(F)F ZINC001534093316 1267250223 /nfs/dbraw/zinc/25/02/23/1267250223.db2.gz VGXILPHKLBWWAZ-PHDIDXHHSA-N -1 3 364.280 0.284 10 0 FCAEHM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)cc1 ZINC001335028700 1267287379 /nfs/dbraw/zinc/28/73/79/1267287379.db2.gz JBRKPJCDQKDUBI-JKSUJKDBSA-N -1 3 370.409 0.770 10 0 FCAEHM CN1C[C@H](C(=O)Nc2ncc(S(=O)(=O)[N-]C(C)(C)C)s2)CC1=O ZINC001535300230 1267289429 /nfs/dbraw/zinc/28/94/29/1267289429.db2.gz FMDMXDAWMZJLDN-MRVPVSSYSA-N -1 3 360.461 0.637 10 0 FCAEHM COC(=O)N(C)CC(=O)Nc1ncc(S(=O)(=O)[N-]C(C)(C)C)s1 ZINC001535466239 1267294189 /nfs/dbraw/zinc/29/41/89/1267294189.db2.gz STHDWUGNJRXXGU-UHFFFAOYSA-N -1 3 364.449 0.857 10 0 FCAEHM CC[C@@H](O)Cn1cc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)nn1 ZINC001540718761 1267460522 /nfs/dbraw/zinc/46/05/22/1267460522.db2.gz GJRCQIMPZBYLFI-SNVBAGLBSA-N -1 3 353.404 0.673 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC001542268170 1267492847 /nfs/dbraw/zinc/49/28/47/1267492847.db2.gz NDHUEFCKVSWMCE-LBPRGKRZSA-N -1 3 367.427 0.671 10 0 FCAEHM CSc1ncc(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)c(=O)[n-]1 ZINC001543310191 1267540774 /nfs/dbraw/zinc/54/07/74/1267540774.db2.gz QYGGKGKXBWSUAL-GFCCVEGCSA-N -1 3 367.475 0.040 10 0 FCAEHM COC(=O)NCCC(=O)Nc1ncc(S(=O)(=O)[N-]C(C)(C)C)s1 ZINC001544564100 1267585234 /nfs/dbraw/zinc/58/52/34/1267585234.db2.gz NLYNTQGKTYGJLP-UHFFFAOYSA-N -1 3 364.449 0.905 10 0 FCAEHM COC(=O)CC[C@@H]1CC[C@H](C(=O)NCCNC(=O)c2ccc([O-])cc2)O1 ZINC001545667502 1267619266 /nfs/dbraw/zinc/61/92/66/1267619266.db2.gz ZVSMHWNIAKKOFE-LSDHHAIUSA-N -1 3 364.398 0.739 10 0 FCAEHM CCCN(CC(=O)OC)C(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001556230273 1268834830 /nfs/dbraw/zinc/83/48/30/1268834830.db2.gz XCBFZYODEQHTQV-UHFFFAOYSA-N -1 3 363.345 0.899 10 0 FCAEHM CCCN(CC(=O)OC)C(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001556230273 1268834840 /nfs/dbraw/zinc/83/48/40/1268834840.db2.gz XCBFZYODEQHTQV-UHFFFAOYSA-N -1 3 363.345 0.899 10 0 FCAEHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCS(=O)(=O)[C@H]3COCC[C@@H]32)c1 ZINC001556961899 1268910473 /nfs/dbraw/zinc/91/04/73/1268910473.db2.gz MFOIHJRZQYXRRV-ZFWWWQNUSA-N -1 3 368.411 0.379 10 0 FCAEHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)c1cc(N2CCOCC2)ncn1 ZINC001556977525 1268913509 /nfs/dbraw/zinc/91/35/09/1268913509.db2.gz URABOEBNSIMJTR-UHFFFAOYSA-N -1 3 370.348 0.885 10 0 FCAEHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)c1cc(N2CCOCC2)ncn1 ZINC001556977525 1268913513 /nfs/dbraw/zinc/91/35/13/1268913513.db2.gz URABOEBNSIMJTR-UHFFFAOYSA-N -1 3 370.348 0.885 10 0 FCAEHM CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NCCCc1c[n-][nH]c1=O ZINC001557701088 1268967858 /nfs/dbraw/zinc/96/78/58/1268967858.db2.gz GNJRMXRMKMNYNO-MJBXVCDLSA-N -1 3 351.451 0.835 10 0 FCAEHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)CCN1C(=O)[C@@H]3CCCC[C@@H]3C1=O)C2 ZINC001557741290 1268972648 /nfs/dbraw/zinc/97/26/48/1268972648.db2.gz KNZPUGUAXFWWTN-TXEJJXNPSA-N -1 3 358.398 0.898 10 0 FCAEHM O=C([N-]n1ccc(=O)[nH]c1=O)c1cnn2c1N[C@@H](C1CC1)C[C@H]2C(F)F ZINC001557734754 1268973067 /nfs/dbraw/zinc/97/30/67/1268973067.db2.gz OFLHULFORKJEKF-ZJUUUORDSA-N -1 3 366.328 0.930 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)c3ccnc4c3CC(=O)N4)CC2)n1 ZINC001558399177 1269084587 /nfs/dbraw/zinc/08/45/87/1269084587.db2.gz LLOIIMKIGYOJQX-UHFFFAOYSA-N -1 3 354.370 0.343 10 0 FCAEHM O=C(NCc1cc(=O)c(O)co1)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001558678514 1269129691 /nfs/dbraw/zinc/12/96/91/1269129691.db2.gz IHSIOBFHIWELOB-UHFFFAOYSA-N -1 3 373.296 0.463 10 0 FCAEHM O=C(NCc1cc(=O)c(O)co1)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001558678514 1269129696 /nfs/dbraw/zinc/12/96/96/1269129696.db2.gz IHSIOBFHIWELOB-UHFFFAOYSA-N -1 3 373.296 0.463 10 0 FCAEHM Cc1cc(N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)nc(S(C)(=O)=O)n1 ZINC001559297009 1269165814 /nfs/dbraw/zinc/16/58/14/1269165814.db2.gz NOYYEEDZFJNFLY-JTQLQIEISA-N -1 3 350.404 0.375 10 0 FCAEHM CNC(=O)[C@@H]1CCN(Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[n-]2)C1 ZINC001559925876 1269181172 /nfs/dbraw/zinc/18/11/72/1269181172.db2.gz DJGMNCMUOBWFFJ-SECBINFHSA-N -1 3 364.427 0.648 10 0 FCAEHM C[C@H](CC(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1O)C(F)(F)F ZINC001341752888 1269187284 /nfs/dbraw/zinc/18/72/84/1269187284.db2.gz PWXCJUZWONOAKK-SZEHBUNVSA-N -1 3 362.308 0.072 10 0 FCAEHM COC[C@@H](C)C(=O)N[C@@H]1CN(C(=O)CCc2c(C)nc[n-]c2=O)C[C@H]1C ZINC001342048870 1269320072 /nfs/dbraw/zinc/32/00/72/1269320072.db2.gz JLCSDLMATXLJNY-LALPHHSUSA-N -1 3 364.446 0.669 10 0 FCAEHM CC(C)CO[C@H](C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001342346394 1269437207 /nfs/dbraw/zinc/43/72/07/1269437207.db2.gz QMFLAOOBICHFOX-YRGRVCCFSA-N -1 3 350.419 0.820 10 0 FCAEHM CCCN1C[C@@H](CNC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)CC1=O ZINC001564953719 1269446497 /nfs/dbraw/zinc/44/64/97/1269446497.db2.gz PUMTZZOBDIWVME-OLZOCXBDSA-N -1 3 362.434 0.319 10 0 FCAEHM COC(=O)CC(C)(C)CNC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001565360058 1269465984 /nfs/dbraw/zinc/46/59/84/1269465984.db2.gz YZMZUXPSVANVOZ-LLVKDONJSA-N -1 3 351.407 0.649 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC001565612705 1269482494 /nfs/dbraw/zinc/48/24/94/1269482494.db2.gz ZJAKZKNRQXGOGE-NEPJUHHUSA-N -1 3 365.411 0.240 10 0 FCAEHM COc1ccc(Cn2nnc(C(=O)NCCc3c(C)[n-][nH]c3=O)c2C)cc1 ZINC001565612463 1269483251 /nfs/dbraw/zinc/48/32/51/1269483251.db2.gz PUPXEPUXDIQCOE-OAHLLOKOSA-N -1 3 370.413 0.885 10 0 FCAEHM CN1C(=O)CN([N-]C(=O)c2c(Br)nc3n2CCCC3)C1=O ZINC001566469421 1269646344 /nfs/dbraw/zinc/64/63/44/1269646344.db2.gz ASBSCHMKYZEFCC-UHFFFAOYSA-N -1 3 356.180 0.521 10 0 FCAEHM CCCCCC[C@@H](F)C(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1 ZINC001343487829 1269924025 /nfs/dbraw/zinc/92/40/25/1269924025.db2.gz CZMVAJYJWMNVIU-MCIONIFRSA-N -1 3 368.409 0.792 10 0 FCAEHM O=C(CCc1cnccn1)N[C@@H]1CC[C@H](CNC(=O)c2cnc[n-]c2=O)C1 ZINC001344287994 1270132326 /nfs/dbraw/zinc/13/23/26/1270132326.db2.gz ZXVPRERQTCUQKC-QWHCGFSZSA-N -1 3 370.413 0.620 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CC[C@H](CNC(=O)Cc2cnoc2)C1 ZINC001344308606 1270142861 /nfs/dbraw/zinc/14/28/61/1270142861.db2.gz HGPCFUWNPHPEHR-WCQYABFASA-N -1 3 359.386 0.736 10 0 FCAEHM CCNC(=O)CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1cnc[n-]c1=O ZINC001344499928 1270189147 /nfs/dbraw/zinc/18/91/47/1270189147.db2.gz LYKWNNFASXGIOH-NEPJUHHUSA-N -1 3 363.418 0.065 10 0 FCAEHM CCCC[C@@](C)(F)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1O ZINC001572830089 1270211375 /nfs/dbraw/zinc/21/13/75/1270211375.db2.gz OFAWFSQFIRFZQD-XHBSWPGZSA-N -1 3 354.382 0.402 10 0 FCAEHM CO[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1NC(=O)CCc1ccccc1 ZINC001572969311 1270426773 /nfs/dbraw/zinc/42/67/73/1270426773.db2.gz JLNVAEKXKVRUMO-HZPDHXFCSA-N -1 3 370.409 0.771 10 0 FCAEHM C[C@H](CCC(C)(C)C)C(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1 ZINC001573007155 1270490703 /nfs/dbraw/zinc/49/07/03/1270490703.db2.gz JCFZHLRQKZDFEA-BNOWGMLFSA-N -1 3 364.446 0.946 10 0 FCAEHM O=C(Cc1cnn2c1CCCC2)NC[C@H]1CC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC001573181559 1270640590 /nfs/dbraw/zinc/64/05/90/1270640590.db2.gz IIHRTWOSDVMCFU-GXTWGEPZSA-N -1 3 371.445 0.595 10 0 FCAEHM CCO[C@@H]1CN(C(=O)CC)C[C@H]1CNC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC001573208828 1270666120 /nfs/dbraw/zinc/66/61/20/1270666120.db2.gz WKWOBUHWVUQQHL-UKRRQHHQSA-N -1 3 364.446 0.731 10 0 FCAEHM CCC(=O)NCC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)c1cnc[n-]c1=O ZINC001573232914 1270699849 /nfs/dbraw/zinc/69/98/49/1270699849.db2.gz RRFNZFJJMROOJT-NEPJUHHUSA-N -1 3 363.418 0.065 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NCc1nc(CNC(=O)Cc2cnoc2)cc(=O)[n-]1 ZINC001573250031 1270708982 /nfs/dbraw/zinc/70/89/82/1270708982.db2.gz VEQOTVHBDGKWNS-DGCLKSJQSA-N -1 3 359.386 0.691 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)[C@@H](C)NC(C)=O)CCN1C(=O)c1c(C)nc[n-]c1=O ZINC001573258421 1270712199 /nfs/dbraw/zinc/71/21/99/1270712199.db2.gz MGLBVBPWHWLGGL-KGYLQXTDSA-N -1 3 363.418 0.125 10 0 FCAEHM CCOCCC(=O)N1C[C@@H]2CN(C(=O)c3c(C)nc[n-]c3=O)CC[C@@H]2C1 ZINC001573341565 1270753922 /nfs/dbraw/zinc/75/39/22/1270753922.db2.gz BKAMBNYZLNGKCJ-KGLIPLIRSA-N -1 3 362.430 0.838 10 0 FCAEHM COC[C@H](C)CC(=O)N1C[C@@H](CNC(=O)c2c(C)nc[n-]c2=O)[C@H](C)C1 ZINC001573892246 1270921339 /nfs/dbraw/zinc/92/13/39/1270921339.db2.gz WLXXJBSOIZWVSE-YRGRVCCFSA-N -1 3 364.446 0.988 10 0 FCAEHM CCOCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c(C)nc(C)[n-]c1=O)C2 ZINC001574246386 1271117495 /nfs/dbraw/zinc/11/74/95/1271117495.db2.gz MOJCHNLMYZZLDY-SNPRPXQTSA-N -1 3 362.430 0.626 10 0 FCAEHM O=C(CCOCC1CC1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc[n-]c1=O)C2 ZINC001574279244 1271155524 /nfs/dbraw/zinc/15/55/24/1271155524.db2.gz BYDMJEVWHFIPNK-SNPRPXQTSA-N -1 3 360.414 0.861 10 0 FCAEHM Cc1nc(C)c(CC(=O)NCCNC(=O)[C@@H]2C[C@H]2c2ccncc2)c(=O)[n-]1 ZINC001575210471 1271790719 /nfs/dbraw/zinc/79/07/19/1271790719.db2.gz XDUAHZHKONGQIX-JKSUJKDBSA-N -1 3 369.425 0.773 10 0 FCAEHM Cn1[n-]c(CN(CCCNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C2CC2)nc1=O ZINC001713038480 1287260998 /nfs/dbraw/zinc/26/09/98/1287260998.db2.gz DJGBWOLVDVHTER-CHWSQXEVSA-N -1 3 359.434 0.106 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cn(Cc2ccccc2)nn1 ZINC001603292142 1287347745 /nfs/dbraw/zinc/34/77/45/1287347745.db2.gz NCWMJDAULCRKFK-CQSZACIVSA-N -1 3 365.397 0.831 10 0 FCAEHM Cn1[n-]c(CNC[C@H](NC(=O)[C@]23C[C@H]2COC3)C2CCCCC2)nc1=O ZINC001715398315 1287352261 /nfs/dbraw/zinc/35/22/61/1287352261.db2.gz HOOUEVKLRVLHER-DEYYWGMASA-N -1 3 363.462 0.300 10 0 FCAEHM COc1ccc([C@@H]2C[C@H]2C(=O)N[C@@H](C)CNCc2nc(=O)n(C)[n-]2)cc1 ZINC001715999594 1287366830 /nfs/dbraw/zinc/36/68/30/1287366830.db2.gz FEPAMZYDZCWWSN-TUKIKUTGSA-N -1 3 359.430 0.515 10 0 FCAEHM CC(C)[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)NCc1n[nH]c(=O)[n-]1 ZINC001717721984 1287433794 /nfs/dbraw/zinc/43/37/94/1287433794.db2.gz XWENWAGIJDCEBD-BFHYXJOUSA-N -1 3 361.450 0.668 10 0 FCAEHM O=C(Cn1nc2ccccn2c1=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001603629045 1287450513 /nfs/dbraw/zinc/45/05/13/1287450513.db2.gz YZJDIPTZDBUONV-JOCQHMNTSA-N -1 3 368.397 0.834 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N(C)C[C@H](C)NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001718578412 1287522931 /nfs/dbraw/zinc/52/29/31/1287522931.db2.gz SDPMEBFYZIPBNR-GZCFXPHUSA-N -1 3 362.430 0.882 10 0 FCAEHM CC(C)(C)C(=O)N1CCO[C@@H](C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)C1 ZINC001583358616 1282082630 /nfs/dbraw/zinc/08/26/30/1282082630.db2.gz QLIFSIVSPDHKNR-DGCLKSJQSA-N -1 3 350.419 0.705 10 0 FCAEHM Cc1cc(=O)[n-]c(CNC(=O)c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)n1 ZINC001583382927 1282087070 /nfs/dbraw/zinc/08/70/70/1282087070.db2.gz LEBAARZKQXHMER-CYBMUJFWSA-N -1 3 354.366 0.626 10 0 FCAEHM CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001631842828 1282122030 /nfs/dbraw/zinc/12/20/30/1282122030.db2.gz ZMYNDXVXJVEJII-NSHDSACASA-N -1 3 374.488 0.681 10 0 FCAEHM Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)Nc1ccc([O-])cc1Cl ZINC001632723668 1282200965 /nfs/dbraw/zinc/20/09/65/1282200965.db2.gz WSOAKOHTWHKCRD-UHFFFAOYSA-N -1 3 357.775 0.853 10 0 FCAEHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001585169985 1282206866 /nfs/dbraw/zinc/20/68/66/1282206866.db2.gz UCMWPDLJWMLZBN-ZSOGYDGISA-N -1 3 361.427 0.839 10 0 FCAEHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001585169985 1282206873 /nfs/dbraw/zinc/20/68/73/1282206873.db2.gz UCMWPDLJWMLZBN-ZSOGYDGISA-N -1 3 361.427 0.839 10 0 FCAEHM CC(=O)[C@@H]1CC(C(=O)NCCCc2c[n-][nH]c2=O)=NN1c1ccccc1 ZINC001634143101 1282303148 /nfs/dbraw/zinc/30/31/48/1282303148.db2.gz DUMONWHKEQTKDI-CJNGLKHVSA-N -1 3 355.398 0.839 10 0 FCAEHM O=C(CC1CS(=O)(=O)C1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001588155216 1282405380 /nfs/dbraw/zinc/40/53/80/1282405380.db2.gz CGSCSEGKOAWPDA-UHFFFAOYSA-N -1 3 352.412 0.111 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](CC)CNS(C)(=O)=O)c1 ZINC001635827260 1282436067 /nfs/dbraw/zinc/43/60/67/1282436067.db2.gz JEXLMETUQSACIX-SNVBAGLBSA-N -1 3 355.416 0.574 10 0 FCAEHM O=C(c1nc[n-]c(=O)c1Br)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC001635982215 1282449269 /nfs/dbraw/zinc/44/92/69/1282449269.db2.gz RKFMHPWFVWVDFM-DTWKUNHWSA-N -1 3 357.208 0.226 10 0 FCAEHM CCOc1nnc(NC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)[n-]1 ZINC001636063519 1282456711 /nfs/dbraw/zinc/45/67/11/1282456711.db2.gz JHMOPDVPRPGUSP-UHFFFAOYSA-N -1 3 368.394 0.221 10 0 FCAEHM CCOc1nc(NC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)n[n-]1 ZINC001636063519 1282456717 /nfs/dbraw/zinc/45/67/17/1282456717.db2.gz JHMOPDVPRPGUSP-UHFFFAOYSA-N -1 3 368.394 0.221 10 0 FCAEHM CCOc1n[n-]c(NC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)n1 ZINC001636063519 1282456723 /nfs/dbraw/zinc/45/67/23/1282456723.db2.gz JHMOPDVPRPGUSP-UHFFFAOYSA-N -1 3 368.394 0.221 10 0 FCAEHM C[C@H](NC(=O)C1CCC2(CC1)NC(=O)NC2=O)c1nc(C(F)(F)F)n[n-]1 ZINC001636086538 1282458991 /nfs/dbraw/zinc/45/89/91/1282458991.db2.gz ZPZMLVFIEFLXIL-FSGGVFQHSA-N -1 3 374.323 0.769 10 0 FCAEHM CC(=O)NCCNC(=O)CCC(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001636085489 1282459097 /nfs/dbraw/zinc/45/90/97/1282459097.db2.gz JADHCOVPYDABAY-SSDOTTSWSA-N -1 3 364.328 0.033 10 0 FCAEHM C=CC(=O)NCc1ccc(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1 ZINC001636855211 1282542458 /nfs/dbraw/zinc/54/24/58/1282542458.db2.gz LVVOWFJKSMDCLL-OAHLLOKOSA-N -1 3 367.409 0.993 10 0 FCAEHM O=C(NCCCc1cc(=O)[nH][n-]1)[C@@H](O)[C@@](O)(c1ccccc1)C(F)(F)F ZINC001637041733 1282553670 /nfs/dbraw/zinc/55/36/70/1282553670.db2.gz RGTQHKKXAVVBFN-HIFRSBDPSA-N -1 3 373.331 0.570 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](CNS(C)(=O)=O)C2)c1 ZINC001637515663 1282601274 /nfs/dbraw/zinc/60/12/74/1282601274.db2.gz FPNBJHUUJLFCTH-NSHDSACASA-N -1 3 367.427 0.528 10 0 FCAEHM CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C1CCN(CCC(F)(F)F)CC1 ZINC001637890062 1282633786 /nfs/dbraw/zinc/63/37/86/1282633786.db2.gz DGEAHOUMYSXZFB-UHFFFAOYSA-N -1 3 351.329 0.565 10 0 FCAEHM C[C@H]1COCCN1C1CCN(C(=O)CNC(=O)c2ncccc2[O-])CC1 ZINC001637998018 1282650037 /nfs/dbraw/zinc/65/00/37/1282650037.db2.gz BVQOCSPBKZGYFX-ZDUSSCGKSA-N -1 3 362.430 0.229 10 0 FCAEHM Cn1nc(C2CC2)cc1CNC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001638642983 1282711583 /nfs/dbraw/zinc/71/15/83/1282711583.db2.gz KMCMGORRMPOLKQ-GFCCVEGCSA-N -1 3 357.418 0.871 10 0 FCAEHM C[C@](O)(CNC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccccc1 ZINC001638865608 1282728609 /nfs/dbraw/zinc/72/86/09/1282728609.db2.gz VQMSEYNKGZLOQX-KDOFPFPSSA-N -1 3 357.414 0.968 10 0 FCAEHM CC[C@H](NC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)[C@@H](O)C(F)(F)F ZINC001638865060 1282728658 /nfs/dbraw/zinc/72/86/58/1282728658.db2.gz GCCHFLSESWHUPK-HOTUBEGUSA-N -1 3 363.340 0.762 10 0 FCAEHM O=C(NC[C@@H](O)c1ccc(F)cc1)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001638865333 1282728792 /nfs/dbraw/zinc/72/87/92/1282728792.db2.gz NFNRBZYOTQQMJX-ZIAGYGMSSA-N -1 3 361.377 0.933 10 0 FCAEHM CCC(=O)N[C@H](CCSC)C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001640104547 1282839595 /nfs/dbraw/zinc/83/95/95/1282839595.db2.gz GLSXZNZHESPQQB-VXGBXAGGSA-N -1 3 367.475 0.525 10 0 FCAEHM COC(=O)c1ccc(CC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)cn1 ZINC001640110778 1282840850 /nfs/dbraw/zinc/84/08/50/1282840850.db2.gz WGNATWMGQZPVNF-LBPRGKRZSA-N -1 3 357.370 0.301 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)cn1 ZINC001640132838 1282842414 /nfs/dbraw/zinc/84/24/14/1282842414.db2.gz SIODNSDEXCIVCG-ZIAGYGMSSA-N -1 3 368.459 0.124 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)cn1 ZINC001640132835 1282842985 /nfs/dbraw/zinc/84/29/85/1282842985.db2.gz SIODNSDEXCIVCG-KBPBESRZSA-N -1 3 368.459 0.124 10 0 FCAEHM CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)c2ccc(C(C)=O)c([O-])c2)C1 ZINC001640283651 1282850749 /nfs/dbraw/zinc/85/07/49/1282850749.db2.gz HEZKEPONVCNIKP-TZMCWYRMSA-N -1 3 350.371 0.774 10 0 FCAEHM C[C@@H](NC(=O)C1=CS(=O)(=O)CCC1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001640318396 1282854796 /nfs/dbraw/zinc/85/47/96/1282854796.db2.gz ZBTPTKXVFNVLJV-WDEREUQCSA-N -1 3 367.427 0.959 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)N2CCS(=O)(=O)CCO2)c([O-])c1 ZINC001640742928 1282896544 /nfs/dbraw/zinc/89/65/44/1282896544.db2.gz PHUAWPKSYQSGKO-UHFFFAOYSA-N -1 3 356.400 0.009 10 0 FCAEHM O=C(C[C@@H]1C(=O)Nc2ccc(Br)cc21)NN1CC(=O)[N-]C1=O ZINC001641142159 1282927942 /nfs/dbraw/zinc/92/79/42/1282927942.db2.gz QTKPEHBLPRMVQS-QMMMGPOBSA-N -1 3 367.159 0.458 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)[C@H]2CCCN(C(C)(C)C)C2=O)[n-]1 ZINC001641468069 1282953332 /nfs/dbraw/zinc/95/33/32/1282953332.db2.gz PIOQDPOLRXVEET-SNVBAGLBSA-N -1 3 351.407 0.635 10 0 FCAEHM CCn1ncn([N-]C(=O)c2ccc3c(Br)cnn3c2)c1=O ZINC001641712469 1282968370 /nfs/dbraw/zinc/96/83/70/1282968370.db2.gz YCKWTBSNSBWEHZ-UHFFFAOYSA-N -1 3 351.164 0.859 10 0 FCAEHM Cc1nc([C@H]2CCN(C(=O)C[N-]S(=O)(=O)c3c(C)noc3C)C2)no1 ZINC001641855678 1282977400 /nfs/dbraw/zinc/97/74/00/1282977400.db2.gz RWBJJUPCQYSLPI-NSHDSACASA-N -1 3 369.403 0.277 10 0 FCAEHM O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NCCCc1c[n-][nH]c1=O ZINC001642445550 1283010695 /nfs/dbraw/zinc/01/06/95/1283010695.db2.gz LXCUOULLEHMZAB-LLVKDONJSA-N -1 3 361.793 0.622 10 0 FCAEHM CCOC(=O)c1ncc(Br)c(NCCCc2c[n-][nH]c2=O)n1 ZINC001642997210 1283053063 /nfs/dbraw/zinc/05/30/63/1283053063.db2.gz RTSLQJFMWWRTMU-MRVPVSSYSA-N -1 3 370.207 0.762 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@H](CO)CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001680325822 1283416233 /nfs/dbraw/zinc/41/62/33/1283416233.db2.gz JKXYMGHJBLKEQN-QJPTWQEYSA-N -1 3 350.419 0.380 10 0 FCAEHM CC[C@H](C)OCC(=O)N1C[C@@H]2CCN(C(=O)c3c(C)nc[n-]c3=O)[C@@H]2C1 ZINC001682282471 1283554439 /nfs/dbraw/zinc/55/44/39/1283554439.db2.gz XFCLQTBMZOTEPY-FPMFFAJLSA-N -1 3 362.430 0.979 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)CC(C)C)C[C@H]1O ZINC001682606009 1283712393 /nfs/dbraw/zinc/71/23/93/1283712393.db2.gz FWYRDSOSONYECU-CYZMBNFOSA-N -1 3 350.419 0.474 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CN(C(=O)CCC(C)(F)F)C[C@H]1O ZINC001682606596 1283713758 /nfs/dbraw/zinc/71/37/58/1283713758.db2.gz LDVZEZZMGPCKHQ-NXEZZACHSA-N -1 3 358.345 0.228 10 0 FCAEHM CO[C@H](CC(C)C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001682937811 1283807084 /nfs/dbraw/zinc/80/70/84/1283807084.db2.gz GITYEYFUZGBOQM-MRVWCRGKSA-N -1 3 350.419 0.820 10 0 FCAEHM CO[C@H](C)C(=O)N[C@@H]1CC[C@H](CNC(=O)CCc2c(C)nc[n-]c2=O)C1 ZINC001684473446 1284182883 /nfs/dbraw/zinc/18/28/83/1284182883.db2.gz PLFJWZDTBIVQHP-HZSPNIEDSA-N -1 3 364.446 0.859 10 0 FCAEHM C/C=C(/C)C(=O)N[C@@H]1CN(C(=O)c2nnc3ccccc3c2[O-])C[C@@H]1O ZINC001735916233 1289024123 /nfs/dbraw/zinc/02/41/23/1289024123.db2.gz FLKXZBPFQYTKHM-AULQHDNLSA-N -1 3 356.382 0.603 10 0 FCAEHM C[C@@H]1CCN(C(=O)c2cnc[n-]c2=O)[C@H](CNC(=O)Cc2ccon2)C1 ZINC001702590376 1285746637 /nfs/dbraw/zinc/74/66/37/1285746637.db2.gz CRINOSUMXRLWHI-YPMHNXCESA-N -1 3 359.386 0.770 10 0 FCAEHM CCOCCC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)c1cnc[n-]c1=O ZINC001702590846 1285747122 /nfs/dbraw/zinc/74/71/22/1285747122.db2.gz JPHISHZZYWTBOW-OLZOCXBDSA-N -1 3 350.419 0.966 10 0 FCAEHM O=C(Cn1ccnc1)NCc1nc(CNC(=O)[C@]23C[C@H]2CCC3)cc(=O)[n-]1 ZINC001702604244 1285751159 /nfs/dbraw/zinc/75/11/59/1285751159.db2.gz LZZXWQLLOGRFHX-KZULUSFZSA-N -1 3 370.413 0.502 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NCc1nc(CNC(=O)Cc2ncc[nH]2)cc(=O)[n-]1 ZINC001702604423 1285751222 /nfs/dbraw/zinc/75/12/22/1285751222.db2.gz PZIFLCMZJVYMKF-ZYHUDNBSSA-N -1 3 358.402 0.427 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)C(=O)NCC(F)F)CCN1C(=O)c1ccccc1[O-] ZINC001702631362 1285761837 /nfs/dbraw/zinc/76/18/37/1285761837.db2.gz DBCCAUOCUPWAGR-NWDGAFQWSA-N -1 3 369.368 0.883 10 0 FCAEHM CCO[C@H](C(=O)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@H]1C)C1CCOCC1 ZINC001702710149 1285808258 /nfs/dbraw/zinc/80/82/58/1285808258.db2.gz RQLIUXFYWBBUNU-ZLDLUXBVSA-N -1 3 365.434 0.356 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)COc2ccccc2)CCN1C(=O)c1cnc[n-]c1=O ZINC001702737869 1285834061 /nfs/dbraw/zinc/83/40/61/1285834061.db2.gz UEAKTSPSWAJBBX-DOMZBBRYSA-N -1 3 356.382 0.980 10 0 FCAEHM COC[C@H](C)CC(=O)N1C[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@]2(C)C1 ZINC001702769800 1285847650 /nfs/dbraw/zinc/84/76/50/1285847650.db2.gz BVTCQPMTPOVFQP-VFVRVIDISA-N -1 3 362.430 0.775 10 0 FCAEHM C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CCNC(=O)c1ncccc1[O-] ZINC001702836212 1285929185 /nfs/dbraw/zinc/92/91/85/1285929185.db2.gz ZETOMUBHOAOCDX-CHWSQXEVSA-N -1 3 357.414 0.967 10 0 FCAEHM CCOCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O ZINC001703002587 1286047881 /nfs/dbraw/zinc/04/78/81/1286047881.db2.gz YOFKQPWPHSSXPA-BNOWGMLFSA-N -1 3 364.402 0.097 10 0 FCAEHM COC[C@]1(C(=O)Nc2nnc(OC)[n-]2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001596257402 1286292339 /nfs/dbraw/zinc/29/23/39/1286292339.db2.gz YCPVAIKHUSDVGP-HNNXBMFYSA-N -1 3 371.394 0.404 10 0 FCAEHM COC[C@]1(C(=O)Nc2n[n-]c(OC)n2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001596257402 1286292344 /nfs/dbraw/zinc/29/23/44/1286292344.db2.gz YCPVAIKHUSDVGP-HNNXBMFYSA-N -1 3 371.394 0.404 10 0 FCAEHM COC[C@]1(C(=O)Nc2nc(OC)n[n-]2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001596257402 1286292353 /nfs/dbraw/zinc/29/23/53/1286292353.db2.gz YCPVAIKHUSDVGP-HNNXBMFYSA-N -1 3 371.394 0.404 10 0 FCAEHM CCOC(=O)c1cc(NC(=O)c2c[nH]c(CCOCCOC)n2)[n-]n1 ZINC001598369842 1286387994 /nfs/dbraw/zinc/38/79/94/1286387994.db2.gz UBHZEAXAFACZFU-UHFFFAOYSA-N -1 3 351.363 0.767 10 0 FCAEHM CCOC(=O)c1cc(NC(=O)c2c[nH]c(CCOCCOC)n2)n[n-]1 ZINC001598369842 1286388001 /nfs/dbraw/zinc/38/80/01/1286388001.db2.gz UBHZEAXAFACZFU-UHFFFAOYSA-N -1 3 351.363 0.767 10 0 FCAEHM O=C(CN1CCCC2(CC2)S1(=O)=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001598441562 1286392997 /nfs/dbraw/zinc/39/29/97/1286392997.db2.gz BMCIHHKXRJIYHL-UHFFFAOYSA-N -1 3 362.415 0.763 10 0 FCAEHM O=C(CN1CCCC2(CC2)S1(=O)=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001598441562 1286393003 /nfs/dbraw/zinc/39/30/03/1286393003.db2.gz BMCIHHKXRJIYHL-UHFFFAOYSA-N -1 3 362.415 0.763 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1CCOCC1CC1 ZINC001707198001 1286502510 /nfs/dbraw/zinc/50/25/10/1286502510.db2.gz NXKQHQJCZIWJQI-NWDGAFQWSA-N -1 3 351.407 0.292 10 0 FCAEHM C/C=C(/C)C(=O)N[C@@H]1CN(C(=O)Cc2c(C)nc(C)[n-]c2=O)C[C@H]1OC ZINC001719221578 1287890218 /nfs/dbraw/zinc/89/02/18/1287890218.db2.gz KCKPQIIBWYRHLZ-XCTAYMRMSA-N -1 3 362.430 0.650 10 0 FCAEHM CCCC[C@@H](C)C(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@H](OC)C1 ZINC001719233294 1287913866 /nfs/dbraw/zinc/91/38/66/1287913866.db2.gz WLZDVSWTJDCJLR-MRVWCRGKSA-N -1 3 350.419 0.964 10 0 FCAEHM CCC[C@H](CC)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1OC ZINC001719243306 1287936317 /nfs/dbraw/zinc/93/63/17/1287936317.db2.gz NRNZGIBDLZNEOP-IACUBPJLSA-N -1 3 350.419 0.964 10 0 FCAEHM CCO[C@H](C(=O)N1C[C@@H](NC(=O)c2ccccc2[O-])[C@@H](O)C1)C(C)C ZINC001719253453 1287954163 /nfs/dbraw/zinc/95/41/63/1287954163.db2.gz RTCDCMGBISNHKH-KBMXLJTQSA-N -1 3 350.415 0.755 10 0 FCAEHM CCOCCO[C@@H](C)C(=O)N1C[C@@H](NC(=O)c2ccccc2[O-])[C@@H](O)C1 ZINC001719253609 1287954500 /nfs/dbraw/zinc/95/45/00/1287954500.db2.gz YSRDSFKHCDGPJE-BJJXKVORSA-N -1 3 366.414 0.135 10 0 FCAEHM CC/C=C(\C)C(=O)N[C@@H]1CN(C(=O)CCc2c(C)nc[n-]c2=O)C[C@@H]1O ZINC001719256943 1287962397 /nfs/dbraw/zinc/96/23/97/1287962397.db2.gz QAQRFTJTNBGNAT-BKTZVYDRSA-N -1 3 362.430 0.467 10 0 FCAEHM O=C(CCOCC(F)F)N1CC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)[C@@H]2C1 ZINC001719333440 1288098153 /nfs/dbraw/zinc/09/81/53/1288098153.db2.gz WXVPFTXOZUMXOV-ZYHUDNBSSA-N -1 3 370.356 0.527 10 0 FCAEHM CC[C@@H](OC)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001719467049 1288131702 /nfs/dbraw/zinc/13/17/02/1288131702.db2.gz BMXZBZDVFYLRIC-YNEHKIRRSA-N -1 3 350.419 0.930 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2c(C)nc[n-]c2=O)CCN1C(=O)COCCOC ZINC001719555723 1288179538 /nfs/dbraw/zinc/17/95/38/1288179538.db2.gz BIIKJDJIDRATIC-QWHCGFSZSA-N -1 3 366.418 0.263 10 0 FCAEHM CCO[C@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)c2cn[n-]n2)CC1 ZINC001734643010 1288666053 /nfs/dbraw/zinc/66/60/53/1288666053.db2.gz GCRSFNSNRFKKOY-KYOSRNDESA-N -1 3 365.434 0.356 10 0 FCAEHM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)N(C)C(=O)c1cnc[n-]c1=O ZINC001734810903 1288678993 /nfs/dbraw/zinc/67/89/93/1288678993.db2.gz DHVQSNZZWYIGKW-IJLUTSLNSA-N -1 3 358.402 0.296 10 0 FCAEHM CN1C[C@@H](C(=O)Nc2ccc(I)cc2[O-])NC1=O ZINC001611515638 1289655219 /nfs/dbraw/zinc/65/52/19/1289655219.db2.gz JLNRRTRQGCVVLE-QMMMGPOBSA-N -1 3 361.139 0.959 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(C(=O)NCc2nnc([C@H]3CCOC3)[nH]2)cn1 ZINC001611592147 1289659857 /nfs/dbraw/zinc/65/98/57/1289659857.db2.gz CXBPJYADZBNONL-JTQLQIEISA-N -1 3 366.403 0.005 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(C(=O)NCc2nnc([C@@H]3CCOC3)[nH]2)cn1 ZINC001611592148 1289660591 /nfs/dbraw/zinc/66/05/91/1289660591.db2.gz CXBPJYADZBNONL-SNVBAGLBSA-N -1 3 366.403 0.005 10 0 FCAEHM O=C(c1ccc(-c2nc(=O)o[n-]2)cc1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001611685676 1289666430 /nfs/dbraw/zinc/66/64/30/1289666430.db2.gz LZQGTBGPNJUPPN-CABCVRRESA-N -1 3 358.398 0.701 10 0 FCAEHM COC(=O)[C@H]1CN(C(=O)CCc2c(C)nc(C)[n-]c2=O)C[C@H]1C(=O)OC ZINC001611699982 1289668292 /nfs/dbraw/zinc/66/82/92/1289668292.db2.gz MOJXUULTOIUSRQ-BETUJISGSA-N -1 3 365.386 0.152 10 0 FCAEHM C[C@H](CN(C)C(=O)c1cc(=O)[n-]c(C2CC2)n1)NC(=O)[C@]12C[C@H]1COC2 ZINC001701630051 1289674305 /nfs/dbraw/zinc/67/43/05/1289674305.db2.gz LZHCMSNWMMXDHL-MYFIVHGGSA-N -1 3 360.414 0.673 10 0 FCAEHM O=C(N[C@H](CO)CNC(=O)[C@@H]1C[C@H]1C1CC1)c1cc(=O)c2ccccc2[n-]1 ZINC001701688110 1289680785 /nfs/dbraw/zinc/68/07/85/1289680785.db2.gz ITBNFTTWIUEODV-AEGPPILISA-N -1 3 369.421 0.781 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1CC[C@H]2CN(C(=O)CCOC(C)C)C[C@H]21 ZINC001702147083 1289752524 /nfs/dbraw/zinc/75/25/24/1289752524.db2.gz VUMKYGWYOUGJGF-UONOGXRCSA-N -1 3 362.430 0.979 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC001615926112 1289765512 /nfs/dbraw/zinc/76/55/12/1289765512.db2.gz ULILUKKSPAATOV-CABCVRRESA-N -1 3 357.414 0.562 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(F)c(S(=O)(=O)N(C)C)c1 ZINC001615962350 1289766310 /nfs/dbraw/zinc/76/63/10/1289766310.db2.gz AXBHRRLKDSOAMQ-NSHDSACASA-N -1 3 370.406 0.318 10 0 FCAEHM CCN1CCN([C@@H](C)CNC(=O)c2nc[n-]c(=O)c2Br)CC1 ZINC001616218661 1289770842 /nfs/dbraw/zinc/77/08/42/1289770842.db2.gz ROCOSPQEMMISFV-JTQLQIEISA-N -1 3 372.267 0.701 10 0 FCAEHM CC(C)(C)C(=O)NCC(=O)OCCC(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC001616764621 1289792181 /nfs/dbraw/zinc/79/21/81/1289792181.db2.gz HIIRZDBXJJRXDP-UHFFFAOYSA-N -1 3 364.402 0.163 10 0 FCAEHM CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2c(C)nc(C)[n-]c2=O)C1 ZINC001702250809 1289911540 /nfs/dbraw/zinc/91/15/40/1289911540.db2.gz QBDRLSCHPYOXBP-IFUGULHKSA-N -1 3 364.446 0.730 10 0 FCAEHM CCCC[C@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001739455114 1290026073 /nfs/dbraw/zinc/02/60/73/1290026073.db2.gz KMJKBCSOCKBMET-CYZMBNFOSA-N -1 3 350.419 0.618 10 0 FCAEHM O=C(c1ccnc2n[nH]nc21)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001622312598 1290118100 /nfs/dbraw/zinc/11/81/00/1290118100.db2.gz ROMQUXXMDGGDDX-UHFFFAOYSA-N -1 3 352.354 0.657 10 0 FCAEHM Cc1cc(CCC(=O)N[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@H]2C)no1 ZINC001739543899 1290141153 /nfs/dbraw/zinc/14/11/53/1290141153.db2.gz HICQUAHTNOFIOB-QMTHXVAHSA-N -1 3 359.386 0.688 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC2(C)C)C[C@@H]1O ZINC001702369242 1290147864 /nfs/dbraw/zinc/14/78/64/1290147864.db2.gz GENUXFVGTKIBAV-MJBXVCDLSA-N -1 3 362.430 0.157 10 0 FCAEHM O=C(NCCNC(=O)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F)c1ccc([O-])cc1 ZINC001622744069 1290182754 /nfs/dbraw/zinc/18/27/54/1290182754.db2.gz VMXVBTVHRGJCNF-RYUDHWBXSA-N -1 3 373.331 0.553 10 0 FCAEHM CO[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1NC(=O)[C@@H](C)C(F)(F)F ZINC001739586586 1290202142 /nfs/dbraw/zinc/20/21/42/1290202142.db2.gz AFAZRRXOEVOJJX-SZEHBUNVSA-N -1 3 362.308 0.336 10 0 FCAEHM O=C(Cc1[nH]c(O)nc1O)Nc1nc2ncc(Br)cc2[n-]1 ZINC001624793380 1290297055 /nfs/dbraw/zinc/29/70/55/1290297055.db2.gz HGEWLQGYDDOUPY-LURJTMIESA-N -1 3 353.136 0.257 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CN(C(=O)CCC(C)(F)F)C[C@@H]1O ZINC001739670587 1290337097 /nfs/dbraw/zinc/33/70/97/1290337097.db2.gz LDVZEZZMGPCKHQ-ZJUUUORDSA-N -1 3 358.345 0.228 10 0 FCAEHM CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1c(C)[n-][nH]c1=O ZINC001627151999 1290441016 /nfs/dbraw/zinc/44/10/16/1290441016.db2.gz ADXJQXFIHBIHJJ-WDEREUQCSA-N -1 3 370.406 0.071 10 0 FCAEHM CCO[C@@H]1CN(C(C)=O)C[C@H]1CNC(=O)CCc1c(C)nc[n-]c1=O ZINC001739930835 1290441324 /nfs/dbraw/zinc/44/13/24/1290441324.db2.gz WKRQPEQBLRLLCQ-UKRRQHHQSA-N -1 3 350.419 0.423 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC001627153717 1290441772 /nfs/dbraw/zinc/44/17/72/1290441772.db2.gz XUKSCEVJNFVCHM-SJKOYZFVSA-N -1 3 368.434 0.377 10 0 FCAEHM COc1ccc([C@H](CN(C)C)NC(=O)CNC(=O)c2ncccc2[O-])cc1 ZINC001627277815 1290450820 /nfs/dbraw/zinc/45/08/20/1290450820.db2.gz PFFQOEMEYMHITF-HNNXBMFYSA-N -1 3 372.425 0.945 10 0 FCAEHM COC[C@@H](OC)C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1cnc[n-]c1=O ZINC001739973860 1290455391 /nfs/dbraw/zinc/45/53/91/1290455391.db2.gz OIRWWLRMRRHLQU-MBNYWOFBSA-N -1 3 366.418 0.201 10 0 FCAEHM O=C(NCc1nc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc(=O)[n-]1)C(F)F ZINC001739980852 1290457073 /nfs/dbraw/zinc/45/70/73/1290457073.db2.gz QBOAKPOTHJZYIE-DUYQIWHPSA-N -1 3 368.340 0.103 10 0 FCAEHM CC(C)[C@@H](C)C(=O)NCc1nc(CNC(=O)[C@]23C[C@H]2COC3)cc(=O)[n-]1 ZINC001739984082 1290458214 /nfs/dbraw/zinc/45/82/14/1290458214.db2.gz YSCRMEHTHXAIBO-SOZUMNATSA-N -1 3 362.430 0.743 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NCc1cc(=O)[n-]c(CNC(=O)Cc2ncc[nH]2)n1 ZINC001739982987 1290458343 /nfs/dbraw/zinc/45/83/43/1290458343.db2.gz MXNYWSGBPSWYHH-ZYHUDNBSSA-N -1 3 358.402 0.427 10 0 FCAEHM COCCOC1(CNC(=O)Cc2c(C)nc(C)[n-]c2=O)CCOCC1 ZINC001627866061 1290489611 /nfs/dbraw/zinc/48/96/11/1290489611.db2.gz XCWXQDFRYLWWPO-UHFFFAOYSA-N -1 3 353.419 0.670 10 0 FCAEHM CN(C)S(=O)(=O)c1cc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)co1 ZINC001628245489 1290518903 /nfs/dbraw/zinc/51/89/03/1290518903.db2.gz LOGRCZHIBNOGPZ-SECBINFHSA-N -1 3 354.388 0.588 10 0 FCAEHM C[C@@H]1NC(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)=NN(c2ccccc2)C1=O ZINC001628255684 1290520261 /nfs/dbraw/zinc/52/02/61/1290520261.db2.gz XYZATXQWEZOWIE-VIFPVBQESA-N -1 3 372.410 0.426 10 0 FCAEHM Cc1nc(CS(C)(=O)=O)sc1CC(=O)NCCc1c(C)[n-][nH]c1=O ZINC001628274627 1290522967 /nfs/dbraw/zinc/52/29/67/1290522967.db2.gz NWWGOPUSZIWSBW-SNVBAGLBSA-N -1 3 372.472 0.167 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCCC(=O)N2CCN(C)CC2)c1 ZINC001628312215 1290525986 /nfs/dbraw/zinc/52/59/86/1290525986.db2.gz DPRRZZVYUJLSTA-UHFFFAOYSA-N -1 3 360.414 0.411 10 0 FCAEHM C[C@H]1C(=O)N([N-]C(=O)c2cccc(S(=O)(=O)C(F)F)c2)C(=O)N1C ZINC001629885062 1290631335 /nfs/dbraw/zinc/63/13/35/1290631335.db2.gz MTDUTXIGKJELBO-ZETCQYMHSA-N -1 3 361.326 0.610 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CC3(C2)CNC(=O)O3)c(Cl)c1 ZINC001630415245 1290667656 /nfs/dbraw/zinc/66/76/56/1290667656.db2.gz NFLRMGIGOBYXEG-UHFFFAOYSA-N -1 3 359.791 0.646 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)C1CCN(C(=O)c2cccnc2)CC1 ZINC001630631888 1290682604 /nfs/dbraw/zinc/68/26/04/1290682604.db2.gz NUWQCPAAULWXFT-CQSZACIVSA-N -1 3 357.414 0.562 10 0 FCAEHM COc1ccc([C@H](CC(=O)NCCCc2c[n-][nH]c2=O)NC(C)=O)cc1 ZINC001630631287 1290683212 /nfs/dbraw/zinc/68/32/12/1290683212.db2.gz HFKOAEIVWZCYON-HOCLYGCPSA-N -1 3 360.414 0.891 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Cn2nc(C)oc2=O)cc1OC ZINC001630664003 1290686128 /nfs/dbraw/zinc/68/61/28/1290686128.db2.gz JVDILLLKDRGLDS-UHFFFAOYSA-N -1 3 370.387 0.554 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC3(C2)CNC(=O)O3)ccc1F ZINC001643188881 1290855680 /nfs/dbraw/zinc/85/56/80/1290855680.db2.gz ZPXIMMSHEJUBQT-UHFFFAOYSA-N -1 3 371.390 0.447 10 0 FCAEHM C[C@@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)N1CCC(Cc2nnn[n-]2)CC1 ZINC001643900337 1290924437 /nfs/dbraw/zinc/92/44/37/1290924437.db2.gz YJIXEFMUTNJIHR-IAQYHMDHSA-N -1 3 364.450 0.037 10 0 FCAEHM C[C@@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)N1CCC(Cc2nn[n-]n2)CC1 ZINC001643900337 1290924443 /nfs/dbraw/zinc/92/44/43/1290924443.db2.gz YJIXEFMUTNJIHR-IAQYHMDHSA-N -1 3 364.450 0.037 10 0 FCAEHM CCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)C1 ZINC001644268943 1290951682 /nfs/dbraw/zinc/95/16/82/1290951682.db2.gz RVNIDTOOHNJPFM-SECBINFHSA-N -1 3 360.461 0.149 10 0 FCAEHM Cc1ccc(CNC(=O)NCC(=O)NCc2cc(=O)[n-]c(=S)[nH]2)cc1 ZINC001644268991 1290952265 /nfs/dbraw/zinc/95/22/65/1290952265.db2.gz SSWGVDQVXQSTBY-UHFFFAOYSA-N -1 3 361.427 0.895 10 0 FCAEHM CN(C)CCn1c2cc(C(=O)NC3(c4nnn[n-]4)CCC3)ccc2[nH]c1=O ZINC001644748591 1290981817 /nfs/dbraw/zinc/98/18/17/1290981817.db2.gz PICFVWYBWRMBBB-UHFFFAOYSA-N -1 3 370.417 0.626 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)c3ccc(-n4cncn4)nc3)CC2)n1 ZINC001644863630 1290990211 /nfs/dbraw/zinc/99/02/11/1290990211.db2.gz PWDAUCDBNWDZBD-UHFFFAOYSA-N -1 3 366.385 0.429 10 0 FCAEHM CCn1cc(C(=O)C(=O)NC2CCN(c3nc(C)cc(=O)[n-]3)CC2)cn1 ZINC001645231644 1291010539 /nfs/dbraw/zinc/01/05/39/1291010539.db2.gz WJOZXQXNEXKTBB-UHFFFAOYSA-N -1 3 358.402 0.675 10 0 FCAEHM CN=[S@@](C)(=O)CCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC001647767982 1291072799 /nfs/dbraw/zinc/07/27/99/1291072799.db2.gz SXNAIGBGRAXSSZ-NRFANRHFSA-N -1 3 351.425 0.191 10 0 FCAEHM O=C(C=CC(=O)Nc1ccc2n[nH]cc2c1)NCCCc1c[n-][nH]c1=O ZINC001647858816 1291079066 /nfs/dbraw/zinc/07/90/66/1291079066.db2.gz KVXHULVZRLWXRX-MVIFTORASA-N -1 3 354.370 0.686 10 0 FCAEHM O=C(CCNC(=O)c1cc2ccccc2[nH]1)NCCCc1c[n-][nH]c1=O ZINC001647858756 1291079680 /nfs/dbraw/zinc/07/96/80/1291079680.db2.gz KACBPWJZYGBBCI-CYBMUJFWSA-N -1 3 355.398 0.916 10 0 FCAEHM COc1ccc(C(=O)[N-]C(=O)CN2CCC(O)(c3nccn3C)CC2)cc1 ZINC001648212366 1291111255 /nfs/dbraw/zinc/11/12/55/1291111255.db2.gz MSIBETIQVKEZKZ-UHFFFAOYSA-N -1 3 372.425 0.669 10 0 FCAEHM COCCN1C[C@H](C(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)CC1=O ZINC001648505406 1291126891 /nfs/dbraw/zinc/12/68/91/1291126891.db2.gz ZLGCILZMKTXABQ-MGPQQGTHSA-N -1 3 362.430 0.820 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)CCc3c(C)nc(C)[nH]c3=O)CC2)n1 ZINC001649061706 1291144168 /nfs/dbraw/zinc/14/41/68/1291144168.db2.gz VBPRTSMPIDOJEP-UHFFFAOYSA-N -1 3 372.429 0.884 10 0 FCAEHM CNC(=O)NC[C@H]1COCCN1C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC001650773244 1291179195 /nfs/dbraw/zinc/17/91/95/1291179195.db2.gz CYAUWBMLEJLXIR-NSHDSACASA-N -1 3 353.375 0.179 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)C2CCC(OCCOC)CC2)[n-]1 ZINC001650944424 1291189270 /nfs/dbraw/zinc/18/92/70/1291189270.db2.gz XIDZHCVXXSEGSC-UHFFFAOYSA-N -1 3 354.407 0.819 10 0 FCAEHM O=C(Cn1cc(I)c(=O)[n-]c1=O)c1cscn1 ZINC001651985997 1291254414 /nfs/dbraw/zinc/25/44/14/1291254414.db2.gz AXDHQPYZQMSDKT-UHFFFAOYSA-N -1 3 363.136 0.893 10 0 FCAEHM Cn1ccc(C(=O)Cn2cc(I)c(=O)[n-]c2=O)c1 ZINC001651986268 1291254744 /nfs/dbraw/zinc/25/47/44/1291254744.db2.gz NJPVRRVXEWMFLZ-UHFFFAOYSA-N -1 3 359.123 0.775 10 0 FCAEHM COC(=O)c1cc(NC(=O)C2=C(C)OCCS2(=O)=O)c([O-])c(OC)c1 ZINC001653220829 1291328143 /nfs/dbraw/zinc/32/81/43/1291328143.db2.gz UILZQQPTOCINJX-UHFFFAOYSA-N -1 3 371.367 0.802 10 0 FCAEHM C[C@@]1(C(=O)NN2CC(=O)[N-]C2=O)CC(c2cccc(Cl)c2F)=NO1 ZINC001654198327 1291398654 /nfs/dbraw/zinc/39/86/54/1291398654.db2.gz ZTJOXIBVHDQKRK-AWEZNQCLSA-N -1 3 354.725 0.945 10 0 FCAEHM CSC[C@H](C)C(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]2C1 ZINC001656800745 1291563260 /nfs/dbraw/zinc/56/32/60/1291563260.db2.gz HPCGUWBJKYVLJO-XQQFMLRXSA-N -1 3 353.492 0.388 10 0 FCAEHM C[C@@H](CNC(=O)[C@@H]1CCO[C@H]1C1CC1)NCc1cc(=O)n2[n-]ccc2n1 ZINC001662288483 1291719321 /nfs/dbraw/zinc/71/93/21/1291719321.db2.gz PFJFJDMSHJNQSU-KHIZAZIESA-N -1 3 359.430 0.432 10 0 FCAEHM O=C(NC[C@H](O)CNCc1cc(=O)n2[n-]ccc2n1)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001667864837 1291947628 /nfs/dbraw/zinc/94/76/28/1291947628.db2.gz GKSCFFZGSJHFQK-DRPJVOAASA-N -1 3 373.457 0.416 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)CCCN(C)C(C)=O ZINC001684953988 1292381594 /nfs/dbraw/zinc/38/15/94/1292381594.db2.gz RYNSEHFIVJKBGZ-GXTWGEPZSA-N -1 3 350.423 0.173 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)CCc2nccs2)CCN1C(=O)c1cnc[n-]c1=O ZINC001685245190 1292468098 /nfs/dbraw/zinc/46/80/98/1292468098.db2.gz QPKBBGTWBWFIEW-PWSUYJOCSA-N -1 3 361.427 0.991 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CCCCCNC(=O)CC1 ZINC001685575618 1292562434 /nfs/dbraw/zinc/56/24/34/1292562434.db2.gz XUMKEHMCTJPVBD-ZDUSSCGKSA-N -1 3 362.434 0.463 10 0 FCAEHM CCN(CC)CC(=O)N1C[C@@H](CNC(=O)c2[nH]nc(C)c2[O-])[C@H](C)C1 ZINC001685639419 1292578727 /nfs/dbraw/zinc/57/87/27/1292578727.db2.gz AXIAIFMRYNVEEO-DGCLKSJQSA-N -1 3 351.451 0.590 10 0 FCAEHM CC(C)OC[C@@H](CO)N(C)C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001685644693 1292580775 /nfs/dbraw/zinc/58/07/75/1292580775.db2.gz GNQCNONMURUMKR-CHWSQXEVSA-N -1 3 353.423 0.188 10 0 FCAEHM O=C(CNC(=O)c1cccs1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn[n-]n1)C2 ZINC001686047412 1292745617 /nfs/dbraw/zinc/74/56/17/1292745617.db2.gz QZSNRKHADLCAEJ-SCVCMEIPSA-N -1 3 374.426 0.158 10 0 FCAEHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn[n-]n1)C2 ZINC001686203966 1292821582 /nfs/dbraw/zinc/82/15/82/1292821582.db2.gz PHTRBTZLXJWWEV-UZWSLXQKSA-N -1 3 362.434 0.217 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N[C@@H]1CCOC12CCOCC2 ZINC001687789834 1293012787 /nfs/dbraw/zinc/01/27/87/1293012787.db2.gz MUSZVRAPWULBGA-CHWSQXEVSA-N -1 3 363.418 0.398 10 0 FCAEHM COCCS(=O)(=O)CC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000751373972 836483379 /nfs/dbraw/zinc/48/33/79/836483379.db2.gz RURFMQGSLWYBBM-UHFFFAOYSA-N -1 3 365.411 0.745 10 0 FCAEHM O=C(N[C@H]1CCCNC1=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000751404489 836485284 /nfs/dbraw/zinc/48/52/84/836485284.db2.gz GPDDAJRSPZGGKV-LBPRGKRZSA-N -1 3 355.391 0.275 10 0 FCAEHM C[C@]1(C(F)F)CN(C(=O)C(=O)NCc2nc(C(F)(F)F)n[n-]2)CCO1 ZINC001118711598 847549917 /nfs/dbraw/zinc/54/99/17/847549917.db2.gz SQSHEJWUTZYDIH-LLVKDONJSA-N -1 3 371.266 0.322 10 0 FCAEHM CCO[C@@H](CS(=O)(=O)[N-]N=c1[nH]c2c(cnn2C)c(=O)[nH]1)C1CC1 ZINC001118895225 847625358 /nfs/dbraw/zinc/62/53/58/847625358.db2.gz LQTZNJAVWXPLFX-JTQLQIEISA-N -1 3 356.408 0.130 10 0 FCAEHM CO[C@@H](Cc1ccccc1)CS(=O)(=O)NC1CCN(CC(=O)[O-])CC1 ZINC001118920755 847635739 /nfs/dbraw/zinc/63/57/39/847635739.db2.gz VJBWXYGHDODXIJ-INIZCTEOSA-N -1 3 370.471 0.713 10 0 FCAEHM CS(=O)(=O)NCCNCc1ccc(C(=O)[O-])c(Br)c1 ZINC001119540113 847880146 /nfs/dbraw/zinc/88/01/46/847880146.db2.gz ZECYWPILMYDNGG-UHFFFAOYSA-N -1 3 351.222 0.786 10 0 FCAEHM CO[C@H](C(=O)[O-])C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC001119602492 847907290 /nfs/dbraw/zinc/90/72/90/847907290.db2.gz OXRZQDPAWUYQIJ-HNNXBMFYSA-N -1 3 354.378 0.885 10 0 FCAEHM C[C@@H]1CN(c2nnc(-c3nnc(Cl)[n-]3)n2C[C@H]2CCOC2)CCO1 ZINC001123235346 848579771 /nfs/dbraw/zinc/57/97/71/848579771.db2.gz GJXPZEWVYDBEFG-NXEZZACHSA-N -1 3 353.814 0.978 10 0 FCAEHM C[C@@H]1CN(c2nnc(-c3n[n-]c(Cl)n3)n2C[C@H]2CCOC2)CCO1 ZINC001123235346 848579779 /nfs/dbraw/zinc/57/97/79/848579779.db2.gz GJXPZEWVYDBEFG-NXEZZACHSA-N -1 3 353.814 0.978 10 0 FCAEHM FCC[C@H]1CN(c2nnc(CCc3nnn[n-]3)n2CC2CC2)CCO1 ZINC001123407632 848590984 /nfs/dbraw/zinc/59/09/84/848590984.db2.gz PYDWSJHCQDREAY-LBPRGKRZSA-N -1 3 350.402 0.551 10 0 FCAEHM FCC[C@H]1CN(c2nnc(CCc3nn[n-]n3)n2CC2CC2)CCO1 ZINC001123407632 848590992 /nfs/dbraw/zinc/59/09/92/848590992.db2.gz PYDWSJHCQDREAY-LBPRGKRZSA-N -1 3 350.402 0.551 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1F ZINC001136653654 849232568 /nfs/dbraw/zinc/23/25/68/849232568.db2.gz CGBZRAHWJUCRHH-NSHDSACASA-N -1 3 370.406 0.318 10 0 FCAEHM CN(C)Cc1ccc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])cn1 ZINC001137775137 849284092 /nfs/dbraw/zinc/28/40/92/849284092.db2.gz REUCXESHLZSFOJ-UHFFFAOYSA-N -1 3 350.400 0.749 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NC2(CO)COC(C)(C)OC2)c1 ZINC001139585581 849341915 /nfs/dbraw/zinc/34/19/15/849341915.db2.gz SIMNHWOPQQXKQM-UHFFFAOYSA-N -1 3 350.371 0.761 10 0 FCAEHM C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001144503218 849524026 /nfs/dbraw/zinc/52/40/26/849524026.db2.gz TZDOFAAFADBETE-ZJUUUORDSA-N -1 3 370.456 0.860 10 0 FCAEHM C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001144527279 849525036 /nfs/dbraw/zinc/52/50/36/849525036.db2.gz DKHTWESWMOUAPC-UFBFGSQYSA-N -1 3 354.432 0.143 10 0 FCAEHM CS(=O)(=O)c1cc(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)c(Cl)cn1 ZINC001144527130 849525294 /nfs/dbraw/zinc/52/52/94/849525294.db2.gz ANWVUKVOVREPLG-UHFFFAOYSA-N -1 3 374.831 0.853 10 0 FCAEHM CC(C)[C@@H](C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1)N1CCCS1(=O)=O ZINC001164320395 850406501 /nfs/dbraw/zinc/40/65/01/850406501.db2.gz BHYZSNKPVPNUPB-FZMZJTMJSA-N -1 3 356.448 0.491 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](O)CC3(CCOCC3)C2)c(C)o1 ZINC001175501543 850766183 /nfs/dbraw/zinc/76/61/83/850766183.db2.gz SLTGIDTYMROZKY-LBPRGKRZSA-N -1 3 372.443 0.500 10 0 FCAEHM CS(=O)(=O)c1cccc(OCCN2CCC(Cc3nnn[n-]3)CC2)c1 ZINC001175839979 850775627 /nfs/dbraw/zinc/77/56/27/850775627.db2.gz ZBCDEADEXKFGNS-UHFFFAOYSA-N -1 3 365.459 0.937 10 0 FCAEHM CS(=O)(=O)c1cccc(OCCN2CCC(Cc3nn[n-]n3)CC2)c1 ZINC001175839979 850775632 /nfs/dbraw/zinc/77/56/32/850775632.db2.gz ZBCDEADEXKFGNS-UHFFFAOYSA-N -1 3 365.459 0.937 10 0 FCAEHM C[C@H](NC(=O)Cn1nc2n(c1=O)CCCC2)c1nc(C(F)(F)F)n[n-]1 ZINC001179182135 850960392 /nfs/dbraw/zinc/96/03/92/850960392.db2.gz BKXRZWURHPBAGE-ZETCQYMHSA-N -1 3 359.312 0.395 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cnc(C(F)(F)F)nc1 ZINC001180027263 851009724 /nfs/dbraw/zinc/00/97/24/851009724.db2.gz HZXVDKANFCJASU-SECBINFHSA-N -1 3 354.292 1.000 10 0 FCAEHM NC(=O)c1cnc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC001253471165 857890883 /nfs/dbraw/zinc/89/08/83/857890883.db2.gz OEZSSKUCAZIYHM-UHFFFAOYSA-N -1 3 357.761 0.944 10 0 FCAEHM NC(=O)c1cnc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC001253471165 857890887 /nfs/dbraw/zinc/89/08/87/857890887.db2.gz OEZSSKUCAZIYHM-UHFFFAOYSA-N -1 3 357.761 0.944 10 0 FCAEHM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N[C@H](CO)CC(F)(F)F ZINC001254489366 857974991 /nfs/dbraw/zinc/97/49/91/857974991.db2.gz RJZOICJOTHXNQL-ZETCQYMHSA-N -1 3 350.297 0.367 10 0 FCAEHM C[C@@H](CC(=O)N1C[C@H](O)C2(CC2)C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC001255296503 858007119 /nfs/dbraw/zinc/00/71/19/858007119.db2.gz NCQNFPADTCOHTG-JQWIXIFHSA-N -1 3 373.862 0.775 10 0 FCAEHM COC(=O)C1([N-]C(=O)C(F)(F)C2CCOCC2)CCS(=O)(=O)CC1 ZINC001256604781 858091354 /nfs/dbraw/zinc/09/13/54/858091354.db2.gz STMHAUAUBWVPJT-UHFFFAOYSA-N -1 3 369.386 0.285 10 0 FCAEHM Cc1ccncc1CCNC(=O)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC001261714934 858643272 /nfs/dbraw/zinc/64/32/72/858643272.db2.gz WERFUGZSAIVYDJ-UHFFFAOYSA-N -1 3 356.308 0.502 10 0 FCAEHM CCCN(C(=O)NC[C@H]1CCN1C1CCOCC1)[C@H](COC)C(=O)[O-] ZINC001262210233 858820171 /nfs/dbraw/zinc/82/01/71/858820171.db2.gz QQJHLQFZHUYMSO-HUUCEWRRSA-N -1 3 357.451 0.761 10 0 FCAEHM CO[C@H](C(=O)N[C@H]1CCCN(c2nc(C)cc(=O)[n-]2)C1)[C@H]1CCOC1 ZINC001263911693 859237463 /nfs/dbraw/zinc/23/74/63/859237463.db2.gz PZQDFOULDDAIPB-YDHLFZDLSA-N -1 3 350.419 0.627 10 0 FCAEHM C[C@@H](CC(C)(C)C)C(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1 ZINC001281901183 863916577 /nfs/dbraw/zinc/91/65/77/863916577.db2.gz VQGKMSYPGVKMQM-UHTWSYAYSA-N -1 3 350.419 0.556 10 0 FCAEHM O=C(Cc1cncs1)NC[C@H]1CC[C@@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001282128909 864072458 /nfs/dbraw/zinc/07/24/58/864072458.db2.gz FUNZXKIRXFSQLC-WDEREUQCSA-N -1 3 361.427 0.896 10 0 FCAEHM CCNC(=O)CCCC(=O)NC[C@H]1CC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC001282138980 864080271 /nfs/dbraw/zinc/08/02/71/864080271.db2.gz BZBABJCEDLAWAA-NWDGAFQWSA-N -1 3 350.423 0.126 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)COCC(F)F)CCN1C(=O)c1cnc[n-]c1=O ZINC001282266469 864153249 /nfs/dbraw/zinc/15/32/49/864153249.db2.gz NEEMUWRTDLZTQA-WDEREUQCSA-N -1 3 358.345 0.573 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1CNC(=O)CCS(C)(=O)=O ZINC001282492940 864302922 /nfs/dbraw/zinc/30/29/22/864302922.db2.gz VIDOVUWUSLPFOA-CHWSQXEVSA-N -1 3 368.455 0.651 10 0 FCAEHM CC(C)[C@@H](O)C(=O)NCC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001282535361 864333694 /nfs/dbraw/zinc/33/36/94/864333694.db2.gz OQQQNPWEVOOIBP-YRGRVCCFSA-N -1 3 350.419 0.414 10 0 FCAEHM O=C(COCC(F)F)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc[n-]c1=O)C2 ZINC001282752960 864428454 /nfs/dbraw/zinc/42/84/54/864428454.db2.gz IDVVHMIZKFDADB-IEBDPFPHSA-N -1 3 356.329 0.326 10 0 FCAEHM C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H](NC(=O)c1cn[n-]n1)C1CCCC1 ZINC001286062944 864671095 /nfs/dbraw/zinc/67/10/95/864671095.db2.gz NDOZADAOLAMZSN-JKOKRWQUSA-N -1 3 351.407 0.013 10 0 FCAEHM CO[C@@H]1CN(C(=O)CCC(F)(F)F)C[C@H]1NC(=O)c1cnc[n-]c1=O ZINC001289500699 865102314 /nfs/dbraw/zinc/10/23/14/865102314.db2.gz HXEZHOUYBJWANA-NXEZZACHSA-N -1 3 362.308 0.480 10 0 FCAEHM CCC(C)(CC)C(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@@H]1O ZINC001289636195 865187228 /nfs/dbraw/zinc/18/72/28/865187228.db2.gz BZPXOADIQURROE-NEPJUHHUSA-N -1 3 350.419 0.618 10 0 FCAEHM CC(F)(F)C(C)(C)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@@H]1O ZINC001289697994 865233168 /nfs/dbraw/zinc/23/31/68/865233168.db2.gz YHNSNESBMRMAOV-ZJUUUORDSA-N -1 3 358.345 0.165 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)C[C@@H](C)COC)CCN1C(=O)c1cnc[n-]c1=O ZINC001290472061 865426924 /nfs/dbraw/zinc/42/69/24/865426924.db2.gz ZDDMINFAOVZTEK-KWCYVHTRSA-N -1 3 350.419 0.964 10 0 FCAEHM CCC[C@H](OC)C(=O)N1C[C@@H](CNC(=O)c2cnc[n-]c2=O)[C@H](C)C1 ZINC001290934670 865562653 /nfs/dbraw/zinc/56/26/53/865562653.db2.gz NXGWRWFCYXPINU-BZPMIXESSA-N -1 3 350.419 0.822 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F ZINC001292969939 865765366 /nfs/dbraw/zinc/76/53/66/865765366.db2.gz QYANIDSRFFNQKO-UWVGGRQHSA-N -1 3 364.324 0.778 10 0 FCAEHM CC[C@H](CNC(=O)c1c(C)nc[n-]c1=O)NC(=O)[C@@H]1CCO[C@H]1CC ZINC001297469159 866033665 /nfs/dbraw/zinc/03/36/65/866033665.db2.gz ABPJOPHPGURIEA-UPJWGTAASA-N -1 3 350.419 0.930 10 0 FCAEHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)c1ccc2c(c1)NC(=O)CNC2=O ZINC001300198213 866215724 /nfs/dbraw/zinc/21/57/24/866215724.db2.gz WSKBYNBFTMZFKX-UHFFFAOYSA-N -1 3 359.367 0.083 10 0 FCAEHM C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCCCc1c[n-][nH]c1=O ZINC001301560177 866269558 /nfs/dbraw/zinc/26/95/58/866269558.db2.gz AEFJKJFTABYMPJ-QWRGUYRKSA-N -1 3 370.406 0.121 10 0 FCAEHM CN(CC(=O)NCc1cc(=O)[n-]c(C2CCC2)n1)[C@@H]1CCS(=O)(=O)C1 ZINC001301753090 866288099 /nfs/dbraw/zinc/28/80/99/866288099.db2.gz AOWSZKAMTBHSQO-CYBMUJFWSA-N -1 3 368.459 0.185 10 0 FCAEHM CCN1CCN(C2CN(C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)C2)CC1 ZINC001350717719 866667565 /nfs/dbraw/zinc/66/75/65/866667565.db2.gz RCOFXYLFIRHQLJ-ZDUSSCGKSA-N -1 3 364.412 0.538 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]Cc1nc2c(s1)COCC2)[C@H]1CCOC1 ZINC001350889292 866721960 /nfs/dbraw/zinc/72/19/60/866721960.db2.gz IJJPVKKYPOBBCO-JQWIXIFHSA-N -1 3 362.473 0.687 10 0 FCAEHM Cn1nc(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1C(F)(F)F ZINC001353172962 867368001 /nfs/dbraw/zinc/36/80/01/867368001.db2.gz FLGYKDKRLLHRTQ-QMMMGPOBSA-N -1 3 356.308 0.943 10 0 FCAEHM CCOC(=O)[C@@H]([N-]S(=O)(=O)C1CN(C(=O)c2ccccc2)C1)C1CC1 ZINC001319926408 868034322 /nfs/dbraw/zinc/03/43/22/868034322.db2.gz BZPMNYZNAKXEGJ-HNNXBMFYSA-N -1 3 366.439 0.772 10 0 FCAEHM CC(C)C[C@H](CO)N(C)C(=O)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC001325738749 870011992 /nfs/dbraw/zinc/01/19/92/870011992.db2.gz OPYPNIDPGICAIA-MRVPVSSYSA-N -1 3 351.329 0.305 10 0 FCAEHM CCOC(=O)CC[C@@H](C)NC(=O)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC001327008299 870613282 /nfs/dbraw/zinc/61/32/82/870613282.db2.gz MSDRSEMDRDGIPD-SSDOTTSWSA-N -1 3 365.312 0.288 10 0 FCAEHM COCCC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)c1c(C)nc[n-]c1=O ZINC001344566020 870935014 /nfs/dbraw/zinc/93/50/14/870935014.db2.gz RUQVLHVUJNYOMY-YPMHNXCESA-N -1 3 350.419 0.884 10 0 FCAEHM O=C([O-])CCC1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC001327828309 871102292 /nfs/dbraw/zinc/10/22/92/871102292.db2.gz FBXLCLYEAUROIC-OAHLLOKOSA-N -1 3 351.447 0.690 10 0 FCAEHM CCS(=O)(=O)NCC(=O)N1CC[C@H](NC(=O)c2ccccc2[O-])[C@H]1C ZINC001345254375 871249757 /nfs/dbraw/zinc/24/97/57/871249757.db2.gz QVCXTLFHQVXKQB-YPMHNXCESA-N -1 3 369.443 0.051 10 0 FCAEHM C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)NCc1ccc([O-])c(Br)c1 ZINC001328316758 871357879 /nfs/dbraw/zinc/35/78/79/871357879.db2.gz LHJFFQLKOLIXIP-MRVPVSSYSA-N -1 3 370.203 0.418 10 0 FCAEHM CN1CCC2(CC1)CN(S(=O)(=O)c1cccc(C(=O)[O-])c1)CCO2 ZINC001346001837 871598619 /nfs/dbraw/zinc/59/86/19/871598619.db2.gz JYBMEATWKOFBTG-UHFFFAOYSA-N -1 3 354.428 0.870 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CNC(=O)Cc1cscn1 ZINC001346089914 871640691 /nfs/dbraw/zinc/64/06/91/871640691.db2.gz XQCATZOJTYSCGN-GHMZBOCLSA-N -1 3 361.427 0.706 10 0 FCAEHM CC1(C)[C@H](CNC(=O)C(=O)NCc2nc(C(F)(F)F)n[n-]2)C1(F)F ZINC001347616848 872420775 /nfs/dbraw/zinc/42/07/75/872420775.db2.gz VDWSYSOCZCFYKC-YFKPBYRVSA-N -1 3 355.267 0.847 10 0 FCAEHM CC(C)(C)n1nnc(C(=O)[N-]c2nc3c(s2)CS(=O)(=O)CC3)n1 ZINC001347797091 872497684 /nfs/dbraw/zinc/49/76/84/872497684.db2.gz RCGPKCVXUGNJJR-UHFFFAOYSA-N -1 3 356.433 0.608 10 0 FCAEHM C[C@]1(C2CC2)CN(C(=O)C(=O)NCc2nc(C(F)(F)F)n[n-]2)CCO1 ZINC001331023724 872918217 /nfs/dbraw/zinc/91/82/17/872918217.db2.gz SDLOLTORZLNTKC-CYBMUJFWSA-N -1 3 361.324 0.467 10 0 FCAEHM COC(=O)C[C@H](CNC(=O)C(=O)NCc1ccc([O-])c(F)c1)C1CC1 ZINC001331088004 872953434 /nfs/dbraw/zinc/95/34/34/872953434.db2.gz ALRZWJISEHYGCS-GFCCVEGCSA-N -1 3 352.362 0.853 10 0 FCAEHM CC(C)(C)OC(=O)N1CCN(C(=O)CN2CC(=O)[N-]C2=O)C[C@@](C)(F)C1 ZINC000295386489 214294982 /nfs/dbraw/zinc/29/49/82/214294982.db2.gz LBIJSWZCGXQAFL-MRXNPFEDSA-N -1 3 372.397 0.346 10 0 FCAEHM CCOc1ccncc1S(=O)(=O)[N-]CCS(=O)(=O)NC(C)C ZINC000295453866 214298013 /nfs/dbraw/zinc/29/80/13/214298013.db2.gz PRCAVPIPEODPAC-UHFFFAOYSA-N -1 3 351.450 0.086 10 0 FCAEHM CC[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1)[C@@H](O)C(F)F ZINC000295370382 214292913 /nfs/dbraw/zinc/29/29/13/214292913.db2.gz DLDZIMMJYRIEFM-GXSJLCMTSA-N -1 3 354.350 0.868 10 0 FCAEHM CCOc1ccncc1S(=O)(=O)[N-][C@H](CC)CNS(C)(=O)=O ZINC000295699427 214313747 /nfs/dbraw/zinc/31/37/47/214313747.db2.gz JVYMCKZKUNHBAA-SNVBAGLBSA-N -1 3 351.450 0.086 10 0 FCAEHM CC(C)(C)OC(=O)N1CCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)C[C@@](C)(F)C1 ZINC000295654940 214311581 /nfs/dbraw/zinc/31/15/81/214311581.db2.gz VJQAXZCNFYTXHU-MGPLVRAMSA-N -1 3 372.397 0.392 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N[C@H]1CCCc2nn(C)cc21 ZINC000291561372 214042223 /nfs/dbraw/zinc/04/22/23/214042223.db2.gz NCZRZINHCVKWNL-LBPRGKRZSA-N -1 3 367.431 0.497 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N[C@@H]1CCCc2nn(C)cc21 ZINC000291561358 214042399 /nfs/dbraw/zinc/04/23/99/214042399.db2.gz NCZRZINHCVKWNL-GFCCVEGCSA-N -1 3 367.431 0.497 10 0 FCAEHM CC[C@@H](NC(=O)NCc1ccc(S(=O)(=O)[N-]C)s1)[C@@H](O)C(F)F ZINC000297253238 214387722 /nfs/dbraw/zinc/38/77/22/214387722.db2.gz BBQZPHVBSJHOMS-PSASIEDQSA-N -1 3 371.431 0.860 10 0 FCAEHM CCc1ncc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)s1 ZINC000409798441 529759295 /nfs/dbraw/zinc/75/92/95/529759295.db2.gz OHJQMKRYGBPCAH-NXEZZACHSA-N -1 3 367.518 0.702 10 0 FCAEHM CCN(CC)C(=O)COc1cccc(NC(=O)CN2CC(=O)[N-]C2=O)c1 ZINC000265455079 210139496 /nfs/dbraw/zinc/13/94/96/210139496.db2.gz PWUHTHCWZILIDY-UHFFFAOYSA-N -1 3 362.386 0.424 10 0 FCAEHM Cc1nn2c(nnc2SCC(=O)N2CCO[C@H]3CCCC[C@H]32)[n-]c1=O ZINC000265204464 210074620 /nfs/dbraw/zinc/07/46/20/210074620.db2.gz UNOOOSCWKQLKFN-MNOVXSKESA-N -1 3 364.431 0.795 10 0 FCAEHM COCCCOc1ccc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)cc1OC ZINC000287073301 213581462 /nfs/dbraw/zinc/58/14/62/213581462.db2.gz TTWHULGIOHNWPW-NSHDSACASA-N -1 3 351.359 0.647 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000333070730 215231557 /nfs/dbraw/zinc/23/15/57/215231557.db2.gz OTEQIEOIIALUIF-RDJZCZTQSA-N -1 3 373.453 0.930 10 0 FCAEHM CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000286258272 213469516 /nfs/dbraw/zinc/46/95/16/213469516.db2.gz KWZYRVPBZGYRFR-NSHDSACASA-N -1 3 365.411 0.066 10 0 FCAEHM NC(=O)c1cccc(S(=O)(=O)[N-]c2cc(-n3cnnn3)ccc2F)c1 ZINC000361615561 215398430 /nfs/dbraw/zinc/39/84/30/215398430.db2.gz NARUQQYYUMXNOV-UHFFFAOYSA-N -1 3 362.346 0.701 10 0 FCAEHM CN1CCO[C@@H]2CCN(C(=O)c3cccc([C@]4(C)NC(=O)[N-]C4=O)c3)C[C@H]21 ZINC000284668758 213193277 /nfs/dbraw/zinc/19/32/77/213193277.db2.gz HMXFFHSRORNFPG-CLCXKQKWSA-N -1 3 372.425 0.286 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCOC(=O)C1CC1 ZINC000283787070 213008754 /nfs/dbraw/zinc/00/87/54/213008754.db2.gz VQXCOKGYFVEAMB-JTQLQIEISA-N -1 3 358.391 0.562 10 0 FCAEHM CN(C)C(=O)[C@@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000412592483 237232539 /nfs/dbraw/zinc/23/25/39/237232539.db2.gz ZUAWKEGZSCPVIJ-UKRRQHHQSA-N -1 3 359.426 0.934 10 0 FCAEHM CCOC(=O)c1cn[n-]c1S(=O)(=O)N1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000366836813 216039833 /nfs/dbraw/zinc/03/98/33/216039833.db2.gz DMSLIXXOKKRNIY-KGYLQXTDSA-N -1 3 373.431 0.543 10 0 FCAEHM CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000366836813 216039834 /nfs/dbraw/zinc/03/98/34/216039834.db2.gz DMSLIXXOKKRNIY-KGYLQXTDSA-N -1 3 373.431 0.543 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000366891020 216045855 /nfs/dbraw/zinc/04/58/55/216045855.db2.gz FJTRQGNGZSPYRK-VHDGCEQUSA-N -1 3 373.409 0.954 10 0 FCAEHM CCS(=O)(=O)NCC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000367002178 216061180 /nfs/dbraw/zinc/06/11/80/216061180.db2.gz WFSYERJQLMLZND-UHFFFAOYSA-N -1 3 350.400 0.623 10 0 FCAEHM O=C(CN1CCN(C(=O)c2ccccc2[O-])CC1)N1CCOC[C@@H]1C1CC1 ZINC000367239391 216096067 /nfs/dbraw/zinc/09/60/67/216096067.db2.gz CVAJCXFJUYRZOR-QGZVFWFLSA-N -1 3 373.453 0.787 10 0 FCAEHM COc1nc(NC(=O)CN2C(=O)NC3(C[C@@H](C)C[C@H](C)C3)C2=O)n[n-]1 ZINC000368049937 216196245 /nfs/dbraw/zinc/19/62/45/216196245.db2.gz XZFGKABXKKZRIG-IUCAKERBSA-N -1 3 350.379 0.499 10 0 FCAEHM COc1nnc(NC(=O)CN2C(=O)NC3(C[C@@H](C)C[C@H](C)C3)C2=O)[n-]1 ZINC000368049937 216196249 /nfs/dbraw/zinc/19/62/49/216196249.db2.gz XZFGKABXKKZRIG-IUCAKERBSA-N -1 3 350.379 0.499 10 0 FCAEHM COc1n[n-]c(NC(=O)CN2C(=O)NC3(C[C@@H](C)C[C@H](C)C3)C2=O)n1 ZINC000368049937 216196253 /nfs/dbraw/zinc/19/62/53/216196253.db2.gz XZFGKABXKKZRIG-IUCAKERBSA-N -1 3 350.379 0.499 10 0 FCAEHM Cc1cc(N2CCC[C@@H]([N-]S(=O)(=O)N3CCC[C@@H](C)C3)C2=O)n(C)n1 ZINC000246746818 209398565 /nfs/dbraw/zinc/39/85/65/209398565.db2.gz ATWPQLDHDOWPDU-TZMCWYRMSA-N -1 3 369.491 0.790 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)N[C@@H]1CCc2[nH]cnc2C1 ZINC000368217697 216219238 /nfs/dbraw/zinc/21/92/38/216219238.db2.gz VRCRRNKNIVRUHJ-SNVBAGLBSA-N -1 3 352.391 0.501 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)N[C@@H]1CCc2nc[nH]c2C1 ZINC000368217697 216219244 /nfs/dbraw/zinc/21/92/44/216219244.db2.gz VRCRRNKNIVRUHJ-SNVBAGLBSA-N -1 3 352.391 0.501 10 0 FCAEHM Cn1cc(C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c(-c2cccs2)n1 ZINC000195001850 209332277 /nfs/dbraw/zinc/33/22/77/209332277.db2.gz SAYNGSKQLFLNSW-INIZCTEOSA-N -1 3 359.411 0.963 10 0 FCAEHM Cc1cccc2c1[n-]cc(C(=O)N1CC(n3cc(C(N)=O)nn3)C1)c2=O ZINC000368379694 216240973 /nfs/dbraw/zinc/24/09/73/216240973.db2.gz GQLUGYGWTVEWSI-UHFFFAOYSA-N -1 3 352.354 0.224 10 0 FCAEHM Cc1sc2[nH]c(CN3CCC[C@]4(C3)NC(=O)[N-]C4=O)nc(=O)c2c1C ZINC000192683879 209303027 /nfs/dbraw/zinc/30/30/27/209303027.db2.gz ONQHWVBRDKEXCC-MRXNPFEDSA-N -1 3 361.427 0.775 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)c([O-])c1 ZINC000279505027 212558963 /nfs/dbraw/zinc/55/89/63/212558963.db2.gz OEIBXQHZCOWNBE-GOSISDBHSA-N -1 3 374.397 0.021 10 0 FCAEHM CCCn1[n-]cc/c1=N\C(=O)CN1CCC[C@@H]([N@H+](C)CC(=O)[O-])CC1 ZINC000191998435 209293532 /nfs/dbraw/zinc/29/35/32/209293532.db2.gz JQUMQMDWVUNLLX-CVALACBASA-N -1 3 351.451 0.524 10 0 FCAEHM CCCn1[n-]cc/c1=N\C(=O)CN1CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000191998435 209293536 /nfs/dbraw/zinc/29/35/36/209293536.db2.gz JQUMQMDWVUNLLX-CVALACBASA-N -1 3 351.451 0.524 10 0 FCAEHM CCn1nccc1N1CCC[C@@H]([N-]S(=O)(=O)N2CCC[C@H](C)C2)C1=O ZINC000189157682 209247174 /nfs/dbraw/zinc/24/71/74/209247174.db2.gz GWXZWHWXBPZXKL-UONOGXRCSA-N -1 3 369.491 0.965 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000277549681 212372598 /nfs/dbraw/zinc/37/25/98/212372598.db2.gz MFQUCGCXNZVDRL-RDTXWAMCSA-N -1 3 363.389 0.567 10 0 FCAEHM Cc1cc(C)c(N2CC[C@H](NC(=O)CN3CC(=O)[N-]C3=O)C2=O)c(C)c1 ZINC000276559228 212254874 /nfs/dbraw/zinc/25/48/74/212254874.db2.gz HHYDWPDGNOHQFY-ZDUSSCGKSA-N -1 3 358.398 0.385 10 0 FCAEHM COC[C@H](C[N-]S(=O)(=O)c1ccc(CCNC(=O)OC)s1)OC ZINC000276278166 212203320 /nfs/dbraw/zinc/20/33/20/212203320.db2.gz WCSYQGJHBYEJQR-JTQLQIEISA-N -1 3 366.461 0.586 10 0 FCAEHM CCOC(=O)CC[N-]S(=O)(=O)c1ccc(CCNC(=O)OC)s1 ZINC000276227923 212191800 /nfs/dbraw/zinc/19/18/00/212191800.db2.gz MZWGMEBOGPGTQN-UHFFFAOYSA-N -1 3 364.445 0.878 10 0 FCAEHM COC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H](C)C[S@@](C)=O)s1 ZINC000276239844 212194109 /nfs/dbraw/zinc/19/41/09/212194109.db2.gz PHMKXVLCQCFMSH-JLTPVHFHSA-N -1 3 368.502 0.692 10 0 FCAEHM COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000276140882 212171153 /nfs/dbraw/zinc/17/11/53/212171153.db2.gz DXLJPRBUHUBSRI-GYSYKLTISA-N -1 3 372.468 0.827 10 0 FCAEHM COc1ccc(CN2CC[C@H]([N-]S(=O)(=O)[C@H]3CCO[C@H]3C)C2=O)cc1 ZINC000276127086 212166081 /nfs/dbraw/zinc/16/60/81/212166081.db2.gz ZPYGCIOXAIOXHU-RCBQFDQVSA-N -1 3 368.455 0.893 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCN1CCCOCC1 ZINC000275806662 212094781 /nfs/dbraw/zinc/09/47/81/212094781.db2.gz IMWGXWZJPSRBFA-ZDUSSCGKSA-N -1 3 373.450 0.331 10 0 FCAEHM COCCCN(CCO)C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000275812265 212096312 /nfs/dbraw/zinc/09/63/12/212096312.db2.gz DNRSXZPLVOYHQE-LBPRGKRZSA-N -1 3 362.423 0.350 10 0 FCAEHM O=C(Nc1c[nH]c(=O)[n-]c1=O)c1cccc(I)c1 ZINC000008907019 204347439 /nfs/dbraw/zinc/34/74/39/204347439.db2.gz JLWMLVJTZZPOQU-UHFFFAOYSA-N -1 3 357.107 0.920 10 0 FCAEHM Cc1cc(C(=O)[N-]c2n[nH]c(C3CCC3)n2)nc2c1c(=O)n(C)c(=O)n2C ZINC000184554969 209165618 /nfs/dbraw/zinc/16/56/18/209165618.db2.gz HZTDXNORQHMACA-UHFFFAOYSA-N -1 3 369.385 0.579 10 0 FCAEHM C[C@H](NC(=O)CN1CC(=O)[N-]C1=O)c1ccc(N2CCCNC2=O)cc1 ZINC000291034569 214009950 /nfs/dbraw/zinc/00/99/50/214009950.db2.gz JQAGIUXDFBKBFJ-NSHDSACASA-N -1 3 359.386 0.335 10 0 FCAEHM Cc1c([O-])ccc2c(CN3CCC[C@]4(C3)NC(=O)NC4=O)cc(=O)oc12 ZINC000373844327 217067017 /nfs/dbraw/zinc/06/70/17/217067017.db2.gz JBKMQAYLUKETQG-GOSISDBHSA-N -1 3 357.366 0.981 10 0 FCAEHM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)CC1=O ZINC000374122371 217098822 /nfs/dbraw/zinc/09/88/22/217098822.db2.gz TZQAWCFOCPYLBE-XUJVJEKNSA-N -1 3 370.409 0.618 10 0 FCAEHM O=C(CC[C@@H]1NC(=O)[N-]C1=O)N1CCn2c(Cc3ccccc3)nnc2C1 ZINC000374180924 217105451 /nfs/dbraw/zinc/10/54/51/217105451.db2.gz SQRKQEFPPSAXAI-ZDUSSCGKSA-N -1 3 368.397 0.199 10 0 FCAEHM Cc1cn2c(n1)CN(C(=O)CC[N-]S(=O)(=O)c1cccs1)CC2 ZINC000374701328 217159367 /nfs/dbraw/zinc/15/93/67/217159367.db2.gz YDEZZALYKQAIIZ-UHFFFAOYSA-N -1 3 354.457 0.964 10 0 FCAEHM CN(C[C@@H]1C[C@H](F)CN1C(=O)C[C@@H]1NC(=O)[N-]C1=O)C(=O)OC(C)(C)C ZINC000375323461 217249846 /nfs/dbraw/zinc/24/98/46/217249846.db2.gz GNLCGVLLACELPA-DCAQKATOSA-N -1 3 372.397 0.390 10 0 FCAEHM C[C@@H]1C[C@@H]1N1C[C@H]([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)CC1=O ZINC000416417985 245574986 /nfs/dbraw/zinc/57/49/86/245574986.db2.gz ZIYTXWLAOMGPTL-XLDPMVHQSA-N -1 3 369.374 0.548 10 0 FCAEHM CC[C@@H]([N-]S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)C(=O)OC ZINC000274425436 211844823 /nfs/dbraw/zinc/84/48/23/211844823.db2.gz FSQZTDAQXPFSHD-CYBMUJFWSA-N -1 3 368.411 0.544 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@@H]1CCC(=O)N(C)C1=O ZINC000425233907 247310525 /nfs/dbraw/zinc/31/05/25/247310525.db2.gz YWXVASCLMZEOAI-SECBINFHSA-N -1 3 358.372 0.109 10 0 FCAEHM C[C@@H]1[C@H](NC(=O)C(=O)[N-]c2cnns2)CC(=O)N1Cc1ccccc1 ZINC000440101696 248156631 /nfs/dbraw/zinc/15/66/31/248156631.db2.gz KAQZFUGMQOWHKU-ZYHUDNBSSA-N -1 3 359.411 0.782 10 0 FCAEHM COC(=O)c1cc(C(=O)[N-]c2cccc(S(=O)(=O)N(C)C)c2)no1 ZINC000439296910 248120980 /nfs/dbraw/zinc/12/09/80/248120980.db2.gz NRNAXENVOHECJM-UHFFFAOYSA-N -1 3 353.356 0.964 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)N[C@H]1CCCOC1 ZINC000441128544 248239686 /nfs/dbraw/zinc/23/96/86/248239686.db2.gz DKSRICSWVHSYJH-NSHDSACASA-N -1 3 363.386 0.721 10 0 FCAEHM O=S(=O)([N-]C[C@H]1CN2CCN1CC2)c1cnccc1C(F)(F)F ZINC000442745013 248294336 /nfs/dbraw/zinc/29/43/36/248294336.db2.gz UNJOGNYNOGGKDH-JTQLQIEISA-N -1 3 350.366 0.379 10 0 FCAEHM O=C1CN(CCC[N-]S(=O)(=O)c2cnccc2C(F)(F)F)CCN1 ZINC000442739976 248294583 /nfs/dbraw/zinc/29/45/83/248294583.db2.gz GMBOCLGFYKDHOC-UHFFFAOYSA-N -1 3 366.365 0.201 10 0 FCAEHM O=S(=O)([N-]C[C@@H]1CCCS1(=O)=O)c1cnccc1C(F)(F)F ZINC000442755174 248295492 /nfs/dbraw/zinc/29/54/92/248295492.db2.gz YGNMUTDSJIYZNQ-QMMMGPOBSA-N -1 3 358.363 0.956 10 0 FCAEHM COC(=O)C1CCC([N-]S(=O)(=O)[C@@H]2CCO[C@H]2C)(C(=O)OC)CC1 ZINC000442768818 248296271 /nfs/dbraw/zinc/29/62/71/248296271.db2.gz MGZXDVLOBNFUQN-DILZAHMFSA-N -1 3 363.432 0.358 10 0 FCAEHM CCn1cncc1S(=O)(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000443197325 248310764 /nfs/dbraw/zinc/31/07/64/248310764.db2.gz ADCPSPPPIYSRKC-UHFFFAOYSA-N -1 3 352.416 0.707 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(C)cc(OCCO)c2)cn1 ZINC000446581211 248391735 /nfs/dbraw/zinc/39/17/35/248391735.db2.gz QVOVNLNDOXVHCP-UHFFFAOYSA-N -1 3 365.411 0.922 10 0 FCAEHM CC[C@H](NC(=O)CC[N-]S(=O)(=O)c1cccs1)[C@H](O)C(F)F ZINC000452473433 249318390 /nfs/dbraw/zinc/31/83/90/249318390.db2.gz CVRAUFOCEORABF-KWQFWETISA-N -1 3 356.416 0.937 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CC[C@@](O)(C(F)F)C1 ZINC000452677697 249327902 /nfs/dbraw/zinc/32/79/02/249327902.db2.gz DMNWMNOKEGALDK-NSHDSACASA-N -1 3 374.818 0.908 10 0 FCAEHM COc1nnc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)[n-]1 ZINC000271319090 211377560 /nfs/dbraw/zinc/37/75/60/211377560.db2.gz WZHGHVFJXKMRRT-MRXNPFEDSA-N -1 3 358.358 0.527 10 0 FCAEHM COc1nc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)n[n-]1 ZINC000271319090 211377566 /nfs/dbraw/zinc/37/75/66/211377566.db2.gz WZHGHVFJXKMRRT-MRXNPFEDSA-N -1 3 358.358 0.527 10 0 FCAEHM COc1n[n-]c(NC(=O)CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)n1 ZINC000271319090 211377571 /nfs/dbraw/zinc/37/75/71/211377571.db2.gz WZHGHVFJXKMRRT-MRXNPFEDSA-N -1 3 358.358 0.527 10 0 FCAEHM C[C@H](CNC(=O)C[C@@H]1NC(=O)[N-]C1=O)Oc1ccc(Br)cc1 ZINC000270805255 211272617 /nfs/dbraw/zinc/27/26/17/211272617.db2.gz MTCSZTSCBWJSFM-KCJUWKMLSA-N -1 3 370.203 0.931 10 0 FCAEHM CN(C(=O)C[C@@H]1NC(=O)[N-]C1=O)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000270590942 211231448 /nfs/dbraw/zinc/23/14/48/211231448.db2.gz MAPFEQUPUBVASJ-JQWIXIFHSA-N -1 3 364.789 0.502 10 0 FCAEHM CN1CCN(CCCNC(=O)C[C@@H]2NC(=O)[N-]C2=O)[C@@H](c2ccccc2)C1 ZINC000270571826 211225385 /nfs/dbraw/zinc/22/53/85/211225385.db2.gz BQHTYCTVOWIEGS-JKSUJKDBSA-N -1 3 373.457 0.080 10 0 FCAEHM CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)ccc1C(=O)OC)C(=O)OC ZINC000270500259 211212438 /nfs/dbraw/zinc/21/24/38/211212438.db2.gz MIUNRTSFPLFQFT-LLVKDONJSA-N -1 3 373.383 0.490 10 0 FCAEHM CC[C@@H](CO)N1CCN(C(=O)c2cc(S(=O)(=O)[N-]C)oc2C)CC1 ZINC000270515911 211214190 /nfs/dbraw/zinc/21/41/90/211214190.db2.gz MCWVRYYSHCFGPT-LBPRGKRZSA-N -1 3 359.448 0.025 10 0 FCAEHM COC(=O)[C@@H]1CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)[C@H]1C ZINC000470066168 250025009 /nfs/dbraw/zinc/02/50/09/250025009.db2.gz MPBSUZKHPGANIE-SDDRHHMPSA-N -1 3 372.418 0.903 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@]2(C(=O)OC)CCSC2)c(C)o1 ZINC000270233147 211171930 /nfs/dbraw/zinc/17/19/30/211171930.db2.gz JPYXRSUKRSKZOU-CYBMUJFWSA-N -1 3 363.413 0.702 10 0 FCAEHM O=C(NCCS(=O)(=O)NCc1ccccc1)NCc1ncccc1[O-] ZINC000471686077 250116069 /nfs/dbraw/zinc/11/60/69/250116069.db2.gz DHNQALQFJTWDMZ-UHFFFAOYSA-N -1 3 364.427 0.706 10 0 FCAEHM O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)NCc1ncccc1[O-] ZINC000471843924 250120488 /nfs/dbraw/zinc/12/04/88/250120488.db2.gz JLOVFCCDHFDETP-LBPRGKRZSA-N -1 3 372.447 0.075 10 0 FCAEHM CCn1nccc1S(=O)(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000472579102 250162908 /nfs/dbraw/zinc/16/29/08/250162908.db2.gz GZXAGDWXVSHMEA-UHFFFAOYSA-N -1 3 352.416 0.707 10 0 FCAEHM O=C(NCc1ncccc1[O-])C(=O)Nc1ccc(-n2cncn2)c(F)c1 ZINC000473051561 250196604 /nfs/dbraw/zinc/19/66/04/250196604.db2.gz WZFHCCXSNDDGSU-UHFFFAOYSA-N -1 3 356.317 0.762 10 0 FCAEHM COC(=O)COc1ccc(NC(=O)C(=O)NCc2ncccc2[O-])cc1 ZINC000473064662 250196986 /nfs/dbraw/zinc/19/69/86/250196986.db2.gz BYWCCTGEMHKCQH-UHFFFAOYSA-N -1 3 359.338 0.594 10 0 FCAEHM O=C(NCc1ncccc1[O-])C(=O)Nc1ccccc1CN1CCOCC1 ZINC000473063390 250197530 /nfs/dbraw/zinc/19/75/30/250197530.db2.gz QZDRIPHQKLQZTJ-UHFFFAOYSA-N -1 3 370.409 0.874 10 0 FCAEHM CS(=O)(=O)NCCc1ccc(C(=O)NCc2ncccc2[O-])s1 ZINC000473636622 250242323 /nfs/dbraw/zinc/24/23/23/250242323.db2.gz HCHCBAVFHMWQSY-UHFFFAOYSA-N -1 3 355.441 0.870 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CC[C@H](C(F)(F)F)[C@H]2C)cn1C ZINC000473386276 250225388 /nfs/dbraw/zinc/22/53/88/250225388.db2.gz HDRPFYHMJNAJRY-SCZZXKLOSA-N -1 3 368.381 0.806 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]CCNS(=O)(=O)c2ccc(C)cc2)c1 ZINC000474069220 250268292 /nfs/dbraw/zinc/26/82/92/250268292.db2.gz TVVCOLFBJAAXIV-UHFFFAOYSA-N -1 3 372.472 0.468 10 0 FCAEHM CS(=O)(=O)Cc1ccc(S(=O)(=O)NCc2ncccc2[O-])cc1 ZINC000480732857 250279879 /nfs/dbraw/zinc/27/98/79/250279879.db2.gz SMTYCLFGYLVGGK-UHFFFAOYSA-N -1 3 356.425 0.810 10 0 FCAEHM O=C(C[C@H]1CCCS(=O)(=O)C1)NCCCNC(=O)c1cccc([O-])c1 ZINC000480946064 250301046 /nfs/dbraw/zinc/30/10/46/250301046.db2.gz RAJUFTJJNYOOKH-CYBMUJFWSA-N -1 3 368.455 0.843 10 0 FCAEHM COC(=O)[C@H]1CCN(C(=O)Nc2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)C1 ZINC000480951759 250301154 /nfs/dbraw/zinc/30/11/54/250301154.db2.gz OCNBYSRQBXTQCU-AAEUAGOBSA-N -1 3 360.370 0.464 10 0 FCAEHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]CC[C@H](C)[S@](C)=O)s1 ZINC000481075299 250312829 /nfs/dbraw/zinc/31/28/29/250312829.db2.gz FZGZJHYHIATFFT-PPRQPISWSA-N -1 3 369.486 0.979 10 0 FCAEHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]CC[C@H](C)[S@@](C)=O)s1 ZINC000481075290 250313901 /nfs/dbraw/zinc/31/39/01/250313901.db2.gz FZGZJHYHIATFFT-HXNGOWOSSA-N -1 3 369.486 0.979 10 0 FCAEHM Cn1cc(C(=O)NC[C@@H](CO)Cc2ccc(F)c(F)c2)c(=O)[n-]c1=O ZINC000482317940 250387109 /nfs/dbraw/zinc/38/71/09/250387109.db2.gz JQHZUXQXDICYGC-JTQLQIEISA-N -1 3 353.325 0.345 10 0 FCAEHM Cc1nc2n(n1)CCC[C@H]2NC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000269237439 210934058 /nfs/dbraw/zinc/93/40/58/210934058.db2.gz HBHUWPHBINIEOK-ACJLOTCBSA-N -1 3 368.397 0.906 10 0 FCAEHM Cn1cc([C@@H]2CCN(C(=O)CCn3[n-]c(=O)c4ccccc4c3=O)C2)cn1 ZINC000116124536 208327932 /nfs/dbraw/zinc/32/79/32/208327932.db2.gz WSYAFDSYWGFNTI-CYBMUJFWSA-N -1 3 367.409 0.830 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)CNC(=O)COc2ccccc2)n[n-]1 ZINC000119758090 208367979 /nfs/dbraw/zinc/36/79/79/208367979.db2.gz XVCSIDYCJQUTSM-UHFFFAOYSA-N -1 3 354.370 0.944 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)CNC(=O)COc2ccccc2)[n-]n1 ZINC000119758090 208367987 /nfs/dbraw/zinc/36/79/87/208367987.db2.gz XVCSIDYCJQUTSM-UHFFFAOYSA-N -1 3 354.370 0.944 10 0 FCAEHM Cc1nc2n(n1)CCC[C@H]2NC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000176279923 209001322 /nfs/dbraw/zinc/00/13/22/209001322.db2.gz UDAOVHBCOKLUCU-LLVKDONJSA-N -1 3 369.472 0.968 10 0 FCAEHM CCc1nc(C2([N-]S(=O)(=O)c3cc(C(N)=O)n(C)c3)CCCC2)no1 ZINC000177609167 209029908 /nfs/dbraw/zinc/02/99/08/209029908.db2.gz HVCMCMXHKWABFD-UHFFFAOYSA-N -1 3 367.431 0.817 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCC[C@@H](O)C(F)(F)F ZINC000410062271 533486484 /nfs/dbraw/zinc/48/64/84/533486484.db2.gz OXGHMVMNZNOPTK-HTQZYQBOSA-N -1 3 360.379 0.844 10 0 FCAEHM Cn1ncc2c1ncc(C(=O)NCCc1nnc3n1CCCCC3)c2[O-] ZINC000179706541 209085733 /nfs/dbraw/zinc/08/57/33/209085733.db2.gz TUNMHGCDZNLRPQ-UHFFFAOYSA-N -1 3 355.402 0.964 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1ccc(I)cc1 ZINC000046729285 487988968 /nfs/dbraw/zinc/98/89/68/487988968.db2.gz JRFFPVJHEVGBCH-QMMMGPOBSA-N -1 3 359.123 0.828 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](CF)C(=O)OC)cc(F)c1F ZINC000287394589 488865923 /nfs/dbraw/zinc/86/59/23/488865923.db2.gz KGCJVOKHBCMJJV-SECBINFHSA-N -1 3 355.290 0.541 10 0 FCAEHM CC(C)OCCS(=O)(=O)[N-]CC(=O)Nc1ccc2c(n1)OCCO2 ZINC000618080239 484209793 /nfs/dbraw/zinc/20/97/93/484209793.db2.gz FMHRGPONJWPOMB-UHFFFAOYSA-N -1 3 359.404 0.136 10 0 FCAEHM Cn1ccc(NC(=O)C[N-]S(=O)(=O)CCc2ccc3c(c2)CCO3)n1 ZINC000519291890 484494082 /nfs/dbraw/zinc/49/40/82/484494082.db2.gz XLZUCZVCPCLJIQ-UHFFFAOYSA-N -1 3 364.427 0.456 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@H]1CN2CCC[C@@H]2CO1 ZINC000363693312 488874667 /nfs/dbraw/zinc/87/46/67/488874667.db2.gz PJEAAKPUVVCCPF-OLZOCXBDSA-N -1 3 374.484 0.232 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H](C)[C@H](C)OC)ccc1F ZINC000287649015 488891410 /nfs/dbraw/zinc/89/14/10/488891410.db2.gz HLQRJGWSESLIIG-IUCAKERBSA-N -1 3 361.395 0.212 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)CCS(C)(=O)=O)c1cn(-c2ccccc2)nn1 ZINC000363894999 488897510 /nfs/dbraw/zinc/89/75/10/488897510.db2.gz PVNUGPRFDDVDRU-NSHDSACASA-N -1 3 358.445 0.292 10 0 FCAEHM COc1ccccc1CNC(=O)[C@H](C)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279047493 488913257 /nfs/dbraw/zinc/91/32/57/488913257.db2.gz JZWBGCGUAOSJFR-KPZWWZAWSA-N -1 3 360.414 0.374 10 0 FCAEHM C[C@@H](C(=O)NC(=O)Nc1ccccc1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279060535 488913881 /nfs/dbraw/zinc/91/38/81/488913881.db2.gz LNIVARLLKBVTRC-APPDUMDISA-N -1 3 359.386 0.397 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCNC(=O)C[C@H]1C ZINC000364102474 488923141 /nfs/dbraw/zinc/92/31/41/488923141.db2.gz NLJFOSINVIDBCR-SNVBAGLBSA-N -1 3 367.427 0.909 10 0 FCAEHM O=C(Nc1ccccc1)c1ccc(N2CCC[C@]3(C2)NC(=O)[N-]C3=O)nn1 ZINC000279130616 488919232 /nfs/dbraw/zinc/91/92/32/488919232.db2.gz QXPLORKXZIBVSE-GOSISDBHSA-N -1 3 366.381 0.907 10 0 FCAEHM COc1ccccc1[C@@H](C)NC(=O)CN1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279152080 488920683 /nfs/dbraw/zinc/92/06/83/488920683.db2.gz YVCMBFWFYPJBPP-XIKOKIGWSA-N -1 3 360.414 0.546 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CC(F)(F)C[C@@H]2CO)s1 ZINC000364185166 488932266 /nfs/dbraw/zinc/93/22/66/488932266.db2.gz XRHWLSHQLIDLPG-MRVPVSSYSA-N -1 3 369.415 0.568 10 0 FCAEHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000279346795 488934650 /nfs/dbraw/zinc/93/46/50/488934650.db2.gz CIOYTXFFBFSRRV-OAHLLOKOSA-N -1 3 351.384 0.212 10 0 FCAEHM O=C(Cn1ccc2ccccc2c1=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279292777 488930384 /nfs/dbraw/zinc/93/03/84/488930384.db2.gz YDOXZJLFYAVODB-GOSISDBHSA-N -1 3 354.366 0.202 10 0 FCAEHM O=C(C1=NN(c2ccccc2)C(=O)CC1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279399188 488939509 /nfs/dbraw/zinc/93/95/09/488939509.db2.gz GSGASEVGJSYTEB-SFHVURJKSA-N -1 3 369.381 0.370 10 0 FCAEHM O=C(Nc1ccc(C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1)C1CC1 ZINC000279425969 488940920 /nfs/dbraw/zinc/94/09/20/488940920.db2.gz ISGMWENFTZWGPM-GOSISDBHSA-N -1 3 356.382 0.849 10 0 FCAEHM COc1cc(C=CC(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc(OC)c1 ZINC000279376792 488936893 /nfs/dbraw/zinc/93/68/93/488936893.db2.gz FFMBXQBHGUKICR-SHCNBLLESA-N -1 3 359.382 0.918 10 0 FCAEHM COC[C@](C)([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C(=O)OC ZINC000288045723 488937085 /nfs/dbraw/zinc/93/70/85/488937085.db2.gz IIUHBIASWRXQRG-NSHDSACASA-N -1 3 356.322 0.957 10 0 FCAEHM Cn1ncc(C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1-c1ccccc1 ZINC000279380230 488937496 /nfs/dbraw/zinc/93/74/96/488937496.db2.gz FMGGYIKTRAOENO-GOSISDBHSA-N -1 3 353.382 0.901 10 0 FCAEHM O=C(c1c[nH]c(=S)n1-c1ccccc1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279453782 488943545 /nfs/dbraw/zinc/94/35/45/488943545.db2.gz KRPJEWPRXQOVDM-KRWDZBQOSA-N -1 3 371.422 0.975 10 0 FCAEHM C[C@H]1Sc2ccc(C(=O)N3CCC[C@]4(C3)NC(=O)[N-]C4=O)cc2NC1=O ZINC000279463162 488944224 /nfs/dbraw/zinc/94/42/24/488944224.db2.gz LGXMAZTZIBEOKU-VVVCHXIZSA-N -1 3 374.422 0.934 10 0 FCAEHM Cc1ccn(C[C@@](C)(O)C(=O)NCc2ccc(-c3nnn[n-]3)cc2)c(=O)c1 ZINC000279432181 488941490 /nfs/dbraw/zinc/94/14/90/488941490.db2.gz ZIIYWCFSIIIVSD-GOSISDBHSA-N -1 3 368.397 0.404 10 0 FCAEHM Cc1ccn(C[C@@](C)(O)C(=O)NCc2ccc(-c3nn[n-]n3)cc2)c(=O)c1 ZINC000279432181 488941493 /nfs/dbraw/zinc/94/14/93/488941493.db2.gz ZIIYWCFSIIIVSD-GOSISDBHSA-N -1 3 368.397 0.404 10 0 FCAEHM O=C([C@H]1CC(c2cccc(F)c2)=NO1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279519859 488949536 /nfs/dbraw/zinc/94/95/36/488949536.db2.gz PIDVUQYPCLPFPA-DYVFJYSZSA-N -1 3 360.345 0.519 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000279588932 488954506 /nfs/dbraw/zinc/95/45/06/488954506.db2.gz UFMNWOJRWVRUFM-MEDUHNTESA-N -1 3 369.418 0.231 10 0 FCAEHM CCOc1ccc(C(=O)NCC(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000279630439 488957799 /nfs/dbraw/zinc/95/77/99/488957799.db2.gz YAFQYRHQZGKJSA-GOSISDBHSA-N -1 3 374.397 0.016 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000042743708 487875968 /nfs/dbraw/zinc/87/59/68/487875968.db2.gz GTTYIESTKZVKTH-AWEZNQCLSA-N -1 3 364.833 0.972 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CC(=O)N(C2CC2)C1 ZINC000279796532 488968858 /nfs/dbraw/zinc/96/88/58/488968858.db2.gz XPGHEFBSLNJAAN-UHFFFAOYSA-N -1 3 365.411 0.962 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCc1ccc(Cn2ccccc2=O)cc1 ZINC000055624179 488244678 /nfs/dbraw/zinc/24/46/78/488244678.db2.gz GTIRIUJIIWZNGV-AWEZNQCLSA-N -1 3 354.366 0.111 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N(C)CC(=O)NC(C)(C)C ZINC000056260521 488254202 /nfs/dbraw/zinc/25/42/02/488254202.db2.gz WNZBSJIXWFCQCB-SNVBAGLBSA-N -1 3 361.489 0.788 10 0 FCAEHM CCOCCN(Cc1ccc(C(=O)OC)o1)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000066715821 488335560 /nfs/dbraw/zinc/33/55/60/488335560.db2.gz NGPVCSFQGRKPEK-NSHDSACASA-N -1 3 367.358 0.029 10 0 FCAEHM C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000068097288 488360341 /nfs/dbraw/zinc/36/03/41/488360341.db2.gz KPPAKYKTBYZCRG-NEPJUHHUSA-N -1 3 370.409 0.370 10 0 FCAEHM CC(C)[C@H](CNC(=O)c1nc2ccccc2c(=O)[n-]1)N1CCN(C)CC1 ZINC000074273754 488389680 /nfs/dbraw/zinc/38/96/80/488389680.db2.gz AICTYGRYOGZKHC-INIZCTEOSA-N -1 3 357.458 0.925 10 0 FCAEHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@H]1COCCN1CC(F)F ZINC000185846830 488402850 /nfs/dbraw/zinc/40/28/50/488402850.db2.gz GJBVSDFRAOTPPD-GFCCVEGCSA-N -1 3 352.345 0.695 10 0 FCAEHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@H]1COCCN1CC(F)F ZINC000185846830 488402852 /nfs/dbraw/zinc/40/28/52/488402852.db2.gz GJBVSDFRAOTPPD-GFCCVEGCSA-N -1 3 352.345 0.695 10 0 FCAEHM COc1ccccc1[C@H](O)CNC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000268576378 488432978 /nfs/dbraw/zinc/43/29/78/488432978.db2.gz PVIPNDXGCHMKQL-GFCCVEGCSA-N -1 3 370.452 0.885 10 0 FCAEHM CCc1cnc(CCNC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)s1 ZINC000088593251 488456387 /nfs/dbraw/zinc/45/63/87/488456387.db2.gz HIYMNMGEDJSQGQ-UHFFFAOYSA-N -1 3 357.461 0.076 10 0 FCAEHM CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ncccc2[O-])CN1C1CCOCC1 ZINC000096150276 488490550 /nfs/dbraw/zinc/49/05/50/488490550.db2.gz FXUMCPGPMXUTBV-JSGCOSHPSA-N -1 3 362.430 0.275 10 0 FCAEHM CN1CC[C@@H](NC(=O)C[C@@H]2NC(=O)[N-]C2=O)[C@H]1c1ccc(Cl)cc1 ZINC000247816568 488491034 /nfs/dbraw/zinc/49/10/34/488491034.db2.gz WVYGVOSYJLUCFT-MBNYWOFBSA-N -1 3 350.806 0.800 10 0 FCAEHM CCNC(=O)CN1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CC1 ZINC000105797636 488510191 /nfs/dbraw/zinc/51/01/91/488510191.db2.gz KCWJGHIUJVYHRF-UHFFFAOYSA-N -1 3 369.425 0.923 10 0 FCAEHM Cc1nc(C)c(CC(=O)N[C@H](Cc2ccccc2)C(=O)N(C)C)c(=O)[n-]1 ZINC000109125818 488521602 /nfs/dbraw/zinc/52/16/02/488521602.db2.gz GBYFMGPJHXYUOB-MRXNPFEDSA-N -1 3 356.426 0.745 10 0 FCAEHM C[C@@H]1[C@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000272025033 488559295 /nfs/dbraw/zinc/55/92/95/488559295.db2.gz NQKWVHDPUPXGSQ-VWYCJHECSA-N -1 3 354.407 0.441 10 0 FCAEHM C[C@@H](C(=O)N(C)CC(=O)Nc1ccc(Cc2nnn[n-]2)cc1)n1cccn1 ZINC000120706102 488563111 /nfs/dbraw/zinc/56/31/11/488563111.db2.gz JRRHGOWTUPERGG-LBPRGKRZSA-N -1 3 368.401 0.645 10 0 FCAEHM C[C@@H](C(=O)N(C)CC(=O)Nc1ccc(Cc2nn[n-]n2)cc1)n1cccn1 ZINC000120706102 488563114 /nfs/dbraw/zinc/56/31/14/488563114.db2.gz JRRHGOWTUPERGG-LBPRGKRZSA-N -1 3 368.401 0.645 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]CCCOCCO)c(Cl)c1 ZINC000272529370 488586615 /nfs/dbraw/zinc/58/66/15/488586615.db2.gz AKTPCURGHACBMF-UHFFFAOYSA-N -1 3 351.808 0.804 10 0 FCAEHM Cc1cnc(CCN(C)C(=O)C[N-]S(=O)(=O)c2cn(C)c(C)n2)s1 ZINC000124214312 488590392 /nfs/dbraw/zinc/59/03/92/488590392.db2.gz FJKSOYQCSWFEMV-UHFFFAOYSA-N -1 3 371.488 0.473 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)[C@@H]1CCCc2n[nH]cc21 ZINC000126253828 488608206 /nfs/dbraw/zinc/60/82/06/488608206.db2.gz NHQRVYRIINYRQP-SNVBAGLBSA-N -1 3 354.457 0.986 10 0 FCAEHM Cn1cc([C@@H](CO)[N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)cn1 ZINC000272859529 488612254 /nfs/dbraw/zinc/61/22/54/488612254.db2.gz WZOMMVJHHBMWKI-SNVBAGLBSA-N -1 3 350.322 0.846 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]CCCS(C)(=O)=O)c(Cl)c1 ZINC000263661727 488616755 /nfs/dbraw/zinc/61/67/55/488616755.db2.gz DMLIGRIGYATBLU-UHFFFAOYSA-N -1 3 369.848 0.840 10 0 FCAEHM CN1CC[C@@H](NC(=O)CN2CC(=O)[N-]C2=O)[C@@H]1c1ccc(F)c(F)c1 ZINC000127496983 488617685 /nfs/dbraw/zinc/61/76/85/488617685.db2.gz CTHWHYKLKYGVGE-DOMZBBRYSA-N -1 3 352.341 0.378 10 0 FCAEHM Cc1noc(CC[N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)n1 ZINC000263676247 488617715 /nfs/dbraw/zinc/61/77/15/488617715.db2.gz LBDSIFLJIVBLLB-UHFFFAOYSA-N -1 3 354.363 0.923 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)NCCc2nc(C)no2)s1 ZINC000263698035 488619558 /nfs/dbraw/zinc/61/95/58/488619558.db2.gz MMAPKMCTIMYQNE-UHFFFAOYSA-N -1 3 359.433 0.390 10 0 FCAEHM CC(C)C(=O)NCCNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000263756081 488624576 /nfs/dbraw/zinc/62/45/76/488624576.db2.gz QSCOVUBIRREKGQ-NSHDSACASA-N -1 3 359.423 0.381 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N[C@H]2CCc3c2cccc3F)c1 ZINC000129624915 488632464 /nfs/dbraw/zinc/63/24/64/488632464.db2.gz QSMUJSUMKXISQR-ZDUSSCGKSA-N -1 3 352.391 0.641 10 0 FCAEHM O=C(NC1CC1)C(=O)N1CCN(C(=O)c2ccc3c(c2[O-])CCCC3)CC1 ZINC000273424347 488649973 /nfs/dbraw/zinc/64/99/73/488649973.db2.gz WFDDMQZHFRVWKE-UHFFFAOYSA-N -1 3 371.437 0.834 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCCN(C(N)=O)CC1 ZINC000264243836 488657702 /nfs/dbraw/zinc/65/77/02/488657702.db2.gz YXPLCIYQDHSEGU-NSHDSACASA-N -1 3 372.422 0.106 10 0 FCAEHM C[C@@H](CCNC(=O)CC[N-]S(=O)(=O)c1cccs1)[S@@](C)=O ZINC000134891946 488669238 /nfs/dbraw/zinc/66/92/38/488669238.db2.gz WHFFZUZITAKXIC-FVINQWEUSA-N -1 3 352.503 0.690 10 0 FCAEHM CCO[C@@H]1C[C@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)[C@H]1OC ZINC000274095156 488682956 /nfs/dbraw/zinc/68/29/56/488682956.db2.gz SBCGBZHXPMGKSA-MUYACECFSA-N -1 3 374.434 0.801 10 0 FCAEHM C[C@H](NC(=O)CN1CC(=O)[N-]C1=O)c1ccc(NC(=O)NC2CC2)cc1 ZINC000264836004 488717461 /nfs/dbraw/zinc/71/74/61/488717461.db2.gz KBCKYXVQBRJREL-JTQLQIEISA-N -1 3 359.386 0.700 10 0 FCAEHM C[C@@H]1[C@H](NC(=O)CN2CC(=O)[N-]C2=O)CCCN1C(=O)OC(C)(C)C ZINC000275095802 488761158 /nfs/dbraw/zinc/76/11/58/488761158.db2.gz BELFEYORMIMICS-GHMZBOCLSA-N -1 3 354.407 0.442 10 0 FCAEHM CC(C)(C)OC(=O)N1CC=C(CNC(=O)C[C@@H]2NC(=O)[N-]C2=O)CC1 ZINC000275147841 488766442 /nfs/dbraw/zinc/76/64/42/488766442.db2.gz VDHJNMCNULSNKX-NSHDSACASA-N -1 3 352.391 0.268 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N(C)[C@@H](C)C[S@](C)=O ZINC000159158043 488783826 /nfs/dbraw/zinc/78/38/26/488783826.db2.gz VZKFHTDPHMJENR-WEVHURDZSA-N -1 3 364.464 0.718 10 0 FCAEHM C[C@@]1(c2ccc(C(=O)NCCCN3CCOC3=O)cc2)NC(=O)[N-]C1=O ZINC000267353077 488780450 /nfs/dbraw/zinc/78/04/50/488780450.db2.gz VGGLHZKCDGSQKI-KRWDZBQOSA-N -1 3 360.370 0.313 10 0 FCAEHM CC(C)c1nn(-c2ccccc2)cc1CNC(=O)c1[nH]c(=O)[n-]c(=O)c1N ZINC000158998199 488782095 /nfs/dbraw/zinc/78/20/95/488782095.db2.gz SCLBQAFQTHEJGQ-UHFFFAOYSA-N -1 3 368.397 0.885 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H]1CCCC[C@@H]1C(N)=O ZINC000267380098 488782552 /nfs/dbraw/zinc/78/25/52/488782552.db2.gz ZSJYDOGYLZQJEC-GMXVVIOVSA-N -1 3 371.434 0.653 10 0 FCAEHM COC(=O)NCCc1ccc(S(=O)(=O)[N-]C[C@@H](C)C(=O)OC)s1 ZINC000276163390 488783336 /nfs/dbraw/zinc/78/33/36/488783336.db2.gz BLZOKEMTOGGPRP-SECBINFHSA-N -1 3 364.445 0.734 10 0 FCAEHM C[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000278034549 488797064 /nfs/dbraw/zinc/79/70/64/488797064.db2.gz XCVPGBFJZOLUDC-MWLCHTKSSA-N -1 3 362.835 0.907 10 0 FCAEHM Cc1cc(C[C@@H](C)NC(=O)C[C@@H]2NC(=O)[N-]C2=O)n(-c2ccccc2)n1 ZINC000162662403 488804315 /nfs/dbraw/zinc/80/43/15/488804315.db2.gz QSBIMNVNHGAIKF-ABAIWWIYSA-N -1 3 355.398 0.826 10 0 FCAEHM CC(C)COC1CCN(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)CC1 ZINC000268111879 488840361 /nfs/dbraw/zinc/84/03/61/488840361.db2.gz MEZFUBHQYPCGKC-UHFFFAOYSA-N -1 3 358.464 0.362 10 0 FCAEHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)NCCC(N)=O ZINC000175427962 488854139 /nfs/dbraw/zinc/85/41/39/488854139.db2.gz QHGXWLJEVHYAAP-UHFFFAOYSA-N -1 3 356.338 0.186 10 0 FCAEHM CC(C)Oc1ccc(NC(=O)C(=O)NN2CC(=O)[N-]C2=O)cc1Cl ZINC000288429390 488980008 /nfs/dbraw/zinc/98/00/08/488980008.db2.gz ODXZMBPXMBXFJI-UHFFFAOYSA-N -1 3 354.750 0.649 10 0 FCAEHM O=C(Cn1ccnc1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000570213875 491225534 /nfs/dbraw/zinc/22/55/34/491225534.db2.gz ZWPVLCRJUUIPDB-UHFFFAOYSA-N -1 3 354.457 0.914 10 0 FCAEHM CC(C)(C)OC(=O)NC(C)(C)CC(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000364785798 489002441 /nfs/dbraw/zinc/00/24/41/489002441.db2.gz KDKLTJUOMXYYAH-KRWDZBQOSA-N -1 3 368.434 0.880 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000329420291 489002588 /nfs/dbraw/zinc/00/25/88/489002588.db2.gz GTZQYFXBHXCJJA-UBHSHLNASA-N -1 3 370.475 0.511 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC[C@H](CO)[C@@H]1CCOC1 ZINC000280478438 489011908 /nfs/dbraw/zinc/01/19/08/489011908.db2.gz NQCMBOISDVBZAO-YNEHKIRRSA-N -1 3 374.434 0.254 10 0 FCAEHM CCOC(=O)[C@@H]1CC[C@H](NC(=O)c2cc(S(=O)(=O)[N-]C)oc2C)C1 ZINC000280630977 489022209 /nfs/dbraw/zinc/02/22/09/489022209.db2.gz HDWURPIKGCSSQQ-MNOVXSKESA-N -1 3 358.416 0.958 10 0 FCAEHM CS(=O)(=O)c1ccc(OCCN2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000365130151 489041338 /nfs/dbraw/zinc/04/13/38/489041338.db2.gz AXKSTEOUXHAEHB-MRXNPFEDSA-N -1 3 367.427 0.143 10 0 FCAEHM O=C(NC1(c2noc(CN3CC(=O)[N-]C3=O)n2)CCC1)c1ccccc1 ZINC000289441225 489067174 /nfs/dbraw/zinc/06/71/74/489067174.db2.gz RWLDKSHPJKHZMH-UHFFFAOYSA-N -1 3 355.354 0.931 10 0 FCAEHM CC(=O)Nc1cccc(NC(=O)CN2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000289534155 489075100 /nfs/dbraw/zinc/07/51/00/489075100.db2.gz WGNIJMJLGLPLGR-GFCCVEGCSA-N -1 3 358.402 0.875 10 0 FCAEHM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-][C@H](C)[C@@H](C)OC)c1 ZINC000289618358 489081906 /nfs/dbraw/zinc/08/19/06/489081906.db2.gz RHHYSAQHKOCRLR-NXEZZACHSA-N -1 3 359.400 0.962 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]CC1(C(N)=O)CCOCC1 ZINC000289642810 489083408 /nfs/dbraw/zinc/08/34/08/489083408.db2.gz ZMDGSQKTXAFADI-UHFFFAOYSA-N -1 3 374.415 0.243 10 0 FCAEHM CO[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000289737984 489089702 /nfs/dbraw/zinc/08/97/02/489089702.db2.gz XZJAAODHLDYSPD-RKDXNWHRSA-N -1 3 350.824 0.906 10 0 FCAEHM Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)CN1CC(=O)[N-]C1=O ZINC000281603763 489090950 /nfs/dbraw/zinc/09/09/50/489090950.db2.gz DNJVFPODLLAXCD-CYBMUJFWSA-N -1 3 360.370 0.095 10 0 FCAEHM CN1CCO[C@@H]2CN(C(=O)c3ccc(F)c([N-]S(C)(=O)=O)c3)C[C@@H]21 ZINC000365623657 489093973 /nfs/dbraw/zinc/09/39/73/489093973.db2.gz LOAYYWUURJUMNO-UONOGXRCSA-N -1 3 357.407 0.352 10 0 FCAEHM C[C@]1(c2ccc(C(=O)NC[C@H](CO)c3cccnc3)cc2)NC(=O)[N-]C1=O ZINC000570311652 491232807 /nfs/dbraw/zinc/23/28/07/491232807.db2.gz UKJMBWZJOWPCMC-AUUYWEPGSA-N -1 3 368.393 0.642 10 0 FCAEHM CN(C)S(=O)(=O)CC[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000290077229 489113123 /nfs/dbraw/zinc/11/31/23/489113123.db2.gz YQYDETIVSFLFGY-UHFFFAOYSA-N -1 3 361.367 0.270 10 0 FCAEHM COC(=O)[C@H]1CCN(S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000282097844 489133980 /nfs/dbraw/zinc/13/39/80/489133980.db2.gz FTEXTAMONFGORX-QMMMGPOBSA-N -1 3 371.806 0.704 10 0 FCAEHM COC(=O)[C@H]1CCN(S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000282097844 489133983 /nfs/dbraw/zinc/13/39/83/489133983.db2.gz FTEXTAMONFGORX-QMMMGPOBSA-N -1 3 371.806 0.704 10 0 FCAEHM CC(C)CN(CC(F)(F)F)C(=O)CN1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000330704913 489135892 /nfs/dbraw/zinc/13/58/92/489135892.db2.gz KGUOWNGFSFSSJN-SNVBAGLBSA-N -1 3 350.341 0.269 10 0 FCAEHM COCCOc1ccc(CC(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000366074603 489141170 /nfs/dbraw/zinc/14/11/70/489141170.db2.gz CALUZNOTACAVHN-SFHVURJKSA-N -1 3 361.398 0.455 10 0 FCAEHM COCCOc1ccc(CC(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000366074602 489141441 /nfs/dbraw/zinc/14/14/41/489141441.db2.gz CALUZNOTACAVHN-GOSISDBHSA-N -1 3 361.398 0.455 10 0 FCAEHM O=C(CCN1C(=O)CCc2ccccc21)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000366077121 489141952 /nfs/dbraw/zinc/14/19/52/489141952.db2.gz JMYPUPOVNLXPGP-IBGZPJMESA-N -1 3 370.409 0.557 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@H]1C(=O)NCC[C@@H]1C ZINC000282200681 489144877 /nfs/dbraw/zinc/14/48/77/489144877.db2.gz OQHXIKLSJVEEOD-OUJBWJOFSA-N -1 3 357.407 0.133 10 0 FCAEHM COc1ccc2c(c1)C=C(C(=O)N1CCC[C@@]3(C1)NC(=O)[N-]C3=O)CO2 ZINC000366121370 489148139 /nfs/dbraw/zinc/14/81/39/489148139.db2.gz CKQCWNINPUKYAI-SFHVURJKSA-N -1 3 357.366 0.672 10 0 FCAEHM CCN(CCOCCO)C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000282335678 489155946 /nfs/dbraw/zinc/15/59/46/489155946.db2.gz DKSWMKGPLQCESP-LBPRGKRZSA-N -1 3 362.423 0.350 10 0 FCAEHM COC(C)(C)CS(=O)(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000290821955 489167920 /nfs/dbraw/zinc/16/79/20/489167920.db2.gz TVZXJGJPHNFYQW-UHFFFAOYSA-N -1 3 356.491 0.371 10 0 FCAEHM CNC(=O)[C@@H]([N-]S(=O)(=O)c1cncc(Br)c1)C(C)C ZINC000331103243 489173314 /nfs/dbraw/zinc/17/33/14/489173314.db2.gz HBPNBXJWJTYVIO-JTQLQIEISA-N -1 3 350.238 0.893 10 0 FCAEHM O=C(Cc1ccccc1)NCCC(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282817474 489192006 /nfs/dbraw/zinc/19/20/06/489192006.db2.gz CAFKEMUAYPGHJY-CQSZACIVSA-N -1 3 357.414 0.553 10 0 FCAEHM O=C(CCOCC(F)(F)C(F)F)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000297627872 489216030 /nfs/dbraw/zinc/21/60/30/489216030.db2.gz CAJGBCVKBCQTAG-UHFFFAOYSA-N -1 3 353.276 0.943 10 0 FCAEHM O=C(CCOCC(F)(F)C(F)F)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000297627872 489216032 /nfs/dbraw/zinc/21/60/32/489216032.db2.gz CAJGBCVKBCQTAG-UHFFFAOYSA-N -1 3 353.276 0.943 10 0 FCAEHM O=C(CCOCC(F)(F)C(F)F)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000297627872 489216035 /nfs/dbraw/zinc/21/60/35/489216035.db2.gz CAJGBCVKBCQTAG-UHFFFAOYSA-N -1 3 353.276 0.943 10 0 FCAEHM O=C(NC1CC1)c1nn[n-]c1NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000297696037 489225569 /nfs/dbraw/zinc/22/55/69/489225569.db2.gz JJTYLHHSWUMJLP-VIFPVBQESA-N -1 3 358.358 0.277 10 0 FCAEHM O=C(NC1CC1)c1[n-]nnc1NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000297696037 489225571 /nfs/dbraw/zinc/22/55/71/489225571.db2.gz JJTYLHHSWUMJLP-VIFPVBQESA-N -1 3 358.358 0.277 10 0 FCAEHM O=C(NC1CC1)c1n[n-]nc1NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000297696037 489225573 /nfs/dbraw/zinc/22/55/73/489225573.db2.gz JJTYLHHSWUMJLP-VIFPVBQESA-N -1 3 358.358 0.277 10 0 FCAEHM CC[C@@](C)(CO)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000563397355 491241881 /nfs/dbraw/zinc/24/18/81/491241881.db2.gz FWEJTHSXMZLWAS-AWEZNQCLSA-N -1 3 350.387 0.768 10 0 FCAEHM Cn1cc(C(=O)NCC2CCN(C(=O)c3ccccc3)CC2)c(=O)[n-]c1=O ZINC000369564901 489253509 /nfs/dbraw/zinc/25/35/09/489253509.db2.gz PEZMKUGOICFQEC-UHFFFAOYSA-N -1 3 370.409 0.768 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[C@H](OC(F)F)C2)cn1C ZINC000555217000 491241995 /nfs/dbraw/zinc/24/19/95/491241995.db2.gz MTRWNXCHDRKUAV-JTQLQIEISA-N -1 3 366.390 0.237 10 0 FCAEHM CN(C)c1nc(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc(=O)[n-]1 ZINC000555217579 491242005 /nfs/dbraw/zinc/24/20/05/491242005.db2.gz YSJCLVRFPPNUHI-UHFFFAOYSA-N -1 3 365.415 0.751 10 0 FCAEHM COC[C@](C)(O)CC[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000563434769 491245439 /nfs/dbraw/zinc/24/54/39/491245439.db2.gz RADNIQPNOKJWJJ-CYBMUJFWSA-N -1 3 350.462 0.450 10 0 FCAEHM O=S(=O)(CCCS(=O)(=O)N1CCCO1)[N-]c1cncc(F)c1 ZINC000349467871 489292551 /nfs/dbraw/zinc/29/25/51/489292551.db2.gz ONNDACOIOLTXGY-UHFFFAOYSA-N -1 3 353.397 0.320 10 0 FCAEHM COC(=O)[C@H]1CCCN1C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000298116782 489293282 /nfs/dbraw/zinc/29/32/82/489293282.db2.gz XALVOUDLPZAAGG-CMPLNLGQSA-N -1 3 358.391 0.657 10 0 FCAEHM Cc1ncc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@H]2C2CC2)cn1 ZINC000349484631 489297584 /nfs/dbraw/zinc/29/75/84/489297584.db2.gz SONBIODHOISCMY-CQSZACIVSA-N -1 3 374.488 0.731 10 0 FCAEHM CCN1CCN(c2ccccc2NC(=O)CC[C@H]2NC(=O)[N-]C2=O)CC1 ZINC000298153302 489298307 /nfs/dbraw/zinc/29/83/07/489298307.db2.gz YIGIZWFPCLFYIG-CQSZACIVSA-N -1 3 359.430 0.755 10 0 FCAEHM Cc1n[nH]c(C)c1[N-]S(=O)(=O)CCCS(=O)(=O)N1CCCOC1 ZINC000349510146 489303572 /nfs/dbraw/zinc/30/35/72/489303572.db2.gz OMZDJPMMJSZRMD-UHFFFAOYSA-N -1 3 366.465 0.168 10 0 FCAEHM O=S(=O)(CCCS(=O)(=O)N[C@@H]1C[C@H]1C1CC1)[N-]c1ccnnc1 ZINC000349535934 489310123 /nfs/dbraw/zinc/31/01/23/489310123.db2.gz BJFDOPWESHLWCG-QWHCGFSZSA-N -1 3 360.461 0.326 10 0 FCAEHM Cc1n[nH]c(C)c1[N-]S(=O)(=O)CCCCS(=O)(=O)N1CCCC1 ZINC000349569338 489317413 /nfs/dbraw/zinc/31/74/13/489317413.db2.gz VOFLDZROYBFNEG-UHFFFAOYSA-N -1 3 364.493 0.974 10 0 FCAEHM Cc1n[nH]c(C)c1[N-]S(=O)(=O)CCCS(=O)(=O)NCC(C)C ZINC000349571740 489318648 /nfs/dbraw/zinc/31/86/48/489318648.db2.gz GRAQUPSMERVPFE-UHFFFAOYSA-N -1 3 352.482 0.734 10 0 FCAEHM CCC1(NS(=O)(=O)CCCS(=O)(=O)[N-]c2cn[nH]c2)CCC1 ZINC000349574125 489319156 /nfs/dbraw/zinc/31/91/56/489319156.db2.gz MMWFMZQJUURBSA-UHFFFAOYSA-N -1 3 350.466 0.794 10 0 FCAEHM Cc1n[nH]c(C)c1[N-]S(=O)(=O)CCCS(=O)(=O)NC1CC=CC1 ZINC000349590749 489322455 /nfs/dbraw/zinc/32/24/55/489322455.db2.gz JYMJOOMCRIHBPH-UHFFFAOYSA-N -1 3 362.477 0.796 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000298439294 489326143 /nfs/dbraw/zinc/32/61/43/489326143.db2.gz RHELXERSJLLOMP-WDEREUQCSA-N -1 3 357.407 0.216 10 0 FCAEHM CN1CC[C@@H]2OCCN(C(=O)c3ccc(F)c([N-]S(C)(=O)=O)c3)[C@@H]2C1 ZINC000285912652 489333542 /nfs/dbraw/zinc/33/35/42/489333542.db2.gz UCDZZIUYMJTBFC-CABCVRRESA-N -1 3 371.434 0.742 10 0 FCAEHM CN1CC[C@H]2OCCN(C(=O)c3ccc(F)c([N-]S(C)(=O)=O)c3)[C@@H]2C1 ZINC000285912656 489333761 /nfs/dbraw/zinc/33/37/61/489333761.db2.gz UCDZZIUYMJTBFC-HUUCEWRRSA-N -1 3 371.434 0.742 10 0 FCAEHM O=C(NCCCN1CCCC1=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000298606004 489343429 /nfs/dbraw/zinc/34/34/29/489343429.db2.gz AUGKTEMUBLOOOC-UHFFFAOYSA-N -1 3 374.441 0.872 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCC(=O)N1CCCCC1 ZINC000298748939 489359796 /nfs/dbraw/zinc/35/97/96/489359796.db2.gz FJEKTURNVYDJJO-LBPRGKRZSA-N -1 3 371.434 0.621 10 0 FCAEHM C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000298816629 489369355 /nfs/dbraw/zinc/36/93/55/489369355.db2.gz AQQVMKDMFRMUAQ-WDEREUQCSA-N -1 3 353.423 0.965 10 0 FCAEHM CNC(=O)[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000632162867 492941299 /nfs/dbraw/zinc/94/12/99/492941299.db2.gz LRPFGEQSUIQUQL-CBAPKCEASA-N -1 3 354.354 0.632 10 0 FCAEHM CCS(=O)(=O)NCC[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000286551502 489403426 /nfs/dbraw/zinc/40/34/26/489403426.db2.gz HOKCQGGXRVWMHV-UHFFFAOYSA-N -1 3 361.367 0.318 10 0 FCAEHM COc1cc(OC)c(CNC(=O)CC[C@H]2NC(=O)[N-]C2=O)c(OC)c1 ZINC000299098450 489405432 /nfs/dbraw/zinc/40/54/32/489405432.db2.gz UZDJODARAWJZHP-LLVKDONJSA-N -1 3 351.359 0.317 10 0 FCAEHM C[C@@H](CS(C)(=O)=O)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000362984610 489408976 /nfs/dbraw/zinc/40/89/76/489408976.db2.gz SQOVRYCXRNPBKS-AAEUAGOBSA-N -1 3 354.428 0.546 10 0 FCAEHM COc1ccc(NC(=O)[C@H]2CCCN2C(=O)CN2CC(=O)[N-]C2=O)cc1 ZINC000363033721 489414201 /nfs/dbraw/zinc/41/42/01/489414201.db2.gz YBEXMZVXSGOKPM-CYBMUJFWSA-N -1 3 360.370 0.177 10 0 FCAEHM O=C(NCC1(CO)CCOCC1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000370865433 489415981 /nfs/dbraw/zinc/41/59/81/489415981.db2.gz SNFHVDCSILKCRY-HNNXBMFYSA-N -1 3 362.426 0.902 10 0 FCAEHM CN1CCN(C)[C@@H](C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)C1 ZINC000286910196 489442512 /nfs/dbraw/zinc/44/25/12/489442512.db2.gz OOTDGKXFYWNBGS-JTQLQIEISA-N -1 3 352.382 0.625 10 0 FCAEHM Cc1nccn1CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000299506413 489449069 /nfs/dbraw/zinc/44/90/69/489449069.db2.gz YTEISLPYBHVDMN-NSHDSACASA-N -1 3 354.407 0.814 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)ccc1F ZINC000363365688 489457838 /nfs/dbraw/zinc/45/78/38/489457838.db2.gz QEIDNIGLMCTYPP-NDMJEZRESA-N -1 3 369.418 0.473 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000363404043 489463068 /nfs/dbraw/zinc/46/30/68/489463068.db2.gz IAWBEJSLKDAUNS-UHFFFAOYSA-N -1 3 369.381 0.994 10 0 FCAEHM Cc1ccccc1C1=CCN(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)C1 ZINC000371599838 489489964 /nfs/dbraw/zinc/48/99/64/489489964.db2.gz YUTHDJHRVRKOJY-UHFFFAOYSA-N -1 3 360.439 0.933 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-]CCc2nnc3n2CCCC3)oc1C ZINC000414454285 489499487 /nfs/dbraw/zinc/49/94/87/489499487.db2.gz AODUEVLVJKPZQF-UHFFFAOYSA-N -1 3 368.415 0.823 10 0 FCAEHM CCOc1ccncc1S(=O)(=O)[N-]C[C@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000451370731 489500980 /nfs/dbraw/zinc/50/09/80/489500980.db2.gz CVPSTNFQPMAUOH-DGCLKSJQSA-N -1 3 357.432 0.394 10 0 FCAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@H](CF)C(=O)OC ZINC000451564501 489509721 /nfs/dbraw/zinc/50/97/21/489509721.db2.gz LUAMCSVKUCKRHS-RNFRBKRXSA-N -1 3 353.290 0.301 10 0 FCAEHM COC[C@@](C)(O)CC[N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC ZINC000451660106 489514679 /nfs/dbraw/zinc/51/46/79/489514679.db2.gz PGPSQNBOOMUORN-ZDUSSCGKSA-N -1 3 367.445 0.609 10 0 FCAEHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C[C@H]1CCCCN1CCO ZINC000451668015 489516191 /nfs/dbraw/zinc/51/61/91/489516191.db2.gz KDBAKERLYCZXFN-GFCCVEGCSA-N -1 3 374.434 0.737 10 0 FCAEHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]C[C@@H]1CCCCN1CCO ZINC000451666482 489516211 /nfs/dbraw/zinc/51/62/11/489516211.db2.gz HAVZQVUQFKIMAH-LBPRGKRZSA-N -1 3 374.459 0.754 10 0 FCAEHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C[C@H]1CCCCN1CCO ZINC000451671236 489516977 /nfs/dbraw/zinc/51/69/77/489516977.db2.gz PPFTUDQYKMFSCC-CYBMUJFWSA-N -1 3 374.434 0.737 10 0 FCAEHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]C[C@@H]1CCCCN1CCO ZINC000451671271 489517192 /nfs/dbraw/zinc/51/71/92/489517192.db2.gz PTMRZGDQGQCRCR-ZDUSSCGKSA-N -1 3 374.434 0.737 10 0 FCAEHM CC[C@H]1[C@@H](CO)CCN1S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C ZINC000451728698 489520226 /nfs/dbraw/zinc/52/02/26/489520226.db2.gz TWPGHAMUXMJLDT-NEPJUHHUSA-N -1 3 362.473 0.376 10 0 FCAEHM C[C@@]1(O)C[C@H](NC(=O)c2ccc(S(=O)(=O)[N-]c3ccncc3)cc2)C1 ZINC000416282270 489576580 /nfs/dbraw/zinc/57/65/80/489576580.db2.gz LCZMNTUZHHBSRP-KDYLLFBJSA-N -1 3 361.423 0.948 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)[C@H](C)CN1CCO ZINC000416302556 489580407 /nfs/dbraw/zinc/58/04/07/489580407.db2.gz WVBBKLIONNNYGR-CHWSQXEVSA-N -1 3 355.460 0.585 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](C)N(CCO)C[C@H]2C)c(C)o1 ZINC000416314632 489582202 /nfs/dbraw/zinc/58/22/02/489582202.db2.gz SZODDXPOJWEEDJ-GHMZBOCLSA-N -1 3 359.448 0.023 10 0 FCAEHM C[C@]1(c2cccc(C(=O)N[C@@H]3CCCCC[C@@H]3C(N)=O)c2)NC(=O)[N-]C1=O ZINC000426793179 489582527 /nfs/dbraw/zinc/58/25/27/489582527.db2.gz MJJYXOBPKUZYMD-IQUTYRLHSA-N -1 3 372.425 0.905 10 0 FCAEHM CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)[N-]CC(F)(F)CO)c1 ZINC000416466595 489596896 /nfs/dbraw/zinc/59/68/96/489596896.db2.gz QXWUJHXVUBTTSS-UHFFFAOYSA-N -1 3 356.778 0.914 10 0 FCAEHM Cn1nccc1[C@H](CO)[N-]S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000416547107 489608647 /nfs/dbraw/zinc/60/86/47/489608647.db2.gz LKEPTBMAUGSKMT-JTQLQIEISA-N -1 3 373.818 0.857 10 0 FCAEHM COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000456172334 489608997 /nfs/dbraw/zinc/60/89/97/489608997.db2.gz HBNQEXUZSXMPSU-MNOVXSKESA-N -1 3 360.457 0.874 10 0 FCAEHM O=S(=O)([N-]C[C@@H](O)Cn1ccnn1)c1cc(Cl)cc(Cl)c1 ZINC000416564614 489610161 /nfs/dbraw/zinc/61/01/61/489610161.db2.gz RQBWBMDOTYBEBV-SNVBAGLBSA-N -1 3 351.215 0.924 10 0 FCAEHM Cn1cc(N2CCC[C@@H](NC(=O)CNC(=O)c3cccc([O-])c3)C2)cn1 ZINC000427505009 489612655 /nfs/dbraw/zinc/61/26/55/489612655.db2.gz GCQGCZFEJXQBIO-CQSZACIVSA-N -1 3 357.414 0.641 10 0 FCAEHM Cn1ncc(C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)c1-n1cnnc1 ZINC000427999058 489632199 /nfs/dbraw/zinc/63/21/99/489632199.db2.gz XZMKTDQYISZHEH-UHFFFAOYSA-N -1 3 368.357 0.149 10 0 FCAEHM COC[C@H]1CCCN(C(=O)CC[N-]S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000457092644 489634811 /nfs/dbraw/zinc/63/48/11/489634811.db2.gz SHVWRVFJJNVLCO-AWEZNQCLSA-N -1 3 372.491 0.672 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC[C@@]1(C)CCC(=O)N1 ZINC000457192379 489639686 /nfs/dbraw/zinc/63/96/86/489639686.db2.gz QMEZZWVEAZTCHR-ZUZCIYMTSA-N -1 3 357.407 0.277 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)N2CCO[C@H]([C@@H](C)O)C2)ccc1F ZINC000417098104 489641221 /nfs/dbraw/zinc/64/12/21/489641221.db2.gz BLCXZBXVVKGAFJ-SKDRFNHKSA-N -1 3 361.395 0.347 10 0 FCAEHM CCOC(=O)[C@H](Cc1ccccn1)[N-]S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000428421345 489647740 /nfs/dbraw/zinc/64/77/40/489647740.db2.gz JZJZDPCCFNISHO-YDHLFZDLSA-N -1 3 371.459 0.499 10 0 FCAEHM O=C(CNC(=O)[C@H]1CCCOCC1)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC000429092175 489672664 /nfs/dbraw/zinc/67/26/64/489672664.db2.gz IZLBNMRWDAUOSY-JTQLQIEISA-N -1 3 360.370 0.912 10 0 FCAEHM O=C(CNC(=O)[C@H]1CCCOCC1)Nc1cccc2c(=O)[n-][nH]c(=O)c12 ZINC000429092175 489672666 /nfs/dbraw/zinc/67/26/66/489672666.db2.gz IZLBNMRWDAUOSY-JTQLQIEISA-N -1 3 360.370 0.912 10 0 FCAEHM C[C@]1(c2ccc(CNC(=O)NC[C@H]3CCC[C@@H]3O)cc2)NC(=O)[N-]C1=O ZINC000458196079 489673566 /nfs/dbraw/zinc/67/35/66/489673566.db2.gz IEVNKKMUTXHEKL-UVBSCNOISA-N -1 3 360.414 0.701 10 0 FCAEHM COc1cc2c(cc1S(=O)(=O)NCc1ncccc1[O-])OCC(=O)N2 ZINC000429898500 489708361 /nfs/dbraw/zinc/70/83/61/489708361.db2.gz AUOZOJWOHTUNFA-UHFFFAOYSA-N -1 3 365.367 0.605 10 0 FCAEHM COC[C@](C)(O)CCNC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000458938247 489709577 /nfs/dbraw/zinc/70/95/77/489709577.db2.gz OZXHHTNRJLEUOK-GOSISDBHSA-N -1 3 365.430 0.647 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)NC[C@H](CO)c1cccnc1 ZINC000490104973 489746981 /nfs/dbraw/zinc/74/69/81/489746981.db2.gz PFURTPOLOIIPBP-CQSZACIVSA-N -1 3 368.393 0.780 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)c(CO)c2)cn1 ZINC000474242258 489748556 /nfs/dbraw/zinc/74/85/56/489748556.db2.gz KHHVPPPGIPATQY-UHFFFAOYSA-N -1 3 351.384 0.743 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc(CO)c(F)c2)cn1 ZINC000474260128 489750141 /nfs/dbraw/zinc/75/01/41/489750141.db2.gz YCULGPDJFMGJJW-UHFFFAOYSA-N -1 3 353.375 0.551 10 0 FCAEHM COCCN(C(=O)CCn1[n-]c(=O)c2ccccc2c1=O)[C@@H]1CCOC1 ZINC000490321177 489761724 /nfs/dbraw/zinc/76/17/24/489761724.db2.gz IKOCHLHCHRRDLP-CYBMUJFWSA-N -1 3 361.398 0.756 10 0 FCAEHM O=C(Nc1nnc(SCCO)[n-]1)C1CCN(C(=O)c2ccoc2)CC1 ZINC000490581506 489775685 /nfs/dbraw/zinc/77/56/85/489775685.db2.gz BGSMZUWQXVQPTG-UHFFFAOYSA-N -1 3 365.415 0.973 10 0 FCAEHM O=C(Nc1nc(SCCO)n[n-]1)C1CCN(C(=O)c2ccoc2)CC1 ZINC000490581506 489775690 /nfs/dbraw/zinc/77/56/90/489775690.db2.gz BGSMZUWQXVQPTG-UHFFFAOYSA-N -1 3 365.415 0.973 10 0 FCAEHM O=C(Nc1n[n-]c(SCCO)n1)C1CCN(C(=O)c2ccoc2)CC1 ZINC000490581506 489775693 /nfs/dbraw/zinc/77/56/93/489775693.db2.gz BGSMZUWQXVQPTG-UHFFFAOYSA-N -1 3 365.415 0.973 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C)c1ncc(Br)cn1 ZINC000431634145 489814218 /nfs/dbraw/zinc/81/42/18/489814218.db2.gz MDXVHYUFUBQNEG-YUMQZZPRSA-N -1 3 365.253 0.696 10 0 FCAEHM COC(=O)COc1ccc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)cc1Cl ZINC000492594017 489832619 /nfs/dbraw/zinc/83/26/19/489832619.db2.gz XZGJFKSYFGKUID-VIFPVBQESA-N -1 3 355.734 0.428 10 0 FCAEHM O=C(CN1CCN2C(=O)[N-]C(=O)[C@H]2C1)Nc1ccnn1CC1CCCCC1 ZINC000492686228 489834996 /nfs/dbraw/zinc/83/49/96/489834996.db2.gz YEDMIHZVLSFGEQ-CQSZACIVSA-N -1 3 374.445 0.638 10 0 FCAEHM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-][C@@](C)(c1noc(C)n1)C1CC1 ZINC000432263761 489835710 /nfs/dbraw/zinc/83/57/10/489835710.db2.gz IMWYUEVIJDEIHL-SWLSCSKDSA-N -1 3 372.447 0.865 10 0 FCAEHM CCNC(=O)[C@@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)C(C)C ZINC000432297291 489836288 /nfs/dbraw/zinc/83/62/88/489836288.db2.gz QNOKOHIFXKBXTA-ZDUSSCGKSA-N -1 3 362.473 0.529 10 0 FCAEHM C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000377052700 489844934 /nfs/dbraw/zinc/84/49/34/489844934.db2.gz PZEUQKCQHYCLEJ-PEBVRCNWSA-N -1 3 365.434 0.065 10 0 FCAEHM COC1(CO)CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000377076890 489848529 /nfs/dbraw/zinc/84/85/29/489848529.db2.gz IGBBBJLSJAUXJE-OAHLLOKOSA-N -1 3 362.426 0.997 10 0 FCAEHM NC(=O)c1ncccc1C(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000460127310 489852642 /nfs/dbraw/zinc/85/26/42/489852642.db2.gz CVKZUEDPTDBVAX-UHFFFAOYSA-N -1 3 354.366 0.484 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NC[C@@]1(CCO)CCOC1 ZINC000476310582 489879984 /nfs/dbraw/zinc/87/99/84/489879984.db2.gz OHBUGACQQXTANU-SMDDNHRTSA-N -1 3 362.473 0.320 10 0 FCAEHM COCC[C@H](COC)NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000461263398 489900754 /nfs/dbraw/zinc/90/07/54/489900754.db2.gz LXCGJGBWUIGZGZ-SECBINFHSA-N -1 3 370.880 0.848 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCNC[C@@H]1C(F)F ZINC000377567904 489921189 /nfs/dbraw/zinc/92/11/89/489921189.db2.gz QDONCTPFNNOHGR-DTWKUNHWSA-N -1 3 353.416 0.480 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCNC[C@H]1C(F)F ZINC000377567905 489921621 /nfs/dbraw/zinc/92/16/21/489921621.db2.gz QDONCTPFNNOHGR-IUCAKERBSA-N -1 3 353.416 0.480 10 0 FCAEHM C[C@H](NC(=O)c1ccco1)C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000461613191 489921997 /nfs/dbraw/zinc/92/19/97/489921997.db2.gz ZAFNLGKDAWRXSG-VIFPVBQESA-N -1 3 358.354 0.933 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)c3cccc(-n4cnnn4)c3)cc2n(C)c1=O ZINC000461626544 489923324 /nfs/dbraw/zinc/92/33/24/489923324.db2.gz MSJKAZDEZNGNHT-UHFFFAOYSA-N -1 3 365.353 0.811 10 0 FCAEHM COC(=O)C[C@@](C)(NC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1cccc(OC)c1 ZINC000495188524 489929211 /nfs/dbraw/zinc/92/92/11/489929211.db2.gz FINIPTAFPQLEFX-YVEFUNNKSA-N -1 3 363.370 0.188 10 0 FCAEHM COC(=O)C1CCN(C(=O)[C@@H](C)N2CCC(c3n[nH]c(=O)[n-]3)CC2)CC1 ZINC000377601036 489929635 /nfs/dbraw/zinc/92/96/35/489929635.db2.gz JVZHSTVNBFRVBU-LLVKDONJSA-N -1 3 365.434 0.490 10 0 FCAEHM CC(C)[C@@H]([N-]S(=O)(=O)CCCS(C)(=O)=O)C(=O)OC(C)(C)C ZINC000477098589 489942204 /nfs/dbraw/zinc/94/22/04/489942204.db2.gz IOOMIWXDYWVNAQ-LLVKDONJSA-N -1 3 357.494 0.707 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CCCS(=O)(=O)CC1 ZINC000377767565 489955329 /nfs/dbraw/zinc/95/53/29/489955329.db2.gz FMJUMCIYQZWTJE-AWEZNQCLSA-N -1 3 366.439 0.644 10 0 FCAEHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@H](O)C1(C)C ZINC000462137608 489960085 /nfs/dbraw/zinc/96/00/85/489960085.db2.gz GMRMCIKAJMGJDW-ZDUSSCGKSA-N -1 3 362.473 0.519 10 0 FCAEHM COC(=O)c1ccc(C[N-]S(=O)(=O)c2cnnn2C)nc1C1CC1 ZINC000477466210 489967360 /nfs/dbraw/zinc/96/73/60/489967360.db2.gz WTVHQAAGUCFOGR-UHFFFAOYSA-N -1 3 351.388 0.353 10 0 FCAEHM CCOC(=O)c1sc([C@H](C)[N-]S(=O)(=O)c2cnnn2C)nc1C ZINC000477563768 489973094 /nfs/dbraw/zinc/97/30/94/489973094.db2.gz ZNGPIBHTQSCMJS-QMMMGPOBSA-N -1 3 359.433 0.796 10 0 FCAEHM COC(=O)CCn1nc(C)c(CN2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1C ZINC000435045608 489978114 /nfs/dbraw/zinc/97/81/14/489978114.db2.gz ZLVIKDRIZXTBMD-QGZVFWFLSA-N -1 3 363.418 0.237 10 0 FCAEHM CCOC(=O)c1cn[n-]c1S(=O)(=O)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000462582598 489983704 /nfs/dbraw/zinc/98/37/04/489983704.db2.gz BWZYHYMCZDDSQO-UHFFFAOYSA-N -1 3 372.447 0.606 10 0 FCAEHM CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000462582598 489983708 /nfs/dbraw/zinc/98/37/08/489983708.db2.gz BWZYHYMCZDDSQO-UHFFFAOYSA-N -1 3 372.447 0.606 10 0 FCAEHM Cc1ccc(S(=O)(=O)NCC(=O)Nc2cc(-c3nccn3C)[n-]n2)cc1 ZINC000377960599 489987660 /nfs/dbraw/zinc/98/76/60/489987660.db2.gz VCZDQAHTTLKKAP-UHFFFAOYSA-N -1 3 374.426 1.036 10 0 FCAEHM Cc1ccc(S(=O)(=O)NCC(=O)Nc2cc(-c3nccn3C)n[n-]2)cc1 ZINC000377960599 489987664 /nfs/dbraw/zinc/98/76/64/489987664.db2.gz VCZDQAHTTLKKAP-UHFFFAOYSA-N -1 3 374.426 1.036 10 0 FCAEHM CNC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)C(C)C ZINC000435229397 489990105 /nfs/dbraw/zinc/99/01/05/489990105.db2.gz HFXMBPQRRIRXBR-LBPRGKRZSA-N -1 3 366.436 0.278 10 0 FCAEHM COC(=O)c1c(C2CC2)csc1[N-]C(=O)C(=O)N1CC(=O)N(C)C1 ZINC000462930898 489996607 /nfs/dbraw/zinc/99/66/07/489996607.db2.gz DHBGAIOKOQBYSL-UHFFFAOYSA-N -1 3 351.384 0.609 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N(C)Cc2cnccc2C)cn1C ZINC000477936574 489997268 /nfs/dbraw/zinc/99/72/68/489997268.db2.gz YFNKRKGGSBGYAZ-UHFFFAOYSA-N -1 3 365.459 0.759 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N(C)Cc2cnccc2C)cn1C ZINC000477925334 489997328 /nfs/dbraw/zinc/99/73/28/489997328.db2.gz UJJZRNVURPPALI-UHFFFAOYSA-N -1 3 351.432 0.369 10 0 FCAEHM CC[C@H]1NC(=O)N(c2cccc(NC(=O)CN3CC(=O)[N-]C3=O)c2)C1=O ZINC000478120258 490006198 /nfs/dbraw/zinc/00/61/98/490006198.db2.gz PETADDYSJZPQMT-LLVKDONJSA-N -1 3 359.342 0.012 10 0 FCAEHM O=C(NCCc1nnc2n1CCC2)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436617537 490009847 /nfs/dbraw/zinc/00/98/47/490009847.db2.gz OBAOEAYOXVJHHW-CQSZACIVSA-N -1 3 369.425 0.893 10 0 FCAEHM COC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])C(=O)OC ZINC000436631961 490010196 /nfs/dbraw/zinc/01/01/96/490010196.db2.gz VFCSXULJVINAQD-OLZOCXBDSA-N -1 3 350.371 0.301 10 0 FCAEHM Cn1nnc2cc(C(=O)Nc3cc4c(cc3[O-])n(C)c(=O)n4C)cnc21 ZINC000436616237 490010258 /nfs/dbraw/zinc/01/02/58/490010258.db2.gz DAICNWLMDHTJHP-UHFFFAOYSA-N -1 3 353.342 0.512 10 0 FCAEHM CCc1ccc(C(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c([O-])c1 ZINC000436813460 490013150 /nfs/dbraw/zinc/01/31/50/490013150.db2.gz OZGUCUVXBAWSET-CYBMUJFWSA-N -1 3 355.460 0.955 10 0 FCAEHM COCC[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])C(=O)OC ZINC000436827768 490013484 /nfs/dbraw/zinc/01/34/84/490013484.db2.gz GEAOVMDAQYWWAP-ZIAGYGMSSA-N -1 3 364.398 0.691 10 0 FCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000436822601 490013624 /nfs/dbraw/zinc/01/36/24/490013624.db2.gz PVBNBKJRTGTNTL-NXEZZACHSA-N -1 3 368.386 0.596 10 0 FCAEHM COc1ccsc1S(=O)(=O)[N-][C@H]1CCN(C2CCOCC2)C1=O ZINC000378161572 490020979 /nfs/dbraw/zinc/02/09/79/490020979.db2.gz RIGTYTPXPITAFC-NSHDSACASA-N -1 3 360.457 0.815 10 0 FCAEHM CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000519821047 490091299 /nfs/dbraw/zinc/09/12/99/490091299.db2.gz CTIXOWDPHCVJSQ-OGHNNQOOSA-N -1 3 358.402 0.839 10 0 FCAEHM Cc1noc(C)c1CN1CCN(C(=O)c2cc(=O)[n-]c(N(C)C)n2)CC1 ZINC000545205647 490098462 /nfs/dbraw/zinc/09/84/62/490098462.db2.gz IOZQPJITQSBGRC-UHFFFAOYSA-N -1 3 360.418 0.811 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]Cc1noc(C2CC2)n1 ZINC000479523078 490100859 /nfs/dbraw/zinc/10/08/59/490100859.db2.gz BLUFYLRDZQLOBU-UHFFFAOYSA-N -1 3 357.413 0.829 10 0 FCAEHM CS(=O)(=O)[N-]c1cc(C(=O)Nc2ccc(C(N)=O)nc2)ccc1F ZINC000479722499 490117754 /nfs/dbraw/zinc/11/77/54/490117754.db2.gz YMAMXFQOWAPGPY-UHFFFAOYSA-N -1 3 352.347 0.943 10 0 FCAEHM COCCOCCS(=O)(=O)[N-][C@H]1CCCN(c2cccnc2)C1=O ZINC000378645819 490121930 /nfs/dbraw/zinc/12/19/30/490121930.db2.gz FYRSYHBNVMXQQD-AWEZNQCLSA-N -1 3 357.432 0.159 10 0 FCAEHM C[C@H](NC(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000545435622 490134753 /nfs/dbraw/zinc/13/47/53/490134753.db2.gz SRPGRXZKEQERAF-REJLFOLJSA-N -1 3 358.398 0.885 10 0 FCAEHM NC(=O)C[C@@H]1CCCCN1C(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000497292404 490143878 /nfs/dbraw/zinc/14/38/78/490143878.db2.gz AAZSIXOVZDHTNV-NSHDSACASA-N -1 3 359.473 0.673 10 0 FCAEHM Cn1ccc(NC(=O)C[N-]S(=O)(=O)CCC2Cc3ccccc3C2)n1 ZINC000571366346 491303209 /nfs/dbraw/zinc/30/32/09/491303209.db2.gz URSOKCPSBPBOLQ-UHFFFAOYSA-N -1 3 362.455 1.083 10 0 FCAEHM COC(=O)c1cc(C(C)(C)[N-]S(=O)(=O)c2cc(C)cnc2N)no1 ZINC000564362552 491303814 /nfs/dbraw/zinc/30/38/14/491303814.db2.gz JBIHKTULFIXXPI-UHFFFAOYSA-N -1 3 354.388 0.960 10 0 FCAEHM COc1ccccc1[C@@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1ccccn1 ZINC000497513225 490169961 /nfs/dbraw/zinc/16/99/61/490169961.db2.gz ZOSMSJNECYLSDR-XJKSGUPXSA-N -1 3 354.366 0.894 10 0 FCAEHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]Cc2nnc3ccccn32)cn1 ZINC000480274323 490175590 /nfs/dbraw/zinc/17/55/90/490175590.db2.gz NFPAATARKUTUOQ-UHFFFAOYSA-N -1 3 367.412 0.006 10 0 FCAEHM C[C@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])S(C)(=O)=O ZINC000533161970 490188451 /nfs/dbraw/zinc/18/84/51/490188451.db2.gz ZIHVGXLVFVFNNO-DGCLKSJQSA-N -1 3 354.428 0.546 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000533222559 490197525 /nfs/dbraw/zinc/19/75/25/490197525.db2.gz MFWKLBZDNRMDSA-HBNTYKKESA-N -1 3 359.473 0.575 10 0 FCAEHM COC(=O)c1c(OC)ccc(S(=O)(=O)[N-]CC(F)(F)CO)c1OC ZINC000466584005 490198982 /nfs/dbraw/zinc/19/89/82/490198982.db2.gz IUNGETWUYLQNAE-UHFFFAOYSA-N -1 3 369.342 0.396 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1CCN2CCCC[C@@H]12 ZINC000408061648 490235134 /nfs/dbraw/zinc/23/51/34/490235134.db2.gz KXSVQCONBWUIOL-OLZOCXBDSA-N -1 3 358.485 0.995 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)Nc2cn(C)nc2C(C)C)cn1C ZINC000482921086 490263150 /nfs/dbraw/zinc/26/31/50/490263150.db2.gz OBGMMWQBORNVBE-UHFFFAOYSA-N -1 3 368.463 0.893 10 0 FCAEHM Cc1c[nH]c(=O)n1-c1cccc(-c2noc(C[C@@H]3NC(=O)[N-]C3=O)n2)c1 ZINC000547062081 490266838 /nfs/dbraw/zinc/26/68/38/490266838.db2.gz JADDCUQYNVEZRV-NSHDSACASA-N -1 3 354.326 0.687 10 0 FCAEHM CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCc2c(=O)[n-]cnc2C1 ZINC000408187633 490269047 /nfs/dbraw/zinc/26/90/47/490269047.db2.gz OYCVKOJKGGNDDQ-CYBMUJFWSA-N -1 3 354.432 0.271 10 0 FCAEHM C[C@@H](O)C1CCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)CC1 ZINC000408193948 490271684 /nfs/dbraw/zinc/27/16/84/490271684.db2.gz UVKSQTXCFSWPQP-MRVPVSSYSA-N -1 3 360.208 0.331 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-]CC(=O)N2CCCc3ccccc32)[C@H](C)CO1 ZINC000408237518 490281934 /nfs/dbraw/zinc/28/19/34/490281934.db2.gz OKQABQVENJWUGM-ZIAGYGMSSA-N -1 3 367.471 0.909 10 0 FCAEHM COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](CO)C[C@@H](O)C(C)(C)C ZINC000556406129 491314284 /nfs/dbraw/zinc/31/42/84/491314284.db2.gz GICATFQPHYGEGI-PSASIEDQSA-N -1 3 366.461 0.366 10 0 FCAEHM Cc1ccc(S(=O)(=O)NC2CCN(CC(=O)[O-])CC2)cc1N(C)C ZINC000547578452 490323364 /nfs/dbraw/zinc/32/33/64/490323364.db2.gz NXEUUSBCHVBWSG-UHFFFAOYSA-N -1 3 355.460 0.888 10 0 FCAEHM CNS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)CC1 ZINC000408410327 490329813 /nfs/dbraw/zinc/32/98/13/490329813.db2.gz NXTJPUDYEOVHPI-UHFFFAOYSA-N -1 3 369.443 0.328 10 0 FCAEHM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N(C)[C@H]2CCN(C3CC3)C2)c1 ZINC000467722089 490335244 /nfs/dbraw/zinc/33/52/44/490335244.db2.gz XCCDFORQJHZXKR-ZDUSSCGKSA-N -1 3 367.471 0.951 10 0 FCAEHM Cc1nc(C(=O)Nc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)c(=O)[nH]c1C ZINC000534266661 490338589 /nfs/dbraw/zinc/33/85/89/490338589.db2.gz YASKNRRHMYYXRH-QGZVFWFLSA-N -1 3 355.354 0.694 10 0 FCAEHM NC(=O)c1ccc(NC(=O)CC[N-]S(=O)(=O)c2cccs2)cn1 ZINC000534308611 490348030 /nfs/dbraw/zinc/34/80/30/490348030.db2.gz LJXAJHHNDLTTIM-UHFFFAOYSA-N -1 3 354.413 0.549 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCCN1C(=O)CCC1=O ZINC000522242379 490357961 /nfs/dbraw/zinc/35/79/61/490357961.db2.gz IYKDHDHEBASUIZ-UHFFFAOYSA-N -1 3 357.370 0.430 10 0 FCAEHM Cc1ccn(C[C@@](C)(O)C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c(=O)c1 ZINC000468326905 490387272 /nfs/dbraw/zinc/38/72/72/490387272.db2.gz PAKBYBJTRDIRGH-GOSISDBHSA-N -1 3 368.397 0.650 10 0 FCAEHM Cc1ccn(C[C@@](C)(O)C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c(=O)c1 ZINC000468326905 490387284 /nfs/dbraw/zinc/38/72/84/490387284.db2.gz PAKBYBJTRDIRGH-GOSISDBHSA-N -1 3 368.397 0.650 10 0 FCAEHM CCOC(=O)CC[C@H](C)[N-]S(=O)(=O)c1csnc1C(=O)OC ZINC000534818512 490412714 /nfs/dbraw/zinc/41/27/14/490412714.db2.gz MLDZSSWWGLQMNZ-QMMMGPOBSA-N -1 3 350.418 0.940 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1cccc(-c2cn3cccnc3n2)c1 ZINC000522936405 490420845 /nfs/dbraw/zinc/42/08/45/490420845.db2.gz APXZWSVGOSFURM-UHFFFAOYSA-N -1 3 350.338 0.887 10 0 FCAEHM COc1cc(NC(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C2CC2)nn1C ZINC000548142880 490429431 /nfs/dbraw/zinc/42/94/31/490429431.db2.gz DMNMFNWABKZIOH-UHFFFAOYSA-N -1 3 356.342 0.826 10 0 FCAEHM CCOc1cc2c(cc1[C@@H]1C[C@H]1NC(=O)C[C@@H]1NC(=O)[N-]C1=O)O[C@@H](C)C2 ZINC000535006573 490434498 /nfs/dbraw/zinc/43/44/98/490434498.db2.gz HJCKXHAFLLJUKX-VMXABPDPSA-N -1 3 373.409 0.979 10 0 FCAEHM Cc1ccc([C@H](CN2CCOCC2)NC(=O)C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000535004309 490434844 /nfs/dbraw/zinc/43/48/44/490434844.db2.gz XSXPCTCXALMFEK-GJZGRUSLSA-N -1 3 360.414 0.083 10 0 FCAEHM C[C@@H]1CN(C(=O)C(=O)[N-]c2nccn2-c2ccccc2)CCN1CCO ZINC000411374145 490442450 /nfs/dbraw/zinc/44/24/50/490442450.db2.gz KRWRZJYPDKAFHN-CQSZACIVSA-N -1 3 357.414 0.336 10 0 FCAEHM C[C@@H]1OCC[C@H]1N(CCO)C(=O)C(=O)[N-]c1nccn1-c1ccccc1 ZINC000411497492 490472792 /nfs/dbraw/zinc/47/27/92/490472792.db2.gz OGBAAIOOEVXHEC-DZGCQCFKSA-N -1 3 358.398 0.809 10 0 FCAEHM C[C@@H](CCNC(=O)CNC(=O)c1c[n-]c2ccccc2c1=O)[S@](C)=O ZINC000484891932 490475068 /nfs/dbraw/zinc/47/50/68/490475068.db2.gz ZEVZRRBOBATLMK-FTJNGKRUSA-N -1 3 363.439 0.531 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000523580609 490476688 /nfs/dbraw/zinc/47/66/88/490476688.db2.gz XVKARAZEXGNZSG-QWRGUYRKSA-N -1 3 352.188 0.973 10 0 FCAEHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000500235945 490493148 /nfs/dbraw/zinc/49/31/48/490493148.db2.gz ZBDIBSQAPKOTAX-VHSXEESVSA-N -1 3 367.427 0.894 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-]CC(=O)N2CCc3ccccc32)C[C@@H](C)O1 ZINC000523828819 490498893 /nfs/dbraw/zinc/49/88/93/490498893.db2.gz HLFDINNXWUKRLL-CHWSQXEVSA-N -1 3 353.444 0.519 10 0 FCAEHM C[C@H]1CN(S(=O)(=O)[N-]CC(=O)N2CCc3ccccc32)C[C@H](C)O1 ZINC000523828820 490499127 /nfs/dbraw/zinc/49/91/27/490499127.db2.gz HLFDINNXWUKRLL-STQMWFEESA-N -1 3 353.444 0.519 10 0 FCAEHM CN(Cc1cnccn1)C(=O)NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000524016495 490510653 /nfs/dbraw/zinc/51/06/53/490510653.db2.gz LNPVHJNBEUFDIX-GOSISDBHSA-N -1 3 368.397 0.873 10 0 FCAEHM COC(=O)c1sc2[n-]c(CN3CC[C@H](NC(N)=O)C3)nc(=O)c2c1C ZINC000535681730 490511756 /nfs/dbraw/zinc/51/17/56/490511756.db2.gz RPKUXGFFOMPPJF-QMMMGPOBSA-N -1 3 365.415 0.322 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000535725564 490517725 /nfs/dbraw/zinc/51/77/25/490517725.db2.gz FYPHCZZDRIXZSN-OCCSQVGLSA-N -1 3 358.398 0.253 10 0 FCAEHM CN(C)C(=O)C1(NC(=O)CC[N-]S(=O)(=O)c2ccccc2F)CC1 ZINC000413930169 490525421 /nfs/dbraw/zinc/52/54/21/490525421.db2.gz PIEQIMVLONUFIF-UHFFFAOYSA-N -1 3 357.407 0.231 10 0 FCAEHM Cc1ccc2c(CCNC(=O)N3CCN4C(=O)[N-]C(=O)[C@@H]4C3)cn(C)c2c1 ZINC000548693468 490530373 /nfs/dbraw/zinc/53/03/73/490530373.db2.gz MJJYYDFRLBUXCU-INIZCTEOSA-N -1 3 369.425 0.975 10 0 FCAEHM COc1nc(NC(=O)CCCNS(=O)(=O)c2ccc(F)cc2)n[n-]1 ZINC000548773363 490539605 /nfs/dbraw/zinc/53/96/05/490539605.db2.gz ZCRUZYIBKPWJNM-UHFFFAOYSA-N -1 3 357.367 0.650 10 0 FCAEHM COc1nnc(NC(=O)CCCNS(=O)(=O)c2ccc(F)cc2)[n-]1 ZINC000548773363 490539608 /nfs/dbraw/zinc/53/96/08/490539608.db2.gz ZCRUZYIBKPWJNM-UHFFFAOYSA-N -1 3 357.367 0.650 10 0 FCAEHM COc1n[n-]c(NC(=O)CCCNS(=O)(=O)c2ccc(F)cc2)n1 ZINC000548773363 490539612 /nfs/dbraw/zinc/53/96/12/490539612.db2.gz ZCRUZYIBKPWJNM-UHFFFAOYSA-N -1 3 357.367 0.650 10 0 FCAEHM Cc1cc(C)cc(CS(=O)(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000548773131 490540029 /nfs/dbraw/zinc/54/00/29/490540029.db2.gz FUYQZXZNMQNCFX-INIZCTEOSA-N -1 3 351.428 0.807 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NCc1ccc(COC2CCOCC2)cc1 ZINC000501030456 490570250 /nfs/dbraw/zinc/57/02/50/490570250.db2.gz CLGZIIMEVCGSPW-UHFFFAOYSA-N -1 3 361.398 0.550 10 0 FCAEHM CS(=O)(=O)N1CCCC[C@@H]1C[N-]S(=O)(=O)c1ccccc1F ZINC000511417197 490593636 /nfs/dbraw/zinc/59/36/36/490593636.db2.gz ZBULAIICBMDQLA-LLVKDONJSA-N -1 3 350.437 0.918 10 0 FCAEHM Cc1nnc(CN(C)CC(=O)NCCCNC(=O)c2cccc([O-])c2)n1C ZINC000525484587 490608291 /nfs/dbraw/zinc/60/82/91/490608291.db2.gz CJIFNMQUERSYPI-UHFFFAOYSA-N -1 3 374.445 0.197 10 0 FCAEHM C[C@@H]1CCCN(S(=O)(=O)Nc2ccc(C[C@H]3NC(=O)[N-]C3=O)cc2)C1 ZINC000536700561 490608610 /nfs/dbraw/zinc/60/86/10/490608610.db2.gz UUHJCBWCTVMQSW-BXUZGUMPSA-N -1 3 366.443 0.826 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)N2CCN(C(C)=O)C[C@H]2C)ccc1F ZINC000486406470 490618751 /nfs/dbraw/zinc/61/87/51/490618751.db2.gz NQQIPYCZXVBNFI-SNVBAGLBSA-N -1 3 372.422 0.818 10 0 FCAEHM CCN1CCN(CC(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)CC1 ZINC000536941328 490625014 /nfs/dbraw/zinc/62/50/14/490625014.db2.gz KOHFBYCHATUHQA-UHFFFAOYSA-N -1 3 358.439 0.773 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)nc1=N ZINC000550118950 490627268 /nfs/dbraw/zinc/62/72/68/490627268.db2.gz XRYHLDVZZKWTHW-DTWKUNHWSA-N -1 3 360.340 0.302 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)ccc1F ZINC000486517735 490642709 /nfs/dbraw/zinc/64/27/09/490642709.db2.gz LGGGLWQBRJIPAT-NXEZZACHSA-N -1 3 372.422 0.899 10 0 FCAEHM COCc1nc([C@@H]2COCCN2C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)no1 ZINC000501914710 490652680 /nfs/dbraw/zinc/65/26/80/490652680.db2.gz MNVHGLGGLQGYHM-LBPRGKRZSA-N -1 3 372.337 0.313 10 0 FCAEHM Cn1ccnc1CN1CCC[C@@H](NC(=O)NCc2ncccc2[O-])C1=O ZINC000525922377 490653595 /nfs/dbraw/zinc/65/35/95/490653595.db2.gz JPZMRTVBFYPFGR-GFCCVEGCSA-N -1 3 358.402 0.511 10 0 FCAEHM C[C@@H]1CCCCCN1S(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000512154037 490662428 /nfs/dbraw/zinc/66/24/28/490662428.db2.gz LPZISTAMCWNXJX-SNVBAGLBSA-N -1 3 352.416 0.987 10 0 FCAEHM CCn1cc(S(=O)(=O)[N-]Cc2ncccc2S(C)(=O)=O)nc1C ZINC000486854860 490676628 /nfs/dbraw/zinc/67/66/28/490676628.db2.gz RFRHVBKSKLFCMI-UHFFFAOYSA-N -1 3 358.445 0.488 10 0 FCAEHM C[C@@H]1OCC[C@H]1S(=O)(=O)NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000526943551 490686998 /nfs/dbraw/zinc/68/69/98/490686998.db2.gz RSTYVCFFHNJPTE-OWRWGESLSA-N -1 3 367.427 0.338 10 0 FCAEHM CCn1c(=O)[n-]c(=O)c2c(C(=O)NC[C@@](C)(O)CO)cc(C(C)C)nc21 ZINC000537720249 490690786 /nfs/dbraw/zinc/69/07/86/490690786.db2.gz NCQQOYKPKMZZSC-QGZVFWFLSA-N -1 3 364.402 0.114 10 0 FCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000487333247 490704917 /nfs/dbraw/zinc/70/49/17/490704917.db2.gz FVIAFRGZOIWOQV-GHMZBOCLSA-N -1 3 360.407 0.869 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)[C@H](C)[C@H](C)O1 ZINC000527327356 490717165 /nfs/dbraw/zinc/71/71/65/490717165.db2.gz VCCKVYYJQOJWAA-BBBLOLIVSA-N -1 3 368.415 0.221 10 0 FCAEHM NS(=O)(=O)c1ccc(CCNC(=O)NCc2ncccc2[O-])cc1 ZINC000527442367 490725034 /nfs/dbraw/zinc/72/50/34/490725034.db2.gz PYSMJKRGOHIJMR-UHFFFAOYSA-N -1 3 350.400 0.477 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)Nc1cnccc1CO ZINC000538606397 490740754 /nfs/dbraw/zinc/74/07/54/490740754.db2.gz PGEWCJLMGTXMHC-UHFFFAOYSA-N -1 3 355.148 0.237 10 0 FCAEHM COc1nc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n[n-]1 ZINC000538715641 490746640 /nfs/dbraw/zinc/74/66/40/490746640.db2.gz ZNBUCSPEUPRGIG-UHFFFAOYSA-N -1 3 367.387 0.087 10 0 FCAEHM COc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)[n-]1 ZINC000538715641 490746643 /nfs/dbraw/zinc/74/66/43/490746643.db2.gz ZNBUCSPEUPRGIG-UHFFFAOYSA-N -1 3 367.387 0.087 10 0 FCAEHM COc1n[n-]c(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n1 ZINC000538715641 490746646 /nfs/dbraw/zinc/74/66/46/490746646.db2.gz ZNBUCSPEUPRGIG-UHFFFAOYSA-N -1 3 367.387 0.087 10 0 FCAEHM CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)CNC(=O)c2ccc([O-])cc2)C1 ZINC000557075809 491351842 /nfs/dbraw/zinc/35/18/42/491351842.db2.gz HRAQKJUKLONFFT-CQSZACIVSA-N -1 3 369.443 0.004 10 0 FCAEHM COC(=O)c1ccccc1CC1CCN(C(=O)CN2CC(=O)[N-]C2=O)CC1 ZINC000572145626 491352061 /nfs/dbraw/zinc/35/20/61/491352061.db2.gz KGRZBEHOCQWWIG-UHFFFAOYSA-N -1 3 373.409 0.806 10 0 FCAEHM O=C1[C@@H]([N-]S(=O)(=O)c2cn3c(n2)CCCC3)CCN1C1CCOCC1 ZINC000503437282 490755997 /nfs/dbraw/zinc/75/59/97/490755997.db2.gz RJXHEGPYYLUQGH-ZDUSSCGKSA-N -1 3 368.459 0.278 10 0 FCAEHM O=C1[C@H]([N-]S(=O)(=O)c2cn3c(n2)CCCC3)CCN1C1CCOCC1 ZINC000503437281 490756434 /nfs/dbraw/zinc/75/64/34/490756434.db2.gz RJXHEGPYYLUQGH-CYBMUJFWSA-N -1 3 368.459 0.278 10 0 FCAEHM Cn1cc(N2CCC[C@@H]([N-]S(=O)(=O)c3cn4c(n3)CCCC4)C2)cn1 ZINC000503502756 490759838 /nfs/dbraw/zinc/75/98/38/490759838.db2.gz FQZAGXMOXOAQFJ-CYBMUJFWSA-N -1 3 364.475 0.900 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]CCS(=O)(=O)NC[C@@H]2CCCCO2)o1 ZINC000539108630 490762489 /nfs/dbraw/zinc/76/24/89/490762489.db2.gz KUIUQRCPTBDWHV-LBPRGKRZSA-N -1 3 366.461 0.355 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CSC[C@H]1C(=O)Nc1ccc(F)cc1 ZINC000539120612 490763644 /nfs/dbraw/zinc/76/36/44/490763644.db2.gz DPIIRLVJNFZSON-QWRGUYRKSA-N -1 3 366.374 0.264 10 0 FCAEHM CC(=O)N1CC[C@@H](CNC(=O)CC[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000565099689 491353489 /nfs/dbraw/zinc/35/34/89/491353489.db2.gz MYODCGFKTXGNNA-ZDUSSCGKSA-N -1 3 371.434 0.479 10 0 FCAEHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]C[C@H]3CC[C@@H](C(=O)N(C)C)O3)cn21 ZINC000557110198 491353800 /nfs/dbraw/zinc/35/38/00/491353800.db2.gz NGAFFHBPEGJHSP-UPJWGTAASA-N -1 3 370.475 0.695 10 0 FCAEHM CCc1nnc(CNC(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)o1 ZINC000503702657 490772312 /nfs/dbraw/zinc/77/23/12/490772312.db2.gz UYJYTWHDMDZQEY-UHFFFAOYSA-N -1 3 355.354 0.520 10 0 FCAEHM CCn1ncc(C[N-]S(=O)(=O)c2ccc(CCNC(C)=O)s2)n1 ZINC000528444301 490798155 /nfs/dbraw/zinc/79/81/55/490798155.db2.gz AJYGCDWGAJYYMK-UHFFFAOYSA-N -1 3 357.461 0.517 10 0 FCAEHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]C[C@@H](O)[C@@H]2CCCO2)s1 ZINC000528482704 490802361 /nfs/dbraw/zinc/80/23/61/490802361.db2.gz CXAQPTJGRBPXIU-OLZOCXBDSA-N -1 3 362.473 0.245 10 0 FCAEHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]C[C@H](O)[C@H]2CCCO2)s1 ZINC000528494846 490803821 /nfs/dbraw/zinc/80/38/21/490803821.db2.gz XWJMFVQGJXAEAK-ADEWGFFLSA-N -1 3 362.473 0.763 10 0 FCAEHM CC(C)(C[N-]S(=O)(=O)c1cnn2c1OCCC2)C(=O)N1CCCC1 ZINC000528562514 490809731 /nfs/dbraw/zinc/80/97/31/490809731.db2.gz ZQDLNXHZGRWARW-UHFFFAOYSA-N -1 3 356.448 0.593 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)c2ccc(Cn3ccnn3)cc2)nc1=N ZINC000529264924 490846700 /nfs/dbraw/zinc/84/67/00/490846700.db2.gz IORMUOLUHAKJCO-CQSZACIVSA-N -1 3 352.402 0.845 10 0 FCAEHM O=C(NCCCn1ccnn1)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000541372818 490860170 /nfs/dbraw/zinc/86/01/70/490860170.db2.gz APMJKWJHSXXQOP-UHFFFAOYSA-N -1 3 358.402 0.541 10 0 FCAEHM CC[C@@H]([N-]S(=O)(=O)CCC(C)(C)S(C)(=O)=O)[C@@H](O)C(F)F ZINC000565233962 491362304 /nfs/dbraw/zinc/36/23/04/491362304.db2.gz BCHFTAWJYJGBNN-RKDXNWHRSA-N -1 3 351.437 0.524 10 0 FCAEHM COc1cc(C(=O)NC[C@@]2(CO)COCC3(CCC3)N2C)ccc1[O-] ZINC000529754101 490873519 /nfs/dbraw/zinc/87/35/19/490873519.db2.gz VDXWDXPEXORHMF-GOSISDBHSA-N -1 3 350.415 0.746 10 0 FCAEHM CCC(C)(C)OC1CN(C(=O)C[N-]S(=O)(=O)c2cn(C)c(C)n2)C1 ZINC000529811189 490878084 /nfs/dbraw/zinc/87/80/84/490878084.db2.gz WIISRBUAYVYSNW-UHFFFAOYSA-N -1 3 358.464 0.423 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1ccc(Cl)c(CN2CCOCC2)c1 ZINC000516842268 490880321 /nfs/dbraw/zinc/88/03/21/490880321.db2.gz WECIZTDXODPGNO-UHFFFAOYSA-N -1 3 366.805 0.663 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC(C)(N3CCOCC3)CC2)co1 ZINC000529910234 490881221 /nfs/dbraw/zinc/88/12/21/490881221.db2.gz BMOCWHIGWYELFL-UHFFFAOYSA-N -1 3 371.459 0.515 10 0 FCAEHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@]2(C(=O)OC)CCOC2)c1 ZINC000542046848 490883079 /nfs/dbraw/zinc/88/30/79/490883079.db2.gz UTFMQPCISPHZIW-AWEZNQCLSA-N -1 3 361.347 0.223 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000542122585 490886478 /nfs/dbraw/zinc/88/64/78/490886478.db2.gz JACZMJNWKKOCSQ-GFCCVEGCSA-N -1 3 367.431 0.494 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCN(Cc3nccn3C)C2=O)o1 ZINC000542123431 490886755 /nfs/dbraw/zinc/88/67/55/490886755.db2.gz TYPCUTBDMOAROL-GFCCVEGCSA-N -1 3 352.416 0.791 10 0 FCAEHM CNC(=O)NC[C@@H]1CN(C(=O)c2c[n-]c3c(C)cc(C)cc3c2=O)CCO1 ZINC000530273766 490897251 /nfs/dbraw/zinc/89/72/51/490897251.db2.gz NGXKXRDBIGQOPH-CYBMUJFWSA-N -1 3 372.425 0.915 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2cc(C(N)=O)co2)c(F)c1 ZINC000530322492 490898814 /nfs/dbraw/zinc/89/88/14/490898814.db2.gz PQZXUTANCVLKEB-UHFFFAOYSA-N -1 3 356.331 0.783 10 0 FCAEHM Cn1ccnc1CN1CCC[C@@H]([N-]S(=O)(=O)C[C@H]2CCCO2)C1=O ZINC000517257467 490902016 /nfs/dbraw/zinc/90/20/16/490902016.db2.gz QNLWJLWEDZTWFY-CHWSQXEVSA-N -1 3 356.448 0.010 10 0 FCAEHM O=C(N[C@@H]1CNC(=O)C1)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000542637650 490902705 /nfs/dbraw/zinc/90/27/05/490902705.db2.gz PMJPSZNGYJTUKA-VIFPVBQESA-N -1 3 366.374 0.573 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(N)=O)C2)c(F)c1 ZINC000530431206 490905335 /nfs/dbraw/zinc/90/53/35/490905335.db2.gz WVJKOUJKORIWDC-MWLCHTKSSA-N -1 3 358.391 0.935 10 0 FCAEHM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)C[C@H]1C(=O)[O-] ZINC000517371339 490906017 /nfs/dbraw/zinc/90/60/17/490906017.db2.gz RRAKXANDNAIXEA-RBSFLKMASA-N -1 3 351.447 0.642 10 0 FCAEHM O=c1[n-]c(=O)n(Cc2nnc(C3CC3)o2)cc1I ZINC000565241770 491363950 /nfs/dbraw/zinc/36/39/50/491363950.db2.gz IVTKZGFGJSAJDK-UHFFFAOYSA-N -1 3 360.111 0.862 10 0 FCAEHM O=C(CNC(=O)c1ccc([O-])cc1)N1CCCC[C@H]1CN1CCOCC1 ZINC000530882035 490929690 /nfs/dbraw/zinc/92/96/90/490929690.db2.gz VVTJYEAYRPJSPJ-INIZCTEOSA-N -1 3 361.442 0.835 10 0 FCAEHM CS(=O)(=O)c1cccnc1CNC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000518282185 490935645 /nfs/dbraw/zinc/93/56/45/490935645.db2.gz UROUQKMCAOCQKN-UHFFFAOYSA-N -1 3 363.395 0.237 10 0 FCAEHM CCc1nc(C[N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)cs1 ZINC000518620032 490947494 /nfs/dbraw/zinc/94/74/94/490947494.db2.gz MHBSHTADCONRSI-UHFFFAOYSA-N -1 3 361.470 0.831 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@@H](CCO)c1ccccc1Br ZINC000543835541 490948993 /nfs/dbraw/zinc/94/89/93/490948993.db2.gz XHEBMXKBKDIKDQ-NSHDSACASA-N -1 3 370.203 0.541 10 0 FCAEHM C[C@H](C[N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C)CN1CCN(C)CC1 ZINC000519528462 490974188 /nfs/dbraw/zinc/97/41/88/490974188.db2.gz PAAGNLZFSFUZSD-HUUCEWRRSA-N -1 3 369.535 0.942 10 0 FCAEHM O=C(NCc1ccc(Cn2ccnc2)cc1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000544776514 490980506 /nfs/dbraw/zinc/98/05/06/490980506.db2.gz UHOWRVGSMFLKCA-HNNXBMFYSA-N -1 3 368.397 0.377 10 0 FCAEHM CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cnc(CC2CC2)nc1 ZINC000569517227 491165333 /nfs/dbraw/zinc/16/53/33/491165333.db2.gz QMGWPPNZWYHABH-UHFFFAOYSA-N -1 3 362.477 0.452 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)c2ccnc(N3CCCCC3)n2)nc1=N ZINC000565367591 491372767 /nfs/dbraw/zinc/37/27/67/491372767.db2.gz GQSITJVWQHNQNI-ZDUSSCGKSA-N -1 3 356.434 0.985 10 0 FCAEHM C[C@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1)N1CCC(C)CC1 ZINC000572643098 491384167 /nfs/dbraw/zinc/38/41/67/491384167.db2.gz JLYQUELNKKJDLQ-KFWWJZLASA-N -1 3 353.463 0.792 10 0 FCAEHM COCCN1CCC[C@@H]1C[N-]S(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000557813097 491398996 /nfs/dbraw/zinc/39/89/96/491398996.db2.gz PTXWAQRBYUSBDJ-LLVKDONJSA-N -1 3 362.477 0.491 10 0 FCAEHM Cc1cc(C)c2[n-]cc(C(=O)N3CCn4nnc(CO)c4C3)c(=O)c2c1 ZINC000572899790 491400590 /nfs/dbraw/zinc/40/05/90/491400590.db2.gz LSODTATYLJYARZ-UHFFFAOYSA-N -1 3 353.382 0.885 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H](CO)[C@H]1CCCOC1 ZINC000573022093 491407861 /nfs/dbraw/zinc/40/78/61/491407861.db2.gz SREFCTTUNIMWQR-NWDGAFQWSA-N -1 3 363.457 0.156 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)CN2c3ccccc3OCC2=O)nc1=N ZINC000559262210 491459404 /nfs/dbraw/zinc/45/94/04/491459404.db2.gz KJCPICWRBVJQAJ-GFCCVEGCSA-N -1 3 356.386 0.317 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1C(F)(F)F)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000566907497 491474209 /nfs/dbraw/zinc/47/42/09/491474209.db2.gz DXMDLRNMYQWJNO-WOFXILAISA-N -1 3 364.345 0.745 10 0 FCAEHM Cn1nccc1CC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000567316903 491499184 /nfs/dbraw/zinc/49/91/84/491499184.db2.gz CHFASOQNHPUFKT-UHFFFAOYSA-N -1 3 374.825 0.850 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]c1cccc([C@]2(C)NC(=O)NC2=O)c1)C1CC1 ZINC000575749250 491558303 /nfs/dbraw/zinc/55/83/03/491558303.db2.gz YJRDBBFDOYZSBM-BBRMVZONSA-N -1 3 367.427 0.908 10 0 FCAEHM CCCc1noc(Cn2cc(I)c(=O)[n-]c2=O)n1 ZINC000577411318 491620518 /nfs/dbraw/zinc/62/05/18/491620518.db2.gz IQJUWIDOXAORFT-UHFFFAOYSA-N -1 3 362.127 0.937 10 0 FCAEHM C[C@H]1CCCc2nc(S(=O)(=O)[N-]CCCn3cc(CO)nn3)cn21 ZINC000568262446 491563468 /nfs/dbraw/zinc/56/34/68/491563468.db2.gz OGWQFKJLORUDMI-NSHDSACASA-N -1 3 354.436 0.233 10 0 FCAEHM Cc1nn2cc(S(=O)(=O)[N-][C@H](CO)c3ccnn3C)cnc2c1Cl ZINC000584421786 491590271 /nfs/dbraw/zinc/59/02/71/491590271.db2.gz DIBBLPQITDKDCJ-SNVBAGLBSA-N -1 3 370.822 0.437 10 0 FCAEHM Cn1cc(NC(=O)c2cc3c(nc2[O-])CC(C)(C)CC3=O)c(=O)n(C)c1=O ZINC000577123226 491592803 /nfs/dbraw/zinc/59/28/03/491592803.db2.gz FSSYSEIIJVRURW-UHFFFAOYSA-N -1 3 372.381 0.592 10 0 FCAEHM CNC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000577146438 491595539 /nfs/dbraw/zinc/59/55/39/491595539.db2.gz BQDKGPBXGMCOFE-MNOVXSKESA-N -1 3 358.416 0.876 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](c2ccccc2F)[C@@H](C)O)cn1 ZINC000576353899 491607457 /nfs/dbraw/zinc/60/74/57/491607457.db2.gz JVOVAYSXPDOSAL-BMIGLBTASA-N -1 3 367.402 0.981 10 0 FCAEHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](CO)c1ccnn1C ZINC000576527922 491622795 /nfs/dbraw/zinc/62/27/95/491622795.db2.gz BUWLHQDGTMKYKO-LLVKDONJSA-N -1 3 357.363 0.358 10 0 FCAEHM CC[C@H](CS(=O)(=O)[N-]C[C@@H]1CS(=O)(=O)c2ccccc2O1)OC ZINC000569099735 491633581 /nfs/dbraw/zinc/63/35/81/491633581.db2.gz OEUJFJZJMJWSON-VXGBXAGGSA-N -1 3 363.457 0.566 10 0 FCAEHM CN(C)S(=O)(=O)C[C@@H](NC(=O)NCc1ncccc1[O-])C(F)(F)F ZINC000561890776 491638567 /nfs/dbraw/zinc/63/85/67/491638567.db2.gz KPADUBOXXARPQK-SNVBAGLBSA-N -1 3 370.353 0.409 10 0 FCAEHM COC(=O)CCS(=O)(=O)[N-]c1ccccc1-n1ccc(C(N)=O)n1 ZINC000569416725 491660626 /nfs/dbraw/zinc/66/06/26/491660626.db2.gz CKVWEVCPSNTROF-UHFFFAOYSA-N -1 3 352.372 0.276 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)N1CCOC[C@H]1CC(F)F ZINC000578584895 491680237 /nfs/dbraw/zinc/68/02/37/491680237.db2.gz JABQUFXFSZOXGQ-SNVBAGLBSA-N -1 3 366.361 0.987 10 0 FCAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@H](CO)c1ccnn1C ZINC000579259134 491694236 /nfs/dbraw/zinc/69/42/36/491694236.db2.gz LNMAMMYPNXVOAA-PSASIEDQSA-N -1 3 373.353 0.257 10 0 FCAEHM CN(CC(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O)c1nc2ccccc2s1 ZINC000579314411 491695184 /nfs/dbraw/zinc/69/51/84/491695184.db2.gz LETUGMAPTZUGBX-KRWDZBQOSA-N -1 3 373.438 0.933 10 0 FCAEHM C[C@@](O)(CO)CNC(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000579379792 491696985 /nfs/dbraw/zinc/69/69/85/491696985.db2.gz JWBIDFBDPOFBLP-AWEZNQCLSA-N -1 3 360.288 0.900 10 0 FCAEHM NS(=O)(=O)c1cccc(-c2ccc([C@@H](O)CO)cc2)c1-c1nnn[n-]1 ZINC000584611711 491709011 /nfs/dbraw/zinc/70/90/11/491709011.db2.gz QRUSDNQCTDTOQC-LBPRGKRZSA-N -1 3 361.383 0.207 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)NCc2ccc(Cl)o2)cn1C ZINC000586749206 491731349 /nfs/dbraw/zinc/73/13/49/491731349.db2.gz XAQWDSZDRSCVLJ-UHFFFAOYSA-N -1 3 360.823 0.960 10 0 FCAEHM CN1CCC[C@H](NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000586754186 491731785 /nfs/dbraw/zinc/73/17/85/491731785.db2.gz XWMKDVJNYNZGCG-VIFPVBQESA-N -1 3 351.881 0.890 10 0 FCAEHM C[C@@H]1CCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2N)C[C@H]1C(=O)OC(C)(C)C ZINC000581075972 491758263 /nfs/dbraw/zinc/75/82/63/491758263.db2.gz WEMFKSGYRQJDGA-RKDXNWHRSA-N -1 3 352.391 0.910 10 0 FCAEHM C[C@H](O)[C@H]([N-]S(=O)(=O)CCCS(C)(=O)=O)c1ccccc1F ZINC000581135606 491760836 /nfs/dbraw/zinc/76/08/36/491760836.db2.gz INIQQWXBFGEYFZ-GWCFXTLKSA-N -1 3 353.437 0.602 10 0 FCAEHM Cc1nnnn1-c1ccc(C(=O)N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)c(F)c1 ZINC000581196500 491763406 /nfs/dbraw/zinc/76/34/06/491763406.db2.gz VWRAOKKXAYIHTH-CYBMUJFWSA-N -1 3 371.380 0.628 10 0 FCAEHM CCOC(=O)c1cc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)n[n-]1 ZINC000589845326 491766340 /nfs/dbraw/zinc/76/63/40/491766340.db2.gz NFOCEYWDZVBKPY-SECBINFHSA-N -1 3 356.338 1.210 10 0 FCAEHM CCOC(=O)c1cc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)[n-]n1 ZINC000589845326 491766341 /nfs/dbraw/zinc/76/63/41/491766341.db2.gz NFOCEYWDZVBKPY-SECBINFHSA-N -1 3 356.338 1.210 10 0 FCAEHM O=C(c1ccccc1)N1CC(S(=O)(=O)[N-][C@H]2CCCC(F)(F)[C@@H]2O)C1 ZINC000582051419 491795532 /nfs/dbraw/zinc/79/55/32/491795532.db2.gz STKDAGRFGFVDQR-UONOGXRCSA-N -1 3 374.409 0.979 10 0 FCAEHM NC(=O)[C@H](C[N-]S(=O)(=O)c1cncc(F)c1)Cc1ccc(F)cc1 ZINC000591395708 491804841 /nfs/dbraw/zinc/80/48/41/491804841.db2.gz MUGHILUBLZNQRF-NSHDSACASA-N -1 3 355.366 0.982 10 0 FCAEHM CS[C@H](CO)[C@@H](C)[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000592041316 491828976 /nfs/dbraw/zinc/82/89/76/491828976.db2.gz GFBCOBWQTDCVAK-NXEZZACHSA-N -1 3 350.462 0.681 10 0 FCAEHM CS[C@@H](CO)[C@H](C)[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000592041318 491829044 /nfs/dbraw/zinc/82/90/44/491829044.db2.gz GFBCOBWQTDCVAK-UWVGGRQHSA-N -1 3 350.462 0.681 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)NC[C@@H](CO)c1cccnc1 ZINC000582627456 491820467 /nfs/dbraw/zinc/82/04/67/491820467.db2.gz TZCWPOPUKMSNST-ZDUSSCGKSA-N -1 3 369.468 0.704 10 0 FCAEHM COC(=O)c1nscc1S(=O)(=O)[N-]CC(C)(C)[C@]1(O)CCOC1 ZINC000592086478 491831379 /nfs/dbraw/zinc/83/13/79/491831379.db2.gz JNSRIQTZQHUGLR-ZDUSSCGKSA-N -1 3 364.445 0.386 10 0 FCAEHM COC(=O)[C@@H]([N-]S(=O)(=O)N1CCc2ccccc2C1)c1ccnn1C ZINC000592089838 491831428 /nfs/dbraw/zinc/83/14/28/491831428.db2.gz ATNHPEZFBHEXEO-HNNXBMFYSA-N -1 3 364.427 0.527 10 0 FCAEHM CCN(Cc1ccccc1)S(=O)(=O)[N-][C@@H](C(=O)OC)c1ccnn1C ZINC000592091912 491831705 /nfs/dbraw/zinc/83/17/05/491831705.db2.gz MODSYGQSITYHAW-OAHLLOKOSA-N -1 3 366.443 0.991 10 0 FCAEHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(N(C)C)cc1)c1ccnn1C ZINC000592094625 491831955 /nfs/dbraw/zinc/83/19/55/491831955.db2.gz XSEXAXYUHBWEIK-AWEZNQCLSA-N -1 3 352.416 0.679 10 0 FCAEHM COC(=O)CNC(=O)C[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000584088121 491858226 /nfs/dbraw/zinc/85/82/26/491858226.db2.gz UWQWSCDJHGLYGE-UHFFFAOYSA-N -1 3 352.771 0.355 10 0 FCAEHM COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@H](CO)c1ccnn1C ZINC000584242626 491861459 /nfs/dbraw/zinc/86/14/59/491861459.db2.gz AOGNJXBLXWQALN-GFCCVEGCSA-N -1 3 373.406 0.596 10 0 FCAEHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H]2CC[C@H](C)S(=O)(=O)C2)c1 ZINC000594848961 491866645 /nfs/dbraw/zinc/86/66/45/491866645.db2.gz HHUSCTZJXNPVIH-WCBMZHEXSA-N -1 3 367.470 0.779 10 0 FCAEHM O=C(c1ccc2[nH]c(=O)n(C3CC3)c2c1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000611957102 491885305 /nfs/dbraw/zinc/88/53/05/491885305.db2.gz UHWYIHRQTWMAAZ-ZDUSSCGKSA-N -1 3 355.354 0.453 10 0 FCAEHM CCN1C[C@@H](S(=O)(=O)[N-][C@@H](CC(=O)OC)c2cccs2)CC1=O ZINC000601297894 491902220 /nfs/dbraw/zinc/90/22/20/491902220.db2.gz GBLGVAPMUBHXBM-QWRGUYRKSA-N -1 3 360.457 0.893 10 0 FCAEHM O=C(c1cnc2n1CCOC2)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000612378141 491912814 /nfs/dbraw/zinc/91/28/14/491912814.db2.gz TWCQAUXEZHFHIU-UHFFFAOYSA-N -1 3 356.382 0.717 10 0 FCAEHM CCOC(=O)[C@@]1(C[N-]S(=O)(=O)C[C@H](OC)C(C)C)CCCOC1 ZINC000601512928 491930144 /nfs/dbraw/zinc/93/01/44/491930144.db2.gz DZZCADBPMSKOQX-DZGCQCFKSA-N -1 3 351.465 0.937 10 0 FCAEHM COC(=O)CCN1CCC[C@@H](N2CCC[C@@H](c3n[n-]c(=O)o3)C2)C1=O ZINC000595472925 491934501 /nfs/dbraw/zinc/93/45/01/491934501.db2.gz IRYARZYSWBKMAH-VXGBXAGGSA-N -1 3 352.391 0.509 10 0 FCAEHM O=C(CN1CCN(C2CC2)C1=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000612740212 491948231 /nfs/dbraw/zinc/94/82/31/491948231.db2.gz ZXTCLSUMNNBWGC-UHFFFAOYSA-N -1 3 372.472 0.043 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N(C)CCN1CCCC1=O ZINC000602835475 491999922 /nfs/dbraw/zinc/99/99/22/491999922.db2.gz HLFSBWJMQKVEID-LBPRGKRZSA-N -1 3 371.434 0.573 10 0 FCAEHM Cc1nc(NC(=O)c2cc(C(F)(F)F)n[n-]2)c(C(=O)NCCO)n1C ZINC000613983963 492008132 /nfs/dbraw/zinc/00/81/32/492008132.db2.gz ZARCZIZDFXWRHT-UHFFFAOYSA-N -1 3 360.296 0.445 10 0 FCAEHM Cc1nc(NC(=O)c2cc(C(F)(F)F)[n-]n2)c(C(=O)NCCO)n1C ZINC000613983963 492008133 /nfs/dbraw/zinc/00/81/33/492008133.db2.gz ZARCZIZDFXWRHT-UHFFFAOYSA-N -1 3 360.296 0.445 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)N1CC[C@H](N2CCC2)[C@@H](F)C1 ZINC000614108876 492015416 /nfs/dbraw/zinc/01/54/16/492015416.db2.gz XFGRXIHZSLDAOY-KBPBESRZSA-N -1 3 373.425 0.749 10 0 FCAEHM O=C([C@@H]1OCCO[C@@H]1c1ccccc1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000614199856 492019356 /nfs/dbraw/zinc/01/93/56/492019356.db2.gz VLZMHRVRELCFGV-HBUWYVDXSA-N -1 3 359.382 0.344 10 0 FCAEHM COc1cccc(S([O-])=CC(=O)N2CCC[C@](O)(CN(C)C)C2)c1 ZINC000597586740 492049794 /nfs/dbraw/zinc/04/97/94/492049794.db2.gz PHMFIPKSUDZJMR-XDHUDOTRSA-N -1 3 354.472 0.718 10 0 FCAEHM C[C@H](NC(=O)c1cnc2n1CCOC2)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614824597 492057613 /nfs/dbraw/zinc/05/76/13/492057613.db2.gz WBPTUEWKFYSGJY-QWRGUYRKSA-N -1 3 359.386 0.907 10 0 FCAEHM C[C@@H](NC(=O)COCc1nccn1C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614823262 492057635 /nfs/dbraw/zinc/05/76/35/492057635.db2.gz DROVXPFJRMDCDP-NWDGAFQWSA-N -1 3 361.402 0.817 10 0 FCAEHM COc1cc(F)ccc1N1CCN(C(=O)CC[C@@H]2NC(=O)[N-]C2=O)CC1 ZINC000604354270 492057832 /nfs/dbraw/zinc/05/78/32/492057832.db2.gz OZYFUTJPOXWYOW-LBPRGKRZSA-N -1 3 364.377 0.471 10 0 FCAEHM O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)c1cc(=O)c2ccccc2[n-]1 ZINC000604371022 492058579 /nfs/dbraw/zinc/05/85/79/492058579.db2.gz GPQCSYFPBDUVNF-OAHLLOKOSA-N -1 3 370.453 0.664 10 0 FCAEHM CCCN1C(=O)CC[C@@H](C(=O)[N-]c2nnc3[nH]cnn23)[C@@H]1c1cncn1C ZINC000614994882 492068340 /nfs/dbraw/zinc/06/83/40/492068340.db2.gz VLWRJVDZYUWJKF-ZWNOBZJWSA-N -1 3 371.405 0.514 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[C@H]2C(F)(F)F)cn1C ZINC000615032862 492069788 /nfs/dbraw/zinc/06/97/88/492069788.db2.gz JSOYBGQVSPQAMX-VIFPVBQESA-N -1 3 354.354 0.560 10 0 FCAEHM COC[C@@]1(C(=O)OC)CCCN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000597959077 492075104 /nfs/dbraw/zinc/07/51/04/492075104.db2.gz UAAIMMKLMVIRHE-MRXNPFEDSA-N -1 3 370.427 0.852 10 0 FCAEHM COC(=O)C12CC(C1)CN2C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000598059673 492082479 /nfs/dbraw/zinc/08/24/79/492082479.db2.gz RVELLNJZUYLCQC-UHFFFAOYSA-N -1 3 356.375 0.975 10 0 FCAEHM COC(=O)C[C@@H](CNC(=O)C[N-]S(=O)(=O)c1ccccc1F)C1CC1 ZINC000598263661 492091366 /nfs/dbraw/zinc/09/13/66/492091366.db2.gz MBKYIMLLNJZRHA-LBPRGKRZSA-N -1 3 372.418 0.810 10 0 FCAEHM COC(=O)C[C@H](CNC(=O)C[N-]S(=O)(=O)c1cccs1)C1CC1 ZINC000598266382 492092016 /nfs/dbraw/zinc/09/20/16/492092016.db2.gz WLVLIEGXLWLPLD-LLVKDONJSA-N -1 3 360.457 0.732 10 0 FCAEHM COC(=O)[C@@](C)(CCF)NC(=O)C[N-]S(=O)(=O)c1ccccc1F ZINC000598278570 492092443 /nfs/dbraw/zinc/09/24/43/492092443.db2.gz HPTIVXUZCQXMQA-CQSZACIVSA-N -1 3 364.370 0.512 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)[n-]1 ZINC000615916590 492107032 /nfs/dbraw/zinc/10/70/32/492107032.db2.gz FOCVIFHNPPWMSX-CYBMUJFWSA-N -1 3 371.397 0.646 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)c2ccc(-n3cncn3)cc2C)[n-]1 ZINC000615919515 492107952 /nfs/dbraw/zinc/10/79/52/492107952.db2.gz AQFBEBPDAYICKY-UHFFFAOYSA-N -1 3 355.358 0.801 10 0 FCAEHM CN(C)S(=O)(=O)N(C)CC(=O)NCc1ccc([O-])c2ncccc12 ZINC000616023214 492114862 /nfs/dbraw/zinc/11/48/62/492114862.db2.gz PNJGDCAXDJPDOJ-UHFFFAOYSA-N -1 3 352.416 0.295 10 0 FCAEHM O=C(NCc1ccc([O-])c2ncccc12)C1(n2cnnn2)CCOCC1 ZINC000616020365 492115026 /nfs/dbraw/zinc/11/50/26/492115026.db2.gz LURRQSSOHIDLBY-UHFFFAOYSA-N -1 3 354.370 0.749 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)[C@H]2CSCN2C(=O)[C@@H](C)CC)[n-]1 ZINC000616030166 492115231 /nfs/dbraw/zinc/11/52/31/492115231.db2.gz VXHWWWQNELPDSA-VHSXEESVSA-N -1 3 369.447 0.545 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)CNC(=O)c2cc(C)cc(C)c2)[n-]1 ZINC000616028677 492115299 /nfs/dbraw/zinc/11/52/99/492115299.db2.gz NEBJEJNZKJRELE-UHFFFAOYSA-N -1 3 359.386 0.644 10 0 FCAEHM CCOC(=O)Cn1cnc([N-]C(=O)c2cc(N3CCCCC3)ncn2)n1 ZINC000598741426 492116145 /nfs/dbraw/zinc/11/61/45/492116145.db2.gz FUZVBKSYTVYIMJ-UHFFFAOYSA-N -1 3 359.390 0.874 10 0 FCAEHM COC(=O)C[C@H](CNC(=O)C[N-]S(=O)(=O)c1c(C)noc1C)C1CC1 ZINC000598772464 492117397 /nfs/dbraw/zinc/11/73/97/492117397.db2.gz BFMGZMHNXZPIIT-GFCCVEGCSA-N -1 3 373.431 0.275 10 0 FCAEHM C[C@@]1(c2ccc(NC(=O)C3C[C@@H]4COC[C@H](C3)C4=O)cc2)NC(=O)[N-]C1=O ZINC000606833021 492130376 /nfs/dbraw/zinc/13/03/76/492130376.db2.gz QJCUTGWFKUQLPY-SDAJVRHXSA-N -1 3 371.393 0.921 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@H]2CCc3nc(C)nn3C2)on1 ZINC000599231150 492146156 /nfs/dbraw/zinc/14/61/56/492146156.db2.gz VKHPHZNOWYXMBU-JTQLQIEISA-N -1 3 369.403 0.186 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]C[C@H](CO)Cc2ccco2)on1 ZINC000599237745 492146904 /nfs/dbraw/zinc/14/69/04/492146904.db2.gz DOOVNUNSQZXQDO-LLVKDONJSA-N -1 3 372.399 0.715 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@@H](c1ccccc1)C1(CO)CCOCC1 ZINC000616900532 492147688 /nfs/dbraw/zinc/14/76/88/492147688.db2.gz DMABACDYTYBETG-INIZCTEOSA-N -1 3 361.398 0.185 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@H]2c3ccccc3C[C@H]2O)on1 ZINC000599246243 492148566 /nfs/dbraw/zinc/14/85/66/492148566.db2.gz ZUCLGNRAPZYEQP-CABCVRRESA-N -1 3 366.395 0.929 10 0 FCAEHM CCNC(=O)N1CC[C@@H]([N-]S(=O)(=O)Cc2cc(C(=O)OCC)no2)C1 ZINC000599258178 492150155 /nfs/dbraw/zinc/15/01/55/492150155.db2.gz SRRLHWXRSPGDNC-SNVBAGLBSA-N -1 3 374.419 0.075 10 0 FCAEHM CCNC(=O)C1(C[N-]S(=O)(=O)Cc2cc(C(=O)OCC)no2)CCC1 ZINC000599298222 492156646 /nfs/dbraw/zinc/15/66/46/492156646.db2.gz VYPXQUXJJJPUKB-UHFFFAOYSA-N -1 3 373.431 0.577 10 0 FCAEHM CO[C@H](CNC(=O)CCn1[n-]c(=O)c2ccccc2c1=O)[C@@H]1CCOC1 ZINC000617151521 492157429 /nfs/dbraw/zinc/15/74/29/492157429.db2.gz ZWPCFVXWMMMNLP-IUODEOHRSA-N -1 3 361.398 0.660 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NCCCC(=O)Nc1ccc(Cl)cc1 ZINC000599322545 492159943 /nfs/dbraw/zinc/15/99/43/492159943.db2.gz FYCLUOGTQOYQPE-UHFFFAOYSA-N -1 3 352.778 0.727 10 0 FCAEHM CCCNC(=O)CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000617332984 492164707 /nfs/dbraw/zinc/16/47/07/492164707.db2.gz OFCQWKOOIDSWHW-NSHDSACASA-N -1 3 359.423 0.525 10 0 FCAEHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H](O)[C@H]1CCCO1 ZINC000599392315 492167160 /nfs/dbraw/zinc/16/71/60/492167160.db2.gz QPLPAVAGKBKNCG-VXGBXAGGSA-N -1 3 363.819 0.945 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](O)[C@H]2CCCO2)c(Cl)c1 ZINC000599392495 492167417 /nfs/dbraw/zinc/16/74/17/492167417.db2.gz UOHRSYBIROBIIU-VXGBXAGGSA-N -1 3 363.819 0.945 10 0 FCAEHM COC(=O)[C@H](Cc1cccc(OC)c1)[N-]S(=O)(=O)c1cn(C)cn1 ZINC000599405537 492168852 /nfs/dbraw/zinc/16/88/52/492168852.db2.gz YIPHOUJBEVFRII-ZDUSSCGKSA-N -1 3 353.400 0.491 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1ccc(-c2cn3cccnc3n2)cc1 ZINC000599404217 492168857 /nfs/dbraw/zinc/16/88/57/492168857.db2.gz ZBQGPRDTZNJDIK-UHFFFAOYSA-N -1 3 350.338 0.887 10 0 FCAEHM COC[C@H](C)CS(=O)(=O)[N-][C@@H](Cc1cccc(OC)c1)C(=O)OC ZINC000599404412 492169110 /nfs/dbraw/zinc/16/91/10/492169110.db2.gz VDRSKYQNORVDMS-WFASDCNBSA-N -1 3 359.444 0.981 10 0 FCAEHM CO[C@@H]1CCC[C@H]([C@@H](CO)NC(=O)CNC(=O)c2cccc([O-])c2)C1 ZINC000617538031 492175099 /nfs/dbraw/zinc/17/50/99/492175099.db2.gz XRLAIJKHOMZRKZ-APHBMKBZSA-N -1 3 350.415 0.804 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](CO)[C@@H]2CCC[C@H](OC)C2)cn1 ZINC000617536698 492175179 /nfs/dbraw/zinc/17/51/79/492175179.db2.gz HCHKXSBJAWUEGS-KWCYVHTRSA-N -1 3 371.459 0.286 10 0 FCAEHM CCn1cc(S(=O)(=O)[N-][C@@H](C[C@@H]2CCCOC2)C(=O)OC)nc1C ZINC000599457832 492175495 /nfs/dbraw/zinc/17/54/95/492175495.db2.gz WKLVKZRCEQZNII-STQMWFEESA-N -1 3 359.448 0.848 10 0 FCAEHM COC(=O)[C@H](C[C@@H]1CCCOC1)[N-]S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000599459037 492175916 /nfs/dbraw/zinc/17/59/16/492175916.db2.gz BMPYLDARPMWSAI-MQYQWHSLSA-N -1 3 364.464 0.288 10 0 FCAEHM CCOC(=O)CCS(=O)(=O)[N-][C@@H](C[C@H]1CCCOC1)C(=O)OC ZINC000599460695 492176133 /nfs/dbraw/zinc/17/61/33/492176133.db2.gz OYQOZEAJXBBUNR-NEPJUHHUSA-N -1 3 351.421 0.217 10 0 FCAEHM O=C(Cc1ccc(Br)cc1[O-])NC[C@@]1(OCCO)CCOC1 ZINC000617707245 492181168 /nfs/dbraw/zinc/18/11/68/492181168.db2.gz HBOCDQWXNYPORL-HNNXBMFYSA-N -1 3 374.231 0.981 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)N1CC[C@H](O)C(F)(F)C1 ZINC000617818902 492193992 /nfs/dbraw/zinc/19/39/92/492193992.db2.gz VDQRETQCOQBPEW-NSHDSACASA-N -1 3 352.334 0.333 10 0 FCAEHM COCc1n[nH]c(CNC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)n1 ZINC000617938071 492205709 /nfs/dbraw/zinc/20/57/09/492205709.db2.gz LQFIJFJYVYJEDX-UHFFFAOYSA-N -1 3 371.419 0.551 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(C(=O)c3cnc(NC)cn3)CC2)n[n-]1 ZINC000599831417 492211368 /nfs/dbraw/zinc/21/13/68/492211368.db2.gz UIZKGHGZQNVHKY-UHFFFAOYSA-N -1 3 359.390 0.833 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(C(=O)c3cnc(NC)cn3)CC2)[n-]1 ZINC000599831417 492211370 /nfs/dbraw/zinc/21/13/70/492211370.db2.gz UIZKGHGZQNVHKY-UHFFFAOYSA-N -1 3 359.390 0.833 10 0 FCAEHM C[C@]1(c2ccc(C(=O)NCCO[C@H]3CC3(F)F)cc2)NC(=O)[N-]C1=O ZINC000618130310 492211499 /nfs/dbraw/zinc/21/14/99/492211499.db2.gz KJARPYUQZUNKIC-XHDPSFHLSA-N -1 3 353.325 0.895 10 0 FCAEHM CCOC(=O)[C@H](Cc1ccncc1)NC(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000618244481 492219049 /nfs/dbraw/zinc/21/90/49/492219049.db2.gz ZTEHGZBMWWYYQO-ZDUSSCGKSA-N -1 3 359.386 0.547 10 0 FCAEHM COC(=O)[C@H](NC(=O)CNC(=O)c1c[n-]c2ccccc2c1=O)C(C)(C)C ZINC000609835017 492223869 /nfs/dbraw/zinc/22/38/69/492223869.db2.gz PJHVTUGODIUBSQ-INIZCTEOSA-N -1 3 373.409 0.962 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)NC[C@@H]2CCC[C@@H](C)O2)cn1C ZINC000618576664 492231944 /nfs/dbraw/zinc/23/19/44/492231944.db2.gz PMTIYICSQHYGLR-YPMHNXCESA-N -1 3 358.464 0.471 10 0 FCAEHM C[C@@H]1CCC[C@H](CNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)O1 ZINC000618571292 492231949 /nfs/dbraw/zinc/23/19/49/492231949.db2.gz ZACXLYJBUIFIFJ-RKDXNWHRSA-N -1 3 360.208 0.785 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1C[C@@H]2COC[C@@]2(C)C1 ZINC000618712540 492236341 /nfs/dbraw/zinc/23/63/41/492236341.db2.gz PPZACJZOPZQNAO-HWWQOWPSSA-N -1 3 356.419 0.987 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)Nc2ccc3c(c2)CCOC3)cn1C ZINC000618838648 492241557 /nfs/dbraw/zinc/24/15/57/492241557.db2.gz JSDQGFNQTNJNFF-UHFFFAOYSA-N -1 3 364.427 0.718 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)N[C@@H]1C[C@@H](O)C12CCC2 ZINC000619085135 492249733 /nfs/dbraw/zinc/24/97/33/492249733.db2.gz AZXZCHGLWSNWJA-HUUCEWRRSA-N -1 3 355.394 0.678 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)N[C@H]1C[C@@H](O)C12CCC2 ZINC000619092804 492250092 /nfs/dbraw/zinc/25/00/92/492250092.db2.gz FISYMFTUBHVPDC-UONOGXRCSA-N -1 3 356.419 0.914 10 0 FCAEHM COc1ccc2c(c1)N(C(=O)C[N-]S(=O)(=O)c1cn(C)cn1)CCC2 ZINC000619937412 492283016 /nfs/dbraw/zinc/28/30/16/492283016.db2.gz LIPMVDXYGWHWCG-UHFFFAOYSA-N -1 3 364.427 0.686 10 0 FCAEHM O=C(NC[C@@]1(CO)COCCN1Cc1ccccc1)c1csc(=O)[n-]1 ZINC000619943813 492284180 /nfs/dbraw/zinc/28/41/80/492284180.db2.gz HJFDLELGZWHFCO-QGZVFWFLSA-N -1 3 363.439 0.842 10 0 FCAEHM O=C(NCCN1C[C@H]2CCCCN2C1=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000620101602 492288298 /nfs/dbraw/zinc/28/82/98/492288298.db2.gz QKNRQIYETUBIPA-GFCCVEGCSA-N -1 3 356.382 0.590 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCC2(COC2)C1 ZINC000620295653 492302489 /nfs/dbraw/zinc/30/24/89/492302489.db2.gz UTBBJTOCRIWNDB-UHFFFAOYSA-N -1 3 350.849 0.929 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N1CCc2nccnc2C1 ZINC000620424749 492309211 /nfs/dbraw/zinc/30/92/11/492309211.db2.gz LHAVIMGXMMIQHS-UHFFFAOYSA-N -1 3 351.366 0.867 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C[C@H](C)NC(N)=O)cc1OC ZINC000654556725 492320664 /nfs/dbraw/zinc/32/06/64/492320664.db2.gz UQNHQNPGKZNMON-VIFPVBQESA-N -1 3 358.420 0.842 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)N1CCO[C@H](C(F)F)CC1 ZINC000634155529 492322465 /nfs/dbraw/zinc/32/24/65/492322465.db2.gz ZCGCSCLYGDRKIW-NSHDSACASA-N -1 3 366.361 0.987 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@@H](C(F)F)CC2)c(C)o1 ZINC000634159341 492323457 /nfs/dbraw/zinc/32/34/57/492323457.db2.gz HSZYBVZBDNSNIY-SNVBAGLBSA-N -1 3 352.359 0.992 10 0 FCAEHM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000647591553 492329351 /nfs/dbraw/zinc/32/93/51/492329351.db2.gz CNWGYGXXFOTROY-QLFBSQMISA-N -1 3 351.447 0.833 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)NC1COC1 ZINC000634255838 492330846 /nfs/dbraw/zinc/33/08/46/492330846.db2.gz VGXQWANQHHXGPP-UHFFFAOYSA-N -1 3 355.235 0.304 10 0 FCAEHM O=C(NC1CN(c2ccncn2)C1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000634452606 492343140 /nfs/dbraw/zinc/34/31/40/492343140.db2.gz AAPGAKVCYNLMGK-OAHLLOKOSA-N -1 3 367.409 0.792 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)NC[C@@H]2CN3CCN2CCC3)c([O-])c1 ZINC000647678984 492344025 /nfs/dbraw/zinc/34/40/25/492344025.db2.gz INAHEVNHAJWDEL-OAHLLOKOSA-N -1 3 360.458 0.327 10 0 FCAEHM Cc1ncccc1OC[C@@H]1CCCN1Cc1cc(=O)n2nc(N)[n-]c2n1 ZINC000621302485 492373056 /nfs/dbraw/zinc/37/30/56/492373056.db2.gz FGXBYLRTLBPPKC-ZDUSSCGKSA-N -1 3 355.402 0.577 10 0 FCAEHM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655298386 492428496 /nfs/dbraw/zinc/42/84/96/492428496.db2.gz IFRRUSWGOBSWSD-UONOGXRCSA-N -1 3 359.430 0.262 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N3CCCc4cccnc43)cnc21 ZINC000655620569 492465394 /nfs/dbraw/zinc/46/53/94/492465394.db2.gz MNDQZRKSDFCLIT-UHFFFAOYSA-N -1 3 373.394 0.571 10 0 FCAEHM C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000649070768 492489170 /nfs/dbraw/zinc/48/91/70/492489170.db2.gz UYYYZYXKLJBGSY-ZDUSSCGKSA-N -1 3 357.414 0.770 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCOC3(CCN(C)CC3)C2)o1 ZINC000649134056 492503411 /nfs/dbraw/zinc/50/34/11/492503411.db2.gz KOHCSUKZGBFIMY-UHFFFAOYSA-N -1 3 357.432 0.125 10 0 FCAEHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1C[C@H](O)[C@@H](O)C1 ZINC000628525499 492505680 /nfs/dbraw/zinc/50/56/80/492505680.db2.gz KWMXYTVWDMCCER-RYUDHWBXSA-N -1 3 353.172 0.468 10 0 FCAEHM C[C@H]1C(=O)N(C)CN1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000649159544 492507159 /nfs/dbraw/zinc/50/71/59/492507159.db2.gz PYNCGPGJFHOBBC-ZETCQYMHSA-N -1 3 351.837 0.326 10 0 FCAEHM CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656012720 492516151 /nfs/dbraw/zinc/51/61/51/492516151.db2.gz HKYBZHAALGSHML-YIYPIFLZSA-N -1 3 353.463 0.839 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC[C@H](O)[C@@H]1CCCO1 ZINC000628594032 492527685 /nfs/dbraw/zinc/52/76/85/492527685.db2.gz YWPDSRTVTOXSHG-DRZSPHRISA-N -1 3 360.407 0.149 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@H]1c2ccccc2CN(C)C1=O)[C@H]1CCOC1 ZINC000623240612 492532646 /nfs/dbraw/zinc/53/26/46/492532646.db2.gz PVPWKHLAAHPYJJ-IMJJTQAJSA-N -1 3 368.455 0.671 10 0 FCAEHM CC1(C)CC(=O)CCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC000628689202 492535700 /nfs/dbraw/zinc/53/57/00/492535700.db2.gz ZTZRUWPRUQUKKH-UHFFFAOYSA-N -1 3 372.219 0.929 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N[C@@H]1Cc2cncn2C1 ZINC000623269969 492536010 /nfs/dbraw/zinc/53/60/10/492536010.db2.gz XFDXMOBMLBFXEL-MRVPVSSYSA-N -1 3 360.848 0.617 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccc(F)c(F)c1)N[C@@H]1Cc2cncn2C1 ZINC000623280325 492537928 /nfs/dbraw/zinc/53/79/28/492537928.db2.gz UCPLDIFRKGDTDE-SNVBAGLBSA-N -1 3 370.381 0.571 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N[C@@H]2CO[C@@H](C3CC3)C2)cn1C ZINC000629137172 492580122 /nfs/dbraw/zinc/58/01/22/492580122.db2.gz KPMFMDBZKNUGFO-QWHCGFSZSA-N -1 3 356.448 0.081 10 0 FCAEHM CNS(=O)(=O)C[C@@H]1CCCN(Cc2c([O-])nnn2-c2ccccc2)C1 ZINC000629180725 492584969 /nfs/dbraw/zinc/58/49/69/492584969.db2.gz QFQKGCPONCNEPS-CYBMUJFWSA-N -1 3 365.459 0.734 10 0 FCAEHM C[C@@H](Sc1nc2c(cnn2C)c(=O)[n-]1)C(=O)N(C)CC(=O)NC1CC1 ZINC000629216729 492592471 /nfs/dbraw/zinc/59/24/71/492592471.db2.gz KFDJCHQZILPDQQ-MRVPVSSYSA-N -1 3 364.431 0.287 10 0 FCAEHM O=C(NCC[C@]1(O)CCOC1)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000650109126 492614661 /nfs/dbraw/zinc/61/46/61/492614661.db2.gz LZPKIXCNJXUKJM-GUYCJALGSA-N -1 3 362.386 0.100 10 0 FCAEHM O=C(CC[C@@H]1NC(=O)[N-]C1=O)N1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000629383302 492617475 /nfs/dbraw/zinc/61/74/75/492617475.db2.gz CQKHDWBOQVJTQB-INIZCTEOSA-N -1 3 369.425 0.800 10 0 FCAEHM O=C(CC[C@H]1NC(=O)[N-]C1=O)N1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000629383312 492618677 /nfs/dbraw/zinc/61/86/77/492618677.db2.gz CQKHDWBOQVJTQB-MRXNPFEDSA-N -1 3 369.425 0.800 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]c1ccn(C2CCN(C)CC2)n1)[C@@H]1CCOC1 ZINC000656628214 492639085 /nfs/dbraw/zinc/63/90/85/492639085.db2.gz LRZRPVMMQDYVIH-HIFRSBDPSA-N -1 3 372.491 0.943 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]c1cc(-n2cnnn2)ccc1C)[C@H]1CCOC1 ZINC000656732894 492647657 /nfs/dbraw/zinc/64/76/57/492647657.db2.gz YHHVJSIXQWMJMA-WFASDCNBSA-N -1 3 367.431 0.764 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]c2cncc3c2CCCC3)c(=O)n(C)c1=O ZINC000656736353 492648197 /nfs/dbraw/zinc/64/81/97/492648197.db2.gz ASBVIHHYDFWBLQ-UHFFFAOYSA-N -1 3 350.400 0.159 10 0 FCAEHM C[C@]1(C[C@H]2CCCN2C(=O)C[C@H](O)Cc2ccccc2)NC(=O)[N-]C1=O ZINC000644127264 492650834 /nfs/dbraw/zinc/65/08/34/492650834.db2.gz LQWYXEDVLBMJQO-SPYBWZPUSA-N -1 3 359.426 0.959 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]Cc1nncn1-c1ccccc1)[C@@H]1CCOC1 ZINC000656874084 492657115 /nfs/dbraw/zinc/65/71/15/492657115.db2.gz PZHZOPCMIVFSNQ-UKRRQHHQSA-N -1 3 366.443 0.738 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CC(Cc3cccs3)C2)cn1C ZINC000629623674 492660311 /nfs/dbraw/zinc/66/03/11/492660311.db2.gz QFQZBLAXLNRRED-UHFFFAOYSA-N -1 3 368.484 0.769 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000629760369 492665097 /nfs/dbraw/zinc/66/50/97/492665097.db2.gz ZPLGCWOFNZXCJV-JVUFJMBOSA-N -1 3 358.192 0.083 10 0 FCAEHM CC(C)C[C@H](NS(=O)(=O)c1ccccc1[O-])C(=O)NCCN(C)C ZINC000656947118 492676391 /nfs/dbraw/zinc/67/63/91/492676391.db2.gz ZSTVXWSVQRVJAC-ZDUSSCGKSA-N -1 3 357.476 0.763 10 0 FCAEHM CCc1nn(C)c(OC)c1C[N-]S(=O)(=O)C[C@H](OC)[C@H]1CCOC1 ZINC000656950148 492676810 /nfs/dbraw/zinc/67/68/10/492676810.db2.gz DBTKIGKSPKEFRW-FZMZJTMJSA-N -1 3 361.464 0.462 10 0 FCAEHM CCc1nn(C)c(OC)c1C[N-]S(=O)(=O)C[C@@H](OC)[C@H]1CCOC1 ZINC000656950152 492676988 /nfs/dbraw/zinc/67/69/88/492676988.db2.gz DBTKIGKSPKEFRW-SMDDNHRTSA-N -1 3 361.464 0.462 10 0 FCAEHM COC1CCN(S(=O)(=O)[N-][C@@H]2CCCN(c3cccnc3)C2=O)CC1 ZINC000656955727 492677914 /nfs/dbraw/zinc/67/79/14/492677914.db2.gz JTCTVQNMJKHNKI-OAHLLOKOSA-N -1 3 368.459 0.522 10 0 FCAEHM CCO[C@H](CS(=O)(=O)[N-]Cc1ccc(S(N)(=O)=O)s1)C1CC1 ZINC000624798900 492685635 /nfs/dbraw/zinc/68/56/35/492685635.db2.gz QIQCZPOXXLFQOE-LLVKDONJSA-N -1 3 368.502 0.630 10 0 FCAEHM O=C(NCc1ncccc1[O-])NC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000624929717 492697956 /nfs/dbraw/zinc/69/79/56/492697956.db2.gz GEIWMCASRYOMLX-OAHLLOKOSA-N -1 3 357.414 0.882 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](CO)C2CCC2)cc1F ZINC000657055774 492705546 /nfs/dbraw/zinc/70/55/46/492705546.db2.gz JGIFHCPWQJKXKQ-CYBMUJFWSA-N -1 3 366.436 0.637 10 0 FCAEHM C[C@]1(c2cccc(C(=O)N[C@@H]3CCN(C4CCC4)C3=O)c2)NC(=O)[N-]C1=O ZINC000629926550 492705742 /nfs/dbraw/zinc/70/57/42/492705742.db2.gz SZRVHADDFDYFCC-AUUYWEPGSA-N -1 3 370.409 0.624 10 0 FCAEHM CCO[C@@H](CS(=O)(=O)[N-][C@H]1CCN(c2cc(C)nn2C)C1=O)C1CC1 ZINC000625026629 492711728 /nfs/dbraw/zinc/71/17/28/492711728.db2.gz FTWNPQFLBKAJNZ-KBPBESRZSA-N -1 3 370.475 0.568 10 0 FCAEHM O=S(=O)([N-]C[C@]1(OCCO)CCOC1)c1ccc(Cl)c(F)c1 ZINC000657085990 492712241 /nfs/dbraw/zinc/71/22/41/492712241.db2.gz JYAMCRFOQYPTPB-CYBMUJFWSA-N -1 3 353.799 0.925 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]C[C@@]1(OCCO)CCOC1)C1CCCC1 ZINC000657091717 492715686 /nfs/dbraw/zinc/71/56/86/492715686.db2.gz TYERFBOVEDLANQ-CABCVRRESA-N -1 3 351.465 0.279 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-][C@H]2CC(=O)N(c3ccc(OC)cc3)C2)c1 ZINC000657097589 492717167 /nfs/dbraw/zinc/71/71/67/492717167.db2.gz HXZUXEIUXYQLJS-LBPRGKRZSA-N -1 3 364.427 0.995 10 0 FCAEHM CO[C@@H]1CS(=O)(=O)C[C@@H]1[N-]S(=O)(=O)CC1Cc2ccccc2C1 ZINC000657101146 492720053 /nfs/dbraw/zinc/72/00/53/492720053.db2.gz QJUGZWIJTACWTC-LSDHHAIUSA-N -1 3 359.469 0.133 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-][C@@H](CO)c1cnn(C)c1)c1ccc(F)cc1 ZINC000625096753 492723811 /nfs/dbraw/zinc/72/38/11/492723811.db2.gz RUUYYQGTJZQADT-GJZGRUSLSA-N -1 3 357.407 0.900 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-][C@@H](C(N)=O)c2ccc(F)cc2)CCOCC1 ZINC000625126118 492727923 /nfs/dbraw/zinc/72/79/23/492727923.db2.gz OAGMYFRCZOPNEW-CQSZACIVSA-N -1 3 374.434 0.857 10 0 FCAEHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H]2CC[C@@H](C)S(=O)(=O)C2)s1 ZINC000657138231 492731144 /nfs/dbraw/zinc/73/11/44/492731144.db2.gz VGWYIFGVKPRJAQ-APPZFPTMSA-N -1 3 367.474 0.346 10 0 FCAEHM O=S(=O)([N-]C1CC1)c1ccccc1S(=O)(=O)N1CC[C@@]2(O)C[C@H]2C1 ZINC000657165999 492735871 /nfs/dbraw/zinc/73/58/71/492735871.db2.gz XOIXTAKQAJPMBO-XHDPSFHLSA-N -1 3 372.468 0.273 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]Cc2nc(C(N)=O)cs2)coc1C(=O)N(C)C ZINC000657177544 492737045 /nfs/dbraw/zinc/73/70/45/492737045.db2.gz JEGXZFQSFFWVFL-UHFFFAOYSA-N -1 3 372.428 0.324 10 0 FCAEHM CCN1CC[C@@H]([N-]S(=O)(=O)C[C@H](Cc2ccc(F)cc2)OC)C1=O ZINC000625195117 492737750 /nfs/dbraw/zinc/73/77/50/492737750.db2.gz XDWICNYVPJYGLO-LSDHHAIUSA-N -1 3 358.435 0.923 10 0 FCAEHM CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-][C@@H]1CCC(=O)N(C)C1=O ZINC000625257672 492746837 /nfs/dbraw/zinc/74/68/37/492746837.db2.gz IBBXKBWSWYFPFZ-ZIAGYGMSSA-N -1 3 372.418 0.450 10 0 FCAEHM O=S(=O)([N-][C@@H]1CCN(c2ccc3nncn3n2)C1)c1cscn1 ZINC000625420621 492778876 /nfs/dbraw/zinc/77/88/76/492778876.db2.gz HEVJBPAQPJUBSX-SECBINFHSA-N -1 3 351.417 0.138 10 0 FCAEHM CCCCN1CCCC[C@H]1CNC(=O)C(=O)N=c1ncn(C(C)C)[n-]1 ZINC000651575229 492785023 /nfs/dbraw/zinc/78/50/23/492785023.db2.gz VGBDHLLEVSVRRT-AWEZNQCLSA-N -1 3 350.467 0.990 10 0 FCAEHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)CC2(OC)CCOCC2)[C@]12CCCO2 ZINC000651642467 492798305 /nfs/dbraw/zinc/79/83/05/492798305.db2.gz XMZICNIJDMJGOJ-IIAWOOMASA-N -1 3 363.476 0.828 10 0 FCAEHM COC1(CS(=O)(=O)[N-]CC2(S(C)(=O)=O)CCC2)CCOCC1 ZINC000651683105 492806159 /nfs/dbraw/zinc/80/61/59/492806159.db2.gz QJXQKIVYVNEYJH-UHFFFAOYSA-N -1 3 355.478 0.069 10 0 FCAEHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)CC2(OC)CCOCC2)[C@H]1n1cccn1 ZINC000651720969 492812820 /nfs/dbraw/zinc/81/28/20/492812820.db2.gz PKUMOFXDARAOAQ-RBSFLKMASA-N -1 3 373.475 0.717 10 0 FCAEHM CC1(C(=O)C[N-]S(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)CCCC1 ZINC000625550447 492817645 /nfs/dbraw/zinc/81/76/45/492817645.db2.gz YBUWURMJRFFAFD-GFCCVEGCSA-N -1 3 351.490 0.880 10 0 FCAEHM O=S(=O)([N-]C[C@]1(CO)CCc2ccccc21)c1cnn2c1OCCC2 ZINC000651787336 492823227 /nfs/dbraw/zinc/82/32/27/492823227.db2.gz NVZCYQYGLKWQQC-KRWDZBQOSA-N -1 3 363.439 0.820 10 0 FCAEHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H]2C[C@@H](C(N)=O)C2)cc1Cl ZINC000651837935 492830628 /nfs/dbraw/zinc/83/06/28/492830628.db2.gz XNRNHWFTVNQLHM-OCAPTIKFSA-N -1 3 363.798 0.980 10 0 FCAEHM CCN(CC)CCS(=O)(=O)[N-]CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000625617847 492840199 /nfs/dbraw/zinc/84/01/99/492840199.db2.gz ORSVCKUIEVTZEZ-UHFFFAOYSA-N -1 3 371.459 0.658 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]CC(=O)Nc2ccc3c(c2)OCCO3)c1 ZINC000625618334 492840694 /nfs/dbraw/zinc/84/06/94/492840694.db2.gz YIRTURVFWBDOKE-UHFFFAOYSA-N -1 3 366.399 0.591 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]C[C@H]2CN(Cc3ccncc3)CCO2)cn1C ZINC000625621040 492843410 /nfs/dbraw/zinc/84/34/10/492843410.db2.gz VKDOUNHITQXQOS-HNNXBMFYSA-N -1 3 365.459 0.303 10 0 FCAEHM CN(C)S(=O)(=O)N1CC([N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000625625497 492846724 /nfs/dbraw/zinc/84/67/24/492846724.db2.gz ZDWFVTRABDKYOU-UHFFFAOYSA-N -1 3 359.882 0.170 10 0 FCAEHM C[C@@H](CN1CCOCC1)[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000631752546 492847517 /nfs/dbraw/zinc/84/75/17/492847517.db2.gz NCOZLFBWJDXPQD-VIFPVBQESA-N -1 3 356.370 0.438 10 0 FCAEHM O=C([N-]c1nccn1-c1ccccc1)C(=O)N1CC[C@H](Cn2ccnn2)C1 ZINC000658231578 492853085 /nfs/dbraw/zinc/85/30/85/492853085.db2.gz VRAUZESMITVTJZ-AWEZNQCLSA-N -1 3 365.397 0.951 10 0 FCAEHM CO[C@H]1C[C@@H](CNS(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)C1 ZINC000625667092 492855737 /nfs/dbraw/zinc/85/57/37/492855737.db2.gz NUWABSIDYXIVDK-AOOOYVTPSA-N -1 3 366.436 0.901 10 0 FCAEHM CO[C@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)C1 ZINC000625666014 492855751 /nfs/dbraw/zinc/85/57/51/492855751.db2.gz GORRUOFYIJUIAQ-JGZJWPJOSA-N -1 3 362.835 0.907 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)nc1=N ZINC000651979166 492857497 /nfs/dbraw/zinc/85/74/97/492857497.db2.gz ACBZMCCAIWEHQI-JSGCOSHPSA-N -1 3 369.429 0.335 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)nc1=N ZINC000651979168 492857633 /nfs/dbraw/zinc/85/76/33/492857633.db2.gz ACBZMCCAIWEHQI-TZMCWYRMSA-N -1 3 369.429 0.335 10 0 FCAEHM CCc1cccc(NC(=O)C[N-]S(=O)(=O)[C@H]2CC(=O)N(CC)C2)c1 ZINC000631872999 492867375 /nfs/dbraw/zinc/86/73/75/492867375.db2.gz JVWWUZQTUIXRAD-AWEZNQCLSA-N -1 3 353.444 0.728 10 0 FCAEHM O=C(C[N-]S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1)N1CCc2ccccc21 ZINC000631879580 492868594 /nfs/dbraw/zinc/86/85/94/492868594.db2.gz BEEMFRJLHKOAJE-AWEZNQCLSA-N -1 3 363.439 0.258 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C)[C@H](C)N1CCOCC1 ZINC000631906171 492874899 /nfs/dbraw/zinc/87/48/99/492874899.db2.gz FOQXKHQNDJWZGO-UWVGGRQHSA-N -1 3 370.397 0.826 10 0 FCAEHM C[C@@H]1C(=O)N(C)CN1C(=O)NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000645244461 492882768 /nfs/dbraw/zinc/88/27/68/492882768.db2.gz ASDSOCFHRMYYGM-QGHHPUGFSA-N -1 3 359.386 0.071 10 0 FCAEHM O=C1[C@@H]([N-]S(=O)(=O)C[C@H]2CNCCO2)CCN1c1ccc(Cl)cc1 ZINC000631922456 492885847 /nfs/dbraw/zinc/88/58/47/492885847.db2.gz XDHOLINYTTYWEI-KGLIPLIRSA-N -1 3 373.862 0.353 10 0 FCAEHM CN(C)C(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)CC1(N(C)C)CC1 ZINC000631930670 492890109 /nfs/dbraw/zinc/89/01/09/492890109.db2.gz ULDNIGJNPLLJHM-HNNXBMFYSA-N -1 3 353.488 0.700 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]CCOC[C@H]1CCOC1 ZINC000631935505 492891429 /nfs/dbraw/zinc/89/14/29/492891429.db2.gz VVKXHKPZBRJPEY-VIFPVBQESA-N -1 3 357.354 0.770 10 0 FCAEHM O=C1C[C@H](S(=O)(=O)[N-][C@@H]2CCN(c3ccccc3)C2=O)CN1C1CC1 ZINC000631934492 492891648 /nfs/dbraw/zinc/89/16/48/492891648.db2.gz CIXHXOYSWAFTSB-LSDHHAIUSA-N -1 3 363.439 0.475 10 0 FCAEHM CN1CCO[C@H](CS(=O)(=O)[N-][C@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000631969969 492901046 /nfs/dbraw/zinc/90/10/46/492901046.db2.gz PAKULFLVGNOECZ-HOTGVXAUSA-N -1 3 367.471 0.432 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-][C@H](C(N)=O)c1ccccc1)C1CCOCC1 ZINC000645448406 492907257 /nfs/dbraw/zinc/90/72/57/492907257.db2.gz CXVOFUBDLXSHCQ-GJZGRUSLSA-N -1 3 356.444 0.574 10 0 FCAEHM C[C@@H]1C[C@H]([N-]S(=O)(=O)C[C@@H]2CN(C)CCO2)C(=O)N1c1ccccc1 ZINC000632037397 492916380 /nfs/dbraw/zinc/91/63/80/492916380.db2.gz VPWZMEDGUWQESK-KBMXLJTQSA-N -1 3 367.471 0.430 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]CC(=O)Nc1ccccc1)C1CCOCC1 ZINC000645510447 492917501 /nfs/dbraw/zinc/91/75/01/492917501.db2.gz XMKOPMZHDBBHPF-HNNXBMFYSA-N -1 3 356.444 0.986 10 0 FCAEHM Cc1cc(N2CC[C@H]([N-]S(=O)(=O)C[C@H]3CCC3(F)F)C2=O)n(C)n1 ZINC000632041595 492917776 /nfs/dbraw/zinc/91/77/76/492917776.db2.gz QMVYJXMINLCDNY-MNOVXSKESA-N -1 3 362.402 0.799 10 0 FCAEHM C[C@@H]1C[C@H]([N-]S(=O)(=O)CCOC(C)(C)C)C(=O)N1c1cnn(C)c1 ZINC000632048798 492920026 /nfs/dbraw/zinc/92/00/26/492920026.db2.gz UJMPVZQYXBQDCB-YPMHNXCESA-N -1 3 358.464 0.648 10 0 FCAEHM CN1CCO[C@H](CS(=O)(=O)[N-]Cc2nnc(-c3ccccc3)s2)C1 ZINC000632099588 492929082 /nfs/dbraw/zinc/92/90/82/492929082.db2.gz LVSMPAOKPYJJIP-ZDUSSCGKSA-N -1 3 368.484 0.955 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)coc1C(=O)N(C)C ZINC000645571100 492929484 /nfs/dbraw/zinc/92/94/84/492929484.db2.gz IIGLAUVDBWWWQL-WCQGTBRESA-N -1 3 369.443 0.577 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@@H](C)CO[C@H]2CCOC2)coc1C(=O)N(C)C ZINC000645596058 492935768 /nfs/dbraw/zinc/93/57/68/492935768.db2.gz DYYNERMBHOYTSC-JQWIXIFHSA-N -1 3 360.432 0.762 10 0 FCAEHM CNC(=O)[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000632162868 492941400 /nfs/dbraw/zinc/94/14/00/492941400.db2.gz LRPFGEQSUIQUQL-IONNQARKSA-N -1 3 354.354 0.632 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CC2(CO)CCOCC2)coc1C(=O)N(C)C ZINC000645617354 492942719 /nfs/dbraw/zinc/94/27/19/492942719.db2.gz UPXLBSSSECUZCJ-UHFFFAOYSA-N -1 3 360.432 0.357 10 0 FCAEHM Cn1cnnc1S(=O)(=O)[N-][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000632169231 492943064 /nfs/dbraw/zinc/94/30/64/492943064.db2.gz MZLZEYQLOHVSEC-YPMHNXCESA-N -1 3 369.834 0.719 10 0 FCAEHM O=C(NCCCNC(=O)c1cccc([O-])c1)c1cn(C[C@H]2CCOC2)nn1 ZINC000626194061 492945337 /nfs/dbraw/zinc/94/53/37/492945337.db2.gz NANYVZNYKWIGMK-CYBMUJFWSA-N -1 3 373.413 0.570 10 0 FCAEHM Cn1cc(C[N-]S(=O)(=O)Cc2ncsc2Br)nn1 ZINC000632200304 492949296 /nfs/dbraw/zinc/94/92/96/492949296.db2.gz DCYVUECZJWAWPU-UHFFFAOYSA-N -1 3 352.239 0.654 10 0 FCAEHM CCS(=O)(=O)C[C@@H](C)[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000645629573 492950625 /nfs/dbraw/zinc/95/06/25/492950625.db2.gz HQMUHOGZLHKSCN-SECBINFHSA-N -1 3 366.461 0.391 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]C[C@@H](C)S(C)(=O)=O)coc1C(=O)N(C)C ZINC000645628522 492950990 /nfs/dbraw/zinc/95/09/90/492950990.db2.gz XAWYHMGGLJKJEB-MRVPVSSYSA-N -1 3 352.434 0.001 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]C(C)(C)CS(C)(=O)=O ZINC000632210535 492951223 /nfs/dbraw/zinc/95/12/23/492951223.db2.gz KFPMNPUXHYXXAF-UHFFFAOYSA-N -1 3 363.383 0.540 10 0 FCAEHM CNC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)C[C@@H](OC)C1CCOCC1 ZINC000645631359 492951774 /nfs/dbraw/zinc/95/17/74/492951774.db2.gz PGWBNPVTFIRADG-UONOGXRCSA-N -1 3 350.481 0.508 10 0 FCAEHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)[C@H]2CC(=O)N(C3CC3)C2)[C@]12CCCO2 ZINC000632211501 492951802 /nfs/dbraw/zinc/95/18/02/492951802.db2.gz OODGSACWUMFTPU-TTZDDIAXSA-N -1 3 358.460 0.396 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]Cc2nnc3n2CCCC3)coc1C(=O)N(C)C ZINC000645678215 492958569 /nfs/dbraw/zinc/95/85/69/492958569.db2.gz DTIKNPGYNTYZTN-UHFFFAOYSA-N -1 3 367.431 0.696 10 0 FCAEHM CN1CCO[C@H](CS(=O)(=O)[N-][C@H]2CCCN(C3CCCCC3)C2=O)C1 ZINC000632261332 492959553 /nfs/dbraw/zinc/95/95/53/492959553.db2.gz LNJPICYTKVWNCM-HOTGVXAUSA-N -1 3 373.519 0.560 10 0 FCAEHM Cc1nn2cc(Br)cnc2c1S(=O)(=O)[N-][C@H]1[C@@H]2COC[C@@H]21 ZINC000632295104 492966679 /nfs/dbraw/zinc/96/66/79/492966679.db2.gz CADWVUGHAAIVPJ-MYJAWHEDSA-N -1 3 373.232 0.723 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@H]2CCCN(CCCO)C2)coc1C(=O)N(C)C ZINC000645741178 492968657 /nfs/dbraw/zinc/96/86/57/492968657.db2.gz BXZWKTKCWWTEMB-ZDUSSCGKSA-N -1 3 373.475 0.415 10 0 FCAEHM CCCN1C[C@@H](C[N-]S(=O)(=O)c2coc(C(=O)N(C)C)c2C)CC1=O ZINC000645764177 492972072 /nfs/dbraw/zinc/97/20/72/492972072.db2.gz RDZAJSPXRAGUIY-GFCCVEGCSA-N -1 3 371.459 0.827 10 0 FCAEHM CC(C)(C)OCCS(=O)(=O)[N-]C[C@@H](N1CCOCC1)C(F)(F)F ZINC000632333846 492975948 /nfs/dbraw/zinc/97/59/48/492975948.db2.gz LFLWEKIRGMLTEP-LLVKDONJSA-N -1 3 362.414 0.984 10 0 FCAEHM O=C(NC[C@H](O)[C@H]1CCCO1)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1 ZINC000626471505 492981833 /nfs/dbraw/zinc/98/18/33/492981833.db2.gz HVZJAYYHQXVNSP-HZSPNIEDSA-N -1 3 362.386 0.099 10 0 FCAEHM NC(=O)[C@H]1C[C@H](NC(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C1 ZINC000626473742 492982264 /nfs/dbraw/zinc/98/22/64/492982264.db2.gz CFTKSUUVHLJIBC-JLIMDTESSA-N -1 3 370.406 0.652 10 0 FCAEHM CC(CO)(CO)C[N-]S(=O)(=O)Cc1ncsc1Br ZINC000632367701 492985052 /nfs/dbraw/zinc/98/50/52/492985052.db2.gz UGMWPWQPKVFRPI-UHFFFAOYSA-N -1 3 359.267 0.316 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N[C@@H]3CC[C@H]4C[C@H]4C3)cnc21 ZINC000645875866 492985991 /nfs/dbraw/zinc/98/59/91/492985991.db2.gz ZUPYTRJPAOUNIF-LPEHRKFASA-N -1 3 350.400 0.501 10 0 FCAEHM O=S(=O)(Cc1ncsc1Br)[N-]CCn1cnnc1 ZINC000632388204 492988225 /nfs/dbraw/zinc/98/82/25/492988225.db2.gz CTEAKPHGDHVEJX-UHFFFAOYSA-N -1 3 352.239 0.617 10 0 FCAEHM CO[C@H]1c2ccccc2C[C@H]1[N-]S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000632454691 493000936 /nfs/dbraw/zinc/00/09/36/493000936.db2.gz IUENQCOJDIAOMQ-LXZKKBNFSA-N -1 3 350.440 0.982 10 0 FCAEHM CCN1C[C@@H](S(=O)(=O)[N-]Cc2nccc(C(F)(F)F)n2)CC1=O ZINC000632455461 493001212 /nfs/dbraw/zinc/00/12/12/493001212.db2.gz DHBRFUTXNIOCRK-QMMMGPOBSA-N -1 3 352.338 0.536 10 0 FCAEHM CN1CCC[C@@H]1CNC(=O)N[C@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC000626769093 493016557 /nfs/dbraw/zinc/01/65/57/493016557.db2.gz XFWVWBOXVGZOBY-OWCLPIDISA-N -1 3 374.441 0.807 10 0 FCAEHM C[C@H](O)[C@H]([N-]S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1ccccc1F ZINC000632508540 493017028 /nfs/dbraw/zinc/01/70/28/493017028.db2.gz GYVDJRWZRZTYLT-IETSOEAISA-N -1 3 356.419 0.930 10 0 FCAEHM O=C(NC[C@H]1CN2CCN1CCC2)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000646121940 493017442 /nfs/dbraw/zinc/01/74/42/493017442.db2.gz ZVOCLBOFXVDLPB-DOTOQJQBSA-N -1 3 372.469 0.503 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]CC[C@@]1(O)CCCOC1 ZINC000632514686 493018779 /nfs/dbraw/zinc/01/87/79/493018779.db2.gz UFGZQMKXARRNOS-NSHDSACASA-N -1 3 357.354 0.649 10 0 FCAEHM O=C1C[C@@H](S(=O)(=O)[N-][C@@H]2CCc3ccccc3NC2=O)CN1C1CC1 ZINC000632536893 493024012 /nfs/dbraw/zinc/02/40/12/493024012.db2.gz VXIXFJDKXYHEPV-UKRRQHHQSA-N -1 3 363.439 0.623 10 0 FCAEHM C[C@@H]1CN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C2(CCC2)CO1 ZINC000652880039 493030845 /nfs/dbraw/zinc/03/08/45/493030845.db2.gz VEBDDTMJQCVZDY-SECBINFHSA-N -1 3 372.219 0.881 10 0 FCAEHM CC(C)[C@H](O)[C@H]([N-]S(=O)(=O)C[C@@H]1CN(C)CCO1)c1ccccc1 ZINC000632568178 493031468 /nfs/dbraw/zinc/03/14/68/493031468.db2.gz XJPCJTBZYCGTLQ-BBWFWOEESA-N -1 3 356.488 0.995 10 0 FCAEHM O=C1C[C@H](S(=O)(=O)[N-][C@@H](CO)c2ccc(F)cc2F)CN1C1CC1 ZINC000632573080 493032460 /nfs/dbraw/zinc/03/24/60/493032460.db2.gz QIRNJNIJTQDNBV-FZMZJTMJSA-N -1 3 360.382 0.681 10 0 FCAEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)N=c1ccn(CCN2CCOCC2)[nH]1 ZINC000646276073 493036391 /nfs/dbraw/zinc/03/63/91/493036391.db2.gz YGYLPQREWSYODO-UHFFFAOYSA-N -1 3 361.450 0.858 10 0 FCAEHM O=C1C[C@@H](S(=O)(=O)[N-]C[C@H](n2cccn2)C(F)(F)F)CN1C1CC1 ZINC000632589563 493038202 /nfs/dbraw/zinc/03/82/02/493038202.db2.gz RNMVSTPJCOYDCR-MNOVXSKESA-N -1 3 366.365 0.669 10 0 FCAEHM O=S(=O)(Cc1ncsc1Br)[N-]C[C@H](O)[C@H]1CCCO1 ZINC000632592446 493038915 /nfs/dbraw/zinc/03/89/15/493038915.db2.gz GAZNAYBDSJAOCG-DTWKUNHWSA-N -1 3 371.278 0.865 10 0 FCAEHM O=C1C[C@H](S(=O)(=O)[N-]C[C@H](n2cncn2)C(F)(F)F)CN1C1CC1 ZINC000632645468 493057615 /nfs/dbraw/zinc/05/76/15/493057615.db2.gz QOYUFXFBLCXWRN-UWVGGRQHSA-N -1 3 367.353 0.064 10 0 FCAEHM COCc1ccnc(NC(=O)CC[N-]S(=O)(=O)c2cn(C)c(C)n2)c1 ZINC000653008451 493058482 /nfs/dbraw/zinc/05/84/82/493058482.db2.gz OYIIJFFNIFZRJP-UHFFFAOYSA-N -1 3 367.431 0.577 10 0 FCAEHM CC1(C)CN(C(=O)C[N-]S(=O)(=O)c2cccs2)[C@@H]2COC[C@H]2O1 ZINC000653006423 493058721 /nfs/dbraw/zinc/05/87/21/493058721.db2.gz OZIDSQRTRKBZRS-GHMZBOCLSA-N -1 3 360.457 0.431 10 0 FCAEHM CC(C)(CNC(=O)NCc1nc(CN)cc(=O)[n-]1)C(=O)N1CCCC1 ZINC000627118244 493090443 /nfs/dbraw/zinc/09/04/43/493090443.db2.gz VVNPZBIVYHMFKN-UHFFFAOYSA-N -1 3 350.423 0.089 10 0 FCAEHM Cn1ccnc1COCC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000646791463 493095728 /nfs/dbraw/zinc/09/57/28/493095728.db2.gz SGTWJLLUEXHHON-UHFFFAOYSA-N -1 3 358.398 0.627 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC1COCCOC1 ZINC000646805434 493100149 /nfs/dbraw/zinc/10/01/49/493100149.db2.gz XWDISWZSSVFDCD-UHFFFAOYSA-N -1 3 358.398 0.605 10 0 FCAEHM CN1C[C@@H]2CCN(C(=O)C[N-]S(=O)(=O)c3c(F)cccc3F)[C@@H]2C1 ZINC000646925958 493127697 /nfs/dbraw/zinc/12/76/97/493127697.db2.gz XNBFNTKUCKXGMS-GXFFZTMASA-N -1 3 359.398 0.406 10 0 FCAEHM NCc1cc(=O)[n-]c(CNC(=O)C(=O)Nc2ccc3c(c2)CCCC3)n1 ZINC000659110330 493157334 /nfs/dbraw/zinc/15/73/34/493157334.db2.gz BPHKGTHSHXQGQB-UHFFFAOYSA-N -1 3 355.398 0.775 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC[C@H](c3cccnc3)C2)c1 ZINC000633541600 493163334 /nfs/dbraw/zinc/16/33/34/493163334.db2.gz IJTIFBJAPVRAPZ-AWEZNQCLSA-N -1 3 363.443 0.500 10 0 FCAEHM COc1ncc([N-]S(=O)(=O)C[C@@H](OC)C2CCOCC2)cc1C(N)=O ZINC000647128421 493169938 /nfs/dbraw/zinc/16/99/38/493169938.db2.gz BNLVPTPTOIQIPW-CYBMUJFWSA-N -1 3 373.431 0.372 10 0 FCAEHM Cc1cccc2c(=O)c(C(=O)N(C)CCN3CCCS3(=O)=O)c[n-]c12 ZINC000681527325 493182511 /nfs/dbraw/zinc/18/25/11/493182511.db2.gz QDOZROCTHWQMFJ-UHFFFAOYSA-N -1 3 363.439 0.944 10 0 FCAEHM CN(C)C[C@@H](NC(=O)CN1CC(=O)[N-]C1=O)c1cccc(C(F)(F)F)c1 ZINC000633765960 493188727 /nfs/dbraw/zinc/18/87/27/493188727.db2.gz JOBGEDGLMSEQPI-GFCCVEGCSA-N -1 3 372.347 0.976 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CCn2cnnc2C(C)C)coc1C(=O)N(C)C ZINC000647277586 493189467 /nfs/dbraw/zinc/18/94/67/493189467.db2.gz YJFPTWLNPHIQEZ-UHFFFAOYSA-N -1 3 369.447 0.983 10 0 FCAEHM C[C@@H]1CN(C(=O)Nc2ccc(C[C@H]3NC(=O)[N-]C3=O)cc2)C[C@@H](C)C1O ZINC000666513095 493196270 /nfs/dbraw/zinc/19/62/70/493196270.db2.gz MTVFYZNPDYRGDI-JTNHKYCSSA-N -1 3 360.414 0.918 10 0 FCAEHM Cc1ccncc1N1CCN(C(=O)NCc2nc(CN)cc(=O)[n-]2)CC1 ZINC000659629248 493223105 /nfs/dbraw/zinc/22/31/05/493223105.db2.gz DDUZWVCMNIMMSE-UHFFFAOYSA-N -1 3 357.418 0.376 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)N2CC(F)(F)C[C@H]2CO)ccc1F ZINC000672770228 493248521 /nfs/dbraw/zinc/24/85/21/493248521.db2.gz AQEPIUCTSYVCLR-VIFPVBQESA-N -1 3 367.349 0.968 10 0 FCAEHM O=C(NCCc1nsc2ccccc12)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000667097101 493258113 /nfs/dbraw/zinc/25/81/13/493258113.db2.gz OGGNWUNAXAQNME-LBPRGKRZSA-N -1 3 359.411 0.784 10 0 FCAEHM CCc1cc(NC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C)c2)n[nH]1 ZINC000672987416 493277008 /nfs/dbraw/zinc/27/70/08/493277008.db2.gz WKZOPLGBHVWSNM-UHFFFAOYSA-N -1 3 369.378 0.597 10 0 FCAEHM CC(C)O[C@]1(CS(=O)(=O)[N-]CC(=O)NCc2ccco2)CCOC1 ZINC000659885370 493297492 /nfs/dbraw/zinc/29/74/92/493297492.db2.gz QSLBNURHSWMMGZ-OAHLLOKOSA-N -1 3 360.432 0.399 10 0 FCAEHM O=C(Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1)N1C[C@H](O)CC(F)(F)C1 ZINC000682556557 493308634 /nfs/dbraw/zinc/30/86/34/493308634.db2.gz MRMLKBDVDQTGGJ-NEPJUHHUSA-N -1 3 368.340 0.671 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1C[C@H](O)CC(F)(F)C1 ZINC000682590141 493309825 /nfs/dbraw/zinc/30/98/25/493309825.db2.gz TWCYJHUNFCRKHV-RKDXNWHRSA-N -1 3 354.400 0.643 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)N1C[C@H](O)CC(F)(F)C1 ZINC000682591958 493310479 /nfs/dbraw/zinc/31/04/79/493310479.db2.gz VQYYFGBKKLGKIX-SNVBAGLBSA-N -1 3 365.336 0.486 10 0 FCAEHM COC[C@@H]([N-]S(=O)(=O)C[C@@]1(OC(C)C)CCOC1)C1CCOCC1 ZINC000659988221 493312211 /nfs/dbraw/zinc/31/22/11/493312211.db2.gz SWAILKGMEBCRMN-HZPDHXFCSA-N -1 3 365.492 0.932 10 0 FCAEHM COc1ccnc(C[N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)c1 ZINC000660006102 493313947 /nfs/dbraw/zinc/31/39/47/493313947.db2.gz ROFCNNZVXHTAKQ-UHFFFAOYSA-N -1 3 368.436 0.899 10 0 FCAEHM O=S(=O)(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCC2(COC2)C1 ZINC000660067058 493320975 /nfs/dbraw/zinc/32/09/75/493320975.db2.gz WKWZFJIXHDBZHT-UHFFFAOYSA-N -1 3 355.807 0.931 10 0 FCAEHM O=S(=O)(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCC2(COC2)C1 ZINC000660067058 493320976 /nfs/dbraw/zinc/32/09/76/493320976.db2.gz WKWZFJIXHDBZHT-UHFFFAOYSA-N -1 3 355.807 0.931 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@H]2COC[C@@H]2C1 ZINC000660080208 493322603 /nfs/dbraw/zinc/32/26/03/493322603.db2.gz OTUUWPFPPYULSC-RYUDHWBXSA-N -1 3 360.457 0.252 10 0 FCAEHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)c1 ZINC000673855174 493367508 /nfs/dbraw/zinc/36/75/08/493367508.db2.gz IAUWSIALSRRDSD-HNNXBMFYSA-N -1 3 361.398 0.860 10 0 FCAEHM O=C(c1noc(-c2cccc(F)c2)n1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000684077048 493392256 /nfs/dbraw/zinc/39/22/56/493392256.db2.gz DROAXJHFYBCLMZ-MRXNPFEDSA-N -1 3 359.317 0.690 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CC[C@H](N2CCC2)[C@@H](F)C1 ZINC000684180355 493399799 /nfs/dbraw/zinc/39/97/99/493399799.db2.gz CEARGEDRSYETCC-RYUDHWBXSA-N -1 3 361.464 0.671 10 0 FCAEHM O=C(NCc1ncccc1[O-])Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 ZINC000684236006 493401799 /nfs/dbraw/zinc/40/17/99/493401799.db2.gz LCWKENLKZRSQKP-SNVBAGLBSA-N -1 3 351.388 0.665 10 0 FCAEHM NC(=O)c1ccccc1N1CC[C@@H](NC(=O)NCc2ncccc2[O-])C1 ZINC000684264241 493403032 /nfs/dbraw/zinc/40/30/32/493403032.db2.gz CBUPIMFPJQBHAY-GFCCVEGCSA-N -1 3 355.398 0.964 10 0 FCAEHM COC[C@H](CCNC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1)OC ZINC000661481593 493441997 /nfs/dbraw/zinc/44/19/97/493441997.db2.gz GMSPBSUZZJVNJH-INIZCTEOSA-N -1 3 365.430 0.911 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)CC[C@H]2NC(=O)[N-]C2=O)CC(=O)N1Cc1ccccc1 ZINC000685015528 493442146 /nfs/dbraw/zinc/44/21/46/493442146.db2.gz PJNHWODRJPOVPG-BNOWGMLFSA-N -1 3 358.398 0.280 10 0 FCAEHM C[C@@H]1C[C@@H](NC(=O)NCC[N-]S(=O)(=O)c2cccs2)c2ncnn21 ZINC000661533983 493445705 /nfs/dbraw/zinc/44/57/05/493445705.db2.gz DGQKDQKXGIJPSR-NXEZZACHSA-N -1 3 370.460 0.623 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@@H]2C[C@H](C)n3ncnc32)s1 ZINC000661543915 493446108 /nfs/dbraw/zinc/44/61/08/493446108.db2.gz IVOSQUYJLKFSIP-WCBMZHEXSA-N -1 3 370.460 0.753 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)NCCO[C@H]1CC1(F)F ZINC000661678717 493457414 /nfs/dbraw/zinc/45/74/14/493457414.db2.gz VAEDWTDSQBTMLL-VIFPVBQESA-N -1 3 369.415 0.750 10 0 FCAEHM CN1C[C@H](C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)NC1=O ZINC000669090827 493462184 /nfs/dbraw/zinc/46/21/84/493462184.db2.gz OJZLYMXJVNBTFA-LLVKDONJSA-N -1 3 356.379 0.229 10 0 FCAEHM C[C@@H]1COCC[C@@H]1S(=O)(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000685298240 493473882 /nfs/dbraw/zinc/47/38/82/493473882.db2.gz SZEUKXBFMWLZKR-CJNGLKHVSA-N -1 3 368.455 0.905 10 0 FCAEHM CN(CCN1CCN([C@@H]2CCN(CC(=O)[O-])C2=O)CC1)Cc1ccccc1 ZINC000662207544 493496798 /nfs/dbraw/zinc/49/67/98/493496798.db2.gz YWJOXZBBGRVBIO-GOSISDBHSA-N -1 3 374.485 0.422 10 0 FCAEHM CN(C)[C@H](CNC(=O)CN1C[C@@H]2COC[C@]2(C(=O)[O-])C1)c1ccccc1 ZINC000662219476 493497149 /nfs/dbraw/zinc/49/71/49/493497149.db2.gz XZAOVYDNKSVPPI-GPMSIDNRSA-N -1 3 361.442 0.439 10 0 FCAEHM O=C(CN1C[C@@H]2COC[C@]2(C(=O)[O-])C1)NCCCOC1CCCCC1 ZINC000662219776 493497606 /nfs/dbraw/zinc/49/76/06/493497606.db2.gz JCGZYOVHEMVXSG-RDTXWAMCSA-N -1 3 354.447 0.875 10 0 FCAEHM CN(CCOc1ccccc1F)C(=O)CN1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662219812 493497797 /nfs/dbraw/zinc/49/77/97/493497797.db2.gz KSNNTLWITRWOTK-FZKQIMNGSA-N -1 3 366.389 0.696 10 0 FCAEHM CC(C)c1nc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)c[nH]1 ZINC000669677555 493520737 /nfs/dbraw/zinc/52/07/37/493520737.db2.gz ZQCWHVIBEKRVRG-GHMZBOCLSA-N -1 3 364.493 0.529 10 0 FCAEHM CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000669752898 493524788 /nfs/dbraw/zinc/52/47/88/493524788.db2.gz JZDYNYNBRZLMJP-KWQFWETISA-N -1 3 355.395 0.545 10 0 FCAEHM CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000669752898 493524790 /nfs/dbraw/zinc/52/47/90/493524790.db2.gz JZDYNYNBRZLMJP-KWQFWETISA-N -1 3 355.395 0.545 10 0 FCAEHM CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000669752898 493524791 /nfs/dbraw/zinc/52/47/91/493524791.db2.gz JZDYNYNBRZLMJP-KWQFWETISA-N -1 3 355.395 0.545 10 0 FCAEHM CN(CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C1 ZINC000662913487 493552590 /nfs/dbraw/zinc/55/25/90/493552590.db2.gz LKVNSFKNGKOCRP-IAGOWNOFSA-N -1 3 373.453 0.695 10 0 FCAEHM CN(CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C1 ZINC000662913486 493552750 /nfs/dbraw/zinc/55/27/50/493552750.db2.gz LKVNSFKNGKOCRP-DLBZAZTESA-N -1 3 373.453 0.695 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-][C@H](CO)c2cc(F)ccc2F)C[C@H](C)O1 ZINC000676848393 493574345 /nfs/dbraw/zinc/57/43/45/493574345.db2.gz FPSDXWUGPPEVHF-ISTVAULSSA-N -1 3 350.387 0.942 10 0 FCAEHM CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H](C(=O)[O-])C2CCC2)CC1=O ZINC000663154650 493575980 /nfs/dbraw/zinc/57/59/80/493575980.db2.gz KWDXCWCETJSVOD-XHSDSOJGSA-N -1 3 365.474 0.936 10 0 FCAEHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H]2CCN(C3CCOCC3)C2=O)c1 ZINC000677143965 493586087 /nfs/dbraw/zinc/58/60/87/493586087.db2.gz ANFCRLJUKJOOHV-CYBMUJFWSA-N -1 3 356.448 0.522 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CC[C@H](O)C(F)(F)C2)s1 ZINC000663536010 493594704 /nfs/dbraw/zinc/59/47/04/493594704.db2.gz FKPXCYZYTKGUTK-VIFPVBQESA-N -1 3 369.415 0.568 10 0 FCAEHM CN(C)CCN(Cc1ccco1)C(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663633910 493607755 /nfs/dbraw/zinc/60/77/55/493607755.db2.gz HSHBWJMUALPDGT-OAHLLOKOSA-N -1 3 365.430 0.787 10 0 FCAEHM CC1(C)Cc2ccc(C(=O)N3CCC[C@@H]3CS(N)(=O)=O)c([O-])c2O1 ZINC000678310901 493640266 /nfs/dbraw/zinc/64/02/66/493640266.db2.gz MVYKWKZAUNHSEV-LLVKDONJSA-N -1 3 354.428 0.999 10 0 FCAEHM CCN1CCN(C(=O)c2ccc(NC(=O)C[C@@H]3NC(=O)[N-]C3=O)cc2)CC1 ZINC000678615151 493651885 /nfs/dbraw/zinc/65/18/85/493651885.db2.gz OLRFQLZFRDBXOV-AWEZNQCLSA-N -1 3 373.413 0.001 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NC[C@@H]2CCC(=O)N2)cc1OC ZINC000664407780 493657860 /nfs/dbraw/zinc/65/78/60/493657860.db2.gz ZLFUNNVDBFBQDY-NSHDSACASA-N -1 3 370.431 0.857 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCc1cnccn1 ZINC000678759815 493659132 /nfs/dbraw/zinc/65/91/32/493659132.db2.gz WTDMGCGOTGSCHL-NSHDSACASA-N -1 3 352.391 0.641 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)NCc2ccc(Cl)cn2)cn1C ZINC000678870820 493663001 /nfs/dbraw/zinc/66/30/01/493663001.db2.gz LTRLLEGPBIIKLM-UHFFFAOYSA-N -1 3 357.823 0.372 10 0 FCAEHM C[C@@]12COC[C@H]1CN(C(=O)NCC[N-]S(=O)(=O)c1cccs1)C2 ZINC000664503085 493663774 /nfs/dbraw/zinc/66/37/74/493663774.db2.gz PTUODKIWOQIFAI-BXUZGUMPSA-N -1 3 359.473 0.704 10 0 FCAEHM C[C@]12COC[C@@H]1CN(C(=O)NCC[N-]S(=O)(=O)c1cccs1)C2 ZINC000664503087 493663818 /nfs/dbraw/zinc/66/38/18/493663818.db2.gz PTUODKIWOQIFAI-FZMZJTMJSA-N -1 3 359.473 0.704 10 0 FCAEHM O=C(Nc1cccc([C@@H]2CNC(=O)C2)c1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000679343531 493676202 /nfs/dbraw/zinc/67/62/02/493676202.db2.gz BTOJXOKHTJXVHL-WCQYABFASA-N -1 3 357.370 0.058 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2Cn2ccnn2)c(C)o1 ZINC000671493646 493676484 /nfs/dbraw/zinc/67/64/84/493676484.db2.gz ZBBWQVJFVVWUAC-NSHDSACASA-N -1 3 353.404 0.392 10 0 FCAEHM Cc1cn2c(n1)CN(C(=O)c1cccc([C@@]3(C)NC(=O)[N-]C3=O)c1)CC2 ZINC000679906750 493700590 /nfs/dbraw/zinc/70/05/90/493700590.db2.gz AKOPENWXARKYRK-GOSISDBHSA-N -1 3 353.382 0.902 10 0 FCAEHM CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CC1 ZINC000665324066 493709520 /nfs/dbraw/zinc/70/95/20/493709520.db2.gz LDXVUVUJBNNYDG-CABCVRRESA-N -1 3 366.462 0.435 10 0 FCAEHM CN1CCC[C@@H](N2CCN(C(=O)NC[C@H](C(=O)[O-])C3CCC3)CC2)C1 ZINC000665325971 493710002 /nfs/dbraw/zinc/71/00/02/493710002.db2.gz SAEUUXMQOPWCSM-CVEARBPZSA-N -1 3 352.479 0.909 10 0 FCAEHM C[C@H](NC(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1)c1ccc(-n2cncn2)cc1 ZINC000680603725 493725982 /nfs/dbraw/zinc/72/59/82/493725982.db2.gz PMYVKVOYKBRBKD-FZMZJTMJSA-N -1 3 369.385 0.274 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@@H]1CCc2cncn2C1 ZINC000672153252 493738063 /nfs/dbraw/zinc/73/80/63/493738063.db2.gz VGXUJKGVRUNQDN-MRVPVSSYSA-N -1 3 368.191 0.039 10 0 FCAEHM C[C@H](NC(=O)N[N-]C(=O)c1ccccc1Br)C(=O)N(C)C ZINC000046970868 674347416 /nfs/dbraw/zinc/34/74/16/674347416.db2.gz DHVMFRUGDRUSRX-QMMMGPOBSA-N -1 3 357.208 0.870 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCO[C@@H]([C@H](C)O)C1 ZINC000411954448 528125303 /nfs/dbraw/zinc/12/53/03/528125303.db2.gz QXJQCWFCGIRFMV-WDEREUQCSA-N -1 3 370.427 0.780 10 0 FCAEHM CCCc1nc(=NC(=O)C(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)s[n-]1 ZINC000411521016 528684586 /nfs/dbraw/zinc/68/45/86/528684586.db2.gz SFFMLTPERPCIQV-NEPJUHHUSA-N -1 3 351.476 0.936 10 0 FCAEHM CC(C)[C@H](O)CNC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000442593898 535153664 /nfs/dbraw/zinc/15/36/64/535153664.db2.gz PDQXHVLSJMONOY-GFCCVEGCSA-N -1 3 365.402 0.559 10 0 FCAEHM CCOC(=O)[C@@H]1CN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)CC12COC2 ZINC000452264745 535568069 /nfs/dbraw/zinc/56/80/69/535568069.db2.gz ORSFGIRJUXWZIM-ZDUSSCGKSA-N -1 3 358.350 0.222 10 0 FCAEHM CCOC1(C)CN(C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C)c2)C1 ZINC000453790050 535745505 /nfs/dbraw/zinc/74/55/05/535745505.db2.gz LQPJBPPWVWYRMX-UHFFFAOYSA-N -1 3 373.406 0.310 10 0 FCAEHM COC(=O)CCCCC[N-]S(=O)(=O)c1csnc1C(=O)OC ZINC000443089980 536447687 /nfs/dbraw/zinc/44/76/87/536447687.db2.gz FJIPEPNUOAYPBT-UHFFFAOYSA-N -1 3 350.418 0.941 10 0 FCAEHM COC(=O)c1c([N-]C(=O)C(=O)N[C@@H]2CC[C@H]2O)sc2c1CCOC2 ZINC000425807034 536859481 /nfs/dbraw/zinc/85/94/81/536859481.db2.gz PELJNDRVXKQFFV-RKDXNWHRSA-N -1 3 354.384 0.185 10 0 FCAEHM CS(=O)(=O)CCCS(=O)(=O)[N-]CC(=O)c1c(F)cccc1F ZINC000425194267 536920958 /nfs/dbraw/zinc/92/09/58/536920958.db2.gz NLTIHVAFTFKCBZ-UHFFFAOYSA-N -1 3 355.384 0.502 10 0 FCAEHM COc1cccc(S([O-])=CC(=O)N2CCN(CCN(C)C)CC2)c1 ZINC000424548151 536921255 /nfs/dbraw/zinc/92/12/55/536921255.db2.gz VSJKWTYTQOXRAI-XMMPIXPASA-N -1 3 353.488 0.509 10 0 FCAEHM CC[C@H](CNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F)C(=O)OC ZINC000592859224 546670940 /nfs/dbraw/zinc/67/09/40/546670940.db2.gz ZEQXWGKXSSYECY-WDEREUQCSA-N -1 3 360.407 0.808 10 0 FCAEHM CC(C)(C)OC(=O)[C@@H](Cc1ccncc1)[N-]S(=O)(=O)N1CCOCC1 ZINC000594491624 546797417 /nfs/dbraw/zinc/79/74/17/546797417.db2.gz KMIZSRBXMAKVEQ-CQSZACIVSA-N -1 3 371.459 0.501 10 0 FCAEHM CCOC(=O)CC1(S(=O)(=O)[N-][C@@H]2Cc3ccccc3N(C)C2=O)CC1 ZINC000594802965 546827510 /nfs/dbraw/zinc/82/75/10/546827510.db2.gz GJTPSQDGYBZKMV-CYBMUJFWSA-N -1 3 366.439 0.979 10 0 FCAEHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H]1CCO[C@H]1C(=O)OC ZINC000594824029 546837079 /nfs/dbraw/zinc/83/70/79/546837079.db2.gz CXYKIGVXBNCMOR-CMPLNLGQSA-N -1 3 361.347 0.221 10 0 FCAEHM COC(=O)c1ccccc1CS(=O)(=O)[N-][C@H]1CCO[C@H]1C(=O)OC ZINC000594824869 546837261 /nfs/dbraw/zinc/83/72/61/546837261.db2.gz SZCFSBPSHPBHPT-QWHCGFSZSA-N -1 3 357.384 0.223 10 0 FCAEHM COCc1nc(C[N-]S(=O)(=O)c2ccc(C(=O)OC)cc2OC)n[nH]1 ZINC000594827880 546838648 /nfs/dbraw/zinc/83/86/48/546838648.db2.gz OXPMAGMIGXBGRZ-UHFFFAOYSA-N -1 3 370.387 0.225 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)OC)c(C)o1 ZINC000276467953 546866895 /nfs/dbraw/zinc/86/68/95/546866895.db2.gz WWIAAPZOTSJHJA-WDMOLILDSA-N -1 3 370.427 0.910 10 0 FCAEHM O=C(CSc1n[nH]c(=O)[n-]1)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000617703291 546883559 /nfs/dbraw/zinc/88/35/59/546883559.db2.gz GEVHGBMNJWHNFW-CYBMUJFWSA-N -1 3 363.443 0.485 10 0 FCAEHM Cn1ccnc1CN1CCC[C@H]([N-]S(=O)(=O)CCC(F)(F)F)C1=O ZINC000551510753 547150805 /nfs/dbraw/zinc/15/08/05/547150805.db2.gz OTMGPTULBSGJBB-JTQLQIEISA-N -1 3 368.381 0.783 10 0 FCAEHM CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000552718051 547227522 /nfs/dbraw/zinc/22/75/22/547227522.db2.gz OMCGHEOJMIEUPM-CYBMUJFWSA-N -1 3 369.443 0.052 10 0 FCAEHM CS(=O)(=O)N1CCCC[C@H]1CNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000553585687 547291473 /nfs/dbraw/zinc/29/14/73/547291473.db2.gz FFUYHVQNLNIOPG-NSHDSACASA-N -1 3 365.411 0.114 10 0 FCAEHM CCOC(=O)c1cc(NC(=O)C(C)(C)NC(=O)COC(C)(C)C)n[n-]1 ZINC000593581412 547375936 /nfs/dbraw/zinc/37/59/36/547375936.db2.gz JOOOBBRIYZWSBB-UHFFFAOYSA-N -1 3 354.407 1.235 10 0 FCAEHM CCOC(=O)c1cc(NC(=O)C(C)(C)NC(=O)COC(C)(C)C)[n-]n1 ZINC000593581412 547375941 /nfs/dbraw/zinc/37/59/41/547375941.db2.gz JOOOBBRIYZWSBB-UHFFFAOYSA-N -1 3 354.407 1.235 10 0 FCAEHM C[C@@H](COC1CCCC1)CS(=O)(=O)[N-]CC(=O)Nc1ccn(C)n1 ZINC000549413468 547379397 /nfs/dbraw/zinc/37/93/97/547379397.db2.gz GXYWQCJCMDCJFS-LBPRGKRZSA-N -1 3 358.464 0.873 10 0 FCAEHM CC(C)(C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000392756555 547415328 /nfs/dbraw/zinc/41/53/28/547415328.db2.gz VNZBRAOZBUGFQP-GTNSWQLSSA-N -1 3 350.419 0.224 10 0 FCAEHM Cc1cc(=O)[n-]c(CNC(=O)c2cc(I)nn2C)n1 ZINC000898258093 665809782 /nfs/dbraw/zinc/80/97/82/665809782.db2.gz FIVXYHYJCAGPSX-UHFFFAOYSA-N -1 3 373.154 0.759 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N1CC(N2CCCC2)C1 ZINC000898614604 665890632 /nfs/dbraw/zinc/89/06/32/665890632.db2.gz WWSSQNCCQHGQSK-UHFFFAOYSA-N -1 3 359.398 0.550 10 0 FCAEHM C[C@@H]1CCN(C(=O)C2CN([C@H]3CCOC3)C2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000898991263 665921397 /nfs/dbraw/zinc/92/13/97/665921397.db2.gz UKCCGLXUCFRKFL-WXHSDQCUSA-N -1 3 363.380 0.623 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC(Cc3cnn(C)c3)C2)ccc1F ZINC000899011078 665922115 /nfs/dbraw/zinc/92/21/15/665922115.db2.gz LEKINCRILFIFKY-UHFFFAOYSA-N -1 3 366.418 0.782 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-][C@H]2CCN(c3ccc(C)cc3)C2=O)CC1 ZINC000866868759 663471192 /nfs/dbraw/zinc/47/11/92/663471192.db2.gz BDAYIEPINQLESW-AWEZNQCLSA-N -1 3 366.439 0.973 10 0 FCAEHM C[C@H](C[N-]S(=O)(=O)c1occc1Br)N1CCN(C)CC1 ZINC000914173684 666719366 /nfs/dbraw/zinc/71/93/66/666719366.db2.gz WADQBIDWDQOFMG-SNVBAGLBSA-N -1 3 366.281 0.956 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-]CC2(CO)CC2)c1I ZINC000866909083 665141719 /nfs/dbraw/zinc/14/17/19/665141719.db2.gz JLBCNVXNLQDIHY-UHFFFAOYSA-N -1 3 371.200 0.076 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CC(C)(C)S(C)(=O)=O)c(Br)n1 ZINC000866919024 665163951 /nfs/dbraw/zinc/16/39/51/665163951.db2.gz KXDXNKKBNABCMV-UHFFFAOYSA-N -1 3 374.282 0.284 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CCCO[C@@H]2CCOC2)c(Br)n1 ZINC000866947807 665238179 /nfs/dbraw/zinc/23/81/79/665238179.db2.gz DHDZPECLNCFLDM-SECBINFHSA-N -1 3 368.253 0.657 10 0 FCAEHM CC[S@](C)(=O)=NS(=O)(=O)[N-]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000866959490 665247290 /nfs/dbraw/zinc/24/72/90/665247290.db2.gz XJULZMDZROHXBV-QRQYBIJMSA-N -1 3 355.526 0.828 10 0 FCAEHM COc1cccc([O-])c1C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000908197604 666192756 /nfs/dbraw/zinc/19/27/56/666192756.db2.gz XOYPXJZIALCBBB-LLVKDONJSA-N -1 3 357.432 0.401 10 0 FCAEHM Cc1nn2cc(Br)cnc2c1S(=O)(=O)[N-]C[C@@H]1CCN1C ZINC000921412333 666446402 /nfs/dbraw/zinc/44/64/02/666446402.db2.gz LVORDYHPWVKLIU-JTQLQIEISA-N -1 3 374.264 0.783 10 0 FCAEHM COCCS(=O)(=O)C=C([O-])N=[S@](C)(=O)c1ccc(N(C)C)cc1 ZINC000913499852 666530769 /nfs/dbraw/zinc/53/07/69/666530769.db2.gz VTEQZAFQKGRYAC-JOCHJYFZSA-N -1 3 362.473 0.797 10 0 FCAEHM CC(=O)NCCCNC(=O)N[N-]C(=O)c1ccccc1Br ZINC000046905565 666580384 /nfs/dbraw/zinc/58/03/84/666580384.db2.gz YYPGUGISAPQZKS-UHFFFAOYSA-N -1 3 357.208 0.919 10 0 FCAEHM CC1(C)COc2c(S(=O)(=O)[N-]CC[C@H](O)C(F)(F)F)cnn2C1 ZINC000914160908 666711476 /nfs/dbraw/zinc/71/14/76/666711476.db2.gz NESZWRCUEAZHQO-VIFPVBQESA-N -1 3 357.354 0.893 10 0 FCAEHM O=C([C@@H](Cc1ccccc1)[N-]S(=O)(=O)CC1(F)CC1)N1CCOCC1 ZINC000914375924 666747946 /nfs/dbraw/zinc/74/79/46/666747946.db2.gz OYPJYOJPUOGKMG-OAHLLOKOSA-N -1 3 370.446 0.878 10 0 FCAEHM C[C@@H]1COC[C@H]1[N-]S(=O)(=O)c1cnn(C)c1I ZINC000921504506 666877905 /nfs/dbraw/zinc/87/79/05/666877905.db2.gz ZJIWJKSWKWSLHT-RNFRBKRXSA-N -1 3 371.200 0.338 10 0 FCAEHM CC(C)(CNC(=O)c1nnc2ccccc2c1[O-])N1CCS(=O)CC1 ZINC000735663073 667040191 /nfs/dbraw/zinc/04/01/91/667040191.db2.gz XGVUGJMCHYBUIM-UHFFFAOYSA-N -1 3 362.455 0.908 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2CN3CCN2CCC3)s1 ZINC000917043978 667046066 /nfs/dbraw/zinc/04/60/66/667046066.db2.gz JOLDGHWJYSOWKQ-LLVKDONJSA-N -1 3 359.473 0.203 10 0 FCAEHM O=S(=O)([N-]C[C@H]1CN2CCN1CCC2)c1ccc(Cl)c2nonc21 ZINC000917061570 667050649 /nfs/dbraw/zinc/05/06/49/667050649.db2.gz MMIAZCCGRUTLKY-JTQLQIEISA-N -1 3 371.850 0.544 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C2CC(N3CCOCC3)C2)s1 ZINC000918307848 667110050 /nfs/dbraw/zinc/11/00/50/667110050.db2.gz LRGDKXNQHTWNPN-UHFFFAOYSA-N -1 3 360.457 0.676 10 0 FCAEHM O=S(=O)([N-][C@H](CO)CN1CCOCC1)c1c(Cl)cccc1Cl ZINC000918987717 667148774 /nfs/dbraw/zinc/14/87/74/667148774.db2.gz DZKGXMMCRVAZAF-JTQLQIEISA-N -1 3 369.270 0.965 10 0 FCAEHM CCOC(=O)[C@@H](CC1CC1)[N-]S(=O)(=O)c1csnc1C(=O)OC ZINC000751470043 667470553 /nfs/dbraw/zinc/47/05/53/667470553.db2.gz CITAWBXMTYWCAE-SECBINFHSA-N -1 3 362.429 0.940 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCC(=O)NCc2ccco2)ccc1F ZINC000752396773 667513823 /nfs/dbraw/zinc/51/38/23/667513823.db2.gz AHEKXTWZQOLACH-UHFFFAOYSA-N -1 3 369.374 0.373 10 0 FCAEHM CCOCCOCC[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000921890416 667533246 /nfs/dbraw/zinc/53/32/46/667533246.db2.gz NJCIJURAARDZKP-UHFFFAOYSA-N -1 3 356.242 0.514 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2CCN2C2CCOCC2)o1 ZINC000921912800 667539785 /nfs/dbraw/zinc/53/97/85/667539785.db2.gz RWGYPIAJSIQOMT-LBPRGKRZSA-N -1 3 358.416 0.598 10 0 FCAEHM CCC1(CC)CNC(=O)[C@H]1[N-]S(=O)(=O)C[C@@]1(OC(C)C)CCOC1 ZINC000922037398 667572436 /nfs/dbraw/zinc/57/24/36/667572436.db2.gz BFTPRLZJOVZZBP-CZUORRHYSA-N -1 3 362.492 0.795 10 0 FCAEHM CC(C)O[C@@]1(CS(=O)(=O)[N-]Cc2noc3c2COCC3)CCOC1 ZINC000922076071 667582881 /nfs/dbraw/zinc/58/28/81/667582881.db2.gz HCOJOWRDUQGBIY-HNNXBMFYSA-N -1 3 360.432 0.751 10 0 FCAEHM CNC(=O)Cc1nc(COC(=O)CNC(=O)c2ccc([O-])cc2)cs1 ZINC000754810900 667611866 /nfs/dbraw/zinc/61/18/66/667611866.db2.gz DPBRHRGDPFMZPS-UHFFFAOYSA-N -1 3 363.395 0.610 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]3CCNC(=O)[C@@H]32)ccc1F ZINC000922444854 667653329 /nfs/dbraw/zinc/65/33/29/667653329.db2.gz DSSVXQIQUYUSJF-IINYFYTJSA-N -1 3 369.418 0.475 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)OC[C@H]2CCC3(COC3)O2)ccc1F ZINC000922514511 667661816 /nfs/dbraw/zinc/66/18/16/667661816.db2.gz BIRHSACXYUQICD-LLVKDONJSA-N -1 3 359.375 0.839 10 0 FCAEHM COc1ccc(C(=O)[N-]C(=O)CN2CCC(OCCCO)CC2)cc1 ZINC000756906480 667691231 /nfs/dbraw/zinc/69/12/31/667691231.db2.gz INHUXBWUHNRECH-UHFFFAOYSA-N -1 3 350.415 0.815 10 0 FCAEHM COCCCNC(=O)[C@@H](C)N1CCN(Cc2nc(C)cc(=O)[n-]2)CC1 ZINC000761877563 667896911 /nfs/dbraw/zinc/89/69/11/667896911.db2.gz WAIKEDBOOSSAEF-CQSZACIVSA-N -1 3 351.451 0.149 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@]2(CCO)CCOC2)ccc1F ZINC000762576045 667921987 /nfs/dbraw/zinc/92/19/87/667921987.db2.gz HZMOHSDXEJOCGX-OAHLLOKOSA-N -1 3 360.407 0.253 10 0 FCAEHM CCN1CCN(c2ccc(C(=O)[N-]S(=O)(=O)C[C@@H](C)OC)cc2)CC1 ZINC000764184138 667975796 /nfs/dbraw/zinc/97/57/96/667975796.db2.gz JUVWNRCGPYJINP-CQSZACIVSA-N -1 3 369.487 0.923 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](O)c2ccccn2)ccc1F ZINC000764976119 667997615 /nfs/dbraw/zinc/99/76/15/667997615.db2.gz ANJGATSUECKLKL-CYBMUJFWSA-N -1 3 353.375 0.592 10 0 FCAEHM CS(=O)(=O)CCCS(=O)(=O)[N-]Cc1nc(Cc2ccccc2)no1 ZINC000740890849 668008156 /nfs/dbraw/zinc/00/81/56/668008156.db2.gz ADDYUWWWHPHILH-UHFFFAOYSA-N -1 3 373.456 0.515 10 0 FCAEHM C[C@H](CO[N-]C(=O)CCC(=O)N1CCOCC1)NC(=O)OC(C)(C)C ZINC000767178876 668046838 /nfs/dbraw/zinc/04/68/38/668046838.db2.gz NRHIJIOMXSXALI-GFCCVEGCSA-N -1 3 359.423 0.586 10 0 FCAEHM COC[C@@H](NC(=O)c1c[n-]c2ccc(Br)cc2c1=O)C(N)=O ZINC000768122273 668069775 /nfs/dbraw/zinc/06/97/75/668069775.db2.gz VKUAIRKMBLJVQN-LLVKDONJSA-N -1 3 368.187 0.521 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccncc2N(C)C)ccc1F ZINC000774088062 668125196 /nfs/dbraw/zinc/12/51/96/668125196.db2.gz YDBJNLJNZGOXNG-UHFFFAOYSA-N -1 3 352.391 0.869 10 0 FCAEHM CS(=O)(=O)c1cccnc1CNC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000775741160 668229080 /nfs/dbraw/zinc/22/90/80/668229080.db2.gz PYLYEIHEBFXYHD-LCYFTJDESA-N -1 3 357.391 0.886 10 0 FCAEHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)O[C@H]1CC[C@H](S(C)(=O)=O)C1 ZINC000771619672 668263002 /nfs/dbraw/zinc/26/30/02/668263002.db2.gz PHFKVEZEDFICKG-GARJFASQSA-N -1 3 355.478 0.459 10 0 FCAEHM C[C@H]1CCN(CCN2C(=O)CNC2=O)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805786483 668727256 /nfs/dbraw/zinc/72/72/56/668727256.db2.gz XGLYUQIYUDWXFS-QXEWZRGKSA-N -1 3 350.341 0.316 10 0 FCAEHM CCCCOC(=O)C[N-]S(=O)(=O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000790024249 668869925 /nfs/dbraw/zinc/86/99/25/668869925.db2.gz CNKMNYFUUUNONE-UHFFFAOYSA-N -1 3 350.437 0.868 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@H](C(=O)C3CC3)C2)ccc1F ZINC000791256286 668887583 /nfs/dbraw/zinc/88/75/83/668887583.db2.gz WSLMXGNBKQBPDA-ZDUSSCGKSA-N -1 3 370.402 0.554 10 0 FCAEHM CCN1CN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)CC1=O ZINC000791985287 668897614 /nfs/dbraw/zinc/89/76/14/668897614.db2.gz GIZDCNHUPPJWLK-UHFFFAOYSA-N -1 3 357.407 0.774 10 0 FCAEHM CS(=O)(=O)N1CCCC[C@@H]1C[N-]S(=O)(=O)c1cccnc1Cl ZINC000796177922 669085505 /nfs/dbraw/zinc/08/55/05/669085505.db2.gz SVRYDSWHKYBAIY-SNVBAGLBSA-N -1 3 367.880 0.827 10 0 FCAEHM NS(=O)(=O)CCCCCCC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000832440668 669904139 /nfs/dbraw/zinc/90/41/39/669904139.db2.gz RCZNVCVYVFYIKH-UHFFFAOYSA-N -1 3 357.358 0.679 10 0 FCAEHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cn(C)nc2Br)[C@H]1OC ZINC000867107196 669941681 /nfs/dbraw/zinc/94/16/81/669941681.db2.gz RUSCUUFGFWGMFZ-QXFUBDJGSA-N -1 3 368.253 0.653 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)OCc1nn(C)cc1Cl ZINC000817179805 670003304 /nfs/dbraw/zinc/00/33/04/670003304.db2.gz CUAANFTZIHBBKO-UHFFFAOYSA-N -1 3 362.795 0.700 10 0 FCAEHM COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ncccc1[O-] ZINC000817599469 670018982 /nfs/dbraw/zinc/01/89/82/670018982.db2.gz ITRKFMAQDKAMPW-JTQLQIEISA-N -1 3 353.375 0.860 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CC2([S@](C)=O)CCC2)c(Br)n1 ZINC000867223101 670089114 /nfs/dbraw/zinc/08/91/14/670089114.db2.gz COHQYLZXSZHRMM-SFHVURJKSA-N -1 3 370.294 0.762 10 0 FCAEHM COC(=O)c1ccoc1S(=O)(=O)[N-]CCN1CCN(C)C(C)(C)C1 ZINC000867229733 670100280 /nfs/dbraw/zinc/10/02/80/670100280.db2.gz JGKLXZKXMBQREC-UHFFFAOYSA-N -1 3 359.448 0.371 10 0 FCAEHM CO[C@@H](C[N-]S(=O)(=O)c1cnn(C)c1Br)[C@H]1CCOC1 ZINC000867496592 670139260 /nfs/dbraw/zinc/13/92/60/670139260.db2.gz FVSPQJIBLXDEAL-IUCAKERBSA-N -1 3 368.253 0.512 10 0 FCAEHM CO[C@H](C[N-]S(=O)(=O)c1cnn(C)c1Br)[C@@H]1CCOC1 ZINC000867496593 670139693 /nfs/dbraw/zinc/13/96/93/670139693.db2.gz FVSPQJIBLXDEAL-RKDXNWHRSA-N -1 3 368.253 0.512 10 0 FCAEHM COCC[C@@H]([N-]S(=O)(=O)c1cn(C)nc1Br)C(=O)OC ZINC000867285287 670634448 /nfs/dbraw/zinc/63/44/48/670634448.db2.gz GCZDMQKJQXHJNQ-SSDOTTSWSA-N -1 3 370.225 0.039 10 0 FCAEHM CN1CCO[C@H](CS(=O)(=O)[N-]Cc2cc(Br)no2)C1 ZINC000867322903 670781568 /nfs/dbraw/zinc/78/15/68/670781568.db2.gz GZOYKJKAZYDXJZ-VIFPVBQESA-N -1 3 354.226 0.187 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)OC[C@@H]2CN(C3CC3)C(=O)O2)ccc1F ZINC000845132831 670968500 /nfs/dbraw/zinc/96/85/00/670968500.db2.gz ZWZDOJMUKPIFAU-NSHDSACASA-N -1 3 372.374 0.874 10 0 FCAEHM COC(=O)c1coc(S(=O)(=O)[N-]C(=O)C2CCN(C3CC3)CC2)c1 ZINC000845884006 671046677 /nfs/dbraw/zinc/04/66/77/671046677.db2.gz ZXQDMCRIZLITKH-UHFFFAOYSA-N -1 3 356.400 0.746 10 0 FCAEHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]CC[C@]2(O)CCOC2)c1 ZINC000845987542 671061862 /nfs/dbraw/zinc/06/18/62/671061862.db2.gz XTCYNFXDLAYLLJ-HNNXBMFYSA-N -1 3 361.391 0.822 10 0 FCAEHM O=C(c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)N1C[C@@H]2C[C@H]1C[S@]2=O ZINC000846558870 671126598 /nfs/dbraw/zinc/12/65/98/671126598.db2.gz IRGBWXLNOMPQLY-HDODXQBNSA-N -1 3 372.443 0.612 10 0 FCAEHM O=C(c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)N1CCn2nncc2C1 ZINC000847160860 671174479 /nfs/dbraw/zinc/17/44/79/671174479.db2.gz NXCNPKHZXSOSNE-UHFFFAOYSA-N -1 3 365.390 0.514 10 0 FCAEHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@H]1CCNC1=O ZINC000849409682 671339255 /nfs/dbraw/zinc/33/92/55/671339255.db2.gz CUEZCXKJXCKROR-QMMMGPOBSA-N -1 3 367.196 0.764 10 0 FCAEHM COCc1n[nH]c(C[N-]S(=O)(=O)c2c(Cl)nc3sccn32)n1 ZINC000849437656 671344985 /nfs/dbraw/zinc/34/49/85/671344985.db2.gz IMEQRHYXAXWHMG-UHFFFAOYSA-N -1 3 362.824 0.792 10 0 FCAEHM C[C@H]1CC[C@@H](NC(=O)NCc2nc(C(F)(F)F)n[n-]2)CS1(=O)=O ZINC000854004937 671563660 /nfs/dbraw/zinc/56/36/60/671563660.db2.gz LTYLGFDEJMBVOG-NKWVEPMBSA-N -1 3 355.342 0.588 10 0 FCAEHM O=C(NCCS(=O)(=O)CC(F)(F)F)c1cc(=O)[n-]c(C2CC2)n1 ZINC000855579372 671653512 /nfs/dbraw/zinc/65/35/12/671653512.db2.gz OMXIELZQTQDPTR-UHFFFAOYSA-N -1 3 353.322 0.767 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@](C)(CCF)C(=O)OC)ccc1F ZINC000855908944 671669222 /nfs/dbraw/zinc/66/92/22/671669222.db2.gz AMIQEJUXJAZIFL-AWEZNQCLSA-N -1 3 364.370 0.755 10 0 FCAEHM O=C(CNC(=O)c1ccc([O-])cc1)NCCS(=O)(=O)CC(F)(F)F ZINC000857314474 671724685 /nfs/dbraw/zinc/72/46/85/671724685.db2.gz NFOHCROXLHPTPS-UHFFFAOYSA-N -1 3 368.333 0.215 10 0 FCAEHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1COCCN1C ZINC000859335689 671816114 /nfs/dbraw/zinc/81/61/14/671816114.db2.gz FQPGFJHIOAUUTC-SECBINFHSA-N -1 3 363.823 0.131 10 0 FCAEHM COc1ccc(C(=O)[N-]C(=O)CN2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cc1 ZINC000859885043 671851089 /nfs/dbraw/zinc/85/10/89/671851089.db2.gz CELQMOWAHBKOHR-JPMUSVJPSA-N -1 3 350.440 0.937 10 0 FCAEHM CC(C)(C)OC(=O)N1CC[C@H]([C@@H](F)C(=O)[N-]c2nnc3[nH]cnn23)C1 ZINC000861763890 671992935 /nfs/dbraw/zinc/99/29/35/671992935.db2.gz CZFYBKYSBKWDQS-DTWKUNHWSA-N -1 3 353.358 0.986 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc(N3CCO[C@H](C)C3)nc2)nn1 ZINC000866501023 672278669 /nfs/dbraw/zinc/27/86/69/672278669.db2.gz XNNGSLBMPZQFKD-CYBMUJFWSA-N -1 3 363.443 0.884 10 0 FCAEHM C[C@H](CN1CCN(C)CC1)[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1 ZINC000866747003 672296594 /nfs/dbraw/zinc/29/65/94/672296594.db2.gz NGHWYIBVZUVNGF-QKFKETGDSA-N -1 3 374.532 0.614 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@@H]2CNCCC2(F)F)c(Br)n1 ZINC000866769192 672301870 /nfs/dbraw/zinc/30/18/70/672301870.db2.gz JZDZLPYUYXPJEJ-SSDOTTSWSA-N -1 3 359.196 0.458 10 0 FCAEHM CC[S@@](C)(=O)=NS(=O)(=O)[N-]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000866794204 672306826 /nfs/dbraw/zinc/30/68/26/672306826.db2.gz UKFZTCJZDHWYJQ-YEJXKQKISA-N -1 3 353.510 0.582 10 0 FCAEHM CCN1C[C@@H](C[N-]S(=O)(=O)c2cn(C)nc2Br)CC1=O ZINC000867461236 672319794 /nfs/dbraw/zinc/31/97/94/672319794.db2.gz MJNJBEDOXQZLDY-MRVPVSSYSA-N -1 3 365.253 0.329 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1)C(=O)OCc1ccccc1 ZINC000867482768 672323540 /nfs/dbraw/zinc/32/35/40/672323540.db2.gz DYHSQFBUUUPJKF-WFASDCNBSA-N -1 3 366.439 0.801 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CCO[C@@H]2CC2(F)F)c(Br)n1 ZINC000867511535 672328831 /nfs/dbraw/zinc/32/88/31/672328831.db2.gz YYBXQEVYNJUHFI-SSDOTTSWSA-N -1 3 360.180 0.885 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-][C@@H]2C[C@H](O)C23CCC3)c1Br ZINC000867518837 672330213 /nfs/dbraw/zinc/33/02/13/672330213.db2.gz HXPGETCXOCYJFG-BDAKNGLRSA-N -1 3 350.238 0.764 10 0 FCAEHM CCCN1CC[C@H]([N-]S(=O)(=O)c2cn(C)nc2Br)C1 ZINC000867527569 672331510 /nfs/dbraw/zinc/33/15/10/672331510.db2.gz GQVNRYRODPHYIA-VIFPVBQESA-N -1 3 351.270 0.945 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-]C[C@H](O)[C@H]2CCCO2)c1Br ZINC000867558185 672336878 /nfs/dbraw/zinc/33/68/78/672336878.db2.gz WOHVEMVANSHKER-JGVFFNPUSA-N -1 3 354.226 0.001 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-][C@H]2CCCN(CCF)C2)c1Br ZINC000867714267 672357944 /nfs/dbraw/zinc/35/79/44/672357944.db2.gz YWAGSBGUDYBFQM-VIFPVBQESA-N -1 3 369.260 0.895 10 0 FCAEHM CC[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000926327390 673823272 /nfs/dbraw/zinc/82/32/72/673823272.db2.gz VTDNENRIDVIWQT-RDTXWAMCSA-N -1 3 351.447 0.787 10 0 FCAEHM COCCOCCOCCN1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000929872788 673981968 /nfs/dbraw/zinc/98/19/68/673981968.db2.gz IPKZGBZOMLKCKG-UHFFFAOYSA-N -1 3 352.431 0.830 10 0 FCAEHM C[C@H]1CN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CC(=O)N1C ZINC000800651324 675686973 /nfs/dbraw/zinc/68/69/73/675686973.db2.gz UXCXVLXNZWZNHU-JTQLQIEISA-N -1 3 369.418 0.569 10 0 FCAEHM O=C(Cc1nc[nH]n1)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC001625855664 1168376696 /nfs/dbraw/zinc/37/66/96/1168376696.db2.gz PNMRQMZPJLGDHR-UHFFFAOYSA-N -1 3 361.786 0.234 10 0 FCAEHM O=C(COCC(F)F)N1C[C@H]2CCN(C(=O)c3cnc[n-]c3=O)C[C@H]2C1 ZINC001719579509 1168394358 /nfs/dbraw/zinc/39/43/58/1168394358.db2.gz MQPJBKTUHMQXBN-MNOVXSKESA-N -1 3 370.356 0.384 10 0 FCAEHM C[C@H](CC(N)=O)C(=O)N1C[C@@H]2CN(C(=O)c3ccccc3[O-])CC[C@@H]2C1 ZINC001719580351 1168432548 /nfs/dbraw/zinc/43/25/48/1168432548.db2.gz DHUTVWSNFLKHTH-MCIONIFRSA-N -1 3 359.426 0.824 10 0 FCAEHM COCCCOCC(=O)N1CC[C@H](NC(=O)c2c(C)nc[n-]c2=O)[C@H]1C ZINC001719637554 1171164423 /nfs/dbraw/zinc/16/44/23/1171164423.db2.gz CJFGMDOFWMRLPY-OLZOCXBDSA-N -1 3 366.418 0.263 10 0 FCAEHM O=C([C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898220711 1192862911 /nfs/dbraw/zinc/86/29/11/1192862911.db2.gz FKXUPVJWYORLHU-RRFJBIMHSA-N -1 3 374.441 0.872 10 0 FCAEHM Cn1c2cccc(C(=O)[N-]NC(=O)[C@H]3Cc4ccccc4O3)c2oc1=O ZINC000161814370 1179268698 /nfs/dbraw/zinc/26/86/98/1179268698.db2.gz CUSOAYAXUCDGON-CQSZACIVSA-N -1 3 353.334 0.896 10 0 FCAEHM CCC(=O)NCC(=O)N1C[C@H]2CN(C(=O)c3ccccc3[O-])C[C@@]2(C)C1 ZINC001719684906 1179365417 /nfs/dbraw/zinc/36/54/17/1179365417.db2.gz RFYGQRYWPQPBJA-ORAYPTAESA-N -1 3 359.426 0.839 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1c[nH]nc1I ZINC001627152317 1183209526 /nfs/dbraw/zinc/20/95/26/1183209526.db2.gz DVQKRJUWAAVUFS-LURJTMIESA-N -1 3 361.143 0.256 10 0 FCAEHM CC(C)C[C@H](CNCc1nc(=O)n(C)[n-]1)NC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001482388909 1188392866 /nfs/dbraw/zinc/39/28/66/1188392866.db2.gz FPDFHUZQZRMGAA-FMKPAKJESA-N -1 3 365.478 0.544 10 0 FCAEHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)C[C@H]3CCNC3=O)c2)[n-]1 ZINC001270989924 1189472206 /nfs/dbraw/zinc/47/22/06/1189472206.db2.gz MMBLUHOEUVIFPJ-CYBMUJFWSA-N -1 3 371.397 0.791 10 0 FCAEHM CCOC(=O)c1nc(-c2cccc(CNC(=O)C[C@H]3CCNC3=O)c2)n[n-]1 ZINC001270989924 1189472216 /nfs/dbraw/zinc/47/22/16/1189472216.db2.gz MMBLUHOEUVIFPJ-CYBMUJFWSA-N -1 3 371.397 0.791 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCO[C@H](C(F)F)CC1 ZINC001648963636 1189880384 /nfs/dbraw/zinc/88/03/84/1189880384.db2.gz JZAHAJOZBGALEW-JTQLQIEISA-N -1 3 367.374 0.452 10 0 FCAEHM COc1ccnc(N2CCN(C(=O)c3cc(=O)[n-]c(C4CC4)n3)CC2)n1 ZINC000553060949 1193968640 /nfs/dbraw/zinc/96/86/40/1193968640.db2.gz OQSDCZXFMDRZOW-UHFFFAOYSA-N -1 3 356.386 0.821 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000898733569 1194071473 /nfs/dbraw/zinc/07/14/73/1194071473.db2.gz HVIQDIWTWHRDHA-JQWIXIFHSA-N -1 3 364.352 0.946 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)[C@@H]3CCc4cnn(C)c4C3)CC2)n1 ZINC000899494981 1194162383 /nfs/dbraw/zinc/16/23/83/1194162383.db2.gz JCTSHIZBWXCKCB-CYBMUJFWSA-N -1 3 356.430 0.678 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)CCCCN3CCOCC3)CC2)n1 ZINC000899497841 1194163380 /nfs/dbraw/zinc/16/33/80/1194163380.db2.gz ADLULHBEJIBUQR-UHFFFAOYSA-N -1 3 363.462 0.642 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)[C@@H]3CCCN(C(=O)C4CC4)C3)CC2)n1 ZINC000899499895 1194163710 /nfs/dbraw/zinc/16/37/10/1194163710.db2.gz IQGYAJNIULZDNM-OAHLLOKOSA-N -1 3 373.457 0.788 10 0 FCAEHM O=C(COC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])N1CCNC1=O ZINC000046332251 1196611883 /nfs/dbraw/zinc/61/18/83/1196611883.db2.gz LXVKVIKLDDWWPP-GFCCVEGCSA-N -1 3 361.354 0.092 10 0 FCAEHM Cc1cc(N2CC[C@H](OC(=O)CNC(=O)c3ccc([O-])cc3)C2=O)n(C)n1 ZINC000744940241 1198342268 /nfs/dbraw/zinc/34/22/68/1198342268.db2.gz CAHWIOBTOYJMPF-AWEZNQCLSA-N -1 3 372.381 0.513 10 0 FCAEHM COC(=O)Nc1ccc(C(=O)OCC(=O)N[C@@H](C)C(=O)N(C)C)cc1[O-] ZINC000745655690 1198394637 /nfs/dbraw/zinc/39/46/37/1198394637.db2.gz LOXZQIXQHPIVBK-VIFPVBQESA-N -1 3 367.358 0.320 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(C(=O)NCc3cnn(C)n3)CC2)n[n-]1 ZINC000807569692 1202837660 /nfs/dbraw/zinc/83/76/60/1202837660.db2.gz QLFJXQZWCFWDEY-UHFFFAOYSA-N -1 3 362.394 0.199 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(C(=O)NCc3cnn(C)n3)CC2)[n-]1 ZINC000807569692 1202837662 /nfs/dbraw/zinc/83/76/62/1202837662.db2.gz QLFJXQZWCFWDEY-UHFFFAOYSA-N -1 3 362.394 0.199 10 0 FCAEHM CN1CC2(CN(C(=O)c3nn(-c4ccc(F)cc4)c(=O)cc3[O-])C2)OC1=O ZINC000817650386 1203111087 /nfs/dbraw/zinc/11/10/87/1203111087.db2.gz UMIGAHRNWJLHKE-UHFFFAOYSA-N -1 3 374.328 0.151 10 0 FCAEHM CN1CC2(CN(C(=O)c3nn(-c4ccc(F)cc4)c([O-])cc3=O)C2)OC1=O ZINC000817650386 1203111090 /nfs/dbraw/zinc/11/10/90/1203111090.db2.gz UMIGAHRNWJLHKE-UHFFFAOYSA-N -1 3 374.328 0.151 10 0 FCAEHM Cn1ncc2c1n(C)cc(C(=O)NCc1ccc(-c3nnn[n-]3)cc1)c2=O ZINC001136654992 1203244702 /nfs/dbraw/zinc/24/47/02/1203244702.db2.gz DAEANKIRNVFQJU-UHFFFAOYSA-N -1 3 364.369 0.382 10 0 FCAEHM Cn1ncc2c1n(C)cc(C(=O)NCc1ccc(-c3nn[n-]n3)cc1)c2=O ZINC001136654992 1203244710 /nfs/dbraw/zinc/24/47/10/1203244710.db2.gz DAEANKIRNVFQJU-UHFFFAOYSA-N -1 3 364.369 0.382 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 ZINC001144232947 1204439243 /nfs/dbraw/zinc/43/92/43/1204439243.db2.gz PGTZUQWSFARJQA-JQWIXIFHSA-N -1 3 364.352 0.946 10 0 FCAEHM CN1CCN(CCCOc2ccc(NC(=O)c3cc(=O)[nH][n-]3)cc2)CC1 ZINC000846446086 1204626357 /nfs/dbraw/zinc/62/63/57/1204626357.db2.gz IYEACDDSZDXLRA-UHFFFAOYSA-N -1 3 359.430 0.517 10 0 FCAEHM C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Cc2nnn[n-]2)CC1 ZINC001176780759 1206320029 /nfs/dbraw/zinc/32/00/29/1206320029.db2.gz ZRKWHLHWGRTDML-MFKMUULPSA-N -1 3 368.438 0.255 10 0 FCAEHM C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Cc2nn[n-]n2)CC1 ZINC001176780759 1206320033 /nfs/dbraw/zinc/32/00/33/1206320033.db2.gz ZRKWHLHWGRTDML-MFKMUULPSA-N -1 3 368.438 0.255 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccc(Cc2nnc[nH]2)cc1 ZINC001180027201 1206387861 /nfs/dbraw/zinc/38/78/61/1206387861.db2.gz GHSNYOVIHGWRPI-CQSZACIVSA-N -1 3 365.397 0.900 10 0 FCAEHM Cc1cc(NCCNC(=O)CCc2c(C)nc[n-]c2=O)n2ncnc2n1 ZINC001182492074 1206438673 /nfs/dbraw/zinc/43/86/73/1206438673.db2.gz YTSXIPWRMSZPKD-UHFFFAOYSA-N -1 3 356.390 0.398 10 0 FCAEHM C[C@]1(C(=O)N[C@H](CO)CNC(=O)c2cnc[n-]c2=O)C[C@@H]1c1ccccc1 ZINC001488024699 1208423056 /nfs/dbraw/zinc/42/30/56/1208423056.db2.gz JHUKNAXPRKDNBV-OHNRDTAOSA-N -1 3 370.409 0.583 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)N(CCNC(=O)c1cnc[n-]c1=O)CCOC ZINC001488537615 1208532339 /nfs/dbraw/zinc/53/23/39/1208532339.db2.gz LLUUKZSBOJZXQN-OCCSQVGLSA-N -1 3 366.418 0.202 10 0 FCAEHM Cn1cc(CNCc2cc(=O)[n-]c(CNC(=O)C[C@@H]3C[C@H]3C3CC3)n2)nn1 ZINC001489079705 1208621154 /nfs/dbraw/zinc/62/11/54/1208621154.db2.gz VHBWPOJMYOVTLD-WFASDCNBSA-N -1 3 371.445 0.653 10 0 FCAEHM CC[C@@H](CC(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1O)C(C)C ZINC001489381450 1208803714 /nfs/dbraw/zinc/80/37/14/1208803714.db2.gz LVSGVBNVVQEYEP-IACUBPJLSA-N -1 3 350.419 0.556 10 0 FCAEHM COCCC(=O)N[C@@H]1CN(C(=O)CCc2c(C)nc[n-]c2=O)C[C@H]1C ZINC001489426454 1208825420 /nfs/dbraw/zinc/82/54/20/1208825420.db2.gz PNOLXKNTJICTCR-BXUZGUMPSA-N -1 3 350.419 0.423 10 0 FCAEHM COCC1(C(=O)N2C[C@@H](NC(=O)c3cn[n-]n3)[C@H](OC)C2)CCCCC1 ZINC001489531559 1208893099 /nfs/dbraw/zinc/89/30/99/1208893099.db2.gz LULTVYZUECLKTC-ZIAGYGMSSA-N -1 3 365.434 0.357 10 0 FCAEHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)c3ccccc3[O-])[C@@H]2C1 ZINC001489635383 1209067728 /nfs/dbraw/zinc/06/77/28/1209067728.db2.gz MOKGCUBEWPINBM-UKRRQHHQSA-N -1 3 359.426 0.980 10 0 FCAEHM CCC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cnc[n-]c1=O ZINC001489695843 1209091678 /nfs/dbraw/zinc/09/16/78/1209091678.db2.gz MXNKHMBMQIATRX-CYZMBNFOSA-N -1 3 363.418 0.254 10 0 FCAEHM O=C(CCc1ncc[nH]1)N[C@@H]1CC[C@H](CNC(=O)c2cnc[n-]c2=O)C1 ZINC001489886068 1209106027 /nfs/dbraw/zinc/10/60/27/1209106027.db2.gz ZDGSUDPXIGYNJA-NWDGAFQWSA-N -1 3 358.402 0.553 10 0 FCAEHM CC/C=C(/C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001489912159 1209151840 /nfs/dbraw/zinc/15/18/40/1209151840.db2.gz IVJNQNUMVGPIGU-HDSBBYFRSA-N -1 3 357.418 0.619 10 0 FCAEHM CCCOCC(=O)N1C[C@@H](CNC(=O)c2cnc[n-]c2=O)[C@H](OCC)C1 ZINC001489926342 1209157999 /nfs/dbraw/zinc/15/79/99/1209157999.db2.gz OYMVHCFATFVPID-TZMCWYRMSA-N -1 3 366.418 0.202 10 0 FCAEHM CCO[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1OCC ZINC001489932133 1209165617 /nfs/dbraw/zinc/16/56/17/1209165617.db2.gz XHYDPUOQDUPJFW-OUCADQQQSA-N -1 3 366.418 0.201 10 0 FCAEHM CCC(CC)C(=O)NCc1nc(CNC(=O)[C@]23C[C@H]2COC3)cc(=O)[n-]1 ZINC001489975422 1209186264 /nfs/dbraw/zinc/18/62/64/1209186264.db2.gz UQDHQMRKLDWEOP-SGTLLEGYSA-N -1 3 362.430 0.887 10 0 FCAEHM CO[C@H](C)CC(=O)N[C@H]1CCN(C(=O)CCc2c(C)nc[n-]c2=O)[C@@H]1C ZINC001490078293 1209216113 /nfs/dbraw/zinc/21/61/13/1209216113.db2.gz MONGVNMRPXIGPS-KYOSRNDESA-N -1 3 364.446 0.954 10 0 FCAEHM CCOCCCC(=O)N1CC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@@H]2C1 ZINC001490042662 1209223801 /nfs/dbraw/zinc/22/38/01/1209223801.db2.gz QUPWJZOJEVUOTP-KGLIPLIRSA-N -1 3 362.430 0.919 10 0 FCAEHM CC(=O)N[C@@H](C)C(=O)N1CC[C@H](NC(=O)c2cccc3n[n-]nc32)[C@H]1C ZINC001490095274 1209253521 /nfs/dbraw/zinc/25/35/21/1209253521.db2.gz JQIIIMLQUXCQQG-CWSCBRNRSA-N -1 3 358.402 0.202 10 0 FCAEHM Cc1c[nH]c(C(=O)N2C[C@@H](C)[C@H](CCNC(=O)c3cnc[n-]c3=O)C2)n1 ZINC001490429534 1209351625 /nfs/dbraw/zinc/35/16/25/1209351625.db2.gz ZIYQISOQTPUIRM-ZYHUDNBSSA-N -1 3 358.402 0.742 10 0 FCAEHM CC(=O)NC1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cn[n-]n2)C3)CCCC1 ZINC001490652494 1209403781 /nfs/dbraw/zinc/40/37/81/1209403781.db2.gz TZHADGCJEALTTG-DYEKYZERSA-N -1 3 360.418 0.115 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cncn1)C2 ZINC001490743686 1209420984 /nfs/dbraw/zinc/42/09/84/1209420984.db2.gz MSOXVAWMAJBTNE-UPJWGTAASA-N -1 3 371.401 0.034 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@](C)(O)C1CC1)C2 ZINC001490780871 1209429394 /nfs/dbraw/zinc/42/93/94/1209429394.db2.gz MSPLAZKKKRSUGL-VYGYDYRJSA-N -1 3 374.441 0.903 10 0 FCAEHM CCOc1nnc(NC(=O)CCc2ccc(S(=O)(=O)NC)cc2)[n-]1 ZINC001649164587 1209879102 /nfs/dbraw/zinc/87/91/02/1209879102.db2.gz CRPJUMIOIKUFPY-UHFFFAOYSA-N -1 3 353.404 0.683 10 0 FCAEHM CCOc1nc(NC(=O)CCc2ccc(S(=O)(=O)NC)cc2)n[n-]1 ZINC001649164587 1209879105 /nfs/dbraw/zinc/87/91/05/1209879105.db2.gz CRPJUMIOIKUFPY-UHFFFAOYSA-N -1 3 353.404 0.683 10 0 FCAEHM CCOc1n[n-]c(NC(=O)CCc2ccc(S(=O)(=O)NC)cc2)n1 ZINC001649164587 1209879107 /nfs/dbraw/zinc/87/91/07/1209879107.db2.gz CRPJUMIOIKUFPY-UHFFFAOYSA-N -1 3 353.404 0.683 10 0 FCAEHM CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)[N-]c2nnc3[nH]cnn23)C1 ZINC000861764292 1209880879 /nfs/dbraw/zinc/88/08/79/1209880879.db2.gz MZXDUQUBCGMIML-BJOHPYRUSA-N -1 3 363.378 0.417 10 0 FCAEHM Cn1[n-]cc2c(=NC(=O)C(=O)NC[C@H]3CCN3C3CCCCC3)ccnc1-2 ZINC000861994746 1209891215 /nfs/dbraw/zinc/89/12/15/1209891215.db2.gz GCMJSFPEYSCODF-CQSZACIVSA-N -1 3 370.457 0.804 10 0 FCAEHM O=C(NC[C@@H](O)[C@@H]1CCCO1)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC000862652734 1209919602 /nfs/dbraw/zinc/91/96/02/1209919602.db2.gz BOFQHPMYVNTWGC-KGLIPLIRSA-N -1 3 363.345 0.144 10 0 FCAEHM O=C(NC[C@@H](O)[C@@H]1CCCO1)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000862652734 1209919604 /nfs/dbraw/zinc/91/96/04/1209919604.db2.gz BOFQHPMYVNTWGC-KGLIPLIRSA-N -1 3 363.345 0.144 10 0 FCAEHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)[C@@H]2CCc3nncn3CC2)CC1 ZINC000878186799 1210456328 /nfs/dbraw/zinc/45/63/28/1210456328.db2.gz NGZQTQKQQKBRRP-OAHLLOKOSA-N -1 3 369.425 0.921 10 0 FCAEHM COCCN1C[C@@H](C(=O)OCc2noc(-c3ccccc3[O-])n2)CC1=O ZINC000800129510 1210711764 /nfs/dbraw/zinc/71/17/64/1210711764.db2.gz QNKLCWRAMAMTJI-NSHDSACASA-N -1 3 361.354 0.980 10 0 FCAEHM CN(CCNC(=O)c1cccc2n[n-]nc21)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001296087588 1211091987 /nfs/dbraw/zinc/09/19/87/1211091987.db2.gz ZTMWESBKTZBIJV-MNOVXSKESA-N -1 3 358.402 0.048 10 0 FCAEHM O=C(CCN1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccccc1[O-] ZINC001490832154 1211465715 /nfs/dbraw/zinc/46/57/15/1211465715.db2.gz KCGQJVJBPGWYQJ-OIISXLGYSA-N -1 3 373.453 0.976 10 0 FCAEHM COC(=O)/C(C)=C\CNC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000925029822 1211489075 /nfs/dbraw/zinc/48/90/75/1211489075.db2.gz RMKFCDWIPSKICO-QPEQYQDCSA-N -1 3 361.398 0.979 10 0 FCAEHM COC(=O)[C@]12CN(C(=O)CNC(=O)c3ccc([O-])cc3)C[C@H]1COCC2 ZINC000795976813 1213328988 /nfs/dbraw/zinc/32/89/88/1213328988.db2.gz OQHHDRKVVCHMGK-SCLBCKFNSA-N -1 3 362.382 0.160 10 0 FCAEHM C[C@H](OC(=O)c1cc(F)cc2[n-]nnc21)C(=O)N(C)CC(=O)NC1CC1 ZINC000800264012 1217960185 /nfs/dbraw/zinc/96/01/85/1217960185.db2.gz UEIVFZBNWKPJSL-QMMMGPOBSA-N -1 3 363.349 0.379 10 0 FCAEHM C[C@H](OC(=O)c1cc(F)cc2nn[n-]c21)C(=O)N(C)CC(=O)NC1CC1 ZINC000800264012 1217960188 /nfs/dbraw/zinc/96/01/88/1217960188.db2.gz UEIVFZBNWKPJSL-QMMMGPOBSA-N -1 3 363.349 0.379 10 0 FCAEHM C[C@H](OC(=O)c1cc(F)cc2n[n-]nc21)C(=O)N(C)CC(=O)NC1CC1 ZINC000800264012 1217960193 /nfs/dbraw/zinc/96/01/93/1217960193.db2.gz UEIVFZBNWKPJSL-QMMMGPOBSA-N -1 3 363.349 0.379 10 0 FCAEHM O=c1[nH][n-]cc1-c1nnc(N2CCN(C3CC3)CC2)n1C[C@@H]1CCOC1 ZINC001123187931 1222323004 /nfs/dbraw/zinc/32/30/04/1222323004.db2.gz GKNNVULNMRMIGO-LBPRGKRZSA-N -1 3 359.434 0.695 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)C3CN([C@@H]4CCOC4)C3)CC2)n1 ZINC001123960665 1222369312 /nfs/dbraw/zinc/36/93/12/1222369312.db2.gz NVNNEWHEYONMCF-OAHLLOKOSA-N -1 3 361.446 0.296 10 0 FCAEHM COc1nnc(NC(=O)[C@@H]2COCCN2C(=O)OCc2ccccc2)[n-]1 ZINC000828263958 1222398364 /nfs/dbraw/zinc/39/83/64/1222398364.db2.gz QULQNIJXCOBKKQ-LBPRGKRZSA-N -1 3 361.358 0.789 10 0 FCAEHM COc1nc(NC(=O)[C@@H]2COCCN2C(=O)OCc2ccccc2)n[n-]1 ZINC000828263958 1222398369 /nfs/dbraw/zinc/39/83/69/1222398369.db2.gz QULQNIJXCOBKKQ-LBPRGKRZSA-N -1 3 361.358 0.789 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@@H]2COCCN2C(=O)OCc2ccccc2)n1 ZINC000828263958 1222398375 /nfs/dbraw/zinc/39/83/75/1222398375.db2.gz QULQNIJXCOBKKQ-LBPRGKRZSA-N -1 3 361.358 0.789 10 0 FCAEHM O=C(CN1CC[C@H](c2ccccc2)NC1=O)NCCCc1c[n-][nH]c1=O ZINC001149262352 1222881309 /nfs/dbraw/zinc/88/13/09/1222881309.db2.gz LOLYQPUZMRASFM-HUUCEWRRSA-N -1 3 357.414 0.771 10 0 FCAEHM COc1ccc(C(=O)NCCCC(=O)NCCCc2c[n-][nH]c2=O)cc1 ZINC001149261796 1222881347 /nfs/dbraw/zinc/88/13/47/1222881347.db2.gz FCCVGYPESYHXCO-CQSZACIVSA-N -1 3 360.414 0.833 10 0 FCAEHM Cn1[n-]c(CNC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccnc2)C2CC2)nc1=O ZINC001276665312 1223641062 /nfs/dbraw/zinc/64/10/62/1223641062.db2.gz MRJDBAKFOSCKDO-ZNMIVQPWSA-N -1 3 356.430 0.292 10 0 FCAEHM O=C(CNC(=O)c1ccc([O-])cc1)OCC(=O)N1CCOC[C@@H]1C1CC1 ZINC000766100630 1245306250 /nfs/dbraw/zinc/30/62/50/1245306250.db2.gz QHOOKNRQZFSOGO-OAHLLOKOSA-N -1 3 362.382 0.303 10 0 FCAEHM O=C(c1ncccc1[O-])N1CCCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC000940831665 1246394171 /nfs/dbraw/zinc/39/41/71/1246394171.db2.gz IJBHPOZRWPQIFO-CHWSQXEVSA-N -1 3 355.398 0.989 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)N1CCCN(C(=O)c2c(C)nc[n-]c2=O)CC1 ZINC000941880730 1246889581 /nfs/dbraw/zinc/88/95/81/1246889581.db2.gz JSJCBHFPLWDMBG-KGLIPLIRSA-N -1 3 362.430 0.980 10 0 FCAEHM CCCNC(=O)CCC(=O)NC[C@H]1CC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC001515109973 1265433021 /nfs/dbraw/zinc/43/30/21/1265433021.db2.gz WPOMYPGNKOULMI-NWDGAFQWSA-N -1 3 350.423 0.126 10 0 FCAEHM CCO[C@@H]1CN(C(=O)CC)C[C@H]1CNC(=O)CCc1c(C)nc[n-]c1=O ZINC001515201966 1265460922 /nfs/dbraw/zinc/46/09/22/1265460922.db2.gz UYUTULLYBHANEO-UKRRQHHQSA-N -1 3 364.446 0.813 10 0 FCAEHM CC(C)(C)CC(=O)NCc1nc(CNC(=O)[C@]23C[C@H]2COC3)cc(=O)[n-]1 ZINC001519536915 1265729683 /nfs/dbraw/zinc/72/96/83/1265729683.db2.gz QQTZRXHQVNRYKB-VOJFVSQTSA-N -1 3 362.430 0.887 10 0 FCAEHM CCCC(=O)N1CSC[C@@H]1C(=O)N1CCC(Cc2nnn[n-]2)CC1 ZINC001520523877 1265929138 /nfs/dbraw/zinc/92/91/38/1265929138.db2.gz LYJRRTJKVMNKQT-GFCCVEGCSA-N -1 3 352.464 0.682 10 0 FCAEHM CCCC(=O)N1CSC[C@@H]1C(=O)N1CCC(Cc2nn[n-]n2)CC1 ZINC001520523877 1265929143 /nfs/dbraw/zinc/92/91/43/1265929143.db2.gz LYJRRTJKVMNKQT-GFCCVEGCSA-N -1 3 352.464 0.682 10 0 FCAEHM CC[C@H](C)C(=O)NCC(=O)N1CC[C@H](NC(=O)c2cnc[n-]c2=O)[C@H]1C ZINC001520808949 1266006761 /nfs/dbraw/zinc/00/67/61/1266006761.db2.gz FEVRCCSEWBLICB-LOWVWBTDSA-N -1 3 363.418 0.064 10 0 FCAEHM CC(C)C[C@@H](C(N)=O)C(=O)N[C@H]1CCN(C(=O)c2cnc[n-]c2=O)[C@@H]1C ZINC001520836266 1266016155 /nfs/dbraw/zinc/01/61/55/1266016155.db2.gz HBFHOXIUTUYKNP-MDZLAQPJSA-N -1 3 363.418 0.049 10 0 FCAEHM Cc1nc(C)n(CCCC(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@H]2C)n1 ZINC001520858455 1266023209 /nfs/dbraw/zinc/02/32/09/1266023209.db2.gz LINYTTYOHTVFPD-MFKMUULPSA-N -1 3 360.422 0.213 10 0 FCAEHM CCOCC(=O)NC[C@@H]1CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C[C@H]1C ZINC001521762777 1266172647 /nfs/dbraw/zinc/17/26/47/1266172647.db2.gz GXTBIGJPZYFXCR-DGCLKSJQSA-N -1 3 362.430 0.920 10 0 FCAEHM Nc1nn2c([n-]1)nc(CN1C[C@H](c3ccccc3)[C@](F)(CO)C1)cc2=O ZINC001331329168 1266195450 /nfs/dbraw/zinc/19/54/50/1266195450.db2.gz ZLXHRXMPAASVIV-CXAGYDPISA-N -1 3 358.377 0.300 10 0 FCAEHM COCC1(CC(=O)N2C[C@@H](CNC(=O)c3cnc[n-]c3=O)[C@H](C)C2)CC1 ZINC001521922831 1266226778 /nfs/dbraw/zinc/22/67/78/1266226778.db2.gz YOSJIMPOKOGCTO-CHWSQXEVSA-N -1 3 362.430 0.823 10 0 FCAEHM COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(CN(C)C)cc2)C1 ZINC001335448934 1259667800 /nfs/dbraw/zinc/66/78/00/1259667800.db2.gz OGBKAFDUIGYJSB-MRXNPFEDSA-N -1 3 356.444 0.860 10 0 FCAEHM CC(=O)NC[C@@H]1CCCN(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)C1 ZINC001251450775 1259748765 /nfs/dbraw/zinc/74/87/65/1259748765.db2.gz GMIAPAYUAJPXJP-KBPBESRZSA-N -1 3 362.434 0.319 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@H](C1CC1)N(C)C(=O)[C@]12C[C@H]1COC2 ZINC001336925423 1260254738 /nfs/dbraw/zinc/25/47/38/1260254738.db2.gz VLCWMAYMERWDHX-JCGVRSQUSA-N -1 3 360.414 0.494 10 0 FCAEHM Cn1[n-]c(CN[C@H](CNC(=O)[C@@H]2C[C@H]2c2cccnc2)C2CC2)nc1=O ZINC001265372189 1260412770 /nfs/dbraw/zinc/41/27/70/1260412770.db2.gz DFWGWRZWAGFHHN-RRFJBIMHSA-N -1 3 356.430 0.292 10 0 FCAEHM C[C@@H]1CN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)[C@H](C)CCO1 ZINC001337657674 1260449700 /nfs/dbraw/zinc/44/97/00/1260449700.db2.gz FKBFSZRVEMXPPW-RKDXNWHRSA-N -1 3 360.208 0.737 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H](CO)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001337779328 1260482454 /nfs/dbraw/zinc/48/24/54/1260482454.db2.gz GRRUOEYFYKIWFV-RFQIPJPRSA-N -1 3 362.430 0.524 10 0 FCAEHM C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001332389717 1266392356 /nfs/dbraw/zinc/39/23/56/1266392356.db2.gz AIXMDJFDNZSCII-ZIAGYGMSSA-N -1 3 369.462 0.221 10 0 FCAEHM CC[C@H](C)C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)n1 ZINC001282234866 1261387853 /nfs/dbraw/zinc/38/78/53/1261387853.db2.gz RVEZREJBWKKXQF-MAXXOLAJSA-N -1 3 374.441 0.884 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NCc1nc(CNC(=O)Cc2cncnc2)cc(=O)[n-]1 ZINC001282232949 1261388138 /nfs/dbraw/zinc/38/81/38/1261388138.db2.gz KMQBVJTWGFLUGO-TZMCWYRMSA-N -1 3 370.413 0.493 10 0 FCAEHM COC(=O)NCC(=O)N1CC[C@H](NC(=O)c2cccc3n[n-]nc32)[C@H]1C ZINC001282347647 1261419363 /nfs/dbraw/zinc/41/93/63/1261419363.db2.gz XAMPEFSSZRHSJB-KOLCDFICSA-N -1 3 360.374 0.033 10 0 FCAEHM NS(=O)(=O)c1ccc([O-])c(C(=O)NC[C@@H]2CCN2C2CCOCC2)c1 ZINC001472070308 1261430682 /nfs/dbraw/zinc/43/06/82/1261430682.db2.gz YWTORBLQKISLHN-LBPRGKRZSA-N -1 3 369.443 0.023 10 0 FCAEHM CNC(=O)CC(=O)N1CC[C@H](NC(=O)c2nnc3ccccc3c2[O-])[C@H]1C ZINC001282394171 1261444983 /nfs/dbraw/zinc/44/49/83/1261444983.db2.gz NXXMVKWBYUIJJI-PWSUYJOCSA-N -1 3 371.397 0.191 10 0 FCAEHM O=C(CCc1nc2cccnc2[nH]1)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001472254678 1261455517 /nfs/dbraw/zinc/45/55/17/1261455517.db2.gz ZGMBCOPABZXKNX-NSHDSACASA-N -1 3 353.386 0.781 10 0 FCAEHM CO[C@H]1CCn2cc(C(=O)N[C@H]3CCN(c4cc(=O)[n-]cn4)C3)nc2C1 ZINC001472254062 1261456036 /nfs/dbraw/zinc/45/60/36/1261456036.db2.gz IFTRZLSGIAYGPP-RYUDHWBXSA-N -1 3 358.402 0.349 10 0 FCAEHM C[C@@H]1CN(C(=O)C(=O)NCC(F)F)C[C@H]1CNC(=O)c1ccccc1[O-] ZINC001282460609 1261464555 /nfs/dbraw/zinc/46/45/55/1261464555.db2.gz WMNHWEIYCZAJRT-GHMZBOCLSA-N -1 3 369.368 0.598 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)NCc1ncccc1S(C)(=O)=O ZINC001472555958 1261475231 /nfs/dbraw/zinc/47/52/31/1261475231.db2.gz BZNKNVFPFVQKFD-UHFFFAOYSA-N -1 3 350.400 0.538 10 0 FCAEHM COCC(=O)NCC[C@@H]1CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C[C@H]1C ZINC001282515799 1261499248 /nfs/dbraw/zinc/49/92/48/1261499248.db2.gz HEFJHRNPLDVARJ-DGCLKSJQSA-N -1 3 362.430 0.920 10 0 FCAEHM Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@H](CCNC(=O)CN3CCCC3)C2)c1[O-] ZINC001282543259 1261517759 /nfs/dbraw/zinc/51/77/59/1261517759.db2.gz WJWVPSOIAGWAQV-TZMCWYRMSA-N -1 3 363.462 0.734 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CCNC(=O)[C@]1(F)CCOC1 ZINC001282556934 1261528566 /nfs/dbraw/zinc/52/85/66/1261528566.db2.gz ZSYOQUZCWCJLRH-QFSBIZTOSA-N -1 3 366.393 0.525 10 0 FCAEHM Cc1cnc(COCC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cn[n-]n2)C3)o1 ZINC001282761707 1261616538 /nfs/dbraw/zinc/61/65/38/1261616538.db2.gz QUTQPDURGQYYTI-WZRBSPASSA-N -1 3 360.374 0.180 10 0 FCAEHM CN(CCNC(=O)c1nnc2ccccc2c1[O-])C(=O)[C@]12C[C@H]1COC2 ZINC001284593495 1261769467 /nfs/dbraw/zinc/76/94/67/1261769467.db2.gz VUQGPHWMVHQOGA-VOJFVSQTSA-N -1 3 356.382 0.560 10 0 FCAEHM CCN(CCNC(=O)c1c(C)nc[n-]c1=O)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001284640136 1261774832 /nfs/dbraw/zinc/77/48/32/1261774832.db2.gz UJRTVPKIMCKEEA-VXGBXAGGSA-N -1 3 358.402 0.596 10 0 FCAEHM O=C(NC/C=C/CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)c1cnc[n-]c1=O ZINC001285580322 1261855458 /nfs/dbraw/zinc/85/54/58/1261855458.db2.gz OXUFVCNYGLQXLF-OHVOQOPOSA-N -1 3 360.414 0.647 10 0 FCAEHM C/C=C(/C)C(=O)N[C@@H]1CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C[C@H]1OC ZINC001289464635 1262211314 /nfs/dbraw/zinc/21/13/14/1262211314.db2.gz ONIVPPUUVJFEAY-WADSTATCSA-N -1 3 360.414 0.981 10 0 FCAEHM CCO[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CNC(=O)[C@H](CC)OC ZINC001290262632 1262415248 /nfs/dbraw/zinc/41/52/48/1262415248.db2.gz SVOMUHPHJJSMIK-KWCYVHTRSA-N -1 3 366.418 0.201 10 0 FCAEHM CC(=O)N[C@@H](C(=O)N[C@H]1CCN(C(=O)c2cnc[n-]c2=O)[C@@H]1C)C(C)C ZINC001290689068 1262495677 /nfs/dbraw/zinc/49/56/77/1262495677.db2.gz LJMNIRLHBNEJBV-DDTOSNHZSA-N -1 3 363.418 0.062 10 0 FCAEHM CC[C@@H](NC(C)=O)C(=O)N1CC[C@H](NC(=O)c2c(C)nc[n-]c2=O)[C@H]1C ZINC001290703293 1262498015 /nfs/dbraw/zinc/49/80/15/1262498015.db2.gz RUEBZCAJIYNVNX-RTXFEEFZSA-N -1 3 363.418 0.125 10 0 FCAEHM CO[C@@H](C(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2cnc[n-]c2=O)C1)C1CC1 ZINC001291633924 1262570476 /nfs/dbraw/zinc/57/04/76/1262570476.db2.gz LJLZIWQXGKRLBB-UXIGCNINSA-N -1 3 362.430 0.822 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)COCC(F)F ZINC001291974266 1262623396 /nfs/dbraw/zinc/62/33/96/1262623396.db2.gz GXNBFTXUZAKMSC-VWYCJHECSA-N -1 3 370.356 0.634 10 0 FCAEHM CO[C@H](C)CC(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)c2cnc[n-]c2=O)C1 ZINC001292343765 1262687928 /nfs/dbraw/zinc/68/79/28/1262687928.db2.gz PDTWVJDALSWFHF-VBHSOAQHSA-N -1 3 362.430 0.966 10 0 FCAEHM CCOC(=O)CN(CC)C(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001292966376 1262706442 /nfs/dbraw/zinc/70/64/42/1262706442.db2.gz KYCIXAONCXWAFD-UHFFFAOYSA-N -1 3 363.345 0.899 10 0 FCAEHM CCOC(=O)CN(CC)C(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001292966376 1262706448 /nfs/dbraw/zinc/70/64/48/1262706448.db2.gz KYCIXAONCXWAFD-UHFFFAOYSA-N -1 3 363.345 0.899 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)N1CCN(CCNC(=O)c2cccc3n[n-]nc32)CC1 ZINC001294680221 1262740486 /nfs/dbraw/zinc/74/04/86/1262740486.db2.gz GGUDECDQUIVMAJ-UKRRQHHQSA-N -1 3 370.457 0.878 10 0 FCAEHM C[C@H](CO[N-]C(=O)CCC(=O)N1CCC(O)CC1)NC(=O)OC(C)(C)C ZINC001295153394 1262758995 /nfs/dbraw/zinc/75/89/95/1262758995.db2.gz ATXINPHNSBKYBE-GFCCVEGCSA-N -1 3 373.450 0.711 10 0 FCAEHM C[C@H](CNC(=O)c1cc(=O)[n-]c(C2CC2)n1)NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001295532233 1262769672 /nfs/dbraw/zinc/76/96/72/1262769672.db2.gz KUQDIHCIPRHVNN-YUSALJHKSA-N -1 3 370.413 0.821 10 0 FCAEHM CCN(C(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])[C@@H]1CCNC1=O ZINC001296985975 1262845415 /nfs/dbraw/zinc/84/54/15/1262845415.db2.gz AMMXVAUQTROSQF-GFCCVEGCSA-N -1 3 360.345 0.225 10 0 FCAEHM CCN(C(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O)[C@@H]1CCNC1=O ZINC001296985975 1262845423 /nfs/dbraw/zinc/84/54/23/1262845423.db2.gz AMMXVAUQTROSQF-GFCCVEGCSA-N -1 3 360.345 0.225 10 0 FCAEHM CO[C@@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])C[C@@H]1OC ZINC001297336488 1262862582 /nfs/dbraw/zinc/86/25/82/1262862582.db2.gz YAFYMWNHOGMINK-OKILXGFUSA-N -1 3 363.345 0.360 10 0 FCAEHM CO[C@@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)C[C@@H]1OC ZINC001297336488 1262862584 /nfs/dbraw/zinc/86/25/84/1262862584.db2.gz YAFYMWNHOGMINK-OKILXGFUSA-N -1 3 363.345 0.360 10 0 FCAEHM CC[C@H](CNC(=O)c1cccc2n[n-]nc21)NC(=O)[C@H]1OCCO[C@H]1C ZINC001297406518 1262864627 /nfs/dbraw/zinc/86/46/27/1262864627.db2.gz UYVMYHULSCVTBN-RWSFTLGLSA-N -1 3 361.402 0.386 10 0 FCAEHM O=C(NC/C=C/CNC(=O)[C@]12C[C@H]1COC2)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001298435709 1262927400 /nfs/dbraw/zinc/92/74/00/1262927400.db2.gz ZYTFEYUPLATTOM-DFLZSFGZSA-N -1 3 369.377 0.009 10 0 FCAEHM CC(=O)c1cccc(NC(=O)c2cc3c(n2C)n(C)c(=O)n(C)c3=O)c1[O-] ZINC001298744506 1262940464 /nfs/dbraw/zinc/94/04/64/1262940464.db2.gz LQPKPPAQLVHAKB-UHFFFAOYSA-N -1 3 370.365 0.736 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)[C@@H]3CCC4N=NC(=O)N4C3)cc2n(C)c1=O ZINC001298800674 1262942607 /nfs/dbraw/zinc/94/26/07/1262942607.db2.gz TYTGOYBYNJRCHY-MRVPVSSYSA-N -1 3 358.358 0.081 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001298889504 1262948680 /nfs/dbraw/zinc/94/86/80/1262948680.db2.gz RPNDPWWWYYDAJM-TVYUQYBPSA-N -1 3 358.402 0.262 10 0 FCAEHM CSC[C@@H](C)C(=O)N1CC[C@@H](C)C[C@H]1CNCc1nc(=O)n(C)[n-]1 ZINC001479557579 1263253466 /nfs/dbraw/zinc/25/34/66/1263253466.db2.gz PNXFTEKSECHJGY-UPJWGTAASA-N -1 3 355.508 0.824 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2c(C)nc[n-]c2=O)CCN1CC(=O)NCC1CC1 ZINC001479640802 1263292239 /nfs/dbraw/zinc/29/22/39/1263292239.db2.gz ZHPWAQJYWACOEN-UONOGXRCSA-N -1 3 361.446 0.600 10 0 FCAEHM CC(=O)N[C@](C)(C(=O)NC[C@H]1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1)C(C)C ZINC001316667221 1263408997 /nfs/dbraw/zinc/40/89/97/1263408997.db2.gz RQMPQUABAGGCIG-AHIWAGSCSA-N -1 3 366.466 0.436 10 0 FCAEHM C[C@@H]1CCCN(C(=O)c2cn(C)nn2)[C@@H]1CCCNCc1n[nH]c(=O)[n-]1 ZINC001316714592 1263435680 /nfs/dbraw/zinc/43/56/80/1263435680.db2.gz VDRDDWWEILMIFO-DGCLKSJQSA-N -1 3 362.438 0.450 10 0 FCAEHM COC(=O)NCC(=O)N[C@H]1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)[C@@H]1C ZINC001316777616 1263469110 /nfs/dbraw/zinc/46/91/10/1263469110.db2.gz XVSGEYIPHIMHPV-MFKMUULPSA-N -1 3 363.418 0.495 10 0 FCAEHM CN(CCCN(C)C(=O)[C@@H]1CCO[C@H]1C1CC1)Cc1nc(=O)n(C)[n-]1 ZINC001484751078 1263484319 /nfs/dbraw/zinc/48/43/19/1263484319.db2.gz QZLGFYBGZFSYSH-HIFRSBDPSA-N -1 3 351.451 0.204 10 0 FCAEHM CC(C)[C@@H](CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1)NCc1n[nH]c(=O)[n-]1 ZINC001485435193 1263506886 /nfs/dbraw/zinc/50/68/86/1263506886.db2.gz WRRWHUPCQGIFES-JHJVBQTASA-N -1 3 361.450 1.000 10 0 FCAEHM CCCN(CCNC(=O)c1cnc[n-]c1=O)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001497277302 1263922983 /nfs/dbraw/zinc/92/29/83/1263922983.db2.gz IERSFLXDKSQEBM-NEPJUHHUSA-N -1 3 363.418 0.052 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)NCC1CN(C(=O)[C@]23C[C@H]2COC3)C1 ZINC001498610412 1263979164 /nfs/dbraw/zinc/97/91/64/1263979164.db2.gz WIECWRMVBRYEBN-UGSOOPFHSA-N -1 3 360.414 0.034 10 0 FCAEHM COc1ccnc(N2CCN(C(=O)CCc3c(C)nc[n-]c3=O)CC2)n1 ZINC001322053426 1264138725 /nfs/dbraw/zinc/13/87/25/1264138725.db2.gz ZSEQXHBHAJDRPN-UHFFFAOYSA-N -1 3 358.402 0.571 10 0 FCAEHM CC(C)C[C@@H]1C[C@H]1C(=O)N1CCC[C@@](CO)(NCc2nc(=O)n(C)[n-]2)C1 ZINC001502588383 1264177710 /nfs/dbraw/zinc/17/77/10/1264177710.db2.gz DOMFKIZXWIJZDG-HBUWYVDXSA-N -1 3 365.478 0.234 10 0 FCAEHM CCCC[C@@H](CNCc1nc(=O)n(C)[n-]1)NC(=O)[C@]12CCC[C@H]1OCC2 ZINC001506540436 1264325864 /nfs/dbraw/zinc/32/58/64/1264325864.db2.gz SJYLQVBHMSROIC-IYOUNJFTSA-N -1 3 365.478 0.832 10 0 FCAEHM CN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[C@H](CNC(=O)c1cnc[n-]c1=O)C1CC1 ZINC001510378507 1264496729 /nfs/dbraw/zinc/49/67/29/1264496729.db2.gz ZGMIEGPZMQRWID-MOBYMJLASA-N -1 3 372.425 0.572 10 0 FCAEHM O=C(N[C@@H](CO)CNC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F)c1cn[n-]n1 ZINC001510995668 1264529666 /nfs/dbraw/zinc/52/96/66/1264529666.db2.gz YBKXBQROPXMOTR-OPRDCNLKSA-N -1 3 363.340 0.380 10 0 FCAEHM CCC(C)(C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001513029259 1264869361 /nfs/dbraw/zinc/86/93/61/1264869361.db2.gz IPYVQPBEMWVSMN-VXGBXAGGSA-N -1 3 350.419 0.618 10 0 FCAEHM CNC(=O)c1cccc(C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)n1 ZINC001326112666 1265058888 /nfs/dbraw/zinc/05/88/88/1265058888.db2.gz QOBPHEQHLSYFBP-UHFFFAOYSA-N -1 3 355.354 0.590 10 0 FCAEHM CCCC[C@](C)(F)C(=O)N1C[C@@H](NC(=O)c2c(C)nc[n-]c2=O)[C@@H](O)C1 ZINC001513612736 1265242018 /nfs/dbraw/zinc/24/20/18/1265242018.db2.gz VQHPIKKOACYMSW-PEBVRCNWSA-N -1 3 368.409 0.711 10 0 FCAEHM C[C@H](CNC(=O)N1CCc2occc2[C@@H]1C(=O)[O-])CN1CCN(C)CC1 ZINC001332595099 1266436669 /nfs/dbraw/zinc/43/66/69/1266436669.db2.gz CCJLRYDQYYYIEQ-CZUORRHYSA-N -1 3 364.446 0.857 10 0 FCAEHM CC(C)C[C@@H](C(N)=O)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2cn[n-]n2)C1 ZINC001522373207 1266524204 /nfs/dbraw/zinc/52/42/04/1266524204.db2.gz BXWPFDNKQXXEHE-PRXAMGSTSA-N -1 3 362.434 0.063 10 0 FCAEHM CC[C@H](CNC(=O)c1c(C)nc[n-]c1=O)NC(=O)[C@H]1OCC[C@H]1CC ZINC001531412880 1267134887 /nfs/dbraw/zinc/13/48/87/1267134887.db2.gz IFQJZUDMTIRBJF-BZPMIXESSA-N -1 3 350.419 0.930 10 0 FCAEHM Cn1cncc1[C@@H]1C[C@H]1C(=O)NC/C=C\CNC(=O)c1cnc[n-]c1=O ZINC001533545953 1267225822 /nfs/dbraw/zinc/22/58/22/1267225822.db2.gz JFZGGZKPUHTMKX-JDEDCZITSA-N -1 3 356.386 0.122 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)NC[C@@H](C)NC(=O)CCc1c(C)nc[n-]c1=O ZINC001533808771 1267239824 /nfs/dbraw/zinc/23/98/24/1267239824.db2.gz SAIYHHFTPKZEJV-KFNAQCHYSA-N -1 3 364.446 0.859 10 0 FCAEHM C[C@H]1C[C@@H](NC(=O)C(=O)NCc2nc(C(F)(F)F)n[n-]2)CCS1 ZINC001334951953 1267246162 /nfs/dbraw/zinc/24/61/62/1267246162.db2.gz UWCOVWMMQHXTOL-BQBZGAKWSA-N -1 3 351.354 0.840 10 0 FCAEHM CC1(C)COc2c(S(=O)(=O)[N-][C@@H](CO)CC(F)(F)F)cnn2C1 ZINC001335136932 1267356907 /nfs/dbraw/zinc/35/69/07/1267356907.db2.gz OPSYITCRJZAQDX-MRVPVSSYSA-N -1 3 357.354 0.893 10 0 FCAEHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)COCc1cc[nH]c(=O)c1 ZINC001537579400 1267375431 /nfs/dbraw/zinc/37/54/31/1267375431.db2.gz GYGNYVVGHYBPOW-UHFFFAOYSA-N -1 3 363.326 0.844 10 0 FCAEHM COc1cccc([C@H](CNC(=O)CCCn2c(=O)[n-][nH]c2=O)N(C)C)c1 ZINC001540528007 1267451325 /nfs/dbraw/zinc/45/13/25/1267451325.db2.gz WTKFHXTYXWHNGJ-AWEZNQCLSA-N -1 3 363.418 0.897 10 0 FCAEHM CCCNC(=O)CN1CCC(NC(=O)c2cnc(C3CC3)[n-]c2=O)CC1 ZINC001540938990 1267470889 /nfs/dbraw/zinc/47/08/89/1267470889.db2.gz IWYLFVRHBRCCPV-UHFFFAOYSA-N -1 3 361.446 0.780 10 0 FCAEHM CC(=O)NC1CCN(C(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])CC1 ZINC001544636999 1267588792 /nfs/dbraw/zinc/58/87/92/1267588792.db2.gz GUIQOMTVPNATKY-UHFFFAOYSA-N -1 3 374.372 0.615 10 0 FCAEHM CC(=O)NC1CCN(C(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)CC1 ZINC001544636999 1267588797 /nfs/dbraw/zinc/58/87/97/1267588797.db2.gz GUIQOMTVPNATKY-UHFFFAOYSA-N -1 3 374.372 0.615 10 0 FCAEHM COC1CCN(CCNC(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)CC1 ZINC001545130219 1267605354 /nfs/dbraw/zinc/60/53/54/1267605354.db2.gz GGFKZIJFGSOTMO-UHFFFAOYSA-N -1 3 361.402 0.107 10 0 FCAEHM O=C([O-])CC[C@H]1C[C@H](C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CO1 ZINC001339151440 1268176276 /nfs/dbraw/zinc/17/62/76/1268176276.db2.gz KFPVJXQMVDETGO-GJZGRUSLSA-N -1 3 367.446 0.023 10 0 FCAEHM CCO[C@@H](CC)C(=O)N1CC[C@H]2CN(C(=O)c3c(C)nc[n-]c3=O)C[C@H]21 ZINC001340930605 1268713922 /nfs/dbraw/zinc/71/39/22/1268713922.db2.gz UEVZUFGUSRDDJF-MJBXVCDLSA-N -1 3 362.430 0.979 10 0 FCAEHM CN1C[C@H](C(=O)Nc2ncccc2[O-])N(C(=O)OC(C)(C)C)CC1=O ZINC001556164587 1268822770 /nfs/dbraw/zinc/82/27/70/1268822770.db2.gz JZLUQLSUNAXUDO-SNVBAGLBSA-N -1 3 350.375 0.803 10 0 FCAEHM COC(=O)[C@@H]1O[C@@H](C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)C[C@H]1C ZINC001556869866 1268902308 /nfs/dbraw/zinc/90/23/08/1268902308.db2.gz XHWWSAJDETWEFG-GFWSLJDESA-N -1 3 363.370 0.488 10 0 FCAEHM CN(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)o1 ZINC001557316869 1268942345 /nfs/dbraw/zinc/94/23/45/1268942345.db2.gz PBIDLCKFXAKNNI-SECBINFHSA-N -1 3 354.388 0.588 10 0 FCAEHM O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001557318785 1268942691 /nfs/dbraw/zinc/94/26/91/1268942691.db2.gz IHZZJQNBUZSFEF-UHFFFAOYSA-N -1 3 373.394 0.593 10 0 FCAEHM Cc1cnc(S(C)(=O)=O)nc1C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001557320884 1268943842 /nfs/dbraw/zinc/94/38/42/1268943842.db2.gz UTIPMEAIRCSFLH-VIFPVBQESA-N -1 3 351.388 0.247 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)[C@H](O)[C@H](O)c1nc2ccccc2s1 ZINC001557702521 1268968025 /nfs/dbraw/zinc/96/80/25/1268968025.db2.gz WFYDEJFPVPQBID-BIMULSAOSA-N -1 3 362.411 0.319 10 0 FCAEHM COc1cc(OC)cc(C(=O)NCC(=O)NCCCc2c[n-][nH]c2=O)c1 ZINC001557700965 1268968214 /nfs/dbraw/zinc/96/82/14/1268968214.db2.gz FDJCXOXNFXDVCV-LLVKDONJSA-N -1 3 362.386 0.062 10 0 FCAEHM O=C(C[C@H]1CS(=O)(=O)c2ccccc2O1)NCCCc1c[n-][nH]c1=O ZINC001557700820 1268968369 /nfs/dbraw/zinc/96/83/69/1268968369.db2.gz AOGGBAABJRTTMB-NEPJUHHUSA-N -1 3 365.411 0.240 10 0 FCAEHM NC(=O)[C@H]1CCCN(c2ccc(C(=O)NCCCc3c[n-][nH]c3=O)cc2)C1 ZINC001557701208 1268968441 /nfs/dbraw/zinc/96/84/41/1268968441.db2.gz GWWHDOZWCCRFEW-GJZGRUSLSA-N -1 3 371.441 0.630 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)c3c(C)c(C)nn(C)c3=O)CC2)n1 ZINC001558397832 1269083967 /nfs/dbraw/zinc/08/39/67/1269083967.db2.gz SEKUQIFHIJXDAG-UHFFFAOYSA-N -1 3 358.402 0.164 10 0 FCAEHM Cc1cnc2c(cnn2CC(=O)N2CCN(c3nc(C)cc(=O)[n-]3)CC2)c1 ZINC001558399299 1269084004 /nfs/dbraw/zinc/08/40/04/1269084004.db2.gz OMIZVKAYOZCRCD-UHFFFAOYSA-N -1 3 367.413 0.893 10 0 FCAEHM CCN1CCN(C2CN(C(=O)c3nc[n-]c(=O)c3Br)C2)CC1 ZINC001558537692 1269107596 /nfs/dbraw/zinc/10/75/96/1269107596.db2.gz RXNGMOKDNYGPAF-UHFFFAOYSA-N -1 3 370.251 0.407 10 0 FCAEHM CC(C)OC(=O)c1cc(NC(=O)[C@@H]2C[C@H](O)CN2c2ccncn2)[n-]n1 ZINC001558560025 1269113604 /nfs/dbraw/zinc/11/36/04/1269113604.db2.gz OHOJMWKTIYAQBD-JQWIXIFHSA-N -1 3 360.374 0.343 10 0 FCAEHM CC(C)OC(=O)c1cc(NC(=O)[C@@H]2C[C@H](O)CN2c2ccncn2)n[n-]1 ZINC001558560025 1269113609 /nfs/dbraw/zinc/11/36/09/1269113609.db2.gz OHOJMWKTIYAQBD-JQWIXIFHSA-N -1 3 360.374 0.343 10 0 FCAEHM CNS(=O)(=O)CC(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001558687623 1269131503 /nfs/dbraw/zinc/13/15/03/1269131503.db2.gz FUYMVOGHLCYYTA-UHFFFAOYSA-N -1 3 352.372 0.254 10 0 FCAEHM CNS(=O)(=O)CC(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001558687623 1269131508 /nfs/dbraw/zinc/13/15/08/1269131508.db2.gz FUYMVOGHLCYYTA-UHFFFAOYSA-N -1 3 352.372 0.254 10 0 FCAEHM C[C@H](CC(=O)NCc1cnccn1)[N-]S(=O)(=O)c1cccnc1Cl ZINC001558799590 1269142297 /nfs/dbraw/zinc/14/22/97/1269142297.db2.gz JZKVZNVRQUJHTH-SNVBAGLBSA-N -1 3 369.834 0.898 10 0 FCAEHM COCCOc1ccc(CNC(=O)CN2CC[C@H](c3nnn[n-]3)C2)cc1 ZINC001560101270 1269186373 /nfs/dbraw/zinc/18/63/73/1269186373.db2.gz HDMCATDTTQIPGV-AWEZNQCLSA-N -1 3 360.418 0.331 10 0 FCAEHM COCCOc1ccc(CNC(=O)CN2CC[C@H](c3nn[n-]n3)C2)cc1 ZINC001560101270 1269186376 /nfs/dbraw/zinc/18/63/76/1269186376.db2.gz HDMCATDTTQIPGV-AWEZNQCLSA-N -1 3 360.418 0.331 10 0 FCAEHM O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001564428096 1269420383 /nfs/dbraw/zinc/42/03/83/1269420383.db2.gz RQTAUFOAEQURPN-RYUDHWBXSA-N -1 3 360.418 0.071 10 0 FCAEHM CCC[C@@H](OC)C(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]2C1 ZINC001566047423 1269578011 /nfs/dbraw/zinc/57/80/11/1269578011.db2.gz CBNMCBIDIIKKMP-HZSPNIEDSA-N -1 3 351.451 0.204 10 0 FCAEHM COC[C@H](CCO)NC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001566396958 1269638093 /nfs/dbraw/zinc/63/80/93/1269638093.db2.gz DOCPRIQBFTVEKO-NSHDSACASA-N -1 3 351.334 0.001 10 0 FCAEHM COC[C@H](CCO)NC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001566396958 1269638103 /nfs/dbraw/zinc/63/81/03/1269638103.db2.gz DOCPRIQBFTVEKO-NSHDSACASA-N -1 3 351.334 0.001 10 0 FCAEHM CO[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1NC(=O)C1(C(F)F)CC1 ZINC001342888241 1269664639 /nfs/dbraw/zinc/66/46/39/1269664639.db2.gz UKMFMGMVJNWRMM-NXEZZACHSA-N -1 3 356.329 0.183 10 0 FCAEHM COc1nc(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)co1 ZINC001567943147 1269713872 /nfs/dbraw/zinc/71/38/72/1269713872.db2.gz RHNHLGJLBUWEPS-UHFFFAOYSA-N -1 3 361.326 0.670 10 0 FCAEHM COC(=O)c1c(C)cccc1S(=O)(=O)NC1CCN(CC(=O)[O-])CC1 ZINC001343004889 1269724528 /nfs/dbraw/zinc/72/45/28/1269724528.db2.gz MVLDDHOZXRBBAB-UHFFFAOYSA-N -1 3 370.427 0.609 10 0 FCAEHM CO[C@@H]1CN(C(=O)CCOC(C)C)C[C@H]1NC(=O)c1c(C)nc[n-]c1=O ZINC001343050231 1269747401 /nfs/dbraw/zinc/74/74/01/1269747401.db2.gz FSGZIQPFHGZYKE-CHWSQXEVSA-N -1 3 366.418 0.261 10 0 FCAEHM CC(C)(C)/C=C/C(=O)N1C[C@@H](NC(=O)c2cccc3n[n-]nc32)[C@@H](O)C1 ZINC001343402463 1269897213 /nfs/dbraw/zinc/89/72/13/1269897213.db2.gz PLPGZOARLHVJHW-NCRJZKAISA-N -1 3 357.414 0.862 10 0 FCAEHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)N(C)C(=O)c1cnc[n-]c1=O ZINC001571877020 1269968663 /nfs/dbraw/zinc/96/86/63/1269968663.db2.gz KOBBTSULJPOFCR-FPMFFAJLSA-N -1 3 355.398 0.958 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1CC[C@@H]2CN(C(=O)COCC3CC3)[C@@H]2C1 ZINC001343793499 1270013364 /nfs/dbraw/zinc/01/33/64/1270013364.db2.gz DEGGAMGNRLFSKH-ZIAGYGMSSA-N -1 3 360.414 0.590 10 0 FCAEHM CCO[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CNC(=O)CC1CCC1 ZINC001344407636 1270172594 /nfs/dbraw/zinc/17/25/94/1270172594.db2.gz TWMBOCXZFAKGNX-UKRRQHHQSA-N -1 3 362.430 0.966 10 0 FCAEHM C[C@H](CC(F)(F)F)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001572829421 1270210922 /nfs/dbraw/zinc/21/09/22/1270210922.db2.gz PEJDQOGRDLLGEB-SZEHBUNVSA-N -1 3 362.308 0.072 10 0 FCAEHM C[C@](O)(CC(=O)NC[C@H]1CC[C@@H](NC(=O)c2cnc[n-]c2=O)C1)C1CC1 ZINC001573168614 1270628425 /nfs/dbraw/zinc/62/84/25/1270628425.db2.gz BPVREKJDELHOID-SRBZOADZSA-N -1 3 362.430 0.748 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2ccccc2[O-])CCN1C(=O)C(=O)NCC(F)F ZINC001573258310 1270712267 /nfs/dbraw/zinc/71/22/67/1270712267.db2.gz PUTJXBNWALDXJQ-NWDGAFQWSA-N -1 3 369.368 0.883 10 0 FCAEHM CCNC(=O)CCCC(=O)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@H]1CC ZINC001573276095 1270733640 /nfs/dbraw/zinc/73/36/40/1270733640.db2.gz UTRUSYNTFUAZES-WCQYABFASA-N -1 3 350.423 0.220 10 0 FCAEHM CC(C)S(=O)(=O)CC(=O)N1CC[C@H](NC(=O)c2ccccc2[O-])[C@H]1C ZINC001573440515 1270777806 /nfs/dbraw/zinc/77/78/06/1270777806.db2.gz UPXLOGOXLBWDJN-OCCSQVGLSA-N -1 3 368.455 0.935 10 0 FCAEHM CC(C)NC(=O)CCCC(=O)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@H]1C ZINC001573534465 1270818703 /nfs/dbraw/zinc/81/87/03/1270818703.db2.gz AEJLOSJPBHJYML-NEPJUHHUSA-N -1 3 350.423 0.219 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@H]1CCN(C(=O)[C@@H]2CCOC2)[C@@H]1C ZINC001573535058 1270820361 /nfs/dbraw/zinc/82/03/61/1270820361.db2.gz OPWXWIQCSBSOML-NFAWXSAZSA-N -1 3 362.430 0.565 10 0 FCAEHM O=C(CCOC[C@@H]1CCCO1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn[n-]n1)C2 ZINC001574514585 1271298597 /nfs/dbraw/zinc/29/85/97/1271298597.db2.gz LRGLSHCNKFXJQS-COMQUAJESA-N -1 3 363.418 0.252 10 0 FCAEHM O=C(NCCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001576025867 1272729202 /nfs/dbraw/zinc/72/92/02/1272729202.db2.gz XPBHBYJDFNDLCY-DFBGVHRSSA-N -1 3 371.393 0.374 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)N(CC)CCNCc1cc(=O)n2[n-]ccc2n1 ZINC001715738169 1287360333 /nfs/dbraw/zinc/36/03/33/1287360333.db2.gz CWKHIFJCAHDBQH-DYVFJYSZSA-N -1 3 361.446 0.776 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)C[C@@H](O)c2cccnc2)ccc1F ZINC001603621874 1287447593 /nfs/dbraw/zinc/44/75/93/1287447593.db2.gz RUGWXNGCDHBGLV-CQSZACIVSA-N -1 3 367.402 0.934 10 0 FCAEHM CCN(CC)S(=O)(=O)CC(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001603628767 1287450726 /nfs/dbraw/zinc/45/07/26/1287450726.db2.gz OMWIKJUZNSFSNH-JOCQHMNTSA-N -1 3 370.475 0.996 10 0 FCAEHM CN(C)S(=O)(=O)c1cc(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)co1 ZINC001583369055 1282085698 /nfs/dbraw/zinc/08/56/98/1282085698.db2.gz LKGRCCCMFXLZBD-UHFFFAOYSA-N -1 3 358.401 0.244 10 0 FCAEHM COCCN1CCN(C(=O)CNC(=O)c2ncccc2[O-])C(C)(C)C1 ZINC001583444497 1282090504 /nfs/dbraw/zinc/09/05/04/1282090504.db2.gz IIIKYMRVLDSEGQ-UHFFFAOYSA-N -1 3 350.419 0.086 10 0 FCAEHM C[C@H](CNC(=O)[C@@H]1C[C@H]1C1CC1)NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001583860341 1282118591 /nfs/dbraw/zinc/11/85/91/1282118591.db2.gz NBSGLGVSAUTGKE-ZDBHGNHJSA-N -1 3 355.394 0.851 10 0 FCAEHM CC(C)[C@@H](C(=O)NCc1cc(=O)[n-]c(=S)[nH]1)N1CCCS1(=O)=O ZINC001631842747 1282122277 /nfs/dbraw/zinc/12/22/77/1282122277.db2.gz WIRASQCCYZHRSK-NSHDSACASA-N -1 3 360.461 0.147 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)NC[C@H](C)NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC001584139752 1282136454 /nfs/dbraw/zinc/13/64/54/1282136454.db2.gz OYCJOTPNPQQVCX-WNMQOVRZSA-N -1 3 364.446 0.778 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)CCCN1C(=O)c2ccccc2C1=O ZINC001632758682 1282205285 /nfs/dbraw/zinc/20/52/85/1282205285.db2.gz QVMUDYWKYXYJGR-LBPRGKRZSA-N -1 3 356.382 0.691 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)CC(C)C ZINC001585162965 1282207112 /nfs/dbraw/zinc/20/71/12/1282207112.db2.gz BQSALJQFFHOODO-ZIAGYGMSSA-N -1 3 362.434 0.111 10 0 FCAEHM O=C(NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cnncc1[O-] ZINC001585942723 1282258204 /nfs/dbraw/zinc/25/82/04/1282258204.db2.gz LTDCSEKMTWOFIE-UHFFFAOYSA-N -1 3 368.337 0.474 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCC2CN(S(C)(=O)=O)C2)c1 ZINC001634727766 1282352272 /nfs/dbraw/zinc/35/22/72/1282352272.db2.gz ROTBVAXTLHPLMQ-UHFFFAOYSA-N -1 3 353.400 0.138 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](COC)[C@@H]2CCCOC2)c(C)o1 ZINC001634982430 1282369864 /nfs/dbraw/zinc/36/98/64/1282369864.db2.gz MDJKJDGHSXVGJZ-DGCLKSJQSA-N -1 3 360.432 0.668 10 0 FCAEHM Cc1n[nH]c(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)c1Br ZINC001588027922 1282397737 /nfs/dbraw/zinc/39/77/37/1282397737.db2.gz NKRDCCLUDQCAKD-UHFFFAOYSA-N -1 3 368.191 0.979 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](CC)CNS(C)(=O)=O)c1 ZINC001635827259 1282435838 /nfs/dbraw/zinc/43/58/38/1282435838.db2.gz JEXLMETUQSACIX-JTQLQIEISA-N -1 3 355.416 0.574 10 0 FCAEHM C[C@@H](NC(=O)c1cnn(C)c1-n1cnnc1)c1nc(C(F)(F)F)n[n-]1 ZINC001636092473 1282459595 /nfs/dbraw/zinc/45/95/95/1282459595.db2.gz PTNPXAHWDGNNFQ-ZCFIWIBFSA-N -1 3 355.284 0.629 10 0 FCAEHM Cc1nn(C)cc1C1=NO[C@H](C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)C1 ZINC001636855835 1282542615 /nfs/dbraw/zinc/54/26/15/1282542615.db2.gz SSTBXLWEEXQGPK-FZMZJTMJSA-N -1 3 371.401 0.112 10 0 FCAEHM Cc1cc2ncc(C(=O)N[C@@H]3CCN(c4cc(=O)[n-]cn4)C3)c(C)n2n1 ZINC001636855890 1282543688 /nfs/dbraw/zinc/54/36/88/1282543688.db2.gz UPOHYLOIDBOSOC-GFCCVEGCSA-N -1 3 353.386 0.850 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCC[C@H](NC(=O)c3cnc4n3CCOC4)C2)n1 ZINC001638190649 1282669224 /nfs/dbraw/zinc/66/92/24/1282669224.db2.gz QVVLARKMUFGINO-LBPRGKRZSA-N -1 3 358.402 0.616 10 0 FCAEHM Cc1nn(CC(=O)N2CCN(c3nc(C)cc(=O)[n-]3)CC2)c2ncccc12 ZINC001638493093 1282701767 /nfs/dbraw/zinc/70/17/67/1282701767.db2.gz LBFGXUCEVXFFQW-UHFFFAOYSA-N -1 3 367.413 0.893 10 0 FCAEHM O=C(NCc1cn(C2CCC2)nn1)c1ccc(-n2[n-]c(=O)[nH]c2=O)cc1 ZINC001639564094 1282795100 /nfs/dbraw/zinc/79/51/00/1282795100.db2.gz JBWHEHMNRPTIKN-UHFFFAOYSA-N -1 3 355.358 0.513 10 0 FCAEHM Cc1c(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)cnn1-c1ccc(=O)[nH]n1 ZINC001639635363 1282799659 /nfs/dbraw/zinc/79/96/59/1282799659.db2.gz NTBAVRBWPFYWLV-JTQLQIEISA-N -1 3 355.358 0.735 10 0 FCAEHM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1C[C@H](N2CCOCC2)C1(C)C ZINC001639629781 1282799683 /nfs/dbraw/zinc/79/96/83/1282799683.db2.gz CGNPEDOCUANXTC-UWVGGRQHSA-N -1 3 352.391 0.126 10 0 FCAEHM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1C[C@@H](N2CCOCC2)C1(C)C ZINC001639629782 1282800528 /nfs/dbraw/zinc/80/05/28/1282800528.db2.gz CGNPEDOCUANXTC-VHSXEESVSA-N -1 3 352.391 0.126 10 0 FCAEHM O=C(NC[C@H](O)C(F)(F)F)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001640049965 1282835947 /nfs/dbraw/zinc/83/59/47/1282835947.db2.gz FRIBUGCDBCTRQS-JTQLQIEISA-N -1 3 361.251 0.527 10 0 FCAEHM O=C(NC[C@H](O)C(F)(F)F)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001640049965 1282835955 /nfs/dbraw/zinc/83/59/55/1282835955.db2.gz FRIBUGCDBCTRQS-JTQLQIEISA-N -1 3 361.251 0.527 10 0 FCAEHM O=C(Cn1c(=O)oc2ccccc21)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001640104477 1282838463 /nfs/dbraw/zinc/83/84/63/1282838463.db2.gz DLONNDZUYMRHBD-LLVKDONJSA-N -1 3 355.354 0.485 10 0 FCAEHM CC(C)(C)n1cc(C(=O)C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)cn1 ZINC001640104529 1282838507 /nfs/dbraw/zinc/83/85/07/1282838507.db2.gz GGKSLCJZMRHMOA-GFCCVEGCSA-N -1 3 358.402 0.712 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccc(N2CCCC2)nn1 ZINC001640104762 1282839233 /nfs/dbraw/zinc/83/92/33/1282839233.db2.gz NFLFAXOEBLYENV-LBPRGKRZSA-N -1 3 355.402 0.581 10 0 FCAEHM COc1cccn2ncc(C(=O)N[C@@H]3CCN(c4cc(=O)[n-]cn4)C3)c12 ZINC001640109954 1282839411 /nfs/dbraw/zinc/83/94/11/1282839411.db2.gz KUWOHDACGLZACV-LLVKDONJSA-N -1 3 354.370 0.847 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CC[C@H]3[C@H]2CCCN3CCO)cn1 ZINC001640132837 1282843194 /nfs/dbraw/zinc/84/31/94/1282843194.db2.gz SIODNSDEXCIVCG-UONOGXRCSA-N -1 3 368.459 0.124 10 0 FCAEHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC(O)(c2cccc3ccccc32)C1 ZINC001640441458 1282864307 /nfs/dbraw/zinc/86/43/07/1282864307.db2.gz CALTYKYQEOUQIX-UHFFFAOYSA-N -1 3 352.350 0.967 10 0 FCAEHM CCCCS(=O)(=O)CC(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC001641927721 1282981636 /nfs/dbraw/zinc/98/16/36/1282981636.db2.gz ORXGIHUXBMWMDV-UHFFFAOYSA-N -1 3 355.416 0.736 10 0 FCAEHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCCCc1c[nH][nH]c1=O ZINC001642445393 1283010937 /nfs/dbraw/zinc/01/09/37/1283010937.db2.gz KUZKNQLEDFXQCY-ZDUSSCGKSA-N -1 3 368.397 0.723 10 0 FCAEHM COC(=O)N1CCC(NC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)CC1 ZINC001680575528 1283434231 /nfs/dbraw/zinc/43/42/31/1283434231.db2.gz WEBPDZPKPKRNHO-GFCCVEGCSA-N -1 3 364.406 0.291 10 0 FCAEHM CO[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1c1ccccc1 ZINC001683132884 1283865992 /nfs/dbraw/zinc/86/59/92/1283865992.db2.gz RZLDBRWTGGFKEU-UHOFOFEASA-N -1 3 370.409 0.942 10 0 FCAEHM CCCC[C@@H](CC)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@@H]1O ZINC001683364316 1283955495 /nfs/dbraw/zinc/95/54/95/1283955495.db2.gz CEAHYEYKIYZQGF-BNOWGMLFSA-N -1 3 350.419 0.700 10 0 FCAEHM CCC(CC)[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@@H]1O ZINC001683554981 1284030106 /nfs/dbraw/zinc/03/01/06/1284030106.db2.gz MSIZYKYVRLVVDQ-HONMWMINSA-N -1 3 350.419 0.556 10 0 FCAEHM CCN(C[C@@H](O)C(F)(F)F)C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001683594150 1284053295 /nfs/dbraw/zinc/05/32/95/1284053295.db2.gz IDTASSSOSPFXFS-SNVBAGLBSA-N -1 3 364.324 0.710 10 0 FCAEHM CC/C(C)=C\C(=O)N1C[C@@H](NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)[C@@H](O)C1 ZINC001683600096 1284055727 /nfs/dbraw/zinc/05/57/27/1284055727.db2.gz JJZLZBVBMBDLRU-FVGUCBIESA-N -1 3 371.393 0.228 10 0 FCAEHM O=C(NCC[C@@H]1CCCS1(=O)=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001683742816 1284102689 /nfs/dbraw/zinc/10/26/89/1284102689.db2.gz YZQDNHVGBWSQKD-NEPJUHHUSA-N -1 3 369.447 0.027 10 0 FCAEHM COCC1(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3cn[n-]n3)C2)CCOCC1 ZINC001684454743 1284178397 /nfs/dbraw/zinc/17/83/97/1284178397.db2.gz DVPNXTVPPDWKOY-QWHCGFSZSA-N -1 3 365.434 0.263 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC001684560420 1284201035 /nfs/dbraw/zinc/20/10/35/1284201035.db2.gz FMGQJVMPGFZRQN-JHJVBQTASA-N -1 3 360.418 0.071 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC001684560419 1284201798 /nfs/dbraw/zinc/20/17/98/1284201798.db2.gz FMGQJVMPGFZRQN-FRRDWIJNSA-N -1 3 360.418 0.071 10 0 FCAEHM CC(C)OCCCC(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1O ZINC001719110438 1287761002 /nfs/dbraw/zinc/76/10/02/1287761002.db2.gz YLJJWVBSQSJVKA-GDBMZVCRSA-N -1 3 350.415 0.899 10 0 FCAEHM CC[C@@H](C)CC(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@]23C[C@H]2COC3)n1 ZINC001702604693 1285751308 /nfs/dbraw/zinc/75/13/08/1285751308.db2.gz VVPJOAUJXFBQNF-SOZUMNATSA-N -1 3 362.430 0.887 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2ccccc2[O-])CCN1C(=O)CCS(C)(=O)=O ZINC001702613919 1285752077 /nfs/dbraw/zinc/75/20/77/1285752077.db2.gz MPCPVTSIXFLWFT-UONOGXRCSA-N -1 3 368.455 0.936 10 0 FCAEHM CCC(=O)NCC(=O)N1CC[C@H](NC(=O)c2cccc3n[n-]nc32)[C@H]1C ZINC001702699453 1285795278 /nfs/dbraw/zinc/79/52/78/1285795278.db2.gz NEQLOESHRBZFKO-PWSUYJOCSA-N -1 3 358.402 0.203 10 0 FCAEHM COCCC(=O)NC[C@@H]1CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C[C@H]1C ZINC001702780295 1285857700 /nfs/dbraw/zinc/85/77/00/1285857700.db2.gz GNPKDSNNBXTOQY-DGCLKSJQSA-N -1 3 362.430 0.920 10 0 FCAEHM COCC(=O)N1C[C@@H](C)[C@H](CCNC(=O)Cc2c(C)nc(C)[n-]c2=O)C1 ZINC001702837781 1285930190 /nfs/dbraw/zinc/93/01/90/1285930190.db2.gz PDEFHASUNHMSQR-BXUZGUMPSA-N -1 3 364.446 0.589 10 0 FCAEHM C=C/C(C)=C/CC(=O)N1C[C@@H](NC(=O)c2cccc3n[n-]nc32)[C@@H](O)C1 ZINC001735927946 1289043166 /nfs/dbraw/zinc/04/31/66/1289043166.db2.gz YSDYLUCCHCCDQX-CYSMCQCQSA-N -1 3 355.398 0.782 10 0 FCAEHM Cc1cnn(CCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cnc[n-]c2=O)c1 ZINC001702987967 1286037550 /nfs/dbraw/zinc/03/75/50/1286037550.db2.gz FXLFPPAGPABFGK-YUELXQCFSA-N -1 3 370.413 0.639 10 0 FCAEHM CS(=O)(=O)Cc1nc(C(=O)NCCNC(=O)c2ccc([O-])cc2)co1 ZINC001595751555 1286263216 /nfs/dbraw/zinc/26/32/16/1286263216.db2.gz KIPRBMQSNFKQRC-UHFFFAOYSA-N -1 3 367.383 0.085 10 0 FCAEHM C[C@H](CNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])c1ncon1 ZINC001597318037 1286338963 /nfs/dbraw/zinc/33/89/63/1286338963.db2.gz GXWMDIIRTAUOMA-SECBINFHSA-N -1 3 359.317 0.790 10 0 FCAEHM C[C@H](CNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O)c1ncon1 ZINC001597318037 1286338972 /nfs/dbraw/zinc/33/89/72/1286338972.db2.gz GXWMDIIRTAUOMA-SECBINFHSA-N -1 3 359.317 0.790 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC/C=C\CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001705062773 1286345086 /nfs/dbraw/zinc/34/50/86/1286345086.db2.gz QTCLMVYGVUGAEA-JDEDCZITSA-N -1 3 356.386 0.420 10 0 FCAEHM C[C@@H]1CCCN(C(=O)C2=COCCO2)[C@@H]1CCCNCc1n[nH]c(=O)[n-]1 ZINC001707169758 1286488487 /nfs/dbraw/zinc/48/84/87/1286488487.db2.gz PKEXFHMUGDQGGO-CHWSQXEVSA-N -1 3 365.434 0.895 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@H]1CCN(CC(=O)N(C)CC2CC2)[C@@H]1C ZINC001707260587 1287115393 /nfs/dbraw/zinc/11/53/93/1287115393.db2.gz OQZVPVMMEMAOBM-OCCSQVGLSA-N -1 3 361.446 0.552 10 0 FCAEHM C[C@H](C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cnc[n-]c2=O)C1)n1cccn1 ZINC001736086224 1289134446 /nfs/dbraw/zinc/13/44/46/1289134446.db2.gz UVMVUDWKWRTMKY-FRRDWIJNSA-N -1 3 358.402 0.655 10 0 FCAEHM CO[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1NC(=O)[C@H](C)C(C)C ZINC001719249190 1287946901 /nfs/dbraw/zinc/94/69/01/1287946901.db2.gz HGRIQBLUBAEQIM-RAIGVLPGSA-N -1 3 350.419 0.738 10 0 FCAEHM C[C@H](CC(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1)CC(C)(C)C ZINC001719284083 1288024766 /nfs/dbraw/zinc/02/47/66/1288024766.db2.gz DLZXGCIOSYTIOG-BNOWGMLFSA-N -1 3 364.446 0.946 10 0 FCAEHM CCCC[C@@](C)(F)C(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@@H]1O ZINC001719285700 1288030296 /nfs/dbraw/zinc/03/02/96/1288030296.db2.gz MMQMGIGCXVOGPP-BWACUDIHSA-N -1 3 368.409 0.711 10 0 FCAEHM O=C(C/C=C\Cc1ccccc1)N1C[C@@H](NC(=O)c2cn[n-]n2)[C@@H](O)C1 ZINC001719287125 1288034610 /nfs/dbraw/zinc/03/46/10/1288034610.db2.gz KTGXLCLPTROASP-MSNYOWOLSA-N -1 3 355.398 0.295 10 0 FCAEHM CCC(C)(C)CC(=O)N1C[C@@H](NC(=O)c2c(C)nc[n-]c2=O)[C@@H](O)C1 ZINC001719301174 1288066539 /nfs/dbraw/zinc/06/65/39/1288066539.db2.gz IPYVQPBEMWVSMN-NEPJUHHUSA-N -1 3 350.419 0.618 10 0 FCAEHM CC=C(C)C(=O)NCc1nc(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc(=O)[n-]1 ZINC001719522332 1288166399 /nfs/dbraw/zinc/16/63/99/1288166399.db2.gz IADRREBYKCFKSA-CARBTIAZSA-N -1 3 360.414 0.948 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)NC[C@@H](NC(=O)c1cnc[n-]c1=O)C(C)C ZINC001721675833 1288366514 /nfs/dbraw/zinc/36/65/14/1288366514.db2.gz WRWUFKCXFSJRIG-BNOWGMLFSA-N -1 3 350.419 0.868 10 0 FCAEHM Cn1nccc1[C@@H]1C[C@H]1C(=O)NCC1(NC(=O)c2cn[n-]n2)CCCCC1 ZINC001726060776 1288493190 /nfs/dbraw/zinc/49/31/90/1288493190.db2.gz XHFJVMDXAOVLCV-CHWSQXEVSA-N -1 3 371.445 0.891 10 0 FCAEHM CC(C)C[C@H](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001735757842 1288865627 /nfs/dbraw/zinc/86/56/27/1288865627.db2.gz ULBAUGNWWXLMFV-IACUBPJLSA-N -1 3 350.419 0.556 10 0 FCAEHM CCC[C@@H](OCC)C(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@H](OC)C1 ZINC001735883912 1288988072 /nfs/dbraw/zinc/98/80/72/1288988072.db2.gz RIRLEDFQBWPAFH-MGPQQGTHSA-N -1 3 366.418 0.343 10 0 FCAEHM O=C(Cc1ccon1)NCc1nc(CNC(=O)[C@]23C[C@H]2CCC3)cc(=O)[n-]1 ZINC001736171880 1289187548 /nfs/dbraw/zinc/18/75/48/1289187548.db2.gz KHYSANYEQCOKBQ-ADLMAVQZSA-N -1 3 371.397 0.836 10 0 FCAEHM CC[C@H](F)C(=O)NCc1nc(CNC(=O)[C@H]2OCC[C@H]2CC)cc(=O)[n-]1 ZINC001736172126 1289187875 /nfs/dbraw/zinc/18/78/75/1289187875.db2.gz LSRKNDLWRUVYJO-GMXABZIVSA-N -1 3 368.409 0.978 10 0 FCAEHM CCC[C@@H](OC)C(=O)N1CC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@@H]2C1 ZINC001736227658 1289209533 /nfs/dbraw/zinc/20/95/33/1289209533.db2.gz XYSVSRLOILYFTF-VNHYZAJKSA-N -1 3 362.430 0.918 10 0 FCAEHM COCC1(C(=O)N2C[C@@H]3CN(C(=O)c4cnc[n-]c4=O)C[C@]3(C)C2)CC1 ZINC001736338079 1289264428 /nfs/dbraw/zinc/26/44/28/1289264428.db2.gz GXPLGRXZRISAOZ-YVEFUNNKSA-N -1 3 360.414 0.529 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1CC1 ZINC001737411306 1289547112 /nfs/dbraw/zinc/54/71/12/1289547112.db2.gz XBUAHYFMCLLMLU-MQYQWHSLSA-N -1 3 360.414 0.683 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)C[C@H](n2cccn2)C(F)(F)F)[n-]1 ZINC001611154033 1289632882 /nfs/dbraw/zinc/63/28/82/1289632882.db2.gz AVJOBSZWLKABDO-QMMMGPOBSA-N -1 3 360.296 0.988 10 0 FCAEHM CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC001611693298 1289666975 /nfs/dbraw/zinc/66/69/75/1289666975.db2.gz QFHWGUWPCMNPSC-IAQYHMDHSA-N -1 3 359.382 0.707 10 0 FCAEHM CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)NCCc1c(C)[n-][nH]c1=O ZINC001615925737 1289766370 /nfs/dbraw/zinc/76/63/70/1289766370.db2.gz NQRFLOULBZUYFJ-DCKDXSSCSA-N -1 3 352.460 0.872 10 0 FCAEHM CCC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1)C(C)C ZINC001702185262 1289806249 /nfs/dbraw/zinc/80/62/49/1289806249.db2.gz CRNVBBRADANNNB-IACUBPJLSA-N -1 3 350.419 0.556 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)CC2(C)CCCC2)C1 ZINC001739416212 1289942507 /nfs/dbraw/zinc/94/25/07/1289942507.db2.gz MORLALFMBNXRQR-CHWSQXEVSA-N -1 3 362.430 0.763 10 0 FCAEHM O=C(NCc1nnnn1C1CC1)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001620842180 1290021890 /nfs/dbraw/zinc/02/18/90/1290021890.db2.gz OCDJPYONODWTMM-UHFFFAOYSA-N -1 3 371.332 0.125 10 0 FCAEHM O=C(NCc1nnnn1C1CC1)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001620842180 1290021900 /nfs/dbraw/zinc/02/19/00/1290021900.db2.gz OCDJPYONODWTMM-UHFFFAOYSA-N -1 3 371.332 0.125 10 0 FCAEHM CCOCC(=O)N[C@@H]1CN(C(=O)CCc2c(C)nc[n-]c2=O)C[C@H]1C ZINC001739489634 1290069252 /nfs/dbraw/zinc/06/92/52/1290069252.db2.gz WINVDHPMOGYAJS-BXUZGUMPSA-N -1 3 350.419 0.423 10 0 FCAEHM COCCC[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001739521653 1290109820 /nfs/dbraw/zinc/10/98/20/1290109820.db2.gz OWUZLQPMMCVENH-YRGRVCCFSA-N -1 3 350.419 0.822 10 0 FCAEHM CNC(=O)CCCCC(=O)N1C[C@@H](C)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001739521311 1290110229 /nfs/dbraw/zinc/11/02/29/1290110229.db2.gz KYCJDJDIMZVBIH-DGCLKSJQSA-N -1 3 363.418 0.065 10 0 FCAEHM CC/C=C(\C)C(=O)N1C[C@@H](NC(=O)Cc2c(C)nc(C)[n-]c2=O)[C@@H](O)C1 ZINC001702355090 1290117838 /nfs/dbraw/zinc/11/78/38/1290117838.db2.gz HUEUZOOQBIEBDA-PHGPQXGHSA-N -1 3 362.430 0.386 10 0 FCAEHM CO[C@@H]1CN(C(=O)CC2(OC)CCC2)C[C@H]1NC(=O)c1cnc[n-]c1=O ZINC001739579030 1290187340 /nfs/dbraw/zinc/18/73/40/1290187340.db2.gz NLEVAUQBLXRBMR-CHWSQXEVSA-N -1 3 364.402 0.097 10 0 FCAEHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1C[C@]2(CCOC2)Oc2ccccc21 ZINC001623771095 1290237749 /nfs/dbraw/zinc/23/77/49/1290237749.db2.gz RRYFWLPEAZVGDQ-QGHHPUGFSA-N -1 3 358.354 0.883 10 0 FCAEHM CCc1nn(C)c(OC)c1CNC(=O)c1ccc(-n2[n-]c(=O)[nH]c2=O)cc1 ZINC001624076887 1290250443 /nfs/dbraw/zinc/25/04/43/1290250443.db2.gz XKVGFYDOOIHFKX-UHFFFAOYSA-N -1 3 372.385 0.501 10 0 FCAEHM CCOC(=O)c1cc(NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2cccnc2)[n-]n1 ZINC001624442231 1290272690 /nfs/dbraw/zinc/27/26/90/1290272690.db2.gz HJYYGOHFASZIPG-CABCVRRESA-N -1 3 373.369 0.518 10 0 FCAEHM CCOC(=O)c1cc(NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2cccnc2)n[n-]1 ZINC001624442231 1290272694 /nfs/dbraw/zinc/27/26/94/1290272694.db2.gz HJYYGOHFASZIPG-CABCVRRESA-N -1 3 373.369 0.518 10 0 FCAEHM CC(C)(CC(=O)N1C[C@@H](NC(=O)c2cn[n-]n2)[C@@H](O)C1)CC(F)(F)F ZINC001739650059 1290297286 /nfs/dbraw/zinc/29/72/86/1290297286.db2.gz HQKZWCWZESNHGL-ZJUUUORDSA-N -1 3 363.340 0.475 10 0 FCAEHM Cn1cc(N2C[C@@H](C(=O)N3CCc4c(=O)[n-]cnc4C3)CCC2=O)cn1 ZINC001625147451 1290322856 /nfs/dbraw/zinc/32/28/56/1290322856.db2.gz DLSQUVSFPIJTHS-NSHDSACASA-N -1 3 356.386 0.244 10 0 FCAEHM CCN1CCCN(C(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])CC1=O ZINC001625294346 1290333547 /nfs/dbraw/zinc/33/35/47/1290333547.db2.gz KKXUDTXKNWSUII-UHFFFAOYSA-N -1 3 374.372 0.568 10 0 FCAEHM CCN1CCCN(C(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)CC1=O ZINC001625294346 1290333554 /nfs/dbraw/zinc/33/35/54/1290333554.db2.gz KKXUDTXKNWSUII-UHFFFAOYSA-N -1 3 374.372 0.568 10 0 FCAEHM CN1C(=O)COc2cc(NC(=O)c3ccc(-c4nnn[n-]4)cn3)ccc21 ZINC001626194223 1290380030 /nfs/dbraw/zinc/38/00/30/1290380030.db2.gz NABIXWGZAYAXSZ-UHFFFAOYSA-N -1 3 351.326 0.869 10 0 FCAEHM CN1C(=O)COc2cc(NC(=O)c3ccc(-c4nn[n-]n4)cn3)ccc21 ZINC001626194223 1290380039 /nfs/dbraw/zinc/38/00/39/1290380039.db2.gz NABIXWGZAYAXSZ-UHFFFAOYSA-N -1 3 351.326 0.869 10 0 FCAEHM COCC1(C(=O)N2C[C@H]3CCN(C(=O)c4cnc[n-]c4=O)C[C@H]32)CCC1 ZINC001739718085 1290387686 /nfs/dbraw/zinc/38/76/86/1290387686.db2.gz PRIIXCITPNGVNT-TZMCWYRMSA-N -1 3 360.414 0.672 10 0 FCAEHM CC(C)(O)CN1CCN(C(=O)c2nc[n-]c(=O)c2Br)CC1 ZINC001626344949 1290391865 /nfs/dbraw/zinc/39/18/65/1290391865.db2.gz CLBSVCOLUUUEAJ-UHFFFAOYSA-N -1 3 359.224 0.473 10 0 FCAEHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)/C=C\CN1CCOCC1 ZINC001627090598 1290436893 /nfs/dbraw/zinc/43/68/93/1290436893.db2.gz KRLJHCGARJBISG-BVUKWYMNSA-N -1 3 362.430 0.755 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CCO1 ZINC001627153370 1290442099 /nfs/dbraw/zinc/44/20/99/1290442099.db2.gz ROXBWQSVLLDVRR-PXAZEXFGSA-N -1 3 368.434 0.641 10 0 FCAEHM C[C@H](C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@]23C[C@H]2COC3)n1)C1CC1 ZINC001739982849 1290458993 /nfs/dbraw/zinc/45/89/93/1290458993.db2.gz MHQQNXXJZRQXDF-RSNWOKGLSA-N -1 3 360.414 0.497 10 0 FCAEHM CO[C@H](C)C(=O)NC[C@@H]1CN(C(=O)CCc2c(C)nc[n-]c2=O)C[C@H]1C ZINC001740160888 1290501290 /nfs/dbraw/zinc/50/12/90/1290501290.db2.gz SZRBGVRWCNGUPG-MRVWCRGKSA-N -1 3 364.446 0.669 10 0 FCAEHM CC1(C)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1N1CCOCC1 ZINC001628239994 1290519516 /nfs/dbraw/zinc/51/95/16/1290519516.db2.gz QMCUIDVBEUJDCX-KGLIPLIRSA-N -1 3 357.418 0.491 10 0 FCAEHM CC1(C)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1N1CCOCC1 ZINC001628239994 1290519523 /nfs/dbraw/zinc/51/95/23/1290519523.db2.gz QMCUIDVBEUJDCX-KGLIPLIRSA-N -1 3 357.418 0.491 10 0 FCAEHM C[C@H](C(=O)NCc1cc(=O)[n-]c(=S)[nH]1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC001628254581 1290520607 /nfs/dbraw/zinc/52/06/07/1290520607.db2.gz ADEFDKUZQWPWGG-MIMYLULJSA-N -1 3 364.427 0.651 10 0 FCAEHM O=C(NC1CCN(C(=O)c2cn[nH]c2)CC1)c1cc2c(cc1[O-])OCO2 ZINC001628961040 1290565035 /nfs/dbraw/zinc/56/50/35/1290565035.db2.gz QPSVSFUCCZAQKB-UHFFFAOYSA-N -1 3 358.354 0.879 10 0 FCAEHM O=C(Cc1ccc([O-])c(F)c1)NCCNS(=O)(=O)Cc1ccon1 ZINC001629287220 1290587256 /nfs/dbraw/zinc/58/72/56/1290587256.db2.gz OJTRXXWFJKOXEQ-UHFFFAOYSA-N -1 3 357.363 0.298 10 0 FCAEHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@@H](O)[C@@](O)(c1ccccc1)C(F)(F)F ZINC001629376793 1290596904 /nfs/dbraw/zinc/59/69/04/1290596904.db2.gz JTBAYPYUIAGQDS-YGRLFVJLSA-N -1 3 373.287 0.946 10 0 FCAEHM CC(C)(CCN1CCOCC1)NC(=O)CNC(=O)c1ncccc1[O-] ZINC001630030862 1290644296 /nfs/dbraw/zinc/64/42/96/1290644296.db2.gz ZCEDSCLOLGFMKK-UHFFFAOYSA-N -1 3 350.419 0.134 10 0 FCAEHM COC(=O)CCCCNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001631543977 1290736793 /nfs/dbraw/zinc/73/67/93/1290736793.db2.gz UKDFPBNSOHZLJE-UHFFFAOYSA-N -1 3 363.345 0.947 10 0 FCAEHM COC(=O)CCCCNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001631543977 1290736800 /nfs/dbraw/zinc/73/68/00/1290736800.db2.gz UKDFPBNSOHZLJE-UHFFFAOYSA-N -1 3 363.345 0.947 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(c3nc(N)nc(C(F)(F)F)n3)CC2)n1 ZINC001643194561 1290858911 /nfs/dbraw/zinc/85/89/11/1290858911.db2.gz ZRPXFKXLBGUYGV-UHFFFAOYSA-N -1 3 356.312 0.603 10 0 FCAEHM CC1CCC(NS(=O)(=O)CC(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)CC1 ZINC001644261373 1290950364 /nfs/dbraw/zinc/95/03/64/1290950364.db2.gz SLKDXSUNPYHDIM-OTTFEQOBSA-N -1 3 370.475 0.929 10 0 FCAEHM O=C(CNC(=O)c1ccc2c(c1)OCO2)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001644261623 1290950396 /nfs/dbraw/zinc/95/03/96/1290950396.db2.gz YRAOLFHNWGQQIR-NSHDSACASA-N -1 3 358.354 0.590 10 0 FCAEHM Cc1cc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)ccc1S(N)(=O)=O ZINC001644261464 1290950577 /nfs/dbraw/zinc/95/05/77/1290950577.db2.gz UWKADHHGHULLIT-LLVKDONJSA-N -1 3 350.400 0.701 10 0 FCAEHM CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)NCCCc2c[n-][nH]c2=O)C1 ZINC001647858142 1291078851 /nfs/dbraw/zinc/07/88/51/1291078851.db2.gz FNEDZUJAMLAPQC-MEDUHNTESA-N -1 3 356.398 0.964 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N(OC)[C@@H](C)CC(=O)OC)ccc1F ZINC001648207731 1291111403 /nfs/dbraw/zinc/11/14/03/1291111403.db2.gz UIQONBVEGXILOZ-VIFPVBQESA-N -1 3 362.379 0.689 10 0 FCAEHM O=C(NN1CC(=O)[N-]C1=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC001648445385 1291121037 /nfs/dbraw/zinc/12/10/37/1291121037.db2.gz PWPRGUIZXUDABU-UHFFFAOYSA-N -1 3 351.262 0.177 10 0 FCAEHM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1cc(C(F)(F)F)ncn1 ZINC001650749605 1291178069 /nfs/dbraw/zinc/17/80/69/1291178069.db2.gz ZKOVOOSXQBXUIF-UHFFFAOYSA-N -1 3 355.276 0.994 10 0 FCAEHM CCOC(=O)NCCCC(=O)N[C@H]1CCN(c2nc(C)cc(=O)[n-]2)C1 ZINC001651887397 1291248998 /nfs/dbraw/zinc/24/89/98/1291248998.db2.gz WRLXZRRHZOIJAW-LBPRGKRZSA-N -1 3 351.407 0.712 10 0 FCAEHM CC(=O)Nc1cnccc1C(=O)N1CCN(c2nc(C)cc(=O)[n-]2)CC1 ZINC001652070737 1291257972 /nfs/dbraw/zinc/25/79/72/1291257972.db2.gz GZWVRNVTHHZUNF-UHFFFAOYSA-N -1 3 356.386 0.806 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)c3ccnc4[nH]c(=O)[nH]c43)CC2)n1 ZINC001652070805 1291257980 /nfs/dbraw/zinc/25/79/80/1291257980.db2.gz IJSRQZGQMZZWSF-UHFFFAOYSA-N -1 3 355.358 0.430 10 0 FCAEHM O=C(CCS(=O)(=O)C1CCCC1)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001653312865 1291335398 /nfs/dbraw/zinc/33/53/98/1291335398.db2.gz NVYVQNYTUDBRTN-LBPRGKRZSA-N -1 3 368.459 0.625 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCCCn2ccc(=O)[nH]c2=O)c1 ZINC001653416653 1291342176 /nfs/dbraw/zinc/34/21/76/1291342176.db2.gz CGGOZQBDJXGCMO-UHFFFAOYSA-N -1 3 358.354 0.599 10 0 FCAEHM CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)c2cc(NC(C)=O)ccc2[O-])C1 ZINC001653464059 1291346334 /nfs/dbraw/zinc/34/63/34/1291346334.db2.gz ROLHXTUUGJSRSO-BXUZGUMPSA-N -1 3 365.386 0.530 10 0 FCAEHM O=C(CNC(=O)c1ccc([O-])cc1)Nc1ccc(O[C@H]2CC(=O)N2)cc1 ZINC001654569018 1291418983 /nfs/dbraw/zinc/41/89/83/1291418983.db2.gz ZLVLKFXRIGMNRR-KRWDZBQOSA-N -1 3 355.350 0.986 10 0 FCAEHM O=c1cc(CN2CCOC3(CCS(=O)(=O)CC3)C2)nc(C2CC2)[n-]1 ZINC001655108850 1291456065 /nfs/dbraw/zinc/45/60/65/1291456065.db2.gz FVWBNYQRKPNUNX-UHFFFAOYSA-N -1 3 353.444 0.839 10 0 FCAEHM CC(C)C[C@H](CNCc1nc(=O)n(C)[n-]1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001667108901 1291928387 /nfs/dbraw/zinc/92/83/87/1291928387.db2.gz SZHWOVOLDRCDFE-SYQHCUMBSA-N -1 3 351.451 0.296 10 0 FCAEHM Cn1[n-]c(CN[C@]2(CO)CCCN(C(=O)[C@@H]3C[C@H]3C(C)(C)C)C2)nc1=O ZINC001673683798 1292120385 /nfs/dbraw/zinc/12/03/85/1292120385.db2.gz ZCGHKHQGZDCKHT-SNUQEOBHSA-N -1 3 365.478 0.234 10 0 FCAEHM O=C(NC[C@@H](O)c1cccc(F)c1)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001676589567 1292210826 /nfs/dbraw/zinc/21/08/26/1292210826.db2.gz ZZZUYQQKYSCTRG-ZIAGYGMSSA-N -1 3 361.377 0.933 10 0 FCAEHM O=C(NC[C@@H]1CCCCS1(=O)=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001679411851 1292303134 /nfs/dbraw/zinc/30/31/34/1292303134.db2.gz BWYSDACZDSWBCC-RYUDHWBXSA-N -1 3 369.447 0.027 10 0 FCAEHM O=C(NC[C@H]1CCCCS1(=O)=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001679411850 1292303444 /nfs/dbraw/zinc/30/34/44/1292303444.db2.gz BWYSDACZDSWBCC-NWDGAFQWSA-N -1 3 369.447 0.027 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)CN(C)C(C)C)CCN1C(=O)c1n[nH]c(C)c1[O-] ZINC001684939633 1292373207 /nfs/dbraw/zinc/37/32/07/1292373207.db2.gz TWXIOTJXORSRLU-QWHCGFSZSA-N -1 3 351.451 0.873 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2cnc[n-]c2=O)CCN1C(=O)[C@@H](C)OCCOC ZINC001684944477 1292376246 /nfs/dbraw/zinc/37/62/46/1292376246.db2.gz SESDKFANLHWWFM-KWCYVHTRSA-N -1 3 366.418 0.343 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)C(C)(C)S(C)(=O)=O)CCN1C(=O)c1ccccc1[O-] ZINC001685399472 1292527595 /nfs/dbraw/zinc/52/75/95/1292527595.db2.gz LJJLTFXFCXYPFK-YPMHNXCESA-N -1 3 368.455 0.935 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CCSC[C@H]1CCO ZINC001685649493 1292583156 /nfs/dbraw/zinc/58/31/56/1292583156.db2.gz LFDPOUYSGDCWCF-NWDGAFQWSA-N -1 3 353.448 0.270 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC001685921914 1292697705 /nfs/dbraw/zinc/69/77/05/1292697705.db2.gz WRSOZOXMOAGXIV-XNJGSVPQSA-N -1 3 363.418 0.398 10 0 FCAEHM O=C(CCOCC1CC1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O ZINC001686005337 1292725912 /nfs/dbraw/zinc/72/59/12/1292725912.db2.gz JDJBMCRWCLDZSO-SNPRPXQTSA-N -1 3 360.414 0.861 10 0 FCAEHM C[C@H](NC(=O)C(C)(C)C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn[n-]n1)C2 ZINC001686203967 1292822706 /nfs/dbraw/zinc/82/27/06/1292822706.db2.gz PHTRBTZLXJWWEV-WGBDABJCSA-N -1 3 362.434 0.217 10 0 FCAEHM CC(C)N(C)C(=O)C1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cn[n-]n2)C3)CC1 ZINC001686204117 1292824813 /nfs/dbraw/zinc/82/48/13/1292824813.db2.gz VDDVTFDHQDJNPI-BZPMIXESSA-N -1 3 374.445 0.313 10 0 FCAEHM O=C(NCc1noc2c1COCC2)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001687698973 1293002210 /nfs/dbraw/zinc/00/22/10/1293002210.db2.gz YHZPMNMIPLFOST-SNVBAGLBSA-N -1 3 360.374 0.321 10 0 FCAEHM C[C@@H]1OCCO[C@@H]1C(=O)N(CCCNC(=O)c1cnc[n-]c1=O)C1CC1 ZINC001687834427 1293018342 /nfs/dbraw/zinc/01/83/42/1293018342.db2.gz GEWWRXBYERECHN-FZMZJTMJSA-N -1 3 364.402 0.097 10 0 FCAEHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCC(=O)N(C)C1 ZINC000751117876 836467634 /nfs/dbraw/zinc/46/76/34/836467634.db2.gz MAGKHQAKEWPYAW-QMMMGPOBSA-N -1 3 361.807 0.421 10 0 FCAEHM CN1C[C@H]2CC[C@@H](C1)N2C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000823754182 836517982 /nfs/dbraw/zinc/51/79/82/836517982.db2.gz WICZPFXALYKKNW-AOOOYVTPSA-N -1 3 363.892 0.985 10 0 FCAEHM CCOC(=O)CN(C)S(=O)(=O)[N-]C(=O)c1cccc(CN(C)C)c1 ZINC001119505523 847865947 /nfs/dbraw/zinc/86/59/47/847865947.db2.gz DUJXJSOZQVBJIU-UHFFFAOYSA-N -1 3 357.432 0.218 10 0 FCAEHM CCS(=O)(=O)[N-][C@@H](CCSC)c1nc(CCS(C)(=O)=O)no1 ZINC001119555203 847884585 /nfs/dbraw/zinc/88/45/85/847884585.db2.gz SDEVUVKIQCSIOS-VIFPVBQESA-N -1 3 371.506 0.390 10 0 FCAEHM CCS(=O)(=O)[N-][C@H](CCSC)c1nc(CCS(C)(=O)=O)no1 ZINC001119555201 847884846 /nfs/dbraw/zinc/88/48/46/847884846.db2.gz SDEVUVKIQCSIOS-SECBINFHSA-N -1 3 371.506 0.390 10 0 FCAEHM Clc1nnc(-c2nnc(N3C[C@@H]4COC[C@@H]4C3)n2C[C@H]2CCOC2)[n-]1 ZINC001123122899 848570809 /nfs/dbraw/zinc/57/08/09/848570809.db2.gz NCWAJWAHZLARDS-MXWKQRLJSA-N -1 3 365.825 0.836 10 0 FCAEHM Clc1nc(-c2nnc(N3C[C@@H]4COC[C@@H]4C3)n2C[C@H]2CCOC2)n[n-]1 ZINC001123122899 848570815 /nfs/dbraw/zinc/57/08/15/848570815.db2.gz NCWAJWAHZLARDS-MXWKQRLJSA-N -1 3 365.825 0.836 10 0 FCAEHM Cn1cc(Cl)c([N-]C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)n1 ZINC001132831430 849144284 /nfs/dbraw/zinc/14/42/84/849144284.db2.gz GIHQGDZJIBODMG-UHFFFAOYSA-N -1 3 374.806 0.940 10 0 FCAEHM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCC(CCCN2CCOCC2)CC1 ZINC001137781972 849284301 /nfs/dbraw/zinc/28/43/01/849284301.db2.gz YKNHLWVJQMZHPU-UHFFFAOYSA-N -1 3 353.423 0.040 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1ccc(CO)nc1 ZINC001138741456 849317807 /nfs/dbraw/zinc/31/78/07/849317807.db2.gz LDOCZBMCLYIWTO-UHFFFAOYSA-N -1 3 371.365 0.560 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CCC(C)(C)C)C(N)=O)c(C)o1 ZINC001139306521 849336374 /nfs/dbraw/zinc/33/63/74/849336374.db2.gz QIZYZNGNOQYUDH-LLVKDONJSA-N -1 3 359.448 0.906 10 0 FCAEHM CCS(=O)(=O)N(C)CC(=O)N[C@@H](C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001140274136 849360221 /nfs/dbraw/zinc/36/02/21/849360221.db2.gz ZNGMYJPTUJPAFY-QWRGUYRKSA-N -1 3 372.447 0.148 10 0 FCAEHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001141398932 849393924 /nfs/dbraw/zinc/39/39/24/849393924.db2.gz NRWMBRCFEMLJCP-MFKMUULPSA-N -1 3 355.416 0.810 10 0 FCAEHM CN1CCN(Cc2ccc(C(=O)NCCCc3cc(=O)[nH][n-]3)s2)CC1 ZINC001141691270 849405872 /nfs/dbraw/zinc/40/58/72/849405872.db2.gz LXXOTVDHSPBUSY-UHFFFAOYSA-N -1 3 363.487 0.881 10 0 FCAEHM O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCCc1c[n-][nH]c1=O ZINC001149263692 849634049 /nfs/dbraw/zinc/63/40/49/849634049.db2.gz WNUGVWGTFKROLX-MNXVOIDGSA-N -1 3 367.475 0.340 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)c1ccccc1S(=O)(=O)C(F)F ZINC001149262626 849634263 /nfs/dbraw/zinc/63/42/63/849634263.db2.gz NDJCDDFDSDOFFI-SECBINFHSA-N -1 3 359.354 0.925 10 0 FCAEHM C[C@H](C(=O)N(C)CC(=O)NCc1cc(=O)[n-]c(=S)[nH]1)n1cccn1 ZINC001164348099 850408896 /nfs/dbraw/zinc/40/88/96/850408896.db2.gz DYCDWLRCNWRDAY-SECBINFHSA-N -1 3 350.404 0.003 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](n3ccnn3)CC2)c(C)o1 ZINC001168444803 850586602 /nfs/dbraw/zinc/58/66/02/850586602.db2.gz KEAIRYKZJBQXSG-LBPRGKRZSA-N -1 3 367.431 0.955 10 0 FCAEHM CCOc1nnc(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]32)[n-]1 ZINC001174745456 850746314 /nfs/dbraw/zinc/74/63/14/850746314.db2.gz QSKHRLSTATYVAJ-ATZCPNFKSA-N -1 3 354.436 0.868 10 0 FCAEHM CCOc1nc(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]32)n[n-]1 ZINC001174745456 850746322 /nfs/dbraw/zinc/74/63/22/850746322.db2.gz QSKHRLSTATYVAJ-ATZCPNFKSA-N -1 3 354.436 0.868 10 0 FCAEHM CCOc1n[n-]c(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]32)n1 ZINC001174745456 850746329 /nfs/dbraw/zinc/74/63/29/850746329.db2.gz QSKHRLSTATYVAJ-ATZCPNFKSA-N -1 3 354.436 0.868 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)CS(=O)(=O)C(C)(C)C)CC2)n1 ZINC001178038493 850883700 /nfs/dbraw/zinc/88/37/00/850883700.db2.gz CLLDBIIXRTXTLJ-UHFFFAOYSA-N -1 3 356.448 0.353 10 0 FCAEHM C[C@@H](NC(=O)c1ccc(-n2cnnn2)cn1)c1nc(C(F)(F)F)n[n-]1 ZINC001179183634 850960194 /nfs/dbraw/zinc/96/01/94/850960194.db2.gz WFQZJDGXIFAYGH-ZCFIWIBFSA-N -1 3 353.268 0.685 10 0 FCAEHM COC(=O)c1cc(NC(=O)[C@H]2CC[C@@H](C(=O)OC)O2)c([O-])c(OC)c1 ZINC001179886835 851003949 /nfs/dbraw/zinc/00/39/49/851003949.db2.gz XWXIINDUIGNHLT-MNOVXSKESA-N -1 3 353.327 0.847 10 0 FCAEHM O=C(NN1CC(=O)[N-]C1=O)c1cnc(OC2CCOCC2)c(Cl)c1 ZINC001182302302 851168210 /nfs/dbraw/zinc/16/82/10/851168210.db2.gz ASDBWMRHXJPLEB-UHFFFAOYSA-N -1 3 354.750 0.489 10 0 FCAEHM Cc1sc(C(=O)[O-])cc1S(=O)(=O)N1CCC(N2CC[C@@H](O)C2)CC1 ZINC001261890750 858701637 /nfs/dbraw/zinc/70/16/37/858701637.db2.gz NUHXEKSDCJMMNM-GFCCVEGCSA-N -1 3 374.484 0.974 10 0 FCAEHM CCN1CCN(C[C@H](C)CNC(=O)N[C@@]2(C(=O)[O-])CCSC2)CC1 ZINC001262175517 858807985 /nfs/dbraw/zinc/80/79/85/858807985.db2.gz JCFQNLWWVBXDFQ-CJNGLKHVSA-N -1 3 358.508 0.520 10 0 FCAEHM COC(=O)[C@H](Cn1cncn1)[N-]C(=O)C(F)(F)c1ccc(OC)cc1 ZINC001263961760 859255002 /nfs/dbraw/zinc/25/50/02/859255002.db2.gz YLWXWGUQCIHSJT-LBPRGKRZSA-N -1 3 354.313 0.737 10 0 FCAEHM CCO[C@H](C(=O)Nc1c(C(=O)OC)c[n-]c1C(=O)OC)[C@@H]1CCOC1 ZINC001269492191 859549794 /nfs/dbraw/zinc/54/97/94/859549794.db2.gz MSFLOYQWABHRPR-RNCFNFMXSA-N -1 3 354.359 0.968 10 0 FCAEHM C[C@H](CC(C)(C)C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001281681784 863623065 /nfs/dbraw/zinc/62/30/65/863623065.db2.gz VQGKMSYPGVKMQM-RAIGVLPGSA-N -1 3 350.419 0.556 10 0 FCAEHM COCCC[C@@H](C)C(=O)N1C[C@@H](NC(=O)c2ccccc2[O-])[C@@H](O)C1 ZINC001281867684 863850660 /nfs/dbraw/zinc/85/06/60/863850660.db2.gz VTCLYGUYNHFOHN-XPKDYRNWSA-N -1 3 350.415 0.756 10 0 FCAEHM C[C@H](CC(F)(F)F)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1O ZINC001289152716 864953404 /nfs/dbraw/zinc/95/34/04/864953404.db2.gz VDPIJUXHRHJMAH-SZEHBUNVSA-N -1 3 362.308 0.072 10 0 FCAEHM CO[C@@H](C)CCC(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1C ZINC001289281477 865003951 /nfs/dbraw/zinc/00/39/51/865003951.db2.gz WTYRVJNPCGXPTN-NTZNESFSSA-N -1 3 350.419 0.882 10 0 FCAEHM CCOCC(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2c(C)nc(C)[n-]c2=O)C1 ZINC001289302083 865011094 /nfs/dbraw/zinc/01/10/94/865011094.db2.gz VEQAJNLAZQUMCQ-QMTHXVAHSA-N -1 3 350.419 0.341 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1NC(=O)CCCS(N)(=O)=O ZINC001289395992 865045693 /nfs/dbraw/zinc/04/56/93/865045693.db2.gz MSHITRHGYBGAKP-DGCLKSJQSA-N -1 3 369.443 0.038 10 0 FCAEHM CC(C)SCC(=O)N1CC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)[C@@H]2C1 ZINC001289816963 865288516 /nfs/dbraw/zinc/28/85/16/865288516.db2.gz PKMAAJXNBPFPEP-DGCLKSJQSA-N -1 3 350.444 0.997 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)c2ccccc2[O-])CCN1C(=O)CN(C)S(C)(=O)=O ZINC001290577576 865449213 /nfs/dbraw/zinc/44/92/13/865449213.db2.gz LTZKYDOADXWVIQ-YPMHNXCESA-N -1 3 369.443 0.003 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)[C@@]3(C)CCCS3(=O)=O)cc2n(C)c1=O ZINC001298800147 866132478 /nfs/dbraw/zinc/13/24/78/866132478.db2.gz MOKCKPIFKZZIBW-OAHLLOKOSA-N -1 3 353.400 0.488 10 0 FCAEHM Cc1cccc(=O)n1C[C@](C)(O)C(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001300198377 866214568 /nfs/dbraw/zinc/21/45/68/866214568.db2.gz ZLDOZOLJSZSVSU-HNNXBMFYSA-N -1 3 350.400 0.008 10 0 FCAEHM C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCCCc1c[n-][nH]c1=O ZINC001301560178 866269684 /nfs/dbraw/zinc/26/96/84/866269684.db2.gz AEFJKJFTABYMPJ-WDEREUQCSA-N -1 3 370.406 0.121 10 0 FCAEHM Cc1ccc(C)c(S(=O)(=O)NCC(=O)NCCCc2c[n-][nH]c2=O)c1 ZINC001301561724 866270667 /nfs/dbraw/zinc/27/06/67/866270667.db2.gz OUFAJQUHLWBDSH-ZDUSSCGKSA-N -1 3 366.443 0.210 10 0 FCAEHM Cn1cc(CNC(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)nn1 ZINC001349534321 866370708 /nfs/dbraw/zinc/37/07/08/866370708.db2.gz NMJGQPAOEPGUHW-UHFFFAOYSA-N -1 3 356.383 0.325 10 0 FCAEHM CCOCCCC(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]2C1 ZINC001316748493 867443581 /nfs/dbraw/zinc/44/35/81/867443581.db2.gz RNXXCWMNKXLVMU-KGLIPLIRSA-N -1 3 351.451 0.205 10 0 FCAEHM CC(C)n1c([C@H]2CCCN(C(=O)Cc3[nH]c(O)nc3O)C2)n[n-]c1=S ZINC001319611269 867962417 /nfs/dbraw/zinc/96/24/17/867962417.db2.gz DKOFDLBGMSMERK-UWVGGRQHSA-N -1 3 366.447 0.452 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)CSc3cccc[n+]3[O-])cc2n(C)c1=O ZINC001324808735 869680982 /nfs/dbraw/zinc/68/09/82/869680982.db2.gz GFUSESUMYUKCQO-UHFFFAOYSA-N -1 3 360.395 0.947 10 0 FCAEHM C[C@@H](NC(=O)C(=O)N(C)C[C@@H]1CCCN1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001327160623 870694225 /nfs/dbraw/zinc/69/42/25/870694225.db2.gz OSIJUFXTDPTHPP-ZOBORPQBSA-N -1 3 353.463 0.791 10 0 FCAEHM CC[C@H](NC(=O)C(=O)NCc1nc(C(F)(F)F)n[n-]1)[C@@H]1CCCCO1 ZINC001327237013 870736600 /nfs/dbraw/zinc/73/66/00/870736600.db2.gz SHYUFWRINGZNLI-IUCAKERBSA-N -1 3 363.340 0.904 10 0 FCAEHM COC(=O)[C@@H](Cn1cncn1)[N-]C(=O)C(F)(F)c1ccccc1OC ZINC001347467737 872347554 /nfs/dbraw/zinc/34/75/54/872347554.db2.gz UVDGJSYUJUENRA-LLVKDONJSA-N -1 3 354.313 0.737 10 0 FCAEHM C[C@]1(C(F)F)CN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CCO1 ZINC001329967862 872394297 /nfs/dbraw/zinc/39/42/97/872394297.db2.gz ZWHSYQAEZPBFSG-OAHLLOKOSA-N -1 3 358.345 0.821 10 0 FCAEHM CCO[C@H](C(=O)N[C@@H]1CCN(c2nc(C)cc(=O)[n-]2)C1)[C@H]1CCOC1 ZINC001347670800 872445609 /nfs/dbraw/zinc/44/56/09/872445609.db2.gz GYBBFFFMWWFTKA-GUTXKFCHSA-N -1 3 350.419 0.627 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(N(C)C(C)=O)nc1)[C@@H]1CCOC1 ZINC001330128864 872480069 /nfs/dbraw/zinc/48/00/69/872480069.db2.gz PKHFDRZSSXCZPH-OCCSQVGLSA-N -1 3 357.432 0.858 10 0 FCAEHM C[C@H]1COCCN1CC[N-]S(=O)(=O)c1cn(C)nc1Br ZINC001330368214 872597396 /nfs/dbraw/zinc/59/73/96/872597396.db2.gz XHNGANVUBWLZRX-VIFPVBQESA-N -1 3 367.269 0.182 10 0 FCAEHM COC(=O)Cc1n[n-]c(NC(=O)[C@@H](F)C2CN(C(=O)OC(C)(C)C)C2)n1 ZINC000291716177 214053425 /nfs/dbraw/zinc/05/34/25/214053425.db2.gz AURZYGMVYHNOQN-NSHDSACASA-N -1 3 371.369 0.664 10 0 FCAEHM COC(=O)Cc1nnc(NC(=O)[C@@H](F)C2CN(C(=O)OC(C)(C)C)C2)[n-]1 ZINC000291716177 214053428 /nfs/dbraw/zinc/05/34/28/214053428.db2.gz AURZYGMVYHNOQN-NSHDSACASA-N -1 3 371.369 0.664 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)[C@@H](F)C2CN(C(=O)OC(C)(C)C)C2)n[n-]1 ZINC000291716177 214053432 /nfs/dbraw/zinc/05/34/32/214053432.db2.gz AURZYGMVYHNOQN-NSHDSACASA-N -1 3 371.369 0.664 10 0 FCAEHM CC[C@@H]1CCN1S(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000291979105 214068772 /nfs/dbraw/zinc/06/87/72/214068772.db2.gz RPYXFLQRLJNMEI-QLJPJBMISA-N -1 3 367.427 0.923 10 0 FCAEHM C[C@@](O)(C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O)c1ccc(Cl)cc1 ZINC000294345334 214238901 /nfs/dbraw/zinc/23/89/01/214238901.db2.gz SIAKQSOWYHTRBL-HOTGVXAUSA-N -1 3 351.790 0.748 10 0 FCAEHM CCOc1ccncc1S(=O)(=O)[N-]C[C@H]1COC2(CCOCC2)O1 ZINC000295162218 214280724 /nfs/dbraw/zinc/28/07/24/214280724.db2.gz NJAUAWDCUBZWMJ-LBPRGKRZSA-N -1 3 358.416 0.681 10 0 FCAEHM Cc1cccnc1CCNC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000295973103 214326242 /nfs/dbraw/zinc/32/62/42/214326242.db2.gz JFHFAQXUEOLLBC-UHFFFAOYSA-N -1 3 367.203 0.774 10 0 FCAEHM CC[C@H](NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O)[C@H](O)C(F)F ZINC000296380136 214347037 /nfs/dbraw/zinc/34/70/37/214347037.db2.gz VPIDXROGAUBSQD-AAEUAGOBSA-N -1 3 355.341 0.601 10 0 FCAEHM CC[C@@H](NC(=O)NCC[N-]S(=O)(=O)c1cccs1)[C@@H](O)C(F)F ZINC000297160482 214382370 /nfs/dbraw/zinc/38/23/70/214382370.db2.gz DPQDJULALPYXBB-PSASIEDQSA-N -1 3 371.431 0.730 10 0 FCAEHM CCOCc1nc([C@@H](C)NC(=O)c2cc(S(=O)(=O)[N-]C)oc2C)no1 ZINC000291164644 214017097 /nfs/dbraw/zinc/01/70/97/214017097.db2.gz KRPDCVRGCCFVJF-MRVPVSSYSA-N -1 3 372.403 0.907 10 0 FCAEHM C[C@@H]1CN(C(=O)CC[N-]S(=O)(=O)c2cccs2)CCS1(=O)=O ZINC000265674971 210194200 /nfs/dbraw/zinc/19/42/00/210194200.db2.gz IEAPCXSQDQDEBO-SNVBAGLBSA-N -1 3 366.486 0.062 10 0 FCAEHM COC(=O)Cc1n[n-]c(NC(=O)[C@H]2CSCN2C(=O)C2CCCC2)n1 ZINC000265674358 210194261 /nfs/dbraw/zinc/19/42/61/210194261.db2.gz RTVZJOSGMJQCBR-SNVBAGLBSA-N -1 3 367.431 0.550 10 0 FCAEHM COC(=O)Cc1nnc(NC(=O)[C@H]2CSCN2C(=O)C2CCCC2)[n-]1 ZINC000265674358 210194264 /nfs/dbraw/zinc/19/42/64/210194264.db2.gz RTVZJOSGMJQCBR-SNVBAGLBSA-N -1 3 367.431 0.550 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)[C@H]2CSCN2C(=O)C2CCCC2)n[n-]1 ZINC000265674358 210194265 /nfs/dbraw/zinc/19/42/65/210194265.db2.gz RTVZJOSGMJQCBR-SNVBAGLBSA-N -1 3 367.431 0.550 10 0 FCAEHM CC(C)N1C[C@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)CC1=O ZINC000265610304 210178679 /nfs/dbraw/zinc/17/86/79/210178679.db2.gz FEUACQLINCMZEV-NWDGAFQWSA-N -1 3 371.434 0.618 10 0 FCAEHM CC(C)(C)OC(=O)NCC1(NC(=O)CN2CC(=O)[N-]C2=O)CCCC1 ZINC000265572237 210169029 /nfs/dbraw/zinc/16/90/29/210169029.db2.gz HBHSFJYVXCIPCT-UHFFFAOYSA-N -1 3 354.407 0.492 10 0 FCAEHM Cc1ccccc1CC(=O)N1CCN(C(=O)CN2CC(=O)[N-]C2=O)CC1 ZINC000329411669 214857514 /nfs/dbraw/zinc/85/75/14/214857514.db2.gz BVGHDGOKGXFDRJ-UHFFFAOYSA-N -1 3 358.398 0.600 10 0 FCAEHM CCOCCCNC(=O)c1cccc(NC(=O)CN2CC(=O)[N-]C2=O)c1 ZINC000265455054 210139552 /nfs/dbraw/zinc/13/95/52/210139552.db2.gz PUXNKXZEXDHXKI-UHFFFAOYSA-N -1 3 362.386 0.333 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CSC[C@@H]1C(=O)Nc1ccccc1F ZINC000265450535 210138974 /nfs/dbraw/zinc/13/89/74/210138974.db2.gz CUALQHCZVZVLKI-LLVKDONJSA-N -1 3 366.374 0.218 10 0 FCAEHM COC(=O)CCN(Cc1ccc(F)c(F)c1)C(=O)CN1CC(=O)[N-]C1=O ZINC000265431286 210134311 /nfs/dbraw/zinc/13/43/11/210134311.db2.gz RZJHIOXZLKVEGB-UHFFFAOYSA-N -1 3 369.324 0.408 10 0 FCAEHM CN(C(=O)CN1CC(=O)[N-]C1=O)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000264950575 210023261 /nfs/dbraw/zinc/02/32/61/210023261.db2.gz UELRMLBYYPPUOZ-GFCCVEGCSA-N -1 3 364.789 0.456 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000332803229 215211278 /nfs/dbraw/zinc/21/12/78/215211278.db2.gz JRDRIBIQDOWDEI-CHIMOYNISA-N -1 3 371.484 0.588 10 0 FCAEHM CC(C)(C)[C@@H](O)C[C@H](CO)NC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000285729821 213385342 /nfs/dbraw/zinc/38/53/42/213385342.db2.gz DSRXWYOKWWDJKV-MNOVXSKESA-N -1 3 364.489 0.301 10 0 FCAEHM COc1cccc([C@H]2[C@@H](NC(=O)C[C@@H]3NC(=O)[N-]C3=O)CCN2C2CC2)c1 ZINC000360754660 215369744 /nfs/dbraw/zinc/36/97/44/215369744.db2.gz JZPACECSMZCTIL-ZOBUZTSGSA-N -1 3 372.425 0.687 10 0 FCAEHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000360971997 215378012 /nfs/dbraw/zinc/37/80/12/215378012.db2.gz GLORQDDZCGXELB-ZDUSSCGKSA-N -1 3 371.393 0.281 10 0 FCAEHM CCC[C@@]1(NS(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)CCOC1 ZINC000285391003 213334474 /nfs/dbraw/zinc/33/44/74/213334474.db2.gz SKXSHEPGHYOZGK-OAHLLOKOSA-N -1 3 368.415 0.272 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CO)C[C@H](O)C(C)(C)C)s1 ZINC000284812554 213225720 /nfs/dbraw/zinc/22/57/20/213225720.db2.gz ZWPHWJALQNOYFJ-KOLCDFICSA-N -1 3 365.473 0.971 10 0 FCAEHM CN1CCO[C@@H]2CCN(C(=O)CCn3[n-]c(=O)c4ccccc4c3=O)C[C@@H]21 ZINC000284620816 213182219 /nfs/dbraw/zinc/18/22/19/213182219.db2.gz UPVAEOMEKKACMU-JKSUJKDBSA-N -1 3 372.425 0.011 10 0 FCAEHM Cn1cc(N2CC[C@@H]([N-]C(=O)C(F)(F)C3(O)CCCCC3)C2=O)cn1 ZINC000366777483 216029867 /nfs/dbraw/zinc/02/98/67/216029867.db2.gz QGEYQUOGHMVLTD-GFCCVEGCSA-N -1 3 356.373 0.972 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@@H]1COC2(CCOCC2)O1 ZINC000367763263 216159336 /nfs/dbraw/zinc/15/93/36/216159336.db2.gz KEDVHFIPJQAIOP-SNVBAGLBSA-N -1 3 365.839 0.582 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000368084445 216200867 /nfs/dbraw/zinc/20/08/67/216200867.db2.gz GLDPFLSWXVHCRW-NEPJUHHUSA-N -1 3 372.360 0.113 10 0 FCAEHM C[C@@H](C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O)N1CCc2ccccc2C1 ZINC000194996423 209332222 /nfs/dbraw/zinc/33/22/22/209332222.db2.gz WYTQKIMJQNYICH-ORAYPTAESA-N -1 3 356.426 0.634 10 0 FCAEHM Cc1cc(C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)nn1-c1ccccc1 ZINC000195018176 209331757 /nfs/dbraw/zinc/33/17/57/209331757.db2.gz NSLNUYQDGGZGAF-SFHVURJKSA-N -1 3 353.382 0.995 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CC[C@H](CC(F)(F)F)C2)c1 ZINC000277806966 212399699 /nfs/dbraw/zinc/39/96/99/212399699.db2.gz GUHRBFFGUUDTLG-SECBINFHSA-N -1 3 354.354 0.499 10 0 FCAEHM CN(C(=O)C(=O)[N-]c1cnns1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000277457375 212361811 /nfs/dbraw/zinc/36/18/11/212361811.db2.gz GSHVXTBDQKZDKR-NSHDSACASA-N -1 3 363.374 0.880 10 0 FCAEHM COC(=O)[C@@H](O)C(C)(C)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000277034468 212321709 /nfs/dbraw/zinc/32/17/09/212321709.db2.gz LLOQEGJQLKGVIQ-MRVPVSSYSA-N -1 3 357.215 0.979 10 0 FCAEHM CO[C@@H]1CN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)CC[C@H]1C ZINC000187961208 209220978 /nfs/dbraw/zinc/22/09/78/209220978.db2.gz DJIOOIPZSXQPLR-PSASIEDQSA-N -1 3 360.208 0.183 10 0 FCAEHM COc1ccc(CN2CC[C@H]([N-]S(=O)(=O)[C@@H]3CCO[C@@H]3C)C2=O)cc1 ZINC000276127090 212166142 /nfs/dbraw/zinc/16/61/42/212166142.db2.gz ZPYGCIOXAIOXHU-UHOFOFEASA-N -1 3 368.455 0.893 10 0 FCAEHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCN(C(C)=O)C[C@H]1C ZINC000276087150 212155862 /nfs/dbraw/zinc/15/58/62/212155862.db2.gz FAAXRJQNNVIQDZ-SNVBAGLBSA-N -1 3 367.427 0.943 10 0 FCAEHM COC[C@@H]1CN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)C[C@@H](C)O1 ZINC000276064442 212150597 /nfs/dbraw/zinc/15/05/97/212150597.db2.gz SRJBVIRVKVGLMJ-AGIUHOORSA-N -1 3 374.434 0.755 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cn1 ZINC000373495217 217024588 /nfs/dbraw/zinc/02/45/88/217024588.db2.gz WENWPBPVMLRNRI-CQSZACIVSA-N -1 3 374.422 0.525 10 0 FCAEHM Cc1ccc(S(=O)(=O)CCCN2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000373842638 217065812 /nfs/dbraw/zinc/06/58/12/217065812.db2.gz BVPGZDOONGOIGO-KRWDZBQOSA-N -1 3 365.455 0.833 10 0 FCAEHM O=C(CC[C@@H]1NC(=O)[N-]C1=O)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000373950117 217078522 /nfs/dbraw/zinc/07/85/22/217078522.db2.gz DEVVVEXEWQFMNZ-RYUDHWBXSA-N -1 3 356.386 0.424 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000374480311 217134705 /nfs/dbraw/zinc/13/47/05/217134705.db2.gz UPVPMXCDLVUJSD-MRXNPFEDSA-N -1 3 351.790 0.710 10 0 FCAEHM Cc1nc2c(s1)[C@@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)CCC2 ZINC000374751095 217168215 /nfs/dbraw/zinc/16/82/15/217168215.db2.gz GTQUNICEVHKJFR-NSHDSACASA-N -1 3 369.472 0.657 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCOC[C@@H]1c1noc(-c2ccccc2)n1 ZINC000374789789 217174391 /nfs/dbraw/zinc/17/43/91/217174391.db2.gz YLODJYGGEOMGPN-GFCCVEGCSA-N -1 3 371.353 0.188 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000182893687 209139313 /nfs/dbraw/zinc/13/93/13/209139313.db2.gz RYBOHGPVHYDGIB-VIFPVBQESA-N -1 3 354.769 0.726 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000375304500 217247185 /nfs/dbraw/zinc/24/71/85/217247185.db2.gz WGYNUUSLFARCGU-UHFFFAOYSA-N -1 3 352.341 0.555 10 0 FCAEHM Cn1cc(N2CCC[C@H](NC(=O)c3cnc4c(cnn4C)c3[O-])C2)cn1 ZINC000182071220 209125681 /nfs/dbraw/zinc/12/56/81/209125681.db2.gz LONFJDKSKGZFSS-NSHDSACASA-N -1 3 355.402 0.806 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCN2CCC1CC2 ZINC000375584597 217287824 /nfs/dbraw/zinc/28/78/24/217287824.db2.gz REPNRZDCFYQLRA-UHFFFAOYSA-N -1 3 359.473 0.063 10 0 FCAEHM O=C(NC[C@H](CO)[C@@H]1CCOC1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000375930361 217336203 /nfs/dbraw/zinc/33/62/03/217336203.db2.gz YSKQECUUGUFAOR-FMKPAKJESA-N -1 3 362.426 0.758 10 0 FCAEHM C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000419477027 246177134 /nfs/dbraw/zinc/17/71/34/246177134.db2.gz HGENGVSMYBRPAE-DTWKUNHWSA-N -1 3 350.345 0.420 10 0 FCAEHM C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000419477027 246177137 /nfs/dbraw/zinc/17/71/37/246177137.db2.gz HGENGVSMYBRPAE-DTWKUNHWSA-N -1 3 350.345 0.420 10 0 FCAEHM CC(C)C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1)C(=O)[O-] ZINC000424479703 247233509 /nfs/dbraw/zinc/23/35/09/247233509.db2.gz IDIBDSPAWQFPTA-LSDHHAIUSA-N -1 3 353.463 0.936 10 0 FCAEHM CC(C)C[C@H](CNC(=O)C(=O)[N-]c1ncnn1C)C(=O)OC(C)(C)C ZINC000425792974 247384630 /nfs/dbraw/zinc/38/46/30/247384630.db2.gz MDMHODUVEMNLJJ-LLVKDONJSA-N -1 3 353.423 0.296 10 0 FCAEHM O=C(c1ccco1)N1CCCC[C@@H]1C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000408453812 217777686 /nfs/dbraw/zinc/77/76/86/217777686.db2.gz TTYVWVUWBSRAGH-KZULUSFZSA-N -1 3 374.397 0.475 10 0 FCAEHM C[C@@]1(c2cccc(NS(=O)(=O)c3c[nH]c(=O)s3)c2)NC(=O)[N-]C1=O ZINC000436480808 248042869 /nfs/dbraw/zinc/04/28/69/248042869.db2.gz YGUUCUCEFSCEBL-ZDUSSCGKSA-N -1 3 368.396 0.704 10 0 FCAEHM CS(=O)(=O)N1CC[C@H](CN2CCN(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000436670481 248046562 /nfs/dbraw/zinc/04/65/62/248046562.db2.gz GFRVEAXCPBSUAL-CQSZACIVSA-N -1 3 367.471 0.432 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H](CO)Cc1ccccc1 ZINC000438901385 248101239 /nfs/dbraw/zinc/10/12/39/248101239.db2.gz ZZBBMNFJPILQEJ-AWEZNQCLSA-N -1 3 369.464 0.972 10 0 FCAEHM CC(C)NS(=O)(=O)NCCNC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436876736 248053389 /nfs/dbraw/zinc/05/33/89/248053389.db2.gz JXIYKKHEWUIZIQ-UHFFFAOYSA-N -1 3 355.460 0.833 10 0 FCAEHM Cn1c(=O)ccn(CC(=O)Nc2ccc(OC(F)(F)F)cc2[O-])c1=O ZINC000442925589 248300254 /nfs/dbraw/zinc/30/02/54/248300254.db2.gz NLLNEOFNZFIDQI-UHFFFAOYSA-N -1 3 359.260 0.790 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)Cc1noc(C)n1 ZINC000443047620 248304438 /nfs/dbraw/zinc/30/44/38/248304438.db2.gz VMCYCVIHZCXYRB-UHFFFAOYSA-N -1 3 360.417 0.107 10 0 FCAEHM CCc1nc(C(C)(C)[N-]S(=O)(=O)c2cnn(CC(=O)OC)c2)no1 ZINC000443151529 248308968 /nfs/dbraw/zinc/30/89/68/248308968.db2.gz AKRKWWJTAXRWHR-UHFFFAOYSA-N -1 3 357.392 0.215 10 0 FCAEHM Cn1cc(C(=O)NCCN2CCc3c(Cl)cccc3C2)c(=O)[n-]c1=O ZINC000443560046 248332044 /nfs/dbraw/zinc/33/20/44/248332044.db2.gz PMRVFYPMFHIPNB-UHFFFAOYSA-N -1 3 362.817 0.927 10 0 FCAEHM CC(F)(F)c1cccc(NC(=O)C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)c1 ZINC000442026562 248271435 /nfs/dbraw/zinc/27/14/35/248271435.db2.gz HINNBOVLZDFJST-NSHDSACASA-N -1 3 366.324 0.499 10 0 FCAEHM O=C(N[C@H]1CNC(=O)C1)c1c[n-]c2ccc(Br)cc2c1=O ZINC000444339434 248355416 /nfs/dbraw/zinc/35/54/16/248355416.db2.gz HPRSOUMAQSEOGF-MRVPVSSYSA-N -1 3 350.172 0.909 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CC[C@](O)(C(F)F)C1 ZINC000452671318 249327177 /nfs/dbraw/zinc/32/71/77/249327177.db2.gz DNILUFSODVDTTC-GFCCVEGCSA-N -1 3 354.400 0.645 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)NCCc2ncccc2C)cn1C ZINC000452788663 249332752 /nfs/dbraw/zinc/33/27/52/249332752.db2.gz AMLPVLAQDKBDBR-UHFFFAOYSA-N -1 3 365.459 0.459 10 0 FCAEHM CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000271411601 211397616 /nfs/dbraw/zinc/39/76/16/211397616.db2.gz KBHLVVNGEWLIAS-UONOGXRCSA-N -1 3 351.378 0.942 10 0 FCAEHM Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000271389612 211393328 /nfs/dbraw/zinc/39/33/28/211393328.db2.gz UQBULTPTSAXGCI-NWDGAFQWSA-N -1 3 362.411 0.433 10 0 FCAEHM CC(C)C[C@@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)C(=O)Nc1nccs1 ZINC000271360213 211387377 /nfs/dbraw/zinc/38/73/77/211387377.db2.gz QTXSBONYLPVVMA-BDAKNGLRSA-N -1 3 353.404 0.211 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)[C@@H]2CCOC2)cc1F ZINC000271229723 211359798 /nfs/dbraw/zinc/35/97/98/211359798.db2.gz TVRPWNQHIURZCK-SNVBAGLBSA-N -1 3 366.436 0.997 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O)[C@H](C)CO ZINC000271046627 211323694 /nfs/dbraw/zinc/32/36/94/211323694.db2.gz IHZXVICYMNOBBW-RKDXNWHRSA-N -1 3 350.824 0.499 10 0 FCAEHM CCC[C@H]1C(=O)NCCN1C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000270841592 211280657 /nfs/dbraw/zinc/28/06/57/211280657.db2.gz IDHTYQFHVWZPIS-AAEUAGOBSA-N -1 3 371.434 0.620 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000270626769 211238321 /nfs/dbraw/zinc/23/83/21/211238321.db2.gz UWYGEOHIURBHFG-MNOVXSKESA-N -1 3 364.789 0.550 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCCOc1ccc(Br)cc1 ZINC000270689684 211248523 /nfs/dbraw/zinc/24/85/23/211248523.db2.gz VPDUCTWRFPMNNV-JTQLQIEISA-N -1 3 356.176 0.542 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000270609381 211234166 /nfs/dbraw/zinc/23/41/66/211234166.db2.gz QIQPQGVPBOYSPZ-LBPRGKRZSA-N -1 3 359.382 0.941 10 0 FCAEHM CC(C)(C)OC(=O)NCC1(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)CCCC1 ZINC000270577421 211227008 /nfs/dbraw/zinc/22/70/08/211227008.db2.gz ISVBVHYXQGTIFM-JTQLQIEISA-N -1 3 354.407 0.538 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CSC[C@@H]1C(=O)Nc1ccccc1F ZINC000270567999 211225394 /nfs/dbraw/zinc/22/53/94/211225394.db2.gz GBTKOBASFRXZTL-WDEREUQCSA-N -1 3 366.374 0.264 10 0 FCAEHM CN1CCN(CCCNC(=O)C[C@@H]2NC(=O)[N-]C2=O)[C@H](c2ccccc2)C1 ZINC000270571823 211224975 /nfs/dbraw/zinc/22/49/75/211224975.db2.gz BQHTYCTVOWIEGS-HOTGVXAUSA-N -1 3 373.457 0.080 10 0 FCAEHM COC[C@@H](CCO)[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000270374626 211191108 /nfs/dbraw/zinc/19/11/08/211191108.db2.gz LDGFTIHWMGHHKZ-SNVBAGLBSA-N -1 3 351.808 0.802 10 0 FCAEHM COC(=O)c1sccc1S(=O)(=O)[N-][C@]1(C(=O)OC)CCSC1 ZINC000270213701 211168724 /nfs/dbraw/zinc/16/87/24/211168724.db2.gz GAYVCNQZPCGELN-GFCCVEGCSA-N -1 3 365.454 0.862 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CO)c2cnn(C)c2)c(Cl)c1 ZINC000270150688 211158811 /nfs/dbraw/zinc/15/88/11/211158811.db2.gz CPHOXMXCNWCNMU-LBPRGKRZSA-N -1 3 373.818 0.872 10 0 FCAEHM C[C@@H](NC(=O)NCc1ncccc1[O-])c1cccc(S(N)(=O)=O)c1 ZINC000471528338 250106533 /nfs/dbraw/zinc/10/65/33/250106533.db2.gz SOWLJIJZJAALCU-SNVBAGLBSA-N -1 3 350.400 0.995 10 0 FCAEHM Cc1cccc(=O)n1C[C@@](C)(O)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000472329158 250146782 /nfs/dbraw/zinc/14/67/82/250146782.db2.gz RZDGJUCBSHVWLD-GOSISDBHSA-N -1 3 368.397 0.650 10 0 FCAEHM Cc1cccc(=O)n1C[C@@](C)(O)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000472329158 250146784 /nfs/dbraw/zinc/14/67/84/250146784.db2.gz RZDGJUCBSHVWLD-GOSISDBHSA-N -1 3 368.397 0.650 10 0 FCAEHM COc1cc(C(=O)NCC(C)(C)N2CCS(=O)CC2)cc(OC)c1[O-] ZINC000269960112 211127647 /nfs/dbraw/zinc/12/76/47/211127647.db2.gz SHRAMGVBSPADAO-UHFFFAOYSA-N -1 3 370.471 0.982 10 0 FCAEHM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]c2ncn(C(C)(C)C)n2)cn1 ZINC000472036313 250128117 /nfs/dbraw/zinc/12/81/17/250128117.db2.gz XASUESGNVFOCAN-UHFFFAOYSA-N -1 3 352.420 0.931 10 0 FCAEHM C[C@@H]1Oc2ccc(NC(=O)C(=O)NCc3ncccc3[O-])cc2NC1=O ZINC000473064831 250197879 /nfs/dbraw/zinc/19/78/79/250197879.db2.gz DAPWSQDSAPULEH-VIFPVBQESA-N -1 3 356.338 0.762 10 0 FCAEHM O=C(NCc1ncccc1[O-])C(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000473066684 250198401 /nfs/dbraw/zinc/19/84/01/250198401.db2.gz OAASQGWIUNJQAR-UHFFFAOYSA-N -1 3 352.354 0.682 10 0 FCAEHM Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NCc1ncccc1[O-] ZINC000473635094 250242890 /nfs/dbraw/zinc/24/28/90/250242890.db2.gz FEDJSVHTVVLCPB-UHFFFAOYSA-N -1 3 368.397 0.795 10 0 FCAEHM O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NCc1ncccc1[O-] ZINC000473642128 250244598 /nfs/dbraw/zinc/24/45/98/250244598.db2.gz PBIIIFYYMRRTOU-UHFFFAOYSA-N -1 3 366.377 0.475 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]Cc2cccc(CS(C)(=O)=O)c2)c1 ZINC000474086571 250270281 /nfs/dbraw/zinc/27/02/81/250270281.db2.gz AUXCDWONGKLROF-UHFFFAOYSA-N -1 3 357.457 0.926 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-][C@@H](C)c2cccc(S(=O)(=O)NC)c2)c1 ZINC000474090122 250270449 /nfs/dbraw/zinc/27/04/49/250270449.db2.gz QNXOYUDMQZGYLR-NSHDSACASA-N -1 3 372.472 0.851 10 0 FCAEHM CC(=O)c1ccc(S(=O)(=O)NCC(=O)NCc2ncccc2[O-])cc1 ZINC000473863401 250255316 /nfs/dbraw/zinc/25/53/16/250255316.db2.gz OZFIGSYKKFCNBD-UHFFFAOYSA-N -1 3 363.395 0.585 10 0 FCAEHM CCNC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2C(=O)OC)C1 ZINC000269767767 211071750 /nfs/dbraw/zinc/07/17/50/211071750.db2.gz DXGNJQAANHQEOO-LLVKDONJSA-N -1 3 373.406 0.694 10 0 FCAEHM O=C(NCC[C@@H](O)C(F)(F)F)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1 ZINC000481096684 250313757 /nfs/dbraw/zinc/31/37/57/250313757.db2.gz ZCTXAIDRQOQKEX-GHMZBOCLSA-N -1 3 374.319 0.872 10 0 FCAEHM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]C[C@H](O)C(F)(F)F ZINC000269750894 211064937 /nfs/dbraw/zinc/06/49/37/211064937.db2.gz YXEXOOXKWYBNNQ-NSHDSACASA-N -1 3 356.322 0.855 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-]Cc2ccnn2C)c(C(=O)OC)s1 ZINC000269675637 211042660 /nfs/dbraw/zinc/04/26/60/211042660.db2.gz QGILNVDZKGXGHZ-UHFFFAOYSA-N -1 3 373.412 0.533 10 0 FCAEHM O=C([N-]CCCN1CC[C@@H](S(=O)(=O)N2CCCC2)C1)C(F)(F)F ZINC000091594671 208137818 /nfs/dbraw/zinc/13/78/18/208137818.db2.gz ZBZZHUXKHDWSLI-LLVKDONJSA-N -1 3 357.398 0.555 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)[N-]C2=NCCS2)C1 ZINC000105258427 208197163 /nfs/dbraw/zinc/19/71/63/208197163.db2.gz XLKYRJQRROXXIV-LLVKDONJSA-N -1 3 372.472 0.911 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N(C)CCn1cccn1 ZINC000109971418 208266186 /nfs/dbraw/zinc/26/61/86/208266186.db2.gz AKJORCSZYUQPIA-LBPRGKRZSA-N -1 3 354.407 0.848 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)NCCCN1CCCC1=O ZINC000117275483 208341704 /nfs/dbraw/zinc/34/17/04/208341704.db2.gz IQSPTAFHLBBXIJ-UHFFFAOYSA-N -1 3 370.409 0.799 10 0 FCAEHM Cn1ncc2c1ncc(C(=O)NCc1cccnc1-n1cncn1)c2[O-] ZINC000119156510 208357098 /nfs/dbraw/zinc/35/70/98/208357098.db2.gz MXFOYNLPJBIIOW-UHFFFAOYSA-N -1 3 350.342 0.580 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)n[n-]1 ZINC000119346329 208359855 /nfs/dbraw/zinc/35/98/55/208359855.db2.gz NVRMPXRJKLYQMG-GHMZBOCLSA-N -1 3 356.386 0.924 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)[n-]n1 ZINC000119346329 208359860 /nfs/dbraw/zinc/35/98/60/208359860.db2.gz NVRMPXRJKLYQMG-GHMZBOCLSA-N -1 3 356.386 0.924 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2Cn2ccnc2)c(C)o1 ZINC000176257781 209001057 /nfs/dbraw/zinc/00/10/57/209001057.db2.gz JGOVQFRNYATYEW-GFCCVEGCSA-N -1 3 352.416 0.997 10 0 FCAEHM Cc1c(CNC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)cnn1C ZINC000179898155 209088295 /nfs/dbraw/zinc/08/82/95/209088295.db2.gz BAHPKRPYJMPORH-JTQLQIEISA-N -1 3 354.407 0.851 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)c2ccc(CS(N)(=O)=O)cc2)n[n-]1 ZINC000179056338 209071252 /nfs/dbraw/zinc/07/12/52/209071252.db2.gz AQUJMEPNWYRESV-UHFFFAOYSA-N -1 3 360.399 0.851 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)c2ccc(CS(N)(=O)=O)cc2)[n-]n1 ZINC000179056338 209071257 /nfs/dbraw/zinc/07/12/57/209071257.db2.gz AQUJMEPNWYRESV-UHFFFAOYSA-N -1 3 360.399 0.851 10 0 FCAEHM CS(=O)(=O)NC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccccc1F ZINC000409813012 533405092 /nfs/dbraw/zinc/40/50/92/533405092.db2.gz RMBWJOLXEQSQOF-CMPLNLGQSA-N -1 3 350.437 0.822 10 0 FCAEHM COC(=O)[C@H](CF)[N-]S(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000287433309 488869739 /nfs/dbraw/zinc/86/97/39/488869739.db2.gz NBCYHMPFFDDJIG-VIFPVBQESA-N -1 3 357.356 0.019 10 0 FCAEHM CC(=O)c1ccc(S(=O)(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000278669096 488888028 /nfs/dbraw/zinc/88/80/28/488888028.db2.gz HSMILJGZJZIWKB-OAHLLOKOSA-N -1 3 351.384 0.252 10 0 FCAEHM CN(C)c1ccc(S(=O)(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000278731283 488892578 /nfs/dbraw/zinc/89/25/78/488892578.db2.gz LYIPRYQUGFMPBF-OAHLLOKOSA-N -1 3 352.416 0.115 10 0 FCAEHM Cc1cnc2c(cccc2S(=O)(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000278825644 488898090 /nfs/dbraw/zinc/89/80/90/488898090.db2.gz UERZKHZQDVZTRS-QGZVFWFLSA-N -1 3 374.422 0.906 10 0 FCAEHM CC(C)c1nc(S(=O)(=O)[N-][C@H]2CCCN(c3ccnn3C)C2=O)c[nH]1 ZINC000328613566 488923663 /nfs/dbraw/zinc/92/36/63/488923663.db2.gz SIOVQTXSXVXRJV-NSHDSACASA-N -1 3 366.447 0.741 10 0 FCAEHM COC[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F)[C@@H]1CCCO1 ZINC000279346802 488934390 /nfs/dbraw/zinc/93/43/90/488934390.db2.gz FFMIESYFJWPVOJ-YUTCNCBUSA-N -1 3 374.434 0.803 10 0 FCAEHM O=C(CCCNC(=O)c1ccccc1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279355940 488935355 /nfs/dbraw/zinc/93/53/55/488935355.db2.gz CSEHUMNLXYVFCC-GOSISDBHSA-N -1 3 358.398 0.397 10 0 FCAEHM O=C(Cn1cnc(-c2ccccc2)n1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279369872 488936277 /nfs/dbraw/zinc/93/62/77/488936277.db2.gz DSEQBPDYCCECFI-QGZVFWFLSA-N -1 3 354.370 0.146 10 0 FCAEHM CC(C)(C)OC(=O)N1CC(C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)C1 ZINC000279376700 488936764 /nfs/dbraw/zinc/93/67/64/488936764.db2.gz FEHKUDPOSQAHRU-MRXNPFEDSA-N -1 3 352.391 0.054 10 0 FCAEHM COCCCOc1ccc(C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000279449501 488943395 /nfs/dbraw/zinc/94/33/95/488943395.db2.gz KKLOVNIUIDRLJJ-GOSISDBHSA-N -1 3 361.398 0.916 10 0 FCAEHM CC(C)(C)OC(=O)NC1(C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)CC1 ZINC000279449535 488943404 /nfs/dbraw/zinc/94/34/04/488943404.db2.gz KKTJLDWEVKGOCE-MRXNPFEDSA-N -1 3 352.391 0.244 10 0 FCAEHM C[C@@H]1Sc2ccc(C(=O)N3CCC[C@@]4(C3)NC(=O)[N-]C4=O)cc2NC1=O ZINC000279463173 488944068 /nfs/dbraw/zinc/94/40/68/488944068.db2.gz LGXMAZTZIBEOKU-XYZCENFISA-N -1 3 374.422 0.934 10 0 FCAEHM COc1ccc(CCC(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1OC ZINC000279505019 488947616 /nfs/dbraw/zinc/94/76/16/488947616.db2.gz OEFNYVNELKQFKM-SFHVURJKSA-N -1 3 361.398 0.837 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000279527534 488949954 /nfs/dbraw/zinc/94/99/54/488949954.db2.gz MQGTUOKDXMJNBD-QMTHXVAHSA-N -1 3 357.457 0.154 10 0 FCAEHM CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1C ZINC000279631945 488958226 /nfs/dbraw/zinc/95/82/26/488958226.db2.gz YDXAVUMRHPVTTD-KRWDZBQOSA-N -1 3 362.386 0.622 10 0 FCAEHM Cn1cc([C@@H](O)C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)cn1 ZINC000288226307 488958433 /nfs/dbraw/zinc/95/84/33/488958433.db2.gz RQFHRNQXHJGHBV-VIFPVBQESA-N -1 3 350.322 0.846 10 0 FCAEHM CCN(CC)C(=O)CN(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000023799677 487640398 /nfs/dbraw/zinc/64/03/98/487640398.db2.gz LNFZNQKMXBEQSA-LBPRGKRZSA-N -1 3 373.450 0.819 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCC2(CC1)OCCO2 ZINC000024995582 487655531 /nfs/dbraw/zinc/65/55/31/487655531.db2.gz QBHSRXHMKMZFMI-LBPRGKRZSA-N -1 3 372.418 0.858 10 0 FCAEHM Cc1nc(C)c(CC(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)c(=O)[n-]1 ZINC000031264700 487757414 /nfs/dbraw/zinc/75/74/14/487757414.db2.gz CIMSCOISRJPEIW-CQSZACIVSA-N -1 3 362.430 0.027 10 0 FCAEHM Cc1cc(C)c(CNC(=O)C[N-]S(=O)(=O)c2cccs2)c(=O)[nH]1 ZINC000032766802 487782934 /nfs/dbraw/zinc/78/29/34/487782934.db2.gz KEARRLBYSNPIFR-UHFFFAOYSA-N -1 3 355.441 0.648 10 0 FCAEHM CN(C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000044909378 487925596 /nfs/dbraw/zinc/92/55/96/487925596.db2.gz GOZCXAYBHBVWGW-GXTWGEPZSA-N -1 3 366.439 0.642 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CC[C@@H](n2cncn2)C1 ZINC000364507737 488966755 /nfs/dbraw/zinc/96/67/55/488966755.db2.gz IXLVMSGDBNJCLC-NWDGAFQWSA-N -1 3 367.406 0.558 10 0 FCAEHM COc1cc[n-]c(=NNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)n1 ZINC000052582020 488173203 /nfs/dbraw/zinc/17/32/03/488173203.db2.gz MFFSDRFVMVNUSV-LBPRGKRZSA-N -1 3 357.370 0.939 10 0 FCAEHM COC(=O)CC1(CS(=O)(=O)[N-][C@@H]2COc3ccccc3[C@H]2O)CC1 ZINC000288301379 488967806 /nfs/dbraw/zinc/96/78/06/488967806.db2.gz DEUXYLFEUWAUNC-IUODEOHRSA-N -1 3 355.412 0.744 10 0 FCAEHM O=C(CC[C@H]1NC(=O)[N-]C1=O)NCc1ccc(N2CCCCC2=O)cc1 ZINC000053351840 488197882 /nfs/dbraw/zinc/19/78/82/488197882.db2.gz PNYJFHFUZYWJNV-CQSZACIVSA-N -1 3 358.398 0.808 10 0 FCAEHM C[C@H](C(=O)NC1CC1)N1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000054323519 488222580 /nfs/dbraw/zinc/22/25/80/488222580.db2.gz URGGVXCQFMEDQE-CYBMUJFWSA-N -1 3 368.437 0.953 10 0 FCAEHM C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000063768063 488308636 /nfs/dbraw/zinc/30/86/36/488308636.db2.gz KPPAKYKTBYZCRG-VXGBXAGGSA-N -1 3 370.409 0.370 10 0 FCAEHM C[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F)C(=O)NC(C)(C)C ZINC000066923428 488340703 /nfs/dbraw/zinc/34/07/03/488340703.db2.gz TXGFXLSXEYRZEC-MNOVXSKESA-N -1 3 373.450 0.912 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@H]1C[C@H]1c1ccccc1 ZINC000067812363 488356054 /nfs/dbraw/zinc/35/60/54/488356054.db2.gz OARUQRYPZCTOOX-JQWIXIFHSA-N -1 3 364.199 0.971 10 0 FCAEHM COCCOC(=O)Nc1cccc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)c1 ZINC000067831906 488356493 /nfs/dbraw/zinc/35/64/93/488356493.db2.gz HHGWYSXTWBRNIP-NSHDSACASA-N -1 3 350.331 0.418 10 0 FCAEHM CCc1n[n-]c(S(=O)(=O)CC(=O)N2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000195053535 488435340 /nfs/dbraw/zinc/43/53/40/488435340.db2.gz LPTNSFTUALVWNP-MRVPVSSYSA-N -1 3 354.354 0.942 10 0 FCAEHM CCc1nnc(S(=O)(=O)CC(=O)N2CCC[C@@H](C(F)(F)F)C2)[n-]1 ZINC000195053535 488435342 /nfs/dbraw/zinc/43/53/42/488435342.db2.gz LPTNSFTUALVWNP-MRVPVSSYSA-N -1 3 354.354 0.942 10 0 FCAEHM CC(=O)N1CCN(C(=O)CCn2[n-]c(=O)c3ccccc3c2=O)[C@@H](C)C1 ZINC000268680705 488441463 /nfs/dbraw/zinc/44/14/63/488441463.db2.gz CMBYDKZNLNBUOC-LBPRGKRZSA-N -1 3 358.398 0.159 10 0 FCAEHM CCN1CCN(CC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)CC1 ZINC000081939636 488444974 /nfs/dbraw/zinc/44/49/74/488444974.db2.gz CHVDYZAWGYOTCQ-UHFFFAOYSA-N -1 3 360.458 0.314 10 0 FCAEHM CC(=O)N1CCN(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)[C@H](C)C1 ZINC000268757757 488447605 /nfs/dbraw/zinc/44/76/05/488447605.db2.gz PGKBRVDWIJMMAB-SNVBAGLBSA-N -1 3 357.407 0.890 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)ccc1F ZINC000084169429 488449808 /nfs/dbraw/zinc/44/98/08/488449808.db2.gz AORHDJFXWQHDHI-UHFFFAOYSA-N -1 3 367.402 0.969 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1Cc2cncnc2C1 ZINC000096369739 488491572 /nfs/dbraw/zinc/49/15/72/488491572.db2.gz KTRQTIOHPPUJFV-JTQLQIEISA-N -1 3 350.375 0.825 10 0 FCAEHM CCCn1nccc1NC(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000101641110 488495699 /nfs/dbraw/zinc/49/56/99/488495699.db2.gz HBQRSWLQSFKEJV-UHFFFAOYSA-N -1 3 354.436 0.642 10 0 FCAEHM C[C@]12C[C@@H]3C[C@](N[C@@H]4O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]4O)(C1)C[C@@](C)(C3)C2 ZINC000103579107 488502818 /nfs/dbraw/zinc/50/28/18/488502818.db2.gz HYFLKMZNQYTCMY-ILGSKIEFSA-N -1 3 355.431 0.217 10 0 in-vitro FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000253553251 488521395 /nfs/dbraw/zinc/52/13/95/488521395.db2.gz RFQXHDBSXNOHRR-GDPRMGEGSA-N -1 3 372.219 0.785 10 0 FCAEHM Cc1cnn(CCNC(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000117816316 488552401 /nfs/dbraw/zinc/55/24/01/488552401.db2.gz JYBUYOYAXZRAIE-UHFFFAOYSA-N -1 3 353.382 0.992 10 0 FCAEHM CCOC[C@H](C)CS(=O)(=O)[N-][C@@H](C[C@H]1CCCOC1)C(=O)OC ZINC000599456563 492175341 /nfs/dbraw/zinc/17/53/41/492175341.db2.gz NGUCNUZOHCMEJC-MJBXVCDLSA-N -1 3 351.465 0.937 10 0 FCAEHM CN(CC(=O)[O-])C[C@H]1CN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)CCO1 ZINC000262732189 488588439 /nfs/dbraw/zinc/58/84/39/488588439.db2.gz BDQAVGLKYWGKKI-ZFWWWQNUSA-N -1 3 368.817 0.887 10 0 FCAEHM C[C@@H](CO)N(C)C(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000126193851 488607485 /nfs/dbraw/zinc/60/74/85/488607485.db2.gz XHCKYSCCYHCRCF-ZETCQYMHSA-N -1 3 371.278 0.628 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)NC[C@H](CO)c1ccccc1 ZINC000127223584 488615336 /nfs/dbraw/zinc/61/53/36/488615336.db2.gz QJLMZHACACUFNV-OAHLLOKOSA-N -1 3 367.405 0.972 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000127936437 488621259 /nfs/dbraw/zinc/62/12/59/488621259.db2.gz YDNCAGOQFPYEHH-SECBINFHSA-N -1 3 354.769 0.726 10 0 FCAEHM COc1cc(F)c(S(=O)(=O)[N-]CCCN2CCOC2=O)cc1OC ZINC000263969506 488639707 /nfs/dbraw/zinc/63/97/07/488639707.db2.gz ATMFEYXPQYNMAX-UHFFFAOYSA-N -1 3 362.379 0.964 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000133076111 488657067 /nfs/dbraw/zinc/65/70/67/488657067.db2.gz NUPFTCBKPAPLOX-MNOVXSKESA-N -1 3 357.414 0.913 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCC[C@H](C)[S@](C)=O ZINC000134709335 488668306 /nfs/dbraw/zinc/66/83/06/488668306.db2.gz GHSLEOMTOYABGN-QDDONVENSA-N -1 3 352.503 0.688 10 0 FCAEHM C[C@H](CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)[S@](C)=O ZINC000134709355 488668367 /nfs/dbraw/zinc/66/83/67/488668367.db2.gz GHSLEOMTOYABGN-ZJNREGCTSA-N -1 3 352.503 0.688 10 0 FCAEHM C[C@@H](CCNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)[S@@](C)=O ZINC000134967699 488670184 /nfs/dbraw/zinc/67/01/84/488670184.db2.gz YTLYCPMMGOQTPA-FHZGZLOMSA-N -1 3 372.921 0.953 10 0 FCAEHM CN1CC[C@H](NC(=O)C[C@@H]2NC(=O)[N-]C2=O)[C@@H]1c1ccc(F)c(F)c1 ZINC000135248513 488671870 /nfs/dbraw/zinc/67/18/70/488671870.db2.gz QUQRIDMCGVUPJD-OBJOEFQTSA-N -1 3 352.341 0.424 10 0 FCAEHM C[C@@H](C1CC1)n1nccc1NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000151235984 488703156 /nfs/dbraw/zinc/70/31/56/488703156.db2.gz KGXALWWJNBJQPM-JTQLQIEISA-N -1 3 352.420 0.505 10 0 FCAEHM C[C@@H](O)C[C@H]1COCCN1C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000274391846 488703913 /nfs/dbraw/zinc/70/39/13/488703913.db2.gz SNVAYKHBXJEUCP-AGIUHOORSA-N -1 3 374.434 0.491 10 0 FCAEHM Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)CN3CC(=O)[N-]C3=O)C2)nc1 ZINC000264736039 488705292 /nfs/dbraw/zinc/70/52/92/488705292.db2.gz QSHPOWXMBOHUSN-LBPRGKRZSA-N -1 3 359.386 0.119 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000151478933 488705679 /nfs/dbraw/zinc/70/56/79/488705679.db2.gz CIJJBQYZOVJZNH-GFCCVEGCSA-N -1 3 352.420 0.175 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCCC[C@H]2c2cccn2C)c1 ZINC000151775323 488709735 /nfs/dbraw/zinc/70/97/35/488709735.db2.gz TVANBBKINLSQEH-AWEZNQCLSA-N -1 3 365.459 0.791 10 0 FCAEHM Cn1ccnc1[C@@H](NC(=O)CN1CC(=O)[N-]C1=O)c1ccc(Cl)cc1 ZINC000264815706 488715215 /nfs/dbraw/zinc/71/52/15/488715215.db2.gz GQXXZLHQBKZKPZ-AWEZNQCLSA-N -1 3 361.789 0.831 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNS(=O)(=O)CCCCOC)s1 ZINC000274591694 488721886 /nfs/dbraw/zinc/72/18/86/488721886.db2.gz BCRSUTUZEWKEAK-UHFFFAOYSA-N -1 3 356.491 0.502 10 0 FCAEHM CN1C[C@H]([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)CCC1=O ZINC000265622661 488721903 /nfs/dbraw/zinc/72/19/03/488721903.db2.gz ALOSSSGIKDNDDW-SNVBAGLBSA-N -1 3 355.391 0.610 10 0 FCAEHM O=C(NC[C@H](O)C(F)(F)F)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1 ZINC000274852530 488737848 /nfs/dbraw/zinc/73/78/48/488737848.db2.gz GGFHORCILHAILE-ZJUUUORDSA-N -1 3 360.292 0.482 10 0 FCAEHM C[C@@H](CNC(=O)C1CC2(C1)NC(=O)[N-]C2=O)N1CCc2ccccc2C1 ZINC000155067561 488750459 /nfs/dbraw/zinc/75/04/59/488750459.db2.gz MZVXBHGGFDUOBM-UUZUZFRQSA-N -1 3 356.426 0.538 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC[C@]1(O)CCSC1 ZINC000266986328 488750815 /nfs/dbraw/zinc/75/08/15/488750815.db2.gz HTHFUMWTJRHGPR-IINYFYTJSA-N -1 3 362.448 0.477 10 0 FCAEHM O=C(N[C@H]1CCCN(Cc2ccccc2)C1)C1CC2(C1)NC(=O)[N-]C2=O ZINC000155177665 488752322 /nfs/dbraw/zinc/75/23/22/488752322.db2.gz SGZPJNFAPQXTNZ-HVEKOLDVSA-N -1 3 356.426 0.755 10 0 FCAEHM C[C@H]1OCC[C@H]1S(=O)(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000275010079 488753063 /nfs/dbraw/zinc/75/30/63/488753063.db2.gz XYQNRPYYZHDELT-IUODEOHRSA-N -1 3 354.428 0.657 10 0 FCAEHM O=S(=O)([N-][C@H]1CCCOC1)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000554707835 491220336 /nfs/dbraw/zinc/22/03/36/491220336.db2.gz DUCVDHJGCQGHDU-ZDUSSCGKSA-N -1 3 374.484 0.928 10 0 FCAEHM CCN1CCC[C@H]([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)C1 ZINC000155699334 488757784 /nfs/dbraw/zinc/75/77/84/488757784.db2.gz MQELRWJECURNLR-NSHDSACASA-N -1 3 364.464 0.992 10 0 FCAEHM C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cn(C)c(=O)[n-]c1=O ZINC000275116670 488763295 /nfs/dbraw/zinc/76/32/95/488763295.db2.gz OJHHLNUFLNMBJJ-PWSUYJOCSA-N -1 3 366.418 0.861 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCc3sc(Cl)cc3C2)c1 ZINC000570163270 491221067 /nfs/dbraw/zinc/22/10/67/491221067.db2.gz GHZPBCFPLHMESJ-UHFFFAOYSA-N -1 3 374.875 0.998 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]C[C@H](O)CN2CCc3ccccc3C2)cn1C ZINC000158884257 488781837 /nfs/dbraw/zinc/78/18/37/488781837.db2.gz KDPGBFQWNRXBKB-INIZCTEOSA-N -1 3 364.471 0.426 10 0 FCAEHM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-][C@@H](C)[C@H](C)OC)c1 ZINC000276159794 488782947 /nfs/dbraw/zinc/78/29/47/488782947.db2.gz RHHYSAQHKOCRLR-UWVGGRQHSA-N -1 3 359.400 0.962 10 0 FCAEHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000267481343 488790101 /nfs/dbraw/zinc/79/01/01/488790101.db2.gz UFVBBLPOUMTDHI-GFCCVEGCSA-N -1 3 366.317 0.999 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCCCCN2CCOCC2)c(C)o1 ZINC000267601854 488803017 /nfs/dbraw/zinc/80/30/17/488803017.db2.gz TXPMDQCKTDEVBP-UHFFFAOYSA-N -1 3 359.448 0.338 10 0 FCAEHM CCOC(=O)[C@H](C)CNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000267680360 488811737 /nfs/dbraw/zinc/81/17/37/488811737.db2.gz BVMSUUSDLQOKOS-MNOVXSKESA-N -1 3 360.407 0.808 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCCCN2CCOC2=O)ccc1F ZINC000267756408 488817693 /nfs/dbraw/zinc/81/76/93/488817693.db2.gz QISCWEYYWILKPZ-UHFFFAOYSA-N -1 3 359.379 0.306 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)NCCc2ccsc2)cn1C ZINC000171248702 488821518 /nfs/dbraw/zinc/82/15/18/488821518.db2.gz QVRJGZWDORBZDL-UHFFFAOYSA-N -1 3 356.473 0.817 10 0 FCAEHM C[C@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1N)c1cccc(Br)c1 ZINC000174566837 488849780 /nfs/dbraw/zinc/84/97/80/488849780.db2.gz ODHBDJNTVYFXOG-LURJTMIESA-N -1 3 353.176 0.899 10 0 FCAEHM C[C@@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1N)c1cccc(Br)c1 ZINC000174566849 488849693 /nfs/dbraw/zinc/84/96/93/488849693.db2.gz ODHBDJNTVYFXOG-ZCFIWIBFSA-N -1 3 353.176 0.899 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCn3ncnc32)ccc1F ZINC000175706832 488855004 /nfs/dbraw/zinc/85/50/04/488855004.db2.gz LHRKNCNWEDDUJK-LLVKDONJSA-N -1 3 353.379 0.590 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](n3cncn3)C2)c(C)o1 ZINC000176000439 488857013 /nfs/dbraw/zinc/85/70/13/488857013.db2.gz QWVFQCXZPOTTJJ-NSHDSACASA-N -1 3 353.404 0.565 10 0 FCAEHM O=C([C@H]1COCCN1CC1CCC1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000329266341 488987427 /nfs/dbraw/zinc/98/74/27/488987427.db2.gz CSJLJNKMXDSNSP-DYVFJYSZSA-N -1 3 350.419 0.733 10 0 FCAEHM C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000364791095 489002427 /nfs/dbraw/zinc/00/24/27/489002427.db2.gz PWDMOUSMRBOGPD-PSVSLLHZSA-N -1 3 368.434 0.736 10 0 FCAEHM CNS(=O)(=O)c1cccc(NC(=O)[N-]OCCCC(=O)OC)c1C ZINC000288824516 489019554 /nfs/dbraw/zinc/01/95/54/489019554.db2.gz OGKKYFGZQFZWFZ-UHFFFAOYSA-N -1 3 359.404 0.909 10 0 FCAEHM Cc1ccc([C@@H](NC(=O)CN2CC(=O)[N-]C2=O)[C@H](C)S(C)(=O)=O)cc1 ZINC000280931299 489041677 /nfs/dbraw/zinc/04/16/77/489041677.db2.gz ILTUUFSMESUZMS-NHYWBVRUSA-N -1 3 367.427 0.137 10 0 FCAEHM C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)CC[C@@H]1NC(=O)[N-]C1=O ZINC000289120857 489043289 /nfs/dbraw/zinc/04/32/89/489043289.db2.gz FOPKGVMTFFLDAH-DCAQKATOSA-N -1 3 354.407 0.489 10 0 FCAEHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000289282353 489055594 /nfs/dbraw/zinc/05/55/94/489055594.db2.gz STJIUTXMOZXQNZ-INIZCTEOSA-N -1 3 368.411 0.800 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]CC(=O)NCC(F)(F)F ZINC000289293000 489056938 /nfs/dbraw/zinc/05/69/38/489056938.db2.gz HCBARSINEHHOST-UHFFFAOYSA-N -1 3 372.321 0.640 10 0 FCAEHM COc1ccccc1CNC(=O)[C@H](C)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000289393177 489064289 /nfs/dbraw/zinc/06/42/89/489064289.db2.gz KGPVHGFJNJMEGH-JSGCOSHPSA-N -1 3 359.430 0.991 10 0 FCAEHM CCOCc1nc([C@H](C)[N-]S(=O)(=O)c2c[nH]c(C(=O)OC)c2)no1 ZINC000289417807 489066039 /nfs/dbraw/zinc/06/60/39/489066039.db2.gz BPEJFXYSOLQQGS-QMMMGPOBSA-N -1 3 358.376 0.760 10 0 FCAEHM CNC(=O)c1cccc(NC(=O)[C@@H](C)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000289428790 489066732 /nfs/dbraw/zinc/06/67/32/489066732.db2.gz NJQVHKMGHKGASL-DGCLKSJQSA-N -1 3 372.429 0.664 10 0 FCAEHM CC(=O)Nc1ccc(NC(=O)CN2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)cc1 ZINC000289427472 489066975 /nfs/dbraw/zinc/06/69/75/489066975.db2.gz NFZBDBBUJNOCGN-GFCCVEGCSA-N -1 3 358.402 0.875 10 0 FCAEHM COc1ccc(CN(C)C(=O)CN2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)cc1 ZINC000289498241 489071941 /nfs/dbraw/zinc/07/19/41/489071941.db2.gz TXTIWFAHXBLYTL-CQSZACIVSA-N -1 3 359.430 0.945 10 0 FCAEHM CC(=O)N1CCCC[C@H]1CCS(=O)(=O)[N-][C@H]1CC(=O)N(C(C)C)C1=O ZINC000330182908 489077467 /nfs/dbraw/zinc/07/74/67/489077467.db2.gz HORPCGIKHIOZLL-KBPBESRZSA-N -1 3 373.475 0.233 10 0 FCAEHM Cc1cn2c(n1)CN(C(=O)C[N-]S(=O)(=O)c1c(C)noc1C)CC2 ZINC000365641422 489095499 /nfs/dbraw/zinc/09/54/99/489095499.db2.gz FVAQTYIFRALPIF-UHFFFAOYSA-N -1 3 353.404 0.117 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCOCC12CCCC2 ZINC000281695043 489098426 /nfs/dbraw/zinc/09/84/26/489098426.db2.gz DVYFIJHFFUPRKF-UHFFFAOYSA-N -1 3 374.484 0.928 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)Nc2ccc(N3CCC3=O)cc2)c1 ZINC000281758814 489103463 /nfs/dbraw/zinc/10/34/63/489103463.db2.gz PZKNBVXIOSDNCW-UHFFFAOYSA-N -1 3 363.399 0.074 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(CC)[C@@H]1CCNC1=O ZINC000282056488 489129041 /nfs/dbraw/zinc/12/90/41/489129041.db2.gz QCLZETIQLJUGKP-SNVBAGLBSA-N -1 3 367.427 0.909 10 0 FCAEHM O=C(c1ccnc(OCC(F)F)c1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000366089172 489143858 /nfs/dbraw/zinc/14/38/58/489143858.db2.gz WASXAZLEOQVCJM-HNNXBMFYSA-N -1 3 354.313 0.540 10 0 FCAEHM C[C@@H](C(=O)NC(=O)NC1CCCCC1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000366121867 489147762 /nfs/dbraw/zinc/14/77/62/489147762.db2.gz HHMKCDULTKFFDW-GTNSWQLSSA-N -1 3 365.434 0.207 10 0 FCAEHM O=C(C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O)c1cnn(-c2ccccc2)c1 ZINC000366143522 489150199 /nfs/dbraw/zinc/15/01/99/489150199.db2.gz KAFHNUATFMVEAY-SFHVURJKSA-N -1 3 367.365 0.256 10 0 FCAEHM CC(=O)N1CCN(C(=O)C[N-]S(=O)(=O)c2ccccc2F)[C@H](C)C1 ZINC000290598874 489151941 /nfs/dbraw/zinc/15/19/41/489151941.db2.gz VCMHZMHFVPTEQB-LLVKDONJSA-N -1 3 357.407 0.183 10 0 FCAEHM O=C1[N-]C(=O)[C@@]2(CCCN(S(=O)(=O)C3=Cc4ccccc4CC3)C2)N1 ZINC000366164506 489153388 /nfs/dbraw/zinc/15/33/88/489153388.db2.gz XLFVJABDNWBTKX-KRWDZBQOSA-N -1 3 361.423 0.978 10 0 FCAEHM CCC(=O)N1CC[C@H]([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)C1 ZINC000290809474 489166744 /nfs/dbraw/zinc/16/67/44/489166744.db2.gz SAUQUTGWJYAMJC-NSHDSACASA-N -1 3 358.416 0.972 10 0 FCAEHM NC(=O)[C@H]1CCCCC[C@@H]1NC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000555060319 491237051 /nfs/dbraw/zinc/23/70/51/491237051.db2.gz FSGLFSCXUGDPAG-QWRGUYRKSA-N -1 3 359.473 0.577 10 0 FCAEHM C[C@@H](CO)N(C)C(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000282795461 489190835 /nfs/dbraw/zinc/19/08/35/489190835.db2.gz MMSXRKOCXUSSBT-VIFPVBQESA-N -1 3 373.406 0.044 10 0 FCAEHM C[C@@]1([N-]S(=O)(=O)c2cnccc2C(F)(F)F)CCS(=O)(=O)C1 ZINC000331269666 489191748 /nfs/dbraw/zinc/19/17/48/489191748.db2.gz KARDOFIGXCZHTJ-SNVBAGLBSA-N -1 3 358.363 0.956 10 0 FCAEHM O=C(NCCCN1CCCC1=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC000282826913 489192827 /nfs/dbraw/zinc/19/28/27/489192827.db2.gz CZFVEBWXKQVOCJ-UHFFFAOYSA-N -1 3 374.372 0.616 10 0 FCAEHM O=C(NCCCN1CCCC1=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000282826913 489192830 /nfs/dbraw/zinc/19/28/30/489192830.db2.gz CZFVEBWXKQVOCJ-UHFFFAOYSA-N -1 3 374.372 0.616 10 0 FCAEHM O=C(NC1CC1)c1nn[n-]c1NC(=O)C1CCN(CC(F)(F)F)CC1 ZINC000297621884 489214639 /nfs/dbraw/zinc/21/46/39/489214639.db2.gz BITXFNYCGQRVFF-UHFFFAOYSA-N -1 3 360.340 0.910 10 0 FCAEHM O=C(NC1CC1)c1[n-]nnc1NC(=O)C1CCN(CC(F)(F)F)CC1 ZINC000297621884 489214642 /nfs/dbraw/zinc/21/46/42/489214642.db2.gz BITXFNYCGQRVFF-UHFFFAOYSA-N -1 3 360.340 0.910 10 0 FCAEHM O=C(NC1CC1)c1n[n-]nc1NC(=O)C1CCN(CC(F)(F)F)CC1 ZINC000297621884 489214645 /nfs/dbraw/zinc/21/46/45/489214645.db2.gz BITXFNYCGQRVFF-UHFFFAOYSA-N -1 3 360.340 0.910 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CC[C@@]2(C1)CCCOC2 ZINC000368226224 489217232 /nfs/dbraw/zinc/21/72/32/489217232.db2.gz MXYJIOWFCYPOFV-OAHLLOKOSA-N -1 3 357.432 0.599 10 0 FCAEHM O=C(CCNC(=O)OCC(F)(F)F)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000297769863 489237758 /nfs/dbraw/zinc/23/77/58/489237758.db2.gz PSBZFAALAMBOAF-UHFFFAOYSA-N -1 3 364.284 0.314 10 0 FCAEHM O=C(CCNC(=O)OCC(F)(F)F)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000297769863 489237761 /nfs/dbraw/zinc/23/77/61/489237761.db2.gz PSBZFAALAMBOAF-UHFFFAOYSA-N -1 3 364.284 0.314 10 0 FCAEHM O=C(CCNC(=O)OCC(F)(F)F)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000297769863 489237763 /nfs/dbraw/zinc/23/77/63/489237763.db2.gz PSBZFAALAMBOAF-UHFFFAOYSA-N -1 3 364.284 0.314 10 0 FCAEHM O=C1N[C@@H](CF)C(=O)N1CC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000348958389 489280339 /nfs/dbraw/zinc/28/03/39/489280339.db2.gz RHFGKPUHHNJYEA-VIFPVBQESA-N -1 3 367.761 0.647 10 0 FCAEHM CC1(C)CCCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ccnnc1 ZINC000349524361 489308104 /nfs/dbraw/zinc/30/81/04/489308104.db2.gz NASVZLYABAFXSW-UHFFFAOYSA-N -1 3 362.477 0.813 10 0 FCAEHM CC1(C)SC[C@@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1cn[nH]c1 ZINC000349540338 489311200 /nfs/dbraw/zinc/31/12/00/489311200.db2.gz YUWIJZDRKXVKSM-JTQLQIEISA-N -1 3 368.506 0.355 10 0 FCAEHM CNC(=O)C1CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)CC1 ZINC000298296677 489313200 /nfs/dbraw/zinc/31/32/00/489313200.db2.gz IIDJOEAJVXUADF-NSHDSACASA-N -1 3 371.434 0.477 10 0 FCAEHM O=c1[n-]c(=O)n(Cc2nc(C[C@@H]3CCCO3)no2)cc1Br ZINC000349830194 489331900 /nfs/dbraw/zinc/33/19/00/489331900.db2.gz VMAAZSTUIRGWSO-ZETCQYMHSA-N -1 3 357.164 0.864 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 ZINC000370236417 489332822 /nfs/dbraw/zinc/33/28/22/489332822.db2.gz QXYVGDBUNYSJEN-CYBMUJFWSA-N -1 3 370.409 0.681 10 0 FCAEHM CO[C@](C)(c1noc(CC[N-]S(=O)(=O)c2cn(C)c(C)n2)n1)C1CC1 ZINC000350433380 489339109 /nfs/dbraw/zinc/33/91/09/489339109.db2.gz OBSDRQQTWHKTJE-HNNXBMFYSA-N -1 3 369.447 0.904 10 0 FCAEHM COC(=O)[C@H](C)CS(=O)(=O)[N-]Cc1cn(-c2ccc(OC)cc2)nn1 ZINC000370403420 489355113 /nfs/dbraw/zinc/35/51/13/489355113.db2.gz ASHOJIWYISYQSA-LLVKDONJSA-N -1 3 368.415 0.504 10 0 FCAEHM C[C@@H](c1noc(CN2CC(=O)[N-]C2=O)n1)n1cc(Br)cn1 ZINC000351379284 489355670 /nfs/dbraw/zinc/35/56/70/489355670.db2.gz IFCKUGFVYDYGEY-LURJTMIESA-N -1 3 355.152 0.690 10 0 FCAEHM C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000298816627 489369092 /nfs/dbraw/zinc/36/90/92/489369092.db2.gz AQQVMKDMFRMUAQ-QWRGUYRKSA-N -1 3 353.423 0.965 10 0 FCAEHM C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000570583375 491251574 /nfs/dbraw/zinc/25/15/74/491251574.db2.gz FYWBKMAJELLSCR-SOUVJXGZSA-N -1 3 353.463 0.792 10 0 FCAEHM C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000570583372 491251620 /nfs/dbraw/zinc/25/16/20/491251620.db2.gz FYWBKMAJELLSCR-ILXRZTDVSA-N -1 3 353.463 0.792 10 0 FCAEHM COC(=O)[C@H]1CCN(C(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000299015349 489394821 /nfs/dbraw/zinc/39/48/21/489394821.db2.gz QSKMTIWHUYZHDQ-NSHDSACASA-N -1 3 357.366 0.692 10 0 FCAEHM C[C@H]1Oc2c(cccc2C(=O)N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)NC1=O ZINC000555532418 491252779 /nfs/dbraw/zinc/25/27/79/491252779.db2.gz RTYPIRCPOPBQBV-BXKDBHETSA-N -1 3 356.386 0.924 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)nc1=N ZINC000555533326 491252795 /nfs/dbraw/zinc/25/27/95/491252795.db2.gz GPVVPPMOHDQURI-WCQYABFASA-N -1 3 358.402 0.533 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCO[C@]2(CCCOC2)C1 ZINC000286539269 489402261 /nfs/dbraw/zinc/40/22/61/489402261.db2.gz YQLOIEVSEMCFQW-IUODEOHRSA-N -1 3 374.484 0.823 10 0 FCAEHM Cn1cc(C(=O)NCc2ccc(N3CCCCC3=O)cc2)c(=O)[n-]c1=O ZINC000299072406 489402444 /nfs/dbraw/zinc/40/24/44/489402444.db2.gz BVXVRKOWWCVKBW-UHFFFAOYSA-N -1 3 356.382 0.933 10 0 FCAEHM C[C@H](CS(C)(=O)=O)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000362984613 489409030 /nfs/dbraw/zinc/40/90/30/489409030.db2.gz SQOVRYCXRNPBKS-YPMHNXCESA-N -1 3 354.428 0.546 10 0 FCAEHM O=S(=O)([N-]CCN1CCCS1(=O)=O)c1cccnc1C(F)(F)F ZINC000286718373 489420472 /nfs/dbraw/zinc/42/04/72/489420472.db2.gz BNSNOBVULRDZLE-UHFFFAOYSA-N -1 3 373.378 0.414 10 0 FCAEHM C[C@H](CN1CCOCC1)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000363085729 489422132 /nfs/dbraw/zinc/42/21/32/489422132.db2.gz HRDQQDHXUOACSX-ZBFHGGJFSA-N -1 3 361.442 0.834 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)NCC1(O)Cc2ccccc2C1 ZINC000370940738 489431000 /nfs/dbraw/zinc/43/10/00/489431000.db2.gz CCWXROVVZFHYRG-UHFFFAOYSA-N -1 3 366.464 0.673 10 0 FCAEHM Cc1nc2n(n1)CCN(C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])C2 ZINC000371077839 489448612 /nfs/dbraw/zinc/44/86/12/489448612.db2.gz DYJZAQATPDTNKU-CQSZACIVSA-N -1 3 355.398 0.939 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)NCCCN2CCOC2=O)ccc1F ZINC000286999782 489450417 /nfs/dbraw/zinc/45/04/17/489450417.db2.gz DYSKHLMPIYVRSV-UHFFFAOYSA-N -1 3 374.394 0.698 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)ccc1F ZINC000363365687 489457661 /nfs/dbraw/zinc/45/76/61/489457661.db2.gz QEIDNIGLMCTYPP-IRUJWGPZSA-N -1 3 369.418 0.473 10 0 FCAEHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000363532772 489476365 /nfs/dbraw/zinc/47/63/65/489476365.db2.gz LDTOETQSQJMXMF-OPRDCNLKSA-N -1 3 358.441 0.822 10 0 FCAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@H](C(=O)NC)C(C)C ZINC000451331608 489499766 /nfs/dbraw/zinc/49/97/66/489499766.db2.gz FDBCSWANYHHBJM-WPRPVWTQSA-N -1 3 362.370 0.561 10 0 FCAEHM NC(=O)CCn1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])n1 ZINC000371793649 489509457 /nfs/dbraw/zinc/50/94/57/489509457.db2.gz ZMHKWKJWRLWBMH-ZDUSSCGKSA-N -1 3 371.397 0.707 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H]2CCCCN2CCO)oc1C ZINC000451666826 489515912 /nfs/dbraw/zinc/51/59/12/489515912.db2.gz IAMQKHVQIVOZPW-LBPRGKRZSA-N -1 3 360.432 0.500 10 0 FCAEHM COC(=O)[C@@H](C)CS(=O)(=O)[N-][C@H]1CCCN(c2ccccc2)C1=O ZINC000371948145 489527590 /nfs/dbraw/zinc/52/75/90/489527590.db2.gz NYDMWPKXYUYEAM-JSGCOSHPSA-N -1 3 354.428 0.911 10 0 FCAEHM CCc1ncc(C[N-]S(=O)(=O)c2ccc(S(=O)(=O)NC)cc2)o1 ZINC000451957804 489534353 /nfs/dbraw/zinc/53/43/53/489534353.db2.gz KJGSXHOGRLZHBU-UHFFFAOYSA-N -1 3 359.429 0.624 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@H](C)CN1CCOCC1 ZINC000563667330 491261875 /nfs/dbraw/zinc/26/18/75/491261875.db2.gz QUBLZSKJASCNQP-SNVBAGLBSA-N -1 3 360.432 0.682 10 0 FCAEHM C[C@]1(c2cccc(C(=O)N[C@@H]3CCC[C@H](C(N)=O)C3)c2)NC(=O)[N-]C1=O ZINC000426404324 489565644 /nfs/dbraw/zinc/56/56/44/489565644.db2.gz ZEWRTOLSRQFLGD-CRPGXEFLSA-N -1 3 358.398 0.515 10 0 FCAEHM COC[C@@](C)(O)CCNC(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000455243896 489588904 /nfs/dbraw/zinc/58/89/04/489588904.db2.gz UFSOPMGYEMIIGP-ZDUSSCGKSA-N -1 3 365.477 0.113 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N1CC[C@](O)(C(F)F)C1 ZINC000456124632 489607901 /nfs/dbraw/zinc/60/79/01/489607901.db2.gz ZOMFFFCEMIERNY-MRXNPFEDSA-N -1 3 353.325 0.721 10 0 FCAEHM O=S(=O)([N-]C[C@@H](O)Cn1ccnn1)c1ccccc1C(F)(F)F ZINC000416551436 489609363 /nfs/dbraw/zinc/60/93/63/489609363.db2.gz ANTKHAYGVDUADP-SECBINFHSA-N -1 3 350.322 0.636 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CO)c2ccnn2C)c(Cl)c1 ZINC000416557755 489609533 /nfs/dbraw/zinc/60/95/33/489609533.db2.gz ZYVLTNLNQJMINQ-NSHDSACASA-N -1 3 373.818 0.872 10 0 FCAEHM COCCOc1ccc(F)cc1S(=O)(=O)[N-]C1(C(=O)N(C)C)CC1 ZINC000416588390 489614606 /nfs/dbraw/zinc/61/46/06/489614606.db2.gz LTGOFDVTAPDDIR-UHFFFAOYSA-N -1 3 360.407 0.750 10 0 FCAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C1(C(=O)N(C)C)CC1 ZINC000416593692 489615686 /nfs/dbraw/zinc/61/56/86/489615686.db2.gz PPFCTGNOQLUKSG-QMMMGPOBSA-N -1 3 360.354 0.411 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1CCCC(F)(F)[C@H]1O ZINC000416622742 489618400 /nfs/dbraw/zinc/61/84/00/489618400.db2.gz LFICMYHIVBGQGF-SKDRFNHKSA-N -1 3 369.411 0.917 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)C(=O)NCc3ccc(F)cc3)cc2n(C)c1=O ZINC000427867753 489624946 /nfs/dbraw/zinc/62/49/46/489624946.db2.gz PJIGUOSEBHXMJS-UHFFFAOYSA-N -1 3 372.356 0.977 10 0 FCAEHM COC[C@@H]1CCCN(C(=O)CC[N-]S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000457092645 489634987 /nfs/dbraw/zinc/63/49/87/489634987.db2.gz SHVWRVFJJNVLCO-CQSZACIVSA-N -1 3 372.491 0.672 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CNCCC2(F)F)c(F)c1 ZINC000570841185 491268687 /nfs/dbraw/zinc/26/86/87/491268687.db2.gz CRTUYPLGRXKKRW-NSHDSACASA-N -1 3 352.334 0.888 10 0 FCAEHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1C[C@H](O)[C@H](CO)C1 ZINC000458046012 489667400 /nfs/dbraw/zinc/66/74/00/489667400.db2.gz WGKMTSBSRLZRDQ-SDBXPKJASA-N -1 3 367.199 0.716 10 0 FCAEHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@@H](O)Cc2cnn(C)c2)c1 ZINC000469429620 489707605 /nfs/dbraw/zinc/70/76/05/489707605.db2.gz GEUKTNOOYBFICW-AWEZNQCLSA-N -1 3 352.416 0.642 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(c3ncncc3C(=O)OC)CC2)n[n-]1 ZINC000376483014 489742391 /nfs/dbraw/zinc/74/23/91/489742391.db2.gz BROMOOOLJLTUJH-UHFFFAOYSA-N -1 3 360.374 0.942 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(c3ncncc3C(=O)OC)CC2)[n-]1 ZINC000376483014 489742394 /nfs/dbraw/zinc/74/23/94/489742394.db2.gz BROMOOOLJLTUJH-UHFFFAOYSA-N -1 3 360.374 0.942 10 0 FCAEHM CCOC(=O)c1n[n-]c(C2CCN(c3ncncc3C(=O)OC)CC2)n1 ZINC000376483014 489742400 /nfs/dbraw/zinc/74/24/00/489742400.db2.gz BROMOOOLJLTUJH-UHFFFAOYSA-N -1 3 360.374 0.942 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2C[C@H](C)O[C@@H](C)[C@@H]2C)cn1C ZINC000474342369 489756063 /nfs/dbraw/zinc/75/60/63/489756063.db2.gz UYBUZMYCFWKTBY-SRVKXCTJSA-N -1 3 358.464 0.421 10 0 FCAEHM NC(=O)[C@@H]1CCC[C@H](NC(=O)C[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000570979611 491278287 /nfs/dbraw/zinc/27/82/87/491278287.db2.gz DTWVIDWOTRVBET-MNOVXSKESA-N -1 3 357.407 0.264 10 0 FCAEHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(C2CC2)CC1 ZINC000490775443 489783680 /nfs/dbraw/zinc/78/36/80/489783680.db2.gz GLZGOFLZJUMQGY-UHFFFAOYSA-N -1 3 373.500 0.454 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCc1ccc(C(N)=O)o1 ZINC000474877901 489791860 /nfs/dbraw/zinc/79/18/60/489791860.db2.gz IYPFODLFMKQVAG-VIFPVBQESA-N -1 3 369.374 0.501 10 0 FCAEHM CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000571017403 491280329 /nfs/dbraw/zinc/28/03/29/491280329.db2.gz SIGZTKFPSLSKOT-DZGCQCFKSA-N -1 3 364.398 0.691 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NC[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC000491855269 489812445 /nfs/dbraw/zinc/81/24/45/489812445.db2.gz SPRJAHITNJOAPY-CABZTGNLSA-N -1 3 373.331 0.571 10 0 FCAEHM CNC(=O)CC(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000475406063 489823967 /nfs/dbraw/zinc/82/39/67/489823967.db2.gz ZZACDACKIFSOLV-UHFFFAOYSA-N -1 3 353.322 0.602 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC[C@]1(CCO)CCOC1 ZINC000475807921 489850086 /nfs/dbraw/zinc/85/00/86/489850086.db2.gz KERYGTZFSBNVKQ-LRDDRELGSA-N -1 3 374.434 0.398 10 0 FCAEHM C[C@H](CCNC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)[S@@](C)=O ZINC000493864357 489859384 /nfs/dbraw/zinc/85/93/84/489859384.db2.gz NRPOZTUKVIKWEQ-WPUKFBOLSA-N -1 3 351.428 0.628 10 0 FCAEHM CC(C)[C@](C)(CO)NC(=O)NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000460354198 489864451 /nfs/dbraw/zinc/86/44/51/489864451.db2.gz SRUFSVMJXBSUOZ-ROUUACIJSA-N -1 3 362.430 0.947 10 0 FCAEHM C[C@]1(c2ccc(CNC(=O)NCCc3cn[nH]c3)cc2)NC(=O)[N-]C1=O ZINC000460344443 489864511 /nfs/dbraw/zinc/86/45/11/489864511.db2.gz BDPNVDLQIUIFCK-QGZVFWFLSA-N -1 3 356.386 0.506 10 0 FCAEHM CCOC[C@H](C)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000494291494 489880344 /nfs/dbraw/zinc/88/03/44/489880344.db2.gz XBOLKPNGKOMNLR-VIFPVBQESA-N -1 3 354.425 0.901 10 0 FCAEHM NC(=O)c1coc(C[N-]S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)c1 ZINC000494296801 489881766 /nfs/dbraw/zinc/88/17/66/489881766.db2.gz YBMZDPNBXSVOLU-UHFFFAOYSA-N -1 3 363.395 0.749 10 0 FCAEHM CN(C)CC[C@](C)(O)CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000420019935 489881901 /nfs/dbraw/zinc/88/19/01/489881901.db2.gz RRLFYQDRARQDLL-INIZCTEOSA-N -1 3 373.475 0.075 10 0 FCAEHM CCc1ncc(S(=O)(=O)[N-]Cc2ccc(S(N)(=O)=O)cc2)s1 ZINC000460932423 489889641 /nfs/dbraw/zinc/88/96/41/489889641.db2.gz DQUGBUXXFQNYIG-UHFFFAOYSA-N -1 3 361.470 0.831 10 0 FCAEHM CC(C)[C@@H](NS(C)(=O)=O)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000476480712 489893439 /nfs/dbraw/zinc/89/34/39/489893439.db2.gz APALBFNPIRTHDR-CYBMUJFWSA-N -1 3 352.420 0.303 10 0 FCAEHM CC(C)[C@@H](NS(C)(=O)=O)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000476480712 489893442 /nfs/dbraw/zinc/89/34/42/489893442.db2.gz APALBFNPIRTHDR-CYBMUJFWSA-N -1 3 352.420 0.303 10 0 FCAEHM CN(Cc1cc[nH]n1)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000433633143 489893880 /nfs/dbraw/zinc/89/38/80/489893880.db2.gz DQLPKVWLLYXKIO-UHFFFAOYSA-N -1 3 362.408 0.741 10 0 FCAEHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC(=O)[C@H](C)C1 ZINC000433863920 489902858 /nfs/dbraw/zinc/90/28/58/489902858.db2.gz UGSSNHMMNHEPPF-LLVKDONJSA-N -1 3 360.457 0.584 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@]2(C(N)=O)CCOC2)c(Cl)c1 ZINC000571105451 491286225 /nfs/dbraw/zinc/28/62/25/491286225.db2.gz GOGJJACQRNSPSS-ZDUSSCGKSA-N -1 3 362.791 0.049 10 0 FCAEHM Cc1nc(CN(C)C(=O)Cn2cc(Br)c(=O)[n-]c2=O)no1 ZINC000476738548 489913193 /nfs/dbraw/zinc/91/31/93/489913193.db2.gz WKVVCZJSIGBCOM-UHFFFAOYSA-N -1 3 358.152 0.061 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)c3cncc(-n4ccnn4)c3)cc2n(C)c1=O ZINC000461620287 489923179 /nfs/dbraw/zinc/92/31/79/489923179.db2.gz OLDHKEOGUNXWDF-UHFFFAOYSA-N -1 3 365.353 0.811 10 0 FCAEHM Cc1cc(C)n2nc(C(=O)Nc3cc4c(cc3[O-])n(C)c(=O)n4C)nc2n1 ZINC000461628048 489923912 /nfs/dbraw/zinc/92/39/12/489923912.db2.gz GTTFXSHAXWYVIJ-UHFFFAOYSA-N -1 3 367.369 0.889 10 0 FCAEHM COc1cc(N2CCN(C(=O)Cc3c(C)nc(C)[n-]c3=O)CC2)ncn1 ZINC000461726689 489930976 /nfs/dbraw/zinc/93/09/76/489930976.db2.gz NAGPXSJAAQPHNX-UHFFFAOYSA-N -1 3 358.402 0.489 10 0 FCAEHM COC(=O)[C@@H](C[C@H]1CCCc2ccccc21)NC(=O)CN1CC(=O)[N-]C1=O ZINC000461751434 489932782 /nfs/dbraw/zinc/93/27/82/489932782.db2.gz ZAZMLGSNPIRYBQ-UKRRQHHQSA-N -1 3 373.409 0.706 10 0 FCAEHM C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CCS1(=O)=O ZINC000377788425 489958408 /nfs/dbraw/zinc/95/84/08/489958408.db2.gz YFACTUPIMWRIMA-OCCSQVGLSA-N -1 3 366.439 0.642 10 0 FCAEHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(CC)[C@H]1CCOC1 ZINC000462284221 489966276 /nfs/dbraw/zinc/96/62/76/489966276.db2.gz SNRZMDHROMJZGC-LBPRGKRZSA-N -1 3 362.473 0.784 10 0 FCAEHM COc1cc(CC2CN(C(=O)c3cn(C)c(=O)[n-]c3=O)C2)cc(OC)c1 ZINC000378035197 489998882 /nfs/dbraw/zinc/99/88/82/489998882.db2.gz AIMHFJNPJBUCRZ-UHFFFAOYSA-N -1 3 359.382 0.818 10 0 FCAEHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-][C@H]1CCN(C2CCOCC2)C1=O ZINC000420663895 490005009 /nfs/dbraw/zinc/00/50/09/490005009.db2.gz DRZNEDMOABZTCK-GJZGRUSLSA-N -1 3 362.492 0.747 10 0 FCAEHM Cc1nc(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c(=O)[nH]c1C ZINC000436735657 490011997 /nfs/dbraw/zinc/01/19/97/490011997.db2.gz MFJMHRJJRHXSFA-UHFFFAOYSA-N -1 3 356.382 0.691 10 0 FCAEHM COCC[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])C(=O)OC ZINC000436827766 490013729 /nfs/dbraw/zinc/01/37/29/490013729.db2.gz GEAOVMDAQYWWAP-UONOGXRCSA-N -1 3 364.398 0.691 10 0 FCAEHM NC(=O)[C@@H]1CCC[C@@H](NC(=O)NCC[N-]S(=O)(=O)c2cccs2)C1 ZINC000437448824 490023131 /nfs/dbraw/zinc/02/31/31/490023131.db2.gz HFPYVWDRCMULGX-GHMZBOCLSA-N -1 3 374.488 0.370 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)N2CC[C@@H](O)C2(C)C)ccc1F ZINC000463973740 490034974 /nfs/dbraw/zinc/03/49/74/490034974.db2.gz UGSUFPTYLDKMAF-GFCCVEGCSA-N -1 3 373.406 0.044 10 0 FCAEHM Cn1cc([N-]C(=O)c2c(Cl)cccc2S(C)(=O)=O)c(=O)n(C)c1=O ZINC000464054587 490039137 /nfs/dbraw/zinc/03/91/37/490039137.db2.gz GWKYIGDIWVCZMP-UHFFFAOYSA-N -1 3 371.802 0.393 10 0 FCAEHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1ccn(CCC(N)=O)n1)c2=O ZINC000439464352 490040595 /nfs/dbraw/zinc/04/05/95/490040595.db2.gz QPJPDTNSPHVGNH-UHFFFAOYSA-N -1 3 355.354 0.861 10 0 FCAEHM COc1ccc2c(c1)ncc(C(=O)Nc1ccn(CCC(N)=O)n1)c2[O-] ZINC000439464352 490040597 /nfs/dbraw/zinc/04/05/97/490040597.db2.gz QPJPDTNSPHVGNH-UHFFFAOYSA-N -1 3 355.354 0.861 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000378308468 490045407 /nfs/dbraw/zinc/04/54/07/490045407.db2.gz CYQMGIJTGLTQRY-LLVKDONJSA-N -1 3 368.752 0.252 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000378330854 490050665 /nfs/dbraw/zinc/05/06/65/490050665.db2.gz BZIHCROQNRMPMO-LBPRGKRZSA-N -1 3 369.324 0.740 10 0 FCAEHM COC[C@H]1CCN1S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1CC1 ZINC000571263439 491296351 /nfs/dbraw/zinc/29/63/51/491296351.db2.gz NIEZSWJXSNDGPY-GFCCVEGCSA-N -1 3 360.457 0.537 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-][C@H](CO)c2c(F)cccc2F)C[C@@H](C)O1 ZINC000443274624 490068854 /nfs/dbraw/zinc/06/88/54/490068854.db2.gz OBUIXLMZLSNBSF-GIPNMCIBSA-N -1 3 350.387 0.942 10 0 FCAEHM COC(=O)[C@@H]([N-]S(=O)(=O)C1CN(C(=O)c2ccccc2)C1)C(C)C ZINC000378542551 490086144 /nfs/dbraw/zinc/08/61/44/490086144.db2.gz UXUQEZCCQMRFSR-AWEZNQCLSA-N -1 3 354.428 0.628 10 0 FCAEHM COC(=O)[C@@H]1CCN(C(=O)c2cc(C3CC3)nc3c2c(=O)[n-]c(=O)n3C)C1 ZINC000520180421 490115632 /nfs/dbraw/zinc/11/56/32/490115632.db2.gz XPXRXCPPXZYZCN-SNVBAGLBSA-N -1 3 372.381 0.547 10 0 FCAEHM C[C@H]1CCCN1S(=O)(=O)Nc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000545313660 490115786 /nfs/dbraw/zinc/11/57/86/490115786.db2.gz WRJJBDUEEVEJQK-BONVTDFDSA-N -1 3 352.416 0.882 10 0 FCAEHM CNC(=O)[C@@H]1CCN(C(=O)CC[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000421941003 490117018 /nfs/dbraw/zinc/11/70/18/490117018.db2.gz BIQHGYAYNGTHLV-LLVKDONJSA-N -1 3 357.407 0.089 10 0 FCAEHM CNC(=O)[C@@H]1CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000421946155 490117317 /nfs/dbraw/zinc/11/73/17/490117317.db2.gz HXJWBOYGIITQOJ-WDEREUQCSA-N -1 3 357.407 0.087 10 0 FCAEHM CS(=O)(=O)N1CCC(CNC(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000532805793 490120091 /nfs/dbraw/zinc/12/00/91/490120091.db2.gz QPBGRFGARQPCHN-UHFFFAOYSA-N -1 3 363.439 0.930 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@]2(CCO)CCOC2)cc1F ZINC000445038989 490120354 /nfs/dbraw/zinc/12/03/54/490120354.db2.gz ARUUDCQGIDJMCF-HNNXBMFYSA-N -1 3 361.391 0.680 10 0 FCAEHM NC(=O)C[C@H]1CCCCN1C(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000497292401 490143501 /nfs/dbraw/zinc/14/35/01/490143501.db2.gz AAZSIXOVZDHTNV-LLVKDONJSA-N -1 3 359.473 0.673 10 0 FCAEHM COC(=O)CCCCNC(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2C ZINC000520633717 490173354 /nfs/dbraw/zinc/17/33/54/490173354.db2.gz ZAKGTQHBGLSYGV-UHFFFAOYSA-N -1 3 374.397 0.985 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC000564408708 491305343 /nfs/dbraw/zinc/30/53/43/491305343.db2.gz AOFYFIGDGVVITN-SFHVURJKSA-N -1 3 355.398 0.904 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@](C)(c2noc(C)n2)C2CC2)cn1 ZINC000497616782 490183816 /nfs/dbraw/zinc/18/38/16/490183816.db2.gz LCJMFHODRFMYDV-HNNXBMFYSA-N -1 3 365.415 0.736 10 0 FCAEHM C[C@@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1ccc(NC(=O)NC2CC2)cc1 ZINC000480404704 490187594 /nfs/dbraw/zinc/18/75/94/490187594.db2.gz MCWZOUOEKVFZQP-RNCFNFMXSA-N -1 3 359.386 0.746 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]Cc2nc([C@H]3CCO[C@@H](C)C3)no2)cn1C ZINC000546509770 490216481 /nfs/dbraw/zinc/21/64/81/490216481.db2.gz RANNWVXMAGDVQK-ONGXEEELSA-N -1 3 355.420 0.873 10 0 FCAEHM O=C(c1ccccc1)N1CCC[C@H]1C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000408033582 490219958 /nfs/dbraw/zinc/21/99/58/490219958.db2.gz OALQKYZBBHSZRF-UONOGXRCSA-N -1 3 356.382 0.054 10 0 FCAEHM O=C1NCCN1CCS(=O)(=O)c1nnc([N-]c2ccccc2)s1 ZINC000571480698 491311118 /nfs/dbraw/zinc/31/11/18/491311118.db2.gz WDUSSCWYNKUKMG-UHFFFAOYSA-N -1 3 353.429 1.081 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1 ZINC000533414910 490231343 /nfs/dbraw/zinc/23/13/43/490231343.db2.gz DDFBZLCDHJKJNL-ZDUSSCGKSA-N -1 3 369.443 0.185 10 0 FCAEHM CO[C@H]1CN(C(=O)CC[N-]S(=O)(=O)c2cn(C)c(C)n2)CC[C@H]1C ZINC000467049763 490243176 /nfs/dbraw/zinc/24/31/76/490243176.db2.gz WWZRBWQQDPEFCG-YPMHNXCESA-N -1 3 358.464 0.280 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC[C@H]([C@H]3CCOC3)C2)cn1C ZINC000533503682 490245860 /nfs/dbraw/zinc/24/58/60/490245860.db2.gz CVLLZZIPVPHCHJ-KBPBESRZSA-N -1 3 370.475 0.282 10 0 FCAEHM CCn1cncc1S(=O)(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000533551981 490253468 /nfs/dbraw/zinc/25/34/68/490253468.db2.gz WIDIXPUFWMWMSC-UHFFFAOYSA-N -1 3 364.427 0.755 10 0 FCAEHM Cn1cc(-n2cc(C(=O)Nc3cc(-c4nccn4C)[n-]n3)ccc2=O)cn1 ZINC000546901813 490258224 /nfs/dbraw/zinc/25/82/24/490258224.db2.gz HSWQDDFAHBEHOZ-UHFFFAOYSA-N -1 3 364.369 0.947 10 0 FCAEHM Cn1cc(-n2cc(C(=O)Nc3cc(-c4nccn4C)n[n-]3)ccc2=O)cn1 ZINC000546901813 490258227 /nfs/dbraw/zinc/25/82/27/490258227.db2.gz HSWQDDFAHBEHOZ-UHFFFAOYSA-N -1 3 364.369 0.947 10 0 FCAEHM COc1ccc(C(=O)[N-]c2ncn(Cc3ncc(C)c(OC)c3C)n2)nn1 ZINC000447709613 490260922 /nfs/dbraw/zinc/26/09/22/490260922.db2.gz XWJMUACOJFLKLN-UHFFFAOYSA-N -1 3 369.385 1.398 10 0 FCAEHM CCS(=O)(=O)[N-]Cc1nc(-c2ccnc(N3CCOCC3)c2)no1 ZINC000547116648 490268426 /nfs/dbraw/zinc/26/84/26/490268426.db2.gz VULGELSNGUSZEJ-UHFFFAOYSA-N -1 3 353.404 0.408 10 0 FCAEHM CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000447756414 490268628 /nfs/dbraw/zinc/26/86/28/490268628.db2.gz WGGWNIQZUHYRLK-UGSOOPFHSA-N -1 3 373.413 0.037 10 0 FCAEHM CCOCCOc1ccccc1C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000447759680 490269634 /nfs/dbraw/zinc/26/96/34/490269634.db2.gz UKNKFPZPQHBUBA-SFHVURJKSA-N -1 3 361.398 0.916 10 0 FCAEHM CCC[C@@H](C)[C@@H](CO)NC(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000571530688 491313878 /nfs/dbraw/zinc/31/38/78/491313878.db2.gz WMSNIBRGWRQAAZ-DGCLKSJQSA-N -1 3 360.480 0.310 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)cc1 ZINC000408248388 490287776 /nfs/dbraw/zinc/28/77/76/490287776.db2.gz UTMZMSFCWGJOSZ-MRXNPFEDSA-N -1 3 351.428 0.800 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNS(=O)(=O)N2CCC[C@H]2C)s1 ZINC000408291571 490298106 /nfs/dbraw/zinc/29/81/06/490298106.db2.gz ZDNRIDYTUJDNGY-SECBINFHSA-N -1 3 353.491 0.475 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)NC[C@H]2C[C@@H]2C)s1 ZINC000467519236 490305609 /nfs/dbraw/zinc/30/56/09/490305609.db2.gz AYWWARHPLLDYEP-GXSJLCMTSA-N -1 3 359.473 0.435 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)NC[C@H](O)C(F)(F)F ZINC000467639264 490324985 /nfs/dbraw/zinc/32/49/85/490324985.db2.gz VGDFGUJVFGOLRK-JTQLQIEISA-N -1 3 358.313 0.534 10 0 FCAEHM C[C@@H]1CCN(C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)C[C@H]1C(=O)[O-] ZINC000564655847 491318907 /nfs/dbraw/zinc/31/89/07/491318907.db2.gz MRZGLSZKZGUNLW-ZIAGYGMSSA-N -1 3 353.463 0.888 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc(C(=O)OC)cc2)cn1 ZINC000547775580 490354192 /nfs/dbraw/zinc/35/41/92/490354192.db2.gz HNYIUKKYKBIAPH-UHFFFAOYSA-N -1 3 363.395 0.706 10 0 FCAEHM C[C@]1(c2ccc(C(=O)N3CCSC[C@H]3CCO)cc2)NC(=O)[N-]C1=O ZINC000534344507 490357413 /nfs/dbraw/zinc/35/74/13/490357413.db2.gz BTXXYQWLFNLLQB-CXAGYDPISA-N -1 3 363.439 0.681 10 0 FCAEHM O=C(Cc1ccc([O-])c(F)c1)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000448591535 490365669 /nfs/dbraw/zinc/36/56/69/490365669.db2.gz XVVFJJKVDNHSAW-UHFFFAOYSA-N -1 3 365.405 0.077 10 0 FCAEHM O=C(NC1CC1)c1nn[n-]c1NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000411102701 490388765 /nfs/dbraw/zinc/38/87/65/490388765.db2.gz DDFXHCWGTZYEAN-JTQLQIEISA-N -1 3 358.333 0.901 10 0 FCAEHM O=C(NC1CC1)c1[n-]nnc1NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000411102701 490388772 /nfs/dbraw/zinc/38/87/72/490388772.db2.gz DDFXHCWGTZYEAN-JTQLQIEISA-N -1 3 358.333 0.901 10 0 FCAEHM O=C(NC1CC1)c1n[n-]nc1NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000411102701 490388781 /nfs/dbraw/zinc/38/87/81/490388781.db2.gz DDFXHCWGTZYEAN-JTQLQIEISA-N -1 3 358.333 0.901 10 0 FCAEHM CC(=O)N[C@@H](CC(=O)Nc1[n-]nnc1C(=O)NC1CC1)c1ccccc1 ZINC000411102140 490389545 /nfs/dbraw/zinc/38/95/45/490389545.db2.gz AXZSOQDULMTSDZ-ZDUSSCGKSA-N -1 3 356.386 0.903 10 0 FCAEHM CC(=O)N[C@@H](CC(=O)Nc1nn[n-]c1C(=O)NC1CC1)c1ccccc1 ZINC000411102140 490389548 /nfs/dbraw/zinc/38/95/48/490389548.db2.gz AXZSOQDULMTSDZ-ZDUSSCGKSA-N -1 3 356.386 0.903 10 0 FCAEHM CC(=O)N[C@@H](CC(=O)Nc1n[n-]nc1C(=O)NC1CC1)c1ccccc1 ZINC000411102140 490389551 /nfs/dbraw/zinc/38/95/51/490389551.db2.gz AXZSOQDULMTSDZ-ZDUSSCGKSA-N -1 3 356.386 0.903 10 0 FCAEHM CCCc1nc(=NC(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)s[n-]1 ZINC000411175565 490401397 /nfs/dbraw/zinc/40/13/97/490401397.db2.gz DFBJDTNCFOXPKJ-LBPRGKRZSA-N -1 3 351.476 0.938 10 0 FCAEHM CCn1c(=O)[n-]c(=O)c2c(C(=O)N3C[C@H](O)C4(CC4)C3)cc(C3CC3)nc21 ZINC000547981419 490401996 /nfs/dbraw/zinc/40/19/96/490401996.db2.gz BCOCVVNTQAZXIQ-ZDUSSCGKSA-N -1 3 370.409 0.991 10 0 FCAEHM CS[C@@H](CO)[C@H](C)[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000534741606 490405380 /nfs/dbraw/zinc/40/53/80/490405380.db2.gz DWSJCLANQNBLEZ-UWVGGRQHSA-N -1 3 353.487 0.481 10 0 FCAEHM CN([C@@H]1CCOC1)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1CC1 ZINC000548042423 490412647 /nfs/dbraw/zinc/41/26/47/490412647.db2.gz KQERYTPNWUQOTE-GFCCVEGCSA-N -1 3 360.457 0.537 10 0 FCAEHM CC(C)OC(=O)[C@@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000522869982 490415044 /nfs/dbraw/zinc/41/50/44/490415044.db2.gz RQHCIJFWNHSIBD-NSHDSACASA-N -1 3 360.457 0.969 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCC(=O)Nc1ccc(Br)cc1 ZINC000535001816 490433284 /nfs/dbraw/zinc/43/32/84/490433284.db2.gz RNOWMGQIATZKAS-VIFPVBQESA-N -1 3 369.175 0.102 10 0 FCAEHM CCOC[C@H](C)NC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000499669687 490444380 /nfs/dbraw/zinc/44/43/80/490444380.db2.gz OBNFXIQGZURMOJ-VIFPVBQESA-N -1 3 361.395 0.214 10 0 FCAEHM Cc1ccc(Cl)c(NC(=O)C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)c1C ZINC000411414516 490452905 /nfs/dbraw/zinc/45/29/05/490452905.db2.gz AUZWYUXTKKZYCY-NSHDSACASA-N -1 3 364.789 0.658 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C(=O)OC)c2ccn(C)n2)c(C)o1 ZINC000468837674 490454116 /nfs/dbraw/zinc/45/41/16/490454116.db2.gz FWLUSJPXGGOJMR-GFCCVEGCSA-N -1 3 371.371 0.301 10 0 FCAEHM COC(=O)C1([N-]S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CCSCC1 ZINC000548294128 490458242 /nfs/dbraw/zinc/45/82/42/490458242.db2.gz QGDBAIVMTPXUQA-PHIMTYICSA-N -1 3 352.478 0.369 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C[C@H](O)COc2ccc3c(c2)OCO3)nc1=N ZINC000450907900 490497470 /nfs/dbraw/zinc/49/74/70/490497470.db2.gz GSHWBSYLFNANAN-AAEUAGOBSA-N -1 3 361.402 0.533 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)N[C@H]2CCOC[C@H]2C)ccc1F ZINC000500358863 490508550 /nfs/dbraw/zinc/50/85/50/490508550.db2.gz KDBJXQLROUIWRG-SKDRFNHKSA-N -1 3 373.406 0.214 10 0 FCAEHM COC(=O)CCS(=O)(=O)[N-]c1cccc(S(=O)(=O)N(C)C)c1C ZINC000451114965 490515693 /nfs/dbraw/zinc/51/56/93/490515693.db2.gz NRMKQWRMHYDPKI-UHFFFAOYSA-N -1 3 364.445 0.550 10 0 FCAEHM Cc1cnc(N)c(S(=O)(=O)N2CCC[C@H]2C[C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000510488458 490521289 /nfs/dbraw/zinc/52/12/89/490521289.db2.gz KKLODROCIATUEJ-BONVTDFDSA-N -1 3 367.431 0.114 10 0 FCAEHM CN(c1nncs1)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1CC1 ZINC000548698061 490531621 /nfs/dbraw/zinc/53/16/21/490531621.db2.gz HKSDWEWTAZINQN-UHFFFAOYSA-N -1 3 374.469 0.804 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-][C@@H](Cc2ccc(Cl)cc2)C(N)=O)c1 ZINC000510705713 490536318 /nfs/dbraw/zinc/53/63/18/490536318.db2.gz WPAQYKMBTLIAQH-LBPRGKRZSA-N -1 3 356.835 0.931 10 0 FCAEHM Cc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)n[nH]1 ZINC000511002121 490555204 /nfs/dbraw/zinc/55/52/04/490555204.db2.gz LRPUGDYIEOBKTH-MRVPVSSYSA-N -1 3 356.429 0.482 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NCC(=O)NC(C)C ZINC000511093253 490561456 /nfs/dbraw/zinc/56/14/56/490561456.db2.gz VQDRATQJPUPVKG-UHFFFAOYSA-N -1 3 357.414 0.714 10 0 FCAEHM CNC(=O)CNC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000511094228 490561792 /nfs/dbraw/zinc/56/17/92/490561792.db2.gz WFGHRYGNAQZKRY-UHFFFAOYSA-N -1 3 357.413 0.295 10 0 FCAEHM Cc1cc(CS(=O)(=O)[N-]C[C@H](Cc2ccc(F)cc2)C(N)=O)on1 ZINC000485883674 490566852 /nfs/dbraw/zinc/56/68/52/490566852.db2.gz PVPZWMYGBRTWQH-LBPRGKRZSA-N -1 3 355.391 0.886 10 0 FCAEHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@@]1(C(=O)OC)CCOC1 ZINC000486006593 490581903 /nfs/dbraw/zinc/58/19/03/490581903.db2.gz XYVYWSISTLNOPO-AWEZNQCLSA-N -1 3 361.372 0.239 10 0 FCAEHM O=C(Cc1coc(-c2ccc(F)cc2)n1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000536543192 490588943 /nfs/dbraw/zinc/58/89/43/490588943.db2.gz UCFKCMDAXOHBHC-CYBMUJFWSA-N -1 3 358.329 0.786 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N(Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000549572490 490589863 /nfs/dbraw/zinc/58/98/63/490589863.db2.gz UZTLSNHKKUWVKC-AWEZNQCLSA-N -1 3 354.370 0.356 10 0 FCAEHM CN(C)c1nc(C(=O)N2CCC[C@@H](c3nnc4n3CCC4)C2)cc(=O)[n-]1 ZINC000549707463 490594526 /nfs/dbraw/zinc/59/45/26/490594526.db2.gz KOWYPTBJYJVTCR-LLVKDONJSA-N -1 3 357.418 0.806 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)c2cn(Cc3ccccc3)nn2)nc1=N ZINC000549723940 490596246 /nfs/dbraw/zinc/59/62/46/490596246.db2.gz GYUFQWONJMTUEL-AWEZNQCLSA-N -1 3 352.402 0.845 10 0 FCAEHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(CCO)[C@H]1CCO[C@H]1C ZINC000501467583 490606595 /nfs/dbraw/zinc/60/65/95/490606595.db2.gz ALAHORAUIOUMGK-QWRGUYRKSA-N -1 3 370.427 0.780 10 0 FCAEHM Cc1ncc(S(=O)(=O)[N-]C[C@@H]2CCCCN2S(C)(=O)=O)s1 ZINC000556827893 491339548 /nfs/dbraw/zinc/33/95/48/491339548.db2.gz SLZNQWSMCBYTJQ-JTQLQIEISA-N -1 3 353.491 0.544 10 0 FCAEHM NC(=O)c1ccc(NC(=O)CC[N-]S(=O)(=O)c2ccccc2F)cn1 ZINC000501516350 490611162 /nfs/dbraw/zinc/61/11/62/490611162.db2.gz CXQYMBITXKDPGY-UHFFFAOYSA-N -1 3 366.374 0.627 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)Nc2ccc(=O)n(C)c2)s1 ZINC000525735555 490627967 /nfs/dbraw/zinc/62/79/67/490627967.db2.gz QOVIRDLUNRIDTL-UHFFFAOYSA-N -1 3 356.429 0.677 10 0 FCAEHM CC[C@@](C)([N-]S(=O)(=O)C1CN(C(=O)c2ccccc2)C1)C(=O)OC ZINC000501858793 490646784 /nfs/dbraw/zinc/64/67/84/490646784.db2.gz JMPUCZLQSNQAOY-MRXNPFEDSA-N -1 3 354.428 0.772 10 0 FCAEHM O=S(=O)(CC[N-]S(=O)(=O)c1cnccc1C(F)(F)F)NC1CC1 ZINC000525953790 490658099 /nfs/dbraw/zinc/65/80/99/490658099.db2.gz BMQNXLGYQBBEGI-UHFFFAOYSA-N -1 3 373.378 0.461 10 0 FCAEHM COC(=O)c1cc(C(=O)Nc2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)no1 ZINC000537212458 490661099 /nfs/dbraw/zinc/66/10/99/490661099.db2.gz HJKNYJXSAYFFJX-INIZCTEOSA-N -1 3 358.310 0.768 10 0 FCAEHM O=C(NCc1nnc(C(F)(F)F)[n-]1)N1CCN(CC(F)(F)F)C(=O)C1 ZINC000502143266 490681809 /nfs/dbraw/zinc/68/18/09/490681809.db2.gz UIMJCBALAALOCO-UHFFFAOYSA-N -1 3 374.245 0.740 10 0 FCAEHM O=C(NCc1n[n-]c(C(F)(F)F)n1)N1CCN(CC(F)(F)F)C(=O)C1 ZINC000502143266 490681811 /nfs/dbraw/zinc/68/18/11/490681811.db2.gz UIMJCBALAALOCO-UHFFFAOYSA-N -1 3 374.245 0.740 10 0 FCAEHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCN(CC(F)(F)F)C(=O)C1 ZINC000502143266 490681813 /nfs/dbraw/zinc/68/18/13/490681813.db2.gz UIMJCBALAALOCO-UHFFFAOYSA-N -1 3 374.245 0.740 10 0 FCAEHM COCc1nc([C@H]2COCCN2C(=O)c2cc(F)cc3[n-]nnc32)no1 ZINC000502825739 490723217 /nfs/dbraw/zinc/72/32/17/490723217.db2.gz RDTIUCISIDXZIO-LLVKDONJSA-N -1 3 362.321 0.840 10 0 FCAEHM COCc1nc([C@H]2COCCN2C(=O)c2cc(F)cc3nn[n-]c32)no1 ZINC000502825739 490723218 /nfs/dbraw/zinc/72/32/18/490723218.db2.gz RDTIUCISIDXZIO-LLVKDONJSA-N -1 3 362.321 0.840 10 0 FCAEHM COCc1nc([C@H]2COCCN2C(=O)c2cc(F)cc3n[n-]nc32)no1 ZINC000502825739 490723219 /nfs/dbraw/zinc/72/32/19/490723219.db2.gz RDTIUCISIDXZIO-LLVKDONJSA-N -1 3 362.321 0.840 10 0 FCAEHM O=C(CNC(=O)c1ccsc1)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1 ZINC000538822306 490751397 /nfs/dbraw/zinc/75/13/97/490751397.db2.gz OYMOALMCBRWRPG-CYBMUJFWSA-N -1 3 372.406 0.867 10 0 FCAEHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC000527794834 490760195 /nfs/dbraw/zinc/76/01/95/490760195.db2.gz AAIVWZMSCFIRQM-NSHDSACASA-N -1 3 365.415 0.938 10 0 FCAEHM CC(=O)N1CC[C@H](CNC(=O)CC[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000565099688 491353637 /nfs/dbraw/zinc/35/36/37/491353637.db2.gz MYODCGFKTXGNNA-CYBMUJFWSA-N -1 3 371.434 0.479 10 0 FCAEHM CN(C)c1nccc(N2CCN(C(=O)c3cc(F)cc4[n-]nnc43)CC2)n1 ZINC000503636087 490768060 /nfs/dbraw/zinc/76/80/60/490768060.db2.gz YBPLYGKFJPXODO-UHFFFAOYSA-N -1 3 370.392 0.915 10 0 FCAEHM CN(C)c1nccc(N2CCN(C(=O)c3cc(F)cc4nn[n-]c43)CC2)n1 ZINC000503636087 490768064 /nfs/dbraw/zinc/76/80/64/490768064.db2.gz YBPLYGKFJPXODO-UHFFFAOYSA-N -1 3 370.392 0.915 10 0 FCAEHM CSc1ccc(CNC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)cc1 ZINC000503658714 490769743 /nfs/dbraw/zinc/76/97/43/490769743.db2.gz LUZKTGYNIZQFQP-UHFFFAOYSA-N -1 3 354.457 0.737 10 0 FCAEHM CCn1ncc(C[N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)n1 ZINC000528445123 490798176 /nfs/dbraw/zinc/79/81/76/490798176.db2.gz BOIXPQVZYLIAMG-UHFFFAOYSA-N -1 3 356.429 0.106 10 0 FCAEHM CCn1ncc(C[N-]S(=O)(=O)c2cc3c(cc2OC)NC(=O)CO3)n1 ZINC000528445764 490798390 /nfs/dbraw/zinc/79/83/90/490798390.db2.gz IWEQNTXTLJUWKN-UHFFFAOYSA-N -1 3 367.387 0.116 10 0 FCAEHM CCn1ncc(C[N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)n1 ZINC000528446667 490798414 /nfs/dbraw/zinc/79/84/14/490798414.db2.gz PLVOBRRLZQYMCF-UHFFFAOYSA-N -1 3 361.427 0.612 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@]1(CO)COCC2(CCC2)N1C ZINC000528481436 490801770 /nfs/dbraw/zinc/80/17/70/490801770.db2.gz PNXNBOGESBQBDM-HNNXBMFYSA-N -1 3 359.448 0.186 10 0 FCAEHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]C[C@H](O)[C@@H]2CCCO2)cc1F ZINC000528494795 490803718 /nfs/dbraw/zinc/80/37/18/490803718.db2.gz XTFVIFGHWMDBKY-RYUDHWBXSA-N -1 3 367.420 0.047 10 0 FCAEHM Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)c1C ZINC000540208939 490809732 /nfs/dbraw/zinc/80/97/32/490809732.db2.gz GDGBRXXSBHIEIG-LBPRGKRZSA-N -1 3 368.415 0.090 10 0 FCAEHM COc1cnccc1CNC(=O)C[N-]S(=O)(=O)c1c(C)noc1C ZINC000565211252 491360723 /nfs/dbraw/zinc/36/07/23/491360723.db2.gz ADVZSRCKAPVSKO-UHFFFAOYSA-N -1 3 354.388 0.290 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)NC[C@H](O)[C@@H]2CCCO2)ccc1F ZINC000529093411 490840518 /nfs/dbraw/zinc/84/05/18/490840518.db2.gz NFGFVSCWQJBHLT-RYUDHWBXSA-N -1 3 361.395 0.395 10 0 FCAEHM Cc1ccc(-c2nnn(CC(=O)N3CCC[C@H]3c3nc(=N)n(C)[n-]3)n2)cc1 ZINC000515855577 490841314 /nfs/dbraw/zinc/84/13/14/490841314.db2.gz GPWOASHGXXUHRI-ZDUSSCGKSA-N -1 3 367.417 0.553 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)c2ccc(Cn3ccnn3)cc2)nc1=N ZINC000529264923 490846865 /nfs/dbraw/zinc/84/68/65/490846865.db2.gz IORMUOLUHAKJCO-AWEZNQCLSA-N -1 3 352.402 0.845 10 0 FCAEHM Cc1ccccc1C(=O)NCC(=O)N1CCC[C@@H]1C[C@]1(C)NC(=O)[N-]C1=O ZINC000516202063 490856707 /nfs/dbraw/zinc/85/67/07/490856707.db2.gz KKPINWZPVSZDMR-YJYMSZOUSA-N -1 3 372.425 0.704 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000541458006 490863122 /nfs/dbraw/zinc/86/31/22/490863122.db2.gz VHVHISWNYMBWBY-NSHDSACASA-N -1 3 361.333 0.523 10 0 FCAEHM NC(=O)c1[nH]nc2ccc([N-]S(=O)(=O)CCOCC(F)(F)F)cc21 ZINC000516610487 490870913 /nfs/dbraw/zinc/87/09/13/490870913.db2.gz TXACWPUSHRWAFK-UHFFFAOYSA-N -1 3 366.321 0.982 10 0 FCAEHM CC(=O)c1ccc(C(=O)NC[C@]2(CO)COCC3(CCC3)N2C)cc1[O-] ZINC000529749536 490871895 /nfs/dbraw/zinc/87/18/95/490871895.db2.gz AJLMOYCYIUAHGD-IBGZPJMESA-N -1 3 362.426 0.940 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)CO[C@@H](C)c2nccn2C)s1 ZINC000516752970 490876237 /nfs/dbraw/zinc/87/62/37/490876237.db2.gz CKYRJYACCYPHSG-JTQLQIEISA-N -1 3 372.472 0.784 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000529919251 490883386 /nfs/dbraw/zinc/88/33/86/490883386.db2.gz OONUTSVMSZWOOI-ZJUUUORDSA-N -1 3 368.752 0.299 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-][C@H](C2CCOCC2)C2(CO)CCC2)cn1C ZINC000516966163 490887818 /nfs/dbraw/zinc/88/78/18/490887818.db2.gz DKXRRYZDOVTLEC-OAHLLOKOSA-N -1 3 357.476 0.965 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CC(Cc2ccco2)C1 ZINC000530275823 490897218 /nfs/dbraw/zinc/89/72/18/490897218.db2.gz YTCRDKCMVLBMDP-UHFFFAOYSA-N -1 3 353.400 0.864 10 0 FCAEHM COC(=O)c1ccc(N2CCN(C(=O)CN3CC(=O)[N-]C3=O)[C@H](C)C2)cc1 ZINC000517716194 490917840 /nfs/dbraw/zinc/91/78/40/490917840.db2.gz GSWZZJVQAJKGQX-GFCCVEGCSA-N -1 3 374.397 0.062 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cnn2c1OCCC2)c1ccccc1 ZINC000518134738 490931240 /nfs/dbraw/zinc/93/12/40/490931240.db2.gz JIBARVYSGQCKDM-UHFFFAOYSA-N -1 3 350.400 0.374 10 0 FCAEHM CCN(Cc1cn(C)nn1)C(=O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000543831086 490948984 /nfs/dbraw/zinc/94/89/84/490948984.db2.gz IPBVDDIZAJJKFM-UHFFFAOYSA-N -1 3 369.422 0.671 10 0 FCAEHM Cn1cc(C(N)=O)cc1C(=O)Nc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000531261694 490949013 /nfs/dbraw/zinc/94/90/13/490949013.db2.gz XANJIFQPCQZTRN-QGZVFWFLSA-N -1 3 355.354 0.431 10 0 FCAEHM C[C@@H](CN1CCOCC1)C(=O)Nc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000544027462 490955750 /nfs/dbraw/zinc/95/57/50/490955750.db2.gz WYVOWFSIFPYESQ-KPZWWZAWSA-N -1 3 360.414 0.648 10 0 FCAEHM Cc1nnc(CN2CCN(C(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)CC2)[nH]1 ZINC000544048974 490956189 /nfs/dbraw/zinc/95/61/89/490956189.db2.gz GHSCFCWQNSCSDD-UHFFFAOYSA-N -1 3 369.385 0.346 10 0 FCAEHM CCOC(=O)[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000544183419 490960673 /nfs/dbraw/zinc/96/06/73/490960673.db2.gz GSHZDEMHPNOABL-GHMZBOCLSA-N -1 3 363.457 0.956 10 0 FCAEHM C[C@H](C[N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C)CN1CCN(C)CC1 ZINC000519528460 490974437 /nfs/dbraw/zinc/97/44/37/490974437.db2.gz PAAGNLZFSFUZSD-CABCVRRESA-N -1 3 369.535 0.942 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)cn1C ZINC000544656630 490974654 /nfs/dbraw/zinc/97/46/54/490974654.db2.gz SNCJGTZZSZBUSB-OLZOCXBDSA-N -1 3 372.491 0.262 10 0 FCAEHM O=C1CN(Cc2nc(-c3ccc(N4CCOCC4)c(F)c3)no2)C(=O)[N-]1 ZINC000545003591 490987032 /nfs/dbraw/zinc/98/70/32/490987032.db2.gz MEEAVFLRUXVXMN-UHFFFAOYSA-N -1 3 361.333 0.764 10 0 FCAEHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)CC2(C(=O)OC)CC2)[C@@H]1n1cccn1 ZINC000601422959 491917379 /nfs/dbraw/zinc/91/73/79/491917379.db2.gz CGRBUTYQMVRVHL-XQQFMLRXSA-N -1 3 357.432 0.474 10 0 FCAEHM CCc1ccc([O-])c(C(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c1 ZINC000554154681 491180632 /nfs/dbraw/zinc/18/06/32/491180632.db2.gz OESGRIQUAVDTSI-CYBMUJFWSA-N -1 3 355.460 0.955 10 0 FCAEHM CC[C@H]([N-]S(=O)(=O)c1cnn(C2CCOCC2)c1)[C@@H](O)C(F)F ZINC000565548813 491383923 /nfs/dbraw/zinc/38/39/23/491383923.db2.gz IQYGYLFWIBDILX-NWDGAFQWSA-N -1 3 353.391 0.918 10 0 FCAEHM CC[C@H]([N-]S(=O)(=O)c1cnn(C2CCOCC2)c1)[C@H](O)C(F)F ZINC000565548814 491384067 /nfs/dbraw/zinc/38/40/67/491384067.db2.gz IQYGYLFWIBDILX-RYUDHWBXSA-N -1 3 353.391 0.918 10 0 FCAEHM C[C@H](CNC(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1)N1CCC(C)CC1 ZINC000572643100 491384218 /nfs/dbraw/zinc/38/42/18/491384218.db2.gz JLYQUELNKKJDLQ-RRFJBIMHSA-N -1 3 353.463 0.792 10 0 FCAEHM COc1ccc(C(=O)N2CCC[C@H]2c2nc(=N)n(C)[n-]2)cc1OCCO ZINC000565779693 491398866 /nfs/dbraw/zinc/39/88/66/491398866.db2.gz TURQCMGSPYRUMW-LBPRGKRZSA-N -1 3 361.402 0.585 10 0 FCAEHM COC(C)(C)CS(=O)(=O)[N-][C@H]1CCCN(Cc2nccn2C)C1=O ZINC000572922643 491401735 /nfs/dbraw/zinc/40/17/35/491401735.db2.gz VTJVKVFUVOOFNS-LBPRGKRZSA-N -1 3 358.464 0.256 10 0 FCAEHM CC[C@@H]1CCN1C(=O)C[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000558161994 491417231 /nfs/dbraw/zinc/41/72/31/491417231.db2.gz DJXZYAZHRFGCNN-LLVKDONJSA-N -1 3 359.473 0.673 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)CNC(=O)c2cccc(Cl)c2)nc1=N ZINC000558400987 491429119 /nfs/dbraw/zinc/42/91/19/491429119.db2.gz KIWSCQVVISTHJY-LBPRGKRZSA-N -1 3 362.821 0.975 10 0 FCAEHM CC(=O)N(CCc1ccccc1)CC(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1 ZINC000559256627 491458602 /nfs/dbraw/zinc/45/86/02/491458602.db2.gz DUHCOSVRHCZIFX-INIZCTEOSA-N -1 3 370.457 0.982 10 0 FCAEHM CCO[C@@H]1C[C@H](NC(=O)CNC(=O)c2ccc([O-])cc2)[C@H]1n1cccn1 ZINC000567073661 491484404 /nfs/dbraw/zinc/48/44/04/491484404.db2.gz XAXKJXXQKGQRRD-ZMSDIMECSA-N -1 3 358.398 0.853 10 0 FCAEHM CC(C)(CNC(=O)c1cc(=O)[n-]c(C2CC2)n1)N1CCS(=O)CC1 ZINC000574337457 491489668 /nfs/dbraw/zinc/48/96/68/491489668.db2.gz HFAZSMPXPDXHKA-UHFFFAOYSA-N -1 3 352.460 0.632 10 0 FCAEHM Cc1ccc(-c2cc(C(=O)Nc3nc(C)n(C)c3C(=O)NCCO)n[n-]2)o1 ZINC000683368703 493347230 /nfs/dbraw/zinc/34/72/30/493347230.db2.gz KCJLSHIBUZXUFI-UHFFFAOYSA-N -1 3 372.385 0.994 10 0 FCAEHM Cc1ccc(-c2cc(C(=O)Nc3nc(C)n(C)c3C(=O)NCCO)[n-]n2)o1 ZINC000683368703 493347231 /nfs/dbraw/zinc/34/72/31/493347231.db2.gz KCJLSHIBUZXUFI-UHFFFAOYSA-N -1 3 372.385 0.994 10 0 FCAEHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-][C@@H]3CCN(S(C)(=O)=O)C3)cn21 ZINC000567507464 491510818 /nfs/dbraw/zinc/51/08/18/491510818.db2.gz DEGMDIFLAUSEIW-GHMZBOCLSA-N -1 3 362.477 0.093 10 0 FCAEHM C[C@H]1CCCc2nc(S(=O)(=O)[N-][C@H]3CCN(S(C)(=O)=O)C3)cn21 ZINC000567507466 491511049 /nfs/dbraw/zinc/51/10/49/491511049.db2.gz DEGMDIFLAUSEIW-QWRGUYRKSA-N -1 3 362.477 0.093 10 0 FCAEHM COCC1(CCNC(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)[N-]C2=O)CC1 ZINC000567765931 491528095 /nfs/dbraw/zinc/52/80/95/491528095.db2.gz DQXQUOHQNWDDNJ-WBMJQRKESA-N -1 3 352.435 0.965 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000567914730 491541205 /nfs/dbraw/zinc/54/12/05/491541205.db2.gz KDRJQIAKZNYQJV-PHIMTYICSA-N -1 3 359.398 0.596 10 0 FCAEHM COC(=O)[C@H]1CSCCN(C(=O)CNC(=O)c2ccc([O-])cc2)C1 ZINC000575230241 491547025 /nfs/dbraw/zinc/54/70/25/491547025.db2.gz JLEMWZYJAQAVHW-GFCCVEGCSA-N -1 3 352.412 0.487 10 0 FCAEHM Cc1nc(C)c(CCC(=O)NC[C@H]2CCCCN2S(C)(=O)=O)c(=O)[n-]1 ZINC000560780024 491557135 /nfs/dbraw/zinc/55/71/35/491557135.db2.gz BROIBJBXSIDYJI-CYBMUJFWSA-N -1 3 370.475 0.662 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)NC[C@H]2CCO[C@H](C(C)C)C2)cn1C ZINC000575755078 491558898 /nfs/dbraw/zinc/55/88/98/491558898.db2.gz RXKBBOCQVGTYPV-KBPBESRZSA-N -1 3 372.491 0.574 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)c2cc(C(N)=O)cn2C)ccc1F ZINC000561001793 491569274 /nfs/dbraw/zinc/56/92/74/491569274.db2.gz CCUHHTSKHODJHQ-UHFFFAOYSA-N -1 3 354.363 0.424 10 0 FCAEHM Cc1nc2ccccc2c(=O)n1CC(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1 ZINC000568401498 491574966 /nfs/dbraw/zinc/57/49/66/491574966.db2.gz SJWNDODSQINHDA-AWEZNQCLSA-N -1 3 367.413 0.610 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)N1CC[C@H](OC(F)F)C1 ZINC000568702398 491602016 /nfs/dbraw/zinc/60/20/16/491602016.db2.gz HXRDMIBUQQMBEQ-VIFPVBQESA-N -1 3 352.334 0.944 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-]C[C@H](CO)c2cccnc2)oc1C ZINC000561557871 491617051 /nfs/dbraw/zinc/61/70/51/491617051.db2.gz CQGMSEPQYJIRLH-GFCCVEGCSA-N -1 3 354.384 0.824 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)N2CCn3nncc3C2)ccc1F ZINC000576526350 491622230 /nfs/dbraw/zinc/62/22/30/491622230.db2.gz DAPFRCSGBXMZSN-UHFFFAOYSA-N -1 3 354.367 0.373 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1C[C@@H]2CCCCN2C1=O ZINC000576568018 491625533 /nfs/dbraw/zinc/62/55/33/491625533.db2.gz CUIALJHWRMTKDR-NWDGAFQWSA-N -1 3 372.468 0.522 10 0 FCAEHM CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC000561845883 491633859 /nfs/dbraw/zinc/63/38/59/491633859.db2.gz FPNFJRDAFDJKLT-OAHLLOKOSA-N -1 3 355.398 0.917 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N[C@H](CO)c1ccsc1 ZINC000569130709 491636118 /nfs/dbraw/zinc/63/61/18/491636118.db2.gz PPZUIDQSKYLGNS-LLVKDONJSA-N -1 3 359.429 0.481 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N1CCO[C@@H](C(=O)C2CC2)C1 ZINC000577653821 491640837 /nfs/dbraw/zinc/64/08/37/491640837.db2.gz SQZKCPCUAKKCFC-OAHLLOKOSA-N -1 3 371.393 0.699 10 0 FCAEHM C[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)C[C@H]1C(=O)[O-] ZINC000576876074 491652827 /nfs/dbraw/zinc/65/28/27/491652827.db2.gz PEJPEDHDHOKIGR-ZIAGYGMSSA-N -1 3 353.463 0.936 10 0 FCAEHM CN(C)c1ncc(NC(=O)C[N-]S(=O)(=O)c2ccccc2F)cn1 ZINC000562175647 491657827 /nfs/dbraw/zinc/65/78/27/491657827.db2.gz IAQQTKKSRRKIDJ-UHFFFAOYSA-N -1 3 353.379 0.599 10 0 FCAEHM C[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2ccccc2F)[C@H](C)CN1CCO ZINC000576946891 491658918 /nfs/dbraw/zinc/65/89/18/491658918.db2.gz YINHJHBRGQGHJN-CHWSQXEVSA-N -1 3 373.450 0.018 10 0 FCAEHM CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000578132437 491670606 /nfs/dbraw/zinc/67/06/06/491670606.db2.gz FLIKHCCKCBLIDJ-KFWWJZLASA-N -1 3 353.463 0.936 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@@H]2COCC[C@H]21 ZINC000578287250 491673963 /nfs/dbraw/zinc/67/39/63/491673963.db2.gz UFSPSCVPGBIWDB-CHWSQXEVSA-N -1 3 374.484 0.784 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N[C@H]2[C@@H]3CCC[C@@H]32)s1 ZINC000578593425 491680467 /nfs/dbraw/zinc/68/04/67/491680467.db2.gz LYIURGNDLDTWTL-JYAVWHMHSA-N -1 3 371.484 0.577 10 0 FCAEHM Cc1cc(CS(=O)(=O)[N-]C[C@@H]2CS(=O)(=O)c3ccccc3O2)no1 ZINC000578985117 491688347 /nfs/dbraw/zinc/68/83/47/491688347.db2.gz RHRWMXQJIHUUCR-GFCCVEGCSA-N -1 3 372.424 0.637 10 0 FCAEHM C[C@](O)(CO)CNC(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000579379793 491696924 /nfs/dbraw/zinc/69/69/24/491696924.db2.gz JWBIDFBDPOFBLP-CQSZACIVSA-N -1 3 360.288 0.900 10 0 FCAEHM COCCN(Cc1ccnn1C)C(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000579417531 491697550 /nfs/dbraw/zinc/69/75/50/491697550.db2.gz JZNWSUMXXGSYGB-UHFFFAOYSA-N -1 3 372.472 0.435 10 0 FCAEHM COc1cc(CC(=O)N2CCC[C@H]2c2nc(=N)n(C)[n-]2)cc(OC)c1O ZINC000579527231 491699810 /nfs/dbraw/zinc/69/98/10/491699810.db2.gz KQBULHUFQADMGR-NSHDSACASA-N -1 3 361.402 0.857 10 0 FCAEHM Cn1cc([C@@H](NC(=O)CNC(=O)c2cccc([O-])c2)C2(CO)CCC2)cn1 ZINC000584795823 491714906 /nfs/dbraw/zinc/71/49/06/491714906.db2.gz BCKVOOXNRXDMTO-QGZVFWFLSA-N -1 3 372.425 0.876 10 0 FCAEHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000580345059 491727346 /nfs/dbraw/zinc/72/73/46/491727346.db2.gz VIKCANRCZUAKPT-UHFFFAOYSA-N -1 3 366.443 0.746 10 0 FCAEHM CCn1ncnc1C[N-]S(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000580685599 491741594 /nfs/dbraw/zinc/74/15/94/491741594.db2.gz GDYDUPGGPBXLIX-UHFFFAOYSA-N -1 3 356.429 0.106 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(C(=O)C3(C(=O)N(C)C)CC3)CC2)n[n-]1 ZINC000588722211 491747300 /nfs/dbraw/zinc/74/73/00/491747300.db2.gz LQVKGMJNRFDZAY-UHFFFAOYSA-N -1 3 363.418 0.556 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(C(=O)C3(C(=O)N(C)C)CC3)CC2)[n-]1 ZINC000588722211 491747301 /nfs/dbraw/zinc/74/73/01/491747301.db2.gz LQVKGMJNRFDZAY-UHFFFAOYSA-N -1 3 363.418 0.556 10 0 FCAEHM COC(=O)c1sc2[n-]c(CN3C[C@@H]4COC[C@H](C3)O4)nc(=O)c2c1C ZINC000580999174 491754978 /nfs/dbraw/zinc/75/49/78/491754978.db2.gz GPYZTIHXDHNDKN-AOOOYVTPSA-N -1 3 365.411 0.679 10 0 FCAEHM C[C@@H]1CCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2N)C[C@@H]1C(=O)OC(C)(C)C ZINC000581075969 491758311 /nfs/dbraw/zinc/75/83/11/491758311.db2.gz WEMFKSGYRQJDGA-BDAKNGLRSA-N -1 3 352.391 0.910 10 0 FCAEHM NC(=O)[C@@H](CNC(=O)CNC(=O)c1ccc([O-])cc1)Cc1ccc(F)cc1 ZINC000589691085 491765210 /nfs/dbraw/zinc/76/52/10/491765210.db2.gz TVMAKMIKXKRBTK-CQSZACIVSA-N -1 3 373.384 0.722 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)NCc3ccc(Cl)o3)cnc21 ZINC000590791795 491786641 /nfs/dbraw/zinc/78/66/41/491786641.db2.gz USCSOUMTZHIWBM-UHFFFAOYSA-N -1 3 370.774 0.759 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCN1CCOC[C@H]1C ZINC000591228578 491799556 /nfs/dbraw/zinc/79/95/56/491799556.db2.gz YGOHVJWPLYIMPX-OLZOCXBDSA-N -1 3 373.450 0.329 10 0 FCAEHM COC(=O)C[C@@]1([N-]S(=O)(=O)c2coc(C(=O)N(C)C)c2C)CCOC1 ZINC000592047131 491829526 /nfs/dbraw/zinc/82/95/26/491829526.db2.gz LGMRXHNSBJKDFD-HNNXBMFYSA-N -1 3 374.415 0.290 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C(=O)OC)c2ccnn2C)c(C)o1 ZINC000592091311 491831599 /nfs/dbraw/zinc/83/15/99/491831599.db2.gz IOAJIGZSWMWZFX-LBPRGKRZSA-N -1 3 371.371 0.301 10 0 FCAEHM CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000583092812 491837789 /nfs/dbraw/zinc/83/77/89/491837789.db2.gz ADCSZYWRWASRSN-QWRGUYRKSA-N -1 3 354.432 0.507 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)CCOc2ccc(C(N)=O)cc2)nc1=N ZINC000584045274 491857166 /nfs/dbraw/zinc/85/71/66/491857166.db2.gz HLZNBZRFYYMBAE-ZDUSSCGKSA-N -1 3 358.402 0.459 10 0 FCAEHM COC(=O)c1nscc1S(=O)(=O)[N-][C@@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000594851039 491866950 /nfs/dbraw/zinc/86/69/50/491866950.db2.gz ZCUXQALVJHFMKF-HTQZYQBOSA-N -1 3 368.458 0.174 10 0 FCAEHM COC(=O)c1occc1C[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000594860114 491867350 /nfs/dbraw/zinc/86/73/50/491867350.db2.gz LJFABXSGOGWEQJ-LLVKDONJSA-N -1 3 355.372 0.703 10 0 FCAEHM COC(=O)[C@](C)(CCF)[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000594862559 491867786 /nfs/dbraw/zinc/86/77/86/491867786.db2.gz MLJCJQFNEWLNGS-ZDUSSCGKSA-N -1 3 366.436 0.954 10 0 FCAEHM CC(=O)c1ccc(C(=O)N2CCN(c3nccn(C)c3=O)CC2)cc1[O-] ZINC000611733114 491871189 /nfs/dbraw/zinc/87/11/89/491871189.db2.gz SEDWBNIWCDRJLW-UHFFFAOYSA-N -1 3 356.382 0.651 10 0 FCAEHM O=C(CC1CCN(C(=O)CN2CC(=O)[N-]C2=O)CC1)NC1CCCC1 ZINC000600968818 491890850 /nfs/dbraw/zinc/89/08/50/491890850.db2.gz HIAUUFWJQFLDIZ-UHFFFAOYSA-N -1 3 350.419 0.226 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NCc1ccc(NC(=O)c2cccnc2)cc1 ZINC000600979050 491891398 /nfs/dbraw/zinc/89/13/98/491891398.db2.gz IFIJFTQWHHRFDD-UHFFFAOYSA-N -1 3 367.365 0.502 10 0 FCAEHM COC(=O)C[C@@](C)([N-]S(=O)(=O)C[C@@H]1CN(C)CCO1)c1ccccn1 ZINC000601395297 491912581 /nfs/dbraw/zinc/91/25/81/491912581.db2.gz BIPPNNNHWBPRQN-XJKSGUPXSA-N -1 3 371.459 0.110 10 0 FCAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]Cc1cc(OC)no1 ZINC000595345481 491922228 /nfs/dbraw/zinc/92/22/28/491922228.db2.gz QASDBGFBBHFFPI-QMMMGPOBSA-N -1 3 360.310 0.987 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2[C@H]2CCN(CC(=O)OC(C)(C)C)C2=O)nc1=N ZINC000595470438 491933693 /nfs/dbraw/zinc/93/36/93/491933693.db2.gz NWVLDIYEGCQMTP-NEPJUHHUSA-N -1 3 364.450 0.307 10 0 FCAEHM C[C@@H](NC(=O)c1cnc2n1CCOC2)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614824599 492057884 /nfs/dbraw/zinc/05/78/84/492057884.db2.gz WBPTUEWKFYSGJY-WDEREUQCSA-N -1 3 359.386 0.907 10 0 FCAEHM Cc1ccc(S(=O)(=O)NCCC(=O)NCCCc2cc(=O)[nH][n-]2)cc1 ZINC000614924001 492064874 /nfs/dbraw/zinc/06/48/74/492064874.db2.gz YLYDJQKWXNWDML-UHFFFAOYSA-N -1 3 366.443 0.436 10 0 FCAEHM C[C@@H](C(=O)[N-]c1nnc2[nH]cnn12)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000614990857 492067868 /nfs/dbraw/zinc/06/78/68/492067868.db2.gz HJKAUEBIMFPNIM-SECBINFHSA-N -1 3 363.403 0.445 10 0 FCAEHM COC(=O)C12CC(C1)CN2C(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000598058244 492082373 /nfs/dbraw/zinc/08/23/73/492082373.db2.gz XOLYFBTUFAEPOP-UHFFFAOYSA-N -1 3 357.366 0.656 10 0 FCAEHM COC(=O)[C@@](C)(CCF)NC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000598284818 492093066 /nfs/dbraw/zinc/09/30/66/492093066.db2.gz JVIXEGOSEGMNHX-IAGOWNOFSA-N -1 3 365.361 0.762 10 0 FCAEHM Cc1oncc1C(=O)Nc1ccc(NC(=O)CN2CC(=O)[N-]C2=O)cc1 ZINC000605504978 492096884 /nfs/dbraw/zinc/09/68/84/492096884.db2.gz HHQWDCLNZZODRO-UHFFFAOYSA-N -1 3 357.326 0.726 10 0 FCAEHM COC(=O)c1csc(S(=O)(=O)[N-]CCC2CS(=O)(=O)C2)c1 ZINC000615747711 492101086 /nfs/dbraw/zinc/10/10/86/492101086.db2.gz XFHUKJIGWVCIMJ-UHFFFAOYSA-N -1 3 353.443 0.248 10 0 FCAEHM CCCC(=O)N1CCC[C@H](C(=O)NCc2nnc(C(=O)OCC)[n-]2)C1 ZINC000615918047 492107083 /nfs/dbraw/zinc/10/70/83/492107083.db2.gz QRYWRTMABAKILA-NSHDSACASA-N -1 3 351.407 0.636 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)[n-]1 ZINC000615920203 492107795 /nfs/dbraw/zinc/10/77/95/492107795.db2.gz OYGVIXQQCQGXKM-SNVBAGLBSA-N -1 3 361.333 0.863 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)c2[nH]c(CC)c(C(=O)OC)c2C)[n-]1 ZINC000615920283 492107976 /nfs/dbraw/zinc/10/79/76/492107976.db2.gz RALHTXQEJWGMGH-UHFFFAOYSA-N -1 3 363.374 0.897 10 0 FCAEHM NS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc([O-])c3ncccc23)C1 ZINC000616022301 492114830 /nfs/dbraw/zinc/11/48/30/492114830.db2.gz DQMOSQMPJANACH-LBPRGKRZSA-N -1 3 364.427 0.472 10 0 FCAEHM C[C@@](CO)(NC(=O)CN1CC(=O)[N-]C1=O)c1cc(Cl)cc(Cl)c1 ZINC000616075331 492116063 /nfs/dbraw/zinc/11/60/63/492116063.db2.gz BJWSTPPNFFZHBG-AWEZNQCLSA-N -1 3 360.197 0.869 10 0 FCAEHM Cc1cccc(C)c1NC(=O)C[N-]S(=O)(=O)CCCS(C)(=O)=O ZINC000607158644 492139480 /nfs/dbraw/zinc/13/94/80/492139480.db2.gz NHUCBNLWBIZCMZ-UHFFFAOYSA-N -1 3 362.473 0.596 10 0 FCAEHM CN(Cc1ccc2c(c1)OC(F)(F)O2)C(=O)CC[C@H]1NC(=O)[N-]C1=O ZINC000616710173 492139446 /nfs/dbraw/zinc/13/94/46/492139446.db2.gz YEBSVJISBQVVAS-SECBINFHSA-N -1 3 355.297 0.955 10 0 FCAEHM CS(=O)(=O)CCCS(=O)(=O)[N-]CC(=O)N1CCCc2ccccc21 ZINC000607159013 492139667 /nfs/dbraw/zinc/13/96/67/492139667.db2.gz QNCSKRKZXAJMMC-UHFFFAOYSA-N -1 3 374.484 0.320 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@H]2CS(N)(=O)=O)c([O-])c1 ZINC000607190340 492140661 /nfs/dbraw/zinc/14/06/61/492140661.db2.gz IFMQPJMNSIDCGN-LBPRGKRZSA-N -1 3 369.443 0.100 10 0 FCAEHM C[C@@](CO)(NC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1cccc(C(F)(F)F)c1 ZINC000616814991 492144650 /nfs/dbraw/zinc/14/46/50/492144650.db2.gz RLRAKCKRBICWSE-HZMBPMFUSA-N -1 3 359.304 0.627 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]C(C)(C)c2cnn(C)c2)on1 ZINC000599241251 492147771 /nfs/dbraw/zinc/14/77/71/492147771.db2.gz FZVBEAXFKVYNAF-UHFFFAOYSA-N -1 3 356.404 0.940 10 0 FCAEHM COC1CC(CCNC(=O)CC[N-]S(=O)(=O)c2cn(C)c(C)n2)C1 ZINC000617028734 492153012 /nfs/dbraw/zinc/15/30/12/492153012.db2.gz XNVSAGICCIOCKT-UHFFFAOYSA-N -1 3 358.464 0.328 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]Cc2ccc(OC)cn2)on1 ZINC000599287444 492154772 /nfs/dbraw/zinc/15/47/72/492154772.db2.gz UOYGJRKJQHNARR-UHFFFAOYSA-N -1 3 355.372 0.875 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NC[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000617120303 492155635 /nfs/dbraw/zinc/15/56/35/492155635.db2.gz VKHOBHKUWVADSP-JQWIXIFHSA-N -1 3 350.806 0.881 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]Cc2cnn(CCOC)c2)on1 ZINC000599299197 492156593 /nfs/dbraw/zinc/15/65/93/492156593.db2.gz HQEKEVYQCMMIEC-UHFFFAOYSA-N -1 3 372.403 0.314 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H](CO)C2CCOCC2)on1 ZINC000599302441 492157004 /nfs/dbraw/zinc/15/70/04/492157004.db2.gz JODMDZMCCFLCDD-ZDUSSCGKSA-N -1 3 362.404 0.058 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]C[C@H](CO)c2cccnc2)on1 ZINC000599306297 492158250 /nfs/dbraw/zinc/15/82/50/492158250.db2.gz FESFIGBTBYSSAT-GFCCVEGCSA-N -1 3 369.399 0.442 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H]1C[C@H](C)n2ncnc21 ZINC000617432516 492168138 /nfs/dbraw/zinc/16/81/38/492168138.db2.gz HOZYYFAMWHRKOC-LPEHRKFASA-N -1 3 355.445 0.829 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@H]1C[C@@H](C)n2ncnc21 ZINC000617432517 492168295 /nfs/dbraw/zinc/16/82/95/492168295.db2.gz HOZYYFAMWHRKOC-UTLUCORTSA-N -1 3 355.445 0.829 10 0 FCAEHM Cn1ccnc1C[C@H](NC(=O)c1cn(C)c(=O)[n-]c1=O)c1ccccc1 ZINC000608206790 492168515 /nfs/dbraw/zinc/16/85/15/492168515.db2.gz KAGCETIXOMNTMF-AWEZNQCLSA-N -1 3 353.382 0.933 10 0 FCAEHM C[C@@H]1C[C@@H](NC(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)c2ncnn21 ZINC000617443189 492168668 /nfs/dbraw/zinc/16/86/68/492168668.db2.gz WNMXSHQZQRCMIU-KSYCPYKJSA-N -1 3 354.370 0.769 10 0 FCAEHM COC(=O)[C@@H](Cc1cccc(OC)c1)[N-]S(=O)(=O)N1CC[C@@H](C)C1 ZINC000599404916 492168836 /nfs/dbraw/zinc/16/88/36/492168836.db2.gz QXCNKINGFZULNG-IUODEOHRSA-N -1 3 356.444 0.956 10 0 FCAEHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]C[C@@H]1COCCN1C ZINC000599453193 492174512 /nfs/dbraw/zinc/17/45/12/492174512.db2.gz MFFHHVARELRNJP-SNVBAGLBSA-N -1 3 362.835 0.736 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CO)[C@@H]2CCC[C@@H](OC)C2)c(C)o1 ZINC000617532243 492174560 /nfs/dbraw/zinc/17/45/60/492174560.db2.gz HFZLDLIZGQEXEF-YRGRVCCFSA-N -1 3 374.459 0.792 10 0 FCAEHM CCOC[C@H](C)CS(=O)(=O)[N-][C@H](C[C@H]1CCCOC1)C(=O)OC ZINC000599456560 492175379 /nfs/dbraw/zinc/17/53/79/492175379.db2.gz NGUCNUZOHCMEJC-BFHYXJOUSA-N -1 3 351.465 0.937 10 0 FCAEHM COC(=O)[C@@H](C[C@@H]1CCCOC1)[N-]S(=O)(=O)N1CCOC(C)(C)C1 ZINC000599456506 492175409 /nfs/dbraw/zinc/17/54/09/492175409.db2.gz MMECMACOLLNOCM-QWHCGFSZSA-N -1 3 364.464 0.290 10 0 FCAEHM COC(=O)[C@@H](C[C@H]1CCCOC1)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000599457591 492175443 /nfs/dbraw/zinc/17/54/43/492175443.db2.gz UHTDAMZDUZQMFF-VXGBXAGGSA-N -1 3 373.431 0.302 10 0 FCAEHM CCN(C(=O)CNC(=O)c1c[n-]c2ccccc2c1=O)[C@@H]1CCN(C)C1 ZINC000617557376 492175808 /nfs/dbraw/zinc/17/58/08/492175808.db2.gz KDXTVCZXGRGCMX-CYBMUJFWSA-N -1 3 356.426 0.811 10 0 FCAEHM CCN(C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)[C@H]1CCN(C)C1 ZINC000617559870 492175878 /nfs/dbraw/zinc/17/58/78/492175878.db2.gz BDIBHJOLAPNSOA-NSHDSACASA-N -1 3 361.414 0.796 10 0 FCAEHM CCN(C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)[C@@H]1CCN(C)C1 ZINC000617559869 492175945 /nfs/dbraw/zinc/17/59/45/492175945.db2.gz BDIBHJOLAPNSOA-LLVKDONJSA-N -1 3 361.414 0.796 10 0 FCAEHM COC(=O)C[C@H](O)C[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000599461268 492176229 /nfs/dbraw/zinc/17/62/29/492176229.db2.gz BDBRAYXMQQZZKJ-VIFPVBQESA-N -1 3 365.791 0.329 10 0 FCAEHM CCOC(=O)CCS(=O)(=O)[N-][C@H](C[C@@H]1CCCOC1)C(=O)OC ZINC000599460696 492176321 /nfs/dbraw/zinc/17/63/21/492176321.db2.gz OYQOZEAJXBBUNR-NWDGAFQWSA-N -1 3 351.421 0.217 10 0 FCAEHM COC(=O)c1ncccc1S(=O)(=O)[N-]CC(C)(C)C(=O)N1CCCC1 ZINC000599477278 492178438 /nfs/dbraw/zinc/17/84/38/492178438.db2.gz VSOVMJVNNSIVDF-UHFFFAOYSA-N -1 3 369.443 0.795 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)NC[C@]2(OCCO)CCOC2)c([O-])c1 ZINC000617709164 492181522 /nfs/dbraw/zinc/18/15/22/492181522.db2.gz RFGYJYIDDBNWFS-GOSISDBHSA-N -1 3 366.414 0.105 10 0 FCAEHM COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)[N-][C@H]1CCN(C2CCC2)C1=O ZINC000599523665 492183584 /nfs/dbraw/zinc/18/35/84/492183584.db2.gz CPOXSNLDJRRBQC-RDBSUJKOSA-N -1 3 358.460 0.791 10 0 FCAEHM CO[C@@]1(CO)CCCN(C(=O)C[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000617792951 492191830 /nfs/dbraw/zinc/19/18/30/492191830.db2.gz JTUKSOIOPKWVRU-HNNXBMFYSA-N -1 3 360.407 0.104 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CC[C@H](O)C(F)(F)C1 ZINC000617810162 492193133 /nfs/dbraw/zinc/19/31/33/492193133.db2.gz BPMKACAVHAIPKB-CABZTGNLSA-N -1 3 366.361 0.721 10 0 FCAEHM CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000617887966 492202178 /nfs/dbraw/zinc/20/21/78/492202178.db2.gz JILKFQXNSQRUIA-RYUDHWBXSA-N -1 3 355.412 0.648 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000618075015 492209671 /nfs/dbraw/zinc/20/96/71/492209671.db2.gz KMPJJNUMRJBXFN-MRVPVSSYSA-N -1 3 357.292 0.711 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N(C)C[C@@H]1COCCO1 ZINC000618229229 492217463 /nfs/dbraw/zinc/21/74/63/492217463.db2.gz ZSGGWFJSQURREJ-NWDGAFQWSA-N -1 3 360.407 0.366 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N(C)C[C@H]1COCCO1 ZINC000618229230 492217478 /nfs/dbraw/zinc/21/74/78/492217478.db2.gz ZSGGWFJSQURREJ-RYUDHWBXSA-N -1 3 360.407 0.366 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000618258705 492218990 /nfs/dbraw/zinc/21/89/90/492218990.db2.gz TZQCJRCNFUCIHC-OZTPJHRESA-N -1 3 358.435 0.968 10 0 FCAEHM COC(=O)[C@@](C)(NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F)C1CC1 ZINC000609887548 492226332 /nfs/dbraw/zinc/22/63/32/492226332.db2.gz JJBBYYFFVLKIMX-QFYYESIMSA-N -1 3 372.418 0.950 10 0 FCAEHM COC(=O)[C@](C)([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)C1CC1 ZINC000609899444 492226685 /nfs/dbraw/zinc/22/66/85/492226685.db2.gz CMSRUYUFBNKXCR-CQSZACIVSA-N -1 3 361.441 0.710 10 0 FCAEHM Cc1cncc(CCNC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)n1 ZINC000619210048 492253391 /nfs/dbraw/zinc/25/33/91/492253391.db2.gz XBVPTQKAVAGYIZ-UHFFFAOYSA-N -1 3 353.382 0.950 10 0 FCAEHM CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3cc(SC)ccc3[O-])C[C@H]21 ZINC000619220694 492253652 /nfs/dbraw/zinc/25/36/52/492253652.db2.gz KPOKKCZKRMAUAU-YUTCNCBUSA-N -1 3 357.453 0.998 10 0 FCAEHM COC(=O)[C@@]1([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2F)CCOC1 ZINC000610679903 492258148 /nfs/dbraw/zinc/25/81/48/492258148.db2.gz WAOJRFBYDRGITR-CQSZACIVSA-N -1 3 360.363 0.395 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)NC[C@@H]2C(C)(C)C2(F)F)cn1C ZINC000619393099 492261639 /nfs/dbraw/zinc/26/16/39/492261639.db2.gz GYEXZMMQAQDGFS-SNVBAGLBSA-N -1 3 364.418 0.804 10 0 FCAEHM CC(C)OC(=O)CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000610912883 492269467 /nfs/dbraw/zinc/26/94/67/492269467.db2.gz PXCWXSNTUWLDRO-NSHDSACASA-N -1 3 360.407 0.950 10 0 FCAEHM COC(=O)c1sc2ccccc2c1CNC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000611203174 492281121 /nfs/dbraw/zinc/28/11/21/492281121.db2.gz APLDNQZRIDKHPY-JTQLQIEISA-N -1 3 361.379 0.902 10 0 FCAEHM O=C(Cc1cncc([O-])c1)NC[C@@]1(CO)COCCN1Cc1ccccc1 ZINC000619941773 492283349 /nfs/dbraw/zinc/28/33/49/492283349.db2.gz OVMQEJJDZVOQLP-HXUWFJFHSA-N -1 3 371.437 0.709 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CC[C@H]2COC[C@H]2C1 ZINC000620152997 492295768 /nfs/dbraw/zinc/29/57/68/492295768.db2.gz CZALSHXJCJHXAI-DTWKUNHWSA-N -1 3 358.192 0.206 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CC[C@@H]2COC[C@@H]2C1 ZINC000620152996 492295831 /nfs/dbraw/zinc/29/58/31/492295831.db2.gz CZALSHXJCJHXAI-BDAKNGLRSA-N -1 3 358.192 0.206 10 0 FCAEHM C[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccco2)C[C@@H]1C(=O)[O-] ZINC000647504240 492299311 /nfs/dbraw/zinc/29/93/11/492299311.db2.gz LSMGZQVRZDCSOV-ZFWWWQNUSA-N -1 3 365.430 0.739 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC(c3ccon3)CC2)cn1C ZINC000620222132 492299566 /nfs/dbraw/zinc/29/95/66/492299566.db2.gz JVDPEJLRIOCUJM-UHFFFAOYSA-N -1 3 367.431 0.401 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C(=O)NC(C)C)C2)cn1 ZINC000620399462 492306367 /nfs/dbraw/zinc/30/63/67/492306367.db2.gz SSELTAYGSVENDL-CYBMUJFWSA-N -1 3 368.459 0.367 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCC[C@H](O)C(F)F ZINC000633993468 492312650 /nfs/dbraw/zinc/31/26/50/492312650.db2.gz GHERMQFAJJQAIK-WPRPVWTQSA-N -1 3 354.350 0.625 10 0 FCAEHM CO[C@H]1CN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)[C@@](C)(CO)C1 ZINC000634057940 492317023 /nfs/dbraw/zinc/31/70/23/492317023.db2.gz BUULQAVFHBPNEH-HWWQOWPSSA-N -1 3 374.434 0.491 10 0 FCAEHM CO[C@H]1CN(C(=O)CC[N-]S(=O)(=O)c2ccccc2F)[C@@](C)(CO)C1 ZINC000634061644 492317613 /nfs/dbraw/zinc/31/76/13/492317613.db2.gz RLMHLNRTEYCQGF-MLGOLLRUSA-N -1 3 374.434 0.492 10 0 FCAEHM C[C@@H](NC(=O)c1cc(C(N)=O)cn1C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000647705562 492347790 /nfs/dbraw/zinc/34/77/90/492347790.db2.gz ZZQNOSCJFKEEEX-NXEZZACHSA-N -1 3 359.386 0.618 10 0 FCAEHM COCC1(NC(=O)CC[N-]S(=O)(=O)c2cn(C)c(C)n2)CCCCC1 ZINC000621020296 492352721 /nfs/dbraw/zinc/35/27/21/492352721.db2.gz LVCHQZVPRLOJSU-UHFFFAOYSA-N -1 3 372.491 0.862 10 0 FCAEHM C[C@H](CC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)NC(N)=O ZINC000654826004 492357074 /nfs/dbraw/zinc/35/70/74/492357074.db2.gz KWPXIEDIYQKFLY-MRVPVSSYSA-N -1 3 358.395 0.652 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-][C@@H]2CS(=O)(=O)Cc3ccccc32)c1 ZINC000621306207 492372966 /nfs/dbraw/zinc/37/29/66/492372966.db2.gz TYPWFOBHQQGVPN-CYBMUJFWSA-N -1 3 355.441 0.851 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)NC1CC(N2CCOCC2)C1 ZINC000627928868 492421970 /nfs/dbraw/zinc/42/19/70/492421970.db2.gz LSDPGUMCHBBJHX-UHFFFAOYSA-N -1 3 372.425 0.472 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCC(c2ccc3cccnc3n2)CC1 ZINC000655266858 492422656 /nfs/dbraw/zinc/42/26/56/492422656.db2.gz KNMMDFSDVQOKFP-UHFFFAOYSA-N -1 3 353.382 0.888 10 0 FCAEHM C[C@@]1(c2ccc(C(=O)N3CCN(CCCF)CC3)cc2)NC(=O)[N-]C1=O ZINC000627959606 492427284 /nfs/dbraw/zinc/42/72/84/492427284.db2.gz SKUKMJQCHDRCKH-SFHVURJKSA-N -1 3 362.405 0.859 10 0 FCAEHM CC[C@@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1)[C@@H]1CCCCO1 ZINC000655343358 492437069 /nfs/dbraw/zinc/43/70/69/492437069.db2.gz ABVLDAUTDJBWLO-OLZOCXBDSA-N -1 3 358.464 0.471 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)NC[C@H]2CCC3(CCCC3)O2)c1 ZINC000655369773 492438988 /nfs/dbraw/zinc/43/89/88/492438988.db2.gz ZEURJAZUMUMPSO-GFCCVEGCSA-N -1 3 356.448 0.306 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)c2cn(C3CCC3)nn2)s1 ZINC000648725039 492448309 /nfs/dbraw/zinc/44/83/09/492448309.db2.gz XPQWIMCCOXZISJ-UHFFFAOYSA-N -1 3 355.445 0.903 10 0 FCAEHM COc1ccccc1-c1nc(NC(=O)[C@H]2CCN(C)S2(=O)=O)n[n-]1 ZINC000648746218 492451110 /nfs/dbraw/zinc/45/11/10/492451110.db2.gz PDDVHLXQCUNKKK-LLVKDONJSA-N -1 3 351.388 0.453 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NC[C@@H]1C(C)(C)C1(F)F ZINC000622177271 492463957 /nfs/dbraw/zinc/46/39/57/492463957.db2.gz RPMRNHQUGKLLHS-SECBINFHSA-N -1 3 351.375 0.977 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NCCc1cncc(C)n1 ZINC000622175308 492464260 /nfs/dbraw/zinc/46/42/60/492464260.db2.gz DTLQXOSMXGPZLU-UHFFFAOYSA-N -1 3 353.404 0.027 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N[C@H](c1ccccc1)[C@@H](C)O ZINC000622185798 492465408 /nfs/dbraw/zinc/46/54/08/492465408.db2.gz QBNJEUNJRKIGBF-ABAIWWIYSA-N -1 3 367.427 0.808 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]Cc2nnn(C(C)(C)C)n2)coc1C(=O)N(C)C ZINC000655636435 492467589 /nfs/dbraw/zinc/46/75/89/492467589.db2.gz SFCUDONKPWHQFC-UHFFFAOYSA-N -1 3 370.435 0.510 10 0 FCAEHM COCC1(C[N-]S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)CC1 ZINC000655637507 492468531 /nfs/dbraw/zinc/46/85/31/492468531.db2.gz BOUWZLGDRFDBBI-UHFFFAOYSA-N -1 3 362.473 0.642 10 0 FCAEHM COc1ccccc1C1(NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)CC1 ZINC000648993260 492483060 /nfs/dbraw/zinc/48/30/60/492483060.db2.gz LXQMILGHWPCUNT-UHFFFAOYSA-N -1 3 364.427 0.513 10 0 FCAEHM C[C@H](CNC(=O)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1)C(=O)[O-] ZINC000655985712 492505380 /nfs/dbraw/zinc/50/53/80/492505380.db2.gz BSABNPMUMZPRTE-KUHUBIRLSA-N -1 3 361.442 0.994 10 0 FCAEHM C[C@H]1C(=O)N(C)CN1C(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000649160355 492506719 /nfs/dbraw/zinc/50/67/19/492506719.db2.gz JFZDJMXPMIQNPQ-VIFPVBQESA-N -1 3 361.370 0.280 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)NC[C@H](O)[C@H]1CCCO1 ZINC000628590073 492526808 /nfs/dbraw/zinc/52/68/08/492526808.db2.gz GYEVJQMIRHTMQO-QWHCGFSZSA-N -1 3 360.407 0.150 10 0 FCAEHM COc1cc2[n-]cc(C(=O)NC[C@H](O)[C@@H]3CCCO3)c(=O)c2c(OC)c1 ZINC000628600968 492529330 /nfs/dbraw/zinc/52/93/30/492529330.db2.gz HUBRVNAYWPSNRI-KBPBESRZSA-N -1 3 362.382 0.815 10 0 FCAEHM COc1cc2ncc(C(=O)NC[C@H](O)[C@@H]3CCCO3)c([O-])c2c(OC)c1 ZINC000628600968 492529333 /nfs/dbraw/zinc/52/93/33/492529333.db2.gz HUBRVNAYWPSNRI-KBPBESRZSA-N -1 3 362.382 0.815 10 0 FCAEHM CN1Cc2ccccc2[C@H]([N-]S(=O)(=O)c2cnn3c2OCCC3)C1=O ZINC000623239672 492532731 /nfs/dbraw/zinc/53/27/31/492532731.db2.gz PMAAAPKNTDGNCI-AWEZNQCLSA-N -1 3 362.411 0.657 10 0 FCAEHM O=C(N[C@H]1CCN(c2ccc3nncn3n2)C1)c1cc(F)cc2nn[n-]c21 ZINC000628726015 492537844 /nfs/dbraw/zinc/53/78/44/492537844.db2.gz YYKNJRVZGHSZSM-JTQLQIEISA-N -1 3 367.348 0.543 10 0 FCAEHM O=C(N[C@H]1CCN(c2ccc3nncn3n2)C1)c1cc(F)cc2[n-]nnc21 ZINC000628726015 492537847 /nfs/dbraw/zinc/53/78/47/492537847.db2.gz YYKNJRVZGHSZSM-JTQLQIEISA-N -1 3 367.348 0.543 10 0 FCAEHM O=C(N[C@H]1CCN(c2ccc3nncn3n2)C1)c1cc(F)cc2n[n-]nc21 ZINC000628726015 492537851 /nfs/dbraw/zinc/53/78/51/492537851.db2.gz YYKNJRVZGHSZSM-JTQLQIEISA-N -1 3 367.348 0.543 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC[C@H]1COCCN1C ZINC000628916220 492562591 /nfs/dbraw/zinc/56/25/91/492562591.db2.gz HBJQOJIEYKELLS-HNNXBMFYSA-N -1 3 371.441 0.520 10 0 FCAEHM CN1CCOC[C@@H]1CNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000628922578 492564789 /nfs/dbraw/zinc/56/47/89/492564789.db2.gz OUWMLENWHRXPKY-VIFPVBQESA-N -1 3 367.880 0.127 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N[C@@H]2CO[C@H](C3CC3)C2)cn1C ZINC000629137173 492579505 /nfs/dbraw/zinc/57/95/05/492579505.db2.gz KPMFMDBZKNUGFO-STQMWFEESA-N -1 3 356.448 0.081 10 0 FCAEHM COc1ccc(C(=O)[N-]c2cnoc2)cc1S(=O)(=O)N1CCOCC1 ZINC000623943334 492607370 /nfs/dbraw/zinc/60/73/70/492607370.db2.gz QCIRWPMMAHUMPA-UHFFFAOYSA-N -1 3 367.383 0.956 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]CCN2CCS(=O)(=O)CC2)c(F)c1F ZINC000629350750 492616836 /nfs/dbraw/zinc/61/68/36/492616836.db2.gz BODXRWJKHFNRJU-UHFFFAOYSA-N -1 3 368.427 0.282 10 0 FCAEHM O=C(Cn1cc([N-]S(=O)(=O)N2CCCOCC2)cn1)NC1CCCC1 ZINC000650171054 492619388 /nfs/dbraw/zinc/61/93/88/492619388.db2.gz HQOXZLQJNHNJAK-UHFFFAOYSA-N -1 3 371.463 0.321 10 0 FCAEHM CN(C)CCN1CCN(C(=O)N=c2nc3cc(Cl)ccn3[n-]2)CC1=O ZINC000650209285 492622451 /nfs/dbraw/zinc/62/24/51/492622451.db2.gz PQIHHEYGRIUSFN-UHFFFAOYSA-N -1 3 365.825 0.042 10 0 FCAEHM C[C@]12COC[C@@H]1CN([C@H]1CC(=O)N(Cc3ccc(C(=O)[O-])cc3)C1=O)C2 ZINC000656479550 492625056 /nfs/dbraw/zinc/62/50/56/492625056.db2.gz ZABFUYQWKIRMQC-DOXZYTNZSA-N -1 3 358.394 0.981 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]c1ccc(N2CCOCC2)cn1)[C@@H]1CCOC1 ZINC000656728529 492646512 /nfs/dbraw/zinc/64/65/12/492646512.db2.gz WDUMNQHHFKWVMD-UKRRQHHQSA-N -1 3 371.459 0.711 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]C[C@@H]1COc2ccccc2O1)[C@H]1CCOC1 ZINC000656862117 492653908 /nfs/dbraw/zinc/65/39/08/492653908.db2.gz ZBGPQXDBDRLZOL-WOSRLPQWSA-N -1 3 357.428 0.797 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@@H](Cc1ccccc1)C(N)=O)[C@@H]1CCOC1 ZINC000656884758 492660013 /nfs/dbraw/zinc/66/00/13/492660013.db2.gz DYTFTWUBTBULRH-QLFBSQMISA-N -1 3 356.444 0.054 10 0 FCAEHM CCc1ncc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2C[C@H]2C)cn1 ZINC000629629994 492661025 /nfs/dbraw/zinc/66/10/25/492661025.db2.gz VGQPTUCZADINHK-ZYHUDNBSSA-N -1 3 362.477 0.499 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@@H]1CCN(c2ccccc2)C1=O)[C@H]1CCOC1 ZINC000656896910 492662508 /nfs/dbraw/zinc/66/25/08/492662508.db2.gz FNCCZECSDBPGPP-NUEKZKHPSA-N -1 3 368.455 0.763 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]Cc1nnnn1-c1ccccc1)[C@@H]1CCOC1 ZINC000656896112 492662599 /nfs/dbraw/zinc/66/25/99/492662599.db2.gz GELVCBWIRDCLBQ-OCCSQVGLSA-N -1 3 367.431 0.133 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]Cc1n[nH]cc1Br)[C@@H]1CCOC1 ZINC000656898732 492662833 /nfs/dbraw/zinc/66/28/33/492662833.db2.gz WDYXKKJZXGIPJL-KCJUWKMLSA-N -1 3 368.253 0.643 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@H](C(=O)N1CCCC1)C(C)C)[C@H]1CCOC1 ZINC000656903748 492664187 /nfs/dbraw/zinc/66/41/87/492664187.db2.gz NQSRUVQVUFHIKI-ZNMIVQPWSA-N -1 3 362.492 0.604 10 0 FCAEHM CC(C)C[C@@H](CNC(=O)C(=O)N1CCN(c2ccncc2)CC1)C(=O)[O-] ZINC000644203184 492667133 /nfs/dbraw/zinc/66/71/33/492667133.db2.gz CUHBFZOPNYWTEL-AWEZNQCLSA-N -1 3 362.430 0.593 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@@H]1CCN(C2CCCCC2)C1=O)[C@H]1CCOC1 ZINC000656937050 492673589 /nfs/dbraw/zinc/67/35/89/492673589.db2.gz DXNRDSJVDJSBKD-NUEKZKHPSA-N -1 3 374.503 0.891 10 0 FCAEHM CN1CCOC[C@H]1CNC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000624739657 492678660 /nfs/dbraw/zinc/67/86/60/492678660.db2.gz YAVGSEZMTXOMFM-CQSZACIVSA-N -1 3 362.430 0.190 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]Cc2nc([C@@H](C)c3cnccn3)no2)cn1C ZINC000624756179 492679519 /nfs/dbraw/zinc/67/95/19/492679519.db2.gz OWRPXHMKWULDQY-VIFPVBQESA-N -1 3 363.403 0.532 10 0 FCAEHM O=C1CCc2cc(Cl)c(S(=O)(=O)[N-]C3COCCOC3)cc2N1 ZINC000644287915 492692414 /nfs/dbraw/zinc/69/24/14/492692414.db2.gz NYAZEMRBUBTKQJ-UHFFFAOYSA-N -1 3 360.819 0.918 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]Cc1nccc(C(F)(F)F)n1)[C@@H]1CCOC1 ZINC000657013477 492693658 /nfs/dbraw/zinc/69/36/58/492693658.db2.gz UNXXRKJFMOIENT-ZJUUUORDSA-N -1 3 369.365 0.966 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@H]1CCc2ccccc2NC1=O)[C@@H]1CCOC1 ZINC000657024547 492698148 /nfs/dbraw/zinc/69/81/48/492698148.db2.gz YINPYSCFQQPOJP-VNQPRFMTSA-N -1 3 368.455 0.911 10 0 FCAEHM COC[C@]1(C)CN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)CCO1 ZINC000629901565 492698753 /nfs/dbraw/zinc/69/87/53/492698753.db2.gz AEGIDPSYSBHBGZ-LRDDRELGSA-N -1 3 374.434 0.756 10 0 FCAEHM CC(C)(C)N1CC[C@H]1C[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000657034335 492700752 /nfs/dbraw/zinc/70/07/52/492700752.db2.gz LDLUBINVMDQKHK-NSHDSACASA-N -1 3 361.489 0.636 10 0 FCAEHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1)[C@@H]1CCOC1 ZINC000657044436 492702203 /nfs/dbraw/zinc/70/22/03/492702203.db2.gz AMGMPCDUUXFILZ-YPMHNXCESA-N -1 3 362.473 0.714 10 0 FCAEHM CO[C@H](C[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1)[C@H]1CCOC1 ZINC000657044435 492702609 /nfs/dbraw/zinc/70/26/09/492702609.db2.gz AMGMPCDUUXFILZ-WCQYABFASA-N -1 3 362.473 0.714 10 0 FCAEHM CC[C@@H](COCC1CC1)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000657058649 492705824 /nfs/dbraw/zinc/70/58/24/492705824.db2.gz SVQBOLIUZXVYNM-LBPRGKRZSA-N -1 3 362.473 0.969 10 0 FCAEHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)c2ncnn21 ZINC000657068598 492708326 /nfs/dbraw/zinc/70/83/26/492708326.db2.gz QIKKSCTXTUKDET-LDYMZIIASA-N -1 3 374.419 0.805 10 0 FCAEHM O=S(=O)(C[C@H]1CCCCC1(F)F)[N-]C[C@@]1(OCCO)CCOC1 ZINC000657086718 492712980 /nfs/dbraw/zinc/71/29/80/492712980.db2.gz MUWFTPAUORLCKI-OLZOCXBDSA-N -1 3 357.419 0.899 10 0 FCAEHM CCO[C@H](CS(=O)(=O)[N-][C@H]1CCN(C2CCOCC2)C1=O)C1CC1 ZINC000625045726 492715295 /nfs/dbraw/zinc/71/52/95/492715295.db2.gz ZIWFPKUPGIZZTH-LSDHHAIUSA-N -1 3 360.476 0.501 10 0 FCAEHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccnc(N2CCOCC2)n1 ZINC000625057485 492716853 /nfs/dbraw/zinc/71/68/53/492716853.db2.gz CQRHMQQWOBCZNO-UHFFFAOYSA-N -1 3 352.358 0.746 10 0 FCAEHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccnc(N2CCOCC2)n1 ZINC000625057485 492716856 /nfs/dbraw/zinc/71/68/56/492716856.db2.gz CQRHMQQWOBCZNO-UHFFFAOYSA-N -1 3 352.358 0.746 10 0 FCAEHM COc1ccc(-n2cc(C[N-]S(=O)(=O)c3cnc(C)n3C)nn2)cc1 ZINC000625057650 492717060 /nfs/dbraw/zinc/71/70/60/492717060.db2.gz SNEJXRQQXDAQTI-UHFFFAOYSA-N -1 3 362.415 0.796 10 0 FCAEHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-]C1(C(N)=O)CC1 ZINC000625062912 492718779 /nfs/dbraw/zinc/71/87/79/492718779.db2.gz OTNSZANXGSIJSQ-UHFFFAOYSA-N -1 3 354.306 0.890 10 0 FCAEHM CCO[C@H]1COCC[C@@H]1[N-]S(=O)(=O)CC1(OCC)CCOCC1 ZINC000625121736 492726782 /nfs/dbraw/zinc/72/67/82/492726782.db2.gz WQQKSYHVBJYKKH-KBPBESRZSA-N -1 3 351.465 0.686 10 0 FCAEHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)CC2(OCC)CCOCC2)[C@@H]1OC ZINC000625118405 492726834 /nfs/dbraw/zinc/72/68/34/492726834.db2.gz ITVXWYJZTLEBOE-MCIONIFRSA-N -1 3 351.465 0.684 10 0 FCAEHM C[C@@H]1CCC[C@@H](CNS(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)O1 ZINC000657154241 492733328 /nfs/dbraw/zinc/73/33/28/492733328.db2.gz JHHZAOXFGBKBNT-ZJUUUORDSA-N -1 3 368.415 0.270 10 0 FCAEHM O=C(NCC[C@]1(O)CCOC1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000651278587 492733510 /nfs/dbraw/zinc/73/35/10/492733510.db2.gz YGMIKCONHZILNJ-SFHVURJKSA-N -1 3 363.414 0.401 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N3CCC[C@@H](CCF)C3)cnc21 ZINC000657163131 492734950 /nfs/dbraw/zinc/73/49/50/492734950.db2.gz YNPHIQBZSRFIOB-JTQLQIEISA-N -1 3 370.406 0.794 10 0 FCAEHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@@H]2COC[C@@]2(C)C1 ZINC000657164041 492735177 /nfs/dbraw/zinc/73/51/77/492735177.db2.gz DHJIIPLKJZFNEH-IUODEOHRSA-N -1 3 374.484 0.642 10 0 FCAEHM CCN1CC[C@@H]([N-]S(=O)(=O)C[C@@H](Cc2ccc(F)cc2)OC)C1=O ZINC000625195114 492737540 /nfs/dbraw/zinc/73/75/40/492737540.db2.gz XDWICNYVPJYGLO-HUUCEWRRSA-N -1 3 358.435 0.923 10 0 FCAEHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(O)(C2CC2)C2CC2)cn1 ZINC000657181195 492737860 /nfs/dbraw/zinc/73/78/60/492737860.db2.gz KARRPNNCWVZMEA-UHFFFAOYSA-N -1 3 360.457 0.315 10 0 FCAEHM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1C[C@@H](O)C12CCC2 ZINC000657185076 492739003 /nfs/dbraw/zinc/73/90/03/492739003.db2.gz BTQLMCVAKDITOL-ZIAGYGMSSA-N -1 3 374.484 0.519 10 0 FCAEHM CCO[C@H](CS(=O)(=O)N1CCC[C@H]1C[C@@]1(C)NC(=O)[N-]C1=O)C1CC1 ZINC000625213404 492740075 /nfs/dbraw/zinc/74/00/75/492740075.db2.gz TYXHBPMKXVRILR-WOSRLPQWSA-N -1 3 373.475 0.584 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-][C@H](CO)[C@H]2CCCOC2)CCOCC1 ZINC000625254809 492745766 /nfs/dbraw/zinc/74/57/66/492745766.db2.gz QQGJBNBTEXTCTA-UONOGXRCSA-N -1 3 351.465 0.279 10 0 FCAEHM Cc1nc(COC(C)(C)C)oc1C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000651437904 492757604 /nfs/dbraw/zinc/75/76/04/492757604.db2.gz NTORYYKADRHWGE-SNVBAGLBSA-N -1 3 350.375 0.674 10 0 FCAEHM Cn1cc(N2C[C@@H](C(=O)NCc3ccc(-c4nnn[n-]4)cc3)CC2=O)cn1 ZINC000625369378 492764590 /nfs/dbraw/zinc/76/45/90/492764590.db2.gz OKXWWFPJUMRIST-ZDUSSCGKSA-N -1 3 366.385 0.270 10 0 FCAEHM Cn1cc(N2C[C@@H](C(=O)NCc3ccc(-c4nn[n-]n4)cc3)CC2=O)cn1 ZINC000625369378 492764592 /nfs/dbraw/zinc/76/45/92/492764592.db2.gz OKXWWFPJUMRIST-ZDUSSCGKSA-N -1 3 366.385 0.270 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]C[C@]1(CO)COCC2(CCC2)N1C)C(C)C ZINC000625376017 492768271 /nfs/dbraw/zinc/76/82/71/492768271.db2.gz KNBWFBBJDGPGQB-ZBFHGGJFSA-N -1 3 364.508 0.193 10 0 FCAEHM CCO[C@H](CS(=O)(=O)[N-]C(c1nccn1C)c1nccn1C)C1CC1 ZINC000625377664 492768984 /nfs/dbraw/zinc/76/89/84/492768984.db2.gz RJTUFTNDLFYAQU-CYBMUJFWSA-N -1 3 367.475 0.978 10 0 FCAEHM CC(C)n1cnc(=NC(=O)C(=O)NCC(C)(C)N2CCC[C@H](C)C2)[n-]1 ZINC000651533344 492775989 /nfs/dbraw/zinc/77/59/89/492775989.db2.gz WAXJXNWCRHWSMH-ZDUSSCGKSA-N -1 3 350.467 0.846 10 0 FCAEHM CO[C@@H]1CN2C(=O)N(CC[N-]S(=O)(=O)c3cccs3)C(=O)[C@]2(C)C1 ZINC000630977831 492791954 /nfs/dbraw/zinc/79/19/54/492791954.db2.gz JGDZXLZAHUDPKO-HZMBPMFUSA-N -1 3 373.456 0.468 10 0 FCAEHM CCc1nn(C)c(OC)c1C[N-]S(=O)(=O)CC1(OC)CCOCC1 ZINC000651626836 492795998 /nfs/dbraw/zinc/79/59/98/492795998.db2.gz BKYKHMOHEFBOCM-UHFFFAOYSA-N -1 3 361.464 0.606 10 0 FCAEHM CC(C)n1cnc(=NC(=O)C(=O)N2CC[C@@H]3[C@H](CCCN3C3CC3)C2)[n-]1 ZINC000651630736 492796596 /nfs/dbraw/zinc/79/65/96/492796596.db2.gz NKIBYTJRPFFKPT-UKRRQHHQSA-N -1 3 360.462 0.695 10 0 FCAEHM O=C(Nc1ccc2c(c1)C=CCCC2)C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000657867822 492805792 /nfs/dbraw/zinc/80/57/92/492805792.db2.gz PODSSJMEGDYNPA-HNNXBMFYSA-N -1 3 368.393 0.737 10 0 FCAEHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]C[C@@H]2COCCN2C)s1 ZINC000625518155 492807441 /nfs/dbraw/zinc/80/74/41/492807441.db2.gz SYWAVSPXRPVPNZ-ZYHUDNBSSA-N -1 3 361.489 0.554 10 0 FCAEHM CCCNC(=O)C[N-]S(=O)(=O)Cc1ncsc1Br ZINC000631673609 492832693 /nfs/dbraw/zinc/83/26/93/492832693.db2.gz CEPRWHUSSTUTPW-UHFFFAOYSA-N -1 3 356.267 0.851 10 0 FCAEHM C[C@@H]1C[C@@H](S(=O)(=O)[N-]CC(=O)Nc2ccc3c(c2)OCCO3)CCO1 ZINC000625617878 492840094 /nfs/dbraw/zinc/84/00/94/492840094.db2.gz PTUBUSMYDBAWKH-YPMHNXCESA-N -1 3 370.427 0.883 10 0 FCAEHM COc1cccc(-n2cc(C(=O)N3CCC[C@H]3c3nc(=N)n(C)[n-]3)nn2)c1 ZINC000651976418 492857195 /nfs/dbraw/zinc/85/71/95/492857195.db2.gz KZANJQANQCAKEW-AWEZNQCLSA-N -1 3 368.401 0.794 10 0 FCAEHM Cc1cc(C(=O)N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)ccc1S(N)(=O)=O ZINC000651979054 492857391 /nfs/dbraw/zinc/85/73/91/492857391.db2.gz USQWGTVMALWSSK-LLVKDONJSA-N -1 3 364.431 0.161 10 0 FCAEHM Cc1cc(C(=O)N2CCC[C@H]2c2nc(=N)n(C)[n-]2)ccc1-n1cnnn1 ZINC000651979547 492857513 /nfs/dbraw/zinc/85/75/13/492857513.db2.gz YNSNTUCTCQVIRU-ZDUSSCGKSA-N -1 3 353.390 0.489 10 0 FCAEHM CCN1C[C@H](S(=O)(=O)[N-][C@H]2CCN(Cc3ccccc3)C2=O)CC1=O ZINC000631814001 492857862 /nfs/dbraw/zinc/85/78/62/492857862.db2.gz ZBZZTPJYFZZOAU-CABCVRRESA-N -1 3 365.455 0.328 10 0 FCAEHM Cn1ccnc1[C@@H]([N-]S(=O)(=O)C[C@@H]1CNCCO1)c1ccccc1F ZINC000631910773 492876341 /nfs/dbraw/zinc/87/63/41/492876341.db2.gz NHJXLGLIQDHXPA-WFASDCNBSA-N -1 3 368.434 0.556 10 0 FCAEHM CN1CCO[C@@H](CS(=O)(=O)[N-][C@H]2CCN(c3ccccc3)C2=O)C1 ZINC000631935155 492891551 /nfs/dbraw/zinc/89/15/51/492891551.db2.gz QIMJUTRPRRUGNZ-CABCVRRESA-N -1 3 353.444 0.042 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]Cc2ccc(C(N)=O)cc2)coc1C(=O)N(C)C ZINC000645436099 492906402 /nfs/dbraw/zinc/90/64/02/492906402.db2.gz VJKPRCANNFBTLY-UHFFFAOYSA-N -1 3 365.411 0.867 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CC(=O)NCc2ccco2)coc1C(=O)N(C)C ZINC000645444787 492906913 /nfs/dbraw/zinc/90/69/13/492906913.db2.gz HDZBQLBAEHUNHT-UHFFFAOYSA-N -1 3 369.399 0.478 10 0 FCAEHM CN1CC[C@@H]([N-]S(=O)(=O)Cc2ncsc2Br)C1=O ZINC000631997996 492907417 /nfs/dbraw/zinc/90/74/17/492907417.db2.gz OAMPAFODPXLJLZ-ZCFIWIBFSA-N -1 3 354.251 0.556 10 0 FCAEHM CNS(=O)(=O)Cc1ccc(C[N-]S(=O)(=O)c2cscn2)cc1 ZINC000645449194 492908110 /nfs/dbraw/zinc/90/81/10/492908110.db2.gz YVZUXAIIFQFNRX-UHFFFAOYSA-N -1 3 361.470 0.671 10 0 FCAEHM COC[C@](C)(O)C[N-]S(=O)(=O)Cc1ncsc1Br ZINC000632011063 492910371 /nfs/dbraw/zinc/91/03/71/492910371.db2.gz MOPRFTFMZMKVQS-SECBINFHSA-N -1 3 359.267 0.722 10 0 FCAEHM CCCS(=O)(=O)N1CCC([N-]S(=O)(=O)c2cscn2)CC1 ZINC000645469165 492910421 /nfs/dbraw/zinc/91/04/21/492910421.db2.gz JQZPJCHFCZPGHJ-UHFFFAOYSA-N -1 3 353.491 0.626 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-][C@@](C)(C(N)=O)c1ccccc1)C1CCOCC1 ZINC000645506470 492916242 /nfs/dbraw/zinc/91/62/42/492916242.db2.gz PPPIHLSZIGNDTE-DOTOQJQBSA-N -1 3 370.471 0.748 10 0 FCAEHM O=C1[C@H]([N-]S(=O)(=O)C[C@@H]2CCC2(F)F)CCN1C1CCOCC1 ZINC000632062729 492921742 /nfs/dbraw/zinc/92/17/42/492921742.db2.gz IKJUHEZBQKUFTF-CMPLNLGQSA-N -1 3 352.403 0.731 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]CC(C)(C)S(C)(=O)=O ZINC000632068799 492922434 /nfs/dbraw/zinc/92/24/34/492922434.db2.gz OAYNDTNLYUZLEA-UHFFFAOYSA-N -1 3 363.383 0.540 10 0 FCAEHM Cn1cc(N2CC[C@@H]([N-]S(=O)(=O)CCC[C@H]3CCOC3)C2=O)cn1 ZINC000645546636 492922845 /nfs/dbraw/zinc/92/28/45/492922845.db2.gz AEYIUJRAJJLSOX-GXTWGEPZSA-N -1 3 356.448 0.262 10 0 FCAEHM C[C@@H](CO[C@@H]1CCOC1)[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000632087115 492925846 /nfs/dbraw/zinc/92/58/46/492925846.db2.gz YBPCHFUTGRUENU-DTWKUNHWSA-N -1 3 357.354 0.911 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@@H]2CC(=O)N(C3CC3)C2)coc1C(=O)N(C)C ZINC000645578356 492930952 /nfs/dbraw/zinc/93/09/52/492930952.db2.gz DRVLLDHUAHFNEC-SNVBAGLBSA-N -1 3 355.416 0.331 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@@H](C)CO[C@@H]2CCOC2)coc1C(=O)N(C)C ZINC000645596057 492935690 /nfs/dbraw/zinc/93/56/90/492935690.db2.gz DYYNERMBHOYTSC-CMPLNLGQSA-N -1 3 360.432 0.762 10 0 FCAEHM COC[C@H]([N-]S(=O)(=O)C[C@H]1CN(C)CCO1)c1ccc(F)c(F)c1 ZINC000632180081 492944983 /nfs/dbraw/zinc/94/49/83/492944983.db2.gz LVIQHDUHMWDTTB-DOMZBBRYSA-N -1 3 364.414 0.902 10 0 FCAEHM CCO[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000645650241 492954729 /nfs/dbraw/zinc/95/47/29/492954729.db2.gz XXWHDKRSBMUNDF-RYUDHWBXSA-N -1 3 360.432 0.762 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-][C@H](C(N)=O)c1ccc(F)cc1)C1CCOCC1 ZINC000645653210 492954826 /nfs/dbraw/zinc/95/48/26/492954826.db2.gz KNGKJZDHKACNSH-GJZGRUSLSA-N -1 3 374.434 0.713 10 0 FCAEHM CCO[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000645650239 492954871 /nfs/dbraw/zinc/95/48/71/492954871.db2.gz XXWHDKRSBMUNDF-NWDGAFQWSA-N -1 3 360.432 0.762 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]Cc1ncccc1S(C)(=O)=O)C(C)C ZINC000645688128 492959922 /nfs/dbraw/zinc/95/99/22/492959922.db2.gz UPYKZEUNSACNSC-GFCCVEGCSA-N -1 3 350.462 0.576 10 0 FCAEHM COC[C@H]([N-]S(=O)(=O)C[C@H](OC)C1CCOCC1)[C@H]1CCCO1 ZINC000645687834 492960135 /nfs/dbraw/zinc/96/01/35/492960135.db2.gz XMZVWLJJEGYZGZ-ZNMIVQPWSA-N -1 3 351.465 0.541 10 0 FCAEHM COC[C@H]([N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C)[C@@H]1CCCO1 ZINC000645686768 492960239 /nfs/dbraw/zinc/96/02/39/492960239.db2.gz DUTFBDJAUFPNFK-RYUDHWBXSA-N -1 3 360.432 0.762 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@@H](C)C(=O)N2CCCC2)coc1C(=O)N(C)C ZINC000645691971 492960540 /nfs/dbraw/zinc/96/05/40/492960540.db2.gz IVQHWVOOFUZPKP-NSHDSACASA-N -1 3 357.432 0.579 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]C[C@H](CO)[C@H]2CCOC2)coc1C(=O)N(C)C ZINC000645690476 492960689 /nfs/dbraw/zinc/96/06/89/492960689.db2.gz KWFZNQZHCLRYKR-NWDGAFQWSA-N -1 3 360.432 0.213 10 0 FCAEHM CCO[C@@H]1C[C@](O)(C[N-]S(=O)(=O)[C@H]2CC(=O)N(C3CC3)C2)C1(C)C ZINC000632269022 492961506 /nfs/dbraw/zinc/96/15/06/492961506.db2.gz WIHVTUXNWARDPG-ZENOOKHLSA-N -1 3 360.476 0.235 10 0 FCAEHM COCCn1cc(C[N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)cn1 ZINC000632306341 492969139 /nfs/dbraw/zinc/96/91/39/492969139.db2.gz HNULQJVYEOMANG-UHFFFAOYSA-N -1 3 367.353 0.760 10 0 FCAEHM CO[C@@H]1COCC[C@H]1C[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000645746292 492969334 /nfs/dbraw/zinc/96/93/34/492969334.db2.gz OSWYAUBZVSEMIB-NWDGAFQWSA-N -1 3 360.432 0.620 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@@H]2C[C@H]3CCCCN3C2=O)coc1C(=O)N(C)C ZINC000645752341 492970045 /nfs/dbraw/zinc/97/00/45/492970045.db2.gz SNKQTKSYKDKYLR-VXGBXAGGSA-N -1 3 369.443 0.722 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N[C@@H]3CC[C@@H]4C[C@@H]4C3)cnc21 ZINC000645875867 492985531 /nfs/dbraw/zinc/98/55/31/492985531.db2.gz ZUPYTRJPAOUNIF-OPRDCNLKSA-N -1 3 350.400 0.501 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-][C@@H]1CCCN(CCCO)C1 ZINC000632389159 492989154 /nfs/dbraw/zinc/98/91/54/492989154.db2.gz MGPXQYFYILVRBK-SNVBAGLBSA-N -1 3 370.397 0.564 10 0 FCAEHM CN(C)C1(CS(=O)(=O)[N-]Cc2nn(C)cc2Br)CC1 ZINC000632409741 492992650 /nfs/dbraw/zinc/99/26/50/492992650.db2.gz IOOFXPRAEXVLJP-UHFFFAOYSA-N -1 3 351.270 0.696 10 0 FCAEHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCn2c(CC3CC3)nnc2C1 ZINC000652750892 493015449 /nfs/dbraw/zinc/01/54/49/493015449.db2.gz FUSQMKOZTZJXHD-UHFFFAOYSA-N -1 3 351.366 0.770 10 0 FCAEHM C[C@H](O)[C@@H]([N-]S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1)c1ccccc1F ZINC000632508542 493017295 /nfs/dbraw/zinc/01/72/95/493017295.db2.gz GYVDJRWZRZTYLT-KNHMANMVSA-N -1 3 356.419 0.930 10 0 FCAEHM CCn1c(=O)[n-]c(=O)c2c(C(=O)N[C@H]3C[C@@H](C(N)=O)C3)cc(C(C)C)nc21 ZINC000652797457 493019778 /nfs/dbraw/zinc/01/97/78/493019778.db2.gz MFRIXUWBHMUDDA-AOOOYVTPSA-N -1 3 373.413 0.634 10 0 FCAEHM CO[C@@H](C[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C)[C@H]1CCOC1 ZINC000632546572 493026283 /nfs/dbraw/zinc/02/62/83/493026283.db2.gz UUBUKSNCMVBJEH-WPRPVWTQSA-N -1 3 357.354 0.769 10 0 FCAEHM O=C(N[C@H](CO)CN1CCCC1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000646223161 493030445 /nfs/dbraw/zinc/03/04/45/493030445.db2.gz CJQYYQBDUWVNSL-GOEBONIOSA-N -1 3 361.442 0.570 10 0 FCAEHM C[C@]1(C[N-]S(=O)(=O)[C@H]2CC(=O)N(C3CC3)C2)COc2ccccc2O1 ZINC000632589427 493038506 /nfs/dbraw/zinc/03/85/06/493038506.db2.gz NGPRNNVUGDIPNH-GUYCJALGSA-N -1 3 366.439 0.899 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)NCCC2(CO)CCC2)cn1C ZINC000652935292 493044645 /nfs/dbraw/zinc/04/46/45/493044645.db2.gz HWDHJJOFQXOGBJ-UHFFFAOYSA-N -1 3 358.464 0.066 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]C[C@H](n1cncn1)C(F)(F)F)[C@H]1CCOC1 ZINC000632643362 493056838 /nfs/dbraw/zinc/05/68/38/493056838.db2.gz KCHNWLLJAIFSEH-AXFHLTTASA-N -1 3 372.369 0.352 10 0 FCAEHM O=C(CN1C(=O)Cc2ccccc21)NCCNC(=O)c1ccc([O-])cc1 ZINC000646684323 493083878 /nfs/dbraw/zinc/08/38/78/493083878.db2.gz PRDIZWWHRZWRCS-UHFFFAOYSA-N -1 3 353.378 0.828 10 0 FCAEHM CN1C[C@H]2CCN(C(=O)C[N-]S(=O)(=O)c3c(F)cccc3F)[C@@H]2C1 ZINC000646925960 493127394 /nfs/dbraw/zinc/12/73/94/493127394.db2.gz XNBFNTKUCKXGMS-ZWNOBZJWSA-N -1 3 359.398 0.406 10 0 FCAEHM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)c1 ZINC000646930941 493128727 /nfs/dbraw/zinc/12/87/27/493128727.db2.gz RWASPWSTIGXSII-BXUZGUMPSA-N -1 3 353.444 0.419 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]c1cccc(OCC(N)=O)c1)C1CCOCC1 ZINC000647123791 493168148 /nfs/dbraw/zinc/16/81/48/493168148.db2.gz YWJFVZSSLLQUEN-OAHLLOKOSA-N -1 3 372.443 0.734 10 0 FCAEHM CN(Cc1cnccn1)C(=O)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1 ZINC000681437335 493168730 /nfs/dbraw/zinc/16/87/30/493168730.db2.gz UDNZCAIEEHAWCY-CQSZACIVSA-N -1 3 354.370 0.891 10 0 FCAEHM Cc1nc(CN(C)C(=O)Nc2ccc(C[C@H]3NC(=O)[N-]C3=O)cc2)no1 ZINC000681436265 493168787 /nfs/dbraw/zinc/16/87/87/493168787.db2.gz ZNTPBNHAYVEBGL-GFCCVEGCSA-N -1 3 358.358 0.792 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)c1ccc2c(n1)OCCO2 ZINC000653711305 493170590 /nfs/dbraw/zinc/17/05/90/493170590.db2.gz IEOBCYWFMYZZCG-UHFFFAOYSA-N -1 3 369.424 0.623 10 0 FCAEHM CN1CCN(C(=O)Nc2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)CCC1=O ZINC000666513535 493197767 /nfs/dbraw/zinc/19/77/67/493197767.db2.gz PTCFKKYEAZELPT-ZDUSSCGKSA-N -1 3 359.386 0.133 10 0 FCAEHM CCN1C(=O)N=NC1C1CCN(C(=O)CNC(=O)c2cccc([O-])c2)CC1 ZINC000681766609 493215381 /nfs/dbraw/zinc/21/53/81/493215381.db2.gz QTNFGGIDJKDAGW-UHFFFAOYSA-N -1 3 373.413 0.845 10 0 FCAEHM CC(C)(C)n1nnc(C(=O)[N-]c2nc(CN3CCOCC3)cs2)n1 ZINC000666729118 493221768 /nfs/dbraw/zinc/22/17/68/493221768.db2.gz MFGVUHXQEQUGPS-UHFFFAOYSA-N -1 3 351.436 0.969 10 0 FCAEHM Cc1ccc(Cn2cccc(NC(=O)C(=O)NCc3cnn[n-]3)c2=O)cc1 ZINC000682182512 493276010 /nfs/dbraw/zinc/27/60/10/493276010.db2.gz RSQAEERCBGAZPL-UHFFFAOYSA-N -1 3 366.381 0.578 10 0 FCAEHM CCc1nc(S(=O)(=O)[N-]C[C@]2(CCO)CCOC2)cn1CC1CC1 ZINC000659933021 493304794 /nfs/dbraw/zinc/30/47/94/493304794.db2.gz ABQQCQKOYMGNEW-INIZCTEOSA-N -1 3 357.476 0.923 10 0 FCAEHM CC(C)O[C@]1(CS(=O)(=O)[N-][C@@H](CO)C[C@H](O)C(C)(C)C)CCOC1 ZINC000659960488 493308319 /nfs/dbraw/zinc/30/83/19/493308319.db2.gz OQJMIIIPGKQVCF-IJEWVQPXSA-N -1 3 367.508 0.648 10 0 FCAEHM CC(C)O[C@]1(CS(=O)(=O)[N-][C@@H]2CC[C@H](C)S(=O)(=O)C2)CCOC1 ZINC000659988901 493312669 /nfs/dbraw/zinc/31/26/69/493312669.db2.gz WVHWJDINJNYUCG-BFHYXJOUSA-N -1 3 369.505 0.456 10 0 FCAEHM COc1nnc([N-]C(=O)c2nc(S(C)(=O)=O)n3ccccc23)s1 ZINC000682690898 493317559 /nfs/dbraw/zinc/31/75/59/493317559.db2.gz LUXXUKVFEPAGPX-UHFFFAOYSA-N -1 3 353.385 0.850 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCc2nccnc2C1 ZINC000660086190 493322649 /nfs/dbraw/zinc/32/26/49/493322649.db2.gz DYTLOLUBHOMIMV-UHFFFAOYSA-N -1 3 368.440 0.132 10 0 FCAEHM COCCN(C(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)[C@H]1CCOC1 ZINC000683891749 493376953 /nfs/dbraw/zinc/37/69/53/493376953.db2.gz MJJFQZRFOAUNNT-KSSFIOAISA-N -1 3 361.398 0.619 10 0 FCAEHM O=C(Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1)N1CC[C@]2(CNC(=O)C2)C1 ZINC000683945952 493380544 /nfs/dbraw/zinc/38/05/44/493380544.db2.gz HBAKJMOIOQXODU-UGSOOPFHSA-N -1 3 371.397 0.181 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)NC[C@@H](C)c2ccncc2)cn1C ZINC000674125367 493391746 /nfs/dbraw/zinc/39/17/46/493391746.db2.gz HSMKUKXIXHHFOJ-GFCCVEGCSA-N -1 3 365.459 0.712 10 0 FCAEHM CCC[C@H](C)N1C[C@H](C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)CC1=O ZINC000684079230 493392509 /nfs/dbraw/zinc/39/25/09/493392509.db2.gz NRXIJZBIYCCBOP-JKDFXYPNSA-N -1 3 350.419 0.224 10 0 FCAEHM CN(C)C[C@]1(O)CCCN(C(=O)c2ccccc2[N-]S(C)(=O)=O)C1 ZINC000684176060 493399474 /nfs/dbraw/zinc/39/94/74/493399474.db2.gz STONFQRPGPEBLA-MRXNPFEDSA-N -1 3 355.460 0.587 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CC[C@H](N2CCC2)[C@H](F)C1 ZINC000684180346 493399821 /nfs/dbraw/zinc/39/98/21/493399821.db2.gz CEARGEDRSYETCC-NEPJUHHUSA-N -1 3 361.464 0.671 10 0 FCAEHM CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)c2cc(=O)c3ccccc3[n-]2)C1=O ZINC000674578002 493430008 /nfs/dbraw/zinc/43/00/08/493430008.db2.gz BLKMUYZMIABLET-WLRWDXFRSA-N -1 3 368.393 0.978 10 0 FCAEHM CCN1C(=O)[C@H]2CN(C(=O)c3cc(=O)c4ccccc4[n-]3)CCN2C1=O ZINC000674595278 493431231 /nfs/dbraw/zinc/43/12/31/493431231.db2.gz NTFXHXOZUZBSKP-CQSZACIVSA-N -1 3 354.366 0.637 10 0 FCAEHM CCOc1ccc([C@@H](C)NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)cc1 ZINC000674877010 493453797 /nfs/dbraw/zinc/45/37/97/493453797.db2.gz ZYWNLPDMVVFRHY-GFCCVEGCSA-N -1 3 366.443 0.975 10 0 FCAEHM C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662220383 493497479 /nfs/dbraw/zinc/49/74/79/493497479.db2.gz YGTCGKFCYIYUTJ-RZQQEMMASA-N -1 3 373.453 0.757 10 0 FCAEHM C[C@H](NC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F)C(C)(C)O ZINC000669608630 493513847 /nfs/dbraw/zinc/51/38/47/493513847.db2.gz BAJQIGOGFNCBAQ-VIFPVBQESA-N -1 3 365.402 0.702 10 0 FCAEHM CN1CCC[C@H](NS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000669624859 493514840 /nfs/dbraw/zinc/51/48/40/493514840.db2.gz UTEXJUCNGXJTHG-VIFPVBQESA-N -1 3 356.839 0.893 10 0 FCAEHM CN1CCC[C@H](NS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000669624859 493514842 /nfs/dbraw/zinc/51/48/42/493514842.db2.gz UTEXJUCNGXJTHG-VIFPVBQESA-N -1 3 356.839 0.893 10 0 FCAEHM CC(C)(C(=O)NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)n1cc(N)cn1 ZINC000662569006 493526226 /nfs/dbraw/zinc/52/62/26/493526226.db2.gz UHCFGQDSUVTUTD-SFHVURJKSA-N -1 3 370.413 0.571 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)[C@H]1CN(C)CCO1 ZINC000676238121 493532900 /nfs/dbraw/zinc/53/29/00/493532900.db2.gz DXYMDZISHCXEKF-VXGBXAGGSA-N -1 3 362.473 0.088 10 0 FCAEHM CCN1CC[C@H]([N-]S(=O)(=O)c2ccc(CCNC(C)=O)s2)C1=O ZINC000669985023 493538856 /nfs/dbraw/zinc/53/88/56/493538856.db2.gz YKNVTKCQAQQICS-LBPRGKRZSA-N -1 3 359.473 0.326 10 0 FCAEHM Cc1n[nH]cc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CC2CC1(C)C2 ZINC000662842858 493546363 /nfs/dbraw/zinc/54/63/63/493546363.db2.gz FAFXVTIUGXESEP-UHFFFAOYSA-N -1 3 362.477 0.664 10 0 FCAEHM CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000662903909 493550760 /nfs/dbraw/zinc/55/07/60/493550760.db2.gz HURHFGGEYVLKBA-UHFFFAOYSA-N -1 3 370.494 0.042 10 0 FCAEHM CCc1cc(NC(=O)C(=O)NCC[N-]S(=O)(=O)c2cccs2)no1 ZINC000676621846 493563305 /nfs/dbraw/zinc/56/33/05/493563305.db2.gz ALTREEHUUCXFAZ-UHFFFAOYSA-N -1 3 372.428 0.332 10 0 FCAEHM O=c1[n-]c(C2CCN(C[C@H](O)COc3ccc4c(c3)OCO4)CC2)n[nH]1 ZINC000676634783 493564012 /nfs/dbraw/zinc/56/40/12/493564012.db2.gz PBJJTEBQUXWPIK-LBPRGKRZSA-N -1 3 362.386 0.858 10 0 FCAEHM CC(C)n1cnc(S(=O)(=O)[N-][C@H]2CCN(C3CCOCC3)C2=O)c1 ZINC000677143966 493586352 /nfs/dbraw/zinc/58/63/52/493586352.db2.gz ANFCRLJUKJOOHV-ZDUSSCGKSA-N -1 3 356.448 0.522 10 0 FCAEHM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCOC3(CNC3)C2)o1 ZINC000663486916 493592825 /nfs/dbraw/zinc/59/28/25/493592825.db2.gz WDZXZVTXPFHSJZ-UHFFFAOYSA-N -1 3 357.432 0.171 10 0 FCAEHM O=S(=O)([N-]CCCN1CCCS1(=O)=O)c1cncc(Cl)c1 ZINC000677239023 493592959 /nfs/dbraw/zinc/59/29/59/493592959.db2.gz LCKOKMLLRBVHSJ-UHFFFAOYSA-N -1 3 353.853 0.439 10 0 FCAEHM O=C([O-])[C@@H](CNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12)C1CCC1 ZINC000663628676 493606726 /nfs/dbraw/zinc/60/67/26/493606726.db2.gz GZFIGGDEXWZXOQ-ZNMIVQPWSA-N -1 3 351.447 0.737 10 0 FCAEHM C[C@@H](CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1)N1CCC[C@@H](C)C1 ZINC000663632559 493607238 /nfs/dbraw/zinc/60/72/38/493607238.db2.gz KBSKNRMEERVPIU-VNHYZAJKSA-N -1 3 353.463 0.840 10 0 FCAEHM O=C([O-])[C@H](CNC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1)C1CCC1 ZINC000663633359 493607278 /nfs/dbraw/zinc/60/72/78/493607278.db2.gz PGYNGOORQREDKS-HUUCEWRRSA-N -1 3 351.447 0.690 10 0 FCAEHM CN(C)CCN(Cc1ccco1)C(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663633908 493607994 /nfs/dbraw/zinc/60/79/94/493607994.db2.gz HSHBWJMUALPDGT-HNNXBMFYSA-N -1 3 365.430 0.787 10 0 FCAEHM C[C@@]1(c2ccc(CNC(=O)N3CC[C@@]4(O)C[C@H]4C3)cc2)NC(=O)[N-]C1=O ZINC000663920968 493625717 /nfs/dbraw/zinc/62/57/17/493625717.db2.gz YQNQXYZMXYZHFV-DOPJRALCSA-N -1 3 358.398 0.408 10 0 FCAEHM CCN1CCN(Cc2ccc(CNC(=O)c3n[nH]c(=O)[n-]c3=O)cc2)CC1 ZINC000677948338 493626332 /nfs/dbraw/zinc/62/63/32/493626332.db2.gz PJBAOUFGUVYKEX-UHFFFAOYSA-N -1 3 372.429 0.350 10 0 FCAEHM CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)NCc3ccc([O-])c(F)c3)C[C@H]21 ZINC000664191753 493643680 /nfs/dbraw/zinc/64/36/80/493643680.db2.gz BTMSSHVBRXXLSH-GDLCADMTSA-N -1 3 358.391 0.485 10 0 FCAEHM NC(=O)COCC[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000671176757 493646669 /nfs/dbraw/zinc/64/66/69/493646669.db2.gz BQUOQHYFVKSLON-UHFFFAOYSA-N -1 3 371.640 0.883 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)N1CC[C@H]2COC[C@H]2C1 ZINC000664501039 493663924 /nfs/dbraw/zinc/66/39/24/493663924.db2.gz FMWKSKDZOGCHGT-NWDGAFQWSA-N -1 3 359.473 0.704 10 0 FCAEHM C[C@@H]1CCN(S(=O)(=O)[N-]c2cnn(CC(=O)NC3CCCC3)c2)C1 ZINC000679183439 493671363 /nfs/dbraw/zinc/67/13/63/493671363.db2.gz DGZRGFLMHKSHJQ-GFCCVEGCSA-N -1 3 355.464 0.940 10 0 FCAEHM Cn1cc(CCc2nc(-c3cccc([C@@]4(C)NC(=O)[N-]C4=O)c3)no2)nn1 ZINC000664780292 493683439 /nfs/dbraw/zinc/68/34/39/493683439.db2.gz PPTXURBOCLCKGV-QGZVFWFLSA-N -1 3 367.369 0.705 10 0 FCAEHM CN(C)c1ncc(CN(C)C(=O)C[N-]S(=O)(=O)c2cccs2)cn1 ZINC000679646697 493690598 /nfs/dbraw/zinc/69/05/98/493690598.db2.gz ZBSCKCWVRXVZHA-UHFFFAOYSA-N -1 3 369.472 0.541 10 0 FCAEHM COc1ccc([O-])c(C(=O)N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)c1 ZINC000671585086 493692833 /nfs/dbraw/zinc/69/28/33/493692833.db2.gz ZABIWMQDUPEIKT-RISCZKNCSA-N -1 3 352.362 0.812 10 0 FCAEHM CNC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]Cc2cn(C)nn2)c1OC ZINC000671682597 493702589 /nfs/dbraw/zinc/70/25/89/493702589.db2.gz PGFMRUGWVGMDCB-UHFFFAOYSA-N -1 3 373.822 0.315 10 0 FCAEHM CCn1cnc(S(=O)(=O)N2CCC[C@@H]2C[C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000671698319 493703316 /nfs/dbraw/zinc/70/33/16/493703316.db2.gz CWUOJKGJJVRGRS-QMTHXVAHSA-N -1 3 355.420 0.044 10 0 FCAEHM CCO[C@@H]1COCC[C@@H]1NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000680545423 493723102 /nfs/dbraw/zinc/72/31/02/493723102.db2.gz DVTGMZJPDCDIQT-FPMFFAJLSA-N -1 3 374.434 0.803 10 0 FCAEHM O=C(NCCc1c[nH]c2ccc(F)cc12)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000680607081 493726364 /nfs/dbraw/zinc/72/63/64/493726364.db2.gz MGOKBQVBOACSEP-CQSZACIVSA-N -1 3 359.361 0.795 10 0 FCAEHM O=C(NCCc1c[nH]c2ccc(F)cc12)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000680607080 493726466 /nfs/dbraw/zinc/72/64/66/493726466.db2.gz MGOKBQVBOACSEP-AWEZNQCLSA-N -1 3 359.361 0.795 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@H](CO)[C@H]1CCCOC1 ZINC000665654054 493729434 /nfs/dbraw/zinc/72/94/34/493729434.db2.gz INRKDAGBJDZHCG-SGMGOOAPSA-N -1 3 374.434 0.396 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)N[C@H]1CCNC(=O)CC1 ZINC000665658280 493729843 /nfs/dbraw/zinc/72/98/43/493729843.db2.gz NBMLHAVCTZQDEA-LLVKDONJSA-N -1 3 356.382 0.043 10 0 FCAEHM CCc1ncc(S(=O)(=O)[N-]CCCN2CCCS2(=O)=O)s1 ZINC000680859152 493732350 /nfs/dbraw/zinc/73/23/50/493732350.db2.gz XYNDXJFBNAIHIS-UHFFFAOYSA-N -1 3 353.491 0.409 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@H]1CCc2cncn2C1 ZINC000672153253 493737994 /nfs/dbraw/zinc/73/79/94/493737994.db2.gz VGXUJKGVRUNQDN-QMMMGPOBSA-N -1 3 368.191 0.039 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)c2nnn(C(C)(C)C)n2)s1 ZINC000665893311 493743133 /nfs/dbraw/zinc/74/31/33/493743133.db2.gz YTHJHJUJHYFGIH-UHFFFAOYSA-N -1 3 358.449 0.328 10 0 FCAEHM O=C(c1c[n-]c2c(Cl)cccc2c1=O)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000412301468 534650038 /nfs/dbraw/zinc/65/00/38/534650038.db2.gz JZKRJSSZHYVUII-KRWDZBQOSA-N -1 3 374.784 0.996 10 0 FCAEHM CCc1ccc(OCC(=O)N2CCO[C@@H](CN(C)CC(=O)[O-])C2)cc1 ZINC000275844829 524001679 /nfs/dbraw/zinc/00/16/79/524001679.db2.gz XXYGPFPWVSXZBP-INIZCTEOSA-N -1 3 350.415 0.872 10 0 FCAEHM COC(=O)CC1(NC(=O)c2ccc(OC)cc2[O-])CCS(=O)(=O)CC1 ZINC000439367137 536440719 /nfs/dbraw/zinc/44/07/19/536440719.db2.gz FJAZJTSVWWAZAO-UHFFFAOYSA-N -1 3 371.411 0.641 10 0 FCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412291866 527732312 /nfs/dbraw/zinc/73/23/12/527732312.db2.gz SSRNZSPRQPLMAR-VHSXEESVSA-N -1 3 350.371 0.781 10 0 FCAEHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCO[C@@H]([C@@H](C)O)C1 ZINC000411960023 528275003 /nfs/dbraw/zinc/27/50/03/528275003.db2.gz VYKZHZXMHFIZDI-MWLCHTKSSA-N -1 3 356.400 0.472 10 0 FCAEHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCO[C@@H]([C@H](C)O)C1 ZINC000411960014 528275439 /nfs/dbraw/zinc/27/54/39/528275439.db2.gz VYKZHZXMHFIZDI-GXSJLCMTSA-N -1 3 356.400 0.472 10 0 FCAEHM CN(C(=O)Cn1cc(Br)c(=O)[n-]c1=O)[C@H]1CC[C@H](O)CC1 ZINC000440027190 536012442 /nfs/dbraw/zinc/01/24/42/536012442.db2.gz MMXJGKUCBYRFJT-KYZUINATSA-N -1 3 360.208 0.473 10 0 FCAEHM CCc1c(C(=O)NCCNC(=O)c2ccc([O-])cc2)[nH]c(C)c1C(N)=O ZINC000436678055 536058800 /nfs/dbraw/zinc/05/88/00/536058800.db2.gz ARNGJHRNJFVUMD-UHFFFAOYSA-N -1 3 358.398 0.850 10 0 FCAEHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]CC(=O)NCc1ccco1 ZINC000443094304 536724076 /nfs/dbraw/zinc/72/40/76/536724076.db2.gz OECRPBINFIXMFK-UHFFFAOYSA-N -1 3 370.358 0.800 10 0 FCAEHM CS(=O)(=O)CCCS(=O)(=O)[N-][C@@H](CO)c1c(F)cccc1F ZINC000443276214 536920598 /nfs/dbraw/zinc/92/05/98/536920598.db2.gz XWPFNHHDCCJVQX-NSHDSACASA-N -1 3 357.400 0.352 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC000329014257 546530179 /nfs/dbraw/zinc/53/01/79/546530179.db2.gz FRYNPVZGPXQNAX-NWDGAFQWSA-N -1 3 369.418 0.326 10 0 FCAEHM O=C1[N-]C(=O)[C@@]2(CCN(S(=O)(=O)CCCOCc3ccccc3)C2)N1 ZINC000310957124 546576844 /nfs/dbraw/zinc/57/68/44/546576844.db2.gz CQWIUZJUHGHZKV-INIZCTEOSA-N -1 3 367.427 0.207 10 0 FCAEHM COC(=O)c1sc2[n-]c(CN3CN(C)C(=O)[C@H]3C)nc(=O)c2c1C ZINC000592191001 546612627 /nfs/dbraw/zinc/61/26/27/546612627.db2.gz UMDQKXTUNSFBNJ-MRVPVSSYSA-N -1 3 350.400 0.700 10 0 FCAEHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCNC(=O)CC2)c(F)c1 ZINC000593609932 546727238 /nfs/dbraw/zinc/72/72/38/546727238.db2.gz ZTYVQECXXPYIJD-NSHDSACASA-N -1 3 358.391 0.949 10 0 FCAEHM COC(=O)CC1(NC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)CC1 ZINC000593791791 546751896 /nfs/dbraw/zinc/75/18/96/546751896.db2.gz MNJKMIDIYAPVLN-JTQLQIEISA-N -1 3 358.391 0.704 10 0 FCAEHM COC(=O)[C@@H](CCF)NC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000593802178 546752656 /nfs/dbraw/zinc/75/26/56/546752656.db2.gz RWTMDTLHKQEJAH-BDJLRTHQSA-N -1 3 351.334 0.372 10 0 FCAEHM COC(=O)CC1(CS(=O)(=O)[N-][C@@H]2Cc3ccccc3N(C)C2=O)CC1 ZINC000594803138 546827504 /nfs/dbraw/zinc/82/75/04/546827504.db2.gz JSRZTUIISCDMJM-CYBMUJFWSA-N -1 3 366.439 0.837 10 0 FCAEHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]C[C@@H](OC)[C@@H]1CCOC1 ZINC000594805083 546828499 /nfs/dbraw/zinc/82/84/99/546828499.db2.gz SQYCHXMYWJJJQV-ZWNOBZJWSA-N -1 3 361.391 0.942 10 0 FCAEHM COC(=O)c1ccc(CS(=O)(=O)[N-][C@H]2CCO[C@H]2C(=O)OC)cc1 ZINC000594818857 546832139 /nfs/dbraw/zinc/83/21/39/546832139.db2.gz PIOAGTUETPXICY-QWHCGFSZSA-N -1 3 357.384 0.223 10 0 FCAEHM COCc1nc(C[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2)n[nH]1 ZINC000594828178 546838240 /nfs/dbraw/zinc/83/82/40/546838240.db2.gz SOGILHGMSFITRP-UHFFFAOYSA-N -1 3 374.806 0.870 10 0 FCAEHM Cn1ccnc1CN1CCC[C@@H]([N-]S(=O)(=O)c2cccs2)C1=O ZINC000541190959 547027140 /nfs/dbraw/zinc/02/71/40/547027140.db2.gz QSTXHZGODIAVTB-LLVKDONJSA-N -1 3 354.457 0.951 10 0 FCAEHM COc1ccc(-n2cc(C[N-]S(=O)(=O)c3cn(C)nc3C)nn2)cc1 ZINC000553424461 547279079 /nfs/dbraw/zinc/27/90/79/547279079.db2.gz CGAKCGZMOCUJGY-UHFFFAOYSA-N -1 3 362.415 0.796 10 0 FCAEHM C[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)C1(S(C)(=O)=O)CC1 ZINC000553475186 547282094 /nfs/dbraw/zinc/28/20/94/547282094.db2.gz ALKMATZCLHZXMD-SNVBAGLBSA-N -1 3 360.457 0.754 10 0 FCAEHM COCCN1CCC[C@@H]1C[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000076669815 674383974 /nfs/dbraw/zinc/38/39/74/674383974.db2.gz PXUNYSYRIBXXFW-LLVKDONJSA-N -1 3 350.872 0.771 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-][C@H](CO)C2CC2)c1I ZINC000866850798 663145282 /nfs/dbraw/zinc/14/52/82/663145282.db2.gz WRYOVDSQAXNETL-SSDOTTSWSA-N -1 3 371.200 0.074 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)CCOC[C@H]3CCCO3)CC2)n1 ZINC000899499808 665943107 /nfs/dbraw/zinc/94/31/07/665943107.db2.gz FGAGZHDCGSVPPM-CQSZACIVSA-N -1 3 350.419 0.725 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](COC)[C@H]2CCCOC2)ccc1F ZINC000899652569 665950129 /nfs/dbraw/zinc/95/01/29/665950129.db2.gz DCNLURVYQYBVQD-JSGCOSHPSA-N -1 3 374.434 0.905 10 0 FCAEHM CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cnn(C)c1I ZINC000867164851 670031665 /nfs/dbraw/zinc/03/16/65/670031665.db2.gz KYYPFSPUGCHVIO-BQBZGAKWSA-N -1 3 373.216 0.726 10 0 FCAEHM C[C@@H](OC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C(N)=O ZINC000728724085 665157557 /nfs/dbraw/zinc/15/75/57/665157557.db2.gz HKFSPJXQORYJER-MRVPVSSYSA-N -1 3 355.347 0.985 10 0 FCAEHM C[C@@H](CO[C@H]1CCOC1)[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000866942496 665223240 /nfs/dbraw/zinc/22/32/40/665223240.db2.gz UNHPQGXMETVMEN-IUCAKERBSA-N -1 3 368.253 0.655 10 0 FCAEHM CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000729355798 665294834 /nfs/dbraw/zinc/29/48/34/665294834.db2.gz KDHBRAIZEWKEKJ-ZDUSSCGKSA-N -1 3 369.418 0.617 10 0 FCAEHM C[C@]1(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)CCCS1(=O)=O ZINC000906990885 666086666 /nfs/dbraw/zinc/08/66/66/666086666.db2.gz HOYLUOUKHOJUFC-QGZVFWFLSA-N -1 3 366.439 0.644 10 0 FCAEHM CN1CCN(Cc2ccc(CNC(=O)N[C@H](CF)C(=O)[O-])cc2)CC1 ZINC000908779092 666217724 /nfs/dbraw/zinc/21/77/24/666217724.db2.gz CVTNYMYGWLTMLR-OAHLLOKOSA-N -1 3 352.410 0.656 10 0 FCAEHM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-][C@]12CCC[C@@]1(OC)OCC2 ZINC000921316158 666432034 /nfs/dbraw/zinc/43/20/34/666432034.db2.gz XQZDQACSQZPUGC-VHDGCEQUSA-N -1 3 362.448 0.534 10 0 FCAEHM CN1CCOC[C@]1(CO)C[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000921339184 666436586 /nfs/dbraw/zinc/43/65/86/666436586.db2.gz YUAFVUUKZCYKDJ-GFCCVEGCSA-N -1 3 369.365 0.072 10 0 FCAEHM CN1CCOC[C@@]1(CO)C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000921339307 666436781 /nfs/dbraw/zinc/43/67/81/666436781.db2.gz AZRWZHULKRPHNV-ZDUSSCGKSA-N -1 3 369.270 0.965 10 0 FCAEHM Cc1cc(S(=O)(=O)[N-]C[C@]2(CO)COCCN2C)c(F)cc1F ZINC000921340194 666437355 /nfs/dbraw/zinc/43/73/55/666437355.db2.gz XTNMTYAAUOQVCQ-AWEZNQCLSA-N -1 3 350.387 0.245 10 0 FCAEHM CN1C[C@H]2CC[C@@H](C1)N2C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000913538822 666533334 /nfs/dbraw/zinc/53/33/34/666533334.db2.gz QMHWZQIXTIRCPG-PHIMTYICSA-N -1 3 359.398 0.548 10 0 FCAEHM CC(F)(F)C(C)(C)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCCO1 ZINC000349471183 666556497 /nfs/dbraw/zinc/55/64/97/666556497.db2.gz UGTGGYBDHVGGGD-UHFFFAOYSA-N -1 3 364.436 0.697 10 0 FCAEHM CCC(=O)N1CSC[C@H]1C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000730312079 666626914 /nfs/dbraw/zinc/62/69/14/666626914.db2.gz OTXCJPLSCGOFDX-VIFPVBQESA-N -1 3 356.425 0.859 10 0 FCAEHM C[C@@H](C[N-]S(=O)(=O)c1occc1Br)N1CCN(C)CC1 ZINC000914173683 666719439 /nfs/dbraw/zinc/71/94/39/666719439.db2.gz WADQBIDWDQOFMG-JTQLQIEISA-N -1 3 366.281 0.956 10 0 FCAEHM CC(C)CN(C(=O)COC(=O)c1cncc([O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000732392872 666870767 /nfs/dbraw/zinc/87/07/67/666870767.db2.gz ILEZCCLEZVUQEB-CYBMUJFWSA-N -1 3 370.427 0.616 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CN3CCN2CCC3)c(F)c1 ZINC000917061043 667049954 /nfs/dbraw/zinc/04/99/54/667049954.db2.gz BWBHREIOQCFWJA-ZDUSSCGKSA-N -1 3 371.434 0.281 10 0 FCAEHM O=S(=O)([N-]C[C@H]1CN2CCN1CCC2)c1c[nH]nc1C(F)(F)F ZINC000917062178 667050620 /nfs/dbraw/zinc/05/06/20/667050620.db2.gz UGDJYWIWJFOQRD-VIFPVBQESA-N -1 3 353.370 0.097 10 0 FCAEHM O=S(=O)([N-]CC12COCCN1CCOC2)c1ccc(Cl)cc1F ZINC000918402151 667119378 /nfs/dbraw/zinc/11/93/78/667119378.db2.gz BGMSBEDGMMASKR-UHFFFAOYSA-N -1 3 364.826 0.859 10 0 FCAEHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@H]2C[C@@H]3COC[C@@H]3O2)c1 ZINC000921622362 667154348 /nfs/dbraw/zinc/15/43/48/667154348.db2.gz ZXAKBBHKMYWCCX-WZRBSPASSA-N -1 3 359.375 0.695 10 0 FCAEHM CN(C)[C@@H](CC[N-]S(=O)(=O)N=S1(=O)CCCC1)C(F)(F)F ZINC000921636476 667161165 /nfs/dbraw/zinc/16/11/65/667161165.db2.gz YZSKGQYRSQSNKH-VIFPVBQESA-N -1 3 351.416 0.965 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C(CF)CF)cc1C(=O)OC ZINC000919825636 667202361 /nfs/dbraw/zinc/20/23/61/667202361.db2.gz PVPJOYNZJRPPKD-UHFFFAOYSA-N -1 3 351.327 0.846 10 0 FCAEHM CN1C[C@@H](CC[N-]S(=O)(=O)c2ccc(Br)cn2)CC1=O ZINC000921066966 667264819 /nfs/dbraw/zinc/26/48/19/667264819.db2.gz CPABESYKYWQDCN-VIFPVBQESA-N -1 3 362.249 0.991 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)nc1Cl ZINC000921723840 667468381 /nfs/dbraw/zinc/46/83/81/667468381.db2.gz KGVHEUHIUQMYEJ-CBLAIPOGSA-N -1 3 353.853 0.460 10 0 FCAEHM CC1(C[N-]S(=O)(=O)CCNC(=O)OCc2ccccc2)OCCCO1 ZINC000752827607 667530141 /nfs/dbraw/zinc/53/01/41/667530141.db2.gz UNKDXAKYHIOOFK-UHFFFAOYSA-N -1 3 372.443 0.985 10 0 FCAEHM COC(=O)c1oc(S(=O)(=O)[N-]C[C@H]2CCN2C2CCOCC2)cc1C ZINC000921912862 667539645 /nfs/dbraw/zinc/53/96/45/667539645.db2.gz WSFPPSXVJQABDP-CYBMUJFWSA-N -1 3 372.443 0.906 10 0 FCAEHM Cn1nccc1[C@@H](O)C[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000921963741 667554656 /nfs/dbraw/zinc/55/46/56/667554656.db2.gz FERQEQVHXTXANW-VIFPVBQESA-N -1 3 350.322 0.846 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(CCOC)nn2C)ccc1F ZINC000768343016 668078607 /nfs/dbraw/zinc/07/86/07/668078607.db2.gz AFHBAMVTFOXSDG-UHFFFAOYSA-N -1 3 370.406 0.909 10 0 FCAEHM COC[C@](C)(CO)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000768456397 668082972 /nfs/dbraw/zinc/08/29/72/668082972.db2.gz NJZRTOAGSSAIEM-HNNXBMFYSA-N -1 3 360.407 0.394 10 0 FCAEHM CNS(=O)(=O)CCCOC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000777061476 668306576 /nfs/dbraw/zinc/30/65/76/668306576.db2.gz GZNOIRZTZVMKNR-ZDUSSCGKSA-N -1 3 370.427 0.479 10 0 FCAEHM CCN1CCN(c2ccc(C(=O)[N-]S(=O)(=O)[C@H]3CCOC3)cc2)CC1 ZINC000777319622 668319865 /nfs/dbraw/zinc/31/98/65/668319865.db2.gz JTLWYYYCFDXWTK-INIZCTEOSA-N -1 3 367.471 0.677 10 0 FCAEHM CS(=O)(=O)N1CCC[C@H]1C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000782481464 668562757 /nfs/dbraw/zinc/56/27/57/668562757.db2.gz CRLMARYOCKNLEJ-NSHDSACASA-N -1 3 367.383 0.909 10 0 FCAEHM Cn1ncc(C(=O)COC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)n1 ZINC000791826791 668894692 /nfs/dbraw/zinc/89/46/92/668894692.db2.gz QESLGPGYOZIHKP-UHFFFAOYSA-N -1 3 356.335 0.365 10 0 FCAEHM O=C(N[C@H]1[C@@H]2COC[C@@H]21)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000794227403 668945050 /nfs/dbraw/zinc/94/50/50/668945050.db2.gz OJBHFRGFJWOHKS-QRJZZWFUSA-N -1 3 358.366 0.780 10 0 FCAEHM CS(=O)(=O)N1CCCC[C@@H]1CN/C=C1\C(=O)[N-]C(=O)c2ccccc21 ZINC000794736973 668993849 /nfs/dbraw/zinc/99/38/49/668993849.db2.gz UNOHCGBSQBWNQF-QJMZJAKPSA-N -1 3 363.439 0.701 10 0 FCAEHM O=C([N-]CC1CCN(C(=O)[C@@H](O)C2CCOCC2)CC1)C(F)(F)F ZINC000799022204 669275772 /nfs/dbraw/zinc/27/57/72/669275772.db2.gz CJOBZZGIHCRRCM-LBPRGKRZSA-N -1 3 352.353 0.691 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)o1 ZINC000511326231 669341470 /nfs/dbraw/zinc/34/14/70/669341470.db2.gz NDHVATXFTQYBRX-RYUDHWBXSA-N -1 3 350.462 0.974 10 0 FCAEHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]CCCc2ncn(C)n2)c1F ZINC000827930761 669603043 /nfs/dbraw/zinc/60/30/43/669603043.db2.gz QJCWKRDBQYAFOZ-UHFFFAOYSA-N -1 3 374.369 0.791 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-]C[C@H](O)c2ccccn2)c1Br ZINC000867055585 669645838 /nfs/dbraw/zinc/64/58/38/669645838.db2.gz JJLLXINLFYAEQT-VIFPVBQESA-N -1 3 361.221 0.590 10 0 FCAEHM CC1(C)CN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)CCS1(=O)=O ZINC000813142701 669828779 /nfs/dbraw/zinc/82/87/79/669828779.db2.gz MSASYJAUTJMWFD-UHFFFAOYSA-N -1 3 355.342 0.542 10 0 FCAEHM Cn1ncc(CCC(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)n1 ZINC000831236920 669836791 /nfs/dbraw/zinc/83/67/91/669836791.db2.gz IGLJBERYQOEZNO-UHFFFAOYSA-N -1 3 373.385 0.121 10 0 FCAEHM CCOC(=O)[C@H](CO)[N-]C(=O)C(F)(F)n1cc(-c2ccccc2)nn1 ZINC000831519014 669849410 /nfs/dbraw/zinc/84/94/10/669849410.db2.gz IWPDJYAMVIIARP-LBPRGKRZSA-N -1 3 354.313 0.535 10 0 FCAEHM COC(=O)c1ccoc1S(=O)(=O)[N-]C(C)(C)CCN1CCN(C)CC1 ZINC000867120514 669996081 /nfs/dbraw/zinc/99/60/81/669996081.db2.gz CVCPPYVWZUENSX-UHFFFAOYSA-N -1 3 373.475 0.761 10 0 FCAEHM COC[C@@H](CC[N-]S(=O)(=O)c1cn(C)nc1Br)OC ZINC000867497057 670524633 /nfs/dbraw/zinc/52/46/33/670524633.db2.gz LYGKJWUCQILKPS-MRVPVSSYSA-N -1 3 356.242 0.512 10 0 FCAEHM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]C[C@@H](C)Cn1ccnc1 ZINC000840950039 670528759 /nfs/dbraw/zinc/52/87/59/670528759.db2.gz DWPYYUBSVGHWSW-SNVBAGLBSA-N -1 3 355.420 0.706 10 0 FCAEHM C[C@H](CC(=O)N[C@H]1C[C@@](C)(O)C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000841450778 670560649 /nfs/dbraw/zinc/56/06/49/670560649.db2.gz SVBJBQVWENRMHZ-RULNRJAQSA-N -1 3 361.851 0.822 10 0 FCAEHM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CCC[C@H]2CN(C(C)=O)C[C@H]21 ZINC000867273297 670610658 /nfs/dbraw/zinc/61/06/58/670610658.db2.gz CLDDYGLBAIQJRX-KDRJOKAESA-N -1 3 351.494 0.586 10 0 FCAEHM C[C@@H]1C(=O)N(C)CN1C(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000844101832 670896147 /nfs/dbraw/zinc/89/61/47/670896147.db2.gz CUNNVUWTIRTPRB-MRVPVSSYSA-N -1 3 373.381 0.666 10 0 FCAEHM CCNC(=O)C(C)(C)[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867376486 670957986 /nfs/dbraw/zinc/95/79/86/670957986.db2.gz CPKDSEKPPJUUEB-UHFFFAOYSA-N -1 3 353.242 0.376 10 0 FCAEHM Cc1cnc(CC[N-]S(=O)(=O)c2cn(C)nc2Br)cn1 ZINC000867378292 670961404 /nfs/dbraw/zinc/96/14/04/670961404.db2.gz RXMLLKUGOCMHHJ-UHFFFAOYSA-N -1 3 360.237 0.802 10 0 FCAEHM COc1nnc(NC(=O)[C@]23COC[C@H]2CN(C(=O)OC(C)(C)C)C3)[n-]1 ZINC000845912665 671050588 /nfs/dbraw/zinc/05/05/88/671050588.db2.gz QULWRXUMGGFBGV-RFAUZJTJSA-N -1 3 353.379 0.635 10 0 FCAEHM COc1nc(NC(=O)[C@]23COC[C@H]2CN(C(=O)OC(C)(C)C)C3)n[n-]1 ZINC000845912665 671050591 /nfs/dbraw/zinc/05/05/91/671050591.db2.gz QULWRXUMGGFBGV-RFAUZJTJSA-N -1 3 353.379 0.635 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@]23COC[C@H]2CN(C(=O)OC(C)(C)C)C3)n1 ZINC000845912665 671050595 /nfs/dbraw/zinc/05/05/95/671050595.db2.gz QULWRXUMGGFBGV-RFAUZJTJSA-N -1 3 353.379 0.635 10 0 FCAEHM CCON(C)C(=O)C[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000846004156 671065962 /nfs/dbraw/zinc/06/59/62/671065962.db2.gz GNAMJLUKMLPIHA-UHFFFAOYSA-N -1 3 352.210 0.532 10 0 FCAEHM CC(C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867407116 671091588 /nfs/dbraw/zinc/09/15/88/671091588.db2.gz NIBYWPOLKPVEDR-SSDOTTSWSA-N -1 3 353.242 0.374 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](CCF)C(=O)OC)ccc1F ZINC000846426980 671108620 /nfs/dbraw/zinc/10/86/20/671108620.db2.gz VNNVOQPCAYIQLN-JTQLQIEISA-N -1 3 350.343 0.365 10 0 FCAEHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C[C@H]1CN(C2CC2)C(=O)O1 ZINC000848512644 671282957 /nfs/dbraw/zinc/28/29/57/671282957.db2.gz JLKAVDKRXOLMDC-JTQLQIEISA-N -1 3 372.374 0.874 10 0 FCAEHM COC(=O)c1nscc1S(=O)(=O)[N-]C[C@H]1CN(C2CC2)C(=O)O1 ZINC000848515128 671283392 /nfs/dbraw/zinc/28/33/92/671283392.db2.gz WQZBSCMLNXASMR-QMMMGPOBSA-N -1 3 361.401 0.191 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]C[C@]12OCCC[C@H]1C2(F)F)[C@H]1CCOC1 ZINC000849459785 671349384 /nfs/dbraw/zinc/34/93/84/671349384.db2.gz VJEIAKBXJDWECZ-LOWDOPEQSA-N -1 3 355.403 0.772 10 0 FCAEHM Cc1cc(=O)[n-]c(CN(CCNC(=O)OC(C)(C)C)C[C@H](O)CO)n1 ZINC000852180795 671493297 /nfs/dbraw/zinc/49/32/97/671493297.db2.gz YVWFEMJFPZRAGQ-LBPRGKRZSA-N -1 3 356.423 0.171 10 0 FCAEHM CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)NCCCc2cc(=O)[nH][n-]2)C1 ZINC000854485015 671580825 /nfs/dbraw/zinc/58/08/25/671580825.db2.gz SUYXKOJQTLGMMB-CYBMUJFWSA-N -1 3 356.398 0.964 10 0 FCAEHM CS(=O)(=O)CC1([N-]S(=O)(=O)c2cccc(Cl)c2F)COC1 ZINC000903177031 675918744 /nfs/dbraw/zinc/91/87/44/675918744.db2.gz YFTWTUWYNRIGES-UHFFFAOYSA-N -1 3 357.812 0.571 10 0 FCAEHM C[C@@H](CC(=O)N1CCC12COC2)[N-]S(=O)(=O)c1cccnc1Cl ZINC000854837709 671607594 /nfs/dbraw/zinc/60/75/94/671607594.db2.gz PIZDTLVEMRDUQW-JTQLQIEISA-N -1 3 359.835 0.793 10 0 FCAEHM O=C(N[C@H]1CCNC(=O)CC1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000854960582 671619489 /nfs/dbraw/zinc/61/94/89/671619489.db2.gz KIWKWMPKBLUMBI-LLVKDONJSA-N -1 3 369.418 0.665 10 0 FCAEHM CCOC(=O)[C@]1(F)CN(C(=O)c2[nH]c(=O)[n-]c(=O)c2N)CC12CCC2 ZINC000855246932 671632072 /nfs/dbraw/zinc/63/20/72/671632072.db2.gz XGGOHKYVXSJHCD-OAHLLOKOSA-N -1 3 354.338 0.368 10 0 FCAEHM CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3nnc4ccccc4c3[O-])C[C@H]21 ZINC000855958916 671672510 /nfs/dbraw/zinc/67/25/10/671672510.db2.gz PZJXZULDRNZQCP-UHTWSYAYSA-N -1 3 363.395 0.219 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N[C@H]1C[C@@H](O)c2ccccc21 ZINC000857318528 671724943 /nfs/dbraw/zinc/72/49/43/671724943.db2.gz QNUFPNBETMJMLI-UONOGXRCSA-N -1 3 365.411 0.864 10 0 FCAEHM CN1CCOC[C@H]1CNC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000858838240 671779239 /nfs/dbraw/zinc/77/92/39/671779239.db2.gz BWEGJEMNEKPSBK-NWDGAFQWSA-N -1 3 366.384 0.417 10 0 FCAEHM CN1CCOC[C@@H]1CNC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000858838241 671779269 /nfs/dbraw/zinc/77/92/69/671779269.db2.gz BWEGJEMNEKPSBK-RYUDHWBXSA-N -1 3 366.384 0.417 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]CC[C@H]2CNCCS2(=O)=O)c(F)c1F ZINC000903541848 675941520 /nfs/dbraw/zinc/94/15/20/675941520.db2.gz YDFXFVZFQJYJNU-JTQLQIEISA-N -1 3 368.427 0.328 10 0 FCAEHM CCON(CC)C(=O)C[N-]S(=O)(=O)CC1(C(=O)OC)CCCCC1 ZINC000859271808 671806439 /nfs/dbraw/zinc/80/64/39/671806439.db2.gz FWRRKTDQRAXWAY-UHFFFAOYSA-N -1 3 364.464 0.829 10 0 FCAEHM CCON(CC)C(=O)C[N-]S(=O)(=O)c1cc(C(=O)OC)ccc1F ZINC000859274246 671807211 /nfs/dbraw/zinc/80/72/11/671807211.db2.gz ZKUCUFRGHROFKB-UHFFFAOYSA-N -1 3 362.379 0.691 10 0 FCAEHM CC(C)(C)OC(=O)C(=O)COC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C ZINC000859600286 671839251 /nfs/dbraw/zinc/83/92/51/671839251.db2.gz VUCNNOJIMDLTGH-SNVBAGLBSA-N -1 3 351.421 0.404 10 0 FCAEHM O=C(CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)N1CCCO1 ZINC000862083677 672025476 /nfs/dbraw/zinc/02/54/76/672025476.db2.gz UVIWIACMWGNODX-UHFFFAOYSA-N -1 3 371.390 0.160 10 0 FCAEHM COC[C@@H](C)[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866385261 672268606 /nfs/dbraw/zinc/26/86/06/672268606.db2.gz JHXAUHHJHWJGJH-ZCFIWIBFSA-N -1 3 359.189 0.338 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@@H]2CCCCNC2=O)c(Br)n1 ZINC000866481875 672277050 /nfs/dbraw/zinc/27/70/50/672277050.db2.gz TUDURARFEBFQGN-SSDOTTSWSA-N -1 3 351.226 0.130 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CCCC(=O)NC2CC2)c(Br)n1 ZINC000866502583 672278640 /nfs/dbraw/zinc/27/86/40/672278640.db2.gz HZFYTYFKLBOYBF-UHFFFAOYSA-N -1 3 365.253 0.520 10 0 FCAEHM COC(=O)CCCC[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000866617196 672284747 /nfs/dbraw/zinc/28/47/47/672284747.db2.gz ZCVFABFWDYSQFV-UHFFFAOYSA-N -1 3 354.226 0.804 10 0 FCAEHM CC[S@@](C)(=O)=NS(=O)(=O)[N-]C1CCN(CC(F)(F)F)CC1 ZINC000866642482 672285373 /nfs/dbraw/zinc/28/53/73/672285373.db2.gz MJPNQPANFHQJLS-HXUWFJFHSA-N -1 3 351.416 0.965 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CC(=O)NC2CCCC2)c(Br)n1 ZINC000866672470 672285965 /nfs/dbraw/zinc/28/59/65/672285965.db2.gz KAEFZVZCDLCEJB-UHFFFAOYSA-N -1 3 365.253 0.520 10 0 FCAEHM Cn1cc(CCC[N-]S(=O)(=O)c2cn(C)nc2Br)cn1 ZINC000866713827 672291444 /nfs/dbraw/zinc/29/14/44/672291444.db2.gz YLRIXVVPPUKVDK-UHFFFAOYSA-N -1 3 362.253 0.827 10 0 FCAEHM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@H]1CNCCO1)c1cc(F)ccc1F ZINC000866748410 672297454 /nfs/dbraw/zinc/29/74/54/672297454.db2.gz PVWQEOZSLPKRNP-MFKMUULPSA-N -1 3 364.370 0.087 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@H]2CNCCC2(F)F)c(Br)n1 ZINC000866769193 672301956 /nfs/dbraw/zinc/30/19/56/672301956.db2.gz JZDZLPYUYXPJEJ-ZETCQYMHSA-N -1 3 359.196 0.458 10 0 FCAEHM CN(C)c1ncc(C[N-]S(=O)(=O)N=[S@](C)(=O)c2ccccc2)n1C ZINC000866781210 672304796 /nfs/dbraw/zinc/30/47/96/672304796.db2.gz MNRMKZOEJNSCHK-HSZRJFAPSA-N -1 3 371.488 0.977 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@H]2CCC(=O)N(C)C2)c(Br)n1 ZINC000866823795 672313565 /nfs/dbraw/zinc/31/35/65/672313565.db2.gz PJPHUMBGJCSDEZ-ZETCQYMHSA-N -1 3 351.226 0.082 10 0 FCAEHM C[C@H](O)CC[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866832326 672315417 /nfs/dbraw/zinc/31/54/17/672315417.db2.gz FKUYNLPYGFULDR-LURJTMIESA-N -1 3 359.189 0.074 10 0 FCAEHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cnn(C)c2Br)c2ncnn21 ZINC000867497574 672326411 /nfs/dbraw/zinc/32/64/11/672326411.db2.gz BOQMRLVLQLIBMW-RNFRBKRXSA-N -1 3 361.225 0.758 10 0 FCAEHM COC[C@@H](CC[N-]S(=O)(=O)c1cnn(C)c1Br)OC ZINC000867498345 672326553 /nfs/dbraw/zinc/32/65/53/672326553.db2.gz YCBHTUUEFSCHEE-MRVPVSSYSA-N -1 3 356.242 0.512 10 0 FCAEHM CN(C)C(=O)OCC[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867513096 672329234 /nfs/dbraw/zinc/32/92/34/672329234.db2.gz WMGDHHGPHOXJJC-UHFFFAOYSA-N -1 3 355.214 0.159 10 0 FCAEHM C[C@@H](O)C1([N-]S(=O)(=O)c2cnn(C)c2I)CC1 ZINC000867529790 672331889 /nfs/dbraw/zinc/33/18/89/672331889.db2.gz OBQJXLOOQGPHAB-ZCFIWIBFSA-N -1 3 371.200 0.216 10 0 FCAEHM COC1(CS(=O)(=O)[N-]CC(=O)N(C)OCC(F)(F)F)CCCC1 ZINC000867547812 672335436 /nfs/dbraw/zinc/33/54/36/672335436.db2.gz KCCKEWGFCMHAQW-UHFFFAOYSA-N -1 3 362.370 0.817 10 0 FCAEHM O=c1[nH]c2cc(F)c(S(=O)(=O)[N-][C@H]3CCCN(CCF)C3)cc2o1 ZINC000867712852 672357995 /nfs/dbraw/zinc/35/79/95/672357995.db2.gz ISRVACZRMHLOBT-VIFPVBQESA-N -1 3 361.370 0.972 10 0 FCAEHM O=C1OC[C@]2(C[N-]S(=O)(=O)Cc3c(F)cccc3F)COCCN12 ZINC000867750185 672363174 /nfs/dbraw/zinc/36/31/74/672363174.db2.gz TYCJAPFNQNBVOS-AWEZNQCLSA-N -1 3 362.354 0.605 10 0 FCAEHM O=C1OC[C@]2(C[N-]S(=O)(=O)c3ccc(Cl)cc3F)COCCN12 ZINC000867751418 672363739 /nfs/dbraw/zinc/36/37/39/672363739.db2.gz LTJARMKFEMMVCD-ZDUSSCGKSA-N -1 3 364.782 0.979 10 0 FCAEHM COC(=O)[C@@H](CCC1OCCO1)[N-]S(=O)(=O)Cc1cccc(F)c1 ZINC000867763393 672364742 /nfs/dbraw/zinc/36/47/42/672364742.db2.gz XOCOIZJYHDEURJ-CYBMUJFWSA-N -1 3 361.391 0.940 10 0 FCAEHM COC(=O)[C@H](CCC1OCCO1)[N-]S(=O)(=O)C1Cc2ccccc2C1 ZINC000867762952 672364822 /nfs/dbraw/zinc/36/48/22/672364822.db2.gz NPQIYAMIFXMOFW-HNNXBMFYSA-N -1 3 369.439 0.768 10 0 FCAEHM C[C@@H]1CCN(C[C@H](O)CC2(O)CCOCC2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000878999575 673092718 /nfs/dbraw/zinc/09/27/18/673092718.db2.gz FAFILSQVBABSMF-UPJWGTAASA-N -1 3 368.396 0.668 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN3CCSC[C@H]23)o1 ZINC000928094445 673899854 /nfs/dbraw/zinc/89/98/54/673899854.db2.gz QFGOJGIZFCFAPG-GHMZBOCLSA-N -1 3 359.473 0.497 10 0 FCAEHM C[C@@H]1[C@H](NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2[O-])CCN1C ZINC000928457680 673911278 /nfs/dbraw/zinc/91/12/78/673911278.db2.gz XRGIGSBKJILVAO-IUODEOHRSA-N -1 3 367.471 0.999 10 0 FCAEHM COC[C@@H](O)CNC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000802221416 675836032 /nfs/dbraw/zinc/83/60/32/675836032.db2.gz JUAAWCHQJXGBTP-VIFPVBQESA-N -1 3 364.370 0.143 10 0 FCAEHM Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)n1 ZINC001648891201 1169100945 /nfs/dbraw/zinc/10/09/45/1169100945.db2.gz VGGANWUSLDTWMQ-UONOGXRCSA-N -1 3 360.414 0.548 10 0 FCAEHM CC[C@H](CNC(=O)c1nnc2ccccc2c1[O-])NC(=O)[C@]12C[C@H]1COC2 ZINC001746208236 1192347382 /nfs/dbraw/zinc/34/73/82/1192347382.db2.gz NJYXJCICYDOOSC-CRTZDJKQSA-N -1 3 370.409 0.997 10 0 FCAEHM Cn1[n-]c(CNC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccncc2)C2CC2)nc1=O ZINC001670469544 1169325389 /nfs/dbraw/zinc/32/53/89/1169325389.db2.gz JWHFUQCOEOQUST-RRFJBIMHSA-N -1 3 356.430 0.292 10 0 FCAEHM COC1(CNC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)CCOCC1 ZINC001670795371 1169845583 /nfs/dbraw/zinc/84/55/83/1169845583.db2.gz JOQLFNBHDPRBCR-GFCCVEGCSA-N -1 3 351.407 0.256 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)N(CC)CCNCc1cc(=O)n2[n-]ccc2n1 ZINC001482939917 1192447680 /nfs/dbraw/zinc/44/76/80/1192447680.db2.gz XUXKIVAGIXOWLR-CABCVRRESA-N -1 3 361.446 0.776 10 0 FCAEHM COCCN(CCOC)C1CN(C(=O)CCc2c(C)nc(C)[n-]c2=O)C1 ZINC000898257926 1192864817 /nfs/dbraw/zinc/86/48/17/1192864817.db2.gz COUKXOSZSXPCEW-UHFFFAOYSA-N -1 3 366.462 0.537 10 0 FCAEHM C[C@@H]1CN(C(=O)C2(NC(N)=O)CC2)C[C@H]1CNC(=O)c1ccccc1[O-] ZINC001719698465 1179487603 /nfs/dbraw/zinc/48/76/03/1179487603.db2.gz VKNLALRMNNENBN-VXGBXAGGSA-N -1 3 360.414 0.417 10 0 FCAEHM Cc1[nH]nc(C(=O)N2C[C@@H](CNC(=O)CN(C)C3CCC3)[C@H](C)C2)c1[O-] ZINC001719716202 1179730352 /nfs/dbraw/zinc/73/03/52/1179730352.db2.gz NSRBYFVDAUDPNJ-DGCLKSJQSA-N -1 3 363.462 0.732 10 0 FCAEHM COCCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(=O)[n-]c(C3CC3)n1)C2 ZINC001719836121 1186195450 /nfs/dbraw/zinc/19/54/50/1186195450.db2.gz KWNCQSCIRBKOLY-DYEKYZERSA-N -1 3 360.414 0.958 10 0 FCAEHM CCCN(C(=O)[C@]12C[C@H]1COC2)[C@@H]1CCN(C(=O)c2cnc[n-]c2=O)C1 ZINC001745662772 1187470283 /nfs/dbraw/zinc/47/02/83/1187470283.db2.gz RSIUFUBTJPFPSR-JCGVRSQUSA-N -1 3 360.414 0.672 10 0 FCAEHM C[C@H](CN1CCOCC1)N(C)C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001687391020 1188352502 /nfs/dbraw/zinc/35/25/02/1188352502.db2.gz PSKGZOJDUQMMIZ-GFCCVEGCSA-N -1 3 365.434 0.117 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000898733571 1194071828 /nfs/dbraw/zinc/07/18/28/1194071828.db2.gz HVIQDIWTWHRDHA-ZYHUDNBSSA-N -1 3 364.352 0.946 10 0 FCAEHM Cn1ccnc(N2CCN(C(=O)c3cc4c(cc3[O-])OCO4)CC2)c1=O ZINC000436575900 1195534526 /nfs/dbraw/zinc/53/45/26/1195534526.db2.gz OZFDEUGPHRKOMY-UHFFFAOYSA-N -1 3 358.354 0.177 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NC1(CNC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)CC1 ZINC001299210692 1196461708 /nfs/dbraw/zinc/46/17/08/1196461708.db2.gz XWEIWRTWDGIHOH-ZWNOBZJWSA-N -1 3 355.394 0.995 10 0 FCAEHM O=C(COC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])N1CCCC1=O ZINC000046333754 1196611814 /nfs/dbraw/zinc/61/18/14/1196611814.db2.gz FEZKLLXOHKLYCN-CYBMUJFWSA-N -1 3 360.366 0.689 10 0 FCAEHM COc1ccc(CN2C[C@H](C(=O)NCCCc3c[n-][nH]c3=O)CC2=O)cc1 ZINC001168403394 1196696481 /nfs/dbraw/zinc/69/64/81/1196696481.db2.gz HYHATNUMSJYYAD-HUUCEWRRSA-N -1 3 372.425 0.672 10 0 FCAEHM O=C(Cn1cc(C(=O)NCCCc2c[n-][nH]c2=O)cn1)NC1CCCC1 ZINC001168403456 1196702105 /nfs/dbraw/zinc/70/21/05/1196702105.db2.gz IPDHWFIXJSLGOK-LBPRGKRZSA-N -1 3 360.418 0.184 10 0 FCAEHM COc1ccccc1-c1nnc(CC(=O)NCCCc2c[n-][nH]c2=O)o1 ZINC001168405824 1196739979 /nfs/dbraw/zinc/73/99/79/1196739979.db2.gz WDEVOFPSWHBYFG-NSHDSACASA-N -1 3 357.370 0.916 10 0 FCAEHM COCCN1CCC[C@H]1CNC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1 ZINC000741744627 1198119846 /nfs/dbraw/zinc/11/98/46/1198119846.db2.gz ZMTFPLPGFWQVBH-AWEZNQCLSA-N -1 3 374.445 0.413 10 0 FCAEHM COCC[C@@H](COC)NC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC000793987162 1201280112 /nfs/dbraw/zinc/28/01/12/1201280112.db2.gz JRRVAPHQJQBJFU-LBPRGKRZSA-N -1 3 365.361 0.655 10 0 FCAEHM COCC[C@@H](COC)NC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000793987162 1201280118 /nfs/dbraw/zinc/28/01/18/1201280118.db2.gz JRRVAPHQJQBJFU-LBPRGKRZSA-N -1 3 365.361 0.655 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)c3ccccc3OCC(N)=O)cc2n(C)c1=O ZINC000812384327 1202980474 /nfs/dbraw/zinc/98/04/74/1202980474.db2.gz KKPHCCSDHVLPBT-UHFFFAOYSA-N -1 3 370.365 0.699 10 0 FCAEHM CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])C[C@@H]2C1 ZINC000816744277 1203078372 /nfs/dbraw/zinc/07/83/72/1203078372.db2.gz CCHPRTARPOMPEV-UXLLHSPISA-N -1 3 371.437 0.934 10 0 FCAEHM CCO[N-]C(=O)CNC(=O)NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000845535201 1204526690 /nfs/dbraw/zinc/52/66/90/1204526690.db2.gz SNHKXJGQFLPNSZ-UHFFFAOYSA-N -1 3 364.446 0.380 10 0 FCAEHM Cc1cc(=O)[n-]c(CNC(=O)[C@H](O)[C@](O)(c2ccccc2)C(F)(F)F)n1 ZINC001144555273 1204549337 /nfs/dbraw/zinc/54/93/37/1204549337.db2.gz BOXJWHBBSSQWQA-DZGCQCFKSA-N -1 3 371.315 0.918 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CC[C@@H](NC(=O)c3ccc4c(n3)OCCO4)C2)n1 ZINC001177889367 1206349726 /nfs/dbraw/zinc/34/97/26/1206349726.db2.gz LEVJVVRURUUZCD-LLVKDONJSA-N -1 3 357.370 0.666 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)CCCN3C(=O)CCC3=O)CC2)n1 ZINC001178039577 1206351918 /nfs/dbraw/zinc/35/19/18/1206351918.db2.gz ZNXUKPYMYZQISV-UHFFFAOYSA-N -1 3 361.402 0.068 10 0 FCAEHM Cc1cc(C2(C(=O)N[C@@H]3CCN(c4cc(=O)[n-]cn4)C3)CCOCC2)on1 ZINC001180027088 1206387908 /nfs/dbraw/zinc/38/79/08/1206387908.db2.gz CRKPHGMQEZVVEH-CYBMUJFWSA-N -1 3 373.413 0.922 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccc(-n2cccn2)nc1 ZINC001180029065 1206387986 /nfs/dbraw/zinc/38/79/86/1206387986.db2.gz YDXAQKUEFMURTA-CYBMUJFWSA-N -1 3 351.370 0.772 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)[C@@H]1CNC(=O)c2ccccc21 ZINC001180027155 1206388146 /nfs/dbraw/zinc/38/81/46/1206388146.db2.gz FLLUSKXNPBMYAE-SMDDNHRTSA-N -1 3 353.382 0.404 10 0 FCAEHM CCOC(=O)c1nc(CNC(=O)c2ccccc2CN2CCOCC2)n[n-]1 ZINC001183192743 1206450032 /nfs/dbraw/zinc/45/00/32/1206450032.db2.gz DKJGQFQNZPIJBW-UHFFFAOYSA-N -1 3 373.413 0.744 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)c2ccccc2CN2CCOCC2)[n-]1 ZINC001183192743 1206450033 /nfs/dbraw/zinc/45/00/33/1206450033.db2.gz DKJGQFQNZPIJBW-UHFFFAOYSA-N -1 3 373.413 0.744 10 0 FCAEHM CCOC(=O)c1n[n-]c(CNC(=O)c2ccccc2CN2CCOCC2)n1 ZINC001183192743 1206450035 /nfs/dbraw/zinc/45/00/35/1206450035.db2.gz DKJGQFQNZPIJBW-UHFFFAOYSA-N -1 3 373.413 0.744 10 0 FCAEHM CCO[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)c3cnc[n-]c3=O)[C@@H]2C1)C1CC1 ZINC001489250384 1208690921 /nfs/dbraw/zinc/69/09/21/1208690921.db2.gz JLZIAFDULUBNIJ-NWANDNLSSA-N -1 3 360.414 0.670 10 0 FCAEHM CCS(=O)(=O)CCCN1CC[C@H](NC(=O)c2cnc[n-]c2=O)[C@H]1C ZINC001489274002 1208751365 /nfs/dbraw/zinc/75/13/65/1208751365.db2.gz PLQQZLUIJYRHOL-YPMHNXCESA-N -1 3 356.448 0.200 10 0 FCAEHM Cc1cccc(CCC(=O)N[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@H]2O)c1 ZINC001489380903 1208802693 /nfs/dbraw/zinc/80/26/93/1208802693.db2.gz UYVDIJGQVUTFCI-HZPDHXFCSA-N -1 3 370.409 0.425 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1NC(=O)CCc1cncn1C ZINC001489480755 1208858424 /nfs/dbraw/zinc/85/84/24/1208858424.db2.gz HIWBURJRESYPPY-BXUZGUMPSA-N -1 3 358.402 0.125 10 0 FCAEHM CO[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1NC(=O)CCc1ccncc1 ZINC001489531759 1208893475 /nfs/dbraw/zinc/89/34/75/1208893475.db2.gz TTXQRHDNXPSQKG-HUUCEWRRSA-N -1 3 371.397 0.166 10 0 FCAEHM CCCC[C@H](CC)C(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1 ZINC001489593271 1209015968 /nfs/dbraw/zinc/01/59/68/1209015968.db2.gz ATXBHPOSDUSHPU-YUTCNCBUSA-N -1 3 350.419 0.700 10 0 FCAEHM O=C(CCCn1ccnc1)N1C[C@H]2CCN(C(=O)c3cnc[n-]c3=O)C[C@H]21 ZINC001489657232 1209043645 /nfs/dbraw/zinc/04/36/45/1209043645.db2.gz RTZNKUARZYLMSO-UKRRQHHQSA-N -1 3 370.413 0.532 10 0 FCAEHM C[C@@H](CC(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@@H]1O)n1cccn1 ZINC001489627831 1209060145 /nfs/dbraw/zinc/06/01/45/1209060145.db2.gz UNOPZRPZWYAKHF-BJJXKVORSA-N -1 3 358.398 0.542 10 0 FCAEHM CCOCCO[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cn[n-]n1 ZINC001489695934 1209091714 /nfs/dbraw/zinc/09/17/14/1209091714.db2.gz ORBVVFAPLAHCMP-YNEHKIRRSA-N -1 3 353.423 0.404 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NCc1nc(CNC(=O)[C@]2(C)CCOC2)cc(=O)[n-]1 ZINC001489970917 1209185579 /nfs/dbraw/zinc/18/55/79/1209185579.db2.gz YVUOCCIIQKYOED-AEDCBLDQSA-N -1 3 362.430 0.887 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)CCCCC(N)=O)CCN1C(=O)c1cnc[n-]c1=O ZINC001490018447 1209192857 /nfs/dbraw/zinc/19/28/57/1209192857.db2.gz GCWYZJJQFBTKKO-QWHCGFSZSA-N -1 3 363.418 0.337 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1CC[C@H](NC(=O)CCc2ncccn2)[C@H]1C ZINC001490122576 1209244439 /nfs/dbraw/zinc/24/44/39/1209244439.db2.gz WHBRQMUPSZGWHG-OLZOCXBDSA-N -1 3 370.413 0.633 10 0 FCAEHM CNC(=O)CCCC(=O)N[C@H]1CCN(C(=O)c2c(C)nc[n-]c2=O)[C@@H]1C ZINC001490087886 1209249402 /nfs/dbraw/zinc/24/94/02/1209249402.db2.gz OCJUTTDKNZXTKA-NEPJUHHUSA-N -1 3 363.418 0.126 10 0 FCAEHM CCO[C@@H](CC)C(=O)N1C[C@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@@]2(C)C1 ZINC001490210653 1209272396 /nfs/dbraw/zinc/27/23/96/1209272396.db2.gz BYIDDSGLZHCHHP-IAISJRAMSA-N -1 3 362.430 0.918 10 0 FCAEHM CO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCc1c(C)nc[n-]c1=O ZINC001490755280 1209423139 /nfs/dbraw/zinc/42/31/39/1209423139.db2.gz QDDTWLJEISHDTQ-GBOPCIDUSA-N -1 3 362.430 0.706 10 0 FCAEHM C[C@H]1C[C@H](NC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])c2ncnn21 ZINC000855330135 1209665137 /nfs/dbraw/zinc/66/51/37/1209665137.db2.gz DGZIAGWLNKVWRS-CABZTGNLSA-N -1 3 370.344 0.901 10 0 FCAEHM C[C@H]1C[C@H](NC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)c2ncnn21 ZINC000855330135 1209665139 /nfs/dbraw/zinc/66/51/39/1209665139.db2.gz DGZIAGWLNKVWRS-CABZTGNLSA-N -1 3 370.344 0.901 10 0 FCAEHM C[C@@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])C[C@H](C)[C@H]1O ZINC000855692897 1209678949 /nfs/dbraw/zinc/67/89/49/1209678949.db2.gz SUPATIKQRCEYQS-FTJFQDGESA-N -1 3 361.373 0.963 10 0 FCAEHM C[C@@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)C[C@H](C)[C@H]1O ZINC000855692897 1209678955 /nfs/dbraw/zinc/67/89/55/1209678955.db2.gz SUPATIKQRCEYQS-FTJFQDGESA-N -1 3 361.373 0.963 10 0 FCAEHM CCn1nnc(C)c1C(=O)[N-]N1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O ZINC000861707225 1209875404 /nfs/dbraw/zinc/87/54/04/1209875404.db2.gz QATWKTWTAOVZBF-KRWDZBQOSA-N -1 3 372.385 0.727 10 0 FCAEHM O=C(c1cc(=O)[n-]cn1)N1CCC(c2nccc(N3CCOCC3)n2)CC1 ZINC000862251259 1209908227 /nfs/dbraw/zinc/90/82/27/1209908227.db2.gz YZWTVGIGPBNYLT-UHFFFAOYSA-N -1 3 370.413 0.829 10 0 FCAEHM CN1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cc2c(cc1[O-])OCO2 ZINC000862643593 1209918813 /nfs/dbraw/zinc/91/88/13/1209918813.db2.gz WMVXRSSAMBWTFF-GOSISDBHSA-N -1 3 364.398 0.467 10 0 FCAEHM Cn1[n-]c(CNCC2(NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CCCCC2)nc1=O ZINC001276227926 1211384833 /nfs/dbraw/zinc/38/48/33/1211384833.db2.gz YXIVBZDBIMLKCR-MCIONIFRSA-N -1 3 363.462 0.585 10 0 FCAEHM CCOCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cnc[n-]c2=O)CC1 ZINC001490823083 1211408194 /nfs/dbraw/zinc/40/81/94/1211408194.db2.gz VDAGTZBRVFMZEM-BNOWGMLFSA-N -1 3 360.414 0.861 10 0 FCAEHM CN1C[C@@H](CCNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC1=O ZINC000927744620 1211580298 /nfs/dbraw/zinc/58/02/98/1211580298.db2.gz CZVBIJKHWNJHNP-DZGCQCFKSA-N -1 3 359.426 0.981 10 0 FCAEHM CC1(C)CN(C(=O)CN2CCN(C(=O)c3ccccc3[O-])CC2)CCO1 ZINC000929992908 1211679463 /nfs/dbraw/zinc/67/94/63/1211679463.db2.gz YEQBEOOALRSJHN-UHFFFAOYSA-N -1 3 361.442 0.787 10 0 FCAEHM Cc1cc(CCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cnc[n-]c2=O)no1 ZINC001490866039 1212746853 /nfs/dbraw/zinc/74/68/53/1212746853.db2.gz XTBOLWXTMMSYKI-YUELXQCFSA-N -1 3 371.397 0.973 10 0 FCAEHM Cc1cc(C)nc(-n2[n-]c(C(=O)N(C)[C@H]3CCN(C4CC4)C3)cc2=O)n1 ZINC000900663439 1218020333 /nfs/dbraw/zinc/02/03/33/1218020333.db2.gz FEUPMBBNEUWUOB-AWEZNQCLSA-N -1 3 356.430 0.881 10 0 FCAEHM O=C(CC1C(=O)N=CNC1=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001137344412 1219048818 /nfs/dbraw/zinc/04/88/18/1219048818.db2.gz KUVYLXKLSCZHLI-UHFFFAOYSA-N -1 3 358.354 0.121 10 0 FCAEHM CCOCCO[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2cn[n-]n2)C1 ZINC001490917108 1219666929 /nfs/dbraw/zinc/66/69/29/1219666929.db2.gz VNYLZBDWYWCVCL-DCGLDWPTSA-N -1 3 365.434 0.357 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(C(=O)C(=O)NC[C@H]3C[C@@H]3C)CC2)n[n-]1 ZINC001117059247 1221449977 /nfs/dbraw/zinc/44/99/77/1221449977.db2.gz BJFUUTJQSRQDSJ-CMPLNLGQSA-N -1 3 363.418 0.460 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(C(=O)C(=O)NC[C@H]3C[C@@H]3C)CC2)[n-]1 ZINC001117059247 1221449984 /nfs/dbraw/zinc/44/99/84/1221449984.db2.gz BJFUUTJQSRQDSJ-CMPLNLGQSA-N -1 3 363.418 0.460 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCC[C@H](NC(=O)[C@@H]3CCC(=O)N3C(C)C)C2)n1 ZINC001123998962 1222374928 /nfs/dbraw/zinc/37/49/28/1222374928.db2.gz LPJCIOZNPQATKP-KBPBESRZSA-N -1 3 361.446 0.975 10 0 FCAEHM CCN(OC)C(=O)CNC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000828148511 1222395335 /nfs/dbraw/zinc/39/53/35/1222395335.db2.gz YCAFAMVQOBHENF-UHFFFAOYSA-N -1 3 364.402 0.270 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])N1CC(F)(F)C[C@@H]1CO ZINC000830534698 1222476870 /nfs/dbraw/zinc/47/68/70/1222476870.db2.gz FQJAILXAKUHARD-LLVKDONJSA-N -1 3 369.299 0.716 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c([O-])cc1=O)N1CC(F)(F)C[C@@H]1CO ZINC000830534698 1222476873 /nfs/dbraw/zinc/47/68/73/1222476873.db2.gz FQJAILXAKUHARD-LLVKDONJSA-N -1 3 369.299 0.716 10 0 FCAEHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)c1cn(C[C@H]2CCOC2)nn1 ZINC001141843366 1222783499 /nfs/dbraw/zinc/78/34/99/1222783499.db2.gz DWOSPIZBKSWIDR-GFCCVEGCSA-N -1 3 354.374 0.671 10 0 FCAEHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)c1cn(C[C@H]2CCOC2)nn1 ZINC001141843366 1222783503 /nfs/dbraw/zinc/78/35/03/1222783503.db2.gz DWOSPIZBKSWIDR-GFCCVEGCSA-N -1 3 354.374 0.671 10 0 FCAEHM Cn1c(=O)[nH]c(=O)c2cc(C(=O)N3CC[C@H](c4cc(=O)[nH][n-]4)C3)cnc21 ZINC001164321972 1223237294 /nfs/dbraw/zinc/23/72/94/1223237294.db2.gz KZSYFZZFFVUSES-QMMMGPOBSA-N -1 3 356.342 0.093 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCn3c(COC)nnc3C2)c1 ZINC001165439187 1223246245 /nfs/dbraw/zinc/24/62/45/1223246245.db2.gz BVYXEJPIKIAPIS-UHFFFAOYSA-N -1 3 357.370 0.911 10 0 FCAEHM O=C(COC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)N1CCOC[C@H]1C1CC1 ZINC000766101423 1245306188 /nfs/dbraw/zinc/30/61/88/1245306188.db2.gz UEVYCTRGTAKMKA-AWEZNQCLSA-N -1 3 358.350 0.364 10 0 FCAEHM O=C(CCn1c(=O)c2ccccc2[n-]c1=S)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848307826 1245365933 /nfs/dbraw/zinc/36/59/33/1245365933.db2.gz PYOMFAVZKCRKFO-QWHCGFSZSA-N -1 3 374.466 0.353 10 0 FCAEHM CCN1CC[C@@H]1CNC(=O)c1ccc(-n2[n-]c(CC(=O)OC)cc2=O)cc1 ZINC000922164073 1245662698 /nfs/dbraw/zinc/66/26/98/1245662698.db2.gz IHNYBXRYJXQTJN-MRXNPFEDSA-N -1 3 372.425 0.705 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@H]3CCNC(=O)[C@@H]32)c([O-])c1 ZINC000922442424 1245677107 /nfs/dbraw/zinc/67/71/07/1245677107.db2.gz KPDMQHUVMISROX-SUMWQHHRSA-N -1 3 359.426 0.948 10 0 FCAEHM O=C(CCc1cnccn1)NC[C@H]1CC[C@@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001515161151 1265449261 /nfs/dbraw/zinc/44/92/61/1265449261.db2.gz NSTQLWSYWSSLSE-QWHCGFSZSA-N -1 3 370.413 0.620 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c1 ZINC001518775581 1265680220 /nfs/dbraw/zinc/68/02/20/1265680220.db2.gz UROUJZAMASXJGT-MRXNPFEDSA-N -1 3 373.409 0.980 10 0 FCAEHM Cc1nc[nH]c(=O)c1CCC(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC001330058703 1265934586 /nfs/dbraw/zinc/93/45/86/1265934586.db2.gz QGBBPROXBDATHQ-UHFFFAOYSA-N -1 3 357.370 0.958 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N1CC[C@H](NC(=O)CC(C)(C)O)[C@H]1C ZINC001520661849 1265961366 /nfs/dbraw/zinc/96/13/66/1265961366.db2.gz RAHVXPPTJHTMTF-OCCSQVGLSA-N -1 3 364.446 0.690 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)COC[C@@H]2CCCO2)CCN1C(=O)c1cnc[n-]c1=O ZINC001520829402 1266015036 /nfs/dbraw/zinc/01/50/36/1266015036.db2.gz JRKKVRLVIZVCNB-DYEKYZERSA-N -1 3 364.402 0.097 10 0 FCAEHM COC(=O)NCC(=O)N1C[C@H]2CN(C(=O)c3ccccc3[O-])C[C@@]2(C)C1 ZINC001521542260 1266135873 /nfs/dbraw/zinc/13/58/73/1266135873.db2.gz NLUSQFIXSCDXCV-KPZWWZAWSA-N -1 3 361.398 0.669 10 0 FCAEHM Nc1nn2c([n-]1)nc(CN1C[C@@H](c3ccccc3)[C@](F)(CO)C1)cc2=O ZINC001331329171 1266194844 /nfs/dbraw/zinc/19/48/44/1266194844.db2.gz ZLXHRXMPAASVIV-SUMWQHHRSA-N -1 3 358.377 0.300 10 0 FCAEHM CN(Cc1cc(=O)n2nc(N)[n-]c2n1)c1ccc(N2CCOCC2)cc1 ZINC001331611466 1266251112 /nfs/dbraw/zinc/25/11/12/1266251112.db2.gz UYJDBMJEQVJDLI-UHFFFAOYSA-N -1 3 355.402 0.473 10 0 FCAEHM COCC[C@](C)(O)CNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001136988401 1259377451 /nfs/dbraw/zinc/37/74/51/1259377451.db2.gz XCICONHANVKGLE-KRWDZBQOSA-N -1 3 365.361 0.391 10 0 FCAEHM COCC[C@](C)(O)CNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001136988401 1259377454 /nfs/dbraw/zinc/37/74/54/1259377454.db2.gz XCICONHANVKGLE-KRWDZBQOSA-N -1 3 365.361 0.391 10 0 FCAEHM COC(=O)[C@]12C[C@H]1C[C@H](NC(=O)N[C@H]1CCN(c3cc(=O)[n-]cn3)C1)C2 ZINC001235080610 1259567579 /nfs/dbraw/zinc/56/75/79/1259567579.db2.gz GLBNQWMCTVGFAA-QLQJRFMMSA-N -1 3 361.402 0.402 10 0 FCAEHM CCC1(N2CCOCC2)CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)CC1 ZINC001331763331 1266281987 /nfs/dbraw/zinc/28/19/87/1266281987.db2.gz XMLJGMSZNQEUDP-AWEZNQCLSA-N -1 3 367.446 0.023 10 0 FCAEHM COC(=O)c1coc(CNC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)c1 ZINC001251450737 1259748319 /nfs/dbraw/zinc/74/83/19/1259748319.db2.gz FQFPIFWBEOENBL-NSHDSACASA-N -1 3 361.358 0.640 10 0 FCAEHM NC(=O)[C@H]1CC[C@H](CNC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)CC1 ZINC001252053334 1259775997 /nfs/dbraw/zinc/77/59/97/1259775997.db2.gz MTAKJUMWYZHYCY-AVGNSLFASA-N -1 3 362.434 0.352 10 0 FCAEHM CN(C)c1cnn(C2CCN(C(=O)CN3CCC[C@@H](C(=O)[O-])C3)CC2)c1 ZINC001262181191 1260274916 /nfs/dbraw/zinc/27/49/16/1260274916.db2.gz FDRMCJBIPFRYMO-CQSZACIVSA-N -1 3 363.462 0.909 10 0 FCAEHM O=C(C[C@@H]1C[C@H]1C1CC1)N[C@@H](CO)CNC(=O)c1cccc2n[n-]nc21 ZINC001337662620 1260451708 /nfs/dbraw/zinc/45/17/08/1260451708.db2.gz QAJSPBAWTROGNQ-SCRDCRAPSA-N -1 3 357.414 0.601 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@H](CCNC(=O)[C@]12C[C@H]1COC2)C(C)C ZINC001280925507 1261078777 /nfs/dbraw/zinc/07/87/77/1261078777.db2.gz CEUPLOBILUXZAU-JCGVRSQUSA-N -1 3 362.430 0.788 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](NC(=O)CC2(C)CCCC2)[C@@H](O)C1 ZINC001281882151 1261253578 /nfs/dbraw/zinc/25/35/78/1261253578.db2.gz MORLALFMBNXRQR-OLZOCXBDSA-N -1 3 362.430 0.763 10 0 FCAEHM CCCCCCOCC(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@@H]1O ZINC001281916467 1261284360 /nfs/dbraw/zinc/28/43/60/1261284360.db2.gz VJLBECGINXVCPD-KGLIPLIRSA-N -1 3 366.418 0.081 10 0 FCAEHM CC=C(C)C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)n1 ZINC001282231845 1261387202 /nfs/dbraw/zinc/38/72/02/1261387202.db2.gz FASXZTRPMHKONE-ZCBGGOTOSA-N -1 3 372.425 0.804 10 0 FCAEHM CO[C@H](C)CC(=O)N1CC[C@H](NC(=O)CCc2c(C)nc[n-]c2=O)[C@H]1C ZINC001282364351 1261429875 /nfs/dbraw/zinc/42/98/75/1261429875.db2.gz SDRNCKYVDBTRGW-KYOSRNDESA-N -1 3 364.446 0.954 10 0 FCAEHM CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001472253932 1261455640 /nfs/dbraw/zinc/45/56/40/1261455640.db2.gz DOJVOPDOUDHODQ-NWDGAFQWSA-N -1 3 363.418 0.887 10 0 FCAEHM CCOC(=O)c1cccc2[n-]c(NC(=O)CNS(=O)(=O)N(C)C)nc21 ZINC001472301106 1261458820 /nfs/dbraw/zinc/45/88/20/1261458820.db2.gz ZFLPYALLCIMGEY-UHFFFAOYSA-N -1 3 369.403 0.074 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CNC(=O)C[C@H]1CCCCO1 ZINC001282472088 1261470306 /nfs/dbraw/zinc/47/03/06/1261470306.db2.gz MURKBQHIKBHOCG-MGPQQGTHSA-N -1 3 362.430 0.966 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CNC(=O)CCc1ccon1 ZINC001282495681 1261486396 /nfs/dbraw/zinc/48/63/96/1261486396.db2.gz UVEVFCDVWAYYAU-VXGBXAGGSA-N -1 3 359.386 0.627 10 0 FCAEHM COC1CC(C(=O)N2C[C@@H](C)[C@H](CCNC(=O)c3cnc[n-]c3=O)C2)C1 ZINC001282546558 1261520180 /nfs/dbraw/zinc/52/01/80/1261520180.db2.gz QRCCELSDVGCCJA-IWMBGFJWSA-N -1 3 362.430 0.822 10 0 FCAEHM O=C(CC[C@@H]1CCOC1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O ZINC001282716945 1261594777 /nfs/dbraw/zinc/59/47/77/1261594777.db2.gz PVZMDNAUKKZTOA-GBOPCIDUSA-N -1 3 360.414 0.861 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001285685836 1261865587 /nfs/dbraw/zinc/86/55/87/1261865587.db2.gz WUCBTRVIFMMVBR-DDTOSNHZSA-N -1 3 355.398 0.924 10 0 FCAEHM O=C(C[C@@H]1C[C@H]1C1CC1)N1CC(CCO)(NC(=O)c2cnc[n-]c2=O)C1 ZINC001285947303 1261893340 /nfs/dbraw/zinc/89/33/40/1261893340.db2.gz HXOAYYLIADJYFP-STQMWFEESA-N -1 3 360.414 0.312 10 0 FCAEHM O=C(N[C@@H](CO)CNC(=O)[C@@H]1C[C@H]1C1CC1)c1c[n-]c2ccccc2c1=O ZINC001287785687 1261975044 /nfs/dbraw/zinc/97/50/44/1261975044.db2.gz CUCKPWINFZENBB-VHDGCEQUSA-N -1 3 369.421 0.781 10 0 FCAEHM O=C(N[C@@H](CO)CNC(=O)[C@]12C[C@H]1CCC2)c1cc(=O)c2ccccc2[n-]1 ZINC001287818292 1261985490 /nfs/dbraw/zinc/98/54/90/1261985490.db2.gz BNBLBDLCERVDJF-VFGMZZLHSA-N -1 3 369.421 0.925 10 0 FCAEHM O=C(C[C@@H]1C[C@H]1Cc1ccccc1)NC[C@@H](CO)NC(=O)c1cn[n-]n1 ZINC001287820589 1261986078 /nfs/dbraw/zinc/98/60/78/1261986078.db2.gz YFQXLDVRHJLDMR-ILXRZTDVSA-N -1 3 357.414 0.281 10 0 FCAEHM C[C@@H](CC(F)F)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC001289079316 1262097034 /nfs/dbraw/zinc/09/70/34/1262097034.db2.gz IDZLIMNDNNCBFO-XXILOJSOSA-N -1 3 367.356 0.551 10 0 FCAEHM COCC(C)(C)CC(=O)N1CC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)[C@@H]2C1 ZINC001289817147 1262349070 /nfs/dbraw/zinc/34/90/70/1262349070.db2.gz SOSBAQDZZGWNNO-TZMCWYRMSA-N -1 3 362.430 0.918 10 0 FCAEHM COCC(=O)N[C@@H]1CC[C@H](CNC(=O)c2nnc3ccccc3c2[O-])C1 ZINC001290225415 1262404939 /nfs/dbraw/zinc/40/49/39/1262404939.db2.gz DJEFUCCBFRERDY-NWDGAFQWSA-N -1 3 358.398 0.997 10 0 FCAEHM CCO[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CNC(=O)[C@@H](CC)OC ZINC001290262633 1262415431 /nfs/dbraw/zinc/41/54/31/1262415431.db2.gz SVOMUHPHJJSMIK-MRVWCRGKSA-N -1 3 366.418 0.201 10 0 FCAEHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)c1cnc[n-]c1=O ZINC001290321433 1262427194 /nfs/dbraw/zinc/42/71/94/1262427194.db2.gz GHPDIMSBVNSSNU-MDZLAQPJSA-N -1 3 363.418 0.064 10 0 FCAEHM CC(=O)NCC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001290369486 1262433364 /nfs/dbraw/zinc/43/33/64/1262433364.db2.gz PVVKZGHSYRLZKI-GDBMZVCRSA-N -1 3 370.413 0.055 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1CC[C@H](NC(=O)CO[C@@H]2CCOC2)[C@H]1C ZINC001290625615 1262479455 /nfs/dbraw/zinc/47/94/55/1262479455.db2.gz MHCBJIUKHRPYMB-UPJWGTAASA-N -1 3 364.402 0.015 10 0 FCAEHM CNC(=O)C1(C(=O)N2C[C@@H](CNC(=O)c3ccccc3[O-])[C@H](C)C2)CC1 ZINC001290871412 1262525320 /nfs/dbraw/zinc/52/53/20/1262525320.db2.gz SNBWTZWWCGNTFX-CHWSQXEVSA-N -1 3 359.426 0.743 10 0 FCAEHM COCC1(C(=O)N2C[C@@H](C)[C@H](CCNC(=O)c3cnc[n-]c3=O)C2)CC1 ZINC001291634312 1262570173 /nfs/dbraw/zinc/57/01/73/1262570173.db2.gz ZZNJTAGOFBGARF-CHWSQXEVSA-N -1 3 362.430 0.823 10 0 FCAEHM C[C@@](O)(CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O)C1CC1 ZINC001291835746 1262596784 /nfs/dbraw/zinc/59/67/84/1262596784.db2.gz ATTPRQHWJQWYGS-ZLJVHPLZSA-N -1 3 360.414 0.595 10 0 FCAEHM C[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn[n-]n1)C2)N(C)CC(F)(F)F ZINC001292152620 1262655946 /nfs/dbraw/zinc/65/59/46/1262655946.db2.gz MJHLCCOTHXKXEA-XNDJQWLSSA-N -1 3 374.367 0.549 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccon1 ZINC001292153206 1262657062 /nfs/dbraw/zinc/65/70/62/1262657062.db2.gz UVYOYAVHLLYPKB-DFBGVHRSSA-N -1 3 371.397 0.973 10 0 FCAEHM CO[C@@H](C)CC(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)c2cnc[n-]c2=O)C1 ZINC001292343764 1262688513 /nfs/dbraw/zinc/68/85/13/1262688513.db2.gz PDTWVJDALSWFHF-LXIYXOSZSA-N -1 3 362.430 0.966 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001295621146 1262773342 /nfs/dbraw/zinc/77/33/42/1262773342.db2.gz QYJOLBSINNSCHX-MVWJERBFSA-N -1 3 358.402 0.262 10 0 FCAEHM O=C(NCCN(C(=O)c1cnc[n-]c1=O)C1CC1)[C@]12CCC[C@H]1OCC2 ZINC001296601971 1262825125 /nfs/dbraw/zinc/82/51/25/1262825125.db2.gz VCVZIEPDUFPBAF-KDOFPFPSSA-N -1 3 360.414 0.862 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)NCC1(NC(=O)[C@]23C[C@H]2COC3)CC1 ZINC001299193954 1262958422 /nfs/dbraw/zinc/95/84/22/1262958422.db2.gz UZSPDWAJOBFTKU-SGTLLEGYSA-N -1 3 360.414 0.225 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)N2CCO[C@H](Cn3ccnn3)C2)c([O-])c1 ZINC001301121394 1263000678 /nfs/dbraw/zinc/00/06/78/1263000678.db2.gz DCFPGNGQSZJPNE-AWEZNQCLSA-N -1 3 373.413 0.340 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC001301561557 1263011944 /nfs/dbraw/zinc/01/19/44/1263011944.db2.gz NAEXFYAGLCDMLX-KGLIPLIRSA-N -1 3 363.462 0.979 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)c1cn(CCO)nc1C1CCOCC1 ZINC001301570413 1263012008 /nfs/dbraw/zinc/01/20/08/1263012008.db2.gz GEGXVCFRHXFEGH-ZDUSSCGKSA-N -1 3 363.418 0.011 10 0 FCAEHM Cn1ncc(C2CC2)c1CNC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001478994323 1263159310 /nfs/dbraw/zinc/15/93/10/1263159310.db2.gz KODFPNCFWNKVIK-GFCCVEGCSA-N -1 3 357.418 0.871 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2cnc[n-]c2=O)CCN1CC(=O)N(C)CC1CC1 ZINC001479637587 1263286609 /nfs/dbraw/zinc/28/66/09/1263286609.db2.gz WAWQVIUUHKIULA-LSDHHAIUSA-N -1 3 361.446 0.633 10 0 FCAEHM CC(C)CCOCCN1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H]1C ZINC001479711404 1263370809 /nfs/dbraw/zinc/37/08/09/1263370809.db2.gz LVWKURDAHYVLLP-NEPJUHHUSA-N -1 3 353.423 0.538 10 0 FCAEHM Cn1[n-]c(CN(CCCNC(=O)[C@@H]2C[C@H]2c2ccco2)C2CC2)nc1=O ZINC001316924469 1263494429 /nfs/dbraw/zinc/49/44/29/1263494429.db2.gz SEEYRQKPQKXQRR-ZIAGYGMSSA-N -1 3 359.430 0.976 10 0 FCAEHM COC[C@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)c2cn[n-]n2)CC1 ZINC001486527025 1263543546 /nfs/dbraw/zinc/54/35/46/1263543546.db2.gz UFDLVEYNVVLHOF-LNSITVRQSA-N -1 3 365.434 0.213 10 0 FCAEHM CN(CCNCc1nc(=O)n(C)[n-]1)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001493640226 1263734598 /nfs/dbraw/zinc/73/45/98/1263734598.db2.gz NDSANQHKQCOKFD-QWHCGFSZSA-N -1 3 365.384 0.738 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)N(C)CCNC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC001496047957 1263848238 /nfs/dbraw/zinc/84/82/38/1263848238.db2.gz HDZQRRPIZZYOFC-CJNGLKHVSA-N -1 3 364.446 0.731 10 0 FCAEHM CN(CCNC(=O)c1cccc(Br)c1[O-])CCOCCO ZINC001333503231 1266616426 /nfs/dbraw/zinc/61/64/26/1266616426.db2.gz ACVOKVQXKUOBOG-UHFFFAOYSA-N -1 3 361.236 0.825 10 0 FCAEHM CCN(CCNCc1cc(=O)n2[n-]ccc2n1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001497455862 1263933073 /nfs/dbraw/zinc/93/30/73/1263933073.db2.gz LQLJTNBYOWNZOQ-KFWWJZLASA-N -1 3 359.430 0.528 10 0 FCAEHM C[C@@H]1OCCO[C@@H]1C(=O)NC/C=C\CNC(=O)c1cccc2n[n-]nc21 ZINC001501869559 1264147574 /nfs/dbraw/zinc/14/75/74/1264147574.db2.gz IVVUEXPJWIVBEU-NTXGJTGBSA-N -1 3 359.386 0.164 10 0 FCAEHM CN(CCOCCNCc1nc(=O)n(C)[n-]1)C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001508176956 1264399316 /nfs/dbraw/zinc/39/93/16/1264399316.db2.gz DYKXSEVBKVPDRE-CHWSQXEVSA-N -1 3 353.467 0.355 10 0 FCAEHM O=C(NCC1(CCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1)c1cnc[n-]c1=O ZINC001512656947 1264639783 /nfs/dbraw/zinc/63/97/83/1264639783.db2.gz QZYQXBKWBZBLTO-BZPMIXESSA-N -1 3 360.414 0.766 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](C)[C@H](NC(=O)CCCCC(N)=O)C1 ZINC001513306863 1265027613 /nfs/dbraw/zinc/02/76/13/1265027613.db2.gz QRODZAXNWULXLG-ZYHUDNBSSA-N -1 3 363.418 0.113 10 0 FCAEHM COCCC(C)(C)C(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@H](OC)C1 ZINC001513391911 1265089294 /nfs/dbraw/zinc/08/92/94/1265089294.db2.gz IMZZZMTWOGNECP-CHWSQXEVSA-N -1 3 366.418 0.201 10 0 FCAEHM CC[C@@H](C)CC(=O)N[C@@H]1CN(C(=O)Cc2c(C)nc(C)[n-]c2=O)C[C@@H]1O ZINC001513498967 1265156108 /nfs/dbraw/zinc/15/61/08/1265156108.db2.gz DLHJSXHLALWHDM-KMUNFCNLSA-N -1 3 364.446 0.466 10 0 FCAEHM C[C@@H]1OCCO[C@@H]1C(=O)N(C)CCCNC(=O)c1cccc2n[n-]nc21 ZINC001523419601 1266627097 /nfs/dbraw/zinc/62/70/97/1266627097.db2.gz YJIGKLFIINOQPV-NHYWBVRUSA-N -1 3 361.402 0.340 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N(C)CCCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001523680298 1266653099 /nfs/dbraw/zinc/65/30/99/1266653099.db2.gz IVIFWLLGDRYRCN-KCQAQPDRSA-N -1 3 362.430 0.884 10 0 FCAEHM COC(=O)c1[n-]cnc1NC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1 ZINC001525803752 1266768952 /nfs/dbraw/zinc/76/89/52/1266768952.db2.gz ZRPYKGXYQLMAQS-OLZOCXBDSA-N -1 3 359.342 0.128 10 0 FCAEHM COC(=O)c1nc[n-]c1NC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1 ZINC001525803752 1266768957 /nfs/dbraw/zinc/76/89/57/1266768957.db2.gz ZRPYKGXYQLMAQS-OLZOCXBDSA-N -1 3 359.342 0.128 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC001526866027 1266846309 /nfs/dbraw/zinc/84/63/09/1266846309.db2.gz FUUMABQJQKDFQP-ZBINZKHDSA-N -1 3 364.446 0.778 10 0 FCAEHM C[C@H]1C(=O)N(C)CCN1c1nnc(-c2nnc(Cl)[n-]2)n1CC1CC1 ZINC001527811364 1266926593 /nfs/dbraw/zinc/92/65/93/1266926593.db2.gz ZNEOGARLKOIIOZ-QMMMGPOBSA-N -1 3 350.814 0.794 10 0 FCAEHM C[C@H]1C(=O)N(C)CCN1c1nnc(-c2n[n-]c(Cl)n2)n1CC1CC1 ZINC001527811364 1266926599 /nfs/dbraw/zinc/92/65/99/1266926599.db2.gz ZNEOGARLKOIIOZ-QMMMGPOBSA-N -1 3 350.814 0.794 10 0 FCAEHM CC[C@@H](C(=O)N1CCC(Cc2nnn[n-]2)CC1)N1CCO[C@@H](CC)C1 ZINC001528797801 1266996947 /nfs/dbraw/zinc/99/69/47/1266996947.db2.gz CRJHSJTXJDGLSJ-GJZGRUSLSA-N -1 3 350.467 0.870 10 0 FCAEHM CC[C@@H](C(=O)N1CCC(Cc2nn[n-]n2)CC1)N1CCO[C@@H](CC)C1 ZINC001528797801 1266996955 /nfs/dbraw/zinc/99/69/55/1266996955.db2.gz CRJHSJTXJDGLSJ-GJZGRUSLSA-N -1 3 350.467 0.870 10 0 FCAEHM CCCCc1nc(NC(=O)C2(OC)CS(=O)(=O)C2)c(C(=O)OCC)[n-]1 ZINC001528892436 1267006526 /nfs/dbraw/zinc/00/65/26/1267006526.db2.gz ZXBRTZKXSWWIMS-UHFFFAOYSA-N -1 3 373.431 0.681 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CC[C@H]1[C@H]1CCCOC1 ZINC001529370845 1267058168 /nfs/dbraw/zinc/05/81/68/1267058168.db2.gz ZRLKEVNKTPWHOB-ONGXEEELSA-N -1 3 372.219 0.739 10 0 FCAEHM COC[C@H](NC(=O)C(=O)NCc1ccc([O-])c(F)c1)[C@H]1CCCOC1 ZINC001334708045 1267146407 /nfs/dbraw/zinc/14/64/07/1267146407.db2.gz UWWPGWPADJDNTF-JSGCOSHPSA-N -1 3 354.378 0.705 10 0 FCAEHM CCCC[C@H](CNC(=O)[C@]12C[C@H]1COC2)NC(=O)c1c(C)nc[n-]c1=O ZINC001334848198 1267199326 /nfs/dbraw/zinc/19/93/26/1267199326.db2.gz XQNNTWNYHNDLHW-JCGVRSQUSA-N -1 3 362.430 0.932 10 0 FCAEHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)[C@@]1(F)CCS(=O)(=O)C1 ZINC001537579939 1267376560 /nfs/dbraw/zinc/37/65/60/1267376560.db2.gz VRADTQUXVWYYQI-CYBMUJFWSA-N -1 3 362.335 0.053 10 0 FCAEHM C[C@@H](NC(=O)Cn1cnnn1)C(=O)Nc1ccc(Br)cc1[O-] ZINC001540971545 1267471647 /nfs/dbraw/zinc/47/16/47/1267471647.db2.gz IPJRXSPVOHGTNE-SSDOTTSWSA-N -1 3 369.179 0.285 10 0 FCAEHM COCCOC1CN(C(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])C1 ZINC001545166268 1267606648 /nfs/dbraw/zinc/60/66/48/1267606648.db2.gz RGGWCWHULOXCJT-UHFFFAOYSA-N -1 3 363.345 0.361 10 0 FCAEHM COCCOC1CN(C(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)C1 ZINC001545166268 1267606650 /nfs/dbraw/zinc/60/66/50/1267606650.db2.gz RGGWCWHULOXCJT-UHFFFAOYSA-N -1 3 363.345 0.361 10 0 FCAEHM Cc1nc(C)c(CC(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)c(=O)[n-]1 ZINC001545221781 1267608773 /nfs/dbraw/zinc/60/87/73/1267608773.db2.gz ZSYHJRIZOHGFHZ-APPDUMDISA-N -1 3 361.402 0.178 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@@H]1C[C@H]1[C@H]1CCCO1 ZINC001557270532 1268939000 /nfs/dbraw/zinc/93/90/00/1268939000.db2.gz LOBKHDSVXINUML-SZEHBUNVSA-N -1 3 358.192 0.395 10 0 FCAEHM NS(=O)(=O)c1ccc(CCC(=O)NCc2cc(=O)[n-]c(=S)[nH]2)cc1 ZINC001557320015 1268943827 /nfs/dbraw/zinc/94/38/27/1268943827.db2.gz RIGYGNFWXPPJPS-UHFFFAOYSA-N -1 3 368.440 0.367 10 0 FCAEHM Cc1sc2ncn(CC(=O)NCCCc3c[n-][nH]c3=O)c(=O)c2c1C ZINC001557701068 1268968073 /nfs/dbraw/zinc/96/80/73/1268968073.db2.gz GICSVDMUARXWEU-LLVKDONJSA-N -1 3 361.427 0.703 10 0 FCAEHM NS(=O)(=O)c1ccc(C(=O)NCCCc2c[n-][nH]c2=O)cc1Cl ZINC001557700941 1268968162 /nfs/dbraw/zinc/96/81/62/1268968162.db2.gz GGSZLMRIHAURRF-SECBINFHSA-N -1 3 358.807 0.229 10 0 FCAEHM O=C(CSc1nnnn1C1CCCC1)NCCCc1c[n-][nH]c1=O ZINC001557700720 1268968388 /nfs/dbraw/zinc/96/83/88/1268968388.db2.gz AKFHUHROXVAHTK-SNVBAGLBSA-N -1 3 351.436 0.509 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC001557702684 1268969155 /nfs/dbraw/zinc/96/91/55/1268969155.db2.gz YFSKVZDGLGOERC-LLVKDONJSA-N -1 3 368.415 0.306 10 0 FCAEHM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1cc(Br)n[nH]1 ZINC001558048631 1269013022 /nfs/dbraw/zinc/01/30/22/1269013022.db2.gz IZHVBZRRGDQJJO-UHFFFAOYSA-N -1 3 354.164 0.671 10 0 FCAEHM O=C(NCc1nc(C(F)(F)F)n[n-]1)C(=O)NC1C[C@H]2CC[C@@H](C1)S2 ZINC001341514860 1269046355 /nfs/dbraw/zinc/04/63/55/1269046355.db2.gz FUHJNDUWCWXXRW-IEESLHIDSA-N -1 3 363.365 0.983 10 0 FCAEHM Cc1nccnc1[C@H](C)NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC001558223807 1269056113 /nfs/dbraw/zinc/05/61/13/1269056113.db2.gz YEPYKSAXPGDLAJ-QMMMGPOBSA-N -1 3 368.191 0.687 10 0 FCAEHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC(CO)(CO)C2)ccc1F ZINC001558288186 1269062922 /nfs/dbraw/zinc/06/29/22/1269062922.db2.gz JYKGFSSSCJFNCT-UHFFFAOYSA-N -1 3 374.434 0.329 10 0 FCAEHM CCCC[C@](C)(F)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001341542250 1269069069 /nfs/dbraw/zinc/06/90/69/1269069069.db2.gz VXCRTGSBNXPMEH-HSMVNMDESA-N -1 3 354.382 0.402 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)C[C@H]3C=CS(=O)(=O)C3)CC2)n1 ZINC001558399238 1269083916 /nfs/dbraw/zinc/08/39/16/1269083916.db2.gz NEPRYSGXYSZDFZ-GFCCVEGCSA-N -1 3 352.416 0.088 10 0 FCAEHM O=C(NC[C@H]1CCN1C1CCOCC1)c1nc[n-]c(=O)c1Br ZINC001558538047 1269107441 /nfs/dbraw/zinc/10/74/41/1269107441.db2.gz ATGVFANFRGSFBN-SNVBAGLBSA-N -1 3 371.235 0.928 10 0 FCAEHM COC(=O)c1cc(NC(=O)[C@@H](C)N2C(=O)CCC2=O)c([O-])c(OC)c1 ZINC001558677081 1269129598 /nfs/dbraw/zinc/12/95/98/1269129598.db2.gz BTFPHKYCJOKQPV-MRVPVSSYSA-N -1 3 350.327 0.663 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ncc(Br)cn1 ZINC001558698548 1269132477 /nfs/dbraw/zinc/13/24/77/1269132477.db2.gz CZPZYEFFJYQBNV-VIFPVBQESA-N -1 3 365.191 0.743 10 0 FCAEHM C[C@@H](CC(=O)NCc1cnccn1)[N-]S(=O)(=O)c1cccnc1Cl ZINC001558799589 1269141922 /nfs/dbraw/zinc/14/19/22/1269141922.db2.gz JZKVZNVRQUJHTH-JTQLQIEISA-N -1 3 369.834 0.898 10 0 FCAEHM CS(=O)(=O)N[C@H]1CCCN(Cc2nnc(-c3ccccc3[O-])o2)C1 ZINC001560038282 1269184728 /nfs/dbraw/zinc/18/47/28/1269184728.db2.gz KFIJHAFYBXCYER-NSHDSACASA-N -1 3 352.416 0.956 10 0 FCAEHM C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001560115890 1269188021 /nfs/dbraw/zinc/18/80/21/1269188021.db2.gz LWEKSFCOHIIFRR-JQWIXIFHSA-N -1 3 359.430 0.488 10 0 FCAEHM CSc1ncc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c(=O)[n-]1 ZINC001565567012 1269478649 /nfs/dbraw/zinc/47/86/49/1269478649.db2.gz QIPDKWNQFDTIFW-UHFFFAOYSA-N -1 3 365.459 0.284 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C1=NO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001565612193 1269482381 /nfs/dbraw/zinc/48/23/81/1269482381.db2.gz GCSYXRVTGQUPCR-WDEREUQCSA-N -1 3 367.406 0.284 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC001565612707 1269482429 /nfs/dbraw/zinc/48/24/29/1269482429.db2.gz ZJAKZKNRQXGOGE-RYUDHWBXSA-N -1 3 365.411 0.240 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1c(Br)nc2n1CCOC2 ZINC001565612133 1269483241 /nfs/dbraw/zinc/48/32/41/1269483241.db2.gz DENOUOFBHRGELS-QMMMGPOBSA-N -1 3 370.207 0.418 10 0 FCAEHM CC[C@H](F)CNCc1cc(=O)[n-]c(CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)n1 ZINC001565991628 1269541887 /nfs/dbraw/zinc/54/18/87/1269541887.db2.gz ODNUPYXZVPKGLA-WOPDTQHZSA-N -1 3 367.425 0.538 10 0 FCAEHM Cc1cc(S(=O)(=O)NCCNC(=O)c2cnncc2[O-])c(C)s1 ZINC001566522606 1269651272 /nfs/dbraw/zinc/65/12/72/1269651272.db2.gz FVHVTGWGHGVAMJ-UHFFFAOYSA-N -1 3 356.429 0.569 10 0 FCAEHM NC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC[C@@H]2CCNCc2n[nH]c(=O)[n-]2)C1 ZINC001568393064 1269729782 /nfs/dbraw/zinc/72/97/82/1269729782.db2.gz CIWZAXBBLALIPW-FRRDWIJNSA-N -1 3 364.450 0.273 10 0 FCAEHM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccncc1)NC(=O)c1cnc[n-]c1=O ZINC001572263783 1270019941 /nfs/dbraw/zinc/01/99/41/1270019941.db2.gz VOUMIFFPKRRTFV-FPMFFAJLSA-N -1 3 355.398 0.958 10 0 FCAEHM O=C(C[C@@H]1C[C@H]1C1CC1)NC[C@H](CO)NC(=O)c1cccc2n[n-]nc21 ZINC001572345756 1270047427 /nfs/dbraw/zinc/04/74/27/1270047427.db2.gz TUBKQKPQDUOIJC-SCRDCRAPSA-N -1 3 357.414 0.601 10 0 FCAEHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2cnc[n-]c2=O)C1 ZINC001344287800 1270132870 /nfs/dbraw/zinc/13/28/70/1270132870.db2.gz SKTCHPDZBNYVIB-NWDGAFQWSA-N -1 3 363.418 0.112 10 0 FCAEHM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC001344301974 1270139180 /nfs/dbraw/zinc/13/91/80/1270139180.db2.gz AFJLYPOUTYHKCG-MJBXVCDLSA-N -1 3 364.450 0.370 10 0 FCAEHM O=C(Cc1ccc2c(c1)CCO2)NC[C@H]1CC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC001344300751 1270139378 /nfs/dbraw/zinc/13/93/78/1270139378.db2.gz YMVVXTKLCJNYLT-DZGCQCFKSA-N -1 3 369.425 0.997 10 0 FCAEHM O=C(Cc1ncc[nH]1)NC[C@H]1CC[C@@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC001344311229 1270144060 /nfs/dbraw/zinc/14/40/60/1270144060.db2.gz OODDAVGBOMEQEH-NWDGAFQWSA-N -1 3 367.413 0.938 10 0 FCAEHM C=C/C(C)=C/CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC001572822154 1270194914 /nfs/dbraw/zinc/19/49/14/1270194914.db2.gz YSDYLUCCHCCDQX-SNVZYIDKSA-N -1 3 355.398 0.782 10 0 FCAEHM CCC[C@H](CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001572850050 1270258538 /nfs/dbraw/zinc/25/85/38/1270258538.db2.gz WDXWCWIYRZLCEV-YNEHKIRRSA-N -1 3 350.419 0.618 10 0 FCAEHM COCCC(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2c(C)nc(C)[n-]c2=O)C1 ZINC001572893415 1270308486 /nfs/dbraw/zinc/30/84/86/1270308486.db2.gz MPGOPZSBXIRQRY-QMTHXVAHSA-N -1 3 350.419 0.341 10 0 FCAEHM CCC(CC)[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@@H]1O ZINC001573010267 1270496598 /nfs/dbraw/zinc/49/65/98/1270496598.db2.gz VFCZBTFPSLJUTB-HONMWMINSA-N -1 3 364.446 0.864 10 0 FCAEHM COC[C@H](OC)C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)c1cnc[n-]c1=O ZINC001573232843 1270699236 /nfs/dbraw/zinc/69/92/36/1270699236.db2.gz PMZRJGJUVLBGAS-DYEKYZERSA-N -1 3 366.418 0.201 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2c(C)nc[n-]c2=O)CCN1C(=O)CC(=O)N(C)C ZINC001573292672 1270739870 /nfs/dbraw/zinc/73/98/70/1270739870.db2.gz ZGMQWEGNWKQFHP-NWDGAFQWSA-N -1 3 363.418 0.078 10 0 FCAEHM O=C(CCc1ccncn1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O ZINC001574262230 1271137096 /nfs/dbraw/zinc/13/70/96/1271137096.db2.gz ASIUUHAEEZUNDB-SNPRPXQTSA-N -1 3 368.397 0.467 10 0 FCAEHM CC(C)C(=O)N(C)CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2cn[n-]n2)C1 ZINC001574658742 1271459503 /nfs/dbraw/zinc/45/95/03/1271459503.db2.gz DJKKBZNYSXTNPQ-SJCJKPOMSA-N -1 3 362.434 0.030 10 0 FCAEHM CN(CCNC(=O)c1cnc[n-]c1=O)C(=O)[C@@H]1CCO[C@H]1c1ccncc1 ZINC001580868757 1279070659 /nfs/dbraw/zinc/07/06/59/1279070659.db2.gz HOSYGNWJAAUTSY-HIFRSBDPSA-N -1 3 371.397 0.543 10 0 FCAEHM Cn1[n-]c(CNCC2(NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CCCC2)nc1=O ZINC001715097916 1287345097 /nfs/dbraw/zinc/34/50/97/1287345097.db2.gz OONVRVVPPAKNAS-JYKNGBAOSA-N -1 3 361.446 0.050 10 0 FCAEHM COc1nsc(OC)c1C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001603293143 1287348146 /nfs/dbraw/zinc/34/81/46/1287348146.db2.gz VKBKLRODXIAYKQ-MRVPVSSYSA-N -1 3 351.388 0.665 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccnc(O[C@H]2CCOC2)c1 ZINC001603293312 1287348329 /nfs/dbraw/zinc/34/83/29/1287348329.db2.gz VYZYNTKDPMRXDY-KGLIPLIRSA-N -1 3 371.397 0.754 10 0 FCAEHM CC[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC001582564036 1281747665 /nfs/dbraw/zinc/74/76/65/1281747665.db2.gz YITRHYKVOQSWHQ-RTXFEEFZSA-N -1 3 370.409 0.274 10 0 FCAEHM O=C(N[C@H](CO)CNC(=O)[C@]12C[C@H]1CCC2)c1c[n-]c2ccccc2c1=O ZINC001718636369 1287545090 /nfs/dbraw/zinc/54/50/90/1287545090.db2.gz XDHQCJSMTVLNMB-MTJIALIYSA-N -1 3 369.421 0.925 10 0 FCAEHM CS(=O)(=O)N1CCC(CC(=O)NCc2cc(=O)[n-]c(=S)[nH]2)CC1 ZINC001631842176 1282121962 /nfs/dbraw/zinc/12/19/62/1282121962.db2.gz AUXUUCJQQDLJLQ-UHFFFAOYSA-N -1 3 360.461 0.149 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H](CO)CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001718646987 1287550975 /nfs/dbraw/zinc/55/09/75/1287550975.db2.gz RAKVLGPLSFELNJ-JHJVBQTASA-N -1 3 350.419 0.380 10 0 FCAEHM CCOC(=O)c1nnc([C@@H](C)NC(=O)c2[nH]ncc2Br)[n-]1 ZINC001584176378 1282141035 /nfs/dbraw/zinc/14/10/35/1282141035.db2.gz MJGNQZOOQXHTPB-RXMQYKEDSA-N -1 3 357.168 0.958 10 0 FCAEHM O=C(Nc1cc(Br)ccc1[O-])c1cnn(C[C@H](O)CO)c1 ZINC001632247413 1282166263 /nfs/dbraw/zinc/16/62/63/1282166263.db2.gz RXBSUGPDQXZLRG-JTQLQIEISA-N -1 3 356.176 0.957 10 0 FCAEHM Cn1ccnc1[C@@H](O)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001632289969 1282168798 /nfs/dbraw/zinc/16/87/98/1282168798.db2.gz FCWNBSMTXPFLLZ-AWEZNQCLSA-N -1 3 368.401 0.581 10 0 FCAEHM Cn1ccnc1[C@@H](O)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001632289969 1282168808 /nfs/dbraw/zinc/16/88/08/1282168808.db2.gz FCWNBSMTXPFLLZ-AWEZNQCLSA-N -1 3 368.401 0.581 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N(CC2CC2)[C@H](C(N)=O)C2CC2)c(C)o1 ZINC001632430654 1282175042 /nfs/dbraw/zinc/17/50/42/1282175042.db2.gz INBBUQFIOYUJOQ-AWEZNQCLSA-N -1 3 369.443 0.612 10 0 FCAEHM C[C@@H]1OCCO[C@@H]1C(=O)NC1(CNC(=O)c2cccc3n[n-]nc32)CC1 ZINC001584978070 1282187288 /nfs/dbraw/zinc/18/72/88/1282187288.db2.gz RLGBCFITPDPFEM-HZMBPMFUSA-N -1 3 359.386 0.140 10 0 FCAEHM O=C(N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1)c1cc(F)cc2n[n-]nc21 ZINC001632719725 1282201208 /nfs/dbraw/zinc/20/12/08/1282201208.db2.gz DSNMTXXAKSTEDK-MEBBXXQBSA-N -1 3 368.390 0.563 10 0 FCAEHM COc1ccc(C(=O)NCCc2c(C)[n-][nH]c2=O)cc1N1CCNC1=O ZINC001632758067 1282204428 /nfs/dbraw/zinc/20/44/28/1282204428.db2.gz BKFQLLDYCTVJNA-LBPRGKRZSA-N -1 3 359.386 0.467 10 0 FCAEHM CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1c(C)[n-][nH]c1=O ZINC001585163936 1282207250 /nfs/dbraw/zinc/20/72/50/1282207250.db2.gz UQUBBJOGINLNBN-GJZGRUSLSA-N -1 3 360.414 0.972 10 0 FCAEHM C[C@@H](C(=O)NCCCc1c[n-][nH]c1=O)c1ccc(S(C)(=O)=O)cc1 ZINC001585937749 1282258314 /nfs/dbraw/zinc/25/83/14/1282258314.db2.gz ODGDRPNWALZLEL-DGCLKSJQSA-N -1 3 351.428 0.822 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NC2=NCC(=O)N2C)ccc1F ZINC001585991025 1282264599 /nfs/dbraw/zinc/26/45/99/1282264599.db2.gz PDNVHRZVTODFLT-UHFFFAOYSA-N -1 3 356.379 0.070 10 0 FCAEHM CC(=O)[C@@H]1CC(C(=O)NCCCc2c[n-][nH]c2=O)=NN1c1ccccc1 ZINC001634143100 1282303621 /nfs/dbraw/zinc/30/36/21/1282303621.db2.gz DUMONWHKEQTKDI-BBRMVZONSA-N -1 3 355.398 0.839 10 0 FCAEHM CS(=O)(=O)Nc1cc(C(=O)NCCCc2c[n-][nH]c2=O)ccc1F ZINC001634143327 1282304087 /nfs/dbraw/zinc/30/40/87/1282304087.db2.gz JDFNYJRUEBXQJU-SNVBAGLBSA-N -1 3 356.379 0.439 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N[C@H]1Cc2cccc(O)c2C1 ZINC001634243603 1282312606 /nfs/dbraw/zinc/31/26/06/1282312606.db2.gz KUZDEVGRRTVJBA-OLZOCXBDSA-N -1 3 355.398 0.933 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)Cc3ccc(C(N)=O)cc3)CC2)n1 ZINC001634977922 1282369400 /nfs/dbraw/zinc/36/94/00/1282369400.db2.gz NROQROIOYCHJRF-UHFFFAOYSA-N -1 3 355.398 0.481 10 0 FCAEHM CO[C@@H]1COCC[C@H]1CNC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001635478967 1282410352 /nfs/dbraw/zinc/41/03/52/1282410352.db2.gz UJKDGRQZFHKKON-RWMBFGLXSA-N -1 3 351.407 0.112 10 0 FCAEHM CO[C@@H]1COCC[C@H]1CNC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001635478968 1282410814 /nfs/dbraw/zinc/41/08/14/1282410814.db2.gz UJKDGRQZFHKKON-YNEHKIRRSA-N -1 3 351.407 0.112 10 0 FCAEHM C[C@@H](NC(=O)C1CCC2(CC1)NC(=O)NC2=O)c1nc(C(F)(F)F)n[n-]1 ZINC001636086536 1282459506 /nfs/dbraw/zinc/45/95/06/1282459506.db2.gz ZPZMLVFIEFLXIL-CLRFWONCSA-N -1 3 374.323 0.769 10 0 FCAEHM CON(C)C[C@@H](O)Cn1cc(NC(=O)c2c[n-]c3ccccc3c2=O)cn1 ZINC001636418543 1282498281 /nfs/dbraw/zinc/49/82/81/1282498281.db2.gz FOEOQTRJCCBPRN-CYBMUJFWSA-N -1 3 371.397 0.831 10 0 FCAEHM CS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2cc(=O)c([O-])co2)n1 ZINC001636738163 1282532930 /nfs/dbraw/zinc/53/29/30/1282532930.db2.gz QIZJKGRYTIMIJZ-UHFFFAOYSA-N -1 3 358.759 0.727 10 0 FCAEHM Cn1c2cccc(C(=O)N[C@@H]3CCN(c4cc(=O)[n-]cn4)C3)c2oc1=O ZINC001636855766 1282542234 /nfs/dbraw/zinc/54/22/34/1282542234.db2.gz RCJGZWAIMSZJFS-SNVBAGLBSA-N -1 3 355.354 0.636 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cccc(-n2cncn2)n1 ZINC001636854558 1282543089 /nfs/dbraw/zinc/54/30/89/1282543089.db2.gz CJGZPBKWGMRSHT-NSHDSACASA-N -1 3 352.358 0.167 10 0 FCAEHM COc1cc(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)cc(OC)c1O ZINC001636855174 1282543270 /nfs/dbraw/zinc/54/32/70/1282543270.db2.gz KXCQEIFFQDTSEW-NSHDSACASA-N -1 3 360.370 0.914 10 0 FCAEHM O=C(NCc1ccc(=O)[nH]n1)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001637274938 1282583198 /nfs/dbraw/zinc/58/31/98/1282583198.db2.gz NOEUHOMWEACPCR-UHFFFAOYSA-N -1 3 357.301 0.300 10 0 FCAEHM O=C(NCc1ccc(=O)[nH]n1)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001637274938 1282583207 /nfs/dbraw/zinc/58/32/07/1282583207.db2.gz NOEUHOMWEACPCR-UHFFFAOYSA-N -1 3 357.301 0.300 10 0 FCAEHM Cc1ccc2nn[n-]c2c1NC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC001637391046 1282590900 /nfs/dbraw/zinc/59/09/00/1282590900.db2.gz IDSCGQIWRMXZHQ-UHFFFAOYSA-N -1 3 367.369 0.408 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCC3(C2)OCCO3)ccc1F ZINC001637394596 1282592307 /nfs/dbraw/zinc/59/23/07/1282592307.db2.gz CERXTYHOOSSMEV-NSHDSACASA-N -1 3 358.391 0.759 10 0 FCAEHM Cc1ccccc1[C@H]1C(=O)NCCN1C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001638267642 1282678919 /nfs/dbraw/zinc/67/89/19/1282678919.db2.gz FHHHRAPIURUAKD-HNNXBMFYSA-N -1 3 363.381 0.883 10 0 FCAEHM Cc1ccccc1[C@H]1C(=O)NCCN1C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001638267642 1282678932 /nfs/dbraw/zinc/67/89/32/1282678932.db2.gz FHHHRAPIURUAKD-HNNXBMFYSA-N -1 3 363.381 0.883 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)[C@H]2C[C@H](c3ccccc3)OC2=O)[n-]1 ZINC001638577558 1282706425 /nfs/dbraw/zinc/70/64/25/1282706425.db2.gz DELZWFVVVDEHBP-VXGBXAGGSA-N -1 3 358.354 0.902 10 0 FCAEHM CCOC(=O)c1nc(CNC(=O)[C@H]2C[C@H](c3ccccc3)OC2=O)n[n-]1 ZINC001638577558 1282706432 /nfs/dbraw/zinc/70/64/32/1282706432.db2.gz DELZWFVVVDEHBP-VXGBXAGGSA-N -1 3 358.354 0.902 10 0 FCAEHM C[C@H](CC(=O)NC[C@@H]1CNC(=O)C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC001639187174 1282757059 /nfs/dbraw/zinc/75/70/59/1282757059.db2.gz PJFOFESAJGOMTQ-NXEZZACHSA-N -1 3 374.850 0.044 10 0 FCAEHM O=C(N[C@@H](CO)C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1)OCc1ccccc1 ZINC001639639801 1282800367 /nfs/dbraw/zinc/80/03/67/1282800367.db2.gz IVBXUABRBLJMMC-ZFWWWQNUSA-N -1 3 374.397 0.719 10 0 FCAEHM Cc1cc(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)c2cnn(C)c2n1 ZINC001640104644 1282840023 /nfs/dbraw/zinc/84/00/23/1282840023.db2.gz JMLRLZHYMVGVQD-LLVKDONJSA-N -1 3 353.386 0.781 10 0 FCAEHM COC(=O)c1cccc(CC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)c1 ZINC001640110768 1282841050 /nfs/dbraw/zinc/84/10/50/1282841050.db2.gz VYEHCFYPZDTLBD-CQSZACIVSA-N -1 3 356.382 0.906 10 0 FCAEHM CCc1nnc([C@@H]2C[C@@H](O)CN2C(=O)c2cc(NC(C)=O)ccc2[O-])[nH]1 ZINC001640698692 1282890769 /nfs/dbraw/zinc/89/07/69/1282890769.db2.gz QZSBYILUXSTWKA-YPMHNXCESA-N -1 3 359.386 0.979 10 0 FCAEHM O=C(NC[C@@]1(OCCO)CCOC1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001641135002 1282925667 /nfs/dbraw/zinc/92/56/67/1282925667.db2.gz SBEIDVBCSOTERT-KRWDZBQOSA-N -1 3 368.336 0.704 10 0 FCAEHM COc1ccccc1N1C[C@@H](C(=O)NCCCc2c[n-][nH]c2=O)CC1=O ZINC001641483812 1282957125 /nfs/dbraw/zinc/95/71/25/1282957125.db2.gz QEMZRFXNYBJTGZ-STQMWFEESA-N -1 3 358.398 0.676 10 0 FCAEHM C[C@@]1(C2CCN(C(=O)CNC(=O)c3ccc([O-])cc3)CC2)COC(=O)N1 ZINC001641871540 1282977490 /nfs/dbraw/zinc/97/74/90/1282977490.db2.gz WGVTYLMIFDZAHU-SFHVURJKSA-N -1 3 361.398 0.859 10 0 FCAEHM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cccnc1)NC(=O)c1cnc[n-]c1=O ZINC001680177896 1283399335 /nfs/dbraw/zinc/39/93/35/1283399335.db2.gz UBHYRLRATWNGSF-FPMFFAJLSA-N -1 3 355.398 0.958 10 0 FCAEHM CN(C[C@H](O)CNC(=O)[C@@H]1CCO[C@H]1C1CC1)C(=O)c1ccccc1[O-] ZINC001680760123 1283438230 /nfs/dbraw/zinc/43/82/30/1283438230.db2.gz BODLQPWRMIJFLL-UNEWFSDZSA-N -1 3 362.426 0.756 10 0 FCAEHM O=C(NCc1nc(C(F)(F)F)n[n-]1)NC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001681888866 1283513412 /nfs/dbraw/zinc/51/34/12/1283513412.db2.gz ZKNCTRDAJSJFTF-IEESLHIDSA-N -1 3 367.353 0.731 10 0 FCAEHM COC(=O)C[C@@H](CNC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)C1CC1 ZINC001682728402 1283761173 /nfs/dbraw/zinc/76/11/73/1283761173.db2.gz WLTASGAQACVISO-QWHCGFSZSA-N -1 3 363.418 0.649 10 0 FCAEHM CCCC[C@H](CC)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@@H]1O ZINC001683364317 1283956091 /nfs/dbraw/zinc/95/60/91/1283956091.db2.gz CEAHYEYKIYZQGF-YUTCNCBUSA-N -1 3 350.419 0.700 10 0 FCAEHM CC/C=C(/C)C(=O)N[C@@H]1CN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C[C@@H]1O ZINC001683375124 1283961287 /nfs/dbraw/zinc/96/12/87/1283961287.db2.gz BBUCEKJJTLZCGZ-JYTFZEJGSA-N -1 3 371.393 0.228 10 0 FCAEHM C[C@@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)C1N=NC(=O)N1C ZINC001684241290 1284149253 /nfs/dbraw/zinc/14/92/53/1284149253.db2.gz CCKHDTVKYLCUTH-LLVKDONJSA-N -1 3 374.401 0.455 10 0 FCAEHM COc1ccc(CC(=O)NC[C@H]2CC[C@@H](NC(=O)c3cn[n-]n3)C2)nc1 ZINC001684531015 1284194124 /nfs/dbraw/zinc/19/41/24/1284194124.db2.gz MFRPSWQMJASDRF-WCQYABFASA-N -1 3 358.402 0.466 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CC[C@](O)(C(F)(F)F)C1 ZINC001684556214 1284199740 /nfs/dbraw/zinc/19/97/40/1284199740.db2.gz LUEGHYTVBXIMHJ-TVQRCGJNSA-N -1 3 361.324 0.470 10 0 FCAEHM CC(C)n1cnnc1CN(C)C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001684560247 1284200871 /nfs/dbraw/zinc/20/08/71/1284200871.db2.gz FDWJLOIIERXKFS-LBPRGKRZSA-N -1 3 360.422 0.775 10 0 FCAEHM CC[C@@H](CC(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1O)C(C)(C)C ZINC001719115712 1287770685 /nfs/dbraw/zinc/77/06/85/1287770685.db2.gz RMILEGUQCREZNZ-IACUBPJLSA-N -1 3 364.446 0.946 10 0 FCAEHM CCCCOCC(=O)N1CC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@@H]2C1 ZINC001702659361 1285773707 /nfs/dbraw/zinc/77/37/07/1285773707.db2.gz UWUGLQNEYLHNDS-KGLIPLIRSA-N -1 3 362.430 0.919 10 0 FCAEHM CCO[C@H](CC)C(=O)NC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001702793052 1285872519 /nfs/dbraw/zinc/87/25/19/1285872519.db2.gz FJYQDOFBVVQJLU-YRGRVCCFSA-N -1 3 350.419 0.822 10 0 FCAEHM CCOCCOCC(=O)NC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001702812161 1285904688 /nfs/dbraw/zinc/90/46/88/1285904688.db2.gz ZTHDGKRFRPMNDL-CHWSQXEVSA-N -1 3 366.418 0.060 10 0 FCAEHM C[C@@H](OCC1CC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O ZINC001702897637 1285977382 /nfs/dbraw/zinc/97/73/82/1285977382.db2.gz IFPZTOBFFUPMTD-DWZYQQQCSA-N -1 3 360.414 0.859 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCOC1 ZINC001702997220 1286044751 /nfs/dbraw/zinc/04/47/51/1286044751.db2.gz IVNSHVMVJGWRKS-XNISGKROSA-N -1 3 374.441 0.708 10 0 FCAEHM O=C(NCC1CC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccccc1[O-] ZINC001703014040 1286053748 /nfs/dbraw/zinc/05/37/48/1286053748.db2.gz ISCUGCBDBKTZRA-YUELXQCFSA-N -1 3 357.410 0.780 10 0 FCAEHM CS(=O)(=O)c1ccc(C=CC(=O)N2CCC(Cc3nnn[n-]3)CC2)o1 ZINC001593936021 1286221821 /nfs/dbraw/zinc/22/18/21/1286221821.db2.gz MUHAUPAAYSQXBS-DUXPYHPUSA-N -1 3 365.415 0.691 10 0 FCAEHM CS(=O)(=O)c1ccc(C=CC(=O)N2CCC(Cc3nn[n-]n3)CC2)o1 ZINC001593936021 1286221826 /nfs/dbraw/zinc/22/18/26/1286221826.db2.gz MUHAUPAAYSQXBS-DUXPYHPUSA-N -1 3 365.415 0.691 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CC[C@@H](NC(=O)c3coc(S(C)(=O)=O)c3)C2)n1 ZINC001595968198 1286275519 /nfs/dbraw/zinc/27/55/19/1286275519.db2.gz FUGXEEWCXQYYQE-LLVKDONJSA-N -1 3 366.399 0.496 10 0 FCAEHM CN(C)C(=O)/C=C/C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001596983163 1286323542 /nfs/dbraw/zinc/32/35/42/1286323542.db2.gz RVXSJRWMANRCEG-SNAWJCMRSA-N -1 3 365.864 0.440 10 0 FCAEHM COC(=O)Cc1csc(N(C(O)c2coc(=O)[n-]2)N2CCCCC2)n1 ZINC001597926056 1286370403 /nfs/dbraw/zinc/37/04/03/1286370403.db2.gz AMCIPABKJDBLQN-NSHDSACASA-N -1 3 368.415 0.701 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NCC1(NC(=O)[C@@H]2C[C@H]2c2cncn2C)CC1 ZINC001705288841 1286373274 /nfs/dbraw/zinc/37/32/74/1286373274.db2.gz GQQOIQFVPVWGLL-VXGBXAGGSA-N -1 3 370.413 0.406 10 0 FCAEHM C[C@]1([N-]C(=O)C(F)F)CCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 ZINC001705378164 1286385467 /nfs/dbraw/zinc/38/54/67/1286385467.db2.gz SCZLWKWXAWADGT-LWINAJNOSA-N -1 3 360.279 0.705 10 0 FCAEHM O=C(N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@@H]1O)C1(C(F)F)CCCC1 ZINC001735951205 1289077358 /nfs/dbraw/zinc/07/73/58/1289077358.db2.gz GVSDWCSLIORQHB-MNOVXSKESA-N -1 3 370.356 0.309 10 0 FCAEHM CC[C@@H](F)CN1CC[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)[C@H]1CC ZINC001707205291 1286512589 /nfs/dbraw/zinc/51/25/89/1286512589.db2.gz QGQHEWFVBVDEHT-HZSPNIEDSA-N -1 3 354.426 0.644 10 0 FCAEHM COC(=O)c1cc(NC(=O)C2CC3(C2)CS(=O)(=O)C3)c([O-])c(OC)c1 ZINC001603063819 1287201265 /nfs/dbraw/zinc/20/12/65/1287201265.db2.gz FVQUGQZIGDDOIO-UHFFFAOYSA-N -1 3 369.395 0.951 10 0 FCAEHM CS(=O)(=O)CC(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001736087019 1289135428 /nfs/dbraw/zinc/13/54/28/1289135428.db2.gz LFXUAGUSZROOCY-NWDGAFQWSA-N -1 3 354.428 0.452 10 0 FCAEHM CCC[C@@H](OC)C(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1C ZINC001719193430 1287854425 /nfs/dbraw/zinc/85/44/25/1287854425.db2.gz VGSPQTGBMGASJQ-RAIGVLPGSA-N -1 3 350.419 0.882 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CC[C@H](CNC(=O)Cc2cc[nH]n2)C1 ZINC001736092856 1289139798 /nfs/dbraw/zinc/13/97/98/1289139798.db2.gz ZANMRMMINMVKOP-NWDGAFQWSA-N -1 3 358.402 0.471 10 0 FCAEHM CO[C@@H]1CN(C(=O)C[C@H](C)SC)C[C@H]1NC(=O)c1cnc[n-]c1=O ZINC001719233079 1287912699 /nfs/dbraw/zinc/91/26/99/1287912699.db2.gz NQUDKBDSBKXURU-MVWJERBFSA-N -1 3 354.432 0.279 10 0 FCAEHM CC[C@@H](F)C(=O)N[C@@H]1CN(C(=O)Cc2c(C)nc(C)[n-]c2=O)C[C@H]1OC ZINC001719241176 1287931577 /nfs/dbraw/zinc/93/15/77/1287931577.db2.gz QEOXQRLIJJCPHS-MGPQQGTHSA-N -1 3 368.409 0.432 10 0 FCAEHM CC(C)CC(=O)N[C@@H]1CN(C(=O)c2cc(=O)c3ccccc3[n-]2)C[C@@H]1O ZINC001719251302 1287950576 /nfs/dbraw/zinc/95/05/76/1287950576.db2.gz GYECYAMJNUHALW-WBVHZDCISA-N -1 3 357.410 0.876 10 0 FCAEHM CC[C@H](OC)C(=O)NCc1nc(CNC(=O)[C@@H]2C[C@H]2CC)cc(=O)[n-]1 ZINC001719522613 1288166428 /nfs/dbraw/zinc/16/64/28/1288166428.db2.gz RJWOGZJIZNWEIY-RTXFEEFZSA-N -1 3 350.419 0.886 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)N(CC)CCNC(=O)c1c(C)nc[n-]c1=O ZINC001721164458 1288305067 /nfs/dbraw/zinc/30/50/67/1288305067.db2.gz FJGVSIPZDHSFCC-OLZOCXBDSA-N -1 3 350.419 0.884 10 0 FCAEHM COCCCS(=O)(=O)[N-]CC(=O)N=[S@](C)(=O)c1cccc(F)c1 ZINC001607007220 1288587779 /nfs/dbraw/zinc/58/77/79/1288587779.db2.gz WUBBHYYSLQDYGT-JOCHJYFZSA-N -1 3 366.436 0.765 10 0 FCAEHM O=C(NC1(CCO)CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1)c1cnc[n-]c1=O ZINC001734825505 1288685363 /nfs/dbraw/zinc/68/53/63/1288685363.db2.gz QWVMXZWCJKDYTD-MELADBBJSA-N -1 3 374.441 0.702 10 0 FCAEHM CN(CCOCCNC(=O)c1cnc[n-]c1=O)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001735119878 1288701211 /nfs/dbraw/zinc/70/12/11/1288701211.db2.gz YFTULHQHTXEJFW-QLFBSQMISA-N -1 3 374.441 0.989 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1NC(=O)CCc1cnn(C)n1 ZINC001735854031 1288952664 /nfs/dbraw/zinc/95/26/64/1288952664.db2.gz XLOBIFGQYFYQOC-IUODEOHRSA-N -1 3 357.414 0.730 10 0 FCAEHM CCC[C@H](OCC)C(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@H](OC)C1 ZINC001735883911 1288988292 /nfs/dbraw/zinc/98/82/92/1288988292.db2.gz RIRLEDFQBWPAFH-HZSPNIEDSA-N -1 3 366.418 0.343 10 0 FCAEHM CCC[C@@H](C)C(=O)NCc1nc(CNC(=O)[C@]23C[C@H]2COC3)cc(=O)[n-]1 ZINC001736172305 1289188115 /nfs/dbraw/zinc/18/81/15/1289188115.db2.gz PJOYBGKRZNHZAV-SOZUMNATSA-N -1 3 362.430 0.887 10 0 FCAEHM C[C@H](CN(C)C(=O)c1ccc(CN2CCN(C)CC2)s1)c1nn[n-]n1 ZINC001611062351 1289626256 /nfs/dbraw/zinc/62/62/56/1289626256.db2.gz BOISNPIJGCTWPM-GFCCVEGCSA-N -1 3 363.491 0.884 10 0 FCAEHM COC(=O)[C@@H](NCCCNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)C(C)C ZINC001611334868 1289642140 /nfs/dbraw/zinc/64/21/40/1289642140.db2.gz AWMNLMCHGYIPGU-AWEZNQCLSA-N -1 3 361.398 0.477 10 0 FCAEHM C[C@@H](CN(C)C(=O)[C@]12C[C@H]1COC2)NC(=O)c1nnc2ccccc2c1[O-] ZINC001701627208 1289674693 /nfs/dbraw/zinc/67/46/93/1289674693.db2.gz GIIVBSLEEKRQFK-ZKTNFTSUSA-N -1 3 370.409 0.949 10 0 FCAEHM C[C@H](CN(C)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O)NC(=O)[C@]12C[C@H]1COC2 ZINC001738838195 1289739115 /nfs/dbraw/zinc/73/91/15/1289739115.db2.gz NSDJUHNAASGEAF-FKWBGFQESA-N -1 3 371.393 0.183 10 0 FCAEHM O=C(N[C@@H](CO)CNC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1)c1cn[n-]n1 ZINC001738895260 1289756192 /nfs/dbraw/zinc/75/61/92/1289756192.db2.gz XTVVPFZUJXDTAH-RBSFLKMASA-N -1 3 357.414 0.596 10 0 FCAEHM Cn1cc(N2C[C@@H](C(=O)N3CCc4nc[n-]c(=O)c4C3)CCC2=O)cn1 ZINC001616765204 1289792294 /nfs/dbraw/zinc/79/22/94/1289792294.db2.gz NYFXUEITELZFHW-NSHDSACASA-N -1 3 356.386 0.244 10 0 FCAEHM O=C(CN1CC[C@H](c2nnn[n-]2)C1)N1CCN(Cc2ccsc2)CC1 ZINC001620536177 1289997418 /nfs/dbraw/zinc/99/74/18/1289997418.db2.gz NZTWAYAAYUOLIL-AWEZNQCLSA-N -1 3 361.475 0.395 10 0 FCAEHM O=C(CN1CC[C@H](c2nn[n-]n2)C1)N1CCN(Cc2ccsc2)CC1 ZINC001620536177 1289997426 /nfs/dbraw/zinc/99/74/26/1289997426.db2.gz NZTWAYAAYUOLIL-AWEZNQCLSA-N -1 3 361.475 0.395 10 0 FCAEHM COC(=O)[C@](C)(Cc1ccc(F)cc1)NCc1cc(=O)n2nc(N)[n-]c2n1 ZINC001620540099 1289998308 /nfs/dbraw/zinc/99/83/08/1289998308.db2.gz GDQHMKWOGPQDSK-KRWDZBQOSA-N -1 3 374.376 0.403 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1NC(=O)CCc1ccn(C)n1 ZINC001739515919 1290097707 /nfs/dbraw/zinc/09/77/07/1290097707.db2.gz UROJDSHAMHHENU-BXUZGUMPSA-N -1 3 358.402 0.125 10 0 FCAEHM CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)c1ccnc2n[nH]nc21 ZINC001622157245 1290100808 /nfs/dbraw/zinc/10/08/08/1290100808.db2.gz LNUGIDPHVXKUTL-UHFFFAOYSA-N -1 3 364.362 0.794 10 0 FCAEHM CCOC(=O)C[C@H](C)NC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001625152559 1290323552 /nfs/dbraw/zinc/32/35/52/1290323552.db2.gz RERPMQWYAJMIHT-JTQLQIEISA-N -1 3 363.345 0.945 10 0 FCAEHM CCOC(=O)C[C@H](C)NC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001625152559 1290323562 /nfs/dbraw/zinc/32/35/62/1290323562.db2.gz RERPMQWYAJMIHT-JTQLQIEISA-N -1 3 363.345 0.945 10 0 FCAEHM Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1C(=O)c1cnncc1[O-] ZINC001625344056 1290336076 /nfs/dbraw/zinc/33/60/76/1290336076.db2.gz RDVASJLNFBOHAI-HNNXBMFYSA-N -1 3 352.354 0.452 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](NC(=O)CCc2ccccc2)[C@@H](O)C1 ZINC001739681503 1290352031 /nfs/dbraw/zinc/35/20/31/1290352031.db2.gz GERNHQIFFKXPJP-CABCVRRESA-N -1 3 370.409 0.425 10 0 FCAEHM O=C(c1nc[n-]c(=O)c1Br)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC001626345654 1290391330 /nfs/dbraw/zinc/39/13/30/1290391330.db2.gz LNMTWZGUDFQTNG-NXEZZACHSA-N -1 3 371.235 0.616 10 0 FCAEHM C[C@@]1(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CCN(C(=O)c2cnc[n-]c2=O)C1 ZINC001739845696 1290408373 /nfs/dbraw/zinc/40/83/73/1290408373.db2.gz ODCJJEOIOWWWQK-QDTBLXIISA-N -1 3 360.414 0.718 10 0 FCAEHM C[C@H](NC(=O)/C=C\CN1CCOCC1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001627090601 1290436300 /nfs/dbraw/zinc/43/63/00/1290436300.db2.gz KRLJHCGARJBISG-WFVZMWEJSA-N -1 3 362.430 0.755 10 0 FCAEHM CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1c(C)[n-][nH]c1=O ZINC001627151997 1290440748 /nfs/dbraw/zinc/44/07/48/1290440748.db2.gz ADXJQXFIHBIHJJ-MNOVXSKESA-N -1 3 370.406 0.071 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@]1(C)CN(C(=O)OC(C)(C)C)CCO1 ZINC001627153372 1290441947 /nfs/dbraw/zinc/44/19/47/1290441947.db2.gz ROXBWQSVLLDVRR-SJKOYZFVSA-N -1 3 368.434 0.641 10 0 FCAEHM CC(C)CC(=O)NCc1nc(CNC(=O)[C@H]2OCCO[C@H]2C)cc(=O)[n-]1 ZINC001739980396 1290457582 /nfs/dbraw/zinc/45/75/82/1290457582.db2.gz JEPJMRAMHVGDGL-ZBEGNZNMSA-N -1 3 366.418 0.265 10 0 FCAEHM O=C(CCN1C(=O)NC2(CCCC2)C1=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001628246546 1290519049 /nfs/dbraw/zinc/51/90/49/1290519049.db2.gz RACIWDPJWCLFPJ-NSHDSACASA-N -1 3 361.402 0.686 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1[nH]ncc1I ZINC001628274416 1290523095 /nfs/dbraw/zinc/52/30/95/1290523095.db2.gz KLBSULARBSTSJA-ZCFIWIBFSA-N -1 3 361.143 0.256 10 0 FCAEHM C[C@H]([C@@H](C)C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)S(C)(=O)=O ZINC001629053538 1290572970 /nfs/dbraw/zinc/57/29/70/1290572970.db2.gz FYZCVTMWUVMTLX-RKDXNWHRSA-N -1 3 355.416 0.590 10 0 FCAEHM CS(=O)(=O)c1cc(C(=O)NCCCc2c[n-][nH]c2=O)ccc1Cl ZINC001630631867 1290682255 /nfs/dbraw/zinc/68/22/55/1290682255.db2.gz NOFMPULSDSBCSU-SNVBAGLBSA-N -1 3 357.819 0.985 10 0 FCAEHM Cc1nnnn1C(=Cc1ccc(F)cc1)C(=O)NCCCc1c[n-][nH]c1=O ZINC001630631664 1290682322 /nfs/dbraw/zinc/68/23/22/1290682322.db2.gz LUOZQBCKSUOQMJ-GRRFOWRYSA-N -1 3 371.376 0.747 10 0 FCAEHM CNC(=O)COc1ccc(C(=O)NCCCc2c[n-][nH]c2=O)cc1OC ZINC001630630673 1290683096 /nfs/dbraw/zinc/68/30/96/1290683096.db2.gz ABJQGOOMVJIWPW-GFCCVEGCSA-N -1 3 362.386 0.062 10 0 FCAEHM CS(=O)(=O)c1cc(C(=O)NCCCc2c[n-][nH]c2=O)ccc1Cl ZINC001630631866 1290683288 /nfs/dbraw/zinc/68/32/88/1290683288.db2.gz NOFMPULSDSBCSU-JTQLQIEISA-N -1 3 357.819 0.985 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C(=O)OC)c2ccnn2C)c1 ZINC001630881805 1290707241 /nfs/dbraw/zinc/70/72/41/1290707241.db2.gz YGETYRIWLSJAJK-OAHLLOKOSA-N -1 3 358.354 0.894 10 0 FCAEHM COC(=O)c1ccn(CCCC(=O)N2CCC(Cc3nnn[n-]3)CC2)n1 ZINC001643900354 1290924613 /nfs/dbraw/zinc/92/46/13/1290924613.db2.gz YXXQGZHKOMFJCZ-UHFFFAOYSA-N -1 3 361.406 0.444 10 0 FCAEHM COC(=O)c1ccn(CCCC(=O)N2CCC(Cc3nn[n-]n3)CC2)n1 ZINC001643900354 1290924620 /nfs/dbraw/zinc/92/46/20/1290924620.db2.gz YXXQGZHKOMFJCZ-UHFFFAOYSA-N -1 3 361.406 0.444 10 0 FCAEHM CN(CC(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1)[C@@H]1CCC[C@H]1O ZINC001644033625 1290936463 /nfs/dbraw/zinc/93/64/63/1290936463.db2.gz FFRNPKGGRIIULQ-JTNHKYCSSA-N -1 3 351.369 0.501 10 0 FCAEHM C[C@](O)(CN1Cc2ccccc2C1=O)C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001644260783 1290950475 /nfs/dbraw/zinc/95/04/75/1290950475.db2.gz GMDKJWFOAAABBL-DJJJIMSYSA-N -1 3 370.409 0.838 10 0 FCAEHM CNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)cn1 ZINC001644260538 1290950928 /nfs/dbraw/zinc/95/09/28/1290950928.db2.gz AYYFNKVDHUZZDV-JTQLQIEISA-N -1 3 351.388 0.048 10 0 FCAEHM CC(C)(C)OC(=O)N[C@H](C(=O)NCc1cc(=O)[n-]c(=S)[nH]1)C(C)(C)O ZINC001644273357 1290951664 /nfs/dbraw/zinc/95/16/64/1290951664.db2.gz YGOQRNZEYWUWHK-SNVBAGLBSA-N -1 3 372.447 0.751 10 0 FCAEHM O=C(CNC(=O)Cc1cccc(F)c1)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001644268526 1290951731 /nfs/dbraw/zinc/95/17/31/1290951731.db2.gz BIERIPTZWVGEAH-UHFFFAOYSA-N -1 3 350.375 0.585 10 0 FCAEHM Cn1c(=O)c2ccc(C(=O)N3C[C@@H]4CCCN4C[C@@H]3CO)cc2[n-]c1=S ZINC001644702881 1290974509 /nfs/dbraw/zinc/97/45/09/1290974509.db2.gz XOPJAADGORBXEH-QWHCGFSZSA-N -1 3 374.466 0.503 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)c3cccc(NC(N)=O)c3)CC2)n1 ZINC001645591253 1291036789 /nfs/dbraw/zinc/03/67/89/1291036789.db2.gz GGWIHENOXIXBHC-UHFFFAOYSA-N -1 3 356.386 0.944 10 0 FCAEHM O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NCCCc1c[n-][nH]c1=O ZINC001647858463 1291078834 /nfs/dbraw/zinc/07/88/34/1291078834.db2.gz HMMONUOHCMVMBN-SNVBAGLBSA-N -1 3 372.834 0.247 10 0 FCAEHM COc1cnc(C2(NC(=O)CN3CCC(CO)CC3)CCCC2)[n-]c1=O ZINC001647885106 1291081432 /nfs/dbraw/zinc/08/14/32/1291081432.db2.gz LKCLHGRAMICUGK-UHFFFAOYSA-N -1 3 364.446 0.781 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)N[C@H](CO)Cc2cncs2)c([O-])c1 ZINC001648075387 1291100261 /nfs/dbraw/zinc/10/02/61/1291100261.db2.gz MIFNMIFMVCJDGL-LBPRGKRZSA-N -1 3 363.439 0.997 10 0 FCAEHM CCO[C@H](C(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1C)C1CC1 ZINC001649486494 1291159530 /nfs/dbraw/zinc/15/95/30/1291159530.db2.gz CEBLCAAQFSXJMB-YVLXSGLVSA-N -1 3 362.430 0.882 10 0 FCAEHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1CCN(CCc2cnccn2)CC1 ZINC001650771226 1291179015 /nfs/dbraw/zinc/17/90/15/1291179015.db2.gz XOPALJPMAZUCRM-UHFFFAOYSA-N -1 3 365.401 0.052 10 0 FCAEHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1CCN(CCc2cnccn2)CC1 ZINC001650771226 1291179019 /nfs/dbraw/zinc/17/90/19/1291179019.db2.gz XOPALJPMAZUCRM-UHFFFAOYSA-N -1 3 365.401 0.052 10 0 FCAEHM O=C(Cn1nnnc1-c1ccccc1)N1CCC(Cc2nnn[n-]2)CC1 ZINC001651238793 1291209208 /nfs/dbraw/zinc/20/92/08/1291209208.db2.gz RGBKWIAXSCBJKU-UHFFFAOYSA-N -1 3 353.390 0.335 10 0 FCAEHM O=C(Cn1nnnc1-c1ccccc1)N1CCC(Cc2nn[n-]n2)CC1 ZINC001651238793 1291209214 /nfs/dbraw/zinc/20/92/14/1291209214.db2.gz RGBKWIAXSCBJKU-UHFFFAOYSA-N -1 3 353.390 0.335 10 0 FCAEHM Brc1nnc2ccc(N3CCC(c4nnn[n-]4)CC3)nn12 ZINC001651342842 1291217714 /nfs/dbraw/zinc/21/77/14/1291217714.db2.gz OBMHRXZWZBXIME-UHFFFAOYSA-N -1 3 350.184 0.784 10 0 FCAEHM Brc1nnc2ccc(N3CCC(c4nn[n-]n4)CC3)nn12 ZINC001651342842 1291217719 /nfs/dbraw/zinc/21/77/19/1291217719.db2.gz OBMHRXZWZBXIME-UHFFFAOYSA-N -1 3 350.184 0.784 10 0 FCAEHM O=C(c1cc(=O)[n-]cn1)N1CCC(S(=O)(=O)N2CCCCC2)CC1 ZINC001652500794 1291282168 /nfs/dbraw/zinc/28/21/68/1291282168.db2.gz LBMSCXPGFMJHQN-UHFFFAOYSA-N -1 3 354.432 0.603 10 0 FCAEHM CN(C)S(=O)(=O)CCC(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001653451183 1291344621 /nfs/dbraw/zinc/34/46/21/1291344621.db2.gz DNFMVLAMJHQHHN-HAQNSBGRSA-N -1 3 356.448 0.606 10 0 FCAEHM COC(=O)CC1(NCc2cc(=O)[n-]c(C3CC3)n2)CCS(=O)(=O)CC1 ZINC001658331911 1291621241 /nfs/dbraw/zinc/62/12/41/1291621241.db2.gz CCAIUAISZJADEK-UHFFFAOYSA-N -1 3 369.443 0.660 10 0 FCAEHM Cn1[n-]c(CNCCc2ccc(CNC(=O)[C@]34C[C@H]3COC4)cc2)nc1=O ZINC001662805113 1291734276 /nfs/dbraw/zinc/73/42/76/1291734276.db2.gz FHRNEDRNHSPLRZ-KXBFYZLASA-N -1 3 371.441 0.093 10 0 FCAEHM NC(=O)CC1CC(NC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)C1 ZINC001685219546 1292457472 /nfs/dbraw/zinc/45/74/72/1292457472.db2.gz YDJXKPKYVSSCHN-KPPDAEKUSA-N -1 3 364.368 0.741 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)COCc2cccnc2)CCN1C(=O)c1cnc[n-]c1=O ZINC001685344978 1292508558 /nfs/dbraw/zinc/50/85/58/1292508558.db2.gz OHYUXEQOPCAMGC-DOMZBBRYSA-N -1 3 371.397 0.513 10 0 FCAEHM CNC(=O)NCC(=O)N1C[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@]2(C)C1 ZINC001685487944 1292538351 /nfs/dbraw/zinc/53/83/51/1292538351.db2.gz MGAZULIBESGIHH-XIKOKIGWSA-N -1 3 360.414 0.242 10 0 FCAEHM CNC(=O)NCC(=O)N1C[C@H]2CN(C(=O)c3ccccc3[O-])C[C@@]2(C)C1 ZINC001685540849 1292553445 /nfs/dbraw/zinc/55/34/45/1292553445.db2.gz MGAZULIBESGIHH-KPZWWZAWSA-N -1 3 360.414 0.242 10 0 FCAEHM COc1cccc([C@@H](O)CNC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)c1 ZINC001685645302 1292581253 /nfs/dbraw/zinc/58/12/53/1292581253.db2.gz PYPAJNCXEAEZII-HIFRSBDPSA-N -1 3 373.413 0.802 10 0 FCAEHM CC(C)(CN1CCOCC1)NC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001685649991 1292583089 /nfs/dbraw/zinc/58/30/89/1292583089.db2.gz VRMMXDYUQMTHJB-CYBMUJFWSA-N -1 3 364.450 0.171 10 0 FCAEHM CO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCc1c(C)nc[n-]c1=O ZINC001685969231 1292712832 /nfs/dbraw/zinc/71/28/32/1292712832.db2.gz QDDTWLJEISHDTQ-NEBZKDRISA-N -1 3 362.430 0.706 10 0 FCAEHM COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC001686215513 1292830931 /nfs/dbraw/zinc/83/09/31/1292830931.db2.gz KSOLVEXDRSVMJF-HTRCEHHLSA-N -1 3 351.285 0.201 10 0 FCAEHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C[C@H]1CN2CCN1CCC2 ZINC000394675162 836063687 /nfs/dbraw/zinc/06/36/87/836063687.db2.gz RNDNQHAJNPLHFN-ZDUSSCGKSA-N -1 3 371.434 0.281 10 0 FCAEHM COC(=O)Nc1ccc(C(=O)O[C@H](C)C(=O)N2CCNC2=O)cc1[O-] ZINC000745652294 836143997 /nfs/dbraw/zinc/14/39/97/836143997.db2.gz HTTLWJTUHZTSCX-MRVPVSSYSA-N -1 3 351.315 0.668 10 0 FCAEHM COC(=O)/C(C)=C\COC(=O)c1ccc(S(=O)(=O)[N-]CCO)s1 ZINC000748196407 836290737 /nfs/dbraw/zinc/29/07/37/836290737.db2.gz KEJGBCHXWPAYCJ-UITAMQMPSA-N -1 3 363.413 0.295 10 0 FCAEHM CC(C)(C)OCC(=O)NC(C)(C)C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC001118301635 847370686 /nfs/dbraw/zinc/37/06/86/847370686.db2.gz JOCDVICVNSOUMM-UHFFFAOYSA-N -1 3 350.419 0.777 10 0 FCAEHM COC(=O)[C@@]1(N2CCN(C(=O)c3ccc(O)cc3[O-])CC2)CCOC1 ZINC001118882498 847618468 /nfs/dbraw/zinc/61/84/68/847618468.db2.gz QWKNHRKBZDPDRA-QGZVFWFLSA-N -1 3 350.371 0.188 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)ccc1F ZINC001118984513 847663218 /nfs/dbraw/zinc/66/32/18/847663218.db2.gz DNSZIQHSJMHPKD-YMYJPDDMSA-N -1 3 354.403 0.887 10 0 FCAEHM C[C@H]1CN(C(=O)c2nc[n-]c(=O)c2Br)CCN1CC(C)(C)O ZINC001138270872 849305506 /nfs/dbraw/zinc/30/55/06/849305506.db2.gz AWDJJAWVMBGDAE-VIFPVBQESA-N -1 3 373.251 0.862 10 0 FCAEHM CN(C)CCSc1nc(CC(=O)NCCc2nc(=O)o[n-]2)cs1 ZINC001139476449 849341423 /nfs/dbraw/zinc/34/14/23/849341423.db2.gz FDEFJELXPDSRBP-UHFFFAOYSA-N -1 3 357.461 0.375 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2[C@H](C)CC[C@@H](C(N)=O)[C@@H]2C)ccc1F ZINC001143585401 849493153 /nfs/dbraw/zinc/49/31/53/849493153.db2.gz UNMQHJQJPLHBOH-JFGNBEQYSA-N -1 3 371.434 0.848 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCCOCCS(C)(=O)=O)c1 ZINC001147083460 849574382 /nfs/dbraw/zinc/57/43/82/849574382.db2.gz DNDPSMXYSQUOQU-UHFFFAOYSA-N -1 3 356.400 0.308 10 0 FCAEHM O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCCc1c[n-][nH]c1=O ZINC001149263694 849634167 /nfs/dbraw/zinc/63/41/67/849634167.db2.gz WNUGVWGTFKROLX-UHXUPSOCSA-N -1 3 367.475 0.340 10 0 FCAEHM O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21)NCCCc1c[n-][nH]c1=O ZINC001149263693 849634579 /nfs/dbraw/zinc/63/45/79/849634579.db2.gz WNUGVWGTFKROLX-OWTLIXCDSA-N -1 3 367.475 0.340 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2C[C@@H](N3CCOCC3)C2(C)C)co1 ZINC001164313423 850404928 /nfs/dbraw/zinc/40/49/28/850404928.db2.gz HZNFJOODZZFAEC-QWHCGFSZSA-N -1 3 371.459 0.417 10 0 FCAEHM NS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)s1 ZINC001164323726 850408041 /nfs/dbraw/zinc/40/80/41/850408041.db2.gz YUVDXXVBKVRKMM-QMMMGPOBSA-N -1 3 356.429 0.383 10 0 FCAEHM C[C@@H](C(=O)N(C)CC(=O)NCc1cc(=O)[n-]c(=S)[nH]1)n1cccn1 ZINC001164348100 850408976 /nfs/dbraw/zinc/40/89/76/850408976.db2.gz DYCDWLRCNWRDAY-VIFPVBQESA-N -1 3 350.404 0.003 10 0 FCAEHM CN(C)S(=O)(=O)c1cc(C(=O)NCCCc2c[n-][nH]c2=O)ccc1F ZINC001168404491 850585510 /nfs/dbraw/zinc/58/55/10/850585510.db2.gz MYJGCTVHQOAGMX-NSHDSACASA-N -1 3 370.406 0.318 10 0 FCAEHM C[C@H]1NC(=O)N(CCN2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)C1=O ZINC001171606834 850689561 /nfs/dbraw/zinc/68/95/61/850689561.db2.gz DDMQRMYPTOEPFU-UTLUCORTSA-N -1 3 350.341 0.458 10 0 FCAEHM COC(=O)[C@@]1(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)C[C@H](O)C1 ZINC001175641055 850769303 /nfs/dbraw/zinc/76/93/03/850769303.db2.gz CPYLPXAYMWFSEO-QJGJFZNISA-N -1 3 350.758 0.978 10 0 FCAEHM C[C@H](CC(=O)N[C@H]1CC12CC(O)C2)[N-]S(=O)(=O)c1cccnc1Cl ZINC001178968826 850941763 /nfs/dbraw/zinc/94/17/63/850941763.db2.gz UJFBLUGJXUXBMA-UBIDECLZSA-N -1 3 373.862 0.822 10 0 FCAEHM COC(=O)CCCO[N-]C(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21 ZINC001179176964 850960632 /nfs/dbraw/zinc/96/06/32/850960632.db2.gz NVKGBEUGNNOCRC-UHIISALHSA-N -1 3 359.448 0.713 10 0 FCAEHM CC(C)CS(=O)(=O)CCC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001180027847 851010009 /nfs/dbraw/zinc/01/00/09/851010009.db2.gz NXLICXIFZPNAQI-LBPRGKRZSA-N -1 3 356.448 0.338 10 0 FCAEHM COC(=O)c1nccc(NCC[N-]S(=O)(=O)c2ccc(F)cc2F)n1 ZINC001186220602 851420486 /nfs/dbraw/zinc/42/04/86/851420486.db2.gz FZYALUHRXPWEHM-UHFFFAOYSA-N -1 3 372.353 0.354 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[S@]3=O)c(C)o1 ZINC001261833249 858680782 /nfs/dbraw/zinc/68/07/82/858680782.db2.gz QYPXOJKIQLINQL-AUWXTCHYSA-N -1 3 360.457 0.622 10 0 FCAEHM C[C@H](CC(C)(C)C)C(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1 ZINC001281901182 863916091 /nfs/dbraw/zinc/91/60/91/863916091.db2.gz VQGKMSYPGVKMQM-RTXFEEFZSA-N -1 3 350.419 0.556 10 0 FCAEHM COCCC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1c(C)nc[n-]c1=O ZINC001282188999 864111192 /nfs/dbraw/zinc/11/11/92/864111192.db2.gz ZMJKNCMVNOBMNG-YPMHNXCESA-N -1 3 350.419 0.884 10 0 FCAEHM CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCc3nc[n-]c(=O)c3C2)n1 ZINC001296619907 865979995 /nfs/dbraw/zinc/97/99/95/865979995.db2.gz GIYBPTFZJIJRGG-UHFFFAOYSA-N -1 3 368.802 0.833 10 0 FCAEHM Cn1ncc(Br)c1CC(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC001296620765 865980305 /nfs/dbraw/zinc/98/03/05/865980305.db2.gz QSQDGYKBJOMIGB-UHFFFAOYSA-N -1 3 352.192 0.806 10 0 FCAEHM COc1ccc(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)cc1OCCO ZINC001300198009 866214647 /nfs/dbraw/zinc/21/46/47/866214647.db2.gz OIOUAENALBEIDN-UHFFFAOYSA-N -1 3 351.384 0.781 10 0 FCAEHM CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)C1 ZINC001300197799 866215553 /nfs/dbraw/zinc/21/55/53/866215553.db2.gz GAIPIPDMCUYOEV-JTQLQIEISA-N -1 3 370.431 0.723 10 0 FCAEHM Cc1cc(C(=O)NCCCc2c[n-][nH]c2=O)cc(S(N)(=O)=O)c1C ZINC001301560299 866269225 /nfs/dbraw/zinc/26/92/25/866269225.db2.gz BLJPQISEZHHPKM-LLVKDONJSA-N -1 3 352.416 0.193 10 0 FCAEHM Clc1nnc(-c2nnc(N3CCC4(COC4)C3)n2C[C@H]2CCOC2)[n-]1 ZINC001349313271 866301745 /nfs/dbraw/zinc/30/17/45/866301745.db2.gz OILZJBKFZUNHFI-SNVBAGLBSA-N -1 3 365.825 0.980 10 0 FCAEHM Clc1nc(-c2nnc(N3CCC4(COC4)C3)n2C[C@H]2CCOC2)n[n-]1 ZINC001349313271 866301757 /nfs/dbraw/zinc/30/17/57/866301757.db2.gz OILZJBKFZUNHFI-SNVBAGLBSA-N -1 3 365.825 0.980 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-]Cc2ncc3c(n2)CCOC3)CCOCC1 ZINC001351374734 866842951 /nfs/dbraw/zinc/84/29/51/866842951.db2.gz PDLJQGHNEOQFGB-UHFFFAOYSA-N -1 3 371.459 0.554 10 0 FCAEHM COC(=O)[C@@]1(N2CCN([C@@H](C)c3nc(C)cc(=O)[n-]3)CC2)CCOC1 ZINC001351421301 866855242 /nfs/dbraw/zinc/85/52/42/866855242.db2.gz HHOJKVWBLGDREW-SUMWQHHRSA-N -1 3 350.419 0.501 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)c2cccc(C[S@@](C)=O)c2)[n-]1 ZINC001320662769 868235999 /nfs/dbraw/zinc/23/59/99/868235999.db2.gz TXIHHLHEAQCOJK-XMMPIXPASA-N -1 3 350.400 0.790 10 0 FCAEHM CC[S@@](=O)CCNC(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001322458344 868822274 /nfs/dbraw/zinc/82/22/74/868822274.db2.gz YLPMLZPCTBKSAI-JOCHJYFZSA-N -1 3 365.452 0.765 10 0 FCAEHM CCC(=O)Nc1ccc(S(=O)(=O)NC2CCN(CC(=O)[O-])CC2)cc1 ZINC001324183609 869499160 /nfs/dbraw/zinc/49/91/60/869499160.db2.gz AAJBDIXXDSUQCW-UHFFFAOYSA-N -1 3 369.443 0.862 10 0 FCAEHM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2ccn(-c3ccncc3)n2)CCC1 ZINC001328400637 871409977 /nfs/dbraw/zinc/40/99/77/871409977.db2.gz SSZPQSYMKUWEOG-UHFFFAOYSA-N -1 3 363.443 0.811 10 0 FCAEHM CN(CCN1CCOCC1)c1nnc(-c2nnc(Cl)[n-]2)n1CC1CC1 ZINC001346666925 871951634 /nfs/dbraw/zinc/95/16/34/871951634.db2.gz XVTVBQOYGXWXBM-UHFFFAOYSA-N -1 3 366.857 0.895 10 0 FCAEHM CN(CCN1CCOCC1)c1nnc(-c2n[n-]c(Cl)n2)n1CC1CC1 ZINC001346666925 871951650 /nfs/dbraw/zinc/95/16/50/871951650.db2.gz XVTVBQOYGXWXBM-UHFFFAOYSA-N -1 3 366.857 0.895 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-][C@@H]2CCNC(=O)CC2)c1Br ZINC001329419212 872014578 /nfs/dbraw/zinc/01/45/78/872014578.db2.gz GPWLUHHGEVOXOI-ZETCQYMHSA-N -1 3 351.226 0.130 10 0 FCAEHM CCOCc1nc([C@H](C)[N-]S(=O)(=O)CC2(OC)CCOCC2)no1 ZINC001329661164 872162513 /nfs/dbraw/zinc/16/25/13/872162513.db2.gz YZVWHABJCYRZDK-NSHDSACASA-N -1 3 363.436 0.782 10 0 FCAEHM Cn1nncc1C1(O)CN(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC001347221035 872230058 /nfs/dbraw/zinc/23/00/58/872230058.db2.gz GQAUIHGVAMAZCS-UHFFFAOYSA-N -1 3 353.176 0.627 10 0 FCAEHM C[C@H]1COC2(CCC2)CN1C(=O)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC001347616541 872420741 /nfs/dbraw/zinc/42/07/41/872420741.db2.gz SIUZPXASVHLTGO-QMMMGPOBSA-N -1 3 361.324 0.610 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCCC[C@@]12CCOC2 ZINC001348201495 872628077 /nfs/dbraw/zinc/62/80/77/872628077.db2.gz TWWHARKHQYIXNR-AWEZNQCLSA-N -1 3 372.219 0.883 10 0 FCAEHM COCC(=O)N[C@H](C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)C(C)C ZINC000291680646 214051089 /nfs/dbraw/zinc/05/10/89/214051089.db2.gz ZKBPCRBPTFRZJO-HNNXBMFYSA-N -1 3 364.402 0.308 10 0 FCAEHM CC[C@@H]1CCN1S(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000291979097 214068337 /nfs/dbraw/zinc/06/83/37/214068337.db2.gz RPYXFLQRLJNMEI-HWPZZCPQSA-N -1 3 367.427 0.923 10 0 FCAEHM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1OC)C(N)=O ZINC000292060355 214074338 /nfs/dbraw/zinc/07/43/38/214074338.db2.gz HKKJLLKEXOKGFW-MRVPVSSYSA-N -1 3 351.222 1.000 10 0 FCAEHM CC(C)(C)OC(=O)NCCCC(C)(C)NC(=O)CN1CC(=O)[N-]C1=O ZINC000293800827 214201525 /nfs/dbraw/zinc/20/15/25/214201525.db2.gz GHVNQRFMNXLPCZ-UHFFFAOYSA-N -1 3 356.423 0.738 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)Cn2cncn2)c(F)cc1C ZINC000293672911 214191886 /nfs/dbraw/zinc/19/18/86/214191886.db2.gz ZOGIZOKMVKHIQZ-SNVBAGLBSA-N -1 3 356.379 0.879 10 0 FCAEHM CCc1noc(C)c1CNC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000294119971 214224595 /nfs/dbraw/zinc/22/45/95/214224595.db2.gz VLDZDVOEPVWTLM-UHFFFAOYSA-N -1 3 371.191 0.887 10 0 FCAEHM CCOC(=O)[C@H]1CCCc2sc(NC(=O)C[C@@H]3NC(=O)[N-]C3=O)nc21 ZINC000294142484 214226763 /nfs/dbraw/zinc/22/67/63/214226763.db2.gz LQGZFUPQAHOWKO-YUMQZZPRSA-N -1 3 366.399 0.663 10 0 FCAEHM C[C@@H]1C[C@@H](S(=O)(=O)NCCCNC(=O)c2cccc([O-])c2)CCO1 ZINC000295508811 214301728 /nfs/dbraw/zinc/30/17/28/214301728.db2.gz HUOJDYDHEPAEQV-DOMZBBRYSA-N -1 3 356.444 0.999 10 0 FCAEHM COC(=O)CCS(=O)(=O)[N-]c1cccc(-c2nnnn2C2CC2)c1 ZINC000295962985 214326137 /nfs/dbraw/zinc/32/61/37/214326137.db2.gz NEXNJNBFGWVUJV-UHFFFAOYSA-N -1 3 351.388 0.980 10 0 FCAEHM C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000296249183 214339832 /nfs/dbraw/zinc/33/98/32/214339832.db2.gz WRTMYOFHSJVPIC-VHSXEESVSA-N -1 3 368.381 0.888 10 0 FCAEHM C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000296249186 214340610 /nfs/dbraw/zinc/34/06/10/214340610.db2.gz WRTMYOFHSJVPIC-ZJUUUORDSA-N -1 3 368.381 0.888 10 0 FCAEHM CC(C)(CNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)N1CCS(=O)CC1 ZINC000265877266 210241894 /nfs/dbraw/zinc/24/18/94/210241894.db2.gz BBWPXRGDQPLXAZ-UHFFFAOYSA-N -1 3 363.439 0.143 10 0 FCAEHM C[C@H]1CN(C(=O)CN2CC(=O)[N-]C2=O)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000265859826 210236431 /nfs/dbraw/zinc/23/64/31/210236431.db2.gz HHLSYZXVVNTQKE-QWRGUYRKSA-N -1 3 354.407 0.300 10 0 FCAEHM CN1C[C@H](NC(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)CCC1=O ZINC000265711995 210205038 /nfs/dbraw/zinc/20/50/38/210205038.db2.gz HLWDJKYKNMVSRN-LLVKDONJSA-N -1 3 356.382 0.407 10 0 FCAEHM CN1CC[C@@H](NC(=O)CN2CC(=O)[N-]C2=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246049620 529794862 /nfs/dbraw/zinc/79/48/62/529794862.db2.gz AVBJQKOKXLLQCI-IUODEOHRSA-N -1 3 368.796 0.892 10 0 FCAEHM CCOC(=O)C(=O)N1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000265688231 210198592 /nfs/dbraw/zinc/19/85/92/210198592.db2.gz VQWVHHBNOICBEN-UHFFFAOYSA-N -1 3 357.366 0.788 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)n[n-]1 ZINC000265455644 210139615 /nfs/dbraw/zinc/13/96/15/210139615.db2.gz OHJWJBNFOBTQQW-NSHDSACASA-N -1 3 357.370 0.820 10 0 FCAEHM COC(=O)Cc1n[n-]c(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)n1 ZINC000265455644 210139608 /nfs/dbraw/zinc/13/96/08/210139608.db2.gz OHJWJBNFOBTQQW-NSHDSACASA-N -1 3 357.370 0.820 10 0 FCAEHM COC(=O)Cc1nnc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)[n-]1 ZINC000265455644 210139612 /nfs/dbraw/zinc/13/96/12/210139612.db2.gz OHJWJBNFOBTQQW-NSHDSACASA-N -1 3 357.370 0.820 10 0 FCAEHM COC(=O)C[C@H](NC(=O)CN1CC(=O)[N-]C1=O)c1ccc(SC)cc1 ZINC000264948244 210022908 /nfs/dbraw/zinc/02/29/08/210022908.db2.gz SYLOLXUCIVYJQC-LBPRGKRZSA-N -1 3 365.411 0.681 10 0 FCAEHM COc1ccc(CN(C)C(=O)CN2CC(=O)[N-]C2=O)cc1OC(F)F ZINC000264868501 210004243 /nfs/dbraw/zinc/00/42/43/210004243.db2.gz QSLJVZIXBOOXJI-UHFFFAOYSA-N -1 3 357.313 0.807 10 0 FCAEHM CN1CCN(C)[C@@H](CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000333022661 215224132 /nfs/dbraw/zinc/22/41/32/215224132.db2.gz FNJBVTWKXMOLGE-GOEBONIOSA-N -1 3 360.458 0.359 10 0 FCAEHM CN1CCN(C)[C@H](CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000333022663 215224358 /nfs/dbraw/zinc/22/43/58/215224358.db2.gz FNJBVTWKXMOLGE-ZBFHGGJFSA-N -1 3 360.458 0.359 10 0 FCAEHM O=C(C1CCCC1)N1CCC[C@H]1C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000333252368 215255699 /nfs/dbraw/zinc/25/56/99/215255699.db2.gz DNNUBWFRRXTSPQ-UGSOOPFHSA-N -1 3 362.430 0.368 10 0 FCAEHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H](CO)C[C@@H](O)C(C)(C)C ZINC000284721485 213205635 /nfs/dbraw/zinc/20/56/35/213205635.db2.gz RKWUAJMHQHAMCW-GXSJLCMTSA-N -1 3 365.473 0.971 10 0 FCAEHM CN(C)[C@H](CNC(=O)CN1CCC(c2n[n-]c(=O)o2)CC1)c1ccccc1 ZINC000283971975 213045713 /nfs/dbraw/zinc/04/57/13/213045713.db2.gz ILPSPCDIVYVEQO-MRXNPFEDSA-N -1 3 373.457 0.961 10 0 FCAEHM CCOC(=O)c1cn[n-]c1S(=O)(=O)N1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000366836817 216038739 /nfs/dbraw/zinc/03/87/39/216038739.db2.gz DMSLIXXOKKRNIY-WCFLWFBJSA-N -1 3 373.431 0.543 10 0 FCAEHM CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000366836817 216038742 /nfs/dbraw/zinc/03/87/42/216038742.db2.gz DMSLIXXOKKRNIY-WCFLWFBJSA-N -1 3 373.431 0.543 10 0 FCAEHM CN1CCCN(C(=O)c2cccc(C(=O)N3CCCN(C)CC3)c2[O-])CC1 ZINC000366815381 216036656 /nfs/dbraw/zinc/03/66/56/216036656.db2.gz BNRSXSRKDZGKBS-UHFFFAOYSA-N -1 3 374.485 0.948 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCNC[C@@H]2C(F)F)ccc1F ZINC000367286393 216103448 /nfs/dbraw/zinc/10/34/48/216103448.db2.gz KIXHMKSLLAROHF-SNVBAGLBSA-N -1 3 351.350 0.413 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CCC[C@@H](OCCO)C1 ZINC000368085171 216201498 /nfs/dbraw/zinc/20/14/98/216201498.db2.gz JYKBTAHYLFFURH-ZBFHGGJFSA-N -1 3 362.426 0.997 10 0 FCAEHM CN1CC[C@H](NC(=O)CN2CC(=O)[N-]C2=O)[C@H]1c1ccc(F)c(F)c1 ZINC000245648786 209372159 /nfs/dbraw/zinc/37/21/59/209372159.db2.gz CTHWHYKLKYGVGE-SWLSCSKDSA-N -1 3 352.341 0.378 10 0 FCAEHM Cc1nn(-c2ccccc2)cc1C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000195001747 209331552 /nfs/dbraw/zinc/33/15/52/209331552.db2.gz WFMLJPAKJAZCNH-GOSISDBHSA-N -1 3 353.382 0.995 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)N1CC2(C1)CCOCC2 ZINC000368306806 216230179 /nfs/dbraw/zinc/23/01/79/216230179.db2.gz GTTCCPNVDOQJEM-UHFFFAOYSA-N -1 3 359.473 0.848 10 0 FCAEHM C[C@@H](C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O)N1CCc2ccccc2C1 ZINC000194996449 209331889 /nfs/dbraw/zinc/33/18/89/209331889.db2.gz WYTQKIMJQNYICH-DJJJIMSYSA-N -1 3 356.426 0.634 10 0 FCAEHM O=C(Cc1cnn(-c2ccccc2)c1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000195021996 209331628 /nfs/dbraw/zinc/33/16/28/209331628.db2.gz OFCBYYKUCKVJFO-GOSISDBHSA-N -1 3 353.382 0.615 10 0 FCAEHM O=C(c1cncn1-c1ccc(F)cc1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000195017998 209331498 /nfs/dbraw/zinc/33/14/98/209331498.db2.gz VYUXZHMMEKXZHH-KRWDZBQOSA-N -1 3 357.345 0.826 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)cn1 ZINC000368361216 216237884 /nfs/dbraw/zinc/23/78/84/216237884.db2.gz MLIAQSWJQRPPOV-HZSPNIEDSA-N -1 3 369.443 0.398 10 0 FCAEHM O=C(CN1CCC[C@@]2(C1)NC(=O)[N-]C2=O)NCC1(c2ccccc2)CC1 ZINC000192645805 209303196 /nfs/dbraw/zinc/30/31/96/209303196.db2.gz AJHZNJQFDPDSTB-IBGZPJMESA-N -1 3 356.426 0.508 10 0 FCAEHM CC1(C)CN(C2(CNC(=O)CN3CC(=O)[N-]C3=O)CCCCC2)CCO1 ZINC000369228359 216367453 /nfs/dbraw/zinc/36/74/53/216367453.db2.gz AVRHXRBGDFPFDT-UHFFFAOYSA-N -1 3 366.462 0.468 10 0 FCAEHM CCS(=O)(=O)C[C@H](C)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000369287897 216378618 /nfs/dbraw/zinc/37/86/18/216378618.db2.gz LSCSUIHWSXKIRM-GXTWGEPZSA-N -1 3 368.455 0.936 10 0 FCAEHM Cc1cc(N2CCC[C@H]([N-]S(=O)(=O)c3cn(C)c(C)n3)C2)n(C)n1 ZINC000277708741 212390650 /nfs/dbraw/zinc/39/06/50/212390650.db2.gz MJVVFLFFNIWVTM-ZDUSSCGKSA-N -1 3 352.464 0.718 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]CCCN2CCCC2=O)cc1F ZINC000277691857 212389588 /nfs/dbraw/zinc/38/95/88/212389588.db2.gz GTNHCHGFEQKKFK-UHFFFAOYSA-N -1 3 358.391 0.903 10 0 FCAEHM CC[C@]1(c2ccccc2)NC(=O)N([N-]S(=O)(=O)[C@H]2CCO[C@H]2C)C1=O ZINC000277679462 212387782 /nfs/dbraw/zinc/38/77/82/212387782.db2.gz JBOQRZPODJDXEX-DETPVDSQSA-N -1 3 367.427 0.856 10 0 FCAEHM C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)CN1CC(=O)[N-]C1=O ZINC000277552407 212373064 /nfs/dbraw/zinc/37/30/64/212373064.db2.gz MRMFXROBFSPAMR-GHMZBOCLSA-N -1 3 354.407 0.300 10 0 FCAEHM COC(=O)c1csc(S(=O)(=O)[N-]C(C)(C)[C@@H](O)C(=O)OC)c1 ZINC000277030469 212320376 /nfs/dbraw/zinc/32/03/76/212320376.db2.gz KVVCOXKLERVIMY-VIFPVBQESA-N -1 3 351.402 0.126 10 0 FCAEHM Cc1cc(C)c(N2CC[C@@H]([N-]S(=O)(=O)N3CCOCC3)C2=O)c(C)c1 ZINC000276701341 212278643 /nfs/dbraw/zinc/27/86/43/212278643.db2.gz NVCUYDGKZVJOSO-OAHLLOKOSA-N -1 3 367.471 0.884 10 0 FCAEHM COC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H](C)Cn2cncn2)s1 ZINC000276551451 212253793 /nfs/dbraw/zinc/25/37/93/212253793.db2.gz YAIVWCQKGBNTFY-JTQLQIEISA-N -1 3 373.460 0.605 10 0 FCAEHM CN1C(=O)CN([N-]C(=O)C(=O)Nc2cccc(OCC(F)(F)F)c2)C1=O ZINC000276182100 212180193 /nfs/dbraw/zinc/18/01/93/212180193.db2.gz TYWWBUHSNKLBFY-UHFFFAOYSA-N -1 3 374.275 0.491 10 0 FCAEHM COC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H](CO)C(C)C)s1 ZINC000276193916 212182824 /nfs/dbraw/zinc/18/28/24/212182824.db2.gz HPCWPPWPLBWABF-LLVKDONJSA-N -1 3 350.462 0.942 10 0 FCAEHM C[C@H]1OCC[C@@H]1S(=O)(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000276122758 212165979 /nfs/dbraw/zinc/16/59/79/212165979.db2.gz ZCUVFKFJVFLIJL-DOMZBBRYSA-N -1 3 354.428 0.657 10 0 FCAEHM C[C@H](C(=O)N1CCO[C@H](CN(C)CC(=O)[O-])C1)N(C)Cc1ccccc1 ZINC000275516555 212042819 /nfs/dbraw/zinc/04/28/19/212042819.db2.gz BZGHASOEKWSIGF-NVXWUHKLSA-N -1 3 363.458 0.751 10 0 FCAEHM COc1cc(OC)c(NC(=O)CN2CC(=O)[N-]C2=O)cc1Br ZINC000275326532 212007738 /nfs/dbraw/zinc/00/77/38/212007738.db2.gz MDEDKYUXUHEMCW-UHFFFAOYSA-N -1 3 372.175 0.957 10 0 FCAEHM O=C(CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])NCC(F)F ZINC000373644012 217040459 /nfs/dbraw/zinc/04/04/59/217040459.db2.gz KJWBMEBFCKPFDM-NSHDSACASA-N -1 3 355.341 0.494 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)s1 ZINC000374141190 217100524 /nfs/dbraw/zinc/10/05/24/217100524.db2.gz FCHDOASALVXIKT-IRUJWGPZSA-N -1 3 371.484 0.672 10 0 FCAEHM C[C@H]1[C@@H](NC(=O)c2cn(C)c(=O)[n-]c2=O)CC(=O)N1Cc1ccccc1 ZINC000374263036 217114653 /nfs/dbraw/zinc/11/46/53/217114653.db2.gz NLRDVVUYDNTTAH-FZMZJTMJSA-N -1 3 356.382 0.405 10 0 FCAEHM Cc1cc(CS(=O)(=O)[N-]C[C@]2(N3CCOCC3)CCSC2)no1 ZINC000374244192 217112879 /nfs/dbraw/zinc/11/28/79/217112879.db2.gz WCURPRZEPLWAQO-CQSZACIVSA-N -1 3 361.489 0.610 10 0 FCAEHM CCOC(=O)[C@]1(Cc2ccccc2)CCCN1C(=O)CN1CC(=O)[N-]C1=O ZINC000375441777 217265566 /nfs/dbraw/zinc/26/55/66/217265566.db2.gz VSIXMSUCOSJIGE-LJQANCHMSA-N -1 3 373.409 0.705 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)N[C@@H]1CC[C@H]1O ZINC000425054003 247287549 /nfs/dbraw/zinc/28/75/49/247287549.db2.gz YRWIMNVKHASFQQ-RNFRBKRXSA-N -1 3 369.262 0.428 10 0 FCAEHM CO[C@H](C)[C@H](C)NC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000441098626 248238615 /nfs/dbraw/zinc/23/86/15/248238615.db2.gz CJUXHLDHKVHOMI-VHSXEESVSA-N -1 3 365.402 0.966 10 0 FCAEHM C[C@H](CO)[C@H](C)NC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000442165364 248277305 /nfs/dbraw/zinc/27/73/05/248277305.db2.gz WQVAHZITUBNVNU-ZJUUUORDSA-N -1 3 365.402 0.559 10 0 FCAEHM C[C@@H](O)CCNC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000442610435 248293397 /nfs/dbraw/zinc/29/33/97/248293397.db2.gz OVGFUHLQORGROL-SECBINFHSA-N -1 3 351.375 0.313 10 0 FCAEHM COC(=O)[C@H](C[N-]S(=O)(=O)[C@@H]1CCO[C@H]1C)Oc1ccc(F)cc1 ZINC000442754266 248295383 /nfs/dbraw/zinc/29/53/83/248295383.db2.gz HXNOUCZQVMSGHU-LEWSCRJBSA-N -1 3 361.391 0.843 10 0 FCAEHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCC[C@@H](C(N)=O)C1 ZINC000443111966 248307592 /nfs/dbraw/zinc/30/75/92/248307592.db2.gz QGIFQUKYQJFDIB-ZJUUUORDSA-N -1 3 358.391 0.935 10 0 FCAEHM CCOC[C@H](C)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000444208825 248351324 /nfs/dbraw/zinc/35/13/24/248351324.db2.gz BCDIHZFXWFTCAS-NSHDSACASA-N -1 3 350.462 0.640 10 0 FCAEHM Cn1nnnc1CNC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000445207787 248375121 /nfs/dbraw/zinc/37/51/21/248375121.db2.gz CJRGFXWGSRKGBB-UHFFFAOYSA-N -1 3 363.175 0.744 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(C(=O)NCc3ccn(C)n3)CC2)n[n-]1 ZINC000445225561 248376572 /nfs/dbraw/zinc/37/65/72/248376572.db2.gz QYVQZIIEXYMBQR-UHFFFAOYSA-N -1 3 361.406 0.804 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(C(=O)NCc3ccn(C)n3)CC2)[n-]1 ZINC000445225561 248376574 /nfs/dbraw/zinc/37/65/74/248376574.db2.gz QYVQZIIEXYMBQR-UHFFFAOYSA-N -1 3 361.406 0.804 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC[C@@](O)(C(F)F)C1 ZINC000452696101 249327925 /nfs/dbraw/zinc/32/79/25/249327925.db2.gz SWVDZLHFTRFLSP-PELKAZGASA-N -1 3 354.400 0.643 10 0 FCAEHM O=C(C[C@@H]1COCCN1C(=O)C[C@@H]1NC(=O)[N-]C1=O)c1cccs1 ZINC000271438818 211401160 /nfs/dbraw/zinc/40/11/60/211401160.db2.gz PKNXVAWQZMJBQQ-ZJUUUORDSA-N -1 3 351.384 0.146 10 0 FCAEHM CC(C)C[C@@H](NC(=O)CN1CC(=O)[N-]C1=O)C(=O)Nc1nccs1 ZINC000271315682 211378495 /nfs/dbraw/zinc/37/84/95/211378495.db2.gz XUTUUKZGYHSDPM-SECBINFHSA-N -1 3 353.404 0.164 10 0 FCAEHM C[C@@H]1CN(Cc2ccccc2NC(=O)C[C@@H]2NC(=O)[N-]C2=O)C[C@@H](C)O1 ZINC000271376450 211391478 /nfs/dbraw/zinc/39/14/78/211391478.db2.gz MPFZSFWTZJQSJX-JMSVASOKSA-N -1 3 360.414 0.832 10 0 FCAEHM COc1nnc(NC(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)[n-]1 ZINC000271333043 211382898 /nfs/dbraw/zinc/38/28/98/211382898.db2.gz ZGLHGGKZWJVQAT-UHFFFAOYSA-N -1 3 364.387 0.346 10 0 FCAEHM COc1nc(NC(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)n[n-]1 ZINC000271333043 211382901 /nfs/dbraw/zinc/38/29/01/211382901.db2.gz ZGLHGGKZWJVQAT-UHFFFAOYSA-N -1 3 364.387 0.346 10 0 FCAEHM COc1n[n-]c(NC(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)n1 ZINC000271333043 211382903 /nfs/dbraw/zinc/38/29/03/211382903.db2.gz ZGLHGGKZWJVQAT-UHFFFAOYSA-N -1 3 364.387 0.346 10 0 FCAEHM CN1C(=O)C[C@H](NC(=O)C[C@@H]2NC(=O)[N-]C2=O)[C@@H]1c1ccc(Cl)cc1 ZINC000271087942 211331500 /nfs/dbraw/zinc/33/15/00/211331500.db2.gz DVEXHOJSCHMIFU-MJVIPROJSA-N -1 3 364.789 0.326 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000271086223 211331087 /nfs/dbraw/zinc/33/10/87/211331087.db2.gz GKAPZWYZCVTXQN-UHFFFAOYSA-N -1 3 353.404 0.366 10 0 FCAEHM C[C@H](CO)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000271046624 211323355 /nfs/dbraw/zinc/32/33/55/211323355.db2.gz IHZXVICYMNOBBW-BDAKNGLRSA-N -1 3 350.824 0.499 10 0 FCAEHM COc1ccc(Cl)cc1NC(=O)CCNC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000270881317 211289240 /nfs/dbraw/zinc/28/92/40/211289240.db2.gz LHXWXPKTXSSEKM-JTQLQIEISA-N -1 3 368.777 0.392 10 0 FCAEHM C[C@@H](CNC(=O)C[C@@H]1NC(=O)[N-]C1=O)Oc1cccc(Br)c1 ZINC000270815120 211273185 /nfs/dbraw/zinc/27/31/85/211273185.db2.gz PDPHODWZAYIAAR-KWQFWETISA-N -1 3 370.203 0.931 10 0 FCAEHM C[C@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000270725971 211256196 /nfs/dbraw/zinc/25/61/96/211256196.db2.gz SOJDIAJKWSTDGJ-FZMZJTMJSA-N -1 3 373.413 0.328 10 0 FCAEHM CCOC(=O)Cn1ccc2cc(NC(=O)C[C@@H]3NC(=O)[N-]C3=O)ccc21 ZINC000270698501 211250355 /nfs/dbraw/zinc/25/03/55/211250355.db2.gz LQWPGIVBFGAPBW-LBPRGKRZSA-N -1 3 358.354 0.741 10 0 FCAEHM COC(=O)Cc1n[n-]c(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)n1 ZINC000469899241 250011200 /nfs/dbraw/zinc/01/12/00/250011200.db2.gz RLPFTJNHXHHKBD-IINYFYTJSA-N -1 3 358.358 0.073 10 0 FCAEHM COC(=O)Cc1nnc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)[n-]1 ZINC000469899241 250011205 /nfs/dbraw/zinc/01/12/05/250011205.db2.gz RLPFTJNHXHHKBD-IINYFYTJSA-N -1 3 358.358 0.073 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)n[n-]1 ZINC000469899241 250011210 /nfs/dbraw/zinc/01/12/10/250011210.db2.gz RLPFTJNHXHHKBD-IINYFYTJSA-N -1 3 358.358 0.073 10 0 FCAEHM COc1ccccc1[C@H](CNC(=O)C[C@@H]1NC(=O)[N-]C1=O)N1CCCC1 ZINC000270181068 211164252 /nfs/dbraw/zinc/16/42/52/211164252.db2.gz CENWIUNDFGRIJV-KBPBESRZSA-N -1 3 360.414 0.546 10 0 FCAEHM CCn1nnnc1-c1cccc(NC(=O)C(=O)NCc2ncccc2[O-])c1 ZINC000473034040 250195260 /nfs/dbraw/zinc/19/52/60/250195260.db2.gz NLUFSAIPVPDXPK-UHFFFAOYSA-N -1 3 367.369 0.716 10 0 FCAEHM CNC(=O)COc1ccc(NC(=O)C(=O)NCc2ncccc2[O-])cc1 ZINC000473064236 250196511 /nfs/dbraw/zinc/19/65/11/250196511.db2.gz ZFLHJNNEFBDUFM-UHFFFAOYSA-N -1 3 358.354 0.167 10 0 FCAEHM O=C(NCc1ncccc1[O-])C(=O)Nc1cccc(Cn2cncn2)c1 ZINC000473064584 250196748 /nfs/dbraw/zinc/19/67/48/250196748.db2.gz IWIBJQZJCGCSIZ-UHFFFAOYSA-N -1 3 352.354 0.682 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC[C@]3(CCCOC3)C2)cn1C ZINC000473529934 250234752 /nfs/dbraw/zinc/23/47/52/250234752.db2.gz INQJHKARXIJDOX-INIZCTEOSA-N -1 3 370.475 0.426 10 0 FCAEHM Cc1nc(C(=O)NCc2[nH+]cccc2[O-])nn1-c1nnc(C(F)(F)F)[n-]1 ZINC000473638753 250244018 /nfs/dbraw/zinc/24/40/18/250244018.db2.gz ZQCRFNLIRLDCEI-UHFFFAOYSA-N -1 3 368.279 0.743 10 0 FCAEHM Cc1nc(C(=O)NCc2ncccc2[O-])nn1-c1nc(C(F)(F)F)n[nH]1 ZINC000473638753 250244022 /nfs/dbraw/zinc/24/40/22/250244022.db2.gz ZQCRFNLIRLDCEI-UHFFFAOYSA-N -1 3 368.279 0.743 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]Cc2cccc(NS(C)(=O)=O)c2)c1 ZINC000474049692 250265372 /nfs/dbraw/zinc/26/53/72/250265372.db2.gz BFOWLIIDXSYTER-UHFFFAOYSA-N -1 3 358.445 0.753 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]CCNC(=O)c2cccc(OC)c2)c1 ZINC000474062871 250267807 /nfs/dbraw/zinc/26/78/07/250267807.db2.gz FUBBDEBXRVSBKX-UHFFFAOYSA-N -1 3 352.416 0.620 10 0 FCAEHM CC(C)CC[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000480665355 250277444 /nfs/dbraw/zinc/27/74/44/250277444.db2.gz CAULCTRWTRFZMS-CQSZACIVSA-N -1 3 364.489 0.951 10 0 FCAEHM O=S(=O)(CCNS(=O)(=O)c1ccccc1)NCc1ncccc1[O-] ZINC000480723160 250280031 /nfs/dbraw/zinc/28/00/31/250280031.db2.gz RILAGSQTSXERFJ-UHFFFAOYSA-N -1 3 371.440 0.185 10 0 FCAEHM O=S(=O)(NCc1ncccc1[O-])c1ccc2c(c1)S(=O)(=O)CC2 ZINC000480753879 250282519 /nfs/dbraw/zinc/28/25/19/250282519.db2.gz JNSAXKZSWIXUQO-UHFFFAOYSA-N -1 3 354.409 0.596 10 0 FCAEHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]C(C)(C)[C@@H](O)C(=O)OC ZINC000480879478 250290294 /nfs/dbraw/zinc/29/02/94/250290294.db2.gz ONXGNFOHSCIYJD-NSHDSACASA-N -1 3 363.388 0.219 10 0 FCAEHM C[C@]1(c2ccc(C(=O)N[C@H]3CCC[C@H](C(N)=O)C3)cc2)NC(=O)[N-]C1=O ZINC000480841289 250286301 /nfs/dbraw/zinc/28/63/01/250286301.db2.gz GYVOMHUUZADDBO-RRUGBERISA-N -1 3 358.398 0.515 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)NC[C@@](C)(O)C2CCCCC2)cn1C ZINC000481333208 250332182 /nfs/dbraw/zinc/33/21/82/250332182.db2.gz ASNDLWLJLUALMM-MRXNPFEDSA-N -1 3 372.491 0.454 10 0 FCAEHM COc1cccc(CN(CCN(C)C)C(=O)c2cnc([O-])n(C)c2=O)c1 ZINC000482380113 250388497 /nfs/dbraw/zinc/38/84/97/250388497.db2.gz GWIZDILOOMPAPD-UHFFFAOYSA-N -1 3 360.414 0.699 10 0 FCAEHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CCCN1CCCC1=O ZINC000269657321 211034832 /nfs/dbraw/zinc/03/48/32/211034832.db2.gz KCKJTWJHUPZVFR-UHFFFAOYSA-N -1 3 358.391 0.903 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CCN(C(C)=O)C[C@@H]2C)s1 ZINC000268908794 210881232 /nfs/dbraw/zinc/88/12/32/210881232.db2.gz ZYIUIJUFPOGDKG-JTQLQIEISA-N -1 3 374.488 0.418 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000088637469 208121292 /nfs/dbraw/zinc/12/12/92/208121292.db2.gz YVKWMPWIGJMQEM-ZJUUUORDSA-N -1 3 368.381 0.936 10 0 FCAEHM NN=c1[n-]cc(Br)cc1S(=O)(=O)N(CCO)C1CC1 ZINC000042481148 208294799 /nfs/dbraw/zinc/29/47/99/208294799.db2.gz QUULULQKDBEOQN-UHFFFAOYSA-N -1 3 351.226 0.275 10 0 FCAEHM O=C(N[C@@H]1CCc2ncnn2C1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000112725469 208300782 /nfs/dbraw/zinc/30/07/82/208300782.db2.gz OOXYDBWQLBGHPK-TZMCWYRMSA-N -1 3 355.398 0.720 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CCS(=O)(=O)CC1 ZINC000116798916 208334758 /nfs/dbraw/zinc/33/47/58/208334758.db2.gz DBZHOCQMPZJSJD-ZDUSSCGKSA-N -1 3 352.412 0.254 10 0 FCAEHM CC(C)CO[C@H](C)c1noc(CN(C)C(=O)CN2CC(=O)[N-]C2=O)n1 ZINC000266721996 210389557 /nfs/dbraw/zinc/38/95/57/210389557.db2.gz VDDAEZCEXLBKCP-SNVBAGLBSA-N -1 3 353.379 0.313 10 0 FCAEHM COc1cccc(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c1[O-] ZINC000266447762 210336806 /nfs/dbraw/zinc/33/68/06/210336806.db2.gz NKQJGLQPCGPRAR-CYBMUJFWSA-N -1 3 363.414 0.064 10 0 FCAEHM NC(=O)c1nn[n-]c1NC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000410855097 230275225 /nfs/dbraw/zinc/27/52/25/230275225.db2.gz BBGJCDIWKPEOSL-LLVKDONJSA-N -1 3 374.376 0.463 10 0 FCAEHM NC(=O)c1[n-]nnc1NC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000410855097 230275230 /nfs/dbraw/zinc/27/52/30/230275230.db2.gz BBGJCDIWKPEOSL-LLVKDONJSA-N -1 3 374.376 0.463 10 0 FCAEHM NC(=O)c1n[n-]nc1NC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000410855097 230275234 /nfs/dbraw/zinc/27/52/34/230275234.db2.gz BBGJCDIWKPEOSL-LLVKDONJSA-N -1 3 374.376 0.463 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)Nc2cc([C@@H]3CCCO3)[nH]n2)cn1C ZINC000473844468 484460519 /nfs/dbraw/zinc/46/05/19/484460519.db2.gz BPPCPGYSYPLMQI-NSHDSACASA-N -1 3 368.419 0.220 10 0 FCAEHM Cc1cn2c(n1)CN(C(=O)CNC(=O)c1c[n-]c3ccccc3c1=O)CC2 ZINC000363674252 488872188 /nfs/dbraw/zinc/87/21/88/488872188.db2.gz MMWIBZYYNNZHRF-UHFFFAOYSA-N -1 3 365.393 0.805 10 0 FCAEHM COC(=O)[C@H](CF)[N-]S(=O)(=O)c1cnn(-c2ccccc2OC)c1 ZINC000287480420 488872988 /nfs/dbraw/zinc/87/29/88/488872988.db2.gz QIRCNZPJLQQELW-NSHDSACASA-N -1 3 357.363 0.670 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CF)C(=O)OC)cc1Cl ZINC000287530796 488878644 /nfs/dbraw/zinc/87/86/44/488878644.db2.gz UKJCOQPDXVEVSA-SNVBAGLBSA-N -1 3 353.755 0.916 10 0 FCAEHM CCC(=O)c1cccc(S(=O)(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000278703581 488891008 /nfs/dbraw/zinc/89/10/08/488891008.db2.gz KARQJEJYJLVRLB-INIZCTEOSA-N -1 3 365.411 0.642 10 0 FCAEHM O=S(=O)([N-]C[C@]1(N2CCOCC2)CCCOC1)c1ccccc1F ZINC000363840074 488891388 /nfs/dbraw/zinc/89/13/88/488891388.db2.gz AXNCFGNTDMGDHU-MRXNPFEDSA-N -1 3 358.435 0.985 10 0 FCAEHM Cc1nc(NC(=O)[C@H](C)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)sc1C ZINC000278744309 488892913 /nfs/dbraw/zinc/89/29/13/488892913.db2.gz AGTIEJZKTUPKPK-BJOHPYRUSA-N -1 3 351.432 0.761 10 0 FCAEHM COc1cc(NC(=O)CN2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc(OC)c1 ZINC000279004909 488910021 /nfs/dbraw/zinc/91/00/21/488910021.db2.gz DHMZDRZEFZSWEP-QGZVFWFLSA-N -1 3 362.386 0.316 10 0 FCAEHM O=C1[N-]C(=O)[C@]2(CCCN(Cc3c[nH]nc3-c3ccc4c(c3)OCO4)C2)N1 ZINC000278988942 488909011 /nfs/dbraw/zinc/90/90/11/488909011.db2.gz AIBXEVOXWHOQNH-GOSISDBHSA-N -1 3 369.381 0.979 10 0 FCAEHM CCCOc1ccc(CNC(=O)CN2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000279044487 488912723 /nfs/dbraw/zinc/91/27/23/488912723.db2.gz JTHNSWMKPJHGGP-IBGZPJMESA-N -1 3 374.441 0.766 10 0 FCAEHM COC(=O)c1cccc(NC(=O)CN2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000279123744 488918883 /nfs/dbraw/zinc/91/88/83/488918883.db2.gz VBBRBBFTDLRCQJ-QGZVFWFLSA-N -1 3 360.370 0.086 10 0 FCAEHM COc1cc(C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc2c1OCCO2 ZINC000279337896 488933359 /nfs/dbraw/zinc/93/33/59/488933359.db2.gz BMJDHPQEQGWXKN-QGZVFWFLSA-N -1 3 361.354 0.281 10 0 FCAEHM O=C(CNC(=O)c1cccc(Cl)c1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279413084 488939793 /nfs/dbraw/zinc/93/97/93/488939793.db2.gz HRJQSLNQUSODSD-MRXNPFEDSA-N -1 3 364.789 0.270 10 0 FCAEHM CC(C)N1C(=O)C[C@H]([N-]S(=O)(=O)c2cccnc2C(F)(F)F)C1=O ZINC000288077135 488940480 /nfs/dbraw/zinc/94/04/80/488940480.db2.gz JQPANCDXTVHNKZ-QMMMGPOBSA-N -1 3 365.333 0.915 10 0 FCAEHM Cc1ccc(CCC(=O)NCC(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000279368159 488936177 /nfs/dbraw/zinc/93/61/77/488936177.db2.gz DONPDLGNMIOLQU-LJQANCHMSA-N -1 3 372.425 0.244 10 0 FCAEHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000279375167 488936789 /nfs/dbraw/zinc/93/67/89/488936789.db2.gz FNWNELFEDVALPI-MRXNPFEDSA-N -1 3 365.411 0.602 10 0 FCAEHM CCOc1ccccc1C(=O)NCC(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279451923 488943197 /nfs/dbraw/zinc/94/31/97/488943197.db2.gz KPJKEAUQLLNRMK-GOSISDBHSA-N -1 3 374.397 0.016 10 0 FCAEHM COc1cc(CCC(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc(OC)c1 ZINC000279522685 488949547 /nfs/dbraw/zinc/94/95/47/488949547.db2.gz PNFBTNOKYARTCX-GOSISDBHSA-N -1 3 361.398 0.837 10 0 FCAEHM CCc1[nH]c(C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c(C)c1C(=O)OC ZINC000279524392 488949979 /nfs/dbraw/zinc/94/99/79/488949979.db2.gz PSUGOPIQFDDIBU-QGZVFWFLSA-N -1 3 362.386 0.486 10 0 FCAEHM O=C(c1cccnc1N1CCCCC1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279550953 488951482 /nfs/dbraw/zinc/95/14/82/488951482.db2.gz RJBNBCLWQSAJKU-GOSISDBHSA-N -1 3 357.414 0.886 10 0 FCAEHM Cc1ccc(C)n1-c1c(C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cnn1C ZINC000279566181 488952785 /nfs/dbraw/zinc/95/27/85/488952785.db2.gz SKLCDEUMUVBWOY-SFHVURJKSA-N -1 3 370.413 0.642 10 0 FCAEHM O=C(/C=C/c1cnc2ccccc2n1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279579660 488953892 /nfs/dbraw/zinc/95/38/92/488953892.db2.gz UGYLIYWQTTZXCF-DKFQHHCZSA-N -1 3 351.366 0.844 10 0 FCAEHM O=C(/C=C/c1cnc2ccccc2n1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279579661 488953896 /nfs/dbraw/zinc/95/38/96/488953896.db2.gz UGYLIYWQTTZXCF-IPLHWJFFSA-N -1 3 351.366 0.844 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)NC[C@H]1COc2ccccc2O1 ZINC000024650102 487647904 /nfs/dbraw/zinc/64/79/04/487647904.db2.gz ZBIRNINHUUBXNC-NSHDSACASA-N -1 3 368.436 0.983 10 0 FCAEHM COc1ccc(CN2CCN(C(=O)C[C@@H]3NC(=O)[N-]C3=O)CC2)cc1F ZINC000042815126 487879987 /nfs/dbraw/zinc/87/99/87/487879987.db2.gz GQAXLQKDBMCMMW-ZDUSSCGKSA-N -1 3 364.377 0.077 10 0 FCAEHM CN(C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000044909369 487925752 /nfs/dbraw/zinc/92/57/52/487925752.db2.gz GOZCXAYBHBVWGW-OCCSQVGLSA-N -1 3 366.439 0.642 10 0 FCAEHM Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)C[C@@H]3NC(=O)[N-]C3=O)C2)n1 ZINC000056082427 488251601 /nfs/dbraw/zinc/25/16/01/488251601.db2.gz RGJCWEFLKNJYBY-NEPJUHHUSA-N -1 3 359.386 0.165 10 0 FCAEHM Cc1occc1C(=O)NC1CCN(C(=O)CC[C@@H]2NC(=O)[N-]C2=O)CC1 ZINC000066734493 488336114 /nfs/dbraw/zinc/33/61/14/488336114.db2.gz NWDAPGDLUYTJHV-ZDUSSCGKSA-N -1 3 362.386 0.297 10 0 FCAEHM COc1cccc(CN(C[C@@H]2CCCO2)C(=O)C[C@@H]2NC(=O)[N-]C2=O)c1 ZINC000064867244 488315055 /nfs/dbraw/zinc/31/50/55/488315055.db2.gz LERMRSVPBAMTHH-GJZGRUSLSA-N -1 3 361.398 0.801 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)NCCCc2cccc(F)c2)cn1C ZINC000068497497 488366338 /nfs/dbraw/zinc/36/63/38/488366338.db2.gz QIVAPEFCMQCZIL-UHFFFAOYSA-N -1 3 368.434 0.895 10 0 FCAEHM COCCN1CCC[C@H]1CNC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000069526779 488372919 /nfs/dbraw/zinc/37/29/19/488372919.db2.gz UTCRDHMRUQMCEG-ZDUSSCGKSA-N -1 3 355.460 0.899 10 0 FCAEHM COC(=O)CCCCNC(=O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000070884864 488375725 /nfs/dbraw/zinc/37/57/25/488375725.db2.gz FGIYWRQFSRJSIY-UHFFFAOYSA-N -1 3 360.407 0.954 10 0 FCAEHM C[C@H](C(=O)N1CCc2c(nc(N)[n-]c2=O)C1)c1n[nH]c(=O)c2ccccc21 ZINC000071745772 488377238 /nfs/dbraw/zinc/37/72/38/488377238.db2.gz IPHWEIZPAIJGTC-VIFPVBQESA-N -1 3 366.381 0.277 10 0 FCAEHM Cc1cccc(CN2C[C@@H](C(=O)[O-])C[C@H](C(=O)N3CCN(C)CC3)C2)n1 ZINC000071764523 488377286 /nfs/dbraw/zinc/37/72/86/488377286.db2.gz LIDXIRRPACLEEQ-HOTGVXAUSA-N -1 3 360.458 0.687 10 0 FCAEHM CC(C)[C@@H](CNC(=O)c1nc2ccccc2c(=O)[n-]1)N1CCN(C)CC1 ZINC000074273752 488389710 /nfs/dbraw/zinc/38/97/10/488389710.db2.gz AICTYGRYOGZKHC-MRXNPFEDSA-N -1 3 357.458 0.925 10 0 FCAEHM Cc1cc(N2CCC[C@H](NC(=O)c3cccc4nn[n-]c43)C2=O)n(C)n1 ZINC000188223226 488411423 /nfs/dbraw/zinc/41/14/23/488411423.db2.gz GPYZOCOHDGZZKX-ZDUSSCGKSA-N -1 3 353.386 0.925 10 0 FCAEHM Cc1cc(N2CCC[C@H](NC(=O)c3cccc4[n-]nnc43)C2=O)n(C)n1 ZINC000188223226 488411425 /nfs/dbraw/zinc/41/14/25/488411425.db2.gz GPYZOCOHDGZZKX-ZDUSSCGKSA-N -1 3 353.386 0.925 10 0 FCAEHM Cc1cc(N2CCC[C@H](NC(=O)c3cccc4n[n-]nc43)C2=O)n(C)n1 ZINC000188223226 488411426 /nfs/dbraw/zinc/41/14/26/488411426.db2.gz GPYZOCOHDGZZKX-ZDUSSCGKSA-N -1 3 353.386 0.925 10 0 FCAEHM CCNC(=O)N1CC[C@H](NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C)c2)C1 ZINC000268445842 488419598 /nfs/dbraw/zinc/41/95/98/488419598.db2.gz HIBIACXLBDYUBB-NSHDSACASA-N -1 3 372.422 0.267 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]CCCN2CCC[C@H]2C(=O)N(C)C)c1 ZINC000080736729 488436686 /nfs/dbraw/zinc/43/66/86/488436686.db2.gz CBCUCKAZMPUVDE-ZDUSSCGKSA-N -1 3 357.480 0.124 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCc2cccnc2N(C)C)c(C)o1 ZINC000081666055 488443581 /nfs/dbraw/zinc/44/35/81/488443581.db2.gz PMKMTPBHQSZCSG-UHFFFAOYSA-N -1 3 352.416 0.887 10 0 FCAEHM O=C(CN1C(=O)CSc2ccccc21)Nc1nnc(SCCO)[n-]1 ZINC000268778552 488449392 /nfs/dbraw/zinc/44/93/92/488449392.db2.gz ZVPINGONICBSGZ-UHFFFAOYSA-N -1 3 365.440 0.967 10 0 FCAEHM O=C(CN1C(=O)CSc2ccccc21)Nc1nc(SCCO)n[n-]1 ZINC000268778552 488449394 /nfs/dbraw/zinc/44/93/94/488449394.db2.gz ZVPINGONICBSGZ-UHFFFAOYSA-N -1 3 365.440 0.967 10 0 FCAEHM O=C(CN1C(=O)CSc2ccccc21)Nc1n[n-]c(SCCO)n1 ZINC000268778552 488449396 /nfs/dbraw/zinc/44/93/96/488449396.db2.gz ZVPINGONICBSGZ-UHFFFAOYSA-N -1 3 365.440 0.967 10 0 FCAEHM C[C@H](C(=O)N1CCc2ccccc2C1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000248684712 488501425 /nfs/dbraw/zinc/50/14/25/488501425.db2.gz SHPZJHOAWWNVDW-YJYMSZOUSA-N -1 3 356.426 0.634 10 0 FCAEHM O=C(NCCCN1CCCC1=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000269461384 488505562 /nfs/dbraw/zinc/50/55/62/488505562.db2.gz HKVROECQMDCSIB-UHFFFAOYSA-N -1 3 374.488 0.338 10 0 FCAEHM O=C(Cc1c[nH]c(=O)[n-]c1=O)N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 ZINC000253535081 488520921 /nfs/dbraw/zinc/52/09/21/488520921.db2.gz GYZHGJMGXZSEEW-QEORTHHSSA-N -1 3 371.393 0.994 10 0 FCAEHM CN(C)c1ncc(NC(=O)N2CCC[C@H]2C[C@@]2(C)NC(=O)[N-]C2=O)cn1 ZINC000554487474 491205451 /nfs/dbraw/zinc/20/54/51/491205451.db2.gz SNGSHMJLVOKSQW-MEDUHNTESA-N -1 3 361.406 0.527 10 0 FCAEHM O=C(Nc1cccc(S(=O)(=O)[N-]c2nccs2)c1)[C@H]1C[C@@H](O)CN1 ZINC000262480662 488572382 /nfs/dbraw/zinc/57/23/82/488572382.db2.gz XWEOVDZYECUKMJ-ZYHUDNBSSA-N -1 3 368.440 0.605 10 0 FCAEHM COC[C@](C)(CCO)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000272414916 488579087 /nfs/dbraw/zinc/57/90/87/488579087.db2.gz DOOSSIHQFZVAQG-MFKMUULPSA-N -1 3 350.462 0.319 10 0 FCAEHM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)CN2CC(=O)[N-]C2=O)C1 ZINC000272430382 488580491 /nfs/dbraw/zinc/58/04/91/488580491.db2.gz HMXADAAKTIVOKK-WDEREUQCSA-N -1 3 354.407 0.300 10 0 FCAEHM O=C(Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1)[C@H]1COCCN1 ZINC000262615379 488581695 /nfs/dbraw/zinc/58/16/95/488581695.db2.gz KRPTYNIHWXVHKQ-LLVKDONJSA-N -1 3 367.349 0.454 10 0 FCAEHM Cc1cc(C[C@H](C)NC(=O)NCC[N-]S(=O)(=O)c2cccs2)[nH]n1 ZINC000122907565 488581748 /nfs/dbraw/zinc/58/17/48/488581748.db2.gz HHGVDGVLMWLULJ-JTQLQIEISA-N -1 3 371.488 0.988 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@H]1COc2ccccc21 ZINC000123457285 488585359 /nfs/dbraw/zinc/58/53/59/488585359.db2.gz SHIFZGXOYDLVRK-JTQLQIEISA-N -1 3 366.171 0.549 10 0 FCAEHM COc1nnc(NC(=O)CN2C(=O)c3ccccc3N3C(=O)CC[C@]32C)[n-]1 ZINC000272535532 488586771 /nfs/dbraw/zinc/58/67/71/488586771.db2.gz RHCLAUFPPPZCPL-KRWDZBQOSA-N -1 3 370.369 0.751 10 0 FCAEHM COc1nc(NC(=O)CN2C(=O)c3ccccc3N3C(=O)CC[C@]32C)n[n-]1 ZINC000272535532 488586772 /nfs/dbraw/zinc/58/67/72/488586772.db2.gz RHCLAUFPPPZCPL-KRWDZBQOSA-N -1 3 370.369 0.751 10 0 FCAEHM COc1n[n-]c(NC(=O)CN2C(=O)c3ccccc3N3C(=O)CC[C@]32C)n1 ZINC000272535532 488586774 /nfs/dbraw/zinc/58/67/74/488586774.db2.gz RHCLAUFPPPZCPL-KRWDZBQOSA-N -1 3 370.369 0.751 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCN(C2CC2)CC1 ZINC000124907415 488596848 /nfs/dbraw/zinc/59/68/48/488596848.db2.gz KYPJWWZVBPUQQL-LBPRGKRZSA-N -1 3 355.435 0.799 10 0 FCAEHM CC(C)Oc1cccnc1C(=O)N1CCO[C@@H](CN(C)CC(=O)[O-])C1 ZINC000262861803 488596915 /nfs/dbraw/zinc/59/69/15/488596915.db2.gz LIQKJMLEXPDFLH-ZDUSSCGKSA-N -1 3 351.403 0.726 10 0 FCAEHM COC(=O)[C@H]1CCCN(C(=O)CCn2[n-]c(=O)c3ccccc3c2=O)C1 ZINC000263866309 488632197 /nfs/dbraw/zinc/63/21/97/488632197.db2.gz LAKAPVHYJMZGGL-LBPRGKRZSA-N -1 3 359.382 0.492 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)Nc2ncn(C3CCCCC3)n2)c1 ZINC000273114340 488632798 /nfs/dbraw/zinc/63/27/98/488632798.db2.gz DVZQEPFLJCTMIW-UHFFFAOYSA-N -1 3 367.435 0.434 10 0 FCAEHM CCCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1c(C)n[nH]c1C ZINC000349518230 489306715 /nfs/dbraw/zinc/30/67/15/489306715.db2.gz GUULJVVEGWLMDY-UHFFFAOYSA-N -1 3 352.482 0.830 10 0 FCAEHM CC[C@H](CO)N1CCN(C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)CC1 ZINC000131734325 488648055 /nfs/dbraw/zinc/64/80/55/488648055.db2.gz FQPYHJLBQQSXSC-CYBMUJFWSA-N -1 3 350.463 0.905 10 0 FCAEHM C[C@H]1CN(S(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)CCS1 ZINC000264154433 488651182 /nfs/dbraw/zinc/65/11/82/488651182.db2.gz UIEDRBTVJPWCQT-QMMMGPOBSA-N -1 3 356.429 0.160 10 0 FCAEHM COc1ccccc1[C@@H](CNC(=O)CN1CC(=O)[N-]C1=O)N1CCCCC1 ZINC000264681010 488697692 /nfs/dbraw/zinc/69/76/92/488697692.db2.gz KUOWNAJEPPJNPR-OAHLLOKOSA-N -1 3 374.441 0.890 10 0 FCAEHM COc1ccc(CN2CCCN(C(=O)CN3CC(=O)[N-]C3=O)CC2)cc1 ZINC000264760242 488708298 /nfs/dbraw/zinc/70/82/98/488708298.db2.gz UEYKELWKVDOSEX-UHFFFAOYSA-N -1 3 360.414 0.281 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)cn1 ZINC000274680601 488726793 /nfs/dbraw/zinc/72/67/93/488726793.db2.gz JPSZKPWTMNTNPF-OLZOCXBDSA-N -1 3 355.460 0.859 10 0 FCAEHM CCN1CCN(c2ccccc2NC(=O)c2[nH]c(=O)[n-]c(=O)c2N)CC1 ZINC000266869025 488739396 /nfs/dbraw/zinc/73/93/96/488739396.db2.gz WTAIEHFLGNIIKO-UHFFFAOYSA-N -1 3 358.402 0.864 10 0 FCAEHM C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)CN1CC(=O)[N-]C1=O ZINC000275128486 488764380 /nfs/dbraw/zinc/76/43/80/488764380.db2.gz LKNQFSFMDARHES-GHMZBOCLSA-N -1 3 354.407 0.300 10 0 FCAEHM C[C@@](NC(=O)CN1CC(=O)[N-]C1=O)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000267341146 488779235 /nfs/dbraw/zinc/77/92/35/488779235.db2.gz ZRIHCWBBNRLOGG-AWEZNQCLSA-N -1 3 372.303 0.074 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H]1CCCC[C@H]1C(N)=O ZINC000267380093 488782341 /nfs/dbraw/zinc/78/23/41/488782341.db2.gz ZSJYDOGYLZQJEC-DMDPSCGWSA-N -1 3 371.434 0.653 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCCNC(=O)c2ccccc2)c(C)o1 ZINC000267558180 488797592 /nfs/dbraw/zinc/79/75/92/488797592.db2.gz FQRVIERSKARJCQ-UHFFFAOYSA-N -1 3 365.411 0.656 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000171663036 488825396 /nfs/dbraw/zinc/82/53/96/488825396.db2.gz LHSVKSKWCLIGQR-NEPJUHHUSA-N -1 3 369.472 0.870 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000267939710 488830263 /nfs/dbraw/zinc/83/02/63/488830263.db2.gz HKWJHTGNDCYPLX-WDEREUQCSA-N -1 3 369.418 0.372 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@@H]1CCN(C2CC2)C1 ZINC000173022677 488840012 /nfs/dbraw/zinc/84/00/12/488840012.db2.gz VMGSEYBUXCSNJQ-LBPRGKRZSA-N -1 3 358.485 0.853 10 0 FCAEHM Cc1ccc(-n2[n-]c(C(=O)N3CCN(CCN(C)C)CC3)cc2=O)cc1 ZINC000173703171 488844903 /nfs/dbraw/zinc/84/49/03/488844903.db2.gz ULZZCJNVDWPIMU-UHFFFAOYSA-N -1 3 357.458 0.793 10 0 FCAEHM CCc1nc2n(n1)C[C@H](NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C)CC2 ZINC000176085353 488857336 /nfs/dbraw/zinc/85/73/36/488857336.db2.gz RCKJCVXJEGIYBS-SNVBAGLBSA-N -1 3 367.431 0.395 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NCCc1cccc(OCC(F)(F)F)c1 ZINC000279948855 488976737 /nfs/dbraw/zinc/97/67/37/488976737.db2.gz CWPGYCFGJUWZPW-UHFFFAOYSA-N -1 3 359.304 0.838 10 0 FCAEHM O=C(CN1CCC[C@H](c2nc(=O)[n-][nH]2)C1)NCc1ccc2c(c1)OCO2 ZINC000288574482 488993397 /nfs/dbraw/zinc/99/33/97/488993397.db2.gz AYTOJSFMIUTMAL-LBPRGKRZSA-N -1 3 359.386 0.323 10 0 FCAEHM CC(C)(C)OC(=O)NC(C)(C)CC(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000364785800 489002092 /nfs/dbraw/zinc/00/20/92/489002092.db2.gz KDKLTJUOMXYYAH-QGZVFWFLSA-N -1 3 368.434 0.880 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CC[C@@](C)(C(N)=O)C1 ZINC000280412979 489005499 /nfs/dbraw/zinc/00/54/99/489005499.db2.gz PWCVDYATWYCEBM-MRXNPFEDSA-N -1 3 367.427 0.896 10 0 FCAEHM CC1(C)CN(C(=O)C[N-]S(=O)(=O)c2cccs2)C[C@]2(CCOC2)O1 ZINC000280485376 489012495 /nfs/dbraw/zinc/01/24/95/489012495.db2.gz KDJDUYOAJKSSBE-HNNXBMFYSA-N -1 3 374.484 0.823 10 0 FCAEHM COCc1ccc(CNC(=O)CN2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)cc1 ZINC000288797693 489016632 /nfs/dbraw/zinc/01/66/32/489016632.db2.gz CUPGXTRDDPEFEN-OAHLLOKOSA-N -1 3 359.430 0.740 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCCc1cccc(OCC(F)(F)F)c1 ZINC000280545750 489017493 /nfs/dbraw/zinc/01/74/93/489017493.db2.gz NKSVAUACTORXIR-NSHDSACASA-N -1 3 359.304 0.885 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(-c2nc(CC(=O)N3CCCC3)no2)cn1 ZINC000289026816 489036677 /nfs/dbraw/zinc/03/66/77/489036677.db2.gz FURSHJPAGXEIHP-UHFFFAOYSA-N -1 3 351.388 0.205 10 0 FCAEHM Cc1c(Br)cccc1CS(=O)(=O)[N-][C@@H](CO)C(N)=O ZINC000655590131 492460444 /nfs/dbraw/zinc/46/04/44/492460444.db2.gz SNDBGPDTMLNDMX-JTQLQIEISA-N -1 3 351.222 0.023 10 0 FCAEHM COc1ccccc1CNC(=O)[C@@H](C)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000289393179 489064339 /nfs/dbraw/zinc/06/43/39/489064339.db2.gz KGPVHGFJNJMEGH-TZMCWYRMSA-N -1 3 359.430 0.991 10 0 FCAEHM COc1ccccc1CNC(=O)[C@@H](C)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000289393178 489064513 /nfs/dbraw/zinc/06/45/13/489064513.db2.gz KGPVHGFJNJMEGH-OCCSQVGLSA-N -1 3 359.430 0.991 10 0 FCAEHM CO[C@@H](C)[C@@H](C)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000289468595 489069579 /nfs/dbraw/zinc/06/95/79/489069579.db2.gz HEKQRIZAMZOWHM-BDAKNGLRSA-N -1 3 354.425 0.899 10 0 FCAEHM O=C(C1CCCC1)N1CSC[C@@H]1C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000330129372 489071546 /nfs/dbraw/zinc/07/15/46/489071546.db2.gz JYCAXKCTUNIWDG-VXGBXAGGSA-N -1 3 366.443 0.681 10 0 FCAEHM Cc1cccc(OCCNC(=O)CN2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000289543634 489075770 /nfs/dbraw/zinc/07/57/70/489075770.db2.gz WVWOLWWCNLXBLX-CQSZACIVSA-N -1 3 359.430 0.781 10 0 FCAEHM COc1cccc(C(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)c1[O-] ZINC000365805864 489115139 /nfs/dbraw/zinc/11/51/39/489115139.db2.gz SWPLJHVPZLSJAP-UHFFFAOYSA-N -1 3 357.432 0.355 10 0 FCAEHM COC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000330674435 489131191 /nfs/dbraw/zinc/13/11/91/489131191.db2.gz QMGREMQOELGJKH-NFAWXSAZSA-N -1 3 356.444 0.714 10 0 FCAEHM CCN(CC)C(=O)[C@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000330677584 489131975 /nfs/dbraw/zinc/13/19/75/489131975.db2.gz LFBKRLZKKRBJPO-GFCCVEGCSA-N -1 3 373.500 0.886 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000290344761 489132589 /nfs/dbraw/zinc/13/25/89/489132589.db2.gz KSQRVJCOXXRHOL-STQMWFEESA-N -1 3 373.475 0.825 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000290344743 489132732 /nfs/dbraw/zinc/13/27/32/489132732.db2.gz KSQRVJCOXXRHOL-OLZOCXBDSA-N -1 3 373.475 0.825 10 0 FCAEHM COC(=O)[C@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000282296941 489152427 /nfs/dbraw/zinc/15/24/27/489152427.db2.gz LNHYXTLSEKGRJL-QMMMGPOBSA-N -1 3 372.624 0.915 10 0 FCAEHM O=C1[N-]C(=O)[C@@]2(CCCN(S(=O)(=O)c3cccc4cccnc43)C2)N1 ZINC000366160236 489152810 /nfs/dbraw/zinc/15/28/10/489152810.db2.gz RCLMWDUSUWVBCW-INIZCTEOSA-N -1 3 360.395 0.598 10 0 FCAEHM Cc1cnc(C(=O)N(CCCN(C)C)[C@H]2CCS(=O)(=O)C2)c([O-])c1 ZINC000330893989 489154774 /nfs/dbraw/zinc/15/47/74/489154774.db2.gz ZCVGJBIJJOAFSV-ZDUSSCGKSA-N -1 3 355.460 0.677 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCSCC1 ZINC000282341079 489155972 /nfs/dbraw/zinc/15/59/72/489155972.db2.gz XLWJRVXNMYCBIA-UHFFFAOYSA-N -1 3 350.487 0.722 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-]C[C@](C)(O)C(=O)OC(C)(C)C)C[C@@H](C)O1 ZINC000330919687 489157530 /nfs/dbraw/zinc/15/75/30/489157530.db2.gz OMPKAPCVYVOUQT-GYSYKLTISA-N -1 3 352.453 0.023 10 0 FCAEHM CC(C)Oc1ccc([C@@H](CNC(=O)CN2CC(=O)[N-]C2=O)N(C)C)cc1 ZINC000290723688 489160547 /nfs/dbraw/zinc/16/05/47/489160547.db2.gz XVHOEQYBMHXSJQ-OAHLLOKOSA-N -1 3 362.430 0.745 10 0 FCAEHM CCn1cnc(S(=O)(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000331229718 489188518 /nfs/dbraw/zinc/18/85/18/489188518.db2.gz GNJLTQAQZBMORL-UHFFFAOYSA-N -1 3 364.427 0.755 10 0 FCAEHM C[C@H](C[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)N1CCCCC1=O ZINC000331259751 489190602 /nfs/dbraw/zinc/19/06/02/489190602.db2.gz JFONHDLEIPKCHV-GFCCVEGCSA-N -1 3 374.484 0.769 10 0 FCAEHM O=C(CCNC(=O)OCC(F)(F)F)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282817468 489192261 /nfs/dbraw/zinc/19/22/61/489192261.db2.gz CACDNQRVHJSEDL-MRVPVSSYSA-N -1 3 365.312 0.483 10 0 FCAEHM CCOC(=O)N1CCC[C@H](C(=O)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)C1 ZINC000282871823 489196495 /nfs/dbraw/zinc/19/64/95/489196495.db2.gz IPDZVNPMDPVZHO-NEPJUHHUSA-N -1 3 351.407 0.673 10 0 FCAEHM CN1CCOC[C@@H]1C[N-]S(=O)(=O)c1cccnc1OCC(F)F ZINC000625516729 492806579 /nfs/dbraw/zinc/80/65/79/492806579.db2.gz YICBVBOWHNWNJE-JTQLQIEISA-N -1 3 351.375 0.334 10 0 FCAEHM Cn1c2ccccc2n(CCC(=O)Nc2[n-]nnc2C(=O)NC2CC2)c1=O ZINC000297702719 489226505 /nfs/dbraw/zinc/22/65/05/489226505.db2.gz JZJFWJLVORQUPE-UHFFFAOYSA-N -1 3 369.385 0.379 10 0 FCAEHM Cn1c2ccccc2n(CCC(=O)Nc2nn[n-]c2C(=O)NC2CC2)c1=O ZINC000297702719 489226508 /nfs/dbraw/zinc/22/65/08/489226508.db2.gz JZJFWJLVORQUPE-UHFFFAOYSA-N -1 3 369.385 0.379 10 0 FCAEHM Cn1c2ccccc2n(CCC(=O)Nc2n[n-]nc2C(=O)NC2CC2)c1=O ZINC000297702719 489226511 /nfs/dbraw/zinc/22/65/11/489226511.db2.gz JZJFWJLVORQUPE-UHFFFAOYSA-N -1 3 369.385 0.379 10 0 FCAEHM CNC(=O)[C@H]1CCCN1C(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC000283223627 489229370 /nfs/dbraw/zinc/22/93/70/489229370.db2.gz YKOOVKMZSIXBIA-GFCCVEGCSA-N -1 3 360.345 0.225 10 0 FCAEHM CNC(=O)[C@H]1CCCN1C(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000283223627 489229372 /nfs/dbraw/zinc/22/93/72/489229372.db2.gz YKOOVKMZSIXBIA-GFCCVEGCSA-N -1 3 360.345 0.225 10 0 FCAEHM Cc1c(CC(=O)Nc2[n-]nnc2C(=O)NC2CC2)nnn1-c1ccccc1 ZINC000297833311 489248337 /nfs/dbraw/zinc/24/83/37/489248337.db2.gz VWGNSURZSLTTPZ-UHFFFAOYSA-N -1 3 366.385 0.767 10 0 FCAEHM Cc1c(CC(=O)Nc2nn[n-]c2C(=O)NC2CC2)nnn1-c1ccccc1 ZINC000297833311 489248339 /nfs/dbraw/zinc/24/83/39/489248339.db2.gz VWGNSURZSLTTPZ-UHFFFAOYSA-N -1 3 366.385 0.767 10 0 FCAEHM Cc1c(CC(=O)Nc2n[n-]nc2C(=O)NC2CC2)nnn1-c1ccccc1 ZINC000297833311 489248342 /nfs/dbraw/zinc/24/83/42/489248342.db2.gz VWGNSURZSLTTPZ-UHFFFAOYSA-N -1 3 366.385 0.767 10 0 FCAEHM Cc1c(C(=O)Nc2[n-]nnc2C(=O)NC2CC2)nnn1-c1ccccc1 ZINC000297841924 489249591 /nfs/dbraw/zinc/24/95/91/489249591.db2.gz WRBIXARWLJGHFI-UHFFFAOYSA-N -1 3 352.358 0.838 10 0 FCAEHM Cc1c(C(=O)Nc2nn[n-]c2C(=O)NC2CC2)nnn1-c1ccccc1 ZINC000297841924 489249595 /nfs/dbraw/zinc/24/95/95/489249595.db2.gz WRBIXARWLJGHFI-UHFFFAOYSA-N -1 3 352.358 0.838 10 0 FCAEHM Cc1c(C(=O)Nc2n[n-]nc2C(=O)NC2CC2)nnn1-c1ccccc1 ZINC000297841924 489249600 /nfs/dbraw/zinc/24/96/00/489249600.db2.gz WRBIXARWLJGHFI-UHFFFAOYSA-N -1 3 352.358 0.838 10 0 FCAEHM O=C(CCn1cnc2sccc2c1=O)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000297875127 489255974 /nfs/dbraw/zinc/25/59/74/489255974.db2.gz ZZAUHSRCFPUPBF-UHFFFAOYSA-N -1 3 373.398 0.497 10 0 FCAEHM O=C(CCn1cnc2sccc2c1=O)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000297875127 489255976 /nfs/dbraw/zinc/25/59/76/489255976.db2.gz ZZAUHSRCFPUPBF-UHFFFAOYSA-N -1 3 373.398 0.497 10 0 FCAEHM O=C(CCn1cnc2sccc2c1=O)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000297875127 489255978 /nfs/dbraw/zinc/25/59/78/489255978.db2.gz ZZAUHSRCFPUPBF-UHFFFAOYSA-N -1 3 373.398 0.497 10 0 FCAEHM COc1ccc(C2=NO[C@@H](CNC(=O)C[C@@H]3NC(=O)[N-]C3=O)C2)cc1F ZINC000283549312 489273286 /nfs/dbraw/zinc/27/32/86/489273286.db2.gz NEZMSWVSHPLCFU-SKDRFNHKSA-N -1 3 364.333 0.042 10 0 FCAEHM O=C1N[C@H](CF)C(=O)N1CC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000348958388 489280310 /nfs/dbraw/zinc/28/03/10/489280310.db2.gz RHFGKPUHHNJYEA-SECBINFHSA-N -1 3 367.761 0.647 10 0 FCAEHM O=c1[n-]c(=O)n(C[C@@H]2CCNC(=O)CC2)cc1I ZINC000563439932 491246280 /nfs/dbraw/zinc/24/62/80/491246280.db2.gz PEKDICCNKQJHTB-ZETCQYMHSA-N -1 3 363.155 0.470 10 0 FCAEHM Cc1n[nH]c(C)c1[N-]S(=O)(=O)CCCS(=O)(=O)N1CCC[C@@H]1C ZINC000349500379 489301054 /nfs/dbraw/zinc/30/10/54/489301054.db2.gz GRCZOGTTYSGGHM-JTQLQIEISA-N -1 3 364.493 0.972 10 0 FCAEHM C[C@@]1(O)C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2cccnc2)C1 ZINC000349538302 489310832 /nfs/dbraw/zinc/31/08/32/489310832.db2.gz GCRZKRYQUGYNIV-BETUJISGSA-N -1 3 363.461 0.046 10 0 FCAEHM O=C(CC[C@@H]1NC(=O)[N-]C1=O)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000370189695 489326303 /nfs/dbraw/zinc/32/63/03/489326303.db2.gz AWTIGKHQXRKTLU-KGLIPLIRSA-N -1 3 353.419 0.551 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)NN1CCCC1 ZINC000298449465 489327642 /nfs/dbraw/zinc/32/76/42/489327642.db2.gz PVOINORODRTDIG-UHFFFAOYSA-N -1 3 368.278 0.916 10 0 FCAEHM CN(C[C@@H](O)c1cccc(Br)c1)C(=O)CN1CC(=O)[N-]C1=O ZINC000298514751 489333738 /nfs/dbraw/zinc/33/37/38/489333738.db2.gz WEHDKDQBDKJUCR-LLVKDONJSA-N -1 3 370.203 0.493 10 0 FCAEHM CCCCNC(=O)OC[C@H]1CCCCN1C(=O)CN1CC(=O)[N-]C1=O ZINC000286026363 489348177 /nfs/dbraw/zinc/34/81/77/489348177.db2.gz QAGAFYGYIOGXIQ-GFCCVEGCSA-N -1 3 354.407 0.446 10 0 FCAEHM C[C@H](Cn1cncn1)[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000298827028 489371013 /nfs/dbraw/zinc/37/10/13/489371013.db2.gz SSTZTXHXBCSQPU-SECBINFHSA-N -1 3 353.379 0.669 10 0 FCAEHM COc1c2cnn(C)c2ncc1C(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1 ZINC000570638370 491254789 /nfs/dbraw/zinc/25/47/89/491254789.db2.gz WOHSBJQUUKSRJQ-NSHDSACASA-N -1 3 356.390 0.495 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CCN2CCSCC2)coc1C(=O)N(C)C ZINC000645533233 492921490 /nfs/dbraw/zinc/92/14/90/492921490.db2.gz UTKDRPNYCKXONI-UHFFFAOYSA-N -1 3 361.489 0.617 10 0 FCAEHM NC(=O)[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)O1 ZINC000286477930 489395001 /nfs/dbraw/zinc/39/50/01/489395001.db2.gz AACZPPWHKWTGOZ-HTQZYQBOSA-N -1 3 353.322 0.412 10 0 FCAEHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCN(CC(F)(F)F)C(=O)C1 ZINC000286543301 489402449 /nfs/dbraw/zinc/40/24/49/489402449.db2.gz TVCGGJNRONUPDY-UHFFFAOYSA-N -1 3 355.272 0.417 10 0 FCAEHM Cn1cc([C@H](O)CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cn1 ZINC000363281704 489447908 /nfs/dbraw/zinc/44/79/08/489447908.db2.gz CEHKBBKUGSYRMI-GDBMZVCRSA-N -1 3 358.398 0.580 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)N[C@@](C)(CCO)COC)ccc1F ZINC000287317460 489477290 /nfs/dbraw/zinc/47/72/90/489477290.db2.gz UXPCOKWLHBEOIY-AWEZNQCLSA-N -1 3 363.411 0.643 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](CF)C(=O)OC)ccc1Cl ZINC000287338657 489478859 /nfs/dbraw/zinc/47/88/59/489478859.db2.gz GSYDBUWGUUAYGT-SNVBAGLBSA-N -1 3 353.755 0.916 10 0 FCAEHM Cc1nn2cc(Br)cnc2c1S(=O)(=O)[N-]C/C=C/CO ZINC000632549836 493026952 /nfs/dbraw/zinc/02/69/52/493026952.db2.gz IFAZTHBRXQJZKY-NSCUHMNNSA-N -1 3 361.221 0.627 10 0 FCAEHM CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000451295176 489497046 /nfs/dbraw/zinc/49/70/46/489497046.db2.gz DJPVTPPVHJHJPD-SGTLLEGYSA-N -1 3 366.462 0.764 10 0 FCAEHM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cnccc1OCC ZINC000451470546 489506198 /nfs/dbraw/zinc/50/61/98/489506198.db2.gz GPLRSBVZWHCASZ-MNOVXSKESA-N -1 3 373.431 0.215 10 0 FCAEHM COC(=O)c1sccc1S(=O)(=O)[N-]C[C@H]1CCCCN1CCO ZINC000451657784 489514609 /nfs/dbraw/zinc/51/46/09/489514609.db2.gz BSBIWBHGZZGNDR-LLVKDONJSA-N -1 3 362.473 0.660 10 0 FCAEHM COC[C@@](C)(O)CC[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000451657299 489514725 /nfs/dbraw/zinc/51/47/25/489514725.db2.gz KHDUGHPZBQKLNV-NSHDSACASA-N -1 3 353.238 0.910 10 0 FCAEHM CC1(C)COC[C@@H]1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000451982692 489535333 /nfs/dbraw/zinc/53/53/33/489535333.db2.gz TZUFCTXRYPWIEA-LBPRGKRZSA-N -1 3 351.421 0.933 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)NC[C@@H]2C[C@H]2C2CC2)ccc1F ZINC000454072928 489561527 /nfs/dbraw/zinc/56/15/27/489561527.db2.gz XXUCPKGEYWCPQO-JQWIXIFHSA-N -1 3 369.418 0.835 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](C)N(CCO)C[C@@H]2C)c(C)o1 ZINC000416314633 489582698 /nfs/dbraw/zinc/58/26/98/489582698.db2.gz SZODDXPOJWEEDJ-MNOVXSKESA-N -1 3 359.448 0.023 10 0 FCAEHM O=C(CCN1CCCS1(=O)=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000427086801 489593940 /nfs/dbraw/zinc/59/39/40/489593940.db2.gz DFMHXLGKBCOLSZ-UHFFFAOYSA-N -1 3 350.404 0.155 10 0 FCAEHM O=C(CCN1CCCS1(=O)=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000427086801 489593944 /nfs/dbraw/zinc/59/39/44/489593944.db2.gz DFMHXLGKBCOLSZ-UHFFFAOYSA-N -1 3 350.404 0.155 10 0 FCAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CCc1cn(C)cn1 ZINC000416536777 489607720 /nfs/dbraw/zinc/60/77/20/489607720.db2.gz QUSSQBVQHNEDKK-SNVBAGLBSA-N -1 3 357.354 0.766 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C(=O)OC)cn1 ZINC000456143515 489608455 /nfs/dbraw/zinc/60/84/55/489608455.db2.gz ZZHLVECTRPEZPL-NWDGAFQWSA-N -1 3 355.416 0.451 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-][C@H](CO)c2ccnn2C)CCCCC1 ZINC000416549129 489608580 /nfs/dbraw/zinc/60/85/80/489608580.db2.gz OFRSCYLZEGLICN-GFCCVEGCSA-N -1 3 359.448 0.496 10 0 FCAEHM O=S(=O)([N-]C[C@H](O)Cn1ccnn1)c1cccc(Cl)c1Cl ZINC000416553692 489608995 /nfs/dbraw/zinc/60/89/95/489608995.db2.gz CTANTFJFYHDQRY-QMMMGPOBSA-N -1 3 351.215 0.924 10 0 FCAEHM COc1ccccc1C(=O)NCC(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1 ZINC000570807287 491266342 /nfs/dbraw/zinc/26/63/42/491266342.db2.gz QFZKLYLBKMIBKB-GFCCVEGCSA-N -1 3 358.402 0.330 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2C[C@@](C)(O)C2)c(C(=O)OC)s1 ZINC000416671227 489626200 /nfs/dbraw/zinc/62/62/00/489626200.db2.gz VTMNYQYHFVITQQ-PPRHIFSWSA-N -1 3 363.413 0.513 10 0 FCAEHM C[C@H]1CN(CCO)CCN1C(=O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000457117244 489636766 /nfs/dbraw/zinc/63/67/66/489636766.db2.gz JJTNZPIUJMWWQD-ZDUSSCGKSA-N -1 3 373.450 0.019 10 0 FCAEHM C/C=C/C[C@@H]([N-]S(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)OCC ZINC000428090967 489637936 /nfs/dbraw/zinc/63/79/36/489637936.db2.gz YGMYFINVPOXQAW-OGOUPESXSA-N -1 3 353.462 0.381 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000428128261 489639178 /nfs/dbraw/zinc/63/91/78/489639178.db2.gz AUFFPHOTUGVZMT-NTZNESFSSA-N -1 3 371.434 0.605 10 0 FCAEHM CCNC(=O)COc1ccc(CN[C@@]2(C(=O)[O-])CCOC2)cc1OC ZINC000417567912 489658811 /nfs/dbraw/zinc/65/88/11/489658811.db2.gz OAOPPPIWKKXGOU-KRWDZBQOSA-N -1 3 352.387 0.543 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)NC2CCC(C(F)F)CC2)cn1C ZINC000458155711 489671989 /nfs/dbraw/zinc/67/19/89/489671989.db2.gz DJCLVYKUCXRANF-UHFFFAOYSA-N -1 3 364.418 0.947 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)N(C)c2ncc(C(=O)OC)s2)c[n-]1 ZINC000469243251 489698057 /nfs/dbraw/zinc/69/80/57/489698057.db2.gz CCVOATRFHTWHMB-UHFFFAOYSA-N -1 3 359.385 0.870 10 0 FCAEHM COc1ccc2c(c1)[n-]cc(C(=O)NCC1CN(S(C)(=O)=O)C1)c2=O ZINC000429726915 489699074 /nfs/dbraw/zinc/69/90/74/489699074.db2.gz VXKCHPPGVRZUSN-UHFFFAOYSA-N -1 3 365.411 0.158 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N(CCOC)Cc2ccnn2C)c(C)o1 ZINC000470565585 489726761 /nfs/dbraw/zinc/72/67/61/489726761.db2.gz UCSCBDVFJLERTF-UHFFFAOYSA-N -1 3 370.431 0.518 10 0 FCAEHM O=C(NCc1ncccc1[O-])C(=O)Nc1ccn(CCc2ccncc2)n1 ZINC000473061981 489736906 /nfs/dbraw/zinc/73/69/06/489736906.db2.gz VVDMSYKMROMMRI-UHFFFAOYSA-N -1 3 366.381 0.876 10 0 FCAEHM COc1nc(NC(=O)CN(C)C(=O)c2ccc(Br)o2)n[n-]1 ZINC000490616017 489776940 /nfs/dbraw/zinc/77/69/40/489776940.db2.gz QPWQCPBLQIIYNO-UHFFFAOYSA-N -1 3 358.152 0.880 10 0 FCAEHM COc1nnc(NC(=O)CN(C)C(=O)c2ccc(Br)o2)[n-]1 ZINC000490616017 489776942 /nfs/dbraw/zinc/77/69/42/489776942.db2.gz QPWQCPBLQIIYNO-UHFFFAOYSA-N -1 3 358.152 0.880 10 0 FCAEHM COc1n[n-]c(NC(=O)CN(C)C(=O)c2ccc(Br)o2)n1 ZINC000490616017 489776944 /nfs/dbraw/zinc/77/69/44/489776944.db2.gz QPWQCPBLQIIYNO-UHFFFAOYSA-N -1 3 358.152 0.880 10 0 FCAEHM COc1nc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)n[n-]1 ZINC000490641311 489778015 /nfs/dbraw/zinc/77/80/15/489778015.db2.gz WRSUWCBINLHUGZ-SECBINFHSA-N -1 3 361.358 0.822 10 0 FCAEHM COc1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)[n-]1 ZINC000490641311 489778018 /nfs/dbraw/zinc/77/80/18/489778018.db2.gz WRSUWCBINLHUGZ-SECBINFHSA-N -1 3 361.358 0.822 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)n1 ZINC000490641311 489778020 /nfs/dbraw/zinc/77/80/20/489778020.db2.gz WRSUWCBINLHUGZ-SECBINFHSA-N -1 3 361.358 0.822 10 0 FCAEHM COc1nnc(NC(=O)c2nnn(-c3ccc4c(c3)OCCO4)c2C)[n-]1 ZINC000490663323 489779118 /nfs/dbraw/zinc/77/91/18/489779118.db2.gz XEUIBSVJMVESIP-UHFFFAOYSA-N -1 3 357.330 0.726 10 0 FCAEHM COc1nc(NC(=O)c2nnn(-c3ccc4c(c3)OCCO4)c2C)n[n-]1 ZINC000490663323 489779121 /nfs/dbraw/zinc/77/91/21/489779121.db2.gz XEUIBSVJMVESIP-UHFFFAOYSA-N -1 3 357.330 0.726 10 0 FCAEHM COc1n[n-]c(NC(=O)c2nnn(-c3ccc4c(c3)OCCO4)c2C)n1 ZINC000490663323 489779124 /nfs/dbraw/zinc/77/91/24/489779124.db2.gz XEUIBSVJMVESIP-UHFFFAOYSA-N -1 3 357.330 0.726 10 0 FCAEHM COc1nc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)n[n-]1 ZINC000376822760 489801596 /nfs/dbraw/zinc/80/15/96/489801596.db2.gz LLCDCYKGURVFTK-LBPRGKRZSA-N -1 3 365.415 0.914 10 0 FCAEHM COc1nnc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)[n-]1 ZINC000376822760 489801602 /nfs/dbraw/zinc/80/16/02/489801602.db2.gz LLCDCYKGURVFTK-LBPRGKRZSA-N -1 3 365.415 0.914 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)n1 ZINC000376822760 489801606 /nfs/dbraw/zinc/80/16/06/489801606.db2.gz LLCDCYKGURVFTK-LBPRGKRZSA-N -1 3 365.415 0.914 10 0 FCAEHM COC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000376839734 489804326 /nfs/dbraw/zinc/80/43/26/489804326.db2.gz SZHFHCLQFOBHJE-NSHDSACASA-N -1 3 364.406 1.288 10 0 FCAEHM COC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000376839734 489804330 /nfs/dbraw/zinc/80/43/30/489804330.db2.gz SZHFHCLQFOBHJE-NSHDSACASA-N -1 3 364.406 1.288 10 0 FCAEHM Cc1nc([C@@](C)([N-]S(=O)(=O)CCCS(C)(=O)=O)C2CC2)no1 ZINC000432295570 489836613 /nfs/dbraw/zinc/83/66/13/489836613.db2.gz WQDLUIGJPABSCO-LBPRGKRZSA-N -1 3 351.450 0.357 10 0 FCAEHM Cc1nc([C@](C)([N-]S(=O)(=O)CCCN2CCOCC2)C2CC2)no1 ZINC000432260759 489835440 /nfs/dbraw/zinc/83/54/40/489835440.db2.gz WBWDVHAUEHLHAW-OAHLLOKOSA-N -1 3 358.464 0.645 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCC[C@H](C)[S@](C)=O ZINC000493938837 489863812 /nfs/dbraw/zinc/86/38/12/489863812.db2.gz GHSLEOMTOYABGN-VUPYVKPUSA-N -1 3 352.503 0.688 10 0 FCAEHM COC(=O)c1ccccc1CS(=O)(=O)[N-]Cc1cc(C(N)=O)co1 ZINC000494270834 489878551 /nfs/dbraw/zinc/87/85/51/489878551.db2.gz KUCMZIATNDCRAU-UHFFFAOYSA-N -1 3 352.368 0.785 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NC[C@@]1(CCO)CCOC1 ZINC000476310579 489879954 /nfs/dbraw/zinc/87/99/54/489879954.db2.gz OHBUGACQQXTANU-BXUZGUMPSA-N -1 3 362.473 0.320 10 0 FCAEHM CC(C)OCCS(=O)(=O)[N-]CC(=O)Nc1n[nH]c2cc(F)ccc21 ZINC000476792475 489916291 /nfs/dbraw/zinc/91/62/91/489916291.db2.gz KAGCFVOXHPTQTG-UHFFFAOYSA-N -1 3 358.395 0.985 10 0 FCAEHM C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000461621187 489922967 /nfs/dbraw/zinc/92/29/67/489922967.db2.gz ZQKTYEJXLAUNJE-SECBINFHSA-N -1 3 358.354 0.933 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)c3cnc4sccn4c3=O)cc2n(C)c1=O ZINC000461635604 489925052 /nfs/dbraw/zinc/92/50/52/489925052.db2.gz ZISNAKHTLAHPKF-UHFFFAOYSA-N -1 3 371.378 0.904 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000377857765 489969028 /nfs/dbraw/zinc/96/90/28/489969028.db2.gz UOUJNNZHIGJUQG-FXAINCCUSA-N -1 3 370.427 0.971 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-][C@H]1CCCN(c2ccn(C)n2)C1=O)C1CC1 ZINC000571203126 491292428 /nfs/dbraw/zinc/29/24/28/491292428.db2.gz QENBEYRLPLIZDO-STQMWFEESA-N -1 3 356.448 0.260 10 0 FCAEHM COC(=O)CN(CC(=O)OC)C(=O)Cc1ccc(Br)cc1[O-] ZINC000477620914 489978153 /nfs/dbraw/zinc/97/81/53/489978153.db2.gz IZLRYPFBNLYQTQ-UHFFFAOYSA-N -1 3 374.187 0.872 10 0 FCAEHM CCOC(=O)c1c(C2CC2)csc1[N-]C(=O)C(=O)N1CC(=O)N(C)C1 ZINC000462930245 489995918 /nfs/dbraw/zinc/99/59/18/489995918.db2.gz QCEDEPZJKBMXRB-UHFFFAOYSA-N -1 3 365.411 0.999 10 0 FCAEHM CO[C@H](CC(C)C)CS(=O)(=O)[N-][C@H]1CCN(C2CCOCC2)C1=O ZINC000420663893 490004983 /nfs/dbraw/zinc/00/49/83/490004983.db2.gz DRZNEDMOABZTCK-CABCVRRESA-N -1 3 362.492 0.747 10 0 FCAEHM O=C(CC[C@H]1NC(=O)[N-]C1=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000378096714 490008903 /nfs/dbraw/zinc/00/89/03/490008903.db2.gz XGRDLYHKTMATNX-MWLCHTKSSA-N -1 3 351.794 0.418 10 0 FCAEHM NC(=O)[C@H]1CCC[C@H](NC(=O)NCC[N-]S(=O)(=O)c2cccs2)C1 ZINC000437448829 490023337 /nfs/dbraw/zinc/02/33/37/490023337.db2.gz HFPYVWDRCMULGX-QWRGUYRKSA-N -1 3 374.488 0.370 10 0 FCAEHM O=C(COc1ccc(O)cc1)NCC[N-]S(=O)(=O)c1cccs1 ZINC000437471781 490024230 /nfs/dbraw/zinc/02/42/30/490024230.db2.gz XDKBINWZSNNCFH-UHFFFAOYSA-N -1 3 356.425 0.927 10 0 FCAEHM C[C@@H](O)[C@@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)c1ccccc1F ZINC000564220929 491295076 /nfs/dbraw/zinc/29/50/76/491295076.db2.gz CIAVNKWFWMMMAJ-MEBBXXQBSA-N -1 3 370.406 0.076 10 0 FCAEHM CNC(=O)c1cc(S(=O)(=O)NCc2nnc(C(F)(F)F)[n-]2)cn1C ZINC000478892925 490050052 /nfs/dbraw/zinc/05/00/52/490050052.db2.gz OEGHVYMWHDOEPL-UHFFFAOYSA-N -1 3 366.325 0.000 10 0 FCAEHM CNC(=O)c1cc(S(=O)(=O)NCc2n[n-]c(C(F)(F)F)n2)cn1C ZINC000478892925 490050057 /nfs/dbraw/zinc/05/00/57/490050057.db2.gz OEGHVYMWHDOEPL-UHFFFAOYSA-N -1 3 366.325 0.000 10 0 FCAEHM CNC(=O)c1cc(S(=O)(=O)NCc2nc(C(F)(F)F)n[n-]2)cn1C ZINC000478892925 490050060 /nfs/dbraw/zinc/05/00/60/490050060.db2.gz OEGHVYMWHDOEPL-UHFFFAOYSA-N -1 3 366.325 0.000 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CC[C@H](C(=O)NC)C1 ZINC000421281815 490066930 /nfs/dbraw/zinc/06/69/30/490066930.db2.gz VHBOYPPPCRIYTA-JTQLQIEISA-N -1 3 367.427 0.766 10 0 FCAEHM COC[C@](C)([N-]S(=O)(=O)c1cccc(-n2cnnn2)c1)C(F)(F)F ZINC000479133990 490068562 /nfs/dbraw/zinc/06/85/62/490068562.db2.gz MTIYASJWSLFYQC-NSHDSACASA-N -1 3 365.337 0.908 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]C[C@@H](Cc2ccc(O)cc2)C(=O)OC)c1 ZINC000443302805 490068605 /nfs/dbraw/zinc/06/86/05/490068605.db2.gz PZVGNPLQMOXBPE-CYBMUJFWSA-N -1 3 367.427 0.919 10 0 FCAEHM COc1ccccc1-c1noc([C@H](C)NC(=O)CN2CC(=O)[N-]C2=O)n1 ZINC000464915594 490072941 /nfs/dbraw/zinc/07/29/41/490072941.db2.gz XFYWGHSAHRWBSJ-VIFPVBQESA-N -1 3 359.342 0.474 10 0 FCAEHM CC(C)OC(=O)[C@@H](C)C[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000479222194 490075660 /nfs/dbraw/zinc/07/56/60/490075660.db2.gz MLOSQKDRUDOOTF-NSHDSACASA-N -1 3 363.457 0.956 10 0 FCAEHM C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000479256319 490078953 /nfs/dbraw/zinc/07/89/53/490078953.db2.gz XGQQQTTWNAETIO-GDAOTKPNSA-N -1 3 358.398 0.467 10 0 FCAEHM CC1(C)CN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C[C@H](CO)O1 ZINC000421931812 490115497 /nfs/dbraw/zinc/11/54/97/490115497.db2.gz JBQSVPBOOLZHSH-UKRRQHHQSA-N -1 3 362.426 0.995 10 0 FCAEHM COc1cccc(F)c1[C@@H](C)NC(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000545411831 490132207 /nfs/dbraw/zinc/13/22/07/490132207.db2.gz WXTKRVDHRWOUKE-KOLCDFICSA-N -1 3 350.350 0.841 10 0 FCAEHM CC(C)N1C(=O)C[C@H]([N-]S(=O)(=O)CC2Cc3ccccc3C2)C1=O ZINC000520593522 490168131 /nfs/dbraw/zinc/16/81/31/490168131.db2.gz YPTIALAVSVLEDD-HNNXBMFYSA-N -1 3 350.440 0.857 10 0 FCAEHM C[C@H](CCNC(=O)NCC[N-]S(=O)(=O)c1cccs1)[S@@](C)=O ZINC000446891136 490168542 /nfs/dbraw/zinc/16/85/42/490168542.db2.gz UPKNJCNHTSMLAL-LADRHHBVSA-N -1 3 367.518 0.483 10 0 FCAEHM COCCc1cc(NC(=O)CC[N-]S(=O)(=O)c2cccs2)n(C)n1 ZINC000533184686 490191136 /nfs/dbraw/zinc/19/11/36/490191136.db2.gz BZBNDOWAWVUINR-UHFFFAOYSA-N -1 3 372.472 0.978 10 0 FCAEHM CCOc1ccc(CNC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)cc1F ZINC000546142808 490196818 /nfs/dbraw/zinc/19/68/18/490196818.db2.gz MPZVIGFZQGOREA-GFCCVEGCSA-N -1 3 350.350 0.670 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000533222558 490197132 /nfs/dbraw/zinc/19/71/32/490197132.db2.gz MFWKLBZDNRMDSA-GARJFASQSA-N -1 3 359.473 0.575 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]Cc1ccc(S(C)(=O)=O)s1)C1CC1 ZINC000564445521 491306859 /nfs/dbraw/zinc/30/68/59/491306859.db2.gz AVDGYRLGPQJMNS-LLVKDONJSA-N -1 3 353.487 0.996 10 0 FCAEHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(CO)c(F)c2)cn1 ZINC000480644685 490223074 /nfs/dbraw/zinc/22/30/74/490223074.db2.gz OPTKRVBRGXSINL-UHFFFAOYSA-N -1 3 374.415 0.595 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CCO[C@@H](C3CCC3)C2)cn1C ZINC000521208842 490235552 /nfs/dbraw/zinc/23/55/52/490235552.db2.gz SOFUJCYXQMTCJC-CQSZACIVSA-N -1 3 370.475 0.424 10 0 FCAEHM COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccc(Br)cc1[O-] ZINC000497958654 490239165 /nfs/dbraw/zinc/23/91/65/490239165.db2.gz QNMKYSZCNNWHOM-MNOVXSKESA-N -1 3 358.188 0.832 10 0 FCAEHM C[C@@H]1CCCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)[C@H]1CO ZINC000408141595 490255892 /nfs/dbraw/zinc/25/58/92/490255892.db2.gz UURDQHGHOKTAIJ-SCZZXKLOSA-N -1 3 360.208 0.331 10 0 FCAEHM Cc1cccc(NC(=O)NCC(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000447751753 490266929 /nfs/dbraw/zinc/26/69/29/490266929.db2.gz CEFFYCLBJWNEES-QGZVFWFLSA-N -1 3 359.386 0.317 10 0 FCAEHM CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000447756412 490268674 /nfs/dbraw/zinc/26/86/74/490268674.db2.gz WGGWNIQZUHYRLK-FZKQIMNGSA-N -1 3 373.413 0.037 10 0 FCAEHM COCCOCCS(=O)(=O)[N-]c1cccc(-n2cnc(N(C)C)n2)c1 ZINC000507909854 490276326 /nfs/dbraw/zinc/27/63/26/490276326.db2.gz TVDIUHOVKIMRIT-UHFFFAOYSA-N -1 3 369.447 0.738 10 0 FCAEHM O=S(=O)([N-]Cc1cnc(N2CCOCC2)c(F)c1)c1ccccn1 ZINC000564650024 491318479 /nfs/dbraw/zinc/31/84/79/491318479.db2.gz GAIWKZQFQYKONR-UHFFFAOYSA-N -1 3 352.391 0.931 10 0 FCAEHM CNC(=O)c1nn[n-]c1NC(=O)[C@@H]1CC(=O)N(c2ccc(SC)cc2)C1 ZINC000411093748 490386105 /nfs/dbraw/zinc/38/61/05/490386105.db2.gz CXFHGTKIOZNOSD-SECBINFHSA-N -1 3 374.426 0.878 10 0 FCAEHM CNC(=O)c1[n-]nnc1NC(=O)[C@@H]1CC(=O)N(c2ccc(SC)cc2)C1 ZINC000411093748 490386111 /nfs/dbraw/zinc/38/61/11/490386111.db2.gz CXFHGTKIOZNOSD-SECBINFHSA-N -1 3 374.426 0.878 10 0 FCAEHM CNC(=O)c1n[n-]nc1NC(=O)[C@@H]1CC(=O)N(c2ccc(SC)cc2)C1 ZINC000411093748 490386124 /nfs/dbraw/zinc/38/61/24/490386124.db2.gz CXFHGTKIOZNOSD-SECBINFHSA-N -1 3 374.426 0.878 10 0 FCAEHM Cc1ccc2c(c1)C(=O)N(CC(=O)Nc1[n-]nnc1C(=O)NC1CC1)C2=O ZINC000411105806 490387765 /nfs/dbraw/zinc/38/77/65/490387765.db2.gz YNZVGDUJNYILMI-UHFFFAOYSA-N -1 3 368.353 0.240 10 0 FCAEHM Cc1ccc2c(c1)C(=O)N(CC(=O)Nc1nn[n-]c1C(=O)NC1CC1)C2=O ZINC000411105806 490387774 /nfs/dbraw/zinc/38/77/74/490387774.db2.gz YNZVGDUJNYILMI-UHFFFAOYSA-N -1 3 368.353 0.240 10 0 FCAEHM Cc1ccc2c(c1)C(=O)N(CC(=O)Nc1n[n-]nc1C(=O)NC1CC1)C2=O ZINC000411105806 490387780 /nfs/dbraw/zinc/38/77/80/490387780.db2.gz YNZVGDUJNYILMI-UHFFFAOYSA-N -1 3 368.353 0.240 10 0 FCAEHM COc1c(C)cc(C)cc1S(=O)(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000509203918 490402888 /nfs/dbraw/zinc/40/28/88/490402888.db2.gz TWZWNUXIVCFKCA-LLVKDONJSA-N -1 3 353.400 0.237 10 0 FCAEHM COC(=O)c1nscc1S(=O)(=O)[N-]C[C@@H](C)N1CCCCC1=O ZINC000509230850 490405456 /nfs/dbraw/zinc/40/54/56/490405456.db2.gz BTMAOIWQTFSAOC-SECBINFHSA-N -1 3 361.445 0.609 10 0 FCAEHM Cc1ccc([C@@H](CN2CCOCC2)NC(=O)C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000535004311 490435507 /nfs/dbraw/zinc/43/55/07/490435507.db2.gz XSXPCTCXALMFEK-LSDHHAIUSA-N -1 3 360.414 0.083 10 0 FCAEHM NC(=O)c1cncc(NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)n1 ZINC000509529650 490436498 /nfs/dbraw/zinc/43/64/98/490436498.db2.gz ZBBXNFGHHPOOFP-UHFFFAOYSA-N -1 3 373.797 0.758 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C(=O)OC)c2ccn(C)n2)s1 ZINC000468808290 490450694 /nfs/dbraw/zinc/45/06/94/490450694.db2.gz DEHVWNYADVSXTC-NSHDSACASA-N -1 3 373.412 0.461 10 0 FCAEHM Nc1nccc([C@H]2CCCN(C(=O)CNC(=O)c3cccc([O-])c3)C2)n1 ZINC000509878765 490473281 /nfs/dbraw/zinc/47/32/81/490473281.db2.gz OIHJEOGICVGHRP-ZDUSSCGKSA-N -1 3 355.398 0.900 10 0 FCAEHM CNC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]Cc2ccn(C)n2)c1OC ZINC000510035436 490486347 /nfs/dbraw/zinc/48/63/47/490486347.db2.gz QIIUBYOSRGPVHS-UHFFFAOYSA-N -1 3 372.834 0.920 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C[C@@H](O)COc2ccc3c(c2)OCO3)nc1=N ZINC000450907903 490498196 /nfs/dbraw/zinc/49/81/96/490498196.db2.gz GSHWBSYLFNANAN-YPMHNXCESA-N -1 3 361.402 0.533 10 0 FCAEHM CN(C)C(=O)C1(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000413929322 490523042 /nfs/dbraw/zinc/52/30/42/490523042.db2.gz NRCWLNCEFHUEPS-UHFFFAOYSA-N -1 3 365.864 0.417 10 0 FCAEHM CN1C[C@H](NC(=O)Nc2ccc(C[C@H]3NC(=O)[N-]C3=O)cc2)CCC1=O ZINC000535814314 490533409 /nfs/dbraw/zinc/53/34/09/490533409.db2.gz IAWMLWUBFHEIGN-CHWSQXEVSA-N -1 3 359.386 0.179 10 0 FCAEHM Cc1nc([C@H](C)[N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)n[nH]1 ZINC000511002134 490555029 /nfs/dbraw/zinc/55/50/29/490555029.db2.gz LRPUGDYIEOBKTH-QMMMGPOBSA-N -1 3 356.429 0.482 10 0 FCAEHM C[C@](O)(CO)CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000549090352 490563869 /nfs/dbraw/zinc/56/38/69/490563869.db2.gz WNBJWUJTPQKZEL-CQSZACIVSA-N -1 3 355.188 0.764 10 0 FCAEHM CC(C)(CNC(=O)CNC(=O)c1ccc([O-])cc1)N1CCS(=O)CC1 ZINC000524874164 490566197 /nfs/dbraw/zinc/56/61/97/490566197.db2.gz GJFITBBHZWWZSL-UHFFFAOYSA-N -1 3 367.471 0.081 10 0 FCAEHM CCc1cccc(NC(=O)C[N-]S(=O)(=O)CCCS(C)(=O)=O)c1 ZINC000524872883 490566235 /nfs/dbraw/zinc/56/62/35/490566235.db2.gz QVFXXQWRXHFURM-UHFFFAOYSA-N -1 3 362.473 0.542 10 0 FCAEHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](C)Cn2cncn2)c1 ZINC000485962002 490576352 /nfs/dbraw/zinc/57/63/52/490576352.db2.gz KUNSQHRKKYKOPP-SNVBAGLBSA-N -1 3 356.379 0.961 10 0 FCAEHM CCn1cc(S(=O)(=O)[N-]C[C@H]2CCCCN2S(C)(=O)=O)nc1C ZINC000511360469 490586011 /nfs/dbraw/zinc/58/60/11/490586011.db2.gz KFRWWNKIILTNTE-GFCCVEGCSA-N -1 3 364.493 0.304 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)o1 ZINC000511378197 490588029 /nfs/dbraw/zinc/58/80/29/490588029.db2.gz AEFIKOONDOXDIX-AGUYFDCRSA-N -1 3 355.460 0.950 10 0 FCAEHM Cn1cc(N2CCC[C@H](NC(=O)CNC(=O)c3ccc([O-])cc3)C2)cn1 ZINC000525253613 490588364 /nfs/dbraw/zinc/58/83/64/490588364.db2.gz RZCDDWLTNYQZOE-AWEZNQCLSA-N -1 3 357.414 0.641 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)c2cn(Cc3ccccc3)nn2)nc1=N ZINC000549723941 490596638 /nfs/dbraw/zinc/59/66/38/490596638.db2.gz GYUFQWONJMTUEL-CQSZACIVSA-N -1 3 352.402 0.845 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCN(C)CC1(C)C ZINC000501341801 490597800 /nfs/dbraw/zinc/59/78/00/490597800.db2.gz RGFSOJVNKJIOBV-NSHDSACASA-N -1 3 358.464 0.511 10 0 FCAEHM CC(=O)Nc1cccc(NC(=O)C[N-]S(=O)(=O)c2cn(C)c(C)n2)c1 ZINC000511572574 490604508 /nfs/dbraw/zinc/60/45/08/490604508.db2.gz KPEICJSRXKEUNN-UHFFFAOYSA-N -1 3 365.415 0.604 10 0 FCAEHM Cn1ccnc1CN1CCC[C@H](NC(=O)NCc2ncccc2[O-])C1=O ZINC000525922378 490653343 /nfs/dbraw/zinc/65/33/43/490653343.db2.gz JPZMRTVBFYPFGR-LBPRGKRZSA-N -1 3 358.402 0.511 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCOC[C@@H]1c1noc(-c2ccccc2)n1 ZINC000501935748 490655771 /nfs/dbraw/zinc/65/57/71/490655771.db2.gz CMKACYZVDGBKIW-NWDGAFQWSA-N -1 3 371.353 0.235 10 0 FCAEHM CS(=O)(=O)c1cccnc1C[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000486853968 490676402 /nfs/dbraw/zinc/67/64/02/490676402.db2.gz CDCSQBMUSQDWLZ-UHFFFAOYSA-N -1 3 368.436 0.994 10 0 FCAEHM Cn1nnc(C[N-]S(=O)(=O)c2ccc(NC(=O)c3ccncc3)cc2)n1 ZINC000486860564 490676759 /nfs/dbraw/zinc/67/67/59/490676759.db2.gz UKXFNKMDFREPES-UHFFFAOYSA-N -1 3 373.398 0.336 10 0 FCAEHM CC(C)CCc1ccccc1NC(=O)C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000526730781 490682732 /nfs/dbraw/zinc/68/27/32/490682732.db2.gz XSNZFPRROWEAFB-OAHLLOKOSA-N -1 3 372.425 0.976 10 0 FCAEHM COC(=O)CCCCNC(=O)N1CCC[C@H]1C[C@@]1(C)NC(=O)[N-]C1=O ZINC000487245782 490701162 /nfs/dbraw/zinc/70/11/62/490701162.db2.gz YQXHQKSQYOSTFY-MEDUHNTESA-N -1 3 354.407 0.492 10 0 FCAEHM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C[N-]S(=O)(=O)c2ccccc2F)CC1=O ZINC000572084658 491347943 /nfs/dbraw/zinc/34/79/43/491347943.db2.gz WQGUZIYEPJKALM-WZRBSPASSA-N -1 3 369.418 0.230 10 0 FCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccc(C)c1F ZINC000487343643 490706310 /nfs/dbraw/zinc/70/63/10/490706310.db2.gz VKYXWRDFFMQALZ-WDEREUQCSA-N -1 3 360.407 0.869 10 0 FCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000487343311 490706427 /nfs/dbraw/zinc/70/64/27/490706427.db2.gz HQJBHZNLBUWCJM-WDEREUQCSA-N -1 3 360.436 0.199 10 0 FCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1sccc1OC ZINC000487341745 490706629 /nfs/dbraw/zinc/70/66/29/490706629.db2.gz XPLJJGFLPCNSTQ-RKDXNWHRSA-N -1 3 364.445 0.491 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)NCCc3ccsc3)cnc21 ZINC000513169913 490712274 /nfs/dbraw/zinc/71/22/74/490712274.db2.gz HGCDWNDHKBCMAV-UHFFFAOYSA-N -1 3 366.424 0.617 10 0 FCAEHM CCCn1c(=O)[n-]nc1S(=O)(=O)Cc1cc(=O)n2cc(C)ccc2n1 ZINC000502647061 490713674 /nfs/dbraw/zinc/71/36/74/490713674.db2.gz JEHUNZNSNRUERF-UHFFFAOYSA-N -1 3 363.399 0.684 10 0 FCAEHM CN1CC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC1=O ZINC000572150276 491352516 /nfs/dbraw/zinc/35/25/16/491352516.db2.gz PUJKKWHIYXADFS-HIFRSBDPSA-N -1 3 359.426 0.981 10 0 FCAEHM CS(=O)(=O)N1CC[C@H](CN2CCN(C(=O)c3cccc([O-])c3)CC2)C1 ZINC000514083651 490761009 /nfs/dbraw/zinc/76/10/09/490761009.db2.gz NWGIKCQYVJBGOS-CQSZACIVSA-N -1 3 367.471 0.432 10 0 FCAEHM CN1CCN(c2cc(C(=O)N3CCc4c(nc[n-]c4=O)C3)ccn2)CC1 ZINC000572202197 491355580 /nfs/dbraw/zinc/35/55/80/491355580.db2.gz GJOJTYWAMPITBJ-UHFFFAOYSA-N -1 3 354.414 0.528 10 0 FCAEHM CCn1ncc(C[N-]S(=O)(=O)c2cccc(C(=O)NCCOC)c2)n1 ZINC000528447287 490798128 /nfs/dbraw/zinc/79/81/28/490798128.db2.gz DHFAJPOTGOETLO-UHFFFAOYSA-N -1 3 367.431 0.153 10 0 FCAEHM CCn1ncc(C[N-]S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)n1 ZINC000528447262 490798140 /nfs/dbraw/zinc/79/81/40/490798140.db2.gz YNZFUOLFTZJJSY-UHFFFAOYSA-N -1 3 352.420 0.341 10 0 FCAEHM CCN(CC)CCS(=O)(=O)[N-][C@H](C(=O)OC)[C@H]1CCC[C@@H](OC)C1 ZINC000514944804 490799651 /nfs/dbraw/zinc/79/96/51/490799651.db2.gz QMKUIBPEJNRRQX-ZNMIVQPWSA-N -1 3 364.508 0.994 10 0 FCAEHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]C[C@@H](O)[C@@H]2CCCO2)s1 ZINC000528494849 490803499 /nfs/dbraw/zinc/80/34/99/490803499.db2.gz XWJMFVQGJXAEAK-JLLWLGSASA-N -1 3 362.473 0.763 10 0 FCAEHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](O)[C@@H]2CCCO2)cc1F ZINC000528494791 490803677 /nfs/dbraw/zinc/80/36/77/490803677.db2.gz XTFVIFGHWMDBKY-NEPJUHHUSA-N -1 3 367.420 0.047 10 0 FCAEHM CN(C(=O)C[C@@H]1NC(=O)[N-]C1=O)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000540205187 490809761 /nfs/dbraw/zinc/80/97/61/490809761.db2.gz FNCAIWLQLQJCSG-DZGCQCFKSA-N -1 3 359.361 0.705 10 0 FCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000505116492 490820426 /nfs/dbraw/zinc/82/04/26/490820426.db2.gz BMGGXJWUNQOZOH-HTQZYQBOSA-N -1 3 351.338 0.283 10 0 FCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000505116492 490820428 /nfs/dbraw/zinc/82/04/28/490820428.db2.gz BMGGXJWUNQOZOH-HTQZYQBOSA-N -1 3 351.338 0.283 10 0 FCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000505116492 490820430 /nfs/dbraw/zinc/82/04/30/490820430.db2.gz BMGGXJWUNQOZOH-HTQZYQBOSA-N -1 3 351.338 0.283 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(C(=O)COc3cnn(C)c3)CC2)n[n-]1 ZINC000505138428 490821170 /nfs/dbraw/zinc/82/11/70/490821170.db2.gz CFUKJNZCOIWPID-UHFFFAOYSA-N -1 3 362.390 0.500 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(C(=O)COc3cnn(C)c3)CC2)[n-]1 ZINC000505138428 490821171 /nfs/dbraw/zinc/82/11/71/490821171.db2.gz CFUKJNZCOIWPID-UHFFFAOYSA-N -1 3 362.390 0.500 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCCc1cnc(SC2CCCC2)nc1 ZINC000557191216 491358795 /nfs/dbraw/zinc/35/87/95/491358795.db2.gz NJFIRLKKMCEDJA-LBPRGKRZSA-N -1 3 363.443 0.768 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@H](CO)c1ccsc1 ZINC000505596004 490834374 /nfs/dbraw/zinc/83/43/74/490834374.db2.gz IUTQRGGBGCQXLN-SECBINFHSA-N -1 3 374.216 0.623 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)NC[C@@H](O)[C@H]2CCCO2)ccc1F ZINC000529093413 490840507 /nfs/dbraw/zinc/84/05/07/490840507.db2.gz NFGFVSCWQJBHLT-VXGBXAGGSA-N -1 3 361.395 0.395 10 0 FCAEHM Cc1cc(C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c(C)n1[C@@H]1CCOC1 ZINC000529211130 490845942 /nfs/dbraw/zinc/84/59/42/490845942.db2.gz LJHLSVUVNBCAJS-ACJLOTCBSA-N -1 3 360.414 0.881 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000506078347 490849962 /nfs/dbraw/zinc/84/99/62/490849962.db2.gz PBLNNQYGKYUBBH-AWEZNQCLSA-N -1 3 354.366 0.258 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccc(F)c(F)c1)NCCCn1ccnn1 ZINC000541502060 490864299 /nfs/dbraw/zinc/86/42/99/490864299.db2.gz MSGRRGULBGLDND-UHFFFAOYSA-N -1 3 373.385 0.431 10 0 FCAEHM Cn1nnc2ccc(C(=O)Nc3ccc(C[C@@H]4NC(=O)[N-]C4=O)cc3)cc21 ZINC000541707689 490869902 /nfs/dbraw/zinc/86/99/02/490869902.db2.gz OOURFAUIKPIMCC-AWEZNQCLSA-N -1 3 364.365 0.971 10 0 FCAEHM COc1cccc(C(=O)NC[C@@]2(CO)COCC3(CCC3)N2C)c1[O-] ZINC000529750965 490872511 /nfs/dbraw/zinc/87/25/11/490872511.db2.gz GQYXKHDSIDPDRU-GOSISDBHSA-N -1 3 350.415 0.746 10 0 FCAEHM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCC[C@H](N3CCNCC3=O)C1)c2=O ZINC000516768682 490877260 /nfs/dbraw/zinc/87/72/60/490877260.db2.gz QNPNQRCRBCUTJV-ZDUSSCGKSA-N -1 3 369.425 0.680 10 0 FCAEHM Cc1ccc2c([O-])c(C(=O)N3CCC[C@H](N4CCNCC4=O)C3)cnc2n1 ZINC000516768682 490877261 /nfs/dbraw/zinc/87/72/61/490877261.db2.gz QNPNQRCRBCUTJV-ZDUSSCGKSA-N -1 3 369.425 0.680 10 0 FCAEHM COc1ccc(CN2CC[C@@H]2CNC(=O)CC[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000529830625 490878653 /nfs/dbraw/zinc/87/86/53/490878653.db2.gz JEEGMNJGYCWRTI-HIFRSBDPSA-N -1 3 360.414 0.374 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCc1ccc(Br)c(F)c1F ZINC000529876147 490879759 /nfs/dbraw/zinc/87/97/59/490879759.db2.gz GZKZFXKFQIZCQE-ZETCQYMHSA-N -1 3 362.130 0.942 10 0 FCAEHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c1 ZINC000542044373 490883288 /nfs/dbraw/zinc/88/32/88/490883288.db2.gz BRDSUEMEUSPKFT-BHYNMZESSA-N -1 3 370.402 0.900 10 0 FCAEHM C[C@@H](CNC(=O)C[N-]S(=O)(=O)c1cccs1)N1CCCCC1=O ZINC000530348327 490900573 /nfs/dbraw/zinc/90/05/73/490900573.db2.gz FVARQAMAYQEBGD-NSHDSACASA-N -1 3 359.473 0.544 10 0 FCAEHM COC(=O)c1ncccc1S(=O)(=O)[N-][C@@H](CO)C[C@H](O)C(C)(C)C ZINC000517247727 490901321 /nfs/dbraw/zinc/90/13/21/490901321.db2.gz RJZVIAXMADPVFD-PWSUYJOCSA-N -1 3 360.432 0.305 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(N)=O)C2)c(F)c1 ZINC000530431205 490905289 /nfs/dbraw/zinc/90/52/89/490905289.db2.gz WVJKOUJKORIWDC-KOLCDFICSA-N -1 3 358.391 0.935 10 0 FCAEHM CCn1c(=O)[n-]c(=O)c2c(C(=O)N3CC(=O)N(C)C3)cc(C3CC3)nc21 ZINC000542753761 490906721 /nfs/dbraw/zinc/90/67/21/490906721.db2.gz AZBRQCZBBKIIFH-UHFFFAOYSA-N -1 3 357.370 0.266 10 0 FCAEHM COc1ccc(S(=O)(=O)N2[C@H](C)C[C@H]2C)cc1[C@@]1(C)NC(=O)[N-]C1=O ZINC000530479085 490907853 /nfs/dbraw/zinc/90/78/53/490907853.db2.gz ASJWGIGRFJAURY-XIZWVBILSA-N -1 3 367.427 0.921 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-][C@@H]2CCCN(Cc3nccn3C)C2=O)c1 ZINC000543050043 490920431 /nfs/dbraw/zinc/92/04/31/490920431.db2.gz KOWIFXAKVFOQKA-GFCCVEGCSA-N -1 3 366.447 0.106 10 0 FCAEHM Cn1ccnc1CN1CCC[C@H](NC(=O)c2ccc3n[n-]nc3c2)C1=O ZINC000543104479 490922199 /nfs/dbraw/zinc/92/21/99/490922199.db2.gz AOZIMRCEBMLXLC-ZDUSSCGKSA-N -1 3 353.386 0.612 10 0 FCAEHM C[C@@](O)(CO)CNC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000517968607 490926833 /nfs/dbraw/zinc/92/68/33/490926833.db2.gz ZDRVLTNQQZZLNR-AWEZNQCLSA-N -1 3 374.440 0.293 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCN(CC(F)(F)F)C2)c(C)o1 ZINC000530954785 490933558 /nfs/dbraw/zinc/93/35/58/490933558.db2.gz KAWYRKKDYDDKHU-VIFPVBQESA-N -1 3 369.365 0.863 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)c(C)o1 ZINC000530954781 490933561 /nfs/dbraw/zinc/93/35/61/490933561.db2.gz KAWYRKKDYDDKHU-SECBINFHSA-N -1 3 369.365 0.863 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)N1CCO[C@]2(CCSC2)C1 ZINC000572365802 491365170 /nfs/dbraw/zinc/36/51/70/491365170.db2.gz AWOYHVCWZPIEPB-OAHLLOKOSA-N -1 3 374.459 0.839 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]Cc2ccccc2CN2CC[C@@H](O)C2)c1 ZINC000543774989 490946403 /nfs/dbraw/zinc/94/64/03/490946403.db2.gz RCXSOROYSLLOSJ-MRXNPFEDSA-N -1 3 364.471 0.948 10 0 FCAEHM CCN(Cc1cn(C)nn1)C(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000543832546 490949196 /nfs/dbraw/zinc/94/91/96/490949196.db2.gz MJHAWGXENIBOCG-KRWDZBQOSA-N -1 3 356.386 0.532 10 0 FCAEHM C[C@@]1(c2ccc(CNC(=O)[C@H](O)C3CCOCC3)cc2)NC(=O)[N-]C1=O ZINC000531296233 490950716 /nfs/dbraw/zinc/95/07/16/490950716.db2.gz OXORJVWOBLLBBR-KDOFPFPSSA-N -1 3 361.398 0.145 10 0 FCAEHM Cn1ccnc1CN1CCC[C@@H]([N-]S(=O)(=O)C[C@H]2CCCCO2)C1=O ZINC000543978894 490953877 /nfs/dbraw/zinc/95/38/77/490953877.db2.gz DMFPLVSLKZHDPM-ZIAGYGMSSA-N -1 3 370.475 0.400 10 0 FCAEHM CN(C)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000519005071 490958856 /nfs/dbraw/zinc/95/88/56/490958856.db2.gz GDSUGQJGLKVEIO-HNNXBMFYSA-N -1 3 374.441 0.823 10 0 FCAEHM NC(=O)[C@H]1CCC[C@H](NC(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000531728334 490971640 /nfs/dbraw/zinc/97/16/40/490971640.db2.gz YCUOYFFFIDFPIF-RYUDHWBXSA-N -1 3 370.409 0.418 10 0 FCAEHM NC(=O)C1CCC(NC(=O)CC[N-]S(=O)(=O)c2cccs2)CC1 ZINC000519503654 490973493 /nfs/dbraw/zinc/97/34/93/490973493.db2.gz VGUQBLFCPPBSQM-UHFFFAOYSA-N -1 3 359.473 0.577 10 0 FCAEHM O=S(=O)([N-]CC(F)F)c1cccc(S(=O)(=O)N2CCCO2)c1 ZINC000519539774 490975327 /nfs/dbraw/zinc/97/53/27/490975327.db2.gz BDBZYILIDIPQSN-UHFFFAOYSA-N -1 3 356.372 0.556 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)Nc1cccc(N(C)C(C)=O)c1 ZINC000531824734 490975784 /nfs/dbraw/zinc/97/57/84/490975784.db2.gz RXOUMSLBUNYSTA-UHFFFAOYSA-N -1 3 357.432 0.564 10 0 FCAEHM Cn1c(C(=O)Nc2nc(C3CCC3)n[n-]2)cc2c1n(C)c(=O)n(C)c2=O ZINC000544813693 490982637 /nfs/dbraw/zinc/98/26/37/490982637.db2.gz FBUVYXVJEADWEM-UHFFFAOYSA-N -1 3 357.374 0.214 10 0 FCAEHM Cn1nc(-c2ccccc2)nc1Cc1noc(CN2CC(=O)[N-]C2=O)n1 ZINC000545134069 490988404 /nfs/dbraw/zinc/98/84/04/490988404.db2.gz NAESYNAOUIJRGO-UHFFFAOYSA-N -1 3 353.342 0.508 10 0 FCAEHM NC(=O)[C@H]1CCC[C@@H](NC(=O)CC[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000532237939 490989669 /nfs/dbraw/zinc/98/96/69/490989669.db2.gz BSGZFCNSDREXHF-NWDGAFQWSA-N -1 3 371.434 0.654 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N(C[C@@H]2CCCO2)C2CCCC2)c1 ZINC000532298803 490990531 /nfs/dbraw/zinc/99/05/31/490990531.db2.gz PELHIMQLEYBDLQ-AWEZNQCLSA-N -1 3 370.475 0.649 10 0 FCAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]Cc1cc(OC)no1 ZINC000595345478 491922460 /nfs/dbraw/zinc/92/24/60/491922460.db2.gz QASDBGFBBHFFPI-MRVPVSSYSA-N -1 3 360.310 0.987 10 0 FCAEHM COc1cc(NC(=O)Nc2ccc(C[C@H]3NC(=O)[N-]C3=O)cc2)nn1C ZINC000569657545 491178413 /nfs/dbraw/zinc/17/84/13/491178413.db2.gz CEFWSLDINJUPCB-LLVKDONJSA-N -1 3 358.358 0.823 10 0 FCAEHM COC[C@](C)(O)CC[N-]S(=O)(=O)c1ccc(CCNC(C)=O)s1 ZINC000572542743 491377878 /nfs/dbraw/zinc/37/78/78/491377878.db2.gz LMTSXYOVJZPKDY-CQSZACIVSA-N -1 3 364.489 0.493 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](CO)c2cccnc2)s1 ZINC000572628617 491382728 /nfs/dbraw/zinc/38/27/28/491382728.db2.gz MDIDIVJCXAXIFB-LLVKDONJSA-N -1 3 356.425 0.984 10 0 FCAEHM Cn1c(=O)ccc2ccc(NC(=O)N3CCN4C(=O)[N-]C(=O)[C@H]4C3)cc21 ZINC000572910496 491401584 /nfs/dbraw/zinc/40/15/84/491401584.db2.gz IODGRJDITRQEIR-CYBMUJFWSA-N -1 3 355.354 0.306 10 0 FCAEHM Cc1noc(C)c1CO[C@@H]1CCN(C(=O)C(=O)[N-]c2cnns2)C1 ZINC000683239335 493340534 /nfs/dbraw/zinc/34/05/34/493340534.db2.gz AQPSCTQFSRDXJY-SNVBAGLBSA-N -1 3 351.388 0.899 10 0 FCAEHM C[C@@](O)(CO)CNC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000565880672 491404802 /nfs/dbraw/zinc/40/48/02/491404802.db2.gz UYRRZMUAEUBHPJ-LBPRGKRZSA-N -1 3 370.349 0.550 10 0 FCAEHM NC(=O)[C@@H]1CCCCC[C@H]1NC(=O)C[N-]S(=O)(=O)c1ccccc1F ZINC000565981925 491410560 /nfs/dbraw/zinc/41/05/60/491410560.db2.gz VOZOZXJRFNGRSL-DGCLKSJQSA-N -1 3 371.434 0.654 10 0 FCAEHM COC(=O)CCS(=O)(=O)[N-]c1ccc(F)c(N2C(=O)CNC2=O)c1 ZINC000573498131 491437262 /nfs/dbraw/zinc/43/72/62/491437262.db2.gz XKWATYMLUQMREJ-UHFFFAOYSA-N -1 3 359.335 0.187 10 0 FCAEHM C[C@@H]1CN(C(=O)NCc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)CC(=O)N1C ZINC000558651059 491439872 /nfs/dbraw/zinc/43/98/72/491439872.db2.gz LYWDRTOOMGTMGE-ADLMAVQZSA-N -1 3 373.413 0.113 10 0 FCAEHM Cn1nc(C2CC2)nc1Cn1cc(I)c(=O)[n-]c1=O ZINC000566498074 491448936 /nfs/dbraw/zinc/44/89/36/491448936.db2.gz AKOBYMONEZONEY-UHFFFAOYSA-N -1 3 373.154 0.608 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)CNC(=O)c2ccc(F)cc2F)nc1=N ZINC000566683159 491460579 /nfs/dbraw/zinc/46/05/79/491460579.db2.gz BDRPKRVOEVUESS-LBPRGKRZSA-N -1 3 364.356 0.599 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCNC[C@](C)(F)C1 ZINC000566800509 491467816 /nfs/dbraw/zinc/46/78/16/491467816.db2.gz ZJVQQQCIEBWQJJ-SFHVURJKSA-N -1 3 359.405 0.843 10 0 FCAEHM CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000566982856 491479173 /nfs/dbraw/zinc/47/91/73/491479173.db2.gz OOSQRTJBTSDEHQ-LLVKDONJSA-N -1 3 354.432 0.604 10 0 FCAEHM CO[C@@H]1CC[C@H](NC(=O)N2CC[C@@H](N(C)Cc3cc(=O)[n-]c(N)n3)C2)C1 ZINC000574533143 491503298 /nfs/dbraw/zinc/50/32/98/491503298.db2.gz CJAGCLVJGZXGGT-IACUBPJLSA-N -1 3 364.450 0.548 10 0 FCAEHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-][C@H]3CCN(S(C)(=O)=O)C3)cn21 ZINC000567507465 491510933 /nfs/dbraw/zinc/51/09/33/491510933.db2.gz DEGMDIFLAUSEIW-MNOVXSKESA-N -1 3 362.477 0.093 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-][C@H]1CCCN(Cc2ccccn2)C1=O)C1CC1 ZINC000567608926 491517715 /nfs/dbraw/zinc/51/77/15/491517715.db2.gz UTSNQXGTRFRUFY-HOTGVXAUSA-N -1 3 367.471 0.917 10 0 FCAEHM CC[C@@H](C)C[C@H]([N-]S(=O)(=O)N1CCC(C(=O)OC)CC1)C(=O)OC ZINC000574806374 491521093 /nfs/dbraw/zinc/52/10/93/491521093.db2.gz FIKMZXZJRKYKEK-YPMHNXCESA-N -1 3 364.464 0.684 10 0 FCAEHM COC(=O)c1coc(C(=O)[N-]c2cc(S(N)(=O)=O)ccc2OC)c1 ZINC000575097776 491538925 /nfs/dbraw/zinc/53/89/25/491538925.db2.gz NAXSEJGEDWFNII-UHFFFAOYSA-N -1 3 354.340 0.975 10 0 FCAEHM CCOC(=O)[C@H]([N-]S(=O)(=O)CCN(CC)CC)[C@H]1CCCOC1 ZINC000568010308 491547228 /nfs/dbraw/zinc/54/72/28/491547228.db2.gz AFEXRTIEZUSSMG-UONOGXRCSA-N -1 3 350.481 0.606 10 0 FCAEHM CCC[C@@H](C)[C@H](CO)NS(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000568033304 491549038 /nfs/dbraw/zinc/54/90/38/491549038.db2.gz ICCXBCOLXCAVIJ-SKDRFNHKSA-N -1 3 370.431 0.110 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)CCNC(=O)c2ccc(F)cc2)nc1=N ZINC000568047550 491550078 /nfs/dbraw/zinc/55/00/78/491550078.db2.gz PTDXJFWCIWFRCN-ZDUSSCGKSA-N -1 3 360.393 0.850 10 0 FCAEHM CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000560872925 491560993 /nfs/dbraw/zinc/56/09/93/491560993.db2.gz LVYBGKDHYUPTOE-NSHDSACASA-N -1 3 359.473 0.542 10 0 FCAEHM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1C[C@H](C)N(CCO)C[C@@H]1C ZINC000568227580 491561397 /nfs/dbraw/zinc/56/13/97/491561397.db2.gz NALXVBZVGVMESW-RYUDHWBXSA-N -1 3 361.446 0.508 10 0 FCAEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](CO)[C@H]1CCCOC1 ZINC000568264058 491563998 /nfs/dbraw/zinc/56/39/98/491563998.db2.gz TUWSVMYYCJDYBC-CMPLNLGQSA-N -1 3 360.388 0.669 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)CN2C(=O)NC(=O)C2(C)C)ccc1F ZINC000561001610 491569410 /nfs/dbraw/zinc/56/94/10/491569410.db2.gz IDYBMVZSPYRSNF-UHFFFAOYSA-N -1 3 372.378 0.003 10 0 FCAEHM Cc1ccccc1[C@H]1C(=O)NCCN1C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000683417874 493351384 /nfs/dbraw/zinc/35/13/84/493351384.db2.gz ICWCPFWVFUTYFJ-HNNXBMFYSA-N -1 3 355.398 0.870 10 0 FCAEHM CN(C)c1nc(C(=O)N2CC[C@@]3(C2)c2ccccc2NC3=O)cc(=O)[n-]1 ZINC000683418208 493351470 /nfs/dbraw/zinc/35/14/70/493351470.db2.gz WHZHDUKLXBCARO-GOSISDBHSA-N -1 3 353.382 0.984 10 0 FCAEHM C[C@@H]1CCN(CC(=O)NCCCN2CCCCCC2=O)C[C@@H]1C(=O)[O-] ZINC000576107478 491581918 /nfs/dbraw/zinc/58/19/18/491581918.db2.gz QORLCLDFRCYBIL-CABCVRRESA-N -1 3 353.463 0.938 10 0 FCAEHM CCn1nc(C(=O)N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)c(=O)c2ccccc21 ZINC000577069768 491586032 /nfs/dbraw/zinc/58/60/32/491586032.db2.gz UONNQAVWWOBHJD-CYBMUJFWSA-N -1 3 367.413 0.935 10 0 FCAEHM CC(=O)Nc1ncc(S(=O)(=O)[N-]C[C@@H](CO)c2cccnc2)s1 ZINC000584428265 491591166 /nfs/dbraw/zinc/59/11/66/491591166.db2.gz OIARDQAUBPPEJO-NSHDSACASA-N -1 3 356.429 0.551 10 0 FCAEHM CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[C@]1(C)NC(=O)[N-]C1=O ZINC000576214817 491593425 /nfs/dbraw/zinc/59/34/25/491593425.db2.gz LQNIXGCIDFSQJJ-VFVRVIDISA-N -1 3 364.446 0.613 10 0 FCAEHM Cn1ccc(S(=O)(=O)[N-][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)n1 ZINC000584467576 491594469 /nfs/dbraw/zinc/59/44/69/491594469.db2.gz UIUVSHUXPGROKG-CYBMUJFWSA-N -1 3 352.391 0.639 10 0 FCAEHM CNC(=O)[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000577146440 491595514 /nfs/dbraw/zinc/59/55/14/491595514.db2.gz BQDKGPBXGMCOFE-WDEREUQCSA-N -1 3 358.416 0.876 10 0 FCAEHM O=c1[n-]c(=O)n(Cc2noc(C3CC3)n2)cc1I ZINC000568648280 491597239 /nfs/dbraw/zinc/59/72/39/491597239.db2.gz FGITUJFRWVSDPT-UHFFFAOYSA-N -1 3 360.111 0.862 10 0 FCAEHM CN(C)c1nc(CN(C)[C@H]2CCN(c3ncnc4n[nH]cc43)C2)cc(=O)[n-]1 ZINC000568666912 491598622 /nfs/dbraw/zinc/59/86/22/491598622.db2.gz BKERQBWXTZKOMO-LBPRGKRZSA-N -1 3 369.433 0.625 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]c1ccc(C[C@@H]2NC(=O)NC2=O)cc1)C1CC1 ZINC000576280170 491601105 /nfs/dbraw/zinc/60/11/05/491601105.db2.gz VQTOMECPOLZIOY-UONOGXRCSA-N -1 3 367.427 0.604 10 0 FCAEHM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-][C@@H](C[C@H](C)CC)C(=O)OC ZINC000577218574 491603635 /nfs/dbraw/zinc/60/36/35/491603635.db2.gz DUIQNQDFEOOKGP-AGIUHOORSA-N -1 3 364.464 0.826 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2C[C@H]3CCC[C@@H](C2)N3)s1 ZINC000576373118 491609053 /nfs/dbraw/zinc/60/90/53/491609053.db2.gz DHYLPKKEVOMUFW-PHIMTYICSA-N -1 3 358.489 0.692 10 0 FCAEHM COc1cccc(CCC(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1OC ZINC000577575893 491633265 /nfs/dbraw/zinc/63/32/65/491633265.db2.gz WVJQJRPPBRORED-GOSISDBHSA-N -1 3 361.398 0.837 10 0 FCAEHM CN(C)S(=O)(=O)C[C@H](NC(=O)NCc1ncccc1[O-])C(F)(F)F ZINC000561890775 491638315 /nfs/dbraw/zinc/63/83/15/491638315.db2.gz KPADUBOXXARPQK-JTQLQIEISA-N -1 3 370.353 0.409 10 0 FCAEHM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC000576719453 491639152 /nfs/dbraw/zinc/63/91/52/491639152.db2.gz XXUJURYRFMXOEP-NWDGAFQWSA-N -1 3 367.514 0.834 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)nc1=N ZINC000561947278 491641432 /nfs/dbraw/zinc/64/14/32/491641432.db2.gz SKQIWBDIFUMQON-CVEARBPZSA-N -1 3 370.457 0.792 10 0 FCAEHM Cc1ccc2cccc(S(=O)(=O)N3CCC[C@@]4(C3)NC(=O)[N-]C4=O)c2n1 ZINC000569307166 491650626 /nfs/dbraw/zinc/65/06/26/491650626.db2.gz YQSSBLVLUUGHGU-KRWDZBQOSA-N -1 3 374.422 0.906 10 0 FCAEHM Cn1ccnc1C[C@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1N)c1ccccc1 ZINC000673684437 493358511 /nfs/dbraw/zinc/35/85/11/493358511.db2.gz YIXHFJJAPLOHQC-NSHDSACASA-N -1 3 354.370 0.917 10 0 FCAEHM CCN(Cc1cn(C)nn1)C(=O)C[N-]S(=O)(=O)c1ccccc1F ZINC000562183656 491657984 /nfs/dbraw/zinc/65/79/84/491657984.db2.gz UZVXUHUEFOXIIX-UHFFFAOYSA-N -1 3 355.395 0.281 10 0 FCAEHM Cc1nc(C)c(CC(=O)Nc2ccc3c(c2)CN(CC(N)=O)CC3)c(=O)[n-]1 ZINC000578636644 491681452 /nfs/dbraw/zinc/68/14/52/491681452.db2.gz IEUSDLNYTUIKET-UHFFFAOYSA-N -1 3 369.425 0.824 10 0 FCAEHM C[C@H](Sc1nnnn1C1CC1)C(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1 ZINC000579527976 491699712 /nfs/dbraw/zinc/69/97/12/491699712.db2.gz UQUYQHKBRLZNTO-WPRPVWTQSA-N -1 3 363.451 0.393 10 0 FCAEHM O=C1[N-]C(=O)[C@@]2(CCCN(S(=O)(=O)c3cnc4ccccc4c3)C2)N1 ZINC000584817997 491715880 /nfs/dbraw/zinc/71/58/80/491715880.db2.gz BQBPNILXJQXGGX-INIZCTEOSA-N -1 3 360.395 0.598 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccccc2CC(=O)OC)cn1 ZINC000580808647 491746497 /nfs/dbraw/zinc/74/64/97/491746497.db2.gz ZCVPEMWTVWGCPM-UHFFFAOYSA-N -1 3 363.395 0.958 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C[C@@]1(CCO)CCOC1 ZINC000581040240 491756952 /nfs/dbraw/zinc/75/69/52/491756952.db2.gz LSJLKTUHAKRAJD-OAHLLOKOSA-N -1 3 361.416 0.750 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@H](CO)[C@H]1CCCOC1 ZINC000582133202 491799393 /nfs/dbraw/zinc/79/93/93/491799393.db2.gz MVWGLBFUGJZGAQ-NWDGAFQWSA-N -1 3 361.416 0.749 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@H](CO)[C@@H]1CCCOC1 ZINC000582133204 491799848 /nfs/dbraw/zinc/79/98/48/491799848.db2.gz MVWGLBFUGJZGAQ-VXGBXAGGSA-N -1 3 361.416 0.749 10 0 FCAEHM COC[C@](C)(CC(=O)OC)[N-]S(=O)(=O)C[C@H](OC)C1CCOCC1 ZINC000592034636 491828356 /nfs/dbraw/zinc/82/83/56/491828356.db2.gz LCVXRBKSADQJJY-ZFWWWQNUSA-N -1 3 367.464 0.316 10 0 FCAEHM CC(C)(C)OC(=O)[C@@](C)(O)C[N-]S(=O)(=O)CCC[C@@H]1CCOC1 ZINC000592045695 491829264 /nfs/dbraw/zinc/82/92/64/491829264.db2.gz CMOCQZLFPUFYBB-DOMZBBRYSA-N -1 3 351.465 0.815 10 0 FCAEHM CC(C)(C)OC(=O)[C@@](C)(O)C[N-]S(=O)(=O)CCOCC1CCC1 ZINC000592045673 491829349 /nfs/dbraw/zinc/82/93/49/491829349.db2.gz AIMQUWOXSCWOET-HNNXBMFYSA-N -1 3 351.465 0.815 10 0 FCAEHM CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000583092808 491837886 /nfs/dbraw/zinc/83/78/86/491837886.db2.gz ADCSZYWRWASRSN-GHMZBOCLSA-N -1 3 354.432 0.507 10 0 FCAEHM COCC[C@@H]([N-]S(=O)(=O)C1CN(C(=O)c2ccccc2)C1)C(=O)OC ZINC000583255823 491840869 /nfs/dbraw/zinc/84/08/69/491840869.db2.gz CNCKRBQYDVBXOI-CQSZACIVSA-N -1 3 370.427 0.009 10 0 FCAEHM O=c1[nH]c2cc(F)c(S(=O)(=O)[N-]C[C@@]3(CCO)CCOC3)cc2o1 ZINC000583333641 491842580 /nfs/dbraw/zinc/84/25/80/491842580.db2.gz XFEJBEFBZSFWOZ-CQSZACIVSA-N -1 3 360.363 0.328 10 0 FCAEHM Cn1ccc([C@@H]2NC(=O)N(CC[N-]S(=O)(=O)c3cccs3)C2=O)n1 ZINC000584150287 491859496 /nfs/dbraw/zinc/85/94/96/491859496.db2.gz GZIPGEULLDEMEY-NSHDSACASA-N -1 3 369.428 0.053 10 0 FCAEHM COC(=O)c1csc(S(=O)(=O)[N-][C@H]2CC[C@H](C)S(=O)(=O)C2)c1 ZINC000594848962 491866474 /nfs/dbraw/zinc/86/64/74/491866474.db2.gz HHUSCTZJXNPVIH-WPRPVWTQSA-N -1 3 367.470 0.779 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@](C)(CCF)C(=O)OC)c(C)o1 ZINC000594864646 491868054 /nfs/dbraw/zinc/86/80/54/491868054.db2.gz HOCDHEDPQZRJNJ-CYBMUJFWSA-N -1 3 351.352 0.944 10 0 FCAEHM COC(=O)C[C@@H](C[N-]S(=O)(=O)c1cnc(NC(C)=O)s1)C1CC1 ZINC000594865235 491868301 /nfs/dbraw/zinc/86/83/01/491868301.db2.gz ZJLZMLQSISIMEN-JTQLQIEISA-N -1 3 361.445 0.969 10 0 FCAEHM O=C(CNC(=O)c1ccc([O-])cc1)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000601041944 491895002 /nfs/dbraw/zinc/89/50/02/491895002.db2.gz KMJSDWZWTUISEV-OAHLLOKOSA-N -1 3 359.426 0.983 10 0 FCAEHM CN(C)C1(CS(=O)(=O)[N-]C2(C(=O)OC(C)(C)C)CCOCC2)CC1 ZINC000601469443 491924734 /nfs/dbraw/zinc/92/47/34/491924734.db2.gz QMHIIACPOLWRTM-UHFFFAOYSA-N -1 3 362.492 0.891 10 0 FCAEHM CCOC(=O)[C@]1(C[N-]S(=O)(=O)C[C@@H](OC)C(C)C)CCCOC1 ZINC000601512929 491930247 /nfs/dbraw/zinc/93/02/47/491930247.db2.gz DZZCADBPMSKOQX-HIFRSBDPSA-N -1 3 351.465 0.937 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)[C@@H]1CCc2nc[nH]c2C1 ZINC000612737889 491948067 /nfs/dbraw/zinc/94/80/67/491948067.db2.gz ALRSPLWLLTWCPZ-SNVBAGLBSA-N -1 3 354.457 0.671 10 0 FCAEHM COC(=O)Cc1n[n-]c(NC(=O)CN2CC[C@H](c3ccccc3)NC2=O)n1 ZINC000597270004 492026440 /nfs/dbraw/zinc/02/64/40/492026440.db2.gz XZLGYDFUIXFBBS-GFCCVEGCSA-N -1 3 372.385 0.615 10 0 FCAEHM COC(=O)Cc1nnc(NC(=O)CN2CC[C@H](c3ccccc3)NC2=O)[n-]1 ZINC000597270004 492026441 /nfs/dbraw/zinc/02/64/41/492026441.db2.gz XZLGYDFUIXFBBS-GFCCVEGCSA-N -1 3 372.385 0.615 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)CN2CC[C@H](c3ccccc3)NC2=O)n[n-]1 ZINC000597270004 492026443 /nfs/dbraw/zinc/02/64/43/492026443.db2.gz XZLGYDFUIXFBBS-GFCCVEGCSA-N -1 3 372.385 0.615 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)c2cccc(Cn3ccnn3)c2)nc1=N ZINC000614427718 492029411 /nfs/dbraw/zinc/02/94/11/492029411.db2.gz SMUHSKFCOMFQEB-AWEZNQCLSA-N -1 3 352.402 0.845 10 0 FCAEHM C[C@@]1(C[C@H]2CCCN2C(=O)CN2C(=O)Cc3ccccc32)NC(=O)[N-]C1=O ZINC000614730000 492050867 /nfs/dbraw/zinc/05/08/67/492050867.db2.gz SKLWRFNJYYMLHZ-YJYMSZOUSA-N -1 3 370.409 0.555 10 0 FCAEHM C[C@H](NC(=O)[C@@H]1CCN=C2C1=NNN2C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614826415 492058330 /nfs/dbraw/zinc/05/83/30/492058330.db2.gz MKQUDUXWNMNYET-GARJFASQSA-N -1 3 373.417 0.091 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC1(C(N)=O)CCCC1 ZINC000604411654 492060738 /nfs/dbraw/zinc/06/07/38/492060738.db2.gz KEOVVMRVEXARFL-UHFFFAOYSA-N -1 3 360.457 0.414 10 0 FCAEHM COc1ccc([C@@H]2[C@H](C(=O)NCCCc3cc(=O)[nH][n-]3)CC(=O)N2C)cc1 ZINC000614920888 492064585 /nfs/dbraw/zinc/06/45/85/492064585.db2.gz IHIKZJILVBSIFD-CRAIPNDOSA-N -1 3 372.425 0.987 10 0 FCAEHM O=C(NCCCc1cc(=O)[nH][n-]1)[C@H](C[C@H]1COCCO1)C(F)(F)F ZINC000614922763 492064599 /nfs/dbraw/zinc/06/45/99/492064599.db2.gz PGKVWIOJVOAPMZ-QWRGUYRKSA-N -1 3 351.325 0.743 10 0 FCAEHM C[C@@H]1CCN(C(=O)CC[C@H]2NC(=O)[N-]C2=O)C[C@H]1C(=O)OC(C)(C)C ZINC000597802195 492067561 /nfs/dbraw/zinc/06/75/61/492067561.db2.gz FWPRNUNGXIAJPD-IJLUTSLNSA-N -1 3 353.419 0.801 10 0 FCAEHM CN1CCC[C@H]1[C@@H]1COCCN1C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000615266251 492082741 /nfs/dbraw/zinc/08/27/41/492082741.db2.gz RZYLELLBSQYYGC-STQMWFEESA-N -1 3 359.386 0.371 10 0 FCAEHM COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)CC[C@@H]1NC(=O)[N-]C1=O)CCC2 ZINC000598104058 492083480 /nfs/dbraw/zinc/08/34/80/492083480.db2.gz GUXMCDLQJUBSQE-HIFRSBDPSA-N -1 3 373.409 0.998 10 0 FCAEHM CCC[C@H](C(=O)OCC)n1ccc(NC(=O)CC[C@@H]2NC(=O)[N-]C2=O)n1 ZINC000598111453 492083898 /nfs/dbraw/zinc/08/38/98/492083898.db2.gz HQQQCNPQKBRLTK-WDEREUQCSA-N -1 3 365.390 0.714 10 0 FCAEHM CN1CCC[C@H]1[C@H]1COCCN1C(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000615275084 492083974 /nfs/dbraw/zinc/08/39/74/492083974.db2.gz LFSYEOKREYVICA-LSDHHAIUSA-N -1 3 358.398 0.965 10 0 FCAEHM COC(=O)[C@](C)(CCF)NC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000598278742 492092350 /nfs/dbraw/zinc/09/23/50/492092350.db2.gz ZEOMZOBGLKSRTN-LBPRGKRZSA-N -1 3 352.409 0.434 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](CC(=O)OC)C2CC2)c(C)o1 ZINC000598277941 492092457 /nfs/dbraw/zinc/09/24/57/492092457.db2.gz QUPJGBHRROTUOV-LLVKDONJSA-N -1 3 358.416 0.815 10 0 FCAEHM CCOC(=O)C12CC(C1)CN2C(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000598444117 492098522 /nfs/dbraw/zinc/09/85/22/492098522.db2.gz OHONKABIUJZEKY-NCMFDSATSA-N -1 3 371.393 0.909 10 0 FCAEHM CCOC(=O)C12CC(C1)CN2C(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000598447607 492098756 /nfs/dbraw/zinc/09/87/56/492098756.db2.gz VOMDNJACSYDGNM-UHFFFAOYSA-N -1 3 356.400 0.664 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)N1CCOC1 ZINC000615758628 492101512 /nfs/dbraw/zinc/10/15/12/492101512.db2.gz HKPHAUONNFMMNS-UHFFFAOYSA-N -1 3 355.235 0.605 10 0 FCAEHM CC(C)(C)OC(=O)[C@@](C)(NC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1ccccc1 ZINC000598504378 492102261 /nfs/dbraw/zinc/10/22/61/492102261.db2.gz AIBGWCVODZIQLH-SGTLLEGYSA-N -1 3 361.398 0.958 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)C[C@@H](C)NC(=O)C2CCCC2)[n-]1 ZINC000615918547 492106949 /nfs/dbraw/zinc/10/69/49/492106949.db2.gz UJTVSWVVIGIBRW-SNVBAGLBSA-N -1 3 351.407 0.683 10 0 FCAEHM CCOC(=O)c1nc(CNC(=O)[C@@H](C(C)C)N2C[C@@H](C)O[C@@H](C)C2)n[n-]1 ZINC000615919248 492107339 /nfs/dbraw/zinc/10/73/39/492107339.db2.gz CBAOKJUDJBRTBV-MBNYWOFBSA-N -1 3 367.450 0.731 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)[C@@H](C(C)C)N2C[C@@H](C)O[C@@H](C)C2)[n-]1 ZINC000615919248 492107341 /nfs/dbraw/zinc/10/73/41/492107341.db2.gz CBAOKJUDJBRTBV-MBNYWOFBSA-N -1 3 367.450 0.731 10 0 FCAEHM CCOC(=O)c1n[n-]c(CNC(=O)[C@@H](C(C)C)N2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000615919248 492107342 /nfs/dbraw/zinc/10/73/42/492107342.db2.gz CBAOKJUDJBRTBV-MBNYWOFBSA-N -1 3 367.450 0.731 10 0 FCAEHM NS(=O)(=O)N1CCC(C(=O)NCc2ccc([O-])c3ncccc23)CC1 ZINC000616020965 492114953 /nfs/dbraw/zinc/11/49/53/492114953.db2.gz SZQARWOKSCBIGU-UHFFFAOYSA-N -1 3 364.427 0.472 10 0 FCAEHM COC[C@@]1(C(=O)OC)CCCN1C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000598864502 492119599 /nfs/dbraw/zinc/11/95/99/492119599.db2.gz RWWFWMVAZQOFSA-QGZVFWFLSA-N -1 3 351.403 0.912 10 0 FCAEHM C[C@]1(c2ccc(NC(=O)CNC(=O)c3ccccn3)cc2)NC(=O)[N-]C1=O ZINC000606832530 492130420 /nfs/dbraw/zinc/13/04/20/492130420.db2.gz BWZTYSIWNXDABG-GOSISDBHSA-N -1 3 367.365 0.505 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-][C@@](C)(COC)CC(=O)OC)CCOCC1 ZINC000599251131 492148892 /nfs/dbraw/zinc/14/88/92/492148892.db2.gz GILBYCUCYFAPFP-CQSZACIVSA-N -1 3 367.464 0.460 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@H](C)CS(=O)(=O)CC)on1 ZINC000599266172 492151629 /nfs/dbraw/zinc/15/16/29/492151629.db2.gz RYOASISPIUNOFX-SECBINFHSA-N -1 3 368.433 0.094 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@H](c1ccccc1)C1(CO)CCOCC1 ZINC000616900533 492147742 /nfs/dbraw/zinc/14/77/42/492147742.db2.gz DMABACDYTYBETG-MRXNPFEDSA-N -1 3 361.398 0.185 10 0 FCAEHM COC(=O)[C@@]1([N-]S(=O)(=O)c2cccnc2OCC(F)F)CCOC1 ZINC000599256628 492149910 /nfs/dbraw/zinc/14/99/10/492149910.db2.gz AZSDSKICKIRTCG-CYBMUJFWSA-N -1 3 366.342 0.336 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@H](C)[C@H](CO)SC)on1 ZINC000599266718 492151507 /nfs/dbraw/zinc/15/15/07/492151507.db2.gz PSFJTYWTIYBEDU-KCJUWKMLSA-N -1 3 352.434 0.383 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H]2C[C@@H](OCC)[C@H]2OC)on1 ZINC000599280000 492153673 /nfs/dbraw/zinc/15/36/73/492153673.db2.gz SMOOJEAZILYUMP-RTXFEEFZSA-N -1 3 362.404 0.463 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@H]2CCn3ccnc3C2)on1 ZINC000599281518 492153853 /nfs/dbraw/zinc/15/38/53/492153853.db2.gz VJWKHUKESRIYEB-JTQLQIEISA-N -1 3 354.388 0.482 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]CC2([S@@](C)=O)CCC2)on1 ZINC000599295936 492156296 /nfs/dbraw/zinc/15/62/96/492156296.db2.gz GVVXRUNESKMSTD-JOCHJYFZSA-N -1 3 364.445 0.572 10 0 FCAEHM CO[C@H](CNC(=O)CC[N-]S(=O)(=O)c1cccs1)[C@@H]1CCOC1 ZINC000617152212 492157772 /nfs/dbraw/zinc/15/77/72/492157772.db2.gz GNZMAFSMQORUTL-VXGBXAGGSA-N -1 3 362.473 0.584 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]CCC2(O)CCOCC2)on1 ZINC000599308605 492158030 /nfs/dbraw/zinc/15/80/30/492158030.db2.gz UZOPHAMVVHKREF-UHFFFAOYSA-N -1 3 362.404 0.202 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CC[C@@H](Cn2ccnn2)C1 ZINC000617265075 492161992 /nfs/dbraw/zinc/16/19/92/492161992.db2.gz VTSODONFCAWDOH-LLVKDONJSA-N -1 3 355.445 0.167 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC[C@H](Cn2ccnn2)C1 ZINC000617265005 492162135 /nfs/dbraw/zinc/16/21/35/492162135.db2.gz UKXMYYCVLIATHR-RYUDHWBXSA-N -1 3 369.472 0.555 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](O)[C@@H]2CCCO2)c(Cl)c1 ZINC000599392492 492167166 /nfs/dbraw/zinc/16/71/66/492167166.db2.gz UOHRSYBIROBIIU-NEPJUHHUSA-N -1 3 363.819 0.945 10 0 FCAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C[C@H](O)[C@H]1CCCO1 ZINC000599391741 492167310 /nfs/dbraw/zinc/16/73/10/492167310.db2.gz LCMIPRTTZRYUTP-IVZWLZJFSA-N -1 3 363.354 0.330 10 0 FCAEHM C[C@H]1C[C@H](NC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)c2ncnn21 ZINC000617428721 492168086 /nfs/dbraw/zinc/16/80/86/492168086.db2.gz WKDITZOASPODFQ-GWCFXTLKSA-N -1 3 354.370 0.906 10 0 FCAEHM CSCC[C@H]([N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C)C(N)=O ZINC000599403532 492168651 /nfs/dbraw/zinc/16/86/51/492168651.db2.gz ANFWYYPTVRIADY-VIFPVBQESA-N -1 3 363.461 0.175 10 0 FCAEHM COC(=O)[C@@H](Cc1cccc(OC)c1)[N-]S(=O)(=O)N1CC[C@H](C)C1 ZINC000599404917 492169178 /nfs/dbraw/zinc/16/91/78/492169178.db2.gz QXCNKINGFZULNG-SWLSCSKDSA-N -1 3 356.444 0.956 10 0 FCAEHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@@H]2COCCN2C)c1 ZINC000599454836 492174869 /nfs/dbraw/zinc/17/48/69/492174869.db2.gz WSWWWXDEUZKFHF-CYBMUJFWSA-N -1 3 360.407 0.611 10 0 FCAEHM CO[C@@H]1CCC[C@@H]([C@@H](CO)NC(=O)CNC(=O)c2cccc([O-])c2)C1 ZINC000617538032 492175234 /nfs/dbraw/zinc/17/52/34/492175234.db2.gz XRLAIJKHOMZRKZ-DAXOMENPSA-N -1 3 350.415 0.804 10 0 FCAEHM Cc1cc(F)cc2c(=O)c(C(=O)NC[C@]3(OCCO)CCOC3)c[n-]c12 ZINC000617709938 492181620 /nfs/dbraw/zinc/18/16/20/492181620.db2.gz BWIBVCTYCMCLKG-GOSISDBHSA-N -1 3 364.373 0.873 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-][C@@H]2CCO[C@@H]2c2nc(C)no2)CCC1 ZINC000599515403 492182823 /nfs/dbraw/zinc/18/28/23/492182823.db2.gz QRELXTDYSMTUCO-MNOVXSKESA-N -1 3 359.404 0.471 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)N1CC[C@H](O)C(F)(F)C1 ZINC000617819070 492193970 /nfs/dbraw/zinc/19/39/70/492193970.db2.gz YWJFILKBNABJSK-LBPRGKRZSA-N -1 3 366.361 0.723 10 0 FCAEHM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000617887965 492202118 /nfs/dbraw/zinc/20/21/18/492202118.db2.gz JILKFQXNSQRUIA-NWDGAFQWSA-N -1 3 355.412 0.648 10 0 FCAEHM COCc1n[n-]c(CNC(=O)c2cc(Br)c(C)n(C)c2=O)n1 ZINC000617934738 492205118 /nfs/dbraw/zinc/20/51/18/492205118.db2.gz FEXHWMWOTATBCS-UHFFFAOYSA-N -1 3 370.207 0.651 10 0 FCAEHM COC(=O)CN(Cc1ccc(F)c(F)c1)C(=O)CC[C@@H]1NC(=O)[N-]C1=O ZINC000609380702 492207476 /nfs/dbraw/zinc/20/74/76/492207476.db2.gz VLSLOBBGMBMPNQ-LBPRGKRZSA-N -1 3 369.324 0.455 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)NCCO[C@H]1CC1(F)F ZINC000618123937 492211124 /nfs/dbraw/zinc/21/11/24/492211124.db2.gz VNYSNHOEEUWDGV-VIFPVBQESA-N -1 3 354.400 0.957 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CCC[C@@H](CCF)C2)cn1C ZINC000618689127 492235821 /nfs/dbraw/zinc/23/58/21/492235821.db2.gz IQWKLAKBDIFCGW-ZDUSSCGKSA-N -1 3 360.455 0.995 10 0 FCAEHM CCOC(=O)c1[n-]c(C)nc1NC(=O)CN1C(=O)N[C@@](C)(CC)C1=O ZINC000610231193 492237103 /nfs/dbraw/zinc/23/71/03/492237103.db2.gz BASTYZPHCCJGGI-HNNXBMFYSA-N -1 3 351.363 0.554 10 0 FCAEHM CCOC(=O)c1nc(C)[n-]c1NC(=O)CN1C(=O)N[C@@](C)(CC)C1=O ZINC000610231193 492237105 /nfs/dbraw/zinc/23/71/05/492237105.db2.gz BASTYZPHCCJGGI-HNNXBMFYSA-N -1 3 351.363 0.554 10 0 FCAEHM COC(=O)Cc1ccccc1NC(=O)C[N-]S(=O)(=O)CCOC(C)C ZINC000610624354 492255240 /nfs/dbraw/zinc/25/52/40/492255240.db2.gz OOGWOYOHGFIYME-UHFFFAOYSA-N -1 3 372.443 0.685 10 0 FCAEHM CCS(=O)(=O)N(C)c1ccc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000619238219 492255942 /nfs/dbraw/zinc/25/59/42/492255942.db2.gz DLDVZCKOMZVQSL-NSHDSACASA-N -1 3 354.388 0.009 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)NC[C@H]2C(C)(C)C2(F)F)cn1C ZINC000619393098 492261604 /nfs/dbraw/zinc/26/16/04/492261604.db2.gz GYEXZMMQAQDGFS-JTQLQIEISA-N -1 3 364.418 0.804 10 0 FCAEHM COC(=O)[C@H](C[C@H]1CCCOC1)NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000600438979 492269986 /nfs/dbraw/zinc/26/99/86/492269986.db2.gz UCIXVWBTCJUKQH-YGRLFVJLSA-N -1 3 360.366 0.658 10 0 FCAEHM COc1ccnc(N2CCN(Cc3nc4c(cnn4C)c(=O)[n-]3)CC2)n1 ZINC000619726821 492277043 /nfs/dbraw/zinc/27/70/43/492277043.db2.gz FNCDHTTUVQRFRM-UHFFFAOYSA-N -1 3 356.390 0.190 10 0 FCAEHM CCN(CC)CCN(CCOC)C(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000647503372 492299108 /nfs/dbraw/zinc/29/91/08/492299108.db2.gz SACDBIVLYDHNLO-UHFFFAOYSA-N -1 3 371.478 0.517 10 0 FCAEHM CO[C@H]1CN(C(=O)CC[N-]S(=O)(=O)c2cccs2)[C@](C)(CO)C1 ZINC000634060530 492316922 /nfs/dbraw/zinc/31/69/22/492316922.db2.gz PFORZFRONMJNAV-RISCZKNCSA-N -1 3 362.473 0.415 10 0 FCAEHM CO[C@H]1CN(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)[C@](C)(CO)C1 ZINC000634067081 492318311 /nfs/dbraw/zinc/31/83/11/492318311.db2.gz MGAJPJHWRPAWGJ-ABAIWWIYSA-N -1 3 360.407 0.809 10 0 FCAEHM CO[C@@H]1CN(C(=O)CCNC(=O)c2ccc(C)cc2[O-])[C@@](C)(CO)C1 ZINC000634070666 492319287 /nfs/dbraw/zinc/31/92/87/492319287.db2.gz QWIJRACDDNPKOF-SCLBCKFNSA-N -1 3 350.415 0.819 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)NCC2(CC(N)=O)CCCCC2)cn1 ZINC000620704916 492324830 /nfs/dbraw/zinc/32/48/30/492324830.db2.gz OEHWXTAKGITDGZ-UHFFFAOYSA-N -1 3 368.459 0.545 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCOc2cc(Br)ccc2C1 ZINC000620707142 492324869 /nfs/dbraw/zinc/32/48/69/492324869.db2.gz CIHCQBDOSXNKHF-UHFFFAOYSA-N -1 3 368.187 0.722 10 0 FCAEHM C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)C[C@@H]1C(=O)[O-] ZINC000647588162 492327521 /nfs/dbraw/zinc/32/75/21/492327521.db2.gz IMDMHFJANSIRLC-RDBSUJKOSA-N -1 3 353.463 0.792 10 0 FCAEHM CCN1CC[C@H]2OCCN(C(=O)c3ccc([N-]S(C)(=O)=O)nc3)[C@H]2C1 ZINC000627532070 492334980 /nfs/dbraw/zinc/33/49/80/492334980.db2.gz TXHLFXLUXPCMED-UONOGXRCSA-N -1 3 368.459 0.388 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC[C@H](c3ccccn3)C2)c1 ZINC000647822178 492366093 /nfs/dbraw/zinc/36/60/93/492366093.db2.gz RISRKSGLIHYGSP-ZDUSSCGKSA-N -1 3 363.443 0.500 10 0 FCAEHM CO[C@@](C)(CO)CNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000655211088 492414481 /nfs/dbraw/zinc/41/44/81/492414481.db2.gz VGCXDUMJFMMKBG-LLVKDONJSA-N -1 3 356.853 0.193 10 0 FCAEHM Cn1ncnc1CCCNC(=O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000627903922 492417271 /nfs/dbraw/zinc/41/72/71/492417271.db2.gz GNUCESYMDRFEFB-UHFFFAOYSA-N -1 3 369.422 0.372 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655295488 492426815 /nfs/dbraw/zinc/42/68/15/492426815.db2.gz CRELPWMAICCPBA-LZWOXQAQSA-N -1 3 359.426 0.274 10 0 FCAEHM CC[C@@H](NC(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1)[C@@H]1CCCCO1 ZINC000655344595 492437156 /nfs/dbraw/zinc/43/71/56/492437156.db2.gz KQXPXGPKFZKHKN-KGLIPLIRSA-N -1 3 372.491 0.861 10 0 FCAEHM C[C@H]1CN(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)CC2(CCCCC2)O1 ZINC000655383366 492439251 /nfs/dbraw/zinc/43/92/51/492439251.db2.gz ORBUGIHJSZHKLK-ZDUSSCGKSA-N -1 3 370.475 0.649 10 0 FCAEHM Cn1cc([C@@H](NC(=O)CNC(=O)c2ccc([O-])cc2)C2(CO)CCC2)cn1 ZINC000622061388 492450820 /nfs/dbraw/zinc/45/08/20/492450820.db2.gz FZBSJUJAPZYATK-QGZVFWFLSA-N -1 3 372.425 0.876 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)N1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000622080737 492451370 /nfs/dbraw/zinc/45/13/70/492451370.db2.gz OQLAQACNOQNIPK-JHJVBQTASA-N -1 3 374.484 0.415 10 0 FCAEHM CS(=O)(=O)[C@@H]1CN(C(=O)c2cc(F)c[n-]c2=O)C[C@H]1C(F)(F)F ZINC000622137111 492458280 /nfs/dbraw/zinc/45/82/80/492458280.db2.gz IZYOHSOMJUYLCL-RKDXNWHRSA-N -1 3 356.297 0.974 10 0 FCAEHM CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622146322 492459245 /nfs/dbraw/zinc/45/92/45/492459245.db2.gz OPJPUVRNFWEAFY-MNOVXSKESA-N -1 3 353.318 0.953 10 0 FCAEHM CO[C@@](C)(CO)C[N-]S(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1 ZINC000655622969 492465576 /nfs/dbraw/zinc/46/55/76/492465576.db2.gz YMOVSJKGMZQICP-TVQRCGJNSA-N -1 3 350.462 0.621 10 0 FCAEHM CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)CNC(=O)c2cccc([O-])c2)C1 ZINC000649147100 492505192 /nfs/dbraw/zinc/50/51/92/492505192.db2.gz GHPCBZRIVFHXIS-HNNXBMFYSA-N -1 3 373.331 0.649 10 0 FCAEHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCS(=O)(=O)[C@H]2CCC[C@@H]21 ZINC000643646981 492514504 /nfs/dbraw/zinc/51/45/04/492514504.db2.gz YCWJAORJBXAQTR-STQMWFEESA-N -1 3 363.395 0.754 10 0 FCAEHM CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656012718 492516563 /nfs/dbraw/zinc/51/65/63/492516563.db2.gz HKYBZHAALGSHML-RFQIPJPRSA-N -1 3 353.463 0.839 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)NC[C@H](O)[C@H]1CCCO1 ZINC000628590768 492526763 /nfs/dbraw/zinc/52/67/63/492526763.db2.gz LAWUHIRHQPFXPZ-DTWKUNHWSA-N -1 3 368.864 0.336 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@@H]1c2ccccc2CN(C)C1=O)[C@@H]1CCOC1 ZINC000623240611 492532459 /nfs/dbraw/zinc/53/24/59/492532459.db2.gz PVPWKHLAAHPYJJ-FVQBIDKESA-N -1 3 368.455 0.671 10 0 FCAEHM COc1cc(C(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)ccc1[O-] ZINC000628723522 492537334 /nfs/dbraw/zinc/53/73/34/492537334.db2.gz DUNNKLSXSOTFGK-LBPRGKRZSA-N -1 3 354.370 0.847 10 0 FCAEHM CC1(F)CN(S(=O)(=O)c2cccc(S(=O)(=O)[N-]CC(F)F)c2)C1 ZINC000656370121 492615390 /nfs/dbraw/zinc/61/53/90/492615390.db2.gz OJEGMCBWUMNRRT-UHFFFAOYSA-N -1 3 372.390 0.963 10 0 FCAEHM CC1(F)CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cncc(F)c2)C1 ZINC000656375330 492616539 /nfs/dbraw/zinc/61/65/39/492616539.db2.gz BKVCJCBGRPHFNO-UHFFFAOYSA-N -1 3 369.415 0.726 10 0 FCAEHM COC1(CS(=O)(=O)[N-]c2ccc3c(c2)n(C)c(=O)n3C)CCOCC1 ZINC000650171252 492618985 /nfs/dbraw/zinc/61/89/85/492618985.db2.gz RADDFCVMEOSCIZ-UHFFFAOYSA-N -1 3 369.443 0.814 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(C(=O)NCCCCN2CCOCC2)cn1 ZINC000624177202 492625595 /nfs/dbraw/zinc/62/55/95/492625595.db2.gz ZRHOXSNGGUXTLQ-UHFFFAOYSA-N -1 3 356.448 0.295 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]c1ccc2n[nH]c(C(N)=O)c2c1)[C@@H]1CCOC1 ZINC000656627089 492639241 /nfs/dbraw/zinc/63/92/41/492639241.db2.gz SBSXKRRFJHIQKB-RNCFNFMXSA-N -1 3 368.415 0.455 10 0 FCAEHM CC(C)CN1CCO[C@@H](CNC(=O)CN2CCCC[C@H]2CC(=O)[O-])C1 ZINC000650506450 492646628 /nfs/dbraw/zinc/64/66/28/492646628.db2.gz MMAKKKZOVOYSNE-HOTGVXAUSA-N -1 3 355.479 0.789 10 0 FCAEHM CC(=O)N1CCc2sc(S(=O)(=O)[N-]CCc3nc(C)no3)cc2C1 ZINC000656888633 492659676 /nfs/dbraw/zinc/65/96/76/492659676.db2.gz VMJZPQNVBQWPHG-UHFFFAOYSA-N -1 3 370.456 0.865 10 0 FCAEHM Cc1ncc([N-]S(=O)(=O)CCCCS(=O)(=O)N[C@@H]2C[C@H]2C)cn1 ZINC000629643765 492661607 /nfs/dbraw/zinc/66/16/07/492661607.db2.gz IPNYWNNXUZQRNR-ZWNOBZJWSA-N -1 3 362.477 0.635 10 0 FCAEHM Cc1noc([C@@H]2OCC[C@@H]2NC(=O)C[N-]S(=O)(=O)c2cccs2)n1 ZINC000629792472 492673317 /nfs/dbraw/zinc/67/33/17/492673317.db2.gz PMRYGIZSXVAXOR-JOYOIKCWSA-N -1 3 372.428 0.364 10 0 FCAEHM CN1CCOC[C@@H]1CNC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000624739656 492678128 /nfs/dbraw/zinc/67/81/28/492678128.db2.gz YAVGSEZMTXOMFM-AWEZNQCLSA-N -1 3 362.430 0.190 10 0 FCAEHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)C[C@H](OC)[C@@H]2CCOC2)[C@@]12CCCO2 ZINC000656959672 492679667 /nfs/dbraw/zinc/67/96/67/492679667.db2.gz VSOLCUYODDOIHR-CWVYHPPDSA-N -1 3 363.476 0.684 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]CC1(S(C)(=O)=O)CCCC1)[C@H]1CCOC1 ZINC000656989603 492687931 /nfs/dbraw/zinc/68/79/31/492687931.db2.gz FIYGCJCOAGLYRW-STQMWFEESA-N -1 3 369.505 0.315 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@](C)(c1noc(C)n1)C1CC1)[C@H]1CCOC1 ZINC000656996183 492689863 /nfs/dbraw/zinc/68/98/63/492689863.db2.gz MPTIGXXKELNWRC-LNSITVRQSA-N -1 3 359.448 0.974 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-][C@H](Cc2ccccc2)C(N)=O)CCOCC1 ZINC000624904666 492696338 /nfs/dbraw/zinc/69/63/38/492696338.db2.gz UEACVGPPROMRHB-OAHLLOKOSA-N -1 3 370.471 0.588 10 0 FCAEHM CC(=O)N1CCc2sc(S(=O)(=O)[N-]CC[C@]3(O)CCOC3)cc2C1 ZINC000657023372 492696782 /nfs/dbraw/zinc/69/67/82/492696782.db2.gz QYMQUQAWXBWGJP-HNNXBMFYSA-N -1 3 374.484 0.473 10 0 FCAEHM O=C1NCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000657032444 492700281 /nfs/dbraw/zinc/70/02/81/492700281.db2.gz YISQOFANDZCNFM-VIFPVBQESA-N -1 3 361.217 0.551 10 0 FCAEHM NC(=O)COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CO)C1CCC1 ZINC000657056537 492705551 /nfs/dbraw/zinc/70/55/51/492705551.db2.gz MNNFVWPIRLKALN-LLVKDONJSA-N -1 3 362.835 0.643 10 0 FCAEHM C[C@@H](C(=O)NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)c1cncnc1 ZINC000629955623 492708878 /nfs/dbraw/zinc/70/88/78/492708878.db2.gz HWALCLDUTXJRRE-ADLMAVQZSA-N -1 3 353.382 0.951 10 0 FCAEHM CO[C@@H]1CCC[C@@H]([C@H](CO)[N-]S(=O)(=O)c2cnn3c2OCCC3)C1 ZINC000657078710 492709912 /nfs/dbraw/zinc/70/99/12/492709912.db2.gz ZUDWNBZIHUEIFR-UPJWGTAASA-N -1 3 359.448 0.510 10 0 FCAEHM CO[C@@H]1CCC[C@@H]([C@@H](CO)[N-]S(=O)(=O)c2cnn3c2OCCC3)C1 ZINC000657078709 492710434 /nfs/dbraw/zinc/71/04/34/492710434.db2.gz ZUDWNBZIHUEIFR-JHJVBQTASA-N -1 3 359.448 0.510 10 0 FCAEHM CCO[C@@H](CS(=O)(=O)[N-]c1cccc(NS(N)(=O)=O)c1)C1CC1 ZINC000625029068 492713041 /nfs/dbraw/zinc/71/30/41/492713041.db2.gz SLKQHNCVABRXTG-ZDUSSCGKSA-N -1 3 363.461 0.859 10 0 FCAEHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@]2(OCCO)CCOC2)c1 ZINC000657086287 492713036 /nfs/dbraw/zinc/71/30/36/492713036.db2.gz KHDDCRJQWWPLTI-AWEZNQCLSA-N -1 3 365.835 0.795 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]C[C@]1(OCCO)CCOC1)C1CCCCC1 ZINC000657090905 492714301 /nfs/dbraw/zinc/71/43/01/492714301.db2.gz QGQXQWGVWCWOIX-HZPDHXFCSA-N -1 3 365.492 0.669 10 0 FCAEHM CCCCN(CCCC)S(=O)(=O)[N-][C@@H]1CS(=O)(=O)C[C@H]1OC ZINC000657098861 492717698 /nfs/dbraw/zinc/71/76/98/492717698.db2.gz DLHRJGBEOWVLQU-CHWSQXEVSA-N -1 3 356.510 0.535 10 0 FCAEHM COc1cc(NC(=O)C[N-]S(=O)(=O)c2c(C)noc2C)cnc1OC ZINC000630022045 492718052 /nfs/dbraw/zinc/71/80/52/492718052.db2.gz MACZEENLHWGPSW-UHFFFAOYSA-N -1 3 370.387 0.621 10 0 FCAEHM CO[C@@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)C[C@H](C)CC(F)(F)F ZINC000657100161 492719242 /nfs/dbraw/zinc/71/92/42/492719242.db2.gz KHOPDDOFCGLXNC-IWSPIJDZSA-N -1 3 353.384 0.306 10 0 FCAEHM CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]C[C@H](C)S(C)(=O)=O ZINC000625087389 492722099 /nfs/dbraw/zinc/72/20/99/492722099.db2.gz VKLCWNOWPMLEGA-FZMZJTMJSA-N -1 3 367.464 0.736 10 0 FCAEHM CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-][C@@H](CO)c1cnn(C)c1 ZINC000625094655 492722691 /nfs/dbraw/zinc/72/26/91/492722691.db2.gz CFPGSYONTVKSPB-HOTGVXAUSA-N -1 3 371.434 0.770 10 0 FCAEHM COCc1nc(C[N-]S(=O)(=O)c2cnccc2C(F)(F)F)n[nH]1 ZINC000657104732 492723097 /nfs/dbraw/zinc/72/30/97/492723097.db2.gz SQOIRLVLXBBPEB-UHFFFAOYSA-N -1 3 351.310 0.843 10 0 FCAEHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]CCO[C@@H]2CC2(F)F)cc1F ZINC000657117069 492723952 /nfs/dbraw/zinc/72/39/52/492723952.db2.gz GRZZNELGJRGHTP-LLVKDONJSA-N -1 3 373.374 0.932 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(CCF)CCOC ZINC000657116411 492724059 /nfs/dbraw/zinc/72/40/59/492724059.db2.gz WWNXVROMRWPNBG-UHFFFAOYSA-N -1 3 354.425 0.201 10 0 FCAEHM CCN1CCO[C@@H](C[N-]S(=O)(=O)c2ccco2)[C@@H]1c1cnn(C)c1 ZINC000657120093 492724788 /nfs/dbraw/zinc/72/47/88/492724788.db2.gz LORZNEMHTLQLMQ-ZFWWWQNUSA-N -1 3 354.432 0.753 10 0 FCAEHM CCOCCOC[C@H](O)C[N-]S(=O)(=O)c1ccc(C)c(F)c1F ZINC000625155199 492731241 /nfs/dbraw/zinc/73/12/41/492731241.db2.gz WMDDLBKSUJEYAV-LLVKDONJSA-N -1 3 353.387 0.966 10 0 FCAEHM CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]C[C@@]1(O)CCO[C@H]1C ZINC000625165690 492732849 /nfs/dbraw/zinc/73/28/49/492732849.db2.gz OYOQEWLGBXNGTP-MAZHCROVSA-N -1 3 361.435 0.843 10 0 FCAEHM COc1ccnc(C[N-]S(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)c1F ZINC000657158911 492734319 /nfs/dbraw/zinc/73/43/19/492734319.db2.gz OYONPGRIMKDZLK-UHFFFAOYSA-N -1 3 370.406 0.748 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000636956749 492737308 /nfs/dbraw/zinc/73/73/08/492737308.db2.gz SSBHYRGIYRZFQW-SWLSCSKDSA-N -1 3 373.500 0.830 10 0 FCAEHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H](O)C23CCC3)cc1F ZINC000657191171 492740701 /nfs/dbraw/zinc/74/07/01/492740701.db2.gz ZLVOOQZSONGFDS-OLZOCXBDSA-N -1 3 363.432 0.811 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-][C@@H](CO)c1ccnn1C)c1ccc(F)cc1 ZINC000625241871 492744143 /nfs/dbraw/zinc/74/41/43/492744143.db2.gz BDDNFYSSTIXHBK-ZFWWWQNUSA-N -1 3 357.407 0.900 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-][C@@H](CO)[C@H]2CCCOC2)CCOCC1 ZINC000625254807 492745839 /nfs/dbraw/zinc/74/58/39/492745839.db2.gz QQGJBNBTEXTCTA-KBPBESRZSA-N -1 3 351.465 0.279 10 0 FCAEHM Cn1cnc(CCC[N-]S(=O)(=O)c2cccnc2OCC(F)F)n1 ZINC000625265024 492747511 /nfs/dbraw/zinc/74/75/11/492747511.db2.gz WKNXBSFGHFGALQ-UHFFFAOYSA-N -1 3 361.374 0.765 10 0 FCAEHM CN1C2(CCC2)COC[C@@]1(CO)C[N-]S(=O)(=O)Cc1ccccc1F ZINC000625376705 492768016 /nfs/dbraw/zinc/76/80/16/492768016.db2.gz NTEZPPXWBPJJGA-KRWDZBQOSA-N -1 3 372.462 0.861 10 0 FCAEHM O=C(CCc1nnn[n-]1)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000630723849 492769354 /nfs/dbraw/zinc/76/93/54/492769354.db2.gz XZHKWUMJOBJZKS-UHFFFAOYSA-N -1 3 357.462 0.456 10 0 FCAEHM O=C(CCc1nn[n-]n1)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000630723849 492769358 /nfs/dbraw/zinc/76/93/58/492769358.db2.gz XZHKWUMJOBJZKS-UHFFFAOYSA-N -1 3 357.462 0.456 10 0 FCAEHM CC(=O)N1CCc2sc(S(=O)(=O)[N-]C[C@H](O)[C@@H]3CCCO3)cc2C1 ZINC000625384888 492770792 /nfs/dbraw/zinc/77/07/92/492770792.db2.gz YLJHYIUGLGDOHR-STQMWFEESA-N -1 3 374.484 0.471 10 0 FCAEHM CN1CCOC[C@H]1CNS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000625517428 492808076 /nfs/dbraw/zinc/80/80/76/492808076.db2.gz NOSJMCWJNCHJOD-SECBINFHSA-N -1 3 372.838 0.129 10 0 FCAEHM CN1CCOC[C@H]1CNS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000625517428 492808082 /nfs/dbraw/zinc/80/80/82/492808082.db2.gz NOSJMCWJNCHJOD-SECBINFHSA-N -1 3 372.838 0.129 10 0 FCAEHM O=C(Nc1cc(C(F)F)ccc1F)C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000651730149 492814758 /nfs/dbraw/zinc/81/47/58/492814758.db2.gz BBOQWUIBDSMKQF-JTQLQIEISA-N -1 3 370.287 0.464 10 0 FCAEHM CCc1ccncc1NC(=O)C(=O)N1CCC[C@H]1C[C@]1(C)NC(=O)[N-]C1=O ZINC000651791042 492823188 /nfs/dbraw/zinc/82/31/88/492823188.db2.gz VOVBNXNQILYZKV-SGTLLEGYSA-N -1 3 373.413 0.562 10 0 FCAEHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]CC[C@]2(O)CCOC2)s1 ZINC000651839068 492831418 /nfs/dbraw/zinc/83/14/18/492831418.db2.gz SZXFMPSLBMZORR-AWEZNQCLSA-N -1 3 362.473 0.247 10 0 FCAEHM O=C1CCc2cc(S(=O)(=O)[N-]CC[C@@]3(O)CCOC3)c(F)cc2N1 ZINC000651839184 492831757 /nfs/dbraw/zinc/83/17/57/492831757.db2.gz XKEIWMYCNGEDHF-OAHLLOKOSA-N -1 3 358.391 0.530 10 0 FCAEHM CCN([C@H]1CCCOC1)S(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000651843948 492832173 /nfs/dbraw/zinc/83/21/73/492832173.db2.gz VHVDBVICKRJYBR-JTQLQIEISA-N -1 3 368.415 0.224 10 0 FCAEHM CCN([C@@H]1CCCOC1)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C ZINC000651845104 492833207 /nfs/dbraw/zinc/83/32/07/492833207.db2.gz CUXJFDIQCHMPQR-GFCCVEGCSA-N -1 3 362.473 0.784 10 0 FCAEHM C[C@@H]1OCC[C@H]1S(=O)(=O)[N-]CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000625617965 492841049 /nfs/dbraw/zinc/84/10/49/492841049.db2.gz QOKILXXQWGLKOF-IINYFYTJSA-N -1 3 356.400 0.493 10 0 FCAEHM O=c1[nH]cc(S(=O)(=O)[N-]CCN2CCN(c3ccccc3)CC2)s1 ZINC000631724598 492841568 /nfs/dbraw/zinc/84/15/68/492841568.db2.gz UBEKKFUAHTUDNQ-UHFFFAOYSA-N -1 3 368.484 0.949 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCN(C(=O)C2(N3CCOCC3)CC2)CC1 ZINC000631798531 492855413 /nfs/dbraw/zinc/85/54/13/492855413.db2.gz UWPRHVAPCCBVJJ-UHFFFAOYSA-N -1 3 359.426 0.541 10 0 FCAEHM CN1CCO[C@H](CS(=O)(=O)[N-]Cc2noc(-c3ccccc3)n2)C1 ZINC000631812424 492856461 /nfs/dbraw/zinc/85/64/61/492856461.db2.gz IYOHPTRMVGJPNS-ZDUSSCGKSA-N -1 3 352.416 0.487 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)[C@@H]2CN(C)C(=O)c3ccccc32)nc1=N ZINC000651976966 492857090 /nfs/dbraw/zinc/85/70/90/492857090.db2.gz MRYMAVGYDKZCFF-ZIAGYGMSSA-N -1 3 354.414 0.761 10 0 FCAEHM Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1 ZINC000651979893 492857360 /nfs/dbraw/zinc/85/73/60/492857360.db2.gz PDBAUNYMMALBPW-LBPRGKRZSA-N -1 3 364.431 0.161 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-][C@H]2CCN(C3CCC3)C2=O)CCOCC1 ZINC000625691537 492862345 /nfs/dbraw/zinc/86/23/45/492862345.db2.gz MBVIXIUMFQFYAB-AWEZNQCLSA-N -1 3 360.476 0.645 10 0 FCAEHM CN1C[C@H]([N-]S(=O)(=O)Cc2ncsc2Br)CC1=O ZINC000631871223 492866307 /nfs/dbraw/zinc/86/63/07/492866307.db2.gz HKTNGCCPTBNMFU-ZCFIWIBFSA-N -1 3 354.251 0.556 10 0 FCAEHM Cc1nc(C[N-]S(=O)(=O)C[C@H]2CN(C)CCO2)nc2ccccc12 ZINC000631882360 492868982 /nfs/dbraw/zinc/86/89/82/492868982.db2.gz YUQCKULQRVHJAR-CYBMUJFWSA-N -1 3 350.444 0.688 10 0 FCAEHM C[C@H](CN1CCN(C)CC1)[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000631916452 492881983 /nfs/dbraw/zinc/88/19/83/492881983.db2.gz YZZUJQLJGDXDEU-SNVBAGLBSA-N -1 3 369.413 0.353 10 0 FCAEHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)C[C@H]2CNCCO2)C(=O)N1c1ccccc1 ZINC000631924263 492886796 /nfs/dbraw/zinc/88/67/96/492886796.db2.gz QRKJUVAXCBXNFL-BPLDGKMQSA-N -1 3 353.444 0.088 10 0 FCAEHM Cn1[n-]c(CN[C@]2(CO)CCc3cc(Br)ccc3C2)nc1=O ZINC000625796914 492888924 /nfs/dbraw/zinc/88/89/24/492888924.db2.gz NMDCISMGJNZTJF-OAHLLOKOSA-N -1 3 367.247 0.881 10 0 FCAEHM CN(C)C(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)CC1(N(C)C)CC1 ZINC000631930671 492889888 /nfs/dbraw/zinc/88/98/88/492889888.db2.gz ULDNIGJNPLLJHM-OAHLLOKOSA-N -1 3 353.488 0.700 10 0 FCAEHM CCN1C[C@H](S(=O)(=O)[N-][C@H](Cc2ccccc2)C(=O)N(C)C)CC1=O ZINC000631930294 492890300 /nfs/dbraw/zinc/89/03/00/492890300.db2.gz CRPDXGDQMAPWEX-HUUCEWRRSA-N -1 3 367.471 0.226 10 0 FCAEHM COc1ccc([C@@H]2CCNC[C@@H]2NS(=O)(=O)c2ncc[n-]2)cc1F ZINC000631950892 492896557 /nfs/dbraw/zinc/89/65/57/492896557.db2.gz SWBRHQACBBBUMR-AAEUAGOBSA-N -1 3 354.407 0.981 10 0 FCAEHM O=S(=O)(C[C@@H]1CNCCO1)[N-]C[C@@H](OC1CCCC1)C(F)(F)F ZINC000631950682 492897188 /nfs/dbraw/zinc/89/71/88/492897188.db2.gz NSMRNIBUEDDPBD-NWDGAFQWSA-N -1 3 360.398 0.784 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]CCOC[C@@H]1CCCO1 ZINC000631975705 492901696 /nfs/dbraw/zinc/90/16/96/492901696.db2.gz JEAMGDLAEJMIGC-VIFPVBQESA-N -1 3 357.354 0.913 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@@H](C(N)=O)c1ccccc1)C1CCOCC1 ZINC000645448408 492906854 /nfs/dbraw/zinc/90/68/54/492906854.db2.gz CXVOFUBDLXSHCQ-HUUCEWRRSA-N -1 3 356.444 0.574 10 0 FCAEHM Cn1cnnc1S(=O)(=O)[N-]CC1CCN(C(=O)c2ccccc2)CC1 ZINC000631999043 492906919 /nfs/dbraw/zinc/90/69/19/492906919.db2.gz RXIMLRADUFKYIH-UHFFFAOYSA-N -1 3 363.443 0.646 10 0 FCAEHM CN1CCO[C@@H](CS(=O)(=O)[N-][C@H](CO)c2cc(F)ccc2F)C1 ZINC000632004280 492907919 /nfs/dbraw/zinc/90/79/19/492907919.db2.gz FEMCNZBYLNKQPJ-BXUZGUMPSA-N -1 3 350.387 0.248 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]CCCN1CCC(O)CC1 ZINC000632002416 492908347 /nfs/dbraw/zinc/90/83/47/492908347.db2.gz UXXQSIAAWBBKSZ-UHFFFAOYSA-N -1 3 370.397 0.564 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]C[C@H](O)COCC1CC1 ZINC000632005840 492909254 /nfs/dbraw/zinc/90/92/54/492909254.db2.gz GPKYGDYTYXHKKR-VIFPVBQESA-N -1 3 357.354 0.505 10 0 FCAEHM COCCCN(C)CC[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000632032278 492915456 /nfs/dbraw/zinc/91/54/56/492915456.db2.gz PXOJCMOCTDMMIH-UHFFFAOYSA-N -1 3 358.386 0.686 10 0 FCAEHM NC(=O)c1ccccc1N1CC[C@@H]([N-]S(=O)(=O)c2cscn2)C1 ZINC000645532350 492921132 /nfs/dbraw/zinc/92/11/32/492921132.db2.gz UKSZYZFAXPVDCN-SNVBAGLBSA-N -1 3 352.441 0.799 10 0 FCAEHM O=C(c1cn2c(n1)COCC2)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000626052363 492922775 /nfs/dbraw/zinc/92/27/75/492922775.db2.gz WDFUHOLFFSOEBC-UHFFFAOYSA-N -1 3 356.382 0.717 10 0 FCAEHM C[C@H](CO[C@H]1CCOC1)[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000632087114 492926352 /nfs/dbraw/zinc/92/63/52/492926352.db2.gz YBPCHFUTGRUENU-BDAKNGLRSA-N -1 3 357.354 0.911 10 0 FCAEHM CCC(=O)N1CC[C@H]([N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)C1 ZINC000632104303 492930120 /nfs/dbraw/zinc/93/01/20/492930120.db2.gz FATMRXQAFDAXFP-QMMMGPOBSA-N -1 3 354.354 0.728 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]C[C@H]1CCCS1(=O)=O ZINC000632113278 492932286 /nfs/dbraw/zinc/93/22/86/492932286.db2.gz WQJIZKOWCINCFQ-SSDOTTSWSA-N -1 3 361.367 0.294 10 0 FCAEHM CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cc([O-])cc(F)c2)CC1 ZINC000632112807 492932797 /nfs/dbraw/zinc/93/27/97/492932797.db2.gz JCJCDJXYTYPQPQ-OAHLLOKOSA-N -1 3 371.434 0.458 10 0 FCAEHM Cn1cnnc1S(=O)(=O)[N-][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000632161147 492941551 /nfs/dbraw/zinc/94/15/51/492941551.db2.gz SITSLJWLDLICFP-CHWSQXEVSA-N -1 3 357.386 0.817 10 0 FCAEHM COc1ccc(COCC(=O)NCCNC(=O)c2ccc([O-])cc2)cn1 ZINC000626191629 492945382 /nfs/dbraw/zinc/94/53/82/492945382.db2.gz VOEHKCJKLNVNCS-UHFFFAOYSA-N -1 3 359.382 0.859 10 0 FCAEHM CCN1C[C@H](S(=O)(=O)[N-][C@@H]2CCCN(c3cccnc3)C2=O)CC1=O ZINC000632203732 492950505 /nfs/dbraw/zinc/95/05/05/492950505.db2.gz VTEOLQYRAKCFAK-ZIAGYGMSSA-N -1 3 366.443 0.117 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]C[C@H](C)S(C)(=O)=O)coc1C(=O)N(C)C ZINC000645628524 492950758 /nfs/dbraw/zinc/95/07/58/492950758.db2.gz XAWYHMGGLJKJEB-QMMMGPOBSA-N -1 3 352.434 0.001 10 0 FCAEHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)[C@@H]2CC(=O)N(C3CC3)C2)[C@@]12CCCO2 ZINC000632211499 492951347 /nfs/dbraw/zinc/95/13/47/492951347.db2.gz OODGSACWUMFTPU-CTASWTNQSA-N -1 3 358.460 0.396 10 0 FCAEHM CNC(=O)[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000645635097 492951723 /nfs/dbraw/zinc/95/17/23/492951723.db2.gz IXLKKYFICJXYRC-GHMZBOCLSA-N -1 3 357.432 0.483 10 0 FCAEHM Cc1nocc1S(=O)(=O)[N-]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000632217030 492952693 /nfs/dbraw/zinc/95/26/93/492952693.db2.gz RFQHSKMVKWURMS-UHFFFAOYSA-N -1 3 356.379 0.832 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-][C@H]1CCCN(Cc2nccn2C)C1=O)C(C)C ZINC000645647442 492953461 /nfs/dbraw/zinc/95/34/61/492953461.db2.gz MCWXGIJRPPNFJV-KBPBESRZSA-N -1 3 372.491 0.502 10 0 FCAEHM CCO[C@@H]1COCC[C@H]1[N-]S(=O)(=O)C[C@H](OC)C1CCOCC1 ZINC000645651017 492955011 /nfs/dbraw/zinc/95/50/11/492955011.db2.gz SYKXBFUSEBLDET-KFWWJZLASA-N -1 3 351.465 0.541 10 0 FCAEHM COCCO[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)CC1(OC)CCCC1 ZINC000632238058 492955333 /nfs/dbraw/zinc/95/53/33/492955333.db2.gz VHVPLVDZWHBWOI-UONOGXRCSA-N -1 3 351.465 0.686 10 0 FCAEHM CCN1C[C@H](S(=O)(=O)[N-]C2(C(=O)Nc3ccccc3)CC2)CC1=O ZINC000632245176 492956872 /nfs/dbraw/zinc/95/68/72/492956872.db2.gz SIQKFTUHTBEPSZ-CYBMUJFWSA-N -1 3 351.428 0.698 10 0 FCAEHM CS(=O)(=O)c1cccnc1C[N-]S(=O)(=O)CCOCC1CCC1 ZINC000645687646 492960071 /nfs/dbraw/zinc/96/00/71/492960071.db2.gz HTLAKBQUKTUQDH-UHFFFAOYSA-N -1 3 362.473 0.721 10 0 FCAEHM COCC[C@]1([N-]S(=O)(=O)c2coc(C(=O)N(C)C)c2C)CCOC1 ZINC000645686396 492960103 /nfs/dbraw/zinc/96/01/03/492960103.db2.gz UXWPCEKYKBZVPZ-HNNXBMFYSA-N -1 3 360.432 0.764 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@H](CO)C2CCOCC2)coc1C(=O)N(C)C ZINC000645690875 492960886 /nfs/dbraw/zinc/96/08/86/492960886.db2.gz YKDZJZWCMWUMMK-GFCCVEGCSA-N -1 3 360.432 0.356 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)Cc1ncsc1Br)C(=O)N(C)C ZINC000632271110 492961717 /nfs/dbraw/zinc/96/17/17/492961717.db2.gz JVQMDDHRBXAXCU-LURJTMIESA-N -1 3 356.267 0.802 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CCC2(O)CCOCC2)coc1C(=O)N(C)C ZINC000645708325 492964198 /nfs/dbraw/zinc/96/41/98/492964198.db2.gz CEOAORVSFSSWMW-UHFFFAOYSA-N -1 3 360.432 0.500 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@@H](C)C1(S(C)(=O)=O)CC1)C1CCOCC1 ZINC000645711493 492965043 /nfs/dbraw/zinc/96/50/43/492965043.db2.gz VCFRQVWMOWQUEY-WCQYABFASA-N -1 3 369.505 0.313 10 0 FCAEHM C[C@]1(C[C@@H]2CCCN2S(=O)(=O)CCC[C@@H]2CCOC2)NC(=O)[N-]C1=O ZINC000645714210 492965149 /nfs/dbraw/zinc/96/51/49/492965149.db2.gz ZYKQWCUBHPXJMB-DVOMOZLQSA-N -1 3 373.475 0.586 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]C[C@@H](CO)c2cccnc2)coc1C(=O)N(C)C ZINC000645716251 492965786 /nfs/dbraw/zinc/96/57/86/492965786.db2.gz SHTPMMXGDYCGDM-ZDUSSCGKSA-N -1 3 367.427 0.739 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-][C@H](CO)C1CCOCC1 ZINC000632299902 492968356 /nfs/dbraw/zinc/96/83/56/492968356.db2.gz ZQLVOPBRHBJIIZ-SNVBAGLBSA-N -1 3 357.354 0.505 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]Cc2nnc(C3CC3)[nH]2)coc1C(=O)N(C)C ZINC000645742656 492968381 /nfs/dbraw/zinc/96/83/81/492968381.db2.gz QAPMCRJYEUVQNU-UHFFFAOYSA-N -1 3 353.404 0.764 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-][C@@H](CO)C1CCOCC1 ZINC000632299901 492968623 /nfs/dbraw/zinc/96/86/23/492968623.db2.gz ZQLVOPBRHBJIIZ-JTQLQIEISA-N -1 3 357.354 0.505 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CC(C)(C)[C@@]2(O)CCOC2)coc1C(=O)N(C)C ZINC000645839010 492982352 /nfs/dbraw/zinc/98/23/52/492982352.db2.gz YHXDWDNKLMJZCH-MRXNPFEDSA-N -1 3 374.459 0.746 10 0 FCAEHM CO[C@@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000632406781 492991442 /nfs/dbraw/zinc/99/14/42/492991442.db2.gz VMKXFDYPYDSODO-PSASIEDQSA-N -1 3 357.354 0.769 10 0 FCAEHM CCN1C[C@H](S(=O)(=O)[N-][C@@H]2CCN(c3ccc(F)cc3)C2=O)CC1=O ZINC000632457930 493001984 /nfs/dbraw/zinc/00/19/84/493001984.db2.gz RMRMWUSIKOJYEF-ZIAGYGMSSA-N -1 3 369.418 0.471 10 0 FCAEHM Cn1cc(C[C@@H](CO)[N-]S(=O)(=O)c2cccnc2C(F)(F)F)cn1 ZINC000632471411 493004672 /nfs/dbraw/zinc/00/46/72/493004672.db2.gz IDJBKGZWAXZOTR-JTQLQIEISA-N -1 3 364.349 0.716 10 0 FCAEHM CCn1cc(S(=O)(=O)[N-][C@H]2C[C@H](N3CCOCC3)C2(C)C)nc1C ZINC000632501488 493015167 /nfs/dbraw/zinc/01/51/67/493015167.db2.gz NEIKVRKHYNEXNN-KBPBESRZSA-N -1 3 356.492 0.989 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N[C@@H](C2CC2)C2CCOCC2)c1 ZINC000652769908 493016709 /nfs/dbraw/zinc/01/67/09/493016709.db2.gz QNARUGBCPXGDIV-HNNXBMFYSA-N -1 3 356.448 0.020 10 0 FCAEHM CN1CCC[C@H]1CNC(=O)N[C@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC000626769091 493016871 /nfs/dbraw/zinc/01/68/71/493016871.db2.gz XFWVWBOXVGZOBY-JYJNAYRXSA-N -1 3 374.441 0.807 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2c(C(=O)NCC[C@]3(O)CCOC3)cc(C3CC3)nc21 ZINC000652809621 493022154 /nfs/dbraw/zinc/02/21/54/493022154.db2.gz KNNDJCGICCFQND-SFHVURJKSA-N -1 3 374.397 0.183 10 0 FCAEHM C[C@@H]1CN(CC[N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)[C@@H](C)CO1 ZINC000632550426 493026834 /nfs/dbraw/zinc/02/68/34/493026834.db2.gz YBBBJMAIXGGBJD-VHSXEESVSA-N -1 3 370.397 0.826 10 0 FCAEHM CCN1C[C@H](S(=O)(=O)[N-]C[C@@H](n2cccn2)C(F)(F)F)CC1=O ZINC000632589274 493038433 /nfs/dbraw/zinc/03/84/33/493038433.db2.gz JSZROVAWTJGHRF-NXEZZACHSA-N -1 3 354.354 0.527 10 0 FCAEHM COC1(CS(=O)(=O)[N-]C(c2nccn2C)c2nccn2C)CCC1 ZINC000632592465 493039811 /nfs/dbraw/zinc/03/98/11/493039811.db2.gz GNRGUKKQNMZQFV-UHFFFAOYSA-N -1 3 353.448 0.732 10 0 FCAEHM CCN1C[C@H](S(=O)(=O)[N-][C@@H]2c3ccccc3CN(C)C2=O)CC1=O ZINC000632595776 493041217 /nfs/dbraw/zinc/04/12/17/493041217.db2.gz UWTDZSWAXWBGHT-IUODEOHRSA-N -1 3 351.428 0.240 10 0 FCAEHM CCN1C[C@@H](S(=O)(=O)[N-][C@H]2c3ccccc3CN(C)C2=O)CC1=O ZINC000632595778 493041244 /nfs/dbraw/zinc/04/12/44/493041244.db2.gz UWTDZSWAXWBGHT-WFASDCNBSA-N -1 3 351.428 0.240 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CC(CN2CCOCC2)C1 ZINC000646358752 493044101 /nfs/dbraw/zinc/04/41/01/493044101.db2.gz ZJZAHSNGZUZZQG-QGZVFWFLSA-N -1 3 373.453 0.787 10 0 FCAEHM CCOc1ccncc1S(=O)(=O)[N-][C@H]1CCN(C2CCOCC2)C1=O ZINC000632627850 493051321 /nfs/dbraw/zinc/05/13/21/493051321.db2.gz LZOWFHBYJVASQU-ZDUSSCGKSA-N -1 3 369.443 0.539 10 0 FCAEHM Cc1ccc(NC(=O)C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)c(Cl)c1C ZINC000646627035 493072055 /nfs/dbraw/zinc/07/20/55/493072055.db2.gz PKFONQZLVDZVQD-LLVKDONJSA-N -1 3 364.789 0.658 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)Cc1ccns1 ZINC000632723897 493077685 /nfs/dbraw/zinc/07/76/85/493077685.db2.gz PCBWMMZIEXAUJZ-UHFFFAOYSA-N -1 3 361.470 0.872 10 0 FCAEHM COc1ccc(NC(=O)N2CC[C@@H](F)[C@H](N)C2)cc1[N-]S(C)(=O)=O ZINC000658996555 493122400 /nfs/dbraw/zinc/12/24/00/493122400.db2.gz LKXNHBSTGJQSES-GHMZBOCLSA-N -1 3 360.411 0.970 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000646918997 493126342 /nfs/dbraw/zinc/12/63/42/493126342.db2.gz CGUIBKNYTBMXPC-HOCLYGCPSA-N -1 3 353.426 0.845 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]c1ccc(CC(N)=O)cc1)C1CCOCC1 ZINC000647124208 493168531 /nfs/dbraw/zinc/16/85/31/493168531.db2.gz VCURROFOSUBZAE-OAHLLOKOSA-N -1 3 356.444 0.898 10 0 FCAEHM Cc1cccc2cc(S(=O)(=O)[N-]CC(=O)N3CCNCC3)sc21 ZINC000647198305 493176110 /nfs/dbraw/zinc/17/61/10/493176110.db2.gz WDBQECCCUFHWGF-UHFFFAOYSA-N -1 3 353.469 0.920 10 0 FCAEHM O=C(Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1)N1CCn2nncc2C1 ZINC000654027118 493203851 /nfs/dbraw/zinc/20/38/51/493203851.db2.gz KCZWTCCFNQTGHZ-ZDUSSCGKSA-N -1 3 355.358 0.076 10 0 FCAEHM NCc1cc(=O)[n-]c(CNC(=O)NC[C@H]2CSc3ccccc3O2)n1 ZINC000659557473 493212828 /nfs/dbraw/zinc/21/28/28/493212828.db2.gz YHTHYPOSQZJPFU-NSHDSACASA-N -1 3 361.427 0.993 10 0 FCAEHM O=C([O-])C1(CNC(=O)C(=O)N[C@H]2CCN(C3CCCCC3)C2)CCC1 ZINC000659663665 493238763 /nfs/dbraw/zinc/23/87/63/493238763.db2.gz IEFDLJNVXJRYOD-ZDUSSCGKSA-N -1 3 351.447 0.881 10 0 FCAEHM Cc1ccc(OCCN(C)C(=O)C(=O)NCc2nc(CN)cc(=O)[n-]2)cc1 ZINC000659748453 493284440 /nfs/dbraw/zinc/28/44/40/493284440.db2.gz JHYZTFVFVYGOGK-UHFFFAOYSA-N -1 3 373.413 0.103 10 0 FCAEHM NCc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCCC[C@@H]2CC2CCC2)n1 ZINC000659747881 493284505 /nfs/dbraw/zinc/28/45/05/493284505.db2.gz LDFLWPSKPOAVKA-CQSZACIVSA-N -1 3 361.446 0.828 10 0 FCAEHM CO[C@H](C(=O)NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)[C@@H]1CCOC1 ZINC000667893984 493307158 /nfs/dbraw/zinc/30/71/58/493307158.db2.gz FHVZTMVESMHZKV-IAISJRAMSA-N -1 3 361.398 0.409 10 0 FCAEHM Cn1cc(CCC(=O)NCc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)nn1 ZINC000667894738 493307679 /nfs/dbraw/zinc/30/76/79/493307679.db2.gz ARDADNDUYJYYBQ-KRWDZBQOSA-N -1 3 356.386 0.119 10 0 FCAEHM CS(=O)(=O)CCCS(=O)(=O)[N-][C@H](CO)c1ccc(F)cc1F ZINC000660100306 493324981 /nfs/dbraw/zinc/32/49/81/493324981.db2.gz LKNFDJDAJMROEW-GFCCVEGCSA-N -1 3 357.400 0.352 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCC2(CN(C)C2)C1 ZINC000683908563 493378416 /nfs/dbraw/zinc/37/84/16/493378416.db2.gz VBGLWFNPUXASEB-LBPRGKRZSA-N -1 3 355.435 0.657 10 0 FCAEHM Cc1cc2cccnc2c(S(=O)(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000683952852 493381660 /nfs/dbraw/zinc/38/16/60/493381660.db2.gz KFIIZROGHXHVQX-KRWDZBQOSA-N -1 3 374.422 0.906 10 0 FCAEHM CN(C)c1cccc(S(=O)(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000683953644 493381795 /nfs/dbraw/zinc/38/17/95/493381795.db2.gz ZDVWOYGJIAIEGM-HNNXBMFYSA-N -1 3 352.416 0.115 10 0 FCAEHM CN1CN(C(=O)C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)CC1=O ZINC000685814291 493517019 /nfs/dbraw/zinc/51/70/19/493517019.db2.gz NZJJWHRCFDYRNW-UHFFFAOYSA-N -1 3 365.333 0.242 10 0 FCAEHM CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000669752899 493524734 /nfs/dbraw/zinc/52/47/34/493524734.db2.gz JZDYNYNBRZLMJP-LDYMZIIASA-N -1 3 355.395 0.545 10 0 FCAEHM CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000669752899 493524736 /nfs/dbraw/zinc/52/47/36/493524736.db2.gz JZDYNYNBRZLMJP-LDYMZIIASA-N -1 3 355.395 0.545 10 0 FCAEHM CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000669752899 493524738 /nfs/dbraw/zinc/52/47/38/493524738.db2.gz JZDYNYNBRZLMJP-LDYMZIIASA-N -1 3 355.395 0.545 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)c1ccnnc1 ZINC000669929398 493535525 /nfs/dbraw/zinc/53/55/25/493535525.db2.gz PMXDPSHFRFNMOG-UHFFFAOYSA-N -1 3 358.782 0.977 10 0 FCAEHM CCN1CC[C@@H](NC(=O)Nc2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)C1=O ZINC000669978298 493537693 /nfs/dbraw/zinc/53/76/93/493537693.db2.gz UFPAWQRGZIXTDF-OLZOCXBDSA-N -1 3 359.386 0.179 10 0 FCAEHM CCN1CC[C@H](NS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1=O ZINC000669983901 493538739 /nfs/dbraw/zinc/53/87/39/493538739.db2.gz HIXDRBXDJPTQSA-NSHDSACASA-N -1 3 370.822 0.419 10 0 FCAEHM CCN1CC[C@H](NS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1=O ZINC000669983901 493538743 /nfs/dbraw/zinc/53/87/43/493538743.db2.gz HIXDRBXDJPTQSA-NSHDSACASA-N -1 3 370.822 0.419 10 0 FCAEHM CCN1CC[C@H](NC(=O)NCc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)C1=O ZINC000670119181 493547127 /nfs/dbraw/zinc/54/71/27/493547127.db2.gz HHFVIDQZZYIVNY-UGSOOPFHSA-N -1 3 373.413 0.161 10 0 FCAEHM CCN1CC[C@H](NC(=O)CC[N-]S(=O)(=O)c2ccccc2F)C1=O ZINC000670169165 493549615 /nfs/dbraw/zinc/54/96/15/493549615.db2.gz AVJNCUXIVIYCAB-LBPRGKRZSA-N -1 3 357.407 0.231 10 0 FCAEHM CCN1CC[C@@H](NC(=O)c2cc(C3CC3)nc3c2c(=O)[n-]c(=O)n3C)C1=O ZINC000670172025 493549860 /nfs/dbraw/zinc/54/98/60/493549860.db2.gz ZUGMAELMROGUGQ-LLVKDONJSA-N -1 3 371.397 0.262 10 0 FCAEHM CCCN(CCN(CC)CC)C(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662908808 493551667 /nfs/dbraw/zinc/55/16/67/493551667.db2.gz IWVAOKZSCWTUHR-RDTXWAMCSA-N -1 3 369.462 0.126 10 0 FCAEHM O=c1[n-]c(C2CCN(C[C@@H](O)COc3ccc4c(c3)OCO4)CC2)n[nH]1 ZINC000676634782 493563719 /nfs/dbraw/zinc/56/37/19/493563719.db2.gz PBJJTEBQUXWPIK-GFCCVEGCSA-N -1 3 362.386 0.858 10 0 FCAEHM Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663253929 493581013 /nfs/dbraw/zinc/58/10/13/493581013.db2.gz CUJFNKZTZZJMDM-AWEZNQCLSA-N -1 3 372.491 0.841 10 0 FCAEHM CN(C)[C@@]1(CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CCSC1 ZINC000663622005 493605749 /nfs/dbraw/zinc/60/57/49/493605749.db2.gz TZJHDQYWOXTDJM-MLGOLLRUSA-N -1 3 357.476 0.157 10 0 FCAEHM O=C([O-])[C@H](CNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1)C1CCC1 ZINC000663636072 493608330 /nfs/dbraw/zinc/60/83/30/493608330.db2.gz VMTCXKITPUBMLU-LSDHHAIUSA-N -1 3 351.447 0.690 10 0 FCAEHM COc1cc(C(=O)NCCCN2CCCS2(=O)=O)cc(OC)c1[O-] ZINC000677878198 493620811 /nfs/dbraw/zinc/62/08/11/493620811.db2.gz FKZPATQXNWJBNK-UHFFFAOYSA-N -1 3 358.416 0.565 10 0 FCAEHM C[C@@]12COC[C@@H]1CN(C(=O)NCc1ccc([C@@]3(C)NC(=O)[N-]C3=O)cc1)C2 ZINC000663918814 493625156 /nfs/dbraw/zinc/62/51/56/493625156.db2.gz FLTJOTWRAPRCJT-GDIGMMSISA-N -1 3 372.425 0.919 10 0 FCAEHM Cn1nnnc1CC[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000678491790 493646067 /nfs/dbraw/zinc/64/60/67/493646067.db2.gz BVNDNRYVMFHLON-UHFFFAOYSA-N -1 3 352.239 0.555 10 0 FCAEHM CCS(=O)(=O)C1(CNC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)CC1 ZINC000664434234 493659595 /nfs/dbraw/zinc/65/95/95/493659595.db2.gz RPLZVXMQCFTDSU-UHFFFAOYSA-N -1 3 351.384 0.659 10 0 FCAEHM C[C@H]1CCN(S(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)C[C@H]1F ZINC000679203172 493672073 /nfs/dbraw/zinc/67/20/73/493672073.db2.gz ZZIPYMAGQNAZQV-GZMMTYOYSA-N -1 3 356.379 0.403 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)N2CC3CC2(C)C3)ccc1F ZINC000664705957 493678545 /nfs/dbraw/zinc/67/85/45/493678545.db2.gz KKECOLMALQKHKZ-UHFFFAOYSA-N -1 3 355.391 0.683 10 0 FCAEHM CN1CCN(c2ccc(-c3noc([C@H]4CCS(=O)(=O)[N-]4)n3)nc2)CC1 ZINC000664944177 493691129 /nfs/dbraw/zinc/69/11/29/493691129.db2.gz YSCSHKZGWQQCNX-CYBMUJFWSA-N -1 3 364.431 0.248 10 0 FCAEHM CCN(CC)CC(=O)N1CCN(C(=O)NC[C@H](C(=O)[O-])C2CCC2)CC1 ZINC000665326750 493710088 /nfs/dbraw/zinc/71/00/88/493710088.db2.gz FFOCXWIBXXAAFH-HNNXBMFYSA-N -1 3 368.478 0.683 10 0 FCAEHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCc2cn(C)nn2)c1 ZINC000680457099 493718053 /nfs/dbraw/zinc/71/80/53/493718053.db2.gz FQBZPIJJFQQWLQ-UHFFFAOYSA-N -1 3 356.342 0.999 10 0 FCAEHM COc1ccc(OC)c([C@H](C)NC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)c1 ZINC000680603382 493725659 /nfs/dbraw/zinc/72/56/59/493725659.db2.gz LNTBRZWDDFFZQP-GXFFZTMASA-N -1 3 362.386 0.710 10 0 FCAEHM C[C@@H](NC(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1)c1ccc(-n2cncn2)cc1 ZINC000680603724 493725684 /nfs/dbraw/zinc/72/56/84/493725684.db2.gz PMYVKVOYKBRBKD-BXUZGUMPSA-N -1 3 369.385 0.274 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@H](CO)[C@@H]1CCCOC1 ZINC000665654052 493729289 /nfs/dbraw/zinc/72/92/89/493729289.db2.gz INRKDAGBJDZHCG-OUCADQQQSA-N -1 3 374.434 0.396 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](C(F)(F)F)OC[C@H]2C)cn1 ZINC000672185019 493741416 /nfs/dbraw/zinc/74/14/16/493741416.db2.gz GAVSTZNHARHTGO-PSASIEDQSA-N -1 3 367.349 0.782 10 0 FCAEHM COCc1n[n-]c(CNC(=O)Nc2cc(Br)cn(C)c2=O)n1 ZINC000666287878 493766930 /nfs/dbraw/zinc/76/69/30/493766930.db2.gz QXZYTPKKEFHZQO-UHFFFAOYSA-N -1 3 371.195 0.734 10 0 FCAEHM COc1ccc(-c2nc(CN3CC[NH+](CC(=O)[O-])CC3)cc(=O)[n-]2)cc1 ZINC000073696096 523202554 /nfs/dbraw/zinc/20/25/54/523202554.db2.gz VMABTDADTMWUKJ-UHFFFAOYSA-N -1 3 358.398 0.648 10 0 FCAEHM CCC[C@H](O)[C@@H](CO)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000412527717 528285263 /nfs/dbraw/zinc/28/52/63/528285263.db2.gz UCOUWHRPXGYJQC-YCPHGPKFSA-N -1 3 350.415 0.635 10 0 FCAEHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)C(=O)OC ZINC000442736058 536312469 /nfs/dbraw/zinc/31/24/69/536312469.db2.gz KGILFABPZOBQNZ-MRVPVSSYSA-N -1 3 370.305 0.483 10 0 FCAEHM COC[C@](C)(O)CCNC(=O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000452339505 536640498 /nfs/dbraw/zinc/64/04/98/536640498.db2.gz MKZHBDAAWVOCAI-OAHLLOKOSA-N -1 3 362.423 0.398 10 0 FCAEHM COC(=O)c1nscc1S(=O)(=O)[N-]CC(=O)NCc1ccco1 ZINC000443095187 536865985 /nfs/dbraw/zinc/86/59/85/536865985.db2.gz QUUQDTIAKJHNBV-UHFFFAOYSA-N -1 3 359.385 0.117 10 0 FCAEHM CC[C@H](C)C[C@H]([N-]S(=O)(=O)CCCN1CCOCC1)C(=O)OC ZINC000592068300 546606639 /nfs/dbraw/zinc/60/66/39/546606639.db2.gz VGSXHGJNJRNROT-KBPBESRZSA-N -1 3 350.481 0.606 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-][C@@H](C(=O)OC(C)(C)C)c2ccnn2C)c1 ZINC000592105337 546608663 /nfs/dbraw/zinc/60/86/63/546608663.db2.gz DOOKMIHJOIBQGT-CYBMUJFWSA-N -1 3 369.447 0.998 10 0 FCAEHM COC(=O)c1cc(Cl)cc(NC(=O)[C@H]2CCN(C)S2(=O)=O)c1[O-] ZINC000592799569 546666213 /nfs/dbraw/zinc/66/62/13/546666213.db2.gz RQGRQPIWLJYRHC-SNVBAGLBSA-N -1 3 362.791 0.805 10 0 FCAEHM CC[C@H](CNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)OC ZINC000592856822 546671433 /nfs/dbraw/zinc/67/14/33/546671433.db2.gz ICKMECOBEAUBNY-MRVPVSSYSA-N -1 3 368.864 0.995 10 0 FCAEHM COC(=O)c1cccc([N-]S(=O)(=O)CC2(OC)CCOCC2)c1N ZINC000593213660 546694991 /nfs/dbraw/zinc/69/49/91/546694991.db2.gz RRKLBRKOSQMKJM-UHFFFAOYSA-N -1 3 358.416 0.993 10 0 FCAEHM COC[C@](C)(CC(=O)OC)[N-]S(=O)(=O)CC1(OC)CCOCC1 ZINC000593562059 546715882 /nfs/dbraw/zinc/71/58/82/546715882.db2.gz RIPXWJMKJUBZCK-ZDUSSCGKSA-N -1 3 353.437 0.070 10 0 FCAEHM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCc2nnnn2C)c(F)c1 ZINC000593573616 546717973 /nfs/dbraw/zinc/71/79/73/546717973.db2.gz YUUNITRJUZMNDP-UHFFFAOYSA-N -1 3 357.367 0.047 10 0 FCAEHM COC(=O)[C@H](CCF)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000593631896 546724178 /nfs/dbraw/zinc/72/41/78/546724178.db2.gz IHCPRZXLKAQDIQ-JTQLQIEISA-N -1 3 371.383 0.409 10 0 FCAEHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](CCF)C(=O)OC ZINC000593632141 546724462 /nfs/dbraw/zinc/72/44/62/546724462.db2.gz KDDKDOMOMDEWJP-VIFPVBQESA-N -1 3 351.327 0.792 10 0 FCAEHM COC(=O)[C@H](CCF)[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000593631898 546724542 /nfs/dbraw/zinc/72/45/42/546724542.db2.gz IJAGGUGEUXNIGZ-JTQLQIEISA-N -1 3 362.354 0.890 10 0 FCAEHM CCc1nc(CNC(=O)CC[N-]S(=O)(=O)c2cn(C)c(C)n2)cs1 ZINC000593892396 546760647 /nfs/dbraw/zinc/76/06/47/546760647.db2.gz NYORRNYUTHQRQK-UHFFFAOYSA-N -1 3 371.488 0.732 10 0 FCAEHM COCC1(C[N-]S(=O)(=O)c2cc(C(=O)OC)ccc2C(=O)OC)CC1 ZINC000594474795 546791864 /nfs/dbraw/zinc/79/18/64/546791864.db2.gz LINRCPULXHNELL-UHFFFAOYSA-N -1 3 371.411 0.965 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](OC)[C@H]2CCOC2)cc1F ZINC000594802329 546827702 /nfs/dbraw/zinc/82/77/02/546827702.db2.gz NMKFLUDMFBNUFI-IINYFYTJSA-N -1 3 361.391 0.942 10 0 FCAEHM COC(=O)c1ccc(CS(=O)(=O)[N-]C[C@@]2(OCCO)CCOC2)cc1 ZINC000594816109 546831073 /nfs/dbraw/zinc/83/10/73/546831073.db2.gz FAIMSZNNUBRPAS-INIZCTEOSA-N -1 3 373.427 0.061 10 0 FCAEHM Cn1ccnc1CN1CCC[C@H]([N-]S(=O)(=O)c2cccs2)C1=O ZINC000541190960 547027363 /nfs/dbraw/zinc/02/73/63/547027363.db2.gz QSTXHZGODIAVTB-NSHDSACASA-N -1 3 354.457 0.951 10 0 FCAEHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC[C@@H]2CCOC2)cc1F ZINC000542250140 547029211 /nfs/dbraw/zinc/02/92/11/547029211.db2.gz SBTBIFOYVGBRMU-SNVBAGLBSA-N -1 3 351.421 0.934 10 0 FCAEHM O=C(Cc1ccc(Br)cc1[O-])NC[C@H]1CN2CCN1CC2 ZINC000548734845 547062513 /nfs/dbraw/zinc/06/25/13/547062513.db2.gz PWVVTWLPHGEILG-ZDUSSCGKSA-N -1 3 354.248 0.813 10 0 FCAEHM CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2nc(=N)n(C)[n-]2)c1 ZINC000550114414 547079057 /nfs/dbraw/zinc/07/90/57/547079057.db2.gz FGNHXFSQGIYKLG-ZDUSSCGKSA-N -1 3 363.443 0.999 10 0 FCAEHM NC(=O)NCC(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000552293931 547199531 /nfs/dbraw/zinc/19/95/31/547199531.db2.gz PYRFMRYWYBMMNH-UHFFFAOYSA-N -1 3 369.230 0.056 10 0 FCAEHM CCOC(=O)[C@@](C)(O)C[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000553520502 547284794 /nfs/dbraw/zinc/28/47/94/547284794.db2.gz KWCSQPGZDJFSJW-NSHDSACASA-N -1 3 356.322 0.693 10 0 FCAEHM Cc1cc(CCNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)on1 ZINC000553573114 547290380 /nfs/dbraw/zinc/29/03/80/547290380.db2.gz ZPYIWEVKWGQFFK-UHFFFAOYSA-N -1 3 357.164 0.367 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N[C@H]2CC[C@@H]2C)s1 ZINC000553728633 547302991 /nfs/dbraw/zinc/30/29/91/547302991.db2.gz FEHWSKYCLOMRGK-CABZTGNLSA-N -1 3 359.473 0.577 10 0 FCAEHM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000248658712 674537653 /nfs/dbraw/zinc/53/76/53/674537653.db2.gz YHRWNWVANGFVHH-WOPDTQHZSA-N -1 3 353.385 0.603 10 0 FCAEHM O=C(Cc1cccs1)N1CCC[C@@H]1C(=O)NCCCc1c[n-][nH]c1=O ZINC000898735383 665906199 /nfs/dbraw/zinc/90/61/99/665906199.db2.gz URLNRSCYWFKVDS-TZMCWYRMSA-N -1 3 362.455 0.910 10 0 FCAEHM COCC[C@](C)(O)C[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000866845468 663139186 /nfs/dbraw/zinc/13/91/86/663139186.db2.gz HVDKBGZAFURYJC-JTQLQIEISA-N -1 3 356.242 0.248 10 0 FCAEHM COCCN1CCC[C@H]1C[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000076669811 663213903 /nfs/dbraw/zinc/21/39/03/663213903.db2.gz PXUNYSYRIBXXFW-NSHDSACASA-N -1 3 350.872 0.771 10 0 FCAEHM CC(C)(CNC(=O)c1cc2c(cc1[O-])OCO2)N1CCS(=O)CC1 ZINC000436550701 665983964 /nfs/dbraw/zinc/98/39/64/665983964.db2.gz YTUIXBNZUCPCCH-UHFFFAOYSA-N -1 3 354.428 0.694 10 0 FCAEHM Cn1ccc(-c2noc(C[N-]S(=O)(=O)c3c[nH]c4ncccc34)n2)n1 ZINC000904880501 665993408 /nfs/dbraw/zinc/99/34/08/665993408.db2.gz FTHQLAKRXIIZJB-UHFFFAOYSA-N -1 3 359.371 0.825 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@@H]([C@H](C)O)C2)ccc1F ZINC000840567698 663797303 /nfs/dbraw/zinc/79/73/03/663797303.db2.gz UPFVMUCPEASLKR-SMDDNHRTSA-N -1 3 374.434 0.734 10 0 FCAEHM C[C@@H]1CN(C2CC2)C[C@H]1[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000866952844 665241952 /nfs/dbraw/zinc/24/19/52/665241952.db2.gz CQKIGSNTTVCTJT-PSASIEDQSA-N -1 3 363.281 0.944 10 0 FCAEHM CC[S@@](C)(=O)=NS(=O)(=O)[N-]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000866959491 665247350 /nfs/dbraw/zinc/24/73/50/665247350.db2.gz XJULZMDZROHXBV-RRMDADRESA-N -1 3 355.526 0.828 10 0 FCAEHM COc1cc(COCC(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)ccn1 ZINC000910179041 666240485 /nfs/dbraw/zinc/24/04/85/666240485.db2.gz IKGPAZRUHWGIOI-UHFFFAOYSA-N -1 3 351.403 0.614 10 0 FCAEHM CN1CCOC[C@@]1(CO)C[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000921338894 666436598 /nfs/dbraw/zinc/43/65/98/666436598.db2.gz SBKRJGJMHVLMMX-AWEZNQCLSA-N -1 3 350.387 0.077 10 0 FCAEHM CCOC(=O)[C@H](COC)[N-]S(=O)(=O)c1cnn(C)c1Br ZINC000921380423 666442228 /nfs/dbraw/zinc/44/22/28/666442228.db2.gz XHTVSUXRQJYDLM-ZETCQYMHSA-N -1 3 370.225 0.039 10 0 FCAEHM CN(CCO)CCN(C)C(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000912610747 666462610 /nfs/dbraw/zinc/46/26/10/666462610.db2.gz KNFQUKXLLHZPCJ-UHFFFAOYSA-N -1 3 364.471 0.458 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CCc1nnc2ccccn21 ZINC000081063763 666731947 /nfs/dbraw/zinc/73/19/47/666731947.db2.gz JGHCNSUJABLCJG-UHFFFAOYSA-N -1 3 354.823 0.946 10 0 FCAEHM CCNS(=O)(=O)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000731835136 666841092 /nfs/dbraw/zinc/84/10/92/666841092.db2.gz PPIFGHVBPCILKH-ZDUSSCGKSA-N -1 3 369.443 0.052 10 0 FCAEHM CC(C)CN(C(=O)COC(=O)c1cncc([O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000732392873 666870881 /nfs/dbraw/zinc/87/08/81/666870881.db2.gz ILEZCCLEZVUQEB-ZDUSSCGKSA-N -1 3 370.427 0.616 10 0 FCAEHM C[C@H]1COC[C@H]1[N-]S(=O)(=O)c1cnn(C)c1I ZINC000921504505 666877680 /nfs/dbraw/zinc/87/76/80/666877680.db2.gz ZJIWJKSWKWSLHT-NKWVEPMBSA-N -1 3 371.200 0.338 10 0 FCAEHM CON(C)C(=O)C[N-]S(=O)(=O)Cc1ccsc1Br ZINC000916453379 667002906 /nfs/dbraw/zinc/00/29/06/667002906.db2.gz MHONNPVKQZJTQK-UHFFFAOYSA-N -1 3 357.251 0.950 10 0 FCAEHM COC(=O)[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)c1cc(F)c(OC)cc1F ZINC000917242224 667065342 /nfs/dbraw/zinc/06/53/42/667065342.db2.gz JUSXLHXIRPLVHQ-JOYOIKCWSA-N -1 3 351.327 0.582 10 0 FCAEHM COc1cc(F)c(S(=O)(=O)[N-]C[C@]2(OCCO)CCOC2)cc1F ZINC000917236921 667066025 /nfs/dbraw/zinc/06/60/25/667066025.db2.gz GTBKGRNQGWEGQF-CQSZACIVSA-N -1 3 367.370 0.420 10 0 FCAEHM COc1ncc(S(=O)(=O)[N-]CCN2C[C@@H]3CCCCN3C2=O)s1 ZINC000917677558 667083400 /nfs/dbraw/zinc/08/34/00/667083400.db2.gz MVPURMQQNAWJLE-JTQLQIEISA-N -1 3 360.461 0.720 10 0 FCAEHM C[C@@H](CC[N-]S(=O)(=O)c1cn(C)nc1Br)[S@](C)=O ZINC000866974609 667155869 /nfs/dbraw/zinc/15/58/69/667155869.db2.gz RPNIKKHLRWZKJH-SKLCBMLGSA-N -1 3 358.283 0.618 10 0 FCAEHM Cn1ncnc1CCC[N-]S(=O)(=O)c1cccc(Br)n1 ZINC000919537164 667183937 /nfs/dbraw/zinc/18/39/37/667183937.db2.gz UHQVELNWDKZECE-UHFFFAOYSA-N -1 3 360.237 0.884 10 0 FCAEHM O=C(C[N-]S(=O)(=O)C1CN(C(=O)c2ccccc2)C1)c1cncs1 ZINC000921678614 667230218 /nfs/dbraw/zinc/23/02/18/667230218.db2.gz MLUZFIJTVGUKLD-UHFFFAOYSA-N -1 3 365.436 0.770 10 0 FCAEHM COC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H](CO)CC(F)F)s1 ZINC000758237296 667748878 /nfs/dbraw/zinc/74/88/78/667748878.db2.gz XWJMCHZQHQASPA-QMMMGPOBSA-N -1 3 372.415 0.941 10 0 FCAEHM CN(CC(C)(C)S(C)(=O)=O)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000763487324 667956433 /nfs/dbraw/zinc/95/64/33/667956433.db2.gz WMQNFDJYZUJIKE-UHFFFAOYSA-N -1 3 353.400 0.857 10 0 FCAEHM Cn1ccc(C[N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)n1 ZINC000765736746 668013530 /nfs/dbraw/zinc/01/35/30/668013530.db2.gz WGJZFPHSSPZTLD-UHFFFAOYSA-N -1 3 363.848 0.956 10 0 FCAEHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OCCn1nc2ccccn2c1=O ZINC000770105965 668172607 /nfs/dbraw/zinc/17/26/07/668172607.db2.gz YNVGXECSVPAXQW-GFCCVEGCSA-N -1 3 370.431 0.003 10 0 FCAEHM CNS(=O)(=O)CCCOC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000777061474 668306684 /nfs/dbraw/zinc/30/66/84/668306684.db2.gz GZNOIRZTZVMKNR-CYBMUJFWSA-N -1 3 370.427 0.479 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCc2cc(C(N)=O)co2)ccc1F ZINC000777913251 668342356 /nfs/dbraw/zinc/34/23/56/668342356.db2.gz ZPXPGAMCWPQYIM-UHFFFAOYSA-N -1 3 355.347 0.356 10 0 FCAEHM COC(=O)C(=O)[C@H](C)OC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000778297763 668359710 /nfs/dbraw/zinc/35/97/10/668359710.db2.gz PQGNSCYMXACJAB-QMMMGPOBSA-N -1 3 373.358 0.554 10 0 FCAEHM CCN(Cc1cn(C)nn1)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000782040063 668544205 /nfs/dbraw/zinc/54/42/05/668544205.db2.gz DABRSZXUXJBGTR-UHFFFAOYSA-N -1 3 355.395 0.525 10 0 FCAEHM C[C@@H]1C[C@@H](COC(=O)c2ccc(S(=O)(=O)[N-]CCO)s2)CCO1 ZINC000783853450 668634851 /nfs/dbraw/zinc/63/48/51/668634851.db2.gz QBVISODVZFZYIV-MNOVXSKESA-N -1 3 363.457 0.991 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](CO)C[C@H](O)C(C)(C)C ZINC000790383904 668875938 /nfs/dbraw/zinc/87/59/38/668875938.db2.gz BJTBSALHJMOGSN-UWVGGRQHSA-N -1 3 353.872 0.818 10 0 FCAEHM C[C@@H](CC(=O)N[C@H]1[C@@H]2COC[C@@H]21)[N-]S(=O)(=O)c1cccnc1Cl ZINC000794228182 668945647 /nfs/dbraw/zinc/94/56/47/668945647.db2.gz VYVHZDZVVCATHQ-QISWUMQESA-N -1 3 359.835 0.553 10 0 FCAEHM COC(OC)[C@@H](C)NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000819812405 669031471 /nfs/dbraw/zinc/03/14/71/669031471.db2.gz BQWVIDXTMRSRSQ-SSDOTTSWSA-N -1 3 356.853 0.803 10 0 FCAEHM O=C([N-]CC1CCN(C(=O)NCCCn2ccnn2)CC1)C(F)(F)F ZINC000798453481 669238524 /nfs/dbraw/zinc/23/85/24/669238524.db2.gz BSVMHLOCCGJLLH-UHFFFAOYSA-N -1 3 362.356 0.768 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCc2cnc(C)nc2N)ccc1F ZINC000808097452 669539005 /nfs/dbraw/zinc/53/90/05/669539005.db2.gz FZXUYTAKMJOUQJ-UHFFFAOYSA-N -1 3 353.379 0.344 10 0 FCAEHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]CC(=O)N(CC)OC)c1 ZINC000828164003 669621160 /nfs/dbraw/zinc/62/11/60/669621160.db2.gz GDTLQQGOJIAJLT-UHFFFAOYSA-N -1 3 362.379 0.691 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CC[C@H](c2ccccn2)C1 ZINC000811492434 669755112 /nfs/dbraw/zinc/75/51/12/669755112.db2.gz RMIQMQKJAKJYJA-ZDUSSCGKSA-N -1 3 364.427 0.981 10 0 FCAEHM COC(=O)CCCNC(=S)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000811721093 669765146 /nfs/dbraw/zinc/76/51/46/669765146.db2.gz PBCFMWPJEXUHNU-UHFFFAOYSA-N -1 3 352.416 0.822 10 0 FCAEHM O=C(NCCn1cnnn1)c1c[n-]c2ccc(Br)cc2c1=O ZINC000816286381 669951267 /nfs/dbraw/zinc/95/12/67/669951267.db2.gz JWOVIWDAHSANGW-UHFFFAOYSA-N -1 3 363.175 0.707 10 0 FCAEHM CC[C@]1(C)NC(=O)N([N-]C(=O)[C@H](C[C@@H]2COCCO2)C(F)(F)F)C1=O ZINC000834790674 669975020 /nfs/dbraw/zinc/97/50/20/669975020.db2.gz VGGCAYFJDFEBOY-ZDMBXUJBSA-N -1 3 367.324 0.722 10 0 FCAEHM Cc1cc(C)c(N2CC[C@H]([N-]S(=O)(=O)c3nncn3C)C2=O)c(C)c1 ZINC000867177964 670052197 /nfs/dbraw/zinc/05/21/97/670052197.db2.gz FHBNTGGQAGJOFS-ZDUSSCGKSA-N -1 3 363.443 0.824 10 0 FCAEHM COC[C@H](CO)[N-]S(=O)(=O)Cc1c(Br)cccc1OC ZINC000867213511 670079137 /nfs/dbraw/zinc/07/91/37/670079137.db2.gz MSJUUJBTXYBIJJ-VIFPVBQESA-N -1 3 368.249 0.884 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CC2([S@@](C)=O)CC2)c(Br)n1 ZINC000867227880 670093144 /nfs/dbraw/zinc/09/31/44/670093144.db2.gz CEOWUTNIXJFINM-QGZVFWFLSA-N -1 3 356.267 0.372 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCCN(C(=O)N3CCCC3)C2)nn1 ZINC000867259710 670548122 /nfs/dbraw/zinc/54/81/22/670548122.db2.gz OTZZNCJYRLNIMJ-ZDUSSCGKSA-N -1 3 353.448 0.744 10 0 FCAEHM Cn1ncc(C[N-]S(=O)(=O)Cc2ncsc2Br)n1 ZINC000867267696 670606874 /nfs/dbraw/zinc/60/68/74/670606874.db2.gz YEFDESBADZQVBS-UHFFFAOYSA-N -1 3 352.239 0.654 10 0 FCAEHM CCNC(=O)[C@@H]([N-]S(=O)(=O)c1cn(C)nc1Br)C(C)C ZINC000867305216 670742578 /nfs/dbraw/zinc/74/25/78/670742578.db2.gz KXSOKFGBJMDZJX-VIFPVBQESA-N -1 3 367.269 0.622 10 0 FCAEHM CCN1C[C@@H](S(=O)(=O)[N-]Cc2cc(Br)no2)CC1=O ZINC000867323990 670786607 /nfs/dbraw/zinc/78/66/07/670786607.db2.gz XQPVQHDPGRJKAL-QMMMGPOBSA-N -1 3 352.210 0.477 10 0 FCAEHM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000844036198 670885648 /nfs/dbraw/zinc/88/56/48/670885648.db2.gz QGYQSIPVTDZGGX-QWRGUYRKSA-N -1 3 366.384 0.268 10 0 FCAEHM O=C(NN1CC(=O)[N-]C1=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000845219976 670980550 /nfs/dbraw/zinc/98/05/50/670980550.db2.gz QTJWUOZGBMYJNA-MRVPVSSYSA-N -1 3 354.160 0.898 10 0 FCAEHM COC[C@](C)(O)CC[N-]S(=O)(=O)c1cc(C(=O)OC)cc(C)c1F ZINC000848458227 671277570 /nfs/dbraw/zinc/27/75/70/671277570.db2.gz POAGGXNNLMOUNN-OAHLLOKOSA-N -1 3 363.407 0.987 10 0 FCAEHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]CC[C@@]2(O)CCOC2)c1 ZINC000848461080 671278505 /nfs/dbraw/zinc/27/85/05/671278505.db2.gz SIIZURQGZVBFNV-OAHLLOKOSA-N -1 3 361.391 0.741 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCNC2=O)c(Cl)cc1Cl ZINC000849410565 671339514 /nfs/dbraw/zinc/33/95/14/671339514.db2.gz MZYHJLSCDNFFSC-VIFPVBQESA-N -1 3 367.210 0.947 10 0 FCAEHM COC(=O)c1sc(S(=O)(=O)[N-][C@H]2CCNC2=O)c(C)c1Cl ZINC000849411000 671339789 /nfs/dbraw/zinc/33/97/89/671339789.db2.gz TYOGJKWQNPPROR-LURJTMIESA-N -1 3 352.821 0.663 10 0 FCAEHM COCc1nc(C[N-]S(=O)(=O)c2cc(C(=O)OC)ccc2F)n[nH]1 ZINC000849437324 671344724 /nfs/dbraw/zinc/34/47/24/671344724.db2.gz DVCBWTNAAHOLOQ-UHFFFAOYSA-N -1 3 358.351 0.355 10 0 FCAEHM COCc1nc(C[N-]S(=O)(=O)c2cc(C(=O)OC)ccc2Cl)n[nH]1 ZINC000849437556 671344943 /nfs/dbraw/zinc/34/49/43/671344943.db2.gz HCMSHAZUACTOFD-UHFFFAOYSA-N -1 3 374.806 0.870 10 0 FCAEHM Cn1[n-]c(CN[C@H]2Cc3ccccc3N(C(=O)C(F)(F)F)C2)nc1=O ZINC000852451815 671508164 /nfs/dbraw/zinc/50/81/64/671508164.db2.gz PTXTUBZSMYGGEO-JTQLQIEISA-N -1 3 355.320 0.718 10 0 FCAEHM COC(=O)c1cnc(COC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)cn1 ZINC000853155717 671538901 /nfs/dbraw/zinc/53/89/01/671538901.db2.gz FPBLBZRUOHNKRQ-LLVKDONJSA-N -1 3 359.404 0.270 10 0 FCAEHM O=C(NCCS(=O)(=O)CC(F)(F)F)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000855576976 671652820 /nfs/dbraw/zinc/65/28/20/671652820.db2.gz SFKUMAMXVPXDOI-UHFFFAOYSA-N -1 3 364.301 0.277 10 0 FCAEHM O=C(CCC(=O)Nc1nnc(C2CC2)o1)[N-]OCCN1CCCC1=O ZINC000856039086 671675461 /nfs/dbraw/zinc/67/54/61/671675461.db2.gz OPSPWKKHFIELJZ-UHFFFAOYSA-N -1 3 351.363 0.336 10 0 FCAEHM O=S(=O)([N-]C[C@@H]1CN(Cc2ccncc2)CCO1)c1c[nH]nc1Cl ZINC000859391371 671822371 /nfs/dbraw/zinc/82/23/71/671822371.db2.gz JEAPFXLGABCBRX-GFCCVEGCSA-N -1 3 371.850 0.637 10 0 FCAEHM CN1CC(=O)Nc2cc(C(=O)NCc3nc(C(F)(F)F)n[n-]3)cnc21 ZINC000860954770 671927378 /nfs/dbraw/zinc/92/73/78/671927378.db2.gz HOPDVRWKMYVQEA-UHFFFAOYSA-N -1 3 355.280 0.537 10 0 FCAEHM CC[C@]1(C)NC(=O)N([N-]C(=O)c2cc(S(N)(=O)=O)cc(F)c2C)C1=O ZINC000861449958 671962255 /nfs/dbraw/zinc/96/22/55/671962255.db2.gz ZXUFLUAINZJEJK-AWEZNQCLSA-N -1 3 372.378 0.147 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NC2CC(N3CCOCC3)C2)ccc1F ZINC000862110233 672028259 /nfs/dbraw/zinc/02/82/59/672028259.db2.gz WTZPTIZRBDWGTJ-UHFFFAOYSA-N -1 3 371.434 0.327 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2COCCN2C)ccc1F ZINC000862973722 672092946 /nfs/dbraw/zinc/09/29/46/672092946.db2.gz TYYCHDKKKZBGGI-CYBMUJFWSA-N -1 3 373.450 0.573 10 0 FCAEHM CN(C)S(=O)(=O)N1CC(NC(=O)c2cc3sccc3c([O-])c2)C1 ZINC000863544609 672134808 /nfs/dbraw/zinc/13/48/08/672134808.db2.gz ZCBHSLJZVHIDGP-UHFFFAOYSA-N -1 3 355.441 0.827 10 0 FCAEHM C[S@@](=O)(=NS(=O)(=O)[N-]CCCN1CCOCC1)c1ccccc1 ZINC000866379379 672269479 /nfs/dbraw/zinc/26/94/79/672269479.db2.gz MYRURBWPNVPAKT-QFIPXVFZSA-N -1 3 361.489 0.700 10 0 FCAEHM O=C(C[N-]S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1)OCc1ccccc1 ZINC000866393251 672270372 /nfs/dbraw/zinc/27/03/72/672270372.db2.gz BMVIKVZMDSURED-CQSZACIVSA-N -1 3 352.412 0.413 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]C[C@]2(N3CCOCC3)CCSC2)nn1 ZINC000866581042 672283312 /nfs/dbraw/zinc/28/33/12/672283312.db2.gz ZACOSDOIUBIUBZ-CQSZACIVSA-N -1 3 358.489 0.271 10 0 FCAEHM CN(C)C(=O)CCC[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000866592034 672283899 /nfs/dbraw/zinc/28/38/99/672283899.db2.gz BXTISXBTDFLXDS-UHFFFAOYSA-N -1 3 353.242 0.329 10 0 FCAEHM C[C@@H](CN1CCN(C)CC1)[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1 ZINC000866747001 672296503 /nfs/dbraw/zinc/29/65/03/672296503.db2.gz NGHWYIBVZUVNGF-PSLXWICFSA-N -1 3 374.532 0.614 10 0 FCAEHM CCN1C[C@@H](S(=O)(=O)[N-][C@@H](C)C(=O)OCc2ccccc2)CC1=O ZINC000867483104 672323603 /nfs/dbraw/zinc/32/36/03/672323603.db2.gz OSZOXNRCIHKBHO-JSGCOSHPSA-N -1 3 354.428 0.659 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@@H]2C[C@H](O)C23CCC3)c(Br)n1 ZINC000867519009 672329902 /nfs/dbraw/zinc/32/99/02/672329902.db2.gz MDNKDRUEKCMGFD-BDAKNGLRSA-N -1 3 350.238 0.764 10 0 FCAEHM CN1CCOC[C@H]1C[N-]S(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC000867562260 672337882 /nfs/dbraw/zinc/33/78/82/672337882.db2.gz LTZSVPFOOOMSCR-MRVPVSSYSA-N -1 3 362.864 0.954 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-][C@@H]2CCCN(CCF)C2)c1Br ZINC000867714266 672358047 /nfs/dbraw/zinc/35/80/47/672358047.db2.gz YWAGSBGUDYBFQM-SECBINFHSA-N -1 3 369.260 0.895 10 0 FCAEHM O=C1OC[C@@]2(C[N-]S(=O)(=O)Cc3c(F)cccc3F)COCCN12 ZINC000867750186 672363136 /nfs/dbraw/zinc/36/31/36/672363136.db2.gz TYCJAPFNQNBVOS-CQSZACIVSA-N -1 3 362.354 0.605 10 0 FCAEHM O=C1COC[C@]2(C[N-]S(=O)(=O)c3ccc(Cl)s3)COCCN12 ZINC000867790272 672367711 /nfs/dbraw/zinc/36/77/11/672367711.db2.gz HBCSGJXJLSJVIN-LBPRGKRZSA-N -1 3 366.848 0.308 10 0 FCAEHM Cc1ccc(CN2CCO[C@H](C[N-]S(=O)(=O)c3nncn3C)C2)cc1 ZINC000867792478 672368355 /nfs/dbraw/zinc/36/83/55/672368355.db2.gz RSDXAYWNMHBXME-OAHLLOKOSA-N -1 3 365.459 0.303 10 0 FCAEHM CCN1C[C@H](S(=O)(=O)[N-]Cc2ncc(Br)s2)CC1=O ZINC000867863638 672374714 /nfs/dbraw/zinc/37/47/14/672374714.db2.gz UTKCQMXODHAFRZ-SSDOTTSWSA-N -1 3 368.278 0.946 10 0 FCAEHM CC(C)(O)CN1CC[C@H](NC(=O)c2ccccc2[N-]S(C)(=O)=O)C1 ZINC000869785313 672451246 /nfs/dbraw/zinc/45/12/46/672451246.db2.gz LTMVRGXUSNHDNT-LBPRGKRZSA-N -1 3 355.460 0.633 10 0 FCAEHM O=C(C[C@H]1CS(=O)(=O)CCN1)Nc1cc(Br)ccc1[O-] ZINC000126862339 673037872 /nfs/dbraw/zinc/03/78/72/673037872.db2.gz BLKAMEOKYWLNEK-VIFPVBQESA-N -1 3 363.233 0.870 10 0 FCAEHM CC[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000926327386 673823299 /nfs/dbraw/zinc/82/32/99/673823299.db2.gz VTDNENRIDVIWQT-KBXCAEBGSA-N -1 3 351.447 0.787 10 0 FCAEHM COC1(CNC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)CCOCC1 ZINC001670795372 1169845303 /nfs/dbraw/zinc/84/53/03/1169845303.db2.gz JOQLFNBHDPRBCR-LBPRGKRZSA-N -1 3 351.407 0.256 10 0 FCAEHM COc1cccc([C@@H]2C[C@H]2C(=O)NC[C@@H](C)NCc2nc(=O)n(C)[n-]2)c1 ZINC001266977068 1171198489 /nfs/dbraw/zinc/19/84/89/1171198489.db2.gz INEXHZANZXIIDY-BYCMXARLSA-N -1 3 359.430 0.515 10 0 FCAEHM CO[C@H](C)CCC(=O)N1C[C@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@@]2(C)C1 ZINC001719680571 1179345228 /nfs/dbraw/zinc/34/52/28/1179345228.db2.gz NABIFMOWRNGWRH-FHSNZYRGSA-N -1 3 362.430 0.918 10 0 FCAEHM CCC[C@@H](OC)C(=O)N1C[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@]2(C)C1 ZINC001719685382 1179369850 /nfs/dbraw/zinc/36/98/50/1179369850.db2.gz JRFSFMFRUFMIRU-WPKBUWHJSA-N -1 3 362.430 0.918 10 0 FCAEHM COC[C@@H](OC)C(=O)NCC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001719771784 1179956123 /nfs/dbraw/zinc/95/61/23/1179956123.db2.gz AHNPDSVQMLWBPO-YRGRVCCFSA-N -1 3 366.418 0.058 10 0 FCAEHM NC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC001719815963 1181373219 /nfs/dbraw/zinc/37/32/19/1181373219.db2.gz HRBYPCCPJNYZOJ-DGFSRKRXSA-N -1 3 368.393 0.265 10 0 FCAEHM CCCN(CCNC(=O)c1cnc[n-]c1=O)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001745460984 1186597489 /nfs/dbraw/zinc/59/74/89/1186597489.db2.gz KWKMZABKHBURAD-KCQAQPDRSA-N -1 3 362.430 0.966 10 0 FCAEHM CCOCCn1cc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cn[n-]n2)C3)cn1 ZINC001719911804 1191054243 /nfs/dbraw/zinc/05/42/43/1191054243.db2.gz HWBWDARAHUXDJX-NFAWXSAZSA-N -1 3 373.417 0.213 10 0 FCAEHM COCC(=O)N[C@]12CCC[C@H]1CN(C(=O)c1cc(=O)[n-]c(C3CC3)n1)C2 ZINC001719938786 1191224403 /nfs/dbraw/zinc/22/44/03/1191224403.db2.gz HILQKNWZXQTSDO-SGTLLEGYSA-N -1 3 360.414 0.817 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)Cc3ccc4c(c3)NC(=O)C4)CC2)n1 ZINC000899498652 1194163135 /nfs/dbraw/zinc/16/31/35/1194163135.db2.gz VANHMMQOFGMCOE-UHFFFAOYSA-N -1 3 367.409 0.877 10 0 FCAEHM COC(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000899631531 1194181559 /nfs/dbraw/zinc/18/15/59/1194181559.db2.gz MHEXOZAJEAIKKV-JSGCOSHPSA-N -1 3 361.398 0.954 10 0 FCAEHM O=C(OCCN1C(=O)CNC1=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000046332947 1196611908 /nfs/dbraw/zinc/61/19/08/1196611908.db2.gz BUNJXFRNQYSNJR-GFCCVEGCSA-N -1 3 361.354 0.092 10 0 FCAEHM O=C(COC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])N1CCNC1=O ZINC000046332254 1196612068 /nfs/dbraw/zinc/61/20/68/1196612068.db2.gz LXVKVIKLDDWWPP-LBPRGKRZSA-N -1 3 361.354 0.092 10 0 FCAEHM COc1ccc(CN2C[C@@H](C(=O)NCCCc3c[n-][nH]c3=O)CC2=O)cc1 ZINC001168403393 1196696401 /nfs/dbraw/zinc/69/64/01/1196696401.db2.gz HYHATNUMSJYYAD-GJZGRUSLSA-N -1 3 372.425 0.672 10 0 FCAEHM COc1ccc(N2C[C@@H](C(=O)NCCCc3c[n-][nH]c3=O)CC2=O)cc1 ZINC001168406211 1196744804 /nfs/dbraw/zinc/74/48/04/1196744804.db2.gz YHXGBRJRQLRENB-STQMWFEESA-N -1 3 358.398 0.676 10 0 FCAEHM CCOC(=O)[C@H](NC(=O)c1cc2c(cc1[O-])OCO2)[C@H](O)c1ccncc1 ZINC001169735776 1199089326 /nfs/dbraw/zinc/08/93/26/1199089326.db2.gz OACDPNNSFSECRT-HZPDHXFCSA-N -1 3 374.349 0.911 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)[n-]1 ZINC000787907173 1200918422 /nfs/dbraw/zinc/91/84/22/1200918422.db2.gz YUEACXNOMPQIME-GFCCVEGCSA-N -1 3 371.397 0.959 10 0 FCAEHM NC(=O)[C@@H]1CC(C(=O)NCc2ncccc2[O-])=NN1c1ccc(F)cc1 ZINC000792612802 1201206783 /nfs/dbraw/zinc/20/67/83/1201206783.db2.gz KFRNCHYUNISYJO-AWEZNQCLSA-N -1 3 357.345 0.663 10 0 FCAEHM COC(=O)[C@H](CCF)NC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC000846423375 1204625141 /nfs/dbraw/zinc/62/51/41/1204625141.db2.gz BLKDAFWHSAZYFV-NSHDSACASA-N -1 3 367.308 0.505 10 0 FCAEHM COC(=O)[C@H](CCF)NC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000846423375 1204625147 /nfs/dbraw/zinc/62/51/47/1204625147.db2.gz BLKDAFWHSAZYFV-NSHDSACASA-N -1 3 367.308 0.505 10 0 FCAEHM CN(C)CCn1c2cc(C(=O)N3CC[C@H](c4nnn[n-]4)C3)ccc2[nH]c1=O ZINC001175563819 1206306062 /nfs/dbraw/zinc/30/60/62/1206306062.db2.gz WMKORBPCLRGUFA-LBPRGKRZSA-N -1 3 370.417 0.446 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC[C@@H](O)c1c[nH]cn1 ZINC001177837301 1206348416 /nfs/dbraw/zinc/34/84/16/1206348416.db2.gz JPBZEHIXWHPZKM-OAHLLOKOSA-N -1 3 368.397 0.646 10 0 FCAEHM COC(=O)c1cc(NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)c([O-])c(OC)c1 ZINC001179884362 1206386662 /nfs/dbraw/zinc/38/66/62/1206386662.db2.gz UTNZIMWQRWUGPZ-SNVBAGLBSA-N -1 3 374.353 0.902 10 0 FCAEHM O=C(CNC(=O)c1ccc(F)cc1)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001180028145 1206387708 /nfs/dbraw/zinc/38/77/08/1206387708.db2.gz OXGCAAWHJOTFSR-CYBMUJFWSA-N -1 3 359.361 0.446 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccc(-n2cccn2)nc1 ZINC001180029066 1206388087 /nfs/dbraw/zinc/38/80/87/1206388087.db2.gz YDXAQKUEFMURTA-ZDUSSCGKSA-N -1 3 351.370 0.772 10 0 FCAEHM CN(Cc1cc(=O)n2nc(N)[n-]c2n1)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC001197484935 1208167101 /nfs/dbraw/zinc/16/71/01/1208167101.db2.gz ZSWZHJVVIFJPHP-CYBMUJFWSA-N -1 3 369.385 0.457 10 0 FCAEHM COC(=O)c1cc(C(=O)CN2CCN(c3nc(C)cc(=O)[n-]3)CC2)c(C)[nH]1 ZINC001197844327 1208198976 /nfs/dbraw/zinc/19/89/76/1208198976.db2.gz DCSIXOBCUPXLII-UHFFFAOYSA-N -1 3 373.413 0.919 10 0 FCAEHM C[C@H](CN(C)C(=O)c1cnc[n-]c1=O)NC(=O)[C@@H]1C[C@H]1c1ccnn1C ZINC001487813728 1208398952 /nfs/dbraw/zinc/39/89/52/1208398952.db2.gz MXTZZJLCEMFXRF-IJLUTSLNSA-N -1 3 358.402 0.296 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@H](C)NC(=O)c1c(C)nc[n-]c1=O ZINC001487818963 1208400491 /nfs/dbraw/zinc/40/04/91/1208400491.db2.gz ZNCOJIJGSGZPRC-SUHUHFCYSA-N -1 3 350.419 0.882 10 0 FCAEHM C[C@H](CCCCNC(=O)[C@@H]1C[C@H]1c1ccnn1C)NC(=O)c1cn[n-]n1 ZINC001489137852 1208639289 /nfs/dbraw/zinc/63/92/89/1208639289.db2.gz MCZFRKZJOGYGLW-JHJVBQTASA-N -1 3 359.434 0.747 10 0 FCAEHM CC(C)=CC(=O)N[C@@H]1CN(C(=O)c2cc(=O)c3ccccc3[n-]2)C[C@H]1O ZINC001489287668 1208717934 /nfs/dbraw/zinc/71/79/34/1208717934.db2.gz NHZFOXRSJBDZFL-NVXWUHKLSA-N -1 3 355.394 0.796 10 0 FCAEHM C[C@H](CCC(C)(C)C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001489362481 1208822965 /nfs/dbraw/zinc/82/29/65/1208822965.db2.gz JCFZHLRQKZDFEA-MRVWCRGKSA-N -1 3 364.446 0.946 10 0 FCAEHM CCO[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cnc[n-]c2=O)C1)C(C)C ZINC001489463471 1208847386 /nfs/dbraw/zinc/84/73/86/1208847386.db2.gz HSFANIMQJHQKLP-MRVWCRGKSA-N -1 3 350.419 0.820 10 0 FCAEHM CC[C@H](F)C(=O)N[C@@H]1CN(C(=O)CCc2c(C)nc[n-]c2=O)C[C@H]1OC ZINC001489536619 1208898003 /nfs/dbraw/zinc/89/80/03/1208898003.db2.gz IAUXTPMYLWONOD-BFHYXJOUSA-N -1 3 368.409 0.513 10 0 FCAEHM C[C@@H](CC(F)F)C(=O)N1C[C@@H](NC(=O)c2cccc3n[n-]nc32)[C@@H](O)C1 ZINC001489583323 1208998505 /nfs/dbraw/zinc/99/85/05/1208998505.db2.gz IDZLIMNDNNCBFO-AXTRIDKLSA-N -1 3 367.356 0.551 10 0 FCAEHM O=C(CCn1ccccc1=O)NC[C@H]1CC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC001489883424 1209102782 /nfs/dbraw/zinc/10/27/82/1209102782.db2.gz CIVGNTZUDBWBTO-QWHCGFSZSA-N -1 3 358.402 0.071 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)COCc1cc(C)no1 ZINC001490005247 1209208824 /nfs/dbraw/zinc/20/88/24/1209208824.db2.gz QZSCPTSJXGYJSU-GXTWGEPZSA-N -1 3 362.390 0.427 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1CNC(=O)CNC(=O)C1CC1 ZINC001490266516 1209306656 /nfs/dbraw/zinc/30/66/56/1209306656.db2.gz QYCBRRLKXLNGSC-TZMCWYRMSA-N -1 3 359.426 0.743 10 0 FCAEHM CS(=O)(=O)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1[O-])C2 ZINC001490562563 1209374764 /nfs/dbraw/zinc/37/47/64/1209374764.db2.gz ZXQWXIRTNWYVDU-XBFCOCLRSA-N -1 3 366.439 0.689 10 0 FCAEHM Cn1cc(CCC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cnc[n-]c2=O)cn1 ZINC001490627332 1209393303 /nfs/dbraw/zinc/39/33/03/1209393303.db2.gz AHPWCMKUADIZPL-SNPRPXQTSA-N -1 3 370.413 0.410 10 0 FCAEHM CC(C)(C)OC(=O)N1CC(OCCC(=O)NCCCc2cc(=O)[nH][n-]2)C1 ZINC000854486339 1209631382 /nfs/dbraw/zinc/63/13/82/1209631382.db2.gz VDCOYTLHLIQIAP-UHFFFAOYSA-N -1 3 368.434 0.785 10 0 FCAEHM CC(C)n1ncnc1CNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC000861450356 1209867143 /nfs/dbraw/zinc/86/71/43/1209867143.db2.gz TXAHIGVOXGFUAU-UHFFFAOYSA-N -1 3 372.360 0.976 10 0 FCAEHM CC(C)n1ncnc1CNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000861450356 1209867144 /nfs/dbraw/zinc/86/71/44/1209867144.db2.gz TXAHIGVOXGFUAU-UHFFFAOYSA-N -1 3 372.360 0.976 10 0 FCAEHM O=C1OC[C@]2(CN=c3cc(-c4ccccc4)n4[n-]cnc4n3)COCCN12 ZINC000866154966 1209992108 /nfs/dbraw/zinc/99/21/08/1209992108.db2.gz AWMYRWVZZDUNBD-SFHVURJKSA-N -1 3 366.381 0.846 10 0 FCAEHM CC(=O)N[C@@H](CC(C)C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn[n-]n1)C2 ZINC001490830682 1211450600 /nfs/dbraw/zinc/45/06/00/1211450600.db2.gz NIVNLUZBRABVGF-CXTNEJHOSA-N -1 3 362.434 0.217 10 0 FCAEHM CN1C[C@@H](CCNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC1=O ZINC000927744623 1211580905 /nfs/dbraw/zinc/58/09/05/1211580905.db2.gz CZVBIJKHWNJHNP-ZFWWWQNUSA-N -1 3 359.426 0.981 10 0 FCAEHM CC(=O)N(C)CC(=O)N[C@]12CCC[C@H]1CN(C(=O)c1ccccc1[O-])C2 ZINC001490891444 1219409466 /nfs/dbraw/zinc/40/94/66/1219409466.db2.gz NFLQRJHAGAILCL-LIRRHRJNSA-N -1 3 359.426 0.981 10 0 FCAEHM CC[C@@H](CNC(=O)C(=O)N1CCC(CC)(N2CCOCC2)CC1)C(=O)[O-] ZINC001119641902 1221944025 /nfs/dbraw/zinc/94/40/25/1221944025.db2.gz IUBOGYZUFAQXOP-AWEZNQCLSA-N -1 3 369.462 0.317 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])N1CC[C@]2(CNC(=O)C2)C1 ZINC001139541354 1222553152 /nfs/dbraw/zinc/55/31/52/1222553152.db2.gz QANQREZCSHJVJC-SFHVURJKSA-N -1 3 372.356 0.226 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c([O-])cc1=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC001139541354 1222553155 /nfs/dbraw/zinc/55/31/55/1222553155.db2.gz QANQREZCSHJVJC-SFHVURJKSA-N -1 3 372.356 0.226 10 0 FCAEHM COCCN1CCC[C@H]1CNC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000842612466 1222849967 /nfs/dbraw/zinc/84/99/67/1222849967.db2.gz XPZMPGICJRQCGK-RDJZCZTQSA-N -1 3 374.441 0.933 10 0 FCAEHM COc1ccccc1[C@@H]1CNCCN1C(=O)CCn1cc[n-]c(=O)c1=O ZINC000843475068 1222878014 /nfs/dbraw/zinc/87/80/14/1222878014.db2.gz XKACGENKNJECMC-AWEZNQCLSA-N -1 3 358.398 0.108 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC001149264007 1222881409 /nfs/dbraw/zinc/88/14/09/1222881409.db2.gz YJMUZPFFNOHSIX-LSDHHAIUSA-N -1 3 357.414 0.562 10 0 FCAEHM Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)NCCCc1c[n-][nH]c1=O ZINC001149263198 1222881457 /nfs/dbraw/zinc/88/14/57/1222881457.db2.gz RPSINLYCNRMSKH-HIFRSBDPSA-N -1 3 373.392 0.533 10 0 FCAEHM O=C(CCc1nc(-c2ncccn2)no1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001164321980 1223237620 /nfs/dbraw/zinc/23/76/20/1223237620.db2.gz LISUKRMTDFBGLL-SNVBAGLBSA-N -1 3 355.358 0.904 10 0 FCAEHM CN1NN=C2C1=NCC[C@H]2C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000847101478 1245330090 /nfs/dbraw/zinc/33/00/90/1245330090.db2.gz YYKGGZYYBAXAJJ-SNVBAGLBSA-N -1 3 374.367 0.128 10 0 FCAEHM O=C(COc1cccnc1)NC[C@H]1CC[C@@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001515098285 1265429502 /nfs/dbraw/zinc/42/95/02/1265429502.db2.gz RIQNMLOCUXHBSI-QWHCGFSZSA-N -1 3 371.397 0.671 10 0 FCAEHM CCO[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1CNC(=O)[C@H](C)OC ZINC001515239617 1265477211 /nfs/dbraw/zinc/47/72/11/1265477211.db2.gz HYHKHFDTELRVAC-YNEHKIRRSA-N -1 3 366.418 0.119 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2cnc[n-]c2=O)CCN1C(=O)C[C@@H](C)COC ZINC001519875860 1265791211 /nfs/dbraw/zinc/79/12/11/1265791211.db2.gz FXHVGXNIRTXTNX-KWCYVHTRSA-N -1 3 350.419 0.964 10 0 FCAEHM Cc1[nH]nc(C(=O)N2C[C@H]3CCN(C(=O)CN(C)C(C)C)C[C@H]3C2)c1[O-] ZINC001520196712 1265876815 /nfs/dbraw/zinc/87/68/15/1265876815.db2.gz ZABSFWDUTIEQGU-KGLIPLIRSA-N -1 3 363.462 0.684 10 0 FCAEHM COC[C@H](OC)C(=O)N1C[C@H]2CN(C(=O)c3ccccc3[O-])C[C@@]2(C)C1 ZINC001521686409 1266164066 /nfs/dbraw/zinc/16/40/66/1266164066.db2.gz LMFGCWVGQMZOOQ-AZOIQLNYSA-N -1 3 362.426 0.974 10 0 FCAEHM CC(=O)N1CCCN(Cc2cc(=O)n3nc(N)[n-]c3n2)c2ccccc21 ZINC001331328956 1266194773 /nfs/dbraw/zinc/19/47/73/1266194773.db2.gz UJWMPUNCBCSTCV-UHFFFAOYSA-N -1 3 353.386 0.763 10 0 FCAEHM COCC[C@@](C)(O)CNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001136988402 1259377831 /nfs/dbraw/zinc/37/78/31/1259377831.db2.gz XCICONHANVKGLE-QGZVFWFLSA-N -1 3 365.361 0.391 10 0 FCAEHM COCC[C@@](C)(O)CNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001136988402 1259377848 /nfs/dbraw/zinc/37/78/48/1259377848.db2.gz XCICONHANVKGLE-QGZVFWFLSA-N -1 3 365.361 0.391 10 0 FCAEHM COC(=O)[C@]12C[C@H]1C[C@H](NC(=O)N[C@@H]1CCN(c3cc(=O)[n-]cn3)C1)C2 ZINC001235080612 1259567749 /nfs/dbraw/zinc/56/77/49/1259567749.db2.gz GLBNQWMCTVGFAA-RHPZDQPFSA-N -1 3 361.402 0.402 10 0 FCAEHM O=C(NC[C@H](O)c1ccc(F)cc1)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001251451041 1259748635 /nfs/dbraw/zinc/74/86/35/1259748635.db2.gz NFNRBZYOTQQMJX-KGLIPLIRSA-N -1 3 361.377 0.933 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CC(O)(c2ccccc2)C1 ZINC001251451128 1259748860 /nfs/dbraw/zinc/74/88/60/1259748860.db2.gz PSPACKXNGGFJNX-CQSZACIVSA-N -1 3 355.398 0.674 10 0 FCAEHM Cc1cccc(C[C@H](CO)NC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)c1 ZINC001251450835 1259748977 /nfs/dbraw/zinc/74/89/77/1259748977.db2.gz HYXWBLYRVMPHAZ-HZPDHXFCSA-N -1 3 371.441 0.972 10 0 FCAEHM COc1ccnc(CNC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)c1F ZINC001253242586 1259831080 /nfs/dbraw/zinc/83/10/80/1259831080.db2.gz KZPKWCJKWSOBJD-SNVBAGLBSA-N -1 3 362.365 0.803 10 0 FCAEHM Cc1nonc1CN1CC[C@H](NC(=O)CCc2c(C)nc[n-]c2=O)[C@H]1C ZINC001264709558 1260397944 /nfs/dbraw/zinc/39/79/44/1260397944.db2.gz ZNUFRTXJDMRGQI-OCCSQVGLSA-N -1 3 360.418 0.894 10 0 FCAEHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)NCc1nc(=O)n(C)[n-]1 ZINC001265867076 1260418570 /nfs/dbraw/zinc/41/85/70/1260418570.db2.gz JDLLZOYFGGZNEO-ZMLRMANQSA-N -1 3 365.384 0.785 10 0 FCAEHM O=C(N[C@H](CO)CNC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1)c1cn[n-]n1 ZINC001337867671 1260504833 /nfs/dbraw/zinc/50/48/33/1260504833.db2.gz GMOFIVACAYCBFX-ARFHVFGLSA-N -1 3 371.441 0.986 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001281263042 1261101628 /nfs/dbraw/zinc/10/16/28/1261101628.db2.gz WRSVNHGQYJEXEC-JHJVBQTASA-N -1 3 364.446 0.722 10 0 FCAEHM CC(=O)CCCC(=O)N1C[C@@H]2CCN(C(=O)c3c(C)nc[n-]c3=O)[C@@H]2C1 ZINC001281629246 1261128756 /nfs/dbraw/zinc/12/87/56/1261128756.db2.gz OKLVJKIVDPHLEH-UONOGXRCSA-N -1 3 360.414 0.923 10 0 FCAEHM CC[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2c[n-]c3ccccc3c2=O)C[C@H]1O ZINC001281640021 1261133057 /nfs/dbraw/zinc/13/30/57/1261133057.db2.gz MVQDYQCFZHWMFY-HFBAOOFYSA-N -1 3 357.410 0.876 10 0 FCAEHM CC[C@H](F)C(=O)N[C@@H]1CN(C(=O)c2c[n-]c3ccccc3c2=O)C[C@H]1O ZINC001281704553 1261162275 /nfs/dbraw/zinc/16/22/75/1261162275.db2.gz IXJDGGIIXPIFFF-NWANDNLSSA-N -1 3 361.373 0.578 10 0 FCAEHM CC(=O)N(C)CCCC(=O)N1C[C@@H](C)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001281773136 1261190923 /nfs/dbraw/zinc/19/09/23/1261190923.db2.gz FQJRPTFVJKHEJO-BXUZGUMPSA-N -1 3 363.418 0.017 10 0 FCAEHM CCC[C@H](OCC)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1OC ZINC001281850587 1261233194 /nfs/dbraw/zinc/23/31/94/1261233194.db2.gz JXPDFOUJEHBWGB-HZSPNIEDSA-N -1 3 366.418 0.343 10 0 FCAEHM C[C@@H](CC(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@@H]1O)n1ccnc1 ZINC001281889276 1261259808 /nfs/dbraw/zinc/25/98/08/1261259808.db2.gz CTCAPAFSOZBOCQ-BJJXKVORSA-N -1 3 358.398 0.542 10 0 FCAEHM CCC(=O)N[C@@H](C)C(=O)N1C[C@H]2CCN(C(=O)c3ccccc3[O-])C[C@H]21 ZINC001281965791 1261311981 /nfs/dbraw/zinc/31/19/81/1261311981.db2.gz GRYLEPRDKONYDS-GZBFAFLISA-N -1 3 359.426 0.980 10 0 FCAEHM COCCC1(C(=O)N2CC[C@@H]3CN(C(=O)c4cnc[n-]c4=O)[C@@H]3C2)CC1 ZINC001281969725 1261313881 /nfs/dbraw/zinc/31/38/81/1261313881.db2.gz GEENIRVGLOJBKY-TZMCWYRMSA-N -1 3 360.414 0.672 10 0 FCAEHM CC=C(C)C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)n1 ZINC001282231844 1261387033 /nfs/dbraw/zinc/38/70/33/1261387033.db2.gz FASXZTRPMHKONE-TXIIWXJCSA-N -1 3 372.425 0.804 10 0 FCAEHM CCOC(=O)c1cccc2[n-]c(NC(=O)[C@H](C)NS(C)(=O)=O)nc21 ZINC001472300622 1261458369 /nfs/dbraw/zinc/45/83/69/1261458369.db2.gz LRENUGRELNXZEV-QMMMGPOBSA-N -1 3 354.388 0.616 10 0 FCAEHM C[C@@H]1C[C@@H](C(=O)NCC(=O)Nc2cccc3c(=O)[nH][n-]c(=O)c23)[C@H](C)O1 ZINC001472495972 1261470452 /nfs/dbraw/zinc/47/04/52/1261470452.db2.gz HDGKDIJVSAJLOH-WCABBAIRSA-N -1 3 360.370 0.909 10 0 FCAEHM COCCCOCC(=O)N1C[C@@H](CNC(=O)c2cnc[n-]c2=O)[C@H](C)C1 ZINC001282490138 1261481637 /nfs/dbraw/zinc/48/16/37/1261481637.db2.gz KOZRAJRJNYUYAY-CHWSQXEVSA-N -1 3 366.418 0.060 10 0 FCAEHM COC[C@@H](OC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c(C)nc[n-]c1=O ZINC001282788961 1261629132 /nfs/dbraw/zinc/62/91/32/1261629132.db2.gz LFUIIJNAGMPNOB-FVCCEPFGSA-N -1 3 364.402 0.014 10 0 FCAEHM CC1(CNC(=O)c2cnc[n-]c2=O)CCN(C(=O)[C@]23C[C@H]2COC3)CC1 ZINC001286148919 1261918895 /nfs/dbraw/zinc/91/88/95/1261918895.db2.gz KHEXUCFEUFSNHV-SGTLLEGYSA-N -1 3 360.414 0.577 10 0 FCAEHM C[C@@H](CCCNC(=O)c1ccccc1[O-])NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001287331159 1261950973 /nfs/dbraw/zinc/95/09/73/1261950973.db2.gz GHRBTZNJDBWOAX-TUKIKUTGSA-N -1 3 363.414 0.440 10 0 FCAEHM CN(C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)[C@@H](CNC(=O)c1cnc[n-]c1=O)C1CC1 ZINC001287531496 1261961987 /nfs/dbraw/zinc/96/19/87/1261961987.db2.gz UEXHPLYFMPQIGS-DARAHFNDSA-N -1 3 374.441 0.964 10 0 FCAEHM CCO[C@@H]1CN(C(=O)[C@@H](C)COC)C[C@H]1CNC(=O)c1cnc[n-]c1=O ZINC001290252258 1262411542 /nfs/dbraw/zinc/41/15/42/1262411542.db2.gz VWCQZTFLYHLMIZ-OUCADQQQSA-N -1 3 366.418 0.058 10 0 FCAEHM CC(C)(C)C(=O)NCc1nc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc(=O)[n-]1 ZINC001290364220 1262433419 /nfs/dbraw/zinc/43/34/19/1262433419.db2.gz IZIWHYWHLHEENQ-CRQFQMBKSA-N -1 3 374.441 0.884 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)CCOC1CCOCC1 ZINC001290444633 1262446047 /nfs/dbraw/zinc/44/60/47/1262446047.db2.gz QGUPAOUMFKIDRY-DZGCQCFKSA-N -1 3 365.434 0.500 10 0 FCAEHM C[C@@H](NC(=O)c1ccccc1)C(=O)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@H]1C ZINC001290669723 1262490621 /nfs/dbraw/zinc/49/06/21/1262490621.db2.gz OXJFAPJQEJXDHF-BZPMIXESSA-N -1 3 370.413 0.342 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1CCNC(=O)c1cnc[n-]c1=O ZINC001291634125 1262570242 /nfs/dbraw/zinc/57/02/42/1262570242.db2.gz SPBDGKTZFZFTBU-VXGBXAGGSA-N -1 3 358.402 0.444 10 0 FCAEHM CN(C)C(=O)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3n[n-]nc31)C2 ZINC001291874818 1262603406 /nfs/dbraw/zinc/60/34/06/1262603406.db2.gz ATVNSPYCRAOQTB-SWHYSGLUSA-N -1 3 370.413 0.298 10 0 FCAEHM CCN(CC)C(=O)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn[n-]n1)C2 ZINC001291924510 1262612372 /nfs/dbraw/zinc/61/23/72/1262612372.db2.gz HVNVLMPUQNKHFN-DYEKYZERSA-N -1 3 362.434 0.315 10 0 FCAEHM CC(C)[C@@H](O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001292084588 1262642484 /nfs/dbraw/zinc/64/24/84/1262642484.db2.gz VPJABSFQNYXFNW-UNIGVISCSA-N -1 3 374.441 0.938 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cocn1 ZINC001292153257 1262656444 /nfs/dbraw/zinc/65/64/44/1262656444.db2.gz WPBHSQJXDROKAZ-KYOSRNDESA-N -1 3 371.397 0.973 10 0 FCAEHM C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O)n1cccn1 ZINC001292232747 1262669511 /nfs/dbraw/zinc/66/95/11/1262669511.db2.gz ZQBQAUOJEKNMMM-MXYBEHONSA-N -1 3 370.413 0.892 10 0 FCAEHM O=C(CCc1nnn[n-]1)Nc1ccc2[nH]c(CCN3CCOCC3)nc2c1 ZINC001292585885 1262698614 /nfs/dbraw/zinc/69/86/14/1262698614.db2.gz ZSCFILAZPSADBM-UHFFFAOYSA-N -1 3 370.417 0.522 10 0 FCAEHM O=C(CCc1nn[n-]n1)Nc1ccc2[nH]c(CCN3CCOCC3)nc2c1 ZINC001292585885 1262698627 /nfs/dbraw/zinc/69/86/27/1262698627.db2.gz ZSCFILAZPSADBM-UHFFFAOYSA-N -1 3 370.417 0.522 10 0 FCAEHM O=C(N[C@@H](CNC(=O)[C@]12C[C@H]1COC2)C1CC1)c1cccc2n[n-]nc21 ZINC001294903101 1262749368 /nfs/dbraw/zinc/74/93/68/1262749368.db2.gz LWNZPRUXUSCPEQ-MIUNTBIASA-N -1 3 355.398 0.619 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N(C)CCNC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001296249363 1262799456 /nfs/dbraw/zinc/79/94/56/1262799456.db2.gz JLWCUEQIJMFOKN-UONOGXRCSA-N -1 3 355.398 0.878 10 0 FCAEHM CCN(CCNC(=O)[C@@H]1C[C@H]1C1CCOCC1)C(=O)c1cnc[n-]c1=O ZINC001296343429 1262806746 /nfs/dbraw/zinc/80/67/46/1262806746.db2.gz COJIENYOOCIKCN-UONOGXRCSA-N -1 3 362.430 0.823 10 0 FCAEHM CC(C)[C@H](CNC(=O)[C@]12C[C@H]1COC2)NC(=O)c1cccc2n[n-]nc21 ZINC001297979211 1262902390 /nfs/dbraw/zinc/90/23/90/1262902390.db2.gz KSDUWTPKZHAXMM-MIUNTBIASA-N -1 3 357.414 0.865 10 0 FCAEHM CN(C(=O)c1c[nH]nc1[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1nnn[n-]1 ZINC001301547787 1263010544 /nfs/dbraw/zinc/01/05/44/1263010544.db2.gz LYVLJJCBDLLXIJ-SECBINFHSA-N -1 3 362.394 0.924 10 0 FCAEHM Cn1ncc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)c1-n1cnnc1 ZINC001301754638 1263020042 /nfs/dbraw/zinc/02/00/42/1263020042.db2.gz MHFCPTCOAVYYDL-UHFFFAOYSA-N -1 3 354.374 0.694 10 0 FCAEHM CC[C@@H]1COCCN1CCNC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001479507614 1263232875 /nfs/dbraw/zinc/23/28/75/1263232875.db2.gz KIQNJQOHGZELIL-UONOGXRCSA-N -1 3 364.450 0.171 10 0 FCAEHM CC[C@H]1COCCN1CCNC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001479507612 1263233512 /nfs/dbraw/zinc/23/35/12/1263233512.db2.gz KIQNJQOHGZELIL-KGLIPLIRSA-N -1 3 364.450 0.171 10 0 FCAEHM COC(=O)C[C@@H]1CN(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)C[C@H]1C ZINC001479509470 1263235501 /nfs/dbraw/zinc/23/55/01/1263235501.db2.gz SILHSXLRRYIJHR-UPJWGTAASA-N -1 3 363.418 0.602 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)NCC[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001481435896 1263439772 /nfs/dbraw/zinc/43/97/72/1263439772.db2.gz UFLVMEBJXQVMHR-NFAWXSAZSA-N -1 3 351.451 0.252 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)NCC[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001481435895 1263441759 /nfs/dbraw/zinc/44/17/59/1263441759.db2.gz UFLVMEBJXQVMHR-GUTXKFCHSA-N -1 3 351.451 0.252 10 0 FCAEHM C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)N(C)C(=O)c1nnc2ccccc2c1[O-] ZINC001487005192 1263569271 /nfs/dbraw/zinc/56/92/71/1263569271.db2.gz XFRXVQXMTLEIMD-JLLWLGSASA-N -1 3 371.397 0.034 10 0 FCAEHM CC(C)C[C@@H](CNCc1nc(=O)n(C)[n-]1)NC(=O)[C@]12CCC[C@H]1OCC2 ZINC001319619380 1263714627 /nfs/dbraw/zinc/71/46/27/1263714627.db2.gz LAABIWYNXPUWDP-IYOUNJFTSA-N -1 3 365.478 0.688 10 0 FCAEHM CN1CC[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)[C@@H]1c1ccc(F)cc1 ZINC001319699561 1263721627 /nfs/dbraw/zinc/72/16/27/1263721627.db2.gz FKPLCVFSGZPKAL-HOCLYGCPSA-N -1 3 360.389 0.627 10 0 FCAEHM O=C(NC[C@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C1CC1)c1ncccc1[O-] ZINC001493533675 1263725610 /nfs/dbraw/zinc/72/56/10/1263725610.db2.gz JIRANNADMKUURP-UPJWGTAASA-N -1 3 355.398 0.939 10 0 FCAEHM CC[C@@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NCc1cc(=O)n2[n-]ccc2n1 ZINC001495026250 1263795061 /nfs/dbraw/zinc/79/50/61/1263795061.db2.gz IYWYBRXNGXYRDK-ODRUYCQJSA-N -1 3 371.441 0.430 10 0 FCAEHM CC[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)NC(=O)c1cnc[n-]c1=O ZINC001499240459 1264017526 /nfs/dbraw/zinc/01/75/26/1264017526.db2.gz AMCQGPDYKSZQOZ-MELADBBJSA-N -1 3 362.430 0.870 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC1(CNC(=O)[C@]23C[C@H]2COC3)CCCC1 ZINC001499528016 1264033538 /nfs/dbraw/zinc/03/35/38/1264033538.db2.gz ZNPJKOTUSSIVFK-SGTLLEGYSA-N -1 3 360.414 0.686 10 0 FCAEHM C[C@@H](CNC(=O)c1cnc[n-]c1=O)CNC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001500245032 1264059677 /nfs/dbraw/zinc/05/96/77/1264059677.db2.gz HJVWRDUUWPLLBA-KWCYVHTRSA-N -1 3 355.398 0.863 10 0 FCAEHM Cn1cncc1[C@@H]1C[C@H]1C(=O)NC1(CNC(=O)c2cnc[n-]c2=O)CC1 ZINC001506116372 1264294243 /nfs/dbraw/zinc/29/42/43/1264294243.db2.gz TWXSAIZWWPLFKW-GHMZBOCLSA-N -1 3 356.386 0.098 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H](C)NCc1cc(=O)n2[n-]ccc2n1 ZINC001507103259 1264352878 /nfs/dbraw/zinc/35/28/78/1264352878.db2.gz FJHIOAHLVDOWBS-CFVMTHIKSA-N -1 3 361.446 0.774 10 0 FCAEHM Cn1[n-]c(CNC[C@@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C(C)(C)C)nc1=O ZINC001507984861 1264390501 /nfs/dbraw/zinc/39/05/01/1264390501.db2.gz PIASRASUYVPKDQ-RMRHIDDWSA-N -1 3 365.478 0.544 10 0 FCAEHM CCC[C@@H]1C[C@H]1C(=O)N[C@H](CO)CNC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC001510940023 1264519360 /nfs/dbraw/zinc/51/93/60/1264519360.db2.gz GKQSOMSQBCPRKS-VNHYZAJKSA-N -1 3 364.446 0.371 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N(C)C[C@H](O)CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001511592199 1264564859 /nfs/dbraw/zinc/56/48/59/1264564859.db2.gz GCWWXFRXONAUHQ-HZSPNIEDSA-N -1 3 362.430 0.476 10 0 FCAEHM COCCn1nc(C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)ccc1=O ZINC001324253013 1264604894 /nfs/dbraw/zinc/60/48/94/1264604894.db2.gz WXLIKIVXUBFIMR-UHFFFAOYSA-N -1 3 373.369 0.038 10 0 FCAEHM C[C@@H](CCCCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)NC(=O)c1cn[n-]n1 ZINC001512688602 1264642054 /nfs/dbraw/zinc/64/20/54/1264642054.db2.gz OJPVLBLPDSXVNP-PWNZVWSESA-N -1 3 365.434 0.261 10 0 FCAEHM C[C@H](OCC1CC1)C(=O)N1CC[C@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@H]21 ZINC001512781455 1264650418 /nfs/dbraw/zinc/65/04/18/1264650418.db2.gz LJOJWRKSBGQMBR-CORIIIEPSA-N -1 3 360.414 0.670 10 0 FCAEHM Cn1cc([C@@H]2C[C@H]2C(=O)N2CC[C@](C)(CNCc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001324789661 1264700816 /nfs/dbraw/zinc/70/08/16/1264700816.db2.gz NVNLEKVFZCNPAU-OGHNNQOOSA-N -1 3 359.434 0.376 10 0 FCAEHM CCC1(C(=O)N[C@@H]2CN(C(=O)c3ccc4c(c3)C(=O)[N-]C4=O)C[C@H]2O)CC1 ZINC001513050795 1264892050 /nfs/dbraw/zinc/89/20/50/1264892050.db2.gz GSOIINISVDJCCI-ZIAGYGMSSA-N -1 3 371.393 0.062 10 0 FCAEHM C[C@@H]1C[C@]2(CC[C@@H](CNC(=O)C(=O)NCc3ccc([O-])c(F)c3)O2)CO1 ZINC001333057291 1266530809 /nfs/dbraw/zinc/53/08/09/1266530809.db2.gz PZCHTUFVAZKHST-SUFBMKPHSA-N -1 3 366.389 0.990 10 0 FCAEHM C[C@@H]1C[C@@]2(CC[C@H](CNC(=O)C(=O)NCc3ccc([O-])c(F)c3)O2)CO1 ZINC001333057290 1266531443 /nfs/dbraw/zinc/53/14/43/1266531443.db2.gz PZCHTUFVAZKHST-BVRBVLIYSA-N -1 3 366.389 0.990 10 0 FCAEHM O=C(NCCNC(=O)[C@@H]1CCO[C@H]1C1CC1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001522776764 1266581148 /nfs/dbraw/zinc/58/11/48/1266581148.db2.gz QJODYTJIFMRUGU-HIFRSBDPSA-N -1 3 371.393 0.231 10 0 FCAEHM COc1nccc(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)n1 ZINC001523787528 1266661223 /nfs/dbraw/zinc/66/12/23/1266661223.db2.gz CUCWVEQDZVYEBQ-UHFFFAOYSA-N -1 3 372.353 0.472 10 0 FCAEHM Cn1nccc1[C@@H]1C[C@H]1C(=O)N[C@H](CNC(=O)c1cnc[n-]c1=O)C1CC1 ZINC001524444036 1266706175 /nfs/dbraw/zinc/70/61/75/1266706175.db2.gz AXRCFRVLBNSJMI-YRGRVCCFSA-N -1 3 370.413 0.344 10 0 FCAEHM Cn1nccc1[C@@H]1C[C@H]1C(=O)N[C@@H](CNC(=O)c1cnc[n-]c1=O)C1CC1 ZINC001524444034 1266706624 /nfs/dbraw/zinc/70/66/24/1266706624.db2.gz AXRCFRVLBNSJMI-BZPMIXESSA-N -1 3 370.413 0.344 10 0 FCAEHM Cc1nc(C)c(CCC(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)c(=O)[n-]1 ZINC001526641126 1266826385 /nfs/dbraw/zinc/82/63/85/1266826385.db2.gz GHNKEOGJVOVGIK-MRXNPFEDSA-N -1 3 369.443 0.148 10 0 FCAEHM O=C(CN1CCN(c2ccccn2)CC1)N1CCC(Cc2nnn[n-]2)CC1 ZINC001528799752 1266997531 /nfs/dbraw/zinc/99/75/31/1266997531.db2.gz RTZMSZZZZXAXFU-UHFFFAOYSA-N -1 3 370.461 0.198 10 0 FCAEHM O=C(CN1CCN(c2ccccn2)CC1)N1CCC(Cc2nn[n-]n2)CC1 ZINC001528799752 1266997539 /nfs/dbraw/zinc/99/75/39/1266997539.db2.gz RTZMSZZZZXAXFU-UHFFFAOYSA-N -1 3 370.461 0.198 10 0 FCAEHM CO[C@@H]1CN(C(=O)NC[C@@H]2CCN2C2CCOCC2)[C@@](C)(C(=O)[O-])C1 ZINC001334450108 1267008254 /nfs/dbraw/zinc/00/82/54/1267008254.db2.gz XJTKTMCVLSOYRD-GRDNDAEWSA-N -1 3 355.435 0.513 10 0 FCAEHM C[C@@H](CNC(=O)c1cccc2n[n-]nc21)CNC(=O)[C@H]1OCCO[C@H]1C ZINC001532245069 1267162159 /nfs/dbraw/zinc/16/21/59/1267162159.db2.gz FJLHTIQZPRPDRJ-PGUXBMHVSA-N -1 3 361.402 0.244 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)NC[C@H](C)CNC(=O)[C@]12C[C@H]1COC2 ZINC001532260760 1267164404 /nfs/dbraw/zinc/16/44/04/1267164404.db2.gz JUYXXNIIIVIMAL-FNFWKMNBSA-N -1 3 362.430 0.328 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)NC[C@@H](C)CNC(=O)[C@]12C[C@H]1COC2 ZINC001532260761 1267164803 /nfs/dbraw/zinc/16/48/03/1267164803.db2.gz JUYXXNIIIVIMAL-YNKQFZHNSA-N -1 3 362.430 0.328 10 0 FCAEHM CCCC[C@@H](CNC(=O)[C@]12C[C@H]1COC2)NC(=O)c1c(C)nc[n-]c1=O ZINC001334848209 1267199545 /nfs/dbraw/zinc/19/95/45/1267199545.db2.gz XQNNTWNYHNDLHW-LXIYXOSZSA-N -1 3 362.430 0.932 10 0 FCAEHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@H](O)CNC(=O)c1cnc[n-]c1=O ZINC001533268534 1267203872 /nfs/dbraw/zinc/20/38/72/1267203872.db2.gz ITNWRTQGDZXVLS-SDDRHHMPSA-N -1 3 350.419 0.461 10 0 FCAEHM CCn1ncc(CNC(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)n1 ZINC001334908746 1267227309 /nfs/dbraw/zinc/22/73/09/1267227309.db2.gz YNKIIFUFVXPXOT-UHFFFAOYSA-N -1 3 370.410 0.808 10 0 FCAEHM C[C@H](CNC(=O)CC[C@@H]1CC[C@H](C(F)(F)F)O1)NC(=O)c1cn[n-]n1 ZINC001533808724 1267240723 /nfs/dbraw/zinc/24/07/23/1267240723.db2.gz JYJUOUYQNNLFDI-WCABBAIRSA-N -1 3 363.340 0.929 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H](COC(C)C)NC(=O)OC(C)(C)C ZINC001542942356 1267513444 /nfs/dbraw/zinc/51/34/44/1267513444.db2.gz YYGKMSNHESBUNU-OLZOCXBDSA-N -1 3 370.450 0.933 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H](C[C@@H]1COCCO1)C(F)(F)F ZINC001542942193 1267514054 /nfs/dbraw/zinc/51/40/54/1267514054.db2.gz SOGKLBQVJOSZFZ-MXWKQRLJSA-N -1 3 351.325 0.599 10 0 FCAEHM CS(=O)(=O)Cc1nc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)co1 ZINC001543015275 1267518863 /nfs/dbraw/zinc/51/88/63/1267518863.db2.gz CBOGSWLTFXMJAL-UHFFFAOYSA-N -1 3 373.412 0.843 10 0 FCAEHM Cn1cc([C@@H](CO)NC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])cn1 ZINC001547439740 1267670624 /nfs/dbraw/zinc/67/06/24/1267670624.db2.gz ICVPOPVMHBTNAF-CYBMUJFWSA-N -1 3 373.344 0.071 10 0 FCAEHM Cn1cc([C@@H](CO)NC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)cn1 ZINC001547439740 1267670631 /nfs/dbraw/zinc/67/06/31/1267670631.db2.gz ICVPOPVMHBTNAF-CYBMUJFWSA-N -1 3 373.344 0.071 10 0 FCAEHM COCC(C)(C)CC(=O)N1CC[C@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@H]21 ZINC001341104133 1268786226 /nfs/dbraw/zinc/78/62/26/1268786226.db2.gz UKYPREVOMJOSOF-GXTWGEPZSA-N -1 3 362.430 0.918 10 0 FCAEHM CCN(CCNC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)CCC(F)(F)F ZINC001556177230 1268825289 /nfs/dbraw/zinc/82/52/89/1268825289.db2.gz WZLZTYVANWCJAD-UHFFFAOYSA-N -1 3 352.313 0.901 10 0 FCAEHM CN1C(=O)CO[C@H](C(=O)N2CCc3c(nc[n-]c3=O)C2)[C@H]1c1cccnc1 ZINC001556191780 1268828232 /nfs/dbraw/zinc/82/82/32/1268828232.db2.gz QVAJQVDSBITUKH-CVEARBPZSA-N -1 3 369.381 0.060 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)C=Cc2ccco2)C1 ZINC001341203114 1268855575 /nfs/dbraw/zinc/85/55/75/1268855575.db2.gz QLDCYQCPWSDNLO-IJWDBEHRSA-N -1 3 358.354 0.099 10 0 FCAEHM CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1nc(C)cc(=O)[n-]1 ZINC001557322089 1268944174 /nfs/dbraw/zinc/94/41/74/1268944174.db2.gz WXGDNZZHNMXGRP-GFCCVEGCSA-N -1 3 368.390 0.563 10 0 FCAEHM CCS(=O)(=O)N(C)CC(=O)Nc1cc(C(=O)OC)cc(OC)c1[O-] ZINC001558677367 1269129982 /nfs/dbraw/zinc/12/99/82/1269129982.db2.gz NZLWDEBCZUBPAB-UHFFFAOYSA-N -1 3 360.388 0.407 10 0 FCAEHM C[C@@H](NCc1nc2c(c(=O)[n-]1)COCC2)c1cccc(S(N)(=O)=O)c1 ZINC001559708381 1269173777 /nfs/dbraw/zinc/17/37/77/1269173777.db2.gz RAOAMTAVVQDEFW-SNVBAGLBSA-N -1 3 364.427 0.753 10 0 FCAEHM NS(=O)(=O)NC1CCN(Cc2nnc(-c3ccccc3[O-])o2)CC1 ZINC001560057173 1269184715 /nfs/dbraw/zinc/18/47/15/1269184715.db2.gz ITAIHGRAFDSCFH-UHFFFAOYSA-N -1 3 353.404 0.200 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)CN1C(=S)N=NC1c1cccs1 ZINC001565611968 1269481412 /nfs/dbraw/zinc/48/14/12/1269481412.db2.gz YCPBBLWQJZVZRU-SECBINFHSA-N -1 3 364.456 0.924 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C=CC(=O)Nc1ccc2n[nH]cc2c1 ZINC001565612236 1269482784 /nfs/dbraw/zinc/48/27/84/1269482784.db2.gz HTMVJTVINNTTQO-DSYXLKISSA-N -1 3 354.370 0.686 10 0 FCAEHM COc1nnc(NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)[n-]1 ZINC001566427888 1269643173 /nfs/dbraw/zinc/64/31/73/1269643173.db2.gz IDBJMTVJDBZSKH-UHFFFAOYSA-N -1 3 361.383 0.884 10 0 FCAEHM COc1nc(NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)n[n-]1 ZINC001566427888 1269643178 /nfs/dbraw/zinc/64/31/78/1269643178.db2.gz IDBJMTVJDBZSKH-UHFFFAOYSA-N -1 3 361.383 0.884 10 0 FCAEHM COc1n[n-]c(NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)n1 ZINC001566427888 1269643189 /nfs/dbraw/zinc/64/31/89/1269643189.db2.gz IDBJMTVJDBZSKH-UHFFFAOYSA-N -1 3 361.383 0.884 10 0 FCAEHM CN(CCNC(=O)c1cnncc1[O-])S(=O)(=O)c1ccc(F)cc1 ZINC001568360944 1269729556 /nfs/dbraw/zinc/72/95/56/1269729556.db2.gz OTUYLYCQVAFSLV-UHFFFAOYSA-N -1 3 354.363 0.372 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1CC(CCO)(NC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001571885219 1269971906 /nfs/dbraw/zinc/97/19/06/1269971906.db2.gz XRQDUJDBLGWSOV-QWHCGFSZSA-N -1 3 360.414 0.230 10 0 FCAEHM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CC(CCO)(NC(=O)c2cnc[n-]c2=O)C1 ZINC001571885940 1269972761 /nfs/dbraw/zinc/97/27/61/1269972761.db2.gz WEXGKMNDPBLGEE-DGCLKSJQSA-N -1 3 362.430 0.558 10 0 FCAEHM CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cn[n-]n1)N1CCCC1=O ZINC001344104028 1270096709 /nfs/dbraw/zinc/09/67/09/1270096709.db2.gz KDSQATCCGYWGLB-BZPMIXESSA-N -1 3 362.434 0.363 10 0 FCAEHM O=C(NCCC1(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1)c1cnc[n-]c1=O ZINC001572715838 1270112266 /nfs/dbraw/zinc/11/22/66/1270112266.db2.gz BQJYNKYGANUCIO-BZPMIXESSA-N -1 3 360.414 0.766 10 0 FCAEHM CCCC[C@@](C)(F)C(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1O ZINC001572830028 1270211344 /nfs/dbraw/zinc/21/13/44/1270211344.db2.gz MMQMGIGCXVOGPP-PSTGCABASA-N -1 3 368.409 0.711 10 0 FCAEHM Cc1nc(C)c(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H](F)C(C)C)C2)c(=O)[n-]1 ZINC001572845049 1270246055 /nfs/dbraw/zinc/24/60/55/1270246055.db2.gz KLXMSRDAXBWYBA-NFAWXSAZSA-N -1 3 368.409 0.024 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)CCc2c[nH]cn2)CCN1C(=O)c1cnc[n-]c1=O ZINC001344849494 1270259671 /nfs/dbraw/zinc/25/96/71/1270259671.db2.gz YCABOOCFANROOR-UONOGXRCSA-N -1 3 358.402 0.647 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)CCc2c(C)nc[n-]c2=O)CCN1C(=O)CCOC ZINC001344873195 1270265173 /nfs/dbraw/zinc/26/51/73/1270265173.db2.gz GGMCQOUOOBWJHF-LSDHHAIUSA-N -1 3 364.446 0.955 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CN(C(=O)[C@H](C)OCC2CC2)C[C@H]1C ZINC001572919074 1270348413 /nfs/dbraw/zinc/34/84/13/1270348413.db2.gz XDADJNOIKHLPDA-SCDSUCTJSA-N -1 3 362.430 0.882 10 0 FCAEHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1c(C)nc[n-]c1=O ZINC001573073771 1270595180 /nfs/dbraw/zinc/59/51/80/1270595180.db2.gz RIMBKEUZVJUOGU-CYZMBNFOSA-N -1 3 363.418 0.172 10 0 FCAEHM O=C(CCCNC(=O)C1CC1)N[C@@H]1CCCC[C@H]1NC(=O)c1cn[n-]n1 ZINC001573089049 1270605923 /nfs/dbraw/zinc/60/59/23/1270605923.db2.gz KWRXYMMWAPHPHC-CHWSQXEVSA-N -1 3 362.434 0.268 10 0 FCAEHM CNC(=O)CCCC(=O)N[C@@H]1CC[C@H](CNC(=O)c2cnc[n-]c2=O)C1 ZINC001573181572 1270641281 /nfs/dbraw/zinc/64/12/81/1270641281.db2.gz VLGRGNUPPWHEPK-NWDGAFQWSA-N -1 3 363.418 0.113 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)[C@H](C)NC(C)=O)CCN1C(=O)c1c(C)nc[n-]c1=O ZINC001573258422 1270711756 /nfs/dbraw/zinc/71/17/56/1270711756.db2.gz MGLBVBPWHWLGGL-WCFLWFBJSA-N -1 3 363.418 0.125 10 0 FCAEHM C[C@@H]1CN(C(=O)Cc2cncnc2)C[C@H]1CCNC(=O)c1cnc[n-]c1=O ZINC001574002539 1270985379 /nfs/dbraw/zinc/98/53/79/1270985379.db2.gz HYDAJRLMRXAPPO-TZMCWYRMSA-N -1 3 370.413 0.429 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1CCNC(=O)c1cnc[n-]c1=O ZINC001574002956 1270985556 /nfs/dbraw/zinc/98/55/56/1270985556.db2.gz PZVPEVKEOOKJSC-VXGBXAGGSA-N -1 3 358.402 0.444 10 0 FCAEHM COc1ccc(C=O)c(OCC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)c1 ZINC001603293918 1287347537 /nfs/dbraw/zinc/34/75/37/1287347537.db2.gz ZZRDKYGQHNFNIP-CYBMUJFWSA-N -1 3 372.381 0.777 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccc(Cn2ccnn2)cc1 ZINC001603292549 1287348282 /nfs/dbraw/zinc/34/82/82/1287348282.db2.gz RCVCCYSZPFPMHV-HNNXBMFYSA-N -1 3 365.397 0.831 10 0 FCAEHM CCC1(NCc2n[nH]c(=O)[n-]2)CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001717238722 1287413508 /nfs/dbraw/zinc/41/35/08/1287413508.db2.gz GYQHFMDQJYVEKD-JYKNGBAOSA-N -1 3 361.446 0.795 10 0 FCAEHM O=C(NC1(CCO)CN(C(=O)c2ccccc2[O-])C1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001718217496 1287480415 /nfs/dbraw/zinc/48/04/15/1287480415.db2.gz AZWFRGSTUDXXJO-ZIAGYGMSSA-N -1 3 370.409 0.612 10 0 FCAEHM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1cccc2n[n-]nc21 ZINC001583001742 1282061963 /nfs/dbraw/zinc/06/19/63/1282061963.db2.gz NHDNNKRGZPZALQ-CYZMBNFOSA-N -1 3 359.430 0.847 10 0 FCAEHM CN(C)S(=O)(=O)c1ccc(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)cc1 ZINC001583363729 1282082367 /nfs/dbraw/zinc/08/23/67/1282082367.db2.gz JGSBJQVYPBYAPA-UHFFFAOYSA-N -1 3 368.440 0.651 10 0 FCAEHM C[C@]1(c2cccc(C(=O)N3CC[C@@H](c4cc(=O)[nH][n-]4)C3)c2)NC(=O)NC1=O ZINC001583357307 1282082656 /nfs/dbraw/zinc/08/26/56/1282082656.db2.gz HOOIASXQNBTSSJ-ADLMAVQZSA-N -1 3 369.381 0.800 10 0 FCAEHM COCCN(CC(=O)NCc1cc(=O)[n-]c(=S)[nH]1)C(=O)OC(C)(C)C ZINC001583369323 1282085779 /nfs/dbraw/zinc/08/57/79/1282085779.db2.gz RTVKVLXGHFAJLW-UHFFFAOYSA-N -1 3 372.447 0.971 10 0 FCAEHM CCOC(Cn1cc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)nn1)OCC ZINC001631824980 1282116801 /nfs/dbraw/zinc/11/68/01/1282116801.db2.gz CGXIABSOKWEHME-LLVKDONJSA-N -1 3 364.406 0.736 10 0 FCAEHM NS(=O)(=O)c1ccc(CCC(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)cc1 ZINC001631826197 1282118981 /nfs/dbraw/zinc/11/89/81/1282118981.db2.gz MEPUGWLFSKLSKE-LBPRGKRZSA-N -1 3 364.427 0.711 10 0 FCAEHM CC(C)CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001631833167 1282120545 /nfs/dbraw/zinc/12/05/45/1282120545.db2.gz UJXLHWMYRXWBGJ-SWLSCSKDSA-N -1 3 374.445 0.928 10 0 FCAEHM COCCn1cc(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)c(=O)cc1C ZINC001631842610 1282121588 /nfs/dbraw/zinc/12/15/88/1282121588.db2.gz PKEBEAJHVYHPAY-UHFFFAOYSA-N -1 3 350.400 0.517 10 0 FCAEHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)c1cnn2c1[nH]c(=O)c1ccccc12 ZINC001631842566 1282123412 /nfs/dbraw/zinc/12/34/12/1282123412.db2.gz NJCYZAPOEZICFM-UHFFFAOYSA-N -1 3 368.378 0.890 10 0 FCAEHM CNC(=O)C1(NC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])CCCC1 ZINC001631881159 1282129939 /nfs/dbraw/zinc/12/99/39/1282129939.db2.gz SNYDXKZEVUQBFM-UHFFFAOYSA-N -1 3 374.372 0.663 10 0 FCAEHM CNC(=O)C1(NC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)CCCC1 ZINC001631881159 1282129952 /nfs/dbraw/zinc/12/99/52/1282129952.db2.gz SNYDXKZEVUQBFM-UHFFFAOYSA-N -1 3 374.372 0.663 10 0 FCAEHM CN1CCN(C(C)(C)CNC(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)CC1 ZINC001632725514 1282200399 /nfs/dbraw/zinc/20/03/99/1282200399.db2.gz ZSSHUZRFDZQYDF-UHFFFAOYSA-N -1 3 374.445 0.022 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C ZINC001585158950 1282206984 /nfs/dbraw/zinc/20/69/84/1282206984.db2.gz YLMHFLQRQAUWKJ-QWRGUYRKSA-N -1 3 356.448 0.925 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(NS(C)(=O)=O)cc1Cl ZINC001585162988 1282207276 /nfs/dbraw/zinc/20/72/76/1282207276.db2.gz CTBYEXISTYVQBN-JTQLQIEISA-N -1 3 372.834 0.953 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NC[C@@H](O)CN(C)C(=O)Cc1c(C)nc(C)[n-]c1=O ZINC001718759872 1287556653 /nfs/dbraw/zinc/55/66/53/1287556653.db2.gz AJRYICQVQYATDM-UMVBOHGHSA-N -1 3 364.446 0.323 10 0 FCAEHM CC(=O)Nc1ccccc1C(F)(F)C(=O)[N-][C@H](CO)c1nncn1C ZINC001585237560 1282217002 /nfs/dbraw/zinc/21/70/02/1282217002.db2.gz SSYWALMXUKXTBQ-GFCCVEGCSA-N -1 3 353.329 0.715 10 0 FCAEHM CS(=O)(=O)N[C@@H]1CCN(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)C1 ZINC001585857874 1282247745 /nfs/dbraw/zinc/24/77/45/1282247745.db2.gz MHUYNBIFKCMCLF-SECBINFHSA-N -1 3 369.830 0.945 10 0 FCAEHM CCOC(=O)[C@@H]1CCCN(CC(=O)N(Cc2nn[n-]n2)CC(C)C)C1 ZINC001633524478 1282250583 /nfs/dbraw/zinc/25/05/83/1282250583.db2.gz UCWABVCAOYSFFB-CYBMUJFWSA-N -1 3 352.439 0.459 10 0 FCAEHM O=C(CNC(=O)c1ccc(Br)o1)NCCCc1c[n-][nH]c1=O ZINC001585933773 1282256946 /nfs/dbraw/zinc/25/69/46/1282256946.db2.gz LTXRGXGCYWFVQR-QMMMGPOBSA-N -1 3 371.191 0.400 10 0 FCAEHM C[C@@]1(CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CCN(C(=O)c2cnc[n-]c2=O)C1 ZINC001586008708 1282266867 /nfs/dbraw/zinc/26/68/67/1282266867.db2.gz MAVUEILVSPCDLV-AEVLCDIHSA-N -1 3 374.441 0.966 10 0 FCAEHM C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NCCCc1c[n-][nH]c1=O ZINC001634143051 1282303389 /nfs/dbraw/zinc/30/33/89/1282303389.db2.gz CMTGBZPZMBZPCG-RYUDHWBXSA-N -1 3 369.418 0.864 10 0 FCAEHM Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)NCCc2n[n-]c(=S)o2)cn1 ZINC001634591151 1282337771 /nfs/dbraw/zinc/33/77/71/1282337771.db2.gz SKCCCGCQKBLMIY-NWDGAFQWSA-N -1 3 350.448 0.486 10 0 FCAEHM O=C([N-]CC[C@H]1CN(C(=O)C2(O)COC2)c2ccccc21)C(F)(F)F ZINC001587585314 1282365509 /nfs/dbraw/zinc/36/55/09/1282365509.db2.gz IMBPTPKJGGIPBB-JTQLQIEISA-N -1 3 358.316 0.947 10 0 FCAEHM Cc1cc(C)n(CC(=O)N2CCN(c3nc(C)cc(=O)[n-]3)CC2)c(=O)n1 ZINC001634977108 1282368851 /nfs/dbraw/zinc/36/88/51/1282368851.db2.gz AHRRTKFALANESQ-UHFFFAOYSA-N -1 3 358.402 0.013 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N(C)C[C@H](O)CN2CCOCC2)c1 ZINC001587654615 1282372353 /nfs/dbraw/zinc/37/23/53/1282372353.db2.gz MTFIBQCNPYARDY-AWEZNQCLSA-N -1 3 363.414 0.282 10 0 FCAEHM NC(=O)CCC(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001635060766 1282374809 /nfs/dbraw/zinc/37/48/09/1282374809.db2.gz HUTBLORQNUTOSH-UHFFFAOYSA-N -1 3 368.242 0.653 10 0 FCAEHM COC(=O)[C@@H](CCC1OCCO1)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC001587980272 1282392309 /nfs/dbraw/zinc/39/23/09/1282392309.db2.gz BBHNJJXTDJHIMU-SNVBAGLBSA-N -1 3 352.322 0.522 10 0 FCAEHM CO[C@@H]1COCC[C@@H]1CNC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001635478965 1282410253 /nfs/dbraw/zinc/41/02/53/1282410253.db2.gz UJKDGRQZFHKKON-FRRDWIJNSA-N -1 3 351.407 0.112 10 0 FCAEHM Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001635658340 1282423328 /nfs/dbraw/zinc/42/33/28/1282423328.db2.gz QSWNNBHHBHLBDY-UHFFFAOYSA-N -1 3 372.381 0.429 10 0 FCAEHM CNS(=O)(=O)c1ccc(CCNC(=O)c2ccc(O)cc2[O-])cc1 ZINC001635790219 1282433660 /nfs/dbraw/zinc/43/36/60/1282433660.db2.gz LALAAFPMZLOPQD-UHFFFAOYSA-N -1 3 350.396 0.978 10 0 FCAEHM C[C@H](NC(=O)c1cnn(C)c1-n1cnnc1)c1nc(C(F)(F)F)n[n-]1 ZINC001636092472 1282459439 /nfs/dbraw/zinc/45/94/39/1282459439.db2.gz PTNPXAHWDGNNFQ-LURJTMIESA-N -1 3 355.284 0.629 10 0 FCAEHM O=C(CNC(=O)c1cccc(O)c1)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001636855199 1282542095 /nfs/dbraw/zinc/54/20/95/1282542095.db2.gz LRLDQEQPWHHWGA-LBPRGKRZSA-N -1 3 357.370 0.013 10 0 FCAEHM COc1cc(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)cc(OC)c1O ZINC001636855173 1282542911 /nfs/dbraw/zinc/54/29/11/1282542911.db2.gz KXCQEIFFQDTSEW-LLVKDONJSA-N -1 3 360.370 0.914 10 0 FCAEHM CCN(CC)CC(=O)Nc1cccc(NC(=O)Cn2c(=O)[n-][nH]c2=O)c1 ZINC001637125036 1282565961 /nfs/dbraw/zinc/56/59/61/1282565961.db2.gz QONXSCIWSBWTPA-UHFFFAOYSA-N -1 3 362.390 0.608 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](CNS(C)(=O)=O)C2)c1 ZINC001637515662 1282601813 /nfs/dbraw/zinc/60/18/13/1282601813.db2.gz FPNBJHUUJLFCTH-LLVKDONJSA-N -1 3 367.427 0.528 10 0 FCAEHM COCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC001638205027 1282673623 /nfs/dbraw/zinc/67/36/23/1282673623.db2.gz WLLLPQGDBIKVKU-LBPRGKRZSA-N -1 3 356.423 0.689 10 0 FCAEHM CNC(=O)[C@@H]1CCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C1 ZINC001638449186 1282697483 /nfs/dbraw/zinc/69/74/83/1282697483.db2.gz KFKVYYQELMYALZ-LLVKDONJSA-N -1 3 369.418 0.475 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)c3cccc4nc(CO)[nH]c43)CC2)n1 ZINC001638493680 1282702332 /nfs/dbraw/zinc/70/23/32/1282702332.db2.gz XKUHBDKJOVMIQF-UHFFFAOYSA-N -1 3 368.397 0.822 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)c2csc(S(C)(=O)=O)c2)[n-]1 ZINC001638577985 1282706890 /nfs/dbraw/zinc/70/68/90/1282706890.db2.gz NHFNNTKOASVQNP-UHFFFAOYSA-N -1 3 358.401 0.376 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](c3cnccn3)C2)c(C)o1 ZINC001639250394 1282763890 /nfs/dbraw/zinc/76/38/90/1282763890.db2.gz FRAMHFKVFCLEAS-LLVKDONJSA-N -1 3 350.400 0.916 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCc2cn(C3CCC3)nn2)ccc1F ZINC001639564386 1282794663 /nfs/dbraw/zinc/79/46/63/1282794663.db2.gz SILDKFPJPHUKEE-UHFFFAOYSA-N -1 3 367.406 0.980 10 0 FCAEHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)C2CCC3(CC2)NC(=O)NC3=O)n1 ZINC001639606063 1282797321 /nfs/dbraw/zinc/79/73/21/1282797321.db2.gz FLDBFBFMNCBCQV-UHFFFAOYSA-N -1 3 361.402 0.610 10 0 FCAEHM O=C(N[C@H](CO)C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1)OCc1ccccc1 ZINC001639639798 1282799717 /nfs/dbraw/zinc/79/97/17/1282799717.db2.gz IVBXUABRBLJMMC-DZGCQCFKSA-N -1 3 374.397 0.719 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)CC2)n[n-]1 ZINC001639810399 1282816542 /nfs/dbraw/zinc/81/65/42/1282816542.db2.gz SRVVETPGXUDZQR-NEPJUHHUSA-N -1 3 363.418 0.589 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)CC2)[n-]1 ZINC001639810399 1282816556 /nfs/dbraw/zinc/81/65/56/1282816556.db2.gz SRVVETPGXUDZQR-NEPJUHHUSA-N -1 3 363.418 0.589 10 0 FCAEHM COC(=O)c1ccc(C=CC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)o1 ZINC001640110236 1282839077 /nfs/dbraw/zinc/83/90/77/1282839077.db2.gz NPBPGQYEWZHFPN-MZBZXASESA-N -1 3 358.354 0.970 10 0 FCAEHM COc1cccn2ncc(C(=O)N[C@H]3CCN(c4cc(=O)[n-]cn4)C3)c12 ZINC001640109955 1282839315 /nfs/dbraw/zinc/83/93/15/1282839315.db2.gz KUWOHDACGLZACV-NSHDSACASA-N -1 3 354.370 0.847 10 0 FCAEHM COC(=O)c1ccc(CC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1 ZINC001640110921 1282840816 /nfs/dbraw/zinc/84/08/16/1282840816.db2.gz ZPWOUTRMAYNQTQ-AWEZNQCLSA-N -1 3 356.382 0.906 10 0 FCAEHM Cn1ncc2c1nc(CCC(=O)N1CC[C@H](c3cc(=O)[nH][n-]3)C1)[nH]c2=O ZINC001640595092 1282880041 /nfs/dbraw/zinc/88/00/41/1282880041.db2.gz NTJVWTCSVHULBG-VIFPVBQESA-N -1 3 357.374 0.446 10 0 FCAEHM C[C@H](NC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])c1nccc(N)n1 ZINC001641422429 1282946940 /nfs/dbraw/zinc/94/69/40/1282946940.db2.gz WZTCTIKVNNSRMW-VIFPVBQESA-N -1 3 370.344 0.737 10 0 FCAEHM C[C@H](NC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O)c1nccc(N)n1 ZINC001641422429 1282946954 /nfs/dbraw/zinc/94/69/54/1282946954.db2.gz WZTCTIKVNNSRMW-VIFPVBQESA-N -1 3 370.344 0.737 10 0 FCAEHM Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@H](CO)CNC(=O)c2cnc[n-]c2=O)c1 ZINC001680305678 1283410871 /nfs/dbraw/zinc/41/08/71/1283410871.db2.gz KQPWDIUTYWESKP-SOUVJXGZSA-N -1 3 370.409 0.501 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)NC[C@H](CO)NC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001680316996 1283413567 /nfs/dbraw/zinc/41/35/67/1283413567.db2.gz UUHYSJIPRANRIU-VHDGCEQUSA-N -1 3 362.430 0.063 10 0 FCAEHM C[S@@](=O)C1(CNC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)CCC1 ZINC001680640007 1283435328 /nfs/dbraw/zinc/43/53/28/1283435328.db2.gz HSEIQPHXCIWMMU-APXPCNQMSA-N -1 3 353.448 0.361 10 0 FCAEHM CN(C[C@@H](O)CNC(=O)c1ccccc1[O-])C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001680823874 1283449986 /nfs/dbraw/zinc/44/99/86/1283449986.db2.gz LQXXSHLFHMJCBN-AYMQEEERSA-N -1 3 362.426 0.756 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)NC[C@H]1C[C@H](O)C1 ZINC001682008030 1283523836 /nfs/dbraw/zinc/52/38/36/1283523836.db2.gz DJERGIYQVLTVKQ-HOMQSWHASA-N -1 3 363.386 0.313 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N1C[C@@H](NC(=O)[C@@H](F)C(C)C)[C@@H](O)C1 ZINC001683624125 1284066224 /nfs/dbraw/zinc/06/62/24/1284066224.db2.gz PXPVKKDUDOMMKE-IPYPFGDCSA-N -1 3 368.409 0.105 10 0 FCAEHM O=C(NCCc1ccc(CO)cc1)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001684556033 1284199779 /nfs/dbraw/zinc/19/97/79/1284199779.db2.gz JFMTZYMKONSZFI-OAHLLOKOSA-N -1 3 357.414 0.795 10 0 FCAEHM CCOCCO[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1O ZINC001719104974 1287740084 /nfs/dbraw/zinc/74/00/84/1287740084.db2.gz WPMFJSRRNYEFHI-XNRPHZJLSA-N -1 3 366.414 0.135 10 0 FCAEHM C[C@H](C(=O)NCc1nc(CNC(=O)[C@]23C[C@H]2COC3)cc(=O)[n-]1)C1CC1 ZINC001702604029 1285750144 /nfs/dbraw/zinc/75/01/44/1285750144.db2.gz IUNFEIGYBNCRRZ-RSNWOKGLSA-N -1 3 360.414 0.497 10 0 FCAEHM CN(C)C(=O)CC(=O)N1CC[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@@H]2C1 ZINC001702648281 1285768840 /nfs/dbraw/zinc/76/88/40/1285768840.db2.gz FHCUBBFWSSOLGU-KGLIPLIRSA-N -1 3 359.426 0.791 10 0 FCAEHM C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H](NC(=O)c2ccccc2[O-])[C@H]1C ZINC001702681789 1285784069 /nfs/dbraw/zinc/78/40/69/1285784069.db2.gz ILXMEXXTQNWGCE-SCRDCRAPSA-N -1 3 368.455 0.792 10 0 FCAEHM CCCOCC(=O)N1CC[C@H](NC(=O)Cc2c(C)nc(C)[n-]c2=O)[C@H]1C ZINC001702698943 1285794691 /nfs/dbraw/zinc/79/46/91/1285794691.db2.gz GSDRZTCDPXFYOZ-DOMZBBRYSA-N -1 3 364.446 0.874 10 0 FCAEHM COCC[C@H](C)C(=O)N1CC[C@H](NC(=O)c2c(C)nc[n-]c2=O)[C@H]1C ZINC001702720878 1285819370 /nfs/dbraw/zinc/81/93/70/1285819370.db2.gz YEPYYSFNWKZHGD-UHTWSYAYSA-N -1 3 350.419 0.882 10 0 FCAEHM CCOCCCC(=O)N1C[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@]2(C)C1 ZINC001702770946 1285848597 /nfs/dbraw/zinc/84/85/97/1285848597.db2.gz MLGAMJABEDTMAG-ACJLOTCBSA-N -1 3 362.430 0.919 10 0 FCAEHM C[C@@]1(CNC(=O)c2cnc[n-]c2=O)CN(C(=O)[C@@H]2C[C@H]2C2CC2)CCO1 ZINC001702876333 1285964028 /nfs/dbraw/zinc/96/40/28/1285964028.db2.gz BTBKIEOJTNBYND-VEVIJQCQSA-N -1 3 360.414 0.576 10 0 FCAEHM CCOCCOCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc[n-]c1=O)C2 ZINC001702932925 1286008494 /nfs/dbraw/zinc/00/84/94/1286008494.db2.gz ORWIVRMTGNDSSR-XBFCOCLRSA-N -1 3 364.402 0.097 10 0 FCAEHM O=C(N1CCC(Cc2nnn[n-]2)CC1)[C@]1(c2ccccc2)CCC(=O)NC1 ZINC001593921925 1286220683 /nfs/dbraw/zinc/22/06/83/1286220683.db2.gz YGQLUOIDJRRTAL-LJQANCHMSA-N -1 3 368.441 0.829 10 0 FCAEHM O=C(N1CCC(Cc2nn[n-]n2)CC1)[C@]1(c2ccccc2)CCC(=O)NC1 ZINC001593921925 1286220687 /nfs/dbraw/zinc/22/06/87/1286220687.db2.gz YGQLUOIDJRRTAL-LJQANCHMSA-N -1 3 368.441 0.829 10 0 FCAEHM Cc1nn(C)c(-n2cccn2)c1C(=O)N1CCC(Cc2nnn[n-]2)CC1 ZINC001593921325 1286220955 /nfs/dbraw/zinc/22/09/55/1286220955.db2.gz RYDBZPDTFKPWOS-UHFFFAOYSA-N -1 3 355.406 0.522 10 0 FCAEHM Cc1nn(C)c(-n2cccn2)c1C(=O)N1CCC(Cc2nn[n-]n2)CC1 ZINC001593921325 1286220962 /nfs/dbraw/zinc/22/09/62/1286220962.db2.gz RYDBZPDTFKPWOS-UHFFFAOYSA-N -1 3 355.406 0.522 10 0 FCAEHM COCCOc1cc(C(=O)N2CCN(c3nc(C)cc(=O)[n-]3)CC2)ccn1 ZINC001596360081 1286298358 /nfs/dbraw/zinc/29/83/58/1286298358.db2.gz BRMIEIBIYIPOHX-UHFFFAOYSA-N -1 3 373.413 0.873 10 0 FCAEHM CC(C)C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccnn1C)NC(=O)c1cn[n-]n1 ZINC001704798940 1286302282 /nfs/dbraw/zinc/30/22/82/1286302282.db2.gz GRPDZRNCGKSTGS-YNEHKIRRSA-N -1 3 359.434 0.603 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)c1cn[nH]c(=O)c1 ZINC001596983512 1286322632 /nfs/dbraw/zinc/32/26/32/1286322632.db2.gz WZEARGASSKABRQ-UHFFFAOYSA-N -1 3 362.820 0.605 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CC(N[C@H]2CCOC2)C1 ZINC001597702028 1286356773 /nfs/dbraw/zinc/35/67/73/1286356773.db2.gz YRKRBNGVEHYTJS-LBPRGKRZSA-N -1 3 353.444 0.651 10 0 FCAEHM C[C@@]1([N-]C(=O)C(F)F)CCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 ZINC001705378165 1286385335 /nfs/dbraw/zinc/38/53/35/1286385335.db2.gz SCZLWKWXAWADGT-RGNHYFCHSA-N -1 3 360.279 0.705 10 0 FCAEHM CO[C@@H]1CN(C(=O)CCOCC(C)C)C[C@H]1NC(=O)c1cnc[n-]c1=O ZINC001719233109 1287913305 /nfs/dbraw/zinc/91/33/05/1287913305.db2.gz OWPDCUPTSQOOPP-ZIAGYGMSSA-N -1 3 366.418 0.201 10 0 FCAEHM CO[C@@H]1CN(C(=O)CC(F)(F)C(F)(F)F)C[C@H]1NC(=O)c1cn[n-]n1 ZINC001719235841 1287919576 /nfs/dbraw/zinc/91/95/76/1287919576.db2.gz QZDKQUWKVCEQHA-HTQZYQBOSA-N -1 3 371.266 0.348 10 0 FCAEHM CCC[C@@H](CC)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1OC ZINC001719243307 1287935940 /nfs/dbraw/zinc/93/59/40/1287935940.db2.gz NRNZGIBDLZNEOP-MRVWCRGKSA-N -1 3 350.419 0.964 10 0 FCAEHM CC/C(C)=C/C(=O)N1C[C@@H](NC(=O)Cc2c(C)nc(C)[n-]c2=O)[C@@H](O)C1 ZINC001719274426 1287997210 /nfs/dbraw/zinc/99/72/10/1287997210.db2.gz HWCSPBLBCIJFKD-PHGPQXGHSA-N -1 3 362.430 0.386 10 0 FCAEHM CCC[C@@](C)(CC)C(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1 ZINC001719284516 1288027197 /nfs/dbraw/zinc/02/71/97/1288027197.db2.gz URQOMHGPKINXTA-IIYDPXPESA-N -1 3 350.419 0.700 10 0 FCAEHM CCO[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1CNC(=O)[C@H](F)CC ZINC001719492160 1288150476 /nfs/dbraw/zinc/15/04/76/1288150476.db2.gz XEVOWGMECAQPLH-JHJVBQTASA-N -1 3 368.409 0.832 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NCc1nc(CNC(=O)[C@H](C)COC)cc(=O)[n-]1 ZINC001719524376 1288167764 /nfs/dbraw/zinc/16/77/64/1288167764.db2.gz YDHNSPCNJXGDFH-NQBHXWOUSA-N -1 3 350.419 0.743 10 0 FCAEHM CCC(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@H]2C2CCOCC2)n1 ZINC001719524174 1288167744 /nfs/dbraw/zinc/16/77/44/1288167744.db2.gz UYCZTXDMEDHRAW-UONOGXRCSA-N -1 3 362.430 0.887 10 0 FCAEHM CCCOCC(=O)N1C[C@H]2CCN(C(=O)c3c(C)nc[n-]c3=O)C[C@H]2C1 ZINC001719569757 1288186607 /nfs/dbraw/zinc/18/66/07/1288186607.db2.gz HBWVFVMXHCDQQO-KGLIPLIRSA-N -1 3 362.430 0.838 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)N[C@H](CNC(=O)c1c(C)nc[n-]c1=O)C1CC1 ZINC001720751885 1288262805 /nfs/dbraw/zinc/26/28/05/1288262805.db2.gz RSZYACKZDQWZGI-KYOSRNDESA-N -1 3 362.430 0.930 10 0 FCAEHM CCCN(CCNC(=O)[C@@H]1CCO[C@H]1C1CC1)Cc1nc(=O)n(C)[n-]1 ZINC001731865935 1288569251 /nfs/dbraw/zinc/56/92/51/1288569251.db2.gz IUJSZEYCQBWSDL-HIFRSBDPSA-N -1 3 351.451 0.252 10 0 FCAEHM C[C@H](CNC(=O)c1cnc[n-]c1=O)N(C)C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001734776724 1288673849 /nfs/dbraw/zinc/67/38/49/1288673849.db2.gz LEGWNMMCNOLWIU-KWCYVHTRSA-N -1 3 355.398 0.958 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H](C)CN(C)C(=O)c1c(C)nc[n-]c1=O ZINC001735228029 1288707716 /nfs/dbraw/zinc/70/77/16/1288707716.db2.gz SPHACYRQOKEKRG-SUHUHFCYSA-N -1 3 350.419 0.882 10 0 FCAEHM O=C(N[C@@H](CO)CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)c1ccccc1[O-] ZINC001735277817 1288717548 /nfs/dbraw/zinc/71/75/48/1288717548.db2.gz LMLPFMKMVNVSNT-VNQPRFMTSA-N -1 3 362.426 0.662 10 0 FCAEHM C[C@H](NC(N)=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([N-]C(=O)C(C)(F)F)C1 ZINC001736613388 1289479525 /nfs/dbraw/zinc/47/95/25/1289479525.db2.gz BZBUMCRGPMXEOU-RRKCRQDMSA-N -1 3 360.283 0.204 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@@H](C)NCc1cc(=O)n2[n-]ccc2n1 ZINC001700754335 1289606489 /nfs/dbraw/zinc/60/64/89/1289606489.db2.gz QIQZJYJROCIDFB-XNJGSVPQSA-N -1 3 361.446 0.774 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)NC[C@H](C)N(C)C(=O)c1c(C)nc[n-]c1=O ZINC001701204943 1289637369 /nfs/dbraw/zinc/63/73/69/1289637369.db2.gz DFSIIWRJGTYDJV-SUHUHFCYSA-N -1 3 350.419 0.882 10 0 FCAEHM NC(=O)c1cc(NCC[N-]S(=O)(=O)c2ccc(F)cc2F)ncn1 ZINC001612291482 1289676034 /nfs/dbraw/zinc/67/60/34/1289676034.db2.gz PXYVAXYFIMIPQT-UHFFFAOYSA-N -1 3 357.342 0.244 10 0 FCAEHM C[C@@H](CN(C)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O)NC(=O)[C@]12C[C@H]1COC2 ZINC001738838194 1289738965 /nfs/dbraw/zinc/73/89/65/1289738965.db2.gz NSDJUHNAASGEAF-DKHZXNSXSA-N -1 3 371.393 0.183 10 0 FCAEHM CC(C)CO[C@@H](C)C(=O)N1C[C@@H]2CCN(C(=O)c3cnc[n-]c3=O)[C@@H]2C1 ZINC001702140721 1289742681 /nfs/dbraw/zinc/74/26/81/1289742681.db2.gz GDXALIVXYKXNQE-KCQAQPDRSA-N -1 3 362.430 0.916 10 0 FCAEHM O=C(NC[C@@H](CO)NC(=O)[C@@H]1C[C@H]1C1CCOCC1)c1ccccc1[O-] ZINC001738865963 1289742799 /nfs/dbraw/zinc/74/27/99/1289742799.db2.gz RYCXBZKVTPBKHB-CWRNSKLLSA-N -1 3 362.426 0.662 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(S(N)(=O)=O)cc(F)c1C ZINC001615963696 1289765834 /nfs/dbraw/zinc/76/58/34/1289765834.db2.gz RBCRSMZSRFTETJ-SNVBAGLBSA-N -1 3 356.379 0.023 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(Br)cc(N)c1N ZINC001615962321 1289766418 /nfs/dbraw/zinc/76/64/18/1289766418.db2.gz AILMJSWXXURYPF-QMMMGPOBSA-N -1 3 354.208 0.855 10 0 FCAEHM CS(=O)(=O)NC[C@@H]1CCCN(Cc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC001615954138 1289766589 /nfs/dbraw/zinc/76/65/89/1289766589.db2.gz LJKJQQPLADGRMW-NSHDSACASA-N -1 3 356.448 0.016 10 0 FCAEHM CCN1CCN([C@H](C)CNC(=O)c2nc[n-]c(=O)c2Br)CC1 ZINC001616218662 1289769982 /nfs/dbraw/zinc/76/99/82/1289769982.db2.gz ROCOSPQEMMISFV-SNVBAGLBSA-N -1 3 372.267 0.701 10 0 FCAEHM O=c1[n-]c(CN(CCC(F)(F)F)C[C@H](O)CO)nc2c1COCC2 ZINC001616198417 1289770367 /nfs/dbraw/zinc/77/03/67/1289770367.db2.gz NWHGIQXRDMLKJL-VIFPVBQESA-N -1 3 351.325 0.363 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N(C)C[C@H](O)CN(C)C(=O)[C@]12C[C@H]1CCC2 ZINC001739075762 1289795692 /nfs/dbraw/zinc/79/56/92/1289795692.db2.gz ODKFUFKVNHUSMM-FHSNZYRGSA-N -1 3 362.430 0.572 10 0 FCAEHM O=C(NCC(F)F)C(=O)N1C[C@@H]2CCN(C(=O)c3ccccc3[O-])[C@@H]2C1 ZINC001739363527 1289854913 /nfs/dbraw/zinc/85/49/13/1289854913.db2.gz SOSYIKKOHXYYMS-CMPLNLGQSA-N -1 3 367.352 0.446 10 0 FCAEHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCc1cccc2c1OC(F)(F)O2 ZINC001618136788 1289889286 /nfs/dbraw/zinc/88/92/86/1289889286.db2.gz AQEJPGMTPBLSPZ-UHFFFAOYSA-N -1 3 354.269 0.764 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(C(=O)/C=C/Cn3cncn3)CC2)n[n-]1 ZINC001618407903 1289904313 /nfs/dbraw/zinc/90/43/13/1289904313.db2.gz DDKAAKYNWLACIM-ONEGZZNKSA-N -1 3 359.390 0.535 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(C(=O)/C=C/Cn3cncn3)CC2)[n-]1 ZINC001618407903 1289904317 /nfs/dbraw/zinc/90/43/17/1289904317.db2.gz DDKAAKYNWLACIM-ONEGZZNKSA-N -1 3 359.390 0.535 10 0 FCAEHM C[C@@H]1CN(C(=O)CNC(=O)C2CC2)C[C@H]1NC(=O)c1cccc2n[n-]nc21 ZINC001702252581 1289915222 /nfs/dbraw/zinc/91/52/22/1289915222.db2.gz UOGXCRSDIPDCJB-QMTHXVAHSA-N -1 3 370.413 0.061 10 0 FCAEHM C[C@@H](CC(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C)n1cccn1 ZINC001702285221 1289963352 /nfs/dbraw/zinc/96/33/52/1289963352.db2.gz OFKSSZZTTOTGOW-MBNYWOFBSA-N -1 3 358.402 0.607 10 0 FCAEHM CC(C)COCCC(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001739488952 1290068500 /nfs/dbraw/zinc/06/85/00/1290068500.db2.gz CCBLRMFPSAQSTN-TZMCWYRMSA-N -1 3 350.419 0.822 10 0 FCAEHM CCCC[C@H](C(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1)C(C)C ZINC001702365185 1290138550 /nfs/dbraw/zinc/13/85/50/1290138550.db2.gz JDIKKFDPVWPTAS-CFVMTHIKSA-N -1 3 364.446 0.946 10 0 FCAEHM COCC(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1c1ccccc1 ZINC001739552177 1290150159 /nfs/dbraw/zinc/15/01/59/1290150159.db2.gz UQTCYADAOUYZDC-LSDHHAIUSA-N -1 3 356.382 0.553 10 0 FCAEHM C/C=C(/C)C(=O)N1C[C@@H](NC(=O)CCc2c(C)nc[n-]c2=O)[C@H](OC)C1 ZINC001739581540 1290193223 /nfs/dbraw/zinc/19/32/23/1290193223.db2.gz XEDXLFMVYZCELC-ILSYHXBVSA-N -1 3 362.430 0.731 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](NC(=O)CCC2CCCC2)[C@@H](O)C1 ZINC001739596838 1290216940 /nfs/dbraw/zinc/21/69/40/1290216940.db2.gz CILRAVRRVXAYQB-KGLIPLIRSA-N -1 3 362.430 0.763 10 0 FCAEHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1C[C@@]2(CCOC2)Oc2ccccc21 ZINC001623771092 1290237447 /nfs/dbraw/zinc/23/74/47/1290237447.db2.gz RRYFWLPEAZVGDQ-BMLIUANNSA-N -1 3 358.354 0.883 10 0 FCAEHM COCCC[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@@H]1O ZINC001739688060 1290360741 /nfs/dbraw/zinc/36/07/41/1290360741.db2.gz YSLLRTMAFLGNJV-XPKDYRNWSA-N -1 3 350.415 0.756 10 0 FCAEHM C[C@H](CC(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@@H]1O)CC(C)(C)C ZINC001739689161 1290363761 /nfs/dbraw/zinc/36/37/61/1290363761.db2.gz HDRFPNRXIHXDPO-BNOWGMLFSA-N -1 3 364.446 0.946 10 0 FCAEHM COC[C@@H](C)CC(=O)N1C[C@H]2CCN(C(=O)c3c(C)nc[n-]c3=O)C[C@H]21 ZINC001739727821 1290398400 /nfs/dbraw/zinc/39/84/00/1290398400.db2.gz PBUDSGVFFOZJPK-IACUBPJLSA-N -1 3 362.430 0.836 10 0 FCAEHM CC[C@@H](F)C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@@H]2CCO[C@H]2CC)n1 ZINC001739983218 1290458957 /nfs/dbraw/zinc/45/89/57/1290458957.db2.gz PTZNPNURZONPJZ-UPJWGTAASA-N -1 3 368.409 0.978 10 0 FCAEHM CC(C)[C@H](C)C(=O)NCc1nc(CNC(=O)[C@]23C[C@H]2COC3)cc(=O)[n-]1 ZINC001739984080 1290459123 /nfs/dbraw/zinc/45/91/23/1290459123.db2.gz YSCRMEHTHXAIBO-PZROIBLQSA-N -1 3 362.430 0.743 10 0 FCAEHM Cn1cc(C(=O)NC[C@@H]2CCCN2C(=O)c2cc(=O)[n-]c(C3CC3)n2)cn1 ZINC001627518479 1290467986 /nfs/dbraw/zinc/46/79/86/1290467986.db2.gz YGWVYPBESFYEDS-ZDUSSCGKSA-N -1 3 370.413 0.828 10 0 FCAEHM Cn1cc(C(=O)NC[C@@H]2CCCN2C(=O)c2cc3c(cc2[O-])OCO3)cn1 ZINC001627517767 1290468025 /nfs/dbraw/zinc/46/80/25/1290468025.db2.gz LJPNQCQJEOBWKA-LBPRGKRZSA-N -1 3 372.381 0.889 10 0 FCAEHM CC[C@H](C)OCC(=O)N1C[C@@H](CNC(=O)c2cnc[n-]c2=O)[C@H](C)C1 ZINC001740177431 1290508560 /nfs/dbraw/zinc/50/85/60/1290508560.db2.gz BWEKSNYCFPQDCL-FRRDWIJNSA-N -1 3 350.419 0.822 10 0 FCAEHM C[C@@H](C(=O)NCc1cc(=O)[n-]c(=S)[nH]1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001628254580 1290520506 /nfs/dbraw/zinc/52/05/06/1290520506.db2.gz ADEFDKUZQWPWGG-INTQDDNPSA-N -1 3 364.427 0.651 10 0 FCAEHM CC(C)(C)OC(=O)N1CC(O)(CC(=O)NCc2cc(=O)[n-]c(=S)[nH]2)C1 ZINC001628258720 1290520560 /nfs/dbraw/zinc/52/05/60/1290520560.db2.gz FGGUOOLCDYFSQG-UHFFFAOYSA-N -1 3 370.431 0.459 10 0 FCAEHM Cc1noc(COc2ccc(C(=O)NCCc3c(C)[n-][nH]c3=O)cn2)n1 ZINC001628274337 1290522983 /nfs/dbraw/zinc/52/29/83/1290522983.db2.gz HIPCLTITVKWKLZ-LBPRGKRZSA-N -1 3 358.358 0.594 10 0 FCAEHM COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1c(C)[n-][nH]c1=O ZINC001628274783 1290523476 /nfs/dbraw/zinc/52/34/76/1290523476.db2.gz PSERXOUNYDQACQ-NWDGAFQWSA-N -1 3 356.423 0.544 10 0 FCAEHM CC(C)(C)C(=O)NCC(=O)OCCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001629011937 1290568477 /nfs/dbraw/zinc/56/84/77/1290568477.db2.gz GRLRSHPGOLOXSW-UHFFFAOYSA-N -1 3 374.401 0.901 10 0 FCAEHM CC(C)(C)C(=O)NCC(=O)OCCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001629011937 1290568481 /nfs/dbraw/zinc/56/84/81/1290568481.db2.gz GRLRSHPGOLOXSW-UHFFFAOYSA-N -1 3 374.401 0.901 10 0 FCAEHM CCOC(=O)c1nc([C@@H](C)NC(=O)C=C(C)CN2CCOCC2)n[n-]1 ZINC001629029361 1290571519 /nfs/dbraw/zinc/57/15/19/1290571519.db2.gz KHBCIAAKHHCZHQ-LMMOQWNQSA-N -1 3 351.407 0.437 10 0 FCAEHM CCOC(=O)c1nnc([C@@H](C)NC(=O)C=C(C)CN2CCOCC2)[n-]1 ZINC001629029361 1290571528 /nfs/dbraw/zinc/57/15/28/1290571528.db2.gz KHBCIAAKHHCZHQ-LMMOQWNQSA-N -1 3 351.407 0.437 10 0 FCAEHM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)/C=C(\C)CN2CCOCC2)n1 ZINC001629029361 1290571536 /nfs/dbraw/zinc/57/15/36/1290571536.db2.gz KHBCIAAKHHCZHQ-LMMOQWNQSA-N -1 3 351.407 0.437 10 0 FCAEHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@H](O)[C@](O)(c1ccccc1)C(F)(F)F ZINC001629376791 1290596878 /nfs/dbraw/zinc/59/68/78/1290596878.db2.gz JTBAYPYUIAGQDS-IINYFYTJSA-N -1 3 373.287 0.946 10 0 FCAEHM CS(=O)(=O)NCCCNC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001629592581 1290613385 /nfs/dbraw/zinc/61/33/85/1290613385.db2.gz DSQRSXQWESVJHC-UHFFFAOYSA-N -1 3 359.354 0.475 10 0 FCAEHM C[C@@H]1C(=O)N([N-]C(=O)c2cccc(S(=O)(=O)C(F)F)c2)C(=O)N1C ZINC001629885061 1290631312 /nfs/dbraw/zinc/63/13/12/1290631312.db2.gz MTDUTXIGKJELBO-SSDOTTSWSA-N -1 3 361.326 0.610 10 0 FCAEHM COCCOCC(=O)NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1 ZINC001629901395 1290633155 /nfs/dbraw/zinc/63/31/55/1290633155.db2.gz QUVIKZSKQMGFIK-UHFFFAOYSA-N -1 3 370.406 0.486 10 0 FCAEHM CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)NCCCc1c[n-][nH]c1=O ZINC001630631673 1290682210 /nfs/dbraw/zinc/68/22/10/1290682210.db2.gz LZEAMCRDUYCIAV-UTUOFQBUSA-N -1 3 354.407 0.297 10 0 FCAEHM CC(C)NS(=O)(=O)c1cccc(C(=O)NCCCc2c[n-][nH]c2=O)c1 ZINC001630631506 1290682448 /nfs/dbraw/zinc/68/24/48/1290682448.db2.gz KMDRBNIYPUGXTC-CYBMUJFWSA-N -1 3 366.443 0.615 10 0 FCAEHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCN(C)C[C@H]2CO)c1 ZINC001630707213 1290689934 /nfs/dbraw/zinc/68/99/34/1290689934.db2.gz KYGJDMCRZNVDRZ-ZDUSSCGKSA-N -1 3 374.397 0.689 10 0 FCAEHM COC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc(OC)cc1[O-] ZINC001643358150 1290877637 /nfs/dbraw/zinc/87/76/37/1290877637.db2.gz DBODSCZXLVJHLL-JTQLQIEISA-N -1 3 357.384 0.203 10 0 FCAEHM COC(=O)c1ncnc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1OC ZINC001650620074 1291174031 /nfs/dbraw/zinc/17/40/31/1291174031.db2.gz JYVTVNWBCLFHHL-UHFFFAOYSA-N -1 3 372.381 0.940 10 0 FCAEHM CNC(=O)Nc1ccc(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1 ZINC001653312543 1291334688 /nfs/dbraw/zinc/33/46/88/1291334688.db2.gz LBVFRWNGBCTSPD-ZDUSSCGKSA-N -1 3 356.386 0.942 10 0 FCAEHM NC(=O)c1ccc(OCC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1 ZINC001653313551 1291337197 /nfs/dbraw/zinc/33/71/97/1291337197.db2.gz UUEGRIXREBOFTA-LBPRGKRZSA-N -1 3 357.370 0.055 10 0 FCAEHM CC(C)[C@H](O)CCN1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC001653346239 1291337674 /nfs/dbraw/zinc/33/76/74/1291337674.db2.gz ZUAALEMIDMXPFJ-GFCCVEGCSA-N -1 3 361.430 0.844 10 0 FCAEHM CCOC(=O)N1C[C@@H](CO)[C@@H](NC(=O)c2cc(NC(C)=O)ccc2[O-])C1 ZINC001653464066 1291345440 /nfs/dbraw/zinc/34/54/40/1291345440.db2.gz ROLHXTUUGJSRSO-FZMZJTMJSA-N -1 3 365.386 0.530 10 0 FCAEHM COC(=O)c1ccc(NC(=O)CN2CCC(Cc3nnn[n-]3)CC2)cc1 ZINC001660006373 1291649990 /nfs/dbraw/zinc/64/99/90/1291649990.db2.gz QCWVLQUALALZAU-UHFFFAOYSA-N -1 3 358.402 0.880 10 0 FCAEHM COC(=O)c1ccc(NC(=O)CN2CCC(Cc3nn[n-]n3)CC2)cc1 ZINC001660006373 1291649995 /nfs/dbraw/zinc/64/99/95/1291649995.db2.gz QCWVLQUALALZAU-UHFFFAOYSA-N -1 3 358.402 0.880 10 0 FCAEHM CN(CCOCCN(C)C(=O)[C@@H]1C[C@H]1C1CC1)C(=O)c1cnc[n-]c1=O ZINC001685121831 1292433706 /nfs/dbraw/zinc/43/37/06/1292433706.db2.gz UGQXCDXVWHJPKF-UONOGXRCSA-N -1 3 362.430 0.775 10 0 FCAEHM CCOCC(=O)N1CC[C@H](NC(=O)CCc2c(C)nc[n-]c2=O)[C@H]1C ZINC001685302058 1292489494 /nfs/dbraw/zinc/48/94/94/1292489494.db2.gz KFKNBCQSQJPZLS-OCCSQVGLSA-N -1 3 350.419 0.565 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CCCCCNC(=O)CC1 ZINC001685575617 1292563228 /nfs/dbraw/zinc/56/32/28/1292563228.db2.gz XUMKEHMCTJPVBD-CYBMUJFWSA-N -1 3 362.434 0.463 10 0 FCAEHM CO[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C[C@H]1C ZINC001685611518 1292573858 /nfs/dbraw/zinc/57/38/58/1292573858.db2.gz RAXUTQADKYKYOK-NTZNESFSSA-N -1 3 362.430 0.919 10 0 FCAEHM O=C(N[C@@H](CO)Cc1ccccc1)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001685644671 1292580548 /nfs/dbraw/zinc/58/05/48/1292580548.db2.gz GFMLUZVNIKEFRA-LSDHHAIUSA-N -1 3 357.414 0.664 10 0 FCAEHM COC(=O)[C@@]1(C)CN(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)C[C@@H]1C ZINC001685649377 1292583147 /nfs/dbraw/zinc/58/31/47/1292583147.db2.gz IUKHRDQZMPUDDH-PRXAMGSTSA-N -1 3 363.418 0.602 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N1Cc2ccccc2NC(=O)C1 ZINC001685650152 1292583197 /nfs/dbraw/zinc/58/31/97/1292583197.db2.gz YVKBYIVLTSQOJO-CYBMUJFWSA-N -1 3 368.397 0.925 10 0 FCAEHM CC(C)[C@@H](O)C(=O)NC[C@]12CCC[C@H]1N(C(=O)c1cnc[n-]c1=O)CC2 ZINC001685913070 1292692682 /nfs/dbraw/zinc/69/26/82/1292692682.db2.gz TYCKRCURJOYOLH-HBUWYVDXSA-N -1 3 362.430 0.700 10 0 FCAEHM CNC(=O)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccccc2[O-])CC1 ZINC001686048486 1292746686 /nfs/dbraw/zinc/74/66/86/1292746686.db2.gz ZSFPNFVHIGNJFR-XBFCOCLRSA-N -1 3 357.410 0.780 10 0 FCAEHM CCN(C[C@H](O)C(F)(F)F)C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001687790094 1293014265 /nfs/dbraw/zinc/01/42/65/1293014265.db2.gz UKUPRZROMIIGKN-ZJUUUORDSA-N -1 3 363.340 0.716 10 0 FCAEHM Cc1nnc([C@@H]2CCCN(C(=O)N[C@@H]3CCN(c4cc(=O)[n-]cn4)C3)C2)[nH]1 ZINC001687789949 1293014386 /nfs/dbraw/zinc/01/43/86/1293014386.db2.gz PSPAFEPGRJKBMZ-CHWSQXEVSA-N -1 3 372.433 0.777 10 0 FCAEHM COC(=O)Nc1ccc(C(=O)OCC(=O)N2CCO[C@@H](C)C2)cc1[O-] ZINC000745654782 836145181 /nfs/dbraw/zinc/14/51/81/836145181.db2.gz XVNNNANYMGAYOS-JTQLQIEISA-N -1 3 352.343 0.975 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NC1(CCO)CN(CCC[N-]C(=O)C(F)(F)F)C1 ZINC001276087974 861313555 /nfs/dbraw/zinc/31/35/55/861313555.db2.gz AJOXEFCEFYJYSJ-VXGBXAGGSA-N -1 3 365.396 0.654 10 0 FCAEHM COC(=O)c1ccc(F)cc1S(=O)(=O)NC1CCN(CC(=O)[O-])CC1 ZINC001118915948 847633991 /nfs/dbraw/zinc/63/39/91/847633991.db2.gz OWVZIMUOMIUSRY-UHFFFAOYSA-N -1 3 374.390 0.440 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@H]2CCNC(=O)CC2)c(Br)n1 ZINC001118940724 847644609 /nfs/dbraw/zinc/64/46/09/847644609.db2.gz QTMWRIIVCYNONO-SSDOTTSWSA-N -1 3 351.226 0.130 10 0 FCAEHM O=C([O-])CN1CCCN(C(=O)C2([C@@H]3CCCCO3)CCOCC2)CC1 ZINC001119586722 847901650 /nfs/dbraw/zinc/90/16/50/847901650.db2.gz PASVVTJRUYHGKO-HNNXBMFYSA-N -1 3 354.447 0.971 10 0 FCAEHM CCN1CCN(C[C@@H](C)CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CC1 ZINC001119715365 847949852 /nfs/dbraw/zinc/94/98/52/847949852.db2.gz SSRLUGCEHAVZQA-DAYGRLMNSA-N -1 3 352.479 0.909 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)OCCCN2CCO[C@@H](C)C2)c(C)o1 ZINC001123115992 848570475 /nfs/dbraw/zinc/57/04/75/848570475.db2.gz DRIMJCLWSSXFFL-NSHDSACASA-N -1 3 360.432 0.764 10 0 FCAEHM CCOc1ccc(S(=O)(=O)N(C)C)cc1[N-]C(=O)c1nnn(C)n1 ZINC001126489111 848707343 /nfs/dbraw/zinc/70/73/43/848707343.db2.gz PGTXYWBPSMJMKC-UHFFFAOYSA-N -1 3 354.392 0.111 10 0 FCAEHM CON(C)S(=O)(=O)c1ccc(C(=O)NCCc2c(C)[n-][nH]c2=O)cc1 ZINC001136653029 849233005 /nfs/dbraw/zinc/23/30/05/849233005.db2.gz JYVVIIZIUKNPLQ-ZDUSSCGKSA-N -1 3 368.415 0.110 10 0 FCAEHM CSc1ncc(C(=O)N2CCC(O)(CN3CCOCC3)CC2)c(=O)[n-]1 ZINC001137769649 849283244 /nfs/dbraw/zinc/28/32/44/849283244.db2.gz IKWDPKCBAIWITB-UHFFFAOYSA-N -1 3 368.459 0.203 10 0 FCAEHM C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001144503396 849524352 /nfs/dbraw/zinc/52/43/52/849524352.db2.gz WBDPHWWWDRKMQE-NRUUGDAUSA-N -1 3 354.407 0.705 10 0 FCAEHM O=C(CCCS(=O)(=O)N1CCCC1)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001144527404 849524924 /nfs/dbraw/zinc/52/49/24/849524924.db2.gz IDLVVNMNQNUQJF-UHFFFAOYSA-N -1 3 360.461 0.293 10 0 FCAEHM O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21)NCCCc1c[n-][nH]c1=O ZINC001149263695 849634342 /nfs/dbraw/zinc/63/43/42/849634342.db2.gz WNUGVWGTFKROLX-ZJQBRPOHSA-N -1 3 367.475 0.340 10 0 FCAEHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001163169563 850359279 /nfs/dbraw/zinc/35/92/79/850359279.db2.gz HXJDPCCKKJFVFQ-OAHLLOKOSA-N -1 3 353.400 0.089 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](n3ccnn3)CC2)c(C)o1 ZINC001168444801 850586115 /nfs/dbraw/zinc/58/61/15/850586115.db2.gz KEAIRYKZJBQXSG-GFCCVEGCSA-N -1 3 367.431 0.955 10 0 FCAEHM COC(=O)c1cc(NC(=O)C[C@]2(C)CCS(=O)(=O)N2)c([O-])c(OC)c1 ZINC001179886769 851003626 /nfs/dbraw/zinc/00/36/26/851003626.db2.gz VSOKQMXZISTFKH-HNNXBMFYSA-N -1 3 372.399 0.598 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCc2cc(=O)c(O)co2)ccc1F ZINC001179890474 851003835 /nfs/dbraw/zinc/00/38/35/851003835.db2.gz AGQGQJLJPSBHQF-UHFFFAOYSA-N -1 3 356.331 0.323 10 0 FCAEHM NC(=O)c1ccc(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)nc1Cl ZINC001180028724 851009940 /nfs/dbraw/zinc/00/99/40/851009940.db2.gz UDJGHBRMPGWEDF-QMMMGPOBSA-N -1 3 362.777 0.338 10 0 FCAEHM C[C@]12CN(C(=O)c3ccc4c(c3)C(=O)[N-]C4=O)C[C@@]1(C)CS(=O)(=O)C2 ZINC001184226146 851296415 /nfs/dbraw/zinc/29/64/15/851296415.db2.gz MYWHAJQVAVVOMS-CALCHBBNSA-N -1 3 362.407 0.467 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H](CNCc1nc(=O)n(C)[n-]1)C(C)(C)C ZINC001278973346 862590714 /nfs/dbraw/zinc/59/07/14/862590714.db2.gz SDFBDLDUAQJFPL-DYEKYZERSA-N -1 3 353.467 0.544 10 0 FCAEHM C[S@](=N)(=O)N1CCN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)CC1 ZINC001235265822 857420954 /nfs/dbraw/zinc/42/09/54/857420954.db2.gz KGSDICTYXVYPIH-HSZRJFAPSA-N -1 3 355.346 0.242 10 0 FCAEHM CNS(=O)(=O)C[C@@H]1CCCN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001261839709 858682885 /nfs/dbraw/zinc/68/28/85/858682885.db2.gz KYXUJFPQKVHUDX-SNVBAGLBSA-N -1 3 354.432 0.461 10 0 FCAEHM CO[C@H](C(=O)N[C@@H]1CCCN(c2nc(C)cc(=O)[n-]2)C1)[C@H]1CCOC1 ZINC001263911690 859237534 /nfs/dbraw/zinc/23/75/34/859237534.db2.gz PZQDFOULDDAIPB-GUTXKFCHSA-N -1 3 350.419 0.627 10 0 FCAEHM CO[C@@H]1COCC[C@@H]1CC(=O)N[C@@H]1CCN(c2nc(C)cc(=O)[n-]2)C1 ZINC001263912738 859238514 /nfs/dbraw/zinc/23/85/14/859238514.db2.gz BBCLHYBVEGYZPV-MGPQQGTHSA-N -1 3 350.419 0.627 10 0 FCAEHM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CC[C@@H](NCc2nccs2)C1 ZINC001263928389 859245350 /nfs/dbraw/zinc/24/53/50/859245350.db2.gz YIPGOZMEEJHIKG-VHSXEESVSA-N -1 3 352.420 0.221 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)N[C@@](C)(CNCc1nc(=O)n(C)[n-]1)C1CC1 ZINC001267855249 859518650 /nfs/dbraw/zinc/51/86/50/859518650.db2.gz FBZQEVHMEGJGFK-IGCXYCKISA-N -1 3 351.451 0.298 10 0 FCAEHM CCC[C@H](C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1O)C(C)C ZINC001281717395 863680101 /nfs/dbraw/zinc/68/01/01/863680101.db2.gz BWJGMKFBRQPFDU-IACUBPJLSA-N -1 3 350.419 0.556 10 0 FCAEHM CC[C@H](C)OCC(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1C ZINC001281755296 863711157 /nfs/dbraw/zinc/71/11/57/863711157.db2.gz WTPBTMNHBHHBIR-NTZNESFSSA-N -1 3 350.419 0.882 10 0 FCAEHM COC[C@H](C)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001282146631 864083448 /nfs/dbraw/zinc/08/34/48/864083448.db2.gz BLDLCWCEKVLFDX-WCFLWFBJSA-N -1 3 350.419 0.788 10 0 FCAEHM COC[C@H](C)CC(=O)NC[C@H]1CC[C@@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001282153549 864088643 /nfs/dbraw/zinc/08/86/43/864088643.db2.gz ZGARFUXEJCQYBK-FRRDWIJNSA-N -1 3 350.419 0.870 10 0 FCAEHM C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@H](NC(=O)c1cn[n-]n1)C1CCCC1 ZINC001286062945 864670911 /nfs/dbraw/zinc/67/09/11/864670911.db2.gz NDOZADAOLAMZSN-SUHUHFCYSA-N -1 3 351.407 0.013 10 0 FCAEHM CC[C@H](CC(C)C)C(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1 ZINC001289659269 865203356 /nfs/dbraw/zinc/20/33/56/865203356.db2.gz NIUATKCZNLAVHO-BNOWGMLFSA-N -1 3 350.419 0.556 10 0 FCAEHM O=C(CCCF)NCc1cc(=O)[n-]c(CNC(=O)[C@]23C[C@H]2COC3)n1 ZINC001290363937 865398922 /nfs/dbraw/zinc/39/89/22/865398922.db2.gz BEYAVHJDFUOPGY-QFYYESIMSA-N -1 3 352.366 0.201 10 0 FCAEHM CCO[C@H](CC)C(=O)N1C[C@@H](CNC(=O)c2cnc[n-]c2=O)[C@H](C)C1 ZINC001290935354 865562531 /nfs/dbraw/zinc/56/25/31/865562531.db2.gz ZDRVZMMSXUIYON-YRGRVCCFSA-N -1 3 350.419 0.822 10 0 FCAEHM C[C@@H](CNC(=O)c1nc[n-]c(=O)c1Br)N1CCN(C)CC1 ZINC001292965606 865764446 /nfs/dbraw/zinc/76/44/46/865764446.db2.gz DKCCYGUKBBJZBK-VIFPVBQESA-N -1 3 358.240 0.310 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001292970555 865765505 /nfs/dbraw/zinc/76/55/05/865765505.db2.gz ZFUIOWWAYVGTJG-YGRLFVJLSA-N -1 3 351.428 0.822 10 0 FCAEHM COC(=O)Cc1n[n-]c(NC(=O)c2cc(=O)n(C)cc2Br)n1 ZINC001293875535 865811294 /nfs/dbraw/zinc/81/12/94/865811294.db2.gz UYFYFEZPFHXKAL-UHFFFAOYSA-N -1 3 370.163 0.234 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)c2cc(=O)n(C)cc2Br)n[n-]1 ZINC001293875535 865811300 /nfs/dbraw/zinc/81/13/00/865811300.db2.gz UYFYFEZPFHXKAL-UHFFFAOYSA-N -1 3 370.163 0.234 10 0 FCAEHM CS(=O)(=O)c1ccc(C(=O)NCCNC(=O)c2ccc([O-])cc2)cn1 ZINC001294908575 865862230 /nfs/dbraw/zinc/86/22/30/865862230.db2.gz HNQKTTDOPFUHEP-UHFFFAOYSA-N -1 3 363.395 0.351 10 0 FCAEHM COC(=O)c1ncoc1COCC(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001300194640 866214786 /nfs/dbraw/zinc/21/47/86/866214786.db2.gz LUBJGEKHEVWPLL-SECBINFHSA-N -1 3 350.331 0.423 10 0 FCAEHM Cc1cc(S(C)(=O)=O)cc(C(=O)NCCCc2c[n-][nH]c2=O)c1C ZINC001301571153 866271180 /nfs/dbraw/zinc/27/11/80/866271180.db2.gz MBUOPBVIGLOKLA-LBPRGKRZSA-N -1 3 351.428 0.949 10 0 FCAEHM CCS(=O)(=O)c1ccc(C(=O)NCCCc2c[n-][nH]c2=O)c(N)c1 ZINC001301570147 866271563 /nfs/dbraw/zinc/27/15/63/866271563.db2.gz AJBKVQVUPDUIIE-SNVBAGLBSA-N -1 3 352.416 0.304 10 0 FCAEHM COC(=O)[C@H](CC1OCCO1)NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC001302832551 866359305 /nfs/dbraw/zinc/35/93/05/866359305.db2.gz MWWPFJVBJXWAKN-JTQLQIEISA-N -1 3 355.343 0.444 10 0 FCAEHM C[C@@H](CC(=O)N1CC[C@@]2(O)C[C@H]2C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC001351088605 866775009 /nfs/dbraw/zinc/77/50/09/866775009.db2.gz WWWNUIFPIVVFDC-ZIBATOQPSA-N -1 3 373.862 0.775 10 0 FCAEHM C[C@@]1(C(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)CCC(=O)NC1 ZINC001325127003 869786803 /nfs/dbraw/zinc/78/68/03/869786803.db2.gz ATZFMYQOERIXTJ-OAHLLOKOSA-N -1 3 357.407 0.730 10 0 FCAEHM CS(=O)(=O)c1cccc(OCCN2C[C@H]3COCC[C@]3(C(=O)[O-])C2)c1 ZINC001326575992 870390655 /nfs/dbraw/zinc/39/06/55/870390655.db2.gz HFYMNODWGCZNOQ-GUYCJALGSA-N -1 3 369.439 0.892 10 0 FCAEHM O=C(NCc1nc(C(F)(F)F)n[n-]1)C(=O)N1CC[C@@]2(CC2(F)F)C1 ZINC001326726312 870470120 /nfs/dbraw/zinc/47/01/20/870470120.db2.gz NTPZLZKRFUCFDU-SNVBAGLBSA-N -1 3 353.251 0.697 10 0 FCAEHM O=C(NCc1ccc([O-])c(Br)c1)C(=O)N1CC[C@@]2(O)C[C@H]2C1 ZINC001328091952 871221782 /nfs/dbraw/zinc/22/17/82/871221782.db2.gz IUGICSCQIPWMNG-ZUZCIYMTSA-N -1 3 369.215 0.754 10 0 FCAEHM CC(C)OCCC(=O)N1C[C@@H](CNC(=O)c2cnc[n-]c2=O)[C@H](C)C1 ZINC001346133999 871662785 /nfs/dbraw/zinc/66/27/85/871662785.db2.gz FVSMQJKSJQFZMQ-CHWSQXEVSA-N -1 3 350.419 0.822 10 0 FCAEHM CC1(C)CC(NS(=O)(=O)CCCS(=O)(=O)[N-]c2ccnnc2)C1 ZINC001347156741 872191508 /nfs/dbraw/zinc/19/15/08/872191508.db2.gz CLJBGJLGHDAKNI-UHFFFAOYSA-N -1 3 362.477 0.716 10 0 FCAEHM CO[C@@H](COC(=O)c1ccc(S(=O)(=O)[N-]CCO)s1)C1CCC1 ZINC001330172926 872507613 /nfs/dbraw/zinc/50/76/13/872507613.db2.gz DQXHLCBEVKVEFF-NSHDSACASA-N -1 3 363.457 0.991 10 0 FCAEHM O=C([N-]CC1CCN(C(=O)NCC[C@@H]2CNC(=O)C2)CC1)C(F)(F)F ZINC001332458652 873516618 /nfs/dbraw/zinc/51/66/18/873516618.db2.gz HBUVOIFIBXONSZ-NSHDSACASA-N -1 3 364.368 0.613 10 0 FCAEHM CCN1CCN(C[C@@H](C)CNC(=O)[C@@H]2CC[C@H](CCC(=O)[O-])O2)CC1 ZINC001332654325 873602112 /nfs/dbraw/zinc/60/21/12/873602112.db2.gz VLXBZPQGYISKPZ-XHSDSOJGSA-N -1 3 355.479 0.789 10 0 FCAEHM CC(=O)OC[C@H](CO)[N-]C(=O)C(F)(F)c1ncccc1Br ZINC001333282627 873893388 /nfs/dbraw/zinc/89/33/88/873893388.db2.gz ZGDWDAKYDCSQIL-QMMMGPOBSA-N -1 3 367.146 0.976 10 0 FCAEHM COC[C@@H]1CCN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000292728630 214120838 /nfs/dbraw/zinc/12/08/38/214120838.db2.gz NFPRKQSPVJGKFZ-VIFPVBQESA-N -1 3 352.409 0.607 10 0 FCAEHM CCc1noc(C)c1C[N-]S(=O)(=O)c1cccc(S(=O)(=O)NC)c1 ZINC000292890383 214130599 /nfs/dbraw/zinc/13/05/99/214130599.db2.gz VAUUXVMNDJNOSL-UHFFFAOYSA-N -1 3 373.456 0.932 10 0 FCAEHM CN(CCCO)C(=O)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000294266565 214234429 /nfs/dbraw/zinc/23/44/29/214234429.db2.gz OEVGPQLIHHHWLA-UHFFFAOYSA-N -1 3 354.350 0.825 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCCN(C=O)CC1 ZINC000294612581 214256467 /nfs/dbraw/zinc/25/64/67/214256467.db2.gz QBVMJZPLGVEMNA-LBPRGKRZSA-N -1 3 357.407 0.183 10 0 FCAEHM CC[C@@H](NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O)[C@@H](O)C(F)F ZINC000296380137 214347904 /nfs/dbraw/zinc/34/79/04/214347904.db2.gz VPIDXROGAUBSQD-DGCLKSJQSA-N -1 3 355.341 0.601 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@@H]1CCCN(CCCO)C1 ZINC000296289152 214341367 /nfs/dbraw/zinc/34/13/67/214341367.db2.gz RMPFWFNESXYSMB-CYBMUJFWSA-N -1 3 374.459 0.808 10 0 FCAEHM CSC[C@](C)(O)CNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000265745589 210213076 /nfs/dbraw/zinc/21/30/76/210213076.db2.gz VWYFUTOMMJGWHI-IINYFYTJSA-N -1 3 364.464 0.723 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000265670953 210194541 /nfs/dbraw/zinc/19/45/41/210194541.db2.gz BFWDVBNLBCEREM-QWRGUYRKSA-N -1 3 357.407 0.230 10 0 FCAEHM C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)CN1CC(=O)[N-]C1=O ZINC000265660739 210190549 /nfs/dbraw/zinc/19/05/49/210190549.db2.gz OYNFMTSBBGSNTC-OAHLLOKOSA-N -1 3 374.441 0.288 10 0 FCAEHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H]2CCC(=O)N(C)C2)s1 ZINC000265632432 210183845 /nfs/dbraw/zinc/18/38/45/210183845.db2.gz FAMJTVZJXZEBGV-LLVKDONJSA-N -1 3 359.473 0.326 10 0 FCAEHM CN(CC1(CO)CC1)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000189116899 529853448 /nfs/dbraw/zinc/85/34/48/529853448.db2.gz OJPAORPQRFGKOW-UHFFFAOYSA-N -1 3 352.865 0.911 10 0 FCAEHM C[C@]1(C[C@H]2CCCN2S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)NC(=O)[N-]C1=O ZINC000333172240 215245207 /nfs/dbraw/zinc/24/52/07/215245207.db2.gz NZGIRPJYGLPJDN-QCPCCJPKSA-N -1 3 355.460 0.957 10 0 FCAEHM O=C(NCCCN1CCOC1=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000360247884 215357954 /nfs/dbraw/zinc/35/79/54/215357954.db2.gz YKKJXUVHKIOUHS-CQSZACIVSA-N -1 3 361.398 0.955 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000361279436 215388291 /nfs/dbraw/zinc/38/82/91/215388291.db2.gz XLWWVCPQKTVGCN-LLVKDONJSA-N -1 3 353.382 0.889 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000361279436 215388294 /nfs/dbraw/zinc/38/82/94/215388294.db2.gz XLWWVCPQKTVGCN-LLVKDONJSA-N -1 3 353.382 0.889 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000362850644 215449668 /nfs/dbraw/zinc/44/96/68/215449668.db2.gz IXVHWEPRMMUCSC-JTQLQIEISA-N -1 3 352.341 0.459 10 0 FCAEHM CS(=O)(=O)[N-][C@H]1CO[C@H]2[C@@H]1OC[C@@H]2n1cc(CC2CCCCC2)nn1 ZINC000005412335 291030077 /nfs/dbraw/zinc/03/00/77/291030077.db2.gz XFALAIKVZRPYOL-CAOSSQGBSA-N -1 3 370.475 0.657 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](CO)C[C@H](O)C(C)(C)C)oc1C ZINC000284575147 213171999 /nfs/dbraw/zinc/17/19/99/213171999.db2.gz GQUZMCDQZJTDLP-JQWIXIFHSA-N -1 3 363.432 0.811 10 0 FCAEHM CN1CCO[C@@H]2CCN(C(=O)c3ccc([C@]4(C)NC(=O)[N-]C4=O)cc3)C[C@@H]21 ZINC000284399646 213130319 /nfs/dbraw/zinc/13/03/19/213130319.db2.gz CBEXWPQVKXKKBG-KHYOSLBOSA-N -1 3 372.425 0.286 10 0 FCAEHM COC(=O)CCN(C)S(=O)(=O)[N-]C1(c2noc(C(F)F)n2)CCC1 ZINC000366237042 215950737 /nfs/dbraw/zinc/95/07/37/215950737.db2.gz ZRYIRHLWDFKVAL-UHFFFAOYSA-N -1 3 368.362 0.716 10 0 FCAEHM COC[C@H]([N-]S(=O)(=O)C1CN(C(=O)c2ccccc2)C1)[C@@H]1CCCO1 ZINC000366768806 216029297 /nfs/dbraw/zinc/02/92/97/216029297.db2.gz HHEHNTGBGHTLQT-HOTGVXAUSA-N -1 3 368.455 0.624 10 0 FCAEHM C[C@H]1[C@H]([N-]S(=O)(=O)CCS(C)(=O)=O)CC(=O)N1Cc1ccccc1 ZINC000367006106 216062834 /nfs/dbraw/zinc/06/28/34/216062834.db2.gz YNXAXEXCJZDEKN-GXTWGEPZSA-N -1 3 374.484 0.140 10 0 FCAEHM CC[C@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000367046270 216069174 /nfs/dbraw/zinc/06/91/74/216069174.db2.gz VGLRHYWKKJRTHE-JYJNAYRXSA-N -1 3 374.441 0.380 10 0 FCAEHM CC[C@@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000367046272 216069207 /nfs/dbraw/zinc/06/92/07/216069207.db2.gz VGLRHYWKKJRTHE-PMPSAXMXSA-N -1 3 374.441 0.380 10 0 FCAEHM CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)CC1 ZINC000367195831 216089844 /nfs/dbraw/zinc/08/98/44/216089844.db2.gz LGVQYMVRNKBJGP-GJZGRUSLSA-N -1 3 364.446 0.614 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CCc3nc[nH]c3C2)s1 ZINC000368192504 216214000 /nfs/dbraw/zinc/21/40/00/216214000.db2.gz YMGQRNBEGWYQIU-SECBINFHSA-N -1 3 369.472 0.736 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CCc3[nH]cnc3C2)s1 ZINC000368192504 216214003 /nfs/dbraw/zinc/21/40/03/216214003.db2.gz YMGQRNBEGWYQIU-SECBINFHSA-N -1 3 369.472 0.736 10 0 FCAEHM CN1CC[C@H](NC(=O)CC[C@@H]2NC(=O)[N-]C2=O)[C@H]1c1ccc(F)c(F)c1 ZINC000245712159 209374752 /nfs/dbraw/zinc/37/47/52/209374752.db2.gz TYJJTTWUMWAMDP-KCQAQPDRSA-N -1 3 366.368 0.814 10 0 FCAEHM C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])C(=O)NCCF ZINC000368525906 216258781 /nfs/dbraw/zinc/25/87/81/216258781.db2.gz GKLPPMOMKKKPJD-YPMHNXCESA-N -1 3 351.378 0.587 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](c2nc[nH]n2)c2ccccc2)co1 ZINC000368814861 216299806 /nfs/dbraw/zinc/29/98/06/216299806.db2.gz XCRGWYQNFMLTKF-CYBMUJFWSA-N -1 3 361.383 0.825 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](c2nnc[nH]2)c2ccccc2)co1 ZINC000368814861 216299808 /nfs/dbraw/zinc/29/98/08/216299808.db2.gz XCRGWYQNFMLTKF-CYBMUJFWSA-N -1 3 361.383 0.825 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-]N2C(=O)NC3(CCCCC3)C2=O)C[C@H](C)O1 ZINC000368912870 216317814 /nfs/dbraw/zinc/31/78/14/216317814.db2.gz FEGZCWUMLJUIMS-PHIMTYICSA-N -1 3 360.436 0.100 10 0 FCAEHM Cc1nccn1CCC[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000108416068 209287386 /nfs/dbraw/zinc/28/73/86/209287386.db2.gz OBMUBLULKCCNON-UHFFFAOYSA-N -1 3 357.457 0.964 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(S(=O)(=O)N3CCC[C@@H]3C)CC2)n[n-]1 ZINC000368941308 216320732 /nfs/dbraw/zinc/32/07/32/216320732.db2.gz ZSMSIVOIUKBIOA-NSHDSACASA-N -1 3 371.463 0.890 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(S(=O)(=O)N3CCC[C@@H]3C)CC2)[n-]1 ZINC000368941308 216320737 /nfs/dbraw/zinc/32/07/37/216320737.db2.gz ZSMSIVOIUKBIOA-NSHDSACASA-N -1 3 371.463 0.890 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(n3cncc3C)CC2)cn1 ZINC000369156129 216356765 /nfs/dbraw/zinc/35/67/65/216356765.db2.gz MRQITECKCQNWCS-UHFFFAOYSA-N -1 3 363.443 0.972 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)cn1C ZINC000190591282 209275822 /nfs/dbraw/zinc/27/58/22/209275822.db2.gz JSYAHUYLFPHKFG-CQSZACIVSA-N -1 3 366.418 0.947 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(S(=O)(=O)[C@@H]3CCO[C@@H]3C)CC2)n[n-]1 ZINC000369338389 216385731 /nfs/dbraw/zinc/38/57/31/216385731.db2.gz IGIFASNLRBVCRM-ZYHUDNBSSA-N -1 3 372.447 0.668 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(S(=O)(=O)[C@@H]3CCO[C@@H]3C)CC2)[n-]1 ZINC000369338389 216385734 /nfs/dbraw/zinc/38/57/34/216385734.db2.gz IGIFASNLRBVCRM-ZYHUDNBSSA-N -1 3 372.447 0.668 10 0 FCAEHM CC(=O)Nc1ccc(N2C(=O)C[C@H](SC[C@@H](N)C(=O)[O-])C2=O)cc1 ZINC000101503320 209227857 /nfs/dbraw/zinc/22/78/57/209227857.db2.gz UVPXAAQCACHPNQ-NEPJUHHUSA-N -1 3 351.384 0.422 10 0 FCAEHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]C(C)(C)[C@@H](O)C(=O)OC ZINC000277014661 212319406 /nfs/dbraw/zinc/31/94/06/212319406.db2.gz IVMXIVDLMSCSEP-JTQLQIEISA-N -1 3 365.429 0.434 10 0 FCAEHM Cc1cc(C)c(N2CC[C@H](NC(=O)c3cn(C)c(=O)[n-]c3=O)C2=O)c(C)c1 ZINC000276433869 212233440 /nfs/dbraw/zinc/23/34/40/212233440.db2.gz JHQIUYNRFGJKAJ-AWEZNQCLSA-N -1 3 370.409 0.946 10 0 FCAEHM COc1ccccc1N1CC[C@H]([N-]S(=O)(=O)[C@@H]2CCO[C@H]2C)C1=O ZINC000276057157 212149405 /nfs/dbraw/zinc/14/94/05/212149405.db2.gz PRAVGAJMMOHNQZ-SLEUVZQESA-N -1 3 354.428 0.897 10 0 FCAEHM CCO[C@H]1C[C@@]([N-]S(=O)(=O)c2cn(C)c(C)n2)(C(=O)OC)C1(C)C ZINC000275913348 212118377 /nfs/dbraw/zinc/11/83/77/212118377.db2.gz FBDRXIONAIZURM-XHDPSFHLSA-N -1 3 359.448 0.754 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000185159539 209172053 /nfs/dbraw/zinc/17/20/53/209172053.db2.gz SQNXVLPVNSBECQ-SNVBAGLBSA-N -1 3 370.331 0.952 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)s1 ZINC000374141194 217099807 /nfs/dbraw/zinc/09/98/07/217099807.db2.gz FCHDOASALVXIKT-UFGOTCBOSA-N -1 3 371.484 0.672 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CCO[C@@H](C3CC3)C2)cn1C ZINC000375333943 217250809 /nfs/dbraw/zinc/25/08/09/217250809.db2.gz VOCLQGCODRTIDN-CYBMUJFWSA-N -1 3 356.448 0.034 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC(OC)(c3ccccc3)C2)cn1 ZINC000376291879 217379788 /nfs/dbraw/zinc/37/97/88/217379788.db2.gz ARRNQJXFUPREAS-UHFFFAOYSA-N -1 3 361.423 0.987 10 0 FCAEHM O=C1[C@H]([N-]S(=O)(=O)CCOCC2CC2)CCCN1c1cccnc1 ZINC000425170802 247299996 /nfs/dbraw/zinc/29/99/96/247299996.db2.gz OIUMOKXRAJLXTA-OAHLLOKOSA-N -1 3 353.444 0.923 10 0 FCAEHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@H](CO)CN3CCOCC3)c[n-]c12 ZINC000425292494 247316388 /nfs/dbraw/zinc/31/63/88/247316388.db2.gz YZGHHPFDDQNQSW-ZDUSSCGKSA-N -1 3 363.389 0.399 10 0 FCAEHM Cc1[nH]nc(NC(=O)CN2CC(=O)[N-]C2=O)c1-c1ccc2c(c1)OCCO2 ZINC000435717341 248016688 /nfs/dbraw/zinc/01/66/88/248016688.db2.gz MCFJYQKDAPHYGZ-UHFFFAOYSA-N -1 3 371.353 0.647 10 0 FCAEHM Cc1cc(N2CCN(C(=O)c3ccc(O)cc3[O-])CC2)n2ncnc2n1 ZINC000436666518 248046791 /nfs/dbraw/zinc/04/67/91/248046791.db2.gz UEXFHMGMLPPFBC-UHFFFAOYSA-N -1 3 354.370 0.806 10 0 FCAEHM Cc1ccc([C@@H](NC(=O)C[C@@H]2NC(=O)[N-]C2=O)[C@@H](C)S(C)(=O)=O)cc1 ZINC000437854236 248070821 /nfs/dbraw/zinc/07/08/21/248070821.db2.gz UEMPZZHJQHVDCY-OSMZGAPFSA-N -1 3 367.427 0.184 10 0 FCAEHM Cc1cc(O)cc(=O)n1CCC(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000437889375 248070845 /nfs/dbraw/zinc/07/08/45/248070845.db2.gz KPANJFZGOHAMLU-UHFFFAOYSA-N -1 3 354.370 0.995 10 0 FCAEHM Cc1cc(O)cc(=O)n1CCC(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000437889375 248070848 /nfs/dbraw/zinc/07/08/48/248070848.db2.gz KPANJFZGOHAMLU-UHFFFAOYSA-N -1 3 354.370 0.995 10 0 FCAEHM O=C(NCCCn1ccnn1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436847706 248053283 /nfs/dbraw/zinc/05/32/83/248053283.db2.gz GKULJCBRCYKOMY-UHFFFAOYSA-N -1 3 358.402 0.541 10 0 FCAEHM COC(=O)[C@@]1([N-]S(=O)(=O)c2cnccc2C(F)(F)F)CCOC1 ZINC000442766680 248295739 /nfs/dbraw/zinc/29/57/39/248295739.db2.gz ORSKFFITNHZAAV-LLVKDONJSA-N -1 3 354.306 0.711 10 0 FCAEHM CCc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)no1 ZINC000443153911 248308925 /nfs/dbraw/zinc/30/89/25/248308925.db2.gz FLEBOXOFHYTBMM-UHFFFAOYSA-N -1 3 363.403 0.821 10 0 FCAEHM CCc1nc(C(C)(C)[N-]S(=O)(=O)c2cc(C(=O)OC)n(C)c2)no1 ZINC000443159630 248309012 /nfs/dbraw/zinc/30/90/12/248309012.db2.gz LSAJWCFAUBRTMF-UHFFFAOYSA-N -1 3 356.404 0.971 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]C[C@@H](O)COc2ccc3c(c2)OCO3)c1 ZINC000443164508 248309070 /nfs/dbraw/zinc/30/90/70/248309070.db2.gz BLGJRJAHEJZKGU-LLVKDONJSA-N -1 3 369.399 0.350 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]C[C@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000443248179 248316583 /nfs/dbraw/zinc/31/65/83/248316583.db2.gz VCONSUQBBCYYIF-QGZVFWFLSA-N -1 3 364.471 0.818 10 0 FCAEHM COc1cc(CC2CN(C(=O)c3[nH]c(=O)[n-]c(=O)c3N)C2)cc(OC)c1 ZINC000443614786 248333181 /nfs/dbraw/zinc/33/31/81/248333181.db2.gz MCIOREGZZIUOAO-UHFFFAOYSA-N -1 3 360.370 0.802 10 0 FCAEHM CN(CC1(CO)CC1)C(=O)NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000446551251 248391324 /nfs/dbraw/zinc/39/13/24/248391324.db2.gz LFMROOTYDHNPKV-KRWDZBQOSA-N -1 3 360.414 0.655 10 0 FCAEHM COC(=O)C(C)(C)CS(=O)(=O)[N-]Cc1nn(C)cc1Br ZINC000451828996 248531811 /nfs/dbraw/zinc/53/18/11/248531811.db2.gz SWZAMEDJAZEBFX-UHFFFAOYSA-N -1 3 368.253 0.801 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)NC[C@@H]2CCCCN2CCO)c([O-])c1 ZINC000452384751 249313792 /nfs/dbraw/zinc/31/37/92/249313792.db2.gz CERAJDRIQBTYPQ-HNNXBMFYSA-N -1 3 363.458 0.784 10 0 FCAEHM COc1nnc(NC(=O)[C@@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)[n-]1 ZINC000271312368 211377935 /nfs/dbraw/zinc/37/79/35/211377935.db2.gz VRTGZHBEIVXRSY-QWRGUYRKSA-N -1 3 365.390 0.734 10 0 FCAEHM COc1nc(NC(=O)[C@@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)n[n-]1 ZINC000271312368 211377941 /nfs/dbraw/zinc/37/79/41/211377941.db2.gz VRTGZHBEIVXRSY-QWRGUYRKSA-N -1 3 365.390 0.734 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)n1 ZINC000271312368 211377944 /nfs/dbraw/zinc/37/79/44/211377944.db2.gz VRTGZHBEIVXRSY-QWRGUYRKSA-N -1 3 365.390 0.734 10 0 FCAEHM CC[C@H](C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])N(C)C ZINC000271428197 211399525 /nfs/dbraw/zinc/39/95/25/211399525.db2.gz GBFQBNKWGCLVGQ-CQSZACIVSA-N -1 3 371.459 0.692 10 0 FCAEHM COc1nnc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)[n-]1 ZINC000271367251 211387914 /nfs/dbraw/zinc/38/79/14/211387914.db2.gz OKBVEQVVVROKEP-NSHDSACASA-N -1 3 365.415 0.853 10 0 FCAEHM COc1nc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)n[n-]1 ZINC000271367251 211387922 /nfs/dbraw/zinc/38/79/22/211387922.db2.gz OKBVEQVVVROKEP-NSHDSACASA-N -1 3 365.415 0.853 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)n1 ZINC000271367251 211387924 /nfs/dbraw/zinc/38/79/24/211387924.db2.gz OKBVEQVVVROKEP-NSHDSACASA-N -1 3 365.415 0.853 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000270926627 211301098 /nfs/dbraw/zinc/30/10/98/211301098.db2.gz KUHZHWMUENXYGK-MNOVXSKESA-N -1 3 368.752 0.299 10 0 FCAEHM O=C(NC[C@H]1CCCCN1C(=O)C[C@@H]1NC(=O)[N-]C1=O)Nc1ccccc1 ZINC000270842242 211280377 /nfs/dbraw/zinc/28/03/77/211280377.db2.gz IDGCTRHIXZYSDW-KGLIPLIRSA-N -1 3 373.413 0.787 10 0 FCAEHM CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)C1 ZINC000270712849 211253688 /nfs/dbraw/zinc/25/36/88/211253688.db2.gz OXXVEBNNNQYLLN-MNOVXSKESA-N -1 3 354.407 0.442 10 0 FCAEHM COc1cc(OC)cc(OCCCN(C)C(=O)C[C@@H]2NC(=O)[N-]C2=O)c1 ZINC000270718044 211253409 /nfs/dbraw/zinc/25/34/09/211253409.db2.gz CTOFONFKHXJFKM-AWEZNQCLSA-N -1 3 365.386 0.529 10 0 FCAEHM C[C@H]1CN(Cc2ccc(CNC(=O)C[C@@H]3NC(=O)[N-]C3=O)cc2)C[C@H](C)O1 ZINC000270619964 211236206 /nfs/dbraw/zinc/23/62/06/211236206.db2.gz RKEXZVHYMFFKHH-XEZPLFJOSA-N -1 3 374.441 0.510 10 0 FCAEHM COc1ccc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)cc1N1CCCCC1=O ZINC000270619693 211236387 /nfs/dbraw/zinc/23/63/87/211236387.db2.gz STXWZYBBESPUHO-NSHDSACASA-N -1 3 360.370 0.749 10 0 FCAEHM C[C@H]1CN(Cc2cccc(CNC(=O)C[C@@H]3NC(=O)[N-]C3=O)c2)CCO1 ZINC000270616439 211234731 /nfs/dbraw/zinc/23/47/31/211234731.db2.gz SDKUMMCUKDWHQI-WFASDCNBSA-N -1 3 360.414 0.122 10 0 FCAEHM Cc1nn(C)c(C)c1NC(=O)C(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000270130483 211156190 /nfs/dbraw/zinc/15/61/90/211156190.db2.gz RXGIROSRTITHSG-UHFFFAOYSA-N -1 3 373.413 0.617 10 0 FCAEHM O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)NCc1ncccc1[O-] ZINC000471505962 250106291 /nfs/dbraw/zinc/10/62/91/250106291.db2.gz SGFXGYSZQPBDNZ-UHFFFAOYSA-N -1 3 361.402 0.841 10 0 FCAEHM CCCS(=O)(=O)N1CCC(NC(=O)NCc2ncccc2[O-])CC1 ZINC000471605772 250108807 /nfs/dbraw/zinc/10/88/07/250108807.db2.gz NYLNCYZQPKXNCW-UHFFFAOYSA-N -1 3 356.448 0.791 10 0 FCAEHM Cc1nn(C)c(C)c1NC(=O)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000269988807 211133482 /nfs/dbraw/zinc/13/34/82/211133482.db2.gz XRTGWIUAAHBRHR-UHFFFAOYSA-N -1 3 359.386 0.227 10 0 FCAEHM CC(C)[C@@H](O)CNC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000269831958 211093209 /nfs/dbraw/zinc/09/32/09/211093209.db2.gz AEQQFZQYALBUQO-VIFPVBQESA-N -1 3 369.896 0.996 10 0 FCAEHM CC(C)CCn1ccc(=NC(=O)C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)[nH]1 ZINC000472978922 250191319 /nfs/dbraw/zinc/19/13/19/250191319.db2.gz OZCMZOPZXMAFBG-ZDUSSCGKSA-N -1 3 360.418 0.925 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)[C@@H]1CSC(=O)N1 ZINC000269797779 211082081 /nfs/dbraw/zinc/08/20/81/211082081.db2.gz JLWWNJZKUQDDFB-LURJTMIESA-N -1 3 369.877 0.621 10 0 FCAEHM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-]C[C@H](O)C(C)C)c1 ZINC000269767240 211071626 /nfs/dbraw/zinc/07/16/26/211071626.db2.gz LLKRQYPDUBSSPI-LBPRGKRZSA-N -1 3 359.400 0.555 10 0 FCAEHM C[C@@H](CC(N)=O)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000482312201 250386848 /nfs/dbraw/zinc/38/68/48/250386848.db2.gz MQQWMOQZUSBAQB-VIFPVBQESA-N -1 3 368.390 0.948 10 0 FCAEHM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-][C@@H]2CCCOC2)c1 ZINC000269682296 211043768 /nfs/dbraw/zinc/04/37/68/211043768.db2.gz SVXXYMYUVFWYQB-LLVKDONJSA-N -1 3 357.384 0.717 10 0 FCAEHM C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000269598471 211019228 /nfs/dbraw/zinc/01/92/28/211019228.db2.gz GIXJZNURMRDOPW-LBPRGKRZSA-N -1 3 357.414 0.836 10 0 FCAEHM O=C(Cc1ccc(Br)cc1)N1CC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000084796114 208111652 /nfs/dbraw/zinc/11/16/52/208111652.db2.gz IEAIBHIKNFDPLL-AWEZNQCLSA-N -1 3 352.188 0.802 10 0 FCAEHM Cc1nccn1-c1ccc([C@@H](C)NC(=O)c2[nH]c(=O)[n-]c(=O)c2N)cc1 ZINC000119317025 208360019 /nfs/dbraw/zinc/36/00/19/208360019.db2.gz FWVLKSXGTAHROR-SECBINFHSA-N -1 3 354.370 0.631 10 0 FCAEHM CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119665925 208365396 /nfs/dbraw/zinc/36/53/96/208365396.db2.gz YMSMDMSDBDFKRS-GFCCVEGCSA-N -1 3 366.447 0.953 10 0 FCAEHM CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119665925 208365398 /nfs/dbraw/zinc/36/53/98/208365398.db2.gz YMSMDMSDBDFKRS-GFCCVEGCSA-N -1 3 366.447 0.953 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)CCn2nnc3ccccc3c2=O)n[n-]1 ZINC000119894623 208369731 /nfs/dbraw/zinc/36/97/31/208369731.db2.gz RLSMDFKCAVWXEX-UHFFFAOYSA-N -1 3 364.369 0.944 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)CCn2nnc3ccccc3c2=O)[n-]n1 ZINC000119894623 208369736 /nfs/dbraw/zinc/36/97/36/208369736.db2.gz RLSMDFKCAVWXEX-UHFFFAOYSA-N -1 3 364.369 0.944 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000120623058 208388336 /nfs/dbraw/zinc/38/83/36/208388336.db2.gz GIEBBEQEYZUQPX-ZANVPECISA-N -1 3 352.341 0.505 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCS(=O)(=O)CC1 ZINC000266636687 210372610 /nfs/dbraw/zinc/37/26/10/210372610.db2.gz KZQCWRJVJVUGSZ-UHFFFAOYSA-N -1 3 374.440 0.429 10 0 FCAEHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCC(C(=O)N(C)C)CC1 ZINC000266580676 210361018 /nfs/dbraw/zinc/36/10/18/210361018.db2.gz TURLGDJYZXBEMN-UHFFFAOYSA-N -1 3 367.427 0.800 10 0 FCAEHM O=C(NC[C@@H]1CN2CCN1CC2)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000179025217 209070192 /nfs/dbraw/zinc/07/01/92/209070192.db2.gz WVYOZNQTYAQQDZ-ZBFHGGJFSA-N -1 3 358.442 0.113 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)NC3CCC(C)(C)CC3)cnc21 ZINC000173304693 229211155 /nfs/dbraw/zinc/21/11/55/229211155.db2.gz PCSJRYNKWBSDGB-UHFFFAOYSA-N -1 3 366.443 0.869 10 0 FCAEHM Cc1nc(C)c(S(=O)(=O)[N-][C@H]2CCC[C@H]2CNS(C)(=O)=O)s1 ZINC000409794474 230045829 /nfs/dbraw/zinc/04/58/29/230045829.db2.gz PEUHYSJGMWQNEV-QWRGUYRKSA-N -1 3 367.518 0.756 10 0 FCAEHM COc1ccsc1S(=O)(=O)[N-][C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000409793017 230047062 /nfs/dbraw/zinc/04/70/62/230047062.db2.gz MTNQDOLAXHTKSE-ZJUUUORDSA-N -1 3 368.502 0.753 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCC[C@@H](O)C(F)(F)F ZINC000410060171 230056001 /nfs/dbraw/zinc/05/60/01/230056001.db2.gz VLFZGMMNOPIAGO-ZCFIWIBFSA-N -1 3 374.113 0.141 10 0 FCAEHM C[C@@]1(c2cccc(C(=O)NCC[C@@H](O)C(F)(F)F)c2)NC(=O)[N-]C1=O ZINC000410053831 230056095 /nfs/dbraw/zinc/05/60/95/230056095.db2.gz VZFWTBCOQWFBAO-YGRLFVJLSA-N -1 3 359.304 0.784 10 0 FCAEHM COCCN1CCCN(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)CC1 ZINC000299668593 488865054 /nfs/dbraw/zinc/86/50/54/488865054.db2.gz SAFWTOCFJJVIEC-UHFFFAOYSA-N -1 3 373.450 0.992 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCCNc1ccc(-c2ccccc2)nn1 ZINC000490210669 484232643 /nfs/dbraw/zinc/23/26/43/484232643.db2.gz PEFBEKMEYPNBAU-ZDUSSCGKSA-N -1 3 354.370 0.270 10 0 FCAEHM COC(=O)[C@@H](CF)[N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000287528723 488878279 /nfs/dbraw/zinc/87/82/79/488878279.db2.gz UJJMKBWZEXLGDO-SECBINFHSA-N -1 3 373.811 0.533 10 0 FCAEHM O=C1[N-]C(=O)[C@@]2(CCCN(S(=O)(=O)c3ccc4c(c3)CCCC4)C2)N1 ZINC000278744853 488893930 /nfs/dbraw/zinc/89/39/30/488893930.db2.gz MYPJBEQLGLHBLJ-KRWDZBQOSA-N -1 3 363.439 0.928 10 0 FCAEHM O=C1[N-]C(=O)[C@]2(CCCN(S(=O)(=O)c3ccc(-n4cccc4)cc3)C2)N1 ZINC000278798758 488896800 /nfs/dbraw/zinc/89/68/00/488896800.db2.gz RDUFEHSVQVSNEA-QGZVFWFLSA-N -1 3 374.422 0.840 10 0 FCAEHM Cc1cccc(OCCNC(=O)[C@@H](C)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000279002284 488909919 /nfs/dbraw/zinc/90/99/19/488909919.db2.gz CWQXRQGNLLWHPA-AUUYWEPGSA-N -1 3 374.441 0.553 10 0 FCAEHM COc1ccccc1N1CC[C@@H](N2CCC[C@]3(C2)NC(=O)[N-]C3=O)C1=O ZINC000279037159 488912883 /nfs/dbraw/zinc/91/28/83/488912883.db2.gz IYAXVFMKNTVWHQ-FZKQIMNGSA-N -1 3 358.398 0.475 10 0 FCAEHM O=C(Nc1cccc(C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1)C1CC1 ZINC000279054782 488913194 /nfs/dbraw/zinc/91/31/94/488913194.db2.gz BBNKMXMWHPKIEO-GOSISDBHSA-N -1 3 356.382 0.849 10 0 FCAEHM COc1ccccc1CNC(=O)[C@H](C)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279047499 488913637 /nfs/dbraw/zinc/91/36/37/488913637.db2.gz JZWBGCGUAOSJFR-SGTLLEGYSA-N -1 3 360.414 0.374 10 0 FCAEHM COc1ccc(-c2noc(CN3CCC[C@@]4(C3)NC(=O)[N-]C4=O)n2)cc1 ZINC000279056962 488914067 /nfs/dbraw/zinc/91/40/67/488914067.db2.gz LFMPXINNXYESBL-KRWDZBQOSA-N -1 3 357.370 0.919 10 0 FCAEHM Cn1ccc([C@@H](NC(=O)C[C@@H]2NC(=O)[N-]C2=O)c2ccc(Cl)cc2)n1 ZINC000364018283 488914419 /nfs/dbraw/zinc/91/44/19/488914419.db2.gz ZZKHWBAZTXHYEH-JSGCOSHPSA-N -1 3 361.789 0.877 10 0 FCAEHM CC(=O)c1cccc(OC[C@@H](O)CN2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000279071824 488914864 /nfs/dbraw/zinc/91/48/64/488914864.db2.gz MSLXWCSGNOTFDT-KSSFIOAISA-N -1 3 361.398 0.303 10 0 FCAEHM O=C1[N-]C(=O)[C@]2(CCCN(c3ccc4nnc(-c5ccccc5)n4n3)C2)N1 ZINC000279078389 488915316 /nfs/dbraw/zinc/91/53/16/488915316.db2.gz MJFCTVRTJVEDJV-GOSISDBHSA-N -1 3 363.381 0.970 10 0 FCAEHM CCOCc1ccc(CNC(=O)CN2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000279101852 488917633 /nfs/dbraw/zinc/91/76/33/488917633.db2.gz QZGAPXFLFPSKDD-LJQANCHMSA-N -1 3 374.441 0.513 10 0 FCAEHM CCc1nc(NC(=O)CN2CCC[C@]3(C2)NC(=O)[N-]C3=O)sc1C ZINC000279118259 488918241 /nfs/dbraw/zinc/91/82/41/488918241.db2.gz UKSLTJYIPCPJEL-OAHLLOKOSA-N -1 3 351.432 0.626 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCNC(=O)C[C@@H]1C ZINC000364102473 488923035 /nfs/dbraw/zinc/92/30/35/488923035.db2.gz NLJFOSINVIDBCR-JTQLQIEISA-N -1 3 367.427 0.909 10 0 FCAEHM O=C(CN1CCC[C@]2(C1)NC(=O)[N-]C2=O)Nc1ccnn1C1CCCC1 ZINC000279129868 488919283 /nfs/dbraw/zinc/91/92/83/488919283.db2.gz VWUPUJCJUHOWDO-QGZVFWFLSA-N -1 3 360.418 0.611 10 0 FCAEHM O=C(c1cc(F)cc2[n-]nnc21)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000328657596 488927430 /nfs/dbraw/zinc/92/74/30/488927430.db2.gz PIZHYGGRLHLVQJ-UHFFFAOYSA-N -1 3 367.406 0.783 10 0 FCAEHM O=C(c1cc(F)cc2nn[n-]c21)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000328657596 488927432 /nfs/dbraw/zinc/92/74/32/488927432.db2.gz PIZHYGGRLHLVQJ-UHFFFAOYSA-N -1 3 367.406 0.783 10 0 FCAEHM O=C(c1cc(F)cc2n[n-]nc21)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000328657596 488927435 /nfs/dbraw/zinc/92/74/35/488927435.db2.gz PIZHYGGRLHLVQJ-UHFFFAOYSA-N -1 3 367.406 0.783 10 0 FCAEHM COc1ccc(C=CC(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c(OC)c1 ZINC000279350926 488934772 /nfs/dbraw/zinc/93/47/72/488934772.db2.gz CLDPVMGUFNSVCQ-FZMUQLTDSA-N -1 3 359.382 0.918 10 0 FCAEHM O=C(CNC(=O)OCc1ccccc1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279486658 488946286 /nfs/dbraw/zinc/94/62/86/488946286.db2.gz MXESVCUXGDPPHA-KRWDZBQOSA-N -1 3 360.370 0.113 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CC(=O)N(CC2CC2)C1 ZINC000279483754 488946018 /nfs/dbraw/zinc/94/60/18/488946018.db2.gz OGJKONFBRUNFQL-NSHDSACASA-N -1 3 369.418 0.531 10 0 FCAEHM CN(CC(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O)C(=O)OCc1ccccc1 ZINC000279516363 488948937 /nfs/dbraw/zinc/94/89/37/488948937.db2.gz PAJIXROYPISVKK-GOSISDBHSA-N -1 3 374.397 0.456 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC000279527524 488950141 /nfs/dbraw/zinc/95/01/41/488950141.db2.gz MQGTUOKDXMJNBD-HZMBPMFUSA-N -1 3 357.457 0.154 10 0 FCAEHM CCc1nc2ccccc2n1CC(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279574575 488953247 /nfs/dbraw/zinc/95/32/47/488953247.db2.gz TUTQGIAPZGCQBQ-SFHVURJKSA-N -1 3 355.398 0.799 10 0 FCAEHM O=C(N1CCC[C@]2(C1)NC(=O)[N-]C2=O)C1(c2ccccc2)CCOCC1 ZINC000279576308 488953253 /nfs/dbraw/zinc/95/32/53/488953253.db2.gz TYBIXYHPSMKXNX-LJQANCHMSA-N -1 3 357.410 0.935 10 0 FCAEHM O=C(C[C@@H](O)c1ccc(Cl)cc1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279633368 488958310 /nfs/dbraw/zinc/95/83/10/488958310.db2.gz YGRGCZNUUXUZEO-WBMJQRKESA-N -1 3 351.790 0.964 10 0 FCAEHM CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000012767909 487558765 /nfs/dbraw/zinc/55/87/65/487558765.db2.gz PSPKFBUJRLDQHI-JTQLQIEISA-N -1 3 373.196 0.988 10 0 FCAEHM CC(C)C(=O)N1CCC(NC(=O)C[N-]S(=O)(=O)c2cccs2)CC1 ZINC000033046760 487791065 /nfs/dbraw/zinc/79/10/65/487791065.db2.gz ICNVQUCROOCGEK-UHFFFAOYSA-N -1 3 373.500 0.790 10 0 FCAEHM CC(C)C(=O)N1CCN(C(=O)C[N-]S(=O)(=O)c2cccs2)CC1 ZINC000042017898 487852228 /nfs/dbraw/zinc/85/22/28/487852228.db2.gz ZYIFNYOBHFDLKM-UHFFFAOYSA-N -1 3 359.473 0.353 10 0 FCAEHM CCCCNS(=O)(=O)c1cccc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)c1 ZINC000042849703 487880368 /nfs/dbraw/zinc/88/03/68/487880368.db2.gz DGBCVPFDWFGLOD-LBPRGKRZSA-N -1 3 368.415 0.302 10 0 FCAEHM COc1cc[n-]c(=NNC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)n1 ZINC000046364322 487978637 /nfs/dbraw/zinc/97/86/37/487978637.db2.gz YAWOEXXNMSHLLU-UHFFFAOYSA-N -1 3 362.390 0.429 10 0 FCAEHM CCS(=O)(=O)N(C)CCC[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000056057253 488250736 /nfs/dbraw/zinc/25/07/36/488250736.db2.gz BWJUGYZIGLLREW-UHFFFAOYSA-N -1 3 372.900 0.332 10 0 FCAEHM Cc1cccc([C@H](CNC(=O)C[C@@H]2NC(=O)[N-]C2=O)N2CCOCC2)c1 ZINC000057256320 488269095 /nfs/dbraw/zinc/26/90/95/488269095.db2.gz HOEYHFMCZVMYTD-GJZGRUSLSA-N -1 3 360.414 0.083 10 0 FCAEHM CCOC(=O)C(C)(C)NC(=O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000066773825 488336835 /nfs/dbraw/zinc/33/68/35/488336835.db2.gz HCAPTILTXYFKEA-UHFFFAOYSA-N -1 3 360.407 0.952 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000067865710 488357073 /nfs/dbraw/zinc/35/70/73/488357073.db2.gz ZLJDLHOLOLFPIO-RYUDHWBXSA-N -1 3 355.435 0.845 10 0 FCAEHM Cc1csc([C@@H](C)NC(=O)C[N-]S(=O)(=O)c2cn(C)c(C)n2)n1 ZINC000067938489 488358440 /nfs/dbraw/zinc/35/84/40/488358440.db2.gz XSOYKIOFVBOLPY-SECBINFHSA-N -1 3 357.461 0.649 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCOC[C@@H]1CCOC1 ZINC000068537005 488367369 /nfs/dbraw/zinc/36/73/69/488367369.db2.gz FJSXEWCRCNGTTO-QWHCGFSZSA-N -1 3 374.434 0.662 10 0 FCAEHM CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000068961838 488370300 /nfs/dbraw/zinc/37/03/00/488370300.db2.gz ZGLZJSVCTCZGOG-CYBMUJFWSA-N -1 3 364.431 0.297 10 0 FCAEHM CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000068961838 488370301 /nfs/dbraw/zinc/37/03/01/488370301.db2.gz ZGLZJSVCTCZGOG-CYBMUJFWSA-N -1 3 364.431 0.297 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)Nc1cc(OC)c(OC)cc1C ZINC000268141527 488389322 /nfs/dbraw/zinc/38/93/22/488389322.db2.gz IYOSSYWRGYXBEP-UHFFFAOYSA-N -1 3 360.432 0.907 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000188763205 488413671 /nfs/dbraw/zinc/41/36/71/488413671.db2.gz JBPPKQGUVULSAM-ZDUSSCGKSA-N -1 3 350.806 0.412 10 0 FCAEHM O=c1[n-]c(CN2CCN(c3ccc4nncn4n3)CC2)nc2ccsc21 ZINC000194206659 488431674 /nfs/dbraw/zinc/43/16/74/488431674.db2.gz ZVAXCSWBRXKNAU-UHFFFAOYSA-N -1 3 368.426 0.745 10 0 FCAEHM CCNC(=O)N1CC[C@@H](NC(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)C1 ZINC000269092082 488468436 /nfs/dbraw/zinc/46/84/36/488468436.db2.gz HORYRBJZAXMXRF-ACJLOTCBSA-N -1 3 373.413 0.275 10 0 FCAEHM CCNC(=O)N1CC[C@@H](NC(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)C1 ZINC000269092084 488468681 /nfs/dbraw/zinc/46/86/81/488468681.db2.gz HORYRBJZAXMXRF-FZKQIMNGSA-N -1 3 373.413 0.275 10 0 FCAEHM CN1CC[C@H](NC(=O)C[C@@H]2NC(=O)[N-]C2=O)[C@H]1c1ccc(Cl)cc1 ZINC000247816573 488490894 /nfs/dbraw/zinc/49/08/94/488490894.db2.gz WVYGVOSYJLUCFT-SGMGOOAPSA-N -1 3 350.806 0.800 10 0 FCAEHM C[C@@H](Cn1cncn1)NC(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000269482570 488507937 /nfs/dbraw/zinc/50/79/37/488507937.db2.gz LWWZFOQBGKKJLJ-JTQLQIEISA-N -1 3 358.449 0.006 10 0 FCAEHM Nc1nc([C@H]2C[C@@H](NC(=O)Cc3ccc(-n4cnnn4)cc3)C2)cc(=O)[n-]1 ZINC000253535505 488520888 /nfs/dbraw/zinc/52/08/88/488520888.db2.gz XPMLULHPFBDCGK-TXEJJXNPSA-N -1 3 366.385 0.345 10 0 FCAEHM CCn1c(=O)[n-]c(=O)c2c(C(=O)NCC3(C)COC3)cc(C(C)C)nc21 ZINC000112693758 488535638 /nfs/dbraw/zinc/53/56/38/488535638.db2.gz JPTNYKOPSNQZML-UHFFFAOYSA-N -1 3 360.414 0.994 10 0 FCAEHM CN(C)c1ncc(NC(=O)N2CCC[C@@H]2C[C@@]2(C)NC(=O)[N-]C2=O)cn1 ZINC000554487472 491205203 /nfs/dbraw/zinc/20/52/03/491205203.db2.gz SNGSHMJLVOKSQW-BDJLRTHQSA-N -1 3 361.406 0.527 10 0 FCAEHM CSCCCCNC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000119041269 488555144 /nfs/dbraw/zinc/55/51/44/488555144.db2.gz YQSUHDRQDPGTTQ-UHFFFAOYSA-N -1 3 350.238 0.559 10 0 FCAEHM C[C@H](C[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)Cn1cccn1 ZINC000119471751 488557096 /nfs/dbraw/zinc/55/70/96/488557096.db2.gz DFTIFTTWEBNZFU-GFCCVEGCSA-N -1 3 357.457 0.901 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC1(CO)CCOCC1 ZINC000272385906 488577357 /nfs/dbraw/zinc/57/73/57/488577357.db2.gz GFJVATNTFIPOFA-NSHDSACASA-N -1 3 360.407 0.150 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCC(=O)NCC1CC1 ZINC000272445561 488581214 /nfs/dbraw/zinc/58/12/14/488581214.db2.gz IWTDZISHDFKAGF-JTQLQIEISA-N -1 3 357.407 0.135 10 0 FCAEHM COc1nnc(NC(=O)[C@@H]2CC(=O)N(c3cc(OC)cc(OC)c3)C2)[n-]1 ZINC000272610943 488592199 /nfs/dbraw/zinc/59/21/99/488592199.db2.gz ZXJSOERRCRYTEX-SECBINFHSA-N -1 3 361.358 0.822 10 0 FCAEHM COc1nc(NC(=O)[C@@H]2CC(=O)N(c3cc(OC)cc(OC)c3)C2)n[n-]1 ZINC000272610943 488592201 /nfs/dbraw/zinc/59/22/01/488592201.db2.gz ZXJSOERRCRYTEX-SECBINFHSA-N -1 3 361.358 0.822 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@@H]2CC(=O)N(c3cc(OC)cc(OC)c3)C2)n1 ZINC000272610943 488592204 /nfs/dbraw/zinc/59/22/04/488592204.db2.gz ZXJSOERRCRYTEX-SECBINFHSA-N -1 3 361.358 0.822 10 0 FCAEHM COc1ccc(O[C@@H](C)C(=O)N2CCO[C@@H](CN(C)CC(=O)[O-])C2)cc1 ZINC000262969723 488601602 /nfs/dbraw/zinc/60/16/02/488601602.db2.gz RRKPJZHWKVITKN-BBRMVZONSA-N -1 3 366.414 0.706 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)NC[C@@H](O)Cc1ccccc1 ZINC000126807545 488611772 /nfs/dbraw/zinc/61/17/72/488611772.db2.gz MRNNHRQNDHGPHD-ZDUSSCGKSA-N -1 3 354.453 0.746 10 0 FCAEHM COc1cccc(C(=O)N2CCN(c3ncccc3C(N)=O)CC2)c1[O-] ZINC000263691162 488619358 /nfs/dbraw/zinc/61/93/58/488619358.db2.gz GYGJSZLXMCUOEK-UHFFFAOYSA-N -1 3 356.382 0.857 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]CCS(C)(=O)=O)c(Cl)c1 ZINC000263944041 488637904 /nfs/dbraw/zinc/63/79/04/488637904.db2.gz SIUMOUFKTGUHIW-UHFFFAOYSA-N -1 3 355.821 0.450 10 0 FCAEHM CCN(CCc1nccs1)C(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000131438422 488646072 /nfs/dbraw/zinc/64/60/72/488646072.db2.gz BJOFVPXYOLYTPX-UHFFFAOYSA-N -1 3 371.488 0.555 10 0 FCAEHM C[C@@H]([N-]S(C)(=O)=O)c1nc(-c2cc(N3CCN(C)CC3)ccn2)no1 ZINC000273828580 488672570 /nfs/dbraw/zinc/67/25/70/488672570.db2.gz LPEDYMNMJRPEKY-LLVKDONJSA-N -1 3 366.447 0.494 10 0 FCAEHM Cc1cc(F)cc2c(=O)c(C(=O)NC[C@H](O)CN3CCOCC3)c[n-]c12 ZINC000135572108 488673910 /nfs/dbraw/zinc/67/39/10/488673910.db2.gz AOWLJAPVWDUZGO-ZDUSSCGKSA-N -1 3 363.389 0.399 10 0 FCAEHM COC(=O)CCS(=O)(=O)[N-]c1cc(S(=O)(=O)N(C)C)ccc1C ZINC000264452408 488675139 /nfs/dbraw/zinc/67/51/39/488675139.db2.gz DYWHDBMQYXEIAA-UHFFFAOYSA-N -1 3 364.445 0.550 10 0 FCAEHM CNS(=O)(=O)c1cc([N-]S(=O)(=O)CCC(=O)OC)ccc1C ZINC000264497287 488679692 /nfs/dbraw/zinc/67/96/92/488679692.db2.gz PGGMIEIDSMBZLT-UHFFFAOYSA-N -1 3 350.418 0.208 10 0 FCAEHM COc1ccc2c(c1)[n-]cc(C(=O)NCCCN1C(=O)CNC1=O)c2=O ZINC000264502578 488680018 /nfs/dbraw/zinc/68/00/18/488680018.db2.gz QCEJEVWRLSRNNQ-UHFFFAOYSA-N -1 3 358.354 0.621 10 0 FCAEHM Cc1nccc(N2CCN(C(=O)c3ccc4c(c3)C(=O)[N-]C4=O)CC2)n1 ZINC000274184842 488688825 /nfs/dbraw/zinc/68/88/25/488688825.db2.gz KBNPSWNUYINXEE-UHFFFAOYSA-N -1 3 351.366 0.631 10 0 FCAEHM Cc1nc(C)c(CC(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)c(=O)[n-]1 ZINC000145492725 488693290 /nfs/dbraw/zinc/69/32/90/488693290.db2.gz LXYPXEJEPWJZDV-UHFFFAOYSA-N -1 3 372.429 0.823 10 0 FCAEHM CSc1nnc(CCCNC(=O)CN2CC(=O)[N-]C2=O)n1CC(C)C ZINC000264673213 488696757 /nfs/dbraw/zinc/69/67/57/488696757.db2.gz YWRIABQQDUMDOA-UHFFFAOYSA-N -1 3 368.463 0.257 10 0 FCAEHM COc1ccc(CN2CCN(C(=O)CN3CC(=O)[N-]C3=O)CC2)cc1F ZINC000264696397 488699615 /nfs/dbraw/zinc/69/96/15/488699615.db2.gz AZNCLVALWUTKMP-UHFFFAOYSA-N -1 3 364.377 0.030 10 0 FCAEHM C[C@H](NC(=O)CN1CC(=O)[N-]C1=O)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000264696395 488699832 /nfs/dbraw/zinc/69/98/32/488699832.db2.gz AZMFNKWYPYMOET-LBPRGKRZSA-N -1 3 373.413 0.282 10 0 FCAEHM Cc1cccc(NC(=O)N2CCN(C(=O)CN3CC(=O)[N-]C3=O)CC2)c1 ZINC000264719328 488702726 /nfs/dbraw/zinc/70/27/26/488702726.db2.gz FSESVSWTLFHRJJ-UHFFFAOYSA-N -1 3 359.386 0.223 10 0 FCAEHM Cc1cnn([C@H]2CCCN(C(=O)C[N-]S(=O)(=O)c3cn(C)cn3)C2)c1 ZINC000151276930 488703367 /nfs/dbraw/zinc/70/33/67/488703367.db2.gz AXZWESQPLTYWQT-ZDUSSCGKSA-N -1 3 366.447 0.067 10 0 FCAEHM CS(=O)(=O)[N-]c1cc(C(=O)N2CCO[C@@]3(CCOC3)C2)ccc1F ZINC000274399355 488705001 /nfs/dbraw/zinc/70/50/01/488705001.db2.gz DQGSMQIEIKZLSA-HNNXBMFYSA-N -1 3 358.391 0.829 10 0 FCAEHM Cn1cc(N2CCC[C@@H](NC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)C2)cn1 ZINC000151496576 488706034 /nfs/dbraw/zinc/70/60/34/488706034.db2.gz WSTMHJHDRKSKGF-GFCCVEGCSA-N -1 3 353.382 0.703 10 0 FCAEHM CC[C@H]([N-]S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)C(=O)OC ZINC000274425437 488707084 /nfs/dbraw/zinc/70/70/84/488707084.db2.gz FSQZTDAQXPFSHD-ZDUSSCGKSA-N -1 3 368.411 0.544 10 0 FCAEHM CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)c1cccc([O-])c1 ZINC000274457633 488709757 /nfs/dbraw/zinc/70/97/57/488709757.db2.gz JNCKNUHPJMLYNS-QGZVFWFLSA-N -1 3 369.421 0.938 10 0 FCAEHM COc1cc([C@@H](C)NC(=O)CN2CC(=O)[N-]C2=O)cc(OC)c1OC ZINC000264840420 488718065 /nfs/dbraw/zinc/71/80/65/488718065.db2.gz KZFXDNUACBNSJR-SECBINFHSA-N -1 3 351.359 0.441 10 0 FCAEHM COC(=O)[C@H]1CCCN(C(=O)Nc2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)C1 ZINC000274920771 488743989 /nfs/dbraw/zinc/74/39/89/488743989.db2.gz YYWQCESLUHIQKF-JSGCOSHPSA-N -1 3 374.397 0.854 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)NCCc1nnc2n1CCC2 ZINC000554703963 491220486 /nfs/dbraw/zinc/22/04/86/491220486.db2.gz RYRLSPLXBOPRSB-UHFFFAOYSA-N -1 3 368.397 0.389 10 0 FCAEHM COCCS(=O)(=O)[N-]c1cccc(CC(=O)N2CCN(C)CC2)c1 ZINC000267107061 488761640 /nfs/dbraw/zinc/76/16/40/488761640.db2.gz XPPJOHFIPKKHSS-UHFFFAOYSA-N -1 3 355.460 0.391 10 0 FCAEHM C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)CN1CC(=O)[N-]C1=O ZINC000275128491 488764364 /nfs/dbraw/zinc/76/43/64/488764364.db2.gz LKNQFSFMDARHES-MNOVXSKESA-N -1 3 354.407 0.300 10 0 FCAEHM C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)C1CC2(C1)NC(=O)[N-]C2=O ZINC000158082604 488775171 /nfs/dbraw/zinc/77/51/71/488775171.db2.gz GGSVVLKSWWVYPL-VZDIAYEVSA-N -1 3 356.426 0.708 10 0 FCAEHM CCOC(=O)c1ccc(S(=O)(=O)NC2CCN(CC(=O)[O-])CC2)cc1 ZINC000275278752 488779484 /nfs/dbraw/zinc/77/94/84/488779484.db2.gz OAMUWZZOCMHFAF-UHFFFAOYSA-N -1 3 370.427 0.691 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@]1(CCO)CCOC1 ZINC000278033043 488797076 /nfs/dbraw/zinc/79/70/76/488797076.db2.gz HKUMXVPBBWEQOR-XHDPSFHLSA-N -1 3 360.407 0.150 10 0 FCAEHM CCn1c(=O)[n-]c(=O)c2c(C(=O)N(C)[C@H]3CCOC3)cc(C3CC3)nc21 ZINC000162647327 488803761 /nfs/dbraw/zinc/80/37/61/488803761.db2.gz ZADVNLYYIYGSDL-NSHDSACASA-N -1 3 358.398 0.843 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(C(=O)C(C)C)CC2)ccc1F ZINC000267681573 488811795 /nfs/dbraw/zinc/81/17/95/488811795.db2.gz BWKLEMXKGAFHBG-UHFFFAOYSA-N -1 3 371.434 0.674 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CCN3CCCC[C@@H]3C2)cn1C ZINC000171279295 488821848 /nfs/dbraw/zinc/82/18/48/488821848.db2.gz BDHSLVPWKVKGPD-CQSZACIVSA-N -1 3 369.491 0.094 10 0 FCAEHM COc1cc(OC)cc(OCCCNC(=O)CN2CC(=O)[N-]C2=O)c1 ZINC000268026541 488835209 /nfs/dbraw/zinc/83/52/09/488835209.db2.gz XSPLFAVBEZEBBM-UHFFFAOYSA-N -1 3 351.359 0.141 10 0 FCAEHM C[C@H]1CC[C@H](C)N(S(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)C1 ZINC000173212151 488841738 /nfs/dbraw/zinc/84/17/38/488841738.db2.gz SNUQKMLKFBODBS-UWVGGRQHSA-N -1 3 352.416 0.431 10 0 FCAEHM C[C@@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1N)c1ccccc1Br ZINC000174421559 488849023 /nfs/dbraw/zinc/84/90/23/488849023.db2.gz BONOLBRGHSYNSV-ZCFIWIBFSA-N -1 3 353.176 0.899 10 0 FCAEHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000174670275 488850752 /nfs/dbraw/zinc/85/07/52/488850752.db2.gz LOYGLEYUOFWNFP-CYBMUJFWSA-N -1 3 357.414 0.430 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCO[C@@H]2CCC[C@H]21 ZINC000329278506 488988576 /nfs/dbraw/zinc/98/85/76/488988576.db2.gz LGZSVIUBEILRTP-CYZMBNFOSA-N -1 3 357.432 0.738 10 0 FCAEHM CO[C@](C)(CO)C[N-]S(=O)(=O)c1ccc([C@@H](C)NC(C)=O)s1 ZINC000655622968 492464956 /nfs/dbraw/zinc/46/49/56/492464956.db2.gz YMOVSJKGMZQICP-RNCFNFMXSA-N -1 3 350.462 0.621 10 0 FCAEHM O=C(CS(=O)(=O)c1nc(C2CC2)n[n-]1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000329382645 488999163 /nfs/dbraw/zinc/99/91/63/488999163.db2.gz OMDHEJXUSKMVDX-NWDGAFQWSA-N -1 3 354.432 0.626 10 0 FCAEHM O=C(CS(=O)(=O)c1nnc(C2CC2)[n-]1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000329382645 488999166 /nfs/dbraw/zinc/99/91/66/488999166.db2.gz OMDHEJXUSKMVDX-NWDGAFQWSA-N -1 3 354.432 0.626 10 0 FCAEHM O=C(CS(=O)(=O)c1nc(C2CC2)n[n-]1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000329382646 488999236 /nfs/dbraw/zinc/99/92/36/488999236.db2.gz OMDHEJXUSKMVDX-RYUDHWBXSA-N -1 3 354.432 0.626 10 0 FCAEHM O=C(CS(=O)(=O)c1nnc(C2CC2)[n-]1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000329382646 488999240 /nfs/dbraw/zinc/99/92/40/488999240.db2.gz OMDHEJXUSKMVDX-RYUDHWBXSA-N -1 3 354.432 0.626 10 0 FCAEHM C[C@@H](C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O)[C@H](C)NC(=O)OC(C)(C)C ZINC000364791097 489002127 /nfs/dbraw/zinc/00/21/27/489002127.db2.gz PWDMOUSMRBOGPD-VGTOOOLASA-N -1 3 368.434 0.736 10 0 FCAEHM COc1ccc(-n2cc(C[N-]S(=O)(=O)[C@H]3CCO[C@@H]3C)nn2)cc1 ZINC000364794142 489002882 /nfs/dbraw/zinc/00/28/82/489002882.db2.gz QYTFKHFRNGOMLX-ABAIWWIYSA-N -1 3 352.416 0.873 10 0 FCAEHM Cc1cccc(=O)n1C[C@](C)(O)C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000280476503 489011675 /nfs/dbraw/zinc/01/16/75/489011675.db2.gz GAKURDVXGSDSPU-KRWDZBQOSA-N -1 3 356.386 0.670 10 0 FCAEHM Cc1cccc(=O)n1C[C@](C)(O)C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000280476503 489011677 /nfs/dbraw/zinc/01/16/77/489011677.db2.gz GAKURDVXGSDSPU-KRWDZBQOSA-N -1 3 356.386 0.670 10 0 FCAEHM COC(=O)CCCO[N-]C(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C ZINC000288815665 489018740 /nfs/dbraw/zinc/01/87/40/489018740.db2.gz NNLRVMUTPGUNFG-UHFFFAOYSA-N -1 3 359.404 0.957 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(-c2noc(CN3CCOCC3=O)n2)cc1 ZINC000288969452 489032739 /nfs/dbraw/zinc/03/27/39/489032739.db2.gz LVTMUZPGVMRZAQ-UHFFFAOYSA-N -1 3 352.372 0.467 10 0 FCAEHM Cc1cc(N2CCC[C@H]([N-]S(=O)(=O)[C@H]3CCO[C@H](C)C3)C2=O)n(C)n1 ZINC000288976368 489033401 /nfs/dbraw/zinc/03/34/01/489033401.db2.gz AZYFMEZSMXBPEK-RDBSUJKOSA-N -1 3 370.475 0.711 10 0 FCAEHM COC(C)(C)CS(=O)(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000281227161 489062111 /nfs/dbraw/zinc/06/21/11/489062111.db2.gz RSGPFFCRMGXLIG-UHFFFAOYSA-N -1 3 356.444 0.905 10 0 FCAEHM COc1ccc(C(=O)[N-]C(=O)C[N@@H+]2CCC[C@H](c3nc(=O)[n-][nH]3)C2)cc1 ZINC000289397165 489064180 /nfs/dbraw/zinc/06/41/80/489064180.db2.gz KQTQVHYVHBMNJP-LBPRGKRZSA-N -1 3 359.386 0.243 10 0 FCAEHM COc1ccc(C(=O)[N-]C(=O)C[N@H+]2CCC[C@H](c3nc(=O)[n-][nH]3)C2)cc1 ZINC000289397165 489064183 /nfs/dbraw/zinc/06/41/83/489064183.db2.gz KQTQVHYVHBMNJP-LBPRGKRZSA-N -1 3 359.386 0.243 10 0 FCAEHM O=C(CN1CCC[C@H](c2nc(=O)[n-][nH]2)C1)NCCN1CCc2ccccc21 ZINC000289455884 489068240 /nfs/dbraw/zinc/06/82/40/489068240.db2.gz POSPWQKXYPPRKL-HNNXBMFYSA-N -1 3 370.457 0.456 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)Nc2nc(C(F)(F)F)cs2)c1 ZINC000289478622 489070213 /nfs/dbraw/zinc/07/02/13/489070213.db2.gz IBFHEPGCKWCFNE-UHFFFAOYSA-N -1 3 369.350 0.812 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]CCN1CCCOCC1 ZINC000289917588 489102645 /nfs/dbraw/zinc/10/26/45/489102645.db2.gz QLLZKQHSRPYBSY-UHFFFAOYSA-N -1 3 360.432 0.684 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C(C)(C)[C@H](O)C(=O)OC ZINC000289978432 489106349 /nfs/dbraw/zinc/10/63/49/489106349.db2.gz UYTSFMMIBOUPMY-LLVKDONJSA-N -1 3 363.388 0.274 10 0 FCAEHM CCN1CCN(c2ccc(C(=O)N3CCO[C@H](c4nnn[n-]4)C3)cc2)CC1 ZINC000365772015 489111414 /nfs/dbraw/zinc/11/14/14/489111414.db2.gz MGSNGWYJYNIROG-INIZCTEOSA-N -1 3 371.445 0.555 10 0 FCAEHM CCN1CCN(c2ccc(C(=O)N3CCO[C@H](c4nn[n-]n4)C3)cc2)CC1 ZINC000365772015 489111417 /nfs/dbraw/zinc/11/14/17/489111417.db2.gz MGSNGWYJYNIROG-INIZCTEOSA-N -1 3 371.445 0.555 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)c2cnc3c(c2)NC(=O)CS3)nc1=N ZINC000563269486 491234227 /nfs/dbraw/zinc/23/42/27/491234227.db2.gz VASMWLBBFYRWFQ-JTQLQIEISA-N -1 3 359.415 0.644 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)nc1=N ZINC000563266936 491234260 /nfs/dbraw/zinc/23/42/60/491234260.db2.gz CCVBZDCRVSEFJA-WMFXKJRFSA-N -1 3 350.448 0.345 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCC[C@H]1c1cc[nH]n1 ZINC000290323122 489131698 /nfs/dbraw/zinc/13/16/98/489131698.db2.gz BVICXTTVRRTDBD-LBPRGKRZSA-N -1 3 353.404 0.657 10 0 FCAEHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]12 ZINC000366016684 489134773 /nfs/dbraw/zinc/13/47/73/489134773.db2.gz IUNJDBHSBSGAIR-IGJMFERPSA-N -1 3 352.343 0.578 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)N1CCc2cc[nH]c(=O)c2C1 ZINC000290519573 489146694 /nfs/dbraw/zinc/14/66/94/489146694.db2.gz ULQPYSWHNPBEIT-UHFFFAOYSA-N -1 3 365.386 0.790 10 0 FCAEHM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000366125580 489148708 /nfs/dbraw/zinc/14/87/08/489148708.db2.gz DGFYCROOLKLDTG-GTNSWQLSSA-N -1 3 368.434 0.736 10 0 FCAEHM COC(=O)CCS(=O)(=O)[N-]c1ccccc1N(C)S(C)(=O)=O ZINC000290578671 489150764 /nfs/dbraw/zinc/15/07/64/489150764.db2.gz VMCOHWFYCGVDFZ-UHFFFAOYSA-N -1 3 350.418 0.387 10 0 FCAEHM C[C@H]1NC(=O)CC[C@@H]1NC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000282396629 489160363 /nfs/dbraw/zinc/16/03/63/489160363.db2.gz WZWQJPZZVMHGBC-DOMZBBRYSA-N -1 3 360.414 0.527 10 0 FCAEHM C[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000282396640 489160449 /nfs/dbraw/zinc/16/04/49/489160449.db2.gz WZWQJPZZVMHGBC-WFASDCNBSA-N -1 3 360.414 0.527 10 0 FCAEHM CC(C)[C@H](NS(C)(=O)=O)C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000331212371 489185671 /nfs/dbraw/zinc/18/56/71/489185671.db2.gz SHLVJAWODLLZBM-ZDUSSCGKSA-N -1 3 370.431 0.095 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)CCN1CCO ZINC000331209006 489185933 /nfs/dbraw/zinc/18/59/33/489185933.db2.gz QAWZEZMNLPPCMM-LLVKDONJSA-N -1 3 359.423 0.336 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-][C@H]2CCN(C(=O)COc3ccccc3)C2)c1 ZINC000282826666 489192646 /nfs/dbraw/zinc/19/26/46/489192646.db2.gz UYGSVSFGZPVYKE-ZDUSSCGKSA-N -1 3 364.427 0.378 10 0 FCAEHM CCOC(=O)N1CCC[C@H](C(=O)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)C1 ZINC000282871831 489196390 /nfs/dbraw/zinc/19/63/90/489196390.db2.gz IPDZVNPMDPVZHO-RYUDHWBXSA-N -1 3 351.407 0.673 10 0 FCAEHM CCOC(=O)N1CCC[C@@H](C(=O)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)C1 ZINC000282871828 489196540 /nfs/dbraw/zinc/19/65/40/489196540.db2.gz IPDZVNPMDPVZHO-NWDGAFQWSA-N -1 3 351.407 0.673 10 0 FCAEHM CN(C)c1nc(C(=O)Nc2cnn(CCN3CCOCC3)c2)cc(=O)[n-]1 ZINC000555276696 491243730 /nfs/dbraw/zinc/24/37/30/491243730.db2.gz VZPCCVMLDOZGCH-UHFFFAOYSA-N -1 3 361.406 0.029 10 0 FCAEHM O=C(CCCNC(=O)c1ccccc1)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000297657448 489219796 /nfs/dbraw/zinc/21/97/96/489219796.db2.gz FRLGEWORSIPHOW-UHFFFAOYSA-N -1 3 356.386 0.846 10 0 FCAEHM O=C(CCCNC(=O)c1ccccc1)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000297657448 489219799 /nfs/dbraw/zinc/21/97/99/489219799.db2.gz FRLGEWORSIPHOW-UHFFFAOYSA-N -1 3 356.386 0.846 10 0 FCAEHM O=C(CCCNC(=O)c1ccccc1)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000297657448 489219801 /nfs/dbraw/zinc/21/98/01/489219801.db2.gz FRLGEWORSIPHOW-UHFFFAOYSA-N -1 3 356.386 0.846 10 0 FCAEHM O=C(NC1CC1)c1nn[n-]c1NC(=O)c1ccnc(O[C@H]2CCOC2)c1 ZINC000297741433 489233228 /nfs/dbraw/zinc/23/32/28/489233228.db2.gz NEKZSEZLFYFQQV-NSHDSACASA-N -1 3 358.358 0.512 10 0 FCAEHM O=C(NC1CC1)c1[n-]nnc1NC(=O)c1ccnc(O[C@H]2CCOC2)c1 ZINC000297741433 489233230 /nfs/dbraw/zinc/23/32/30/489233230.db2.gz NEKZSEZLFYFQQV-NSHDSACASA-N -1 3 358.358 0.512 10 0 FCAEHM O=C(NC1CC1)c1n[n-]nc1NC(=O)c1ccnc(O[C@H]2CCOC2)c1 ZINC000297741433 489233233 /nfs/dbraw/zinc/23/32/33/489233233.db2.gz NEKZSEZLFYFQQV-NSHDSACASA-N -1 3 358.358 0.512 10 0 FCAEHM CCOC(=O)c1ccc(C(=O)Nc2[n-]nnc2C(=O)NC2CC2)nc1C ZINC000297751110 489234868 /nfs/dbraw/zinc/23/48/68/489234868.db2.gz OGDKVFQMXIPYQO-UHFFFAOYSA-N -1 3 358.358 0.829 10 0 FCAEHM CCOC(=O)c1ccc(C(=O)Nc2nn[n-]c2C(=O)NC2CC2)nc1C ZINC000297751110 489234872 /nfs/dbraw/zinc/23/48/72/489234872.db2.gz OGDKVFQMXIPYQO-UHFFFAOYSA-N -1 3 358.358 0.829 10 0 FCAEHM CCOC(=O)c1ccc(C(=O)Nc2n[n-]nc2C(=O)NC2CC2)nc1C ZINC000297751110 489234876 /nfs/dbraw/zinc/23/48/76/489234876.db2.gz OGDKVFQMXIPYQO-UHFFFAOYSA-N -1 3 358.358 0.829 10 0 FCAEHM CC[C@](C)(CO)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000563397356 491241707 /nfs/dbraw/zinc/24/17/07/491241707.db2.gz FWEJTHSXMZLWAS-CQSZACIVSA-N -1 3 350.387 0.768 10 0 FCAEHM COc1ccnc(C[N-]S(=O)(=O)CCC(C)(C)S(C)(=O)=O)c1F ZINC000657159073 492734066 /nfs/dbraw/zinc/73/40/66/492734066.db2.gz SALGYTACAYUWHT-UHFFFAOYSA-N -1 3 368.452 0.862 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CC(=O)N(C)C2=O)c(Cl)c1 ZINC000283659769 489288270 /nfs/dbraw/zinc/28/82/70/489288270.db2.gz ZBCVPVOBRQGTMZ-SECBINFHSA-N -1 3 360.775 0.162 10 0 FCAEHM CSc1nc(C)c(CCC(=O)N2CCN(CCN(C)C)CC2)c(=O)[n-]1 ZINC000298087092 489288596 /nfs/dbraw/zinc/28/85/96/489288596.db2.gz JDMQGKCDPQKAHV-UHFFFAOYSA-N -1 3 367.519 0.851 10 0 FCAEHM Cc1n[nH]cc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CCCCCO1 ZINC000349458788 489290995 /nfs/dbraw/zinc/29/09/95/489290995.db2.gz FZHJFLDLMLFQCP-UHFFFAOYSA-N -1 3 366.465 0.597 10 0 FCAEHM CC[C@H]1CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1cnc(C)nc1 ZINC000349485498 489297710 /nfs/dbraw/zinc/29/77/10/489297710.db2.gz UHFDABJNPOPUMK-ZDUSSCGKSA-N -1 3 362.477 0.731 10 0 FCAEHM Cc1n[nH]cc1[N-]S(=O)(=O)CCCS(=O)(=O)NCC1(C)CCC1 ZINC000349563914 489315781 /nfs/dbraw/zinc/31/57/81/489315781.db2.gz BZRPMNPNIUFJAR-UHFFFAOYSA-N -1 3 364.493 0.960 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CCO[C@]2(CCCOC2)C1 ZINC000285846731 489325460 /nfs/dbraw/zinc/32/54/60/489325460.db2.gz HKCYQIPESVPBGQ-OAHLLOKOSA-N -1 3 374.484 0.825 10 0 FCAEHM Cc1n[nH]cc1[N-]S(=O)(=O)CCCCS(=O)(=O)N1C[C@H](C)[C@@H]1C ZINC000349607212 489326962 /nfs/dbraw/zinc/32/69/62/489326962.db2.gz LQGHVQOIAIHSPB-JQWIXIFHSA-N -1 3 364.493 0.910 10 0 FCAEHM O=C1CN(Cc2nc([C@@H]3CN(Cc4ccccc4)CCO3)no2)C(=O)[N-]1 ZINC000349836141 489332234 /nfs/dbraw/zinc/33/22/34/489332234.db2.gz DMJUGMRZXUYVNV-ZDUSSCGKSA-N -1 3 357.370 0.695 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)oc1C ZINC000370265187 489337521 /nfs/dbraw/zinc/33/75/21/489337521.db2.gz NBWFBYRJINXVFY-HLUHBDAQSA-N -1 3 356.400 0.662 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCc2nc([C@H]3CCOC[C@H]3C)no2)cn1C ZINC000350605315 489342632 /nfs/dbraw/zinc/34/26/32/489342632.db2.gz ZWDJGCDEUPHVOB-PWSUYJOCSA-N -1 3 369.447 0.773 10 0 FCAEHM C[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CCN1CCO ZINC000370399447 489354425 /nfs/dbraw/zinc/35/44/25/489354425.db2.gz KRESPCNGMBCHOY-HOCLYGCPSA-N -1 3 361.442 0.522 10 0 FCAEHM CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000286116378 489358140 /nfs/dbraw/zinc/35/81/40/489358140.db2.gz WPNKTVJGGMCWNI-RYUDHWBXSA-N -1 3 354.407 0.492 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]C[C@@H](CO)[C@H]1CCOC1 ZINC000632298196 492967705 /nfs/dbraw/zinc/96/77/05/492967705.db2.gz FMBPCOUPHKPLDM-IUCAKERBSA-N -1 3 357.354 0.362 10 0 FCAEHM CC[C@H](C)NC(=O)CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000299036942 489398107 /nfs/dbraw/zinc/39/81/07/489398107.db2.gz XMYQKXIRYCWTAX-RYUDHWBXSA-N -1 3 373.450 0.914 10 0 FCAEHM CNC(=O)Cn1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cn1 ZINC000363045325 489416027 /nfs/dbraw/zinc/41/60/27/489416027.db2.gz GPWHIMOBRZWUNA-AWEZNQCLSA-N -1 3 371.397 0.578 10 0 FCAEHM COc1cccc(CS(=O)(=O)[N-][C@@H]2CCN(c3cnn(C)c3)C2=O)c1 ZINC000363125047 489427012 /nfs/dbraw/zinc/42/70/12/489427012.db2.gz GYDZAHVHAQDQHB-OAHLLOKOSA-N -1 3 364.427 0.654 10 0 FCAEHM CCN1CC[C@H]2OCCN(CC3=Nc4ccccc4S(=O)(=O)[N-]3)[C@H]2C1 ZINC000555590931 491258166 /nfs/dbraw/zinc/25/81/66/491258166.db2.gz OIZKDZWPQQWKBA-LSDHHAIUSA-N -1 3 364.471 0.804 10 0 FCAEHM Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)CN3CC(=O)[N-]C3=O)C2)n1 ZINC000363395399 489462315 /nfs/dbraw/zinc/46/23/15/489462315.db2.gz KATRHPCODNQYHW-LBPRGKRZSA-N -1 3 359.386 0.119 10 0 FCAEHM CC(C)CN(CC(N)=O)C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000299631394 489465103 /nfs/dbraw/zinc/46/51/03/489465103.db2.gz SPDAULAVMCGQLL-NSHDSACASA-N -1 3 359.423 0.462 10 0 FCAEHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000363437835 489466908 /nfs/dbraw/zinc/46/69/08/489466908.db2.gz YACGWKCQRNKUPO-NDMJEZRESA-N -1 3 370.402 0.900 10 0 FCAEHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CC[C@H](C(=O)OC)C1 ZINC000287265776 489473804 /nfs/dbraw/zinc/47/38/04/489473804.db2.gz ABCRDOWHMUJFSI-VIFPVBQESA-N -1 3 354.384 0.803 10 0 FCAEHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000363532601 489476468 /nfs/dbraw/zinc/47/64/68/489476468.db2.gz KGEXYGVWNVQYCK-IRUJWGPZSA-N -1 3 370.402 0.900 10 0 FCAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@@H](CF)C(=O)OC ZINC000451564494 489509911 /nfs/dbraw/zinc/50/99/11/489509911.db2.gz LUAMCSVKUCKRHS-BQBZGAKWSA-N -1 3 353.290 0.301 10 0 FCAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C1(CC(N)=O)CCC1 ZINC000451301947 489498220 /nfs/dbraw/zinc/49/82/20/489498220.db2.gz YMHJXXUALAWQHK-MRVPVSSYSA-N -1 3 360.354 0.588 10 0 FCAEHM CCOc1ccncc1S(=O)(=O)[N-]C[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000451370733 489500942 /nfs/dbraw/zinc/50/09/42/489500942.db2.gz CVPSTNFQPMAUOH-YPMHNXCESA-N -1 3 357.432 0.394 10 0 FCAEHM CCOc1ccncc1S(=O)(=O)[N-]C[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000451370732 489501082 /nfs/dbraw/zinc/50/10/82/489501082.db2.gz CVPSTNFQPMAUOH-WCQYABFASA-N -1 3 357.432 0.394 10 0 FCAEHM CCOC(=O)[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cccnc2C(=O)OC)C1 ZINC000451485484 489506520 /nfs/dbraw/zinc/50/65/20/489506520.db2.gz BAHXNQODIAYZEP-MNOVXSKESA-N -1 3 356.400 0.878 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCCN2CCO)s1 ZINC000451675127 489517540 /nfs/dbraw/zinc/51/75/40/489517540.db2.gz ZQCWVCZDILIZPK-NSHDSACASA-N -1 3 362.473 0.660 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CCCCN2CCO)s1 ZINC000451675125 489517662 /nfs/dbraw/zinc/51/76/62/489517662.db2.gz ZQCWVCZDILIZPK-LLVKDONJSA-N -1 3 362.473 0.660 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)N1CCN2CCOC[C@H]2C1 ZINC000371869699 489520249 /nfs/dbraw/zinc/52/02/49/489520249.db2.gz JWYMTIGJSVOSHK-CYBMUJFWSA-N -1 3 371.434 0.037 10 0 FCAEHM CCc1ncc(C[N-]S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)o1 ZINC000451963561 489534809 /nfs/dbraw/zinc/53/48/09/489534809.db2.gz ZTIOUCFLHHEFIO-UHFFFAOYSA-N -1 3 373.456 0.966 10 0 FCAEHM CCC1(CC)NC(=O)N(CC(=O)Nc2cc(-c3nccn3C)[n-]n2)C1=O ZINC000372085321 489543357 /nfs/dbraw/zinc/54/33/57/489543357.db2.gz GTLOEEBJMUZYLB-UHFFFAOYSA-N -1 3 359.390 0.859 10 0 FCAEHM CCC1(CC)NC(=O)N(CC(=O)Nc2cc(-c3nccn3C)n[n-]2)C1=O ZINC000372085321 489543360 /nfs/dbraw/zinc/54/33/60/489543360.db2.gz GTLOEEBJMUZYLB-UHFFFAOYSA-N -1 3 359.390 0.859 10 0 FCAEHM CCOC(=O)[C@@H]1CN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)CC12COC2 ZINC000454259790 489567256 /nfs/dbraw/zinc/56/72/56/489567256.db2.gz FGXUFDGWJJESKW-ZDUSSCGKSA-N -1 3 373.365 0.614 10 0 FCAEHM CCOCCOC[C@@H](O)C[N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C ZINC000416471624 489597175 /nfs/dbraw/zinc/59/71/75/489597175.db2.gz QNVZABZYLOLHHO-STQMWFEESA-N -1 3 361.464 0.473 10 0 FCAEHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H](CO)c2ccnn2C)c1 ZINC000416547489 489608732 /nfs/dbraw/zinc/60/87/32/489608732.db2.gz LSGBBQZJGCJJKW-ZDUSSCGKSA-N -1 3 371.390 0.748 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@H](CCO)c1ccccc1Br ZINC000563743789 491266679 /nfs/dbraw/zinc/26/66/79/491266679.db2.gz DHSKDVONWPVFJJ-MNOVXSKESA-N -1 3 370.203 0.587 10 0 FCAEHM CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)CNC(=O)c1cccc([O-])c1 ZINC000427811117 489622065 /nfs/dbraw/zinc/62/20/65/489622065.db2.gz KVTAOCHDMBPCNI-ZFWWWQNUSA-N -1 3 364.398 0.691 10 0 FCAEHM C[C@@]1(O)C[C@H](NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)C1 ZINC000416670774 489626039 /nfs/dbraw/zinc/62/60/39/489626039.db2.gz UOIREOXJTCQRHE-LYWQIFSTSA-N -1 3 352.409 0.389 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)NC2(C(=O)Nc3ccccc3)CC2)cn1 ZINC000428761033 489663496 /nfs/dbraw/zinc/66/34/96/489663496.db2.gz CAEQUFAKGCLYSO-UHFFFAOYSA-N -1 3 374.422 0.891 10 0 FCAEHM CC1(C)COC[C@H]1NC(=O)NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000458230588 489674286 /nfs/dbraw/zinc/67/42/86/489674286.db2.gz RBLIOXJATAOSOH-FZKQIMNGSA-N -1 3 360.414 0.965 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N[C@@H]3C[C@@H]3c3ccccc3)cnc21 ZINC000488969312 489689644 /nfs/dbraw/zinc/68/96/44/489689644.db2.gz LGCSGURDGZKYKI-TZMCWYRMSA-N -1 3 372.406 0.869 10 0 FCAEHM Cc1ccccc1[C@H](CC(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1)NC(N)=O ZINC000570886731 491271619 /nfs/dbraw/zinc/27/16/19/491271619.db2.gz GHJOUDVQZBHAGC-UONOGXRCSA-N -1 3 371.445 0.999 10 0 FCAEHM O=C([N-]c1cnns1)C(=O)NC[C@H](CO)Cc1ccc(F)c(F)c1 ZINC000430029751 489715735 /nfs/dbraw/zinc/71/57/35/489715735.db2.gz VRHAQMCKUKAYLY-SECBINFHSA-N -1 3 356.354 0.722 10 0 FCAEHM COCCN(C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F)[C@@H]1CCOC1 ZINC000470566733 489726410 /nfs/dbraw/zinc/72/64/10/489726410.db2.gz YGWQMAJZPVJEIR-QWHCGFSZSA-N -1 3 374.434 0.756 10 0 FCAEHM CNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cc1 ZINC000473902643 489741886 /nfs/dbraw/zinc/74/18/86/489741886.db2.gz PLNZZKMJIMSTLQ-UHFFFAOYSA-N -1 3 372.410 0.951 10 0 FCAEHM CNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cc1 ZINC000473902643 489741889 /nfs/dbraw/zinc/74/18/89/489741889.db2.gz PLNZZKMJIMSTLQ-UHFFFAOYSA-N -1 3 372.410 0.951 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)Cc2cnc(N(C)C)nc2)cn1 ZINC000474200931 489745911 /nfs/dbraw/zinc/74/59/11/489745911.db2.gz WFTOAHBGZLPIQH-UHFFFAOYSA-N -1 3 364.431 0.118 10 0 FCAEHM COCCN(C(=O)CCn1[n-]c(=O)c2ccccc2c1=O)[C@H]1CCOC1 ZINC000490321178 489761914 /nfs/dbraw/zinc/76/19/14/489761914.db2.gz IKOCHLHCHRRDLP-ZDUSSCGKSA-N -1 3 361.398 0.756 10 0 FCAEHM CNC(=O)c1cccc(OCC(=O)Nc2nnc(SCCO)[n-]2)c1 ZINC000490587987 489776227 /nfs/dbraw/zinc/77/62/27/489776227.db2.gz QCCCWANHUPWXNL-UHFFFAOYSA-N -1 3 351.388 0.266 10 0 FCAEHM CNC(=O)c1cccc(OCC(=O)Nc2nc(SCCO)n[n-]2)c1 ZINC000490587987 489776230 /nfs/dbraw/zinc/77/62/30/489776230.db2.gz QCCCWANHUPWXNL-UHFFFAOYSA-N -1 3 351.388 0.266 10 0 FCAEHM CNC(=O)c1cccc(OCC(=O)Nc2n[n-]c(SCCO)n2)c1 ZINC000490587987 489776232 /nfs/dbraw/zinc/77/62/32/489776232.db2.gz QCCCWANHUPWXNL-UHFFFAOYSA-N -1 3 351.388 0.266 10 0 FCAEHM COc1nc(NC(=O)CCC(=O)NCC(=O)c2ccc(OC)cc2)n[n-]1 ZINC000490661704 489778998 /nfs/dbraw/zinc/77/89/98/489778998.db2.gz QHZFMNACVCVORF-UHFFFAOYSA-N -1 3 361.358 0.540 10 0 FCAEHM COc1nnc(NC(=O)CCC(=O)NCC(=O)c2ccc(OC)cc2)[n-]1 ZINC000490661704 489779000 /nfs/dbraw/zinc/77/90/00/489779000.db2.gz QHZFMNACVCVORF-UHFFFAOYSA-N -1 3 361.358 0.540 10 0 FCAEHM COc1n[n-]c(NC(=O)CCC(=O)NCC(=O)c2ccc(OC)cc2)n1 ZINC000490661704 489779004 /nfs/dbraw/zinc/77/90/04/489779004.db2.gz QHZFMNACVCVORF-UHFFFAOYSA-N -1 3 361.358 0.540 10 0 FCAEHM O=C(c1ccc(-c2nc(C3CC3)no2)cc1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000490872433 489787439 /nfs/dbraw/zinc/78/74/39/489787439.db2.gz LHRKWTXZJVOTEJ-ZDUSSCGKSA-N -1 3 367.365 0.990 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)N1CC2(C1)CCCOC2 ZINC000376886325 489811965 /nfs/dbraw/zinc/81/19/65/489811965.db2.gz GLNKRPVAOUSPBJ-UHFFFAOYSA-N -1 3 359.473 0.848 10 0 FCAEHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]C2(CC(N)=O)CCC2)s1 ZINC000475401629 489823656 /nfs/dbraw/zinc/82/36/56/489823656.db2.gz OPWDCHCXHMAEHE-UHFFFAOYSA-N -1 3 362.429 0.620 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NC[C@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000492032636 489815861 /nfs/dbraw/zinc/81/58/61/489815861.db2.gz HHICIZAZVCPOJI-PWSUYJOCSA-N -1 3 373.331 0.571 10 0 FCAEHM O=C(CN1CCN2C(=O)[N-]C(=O)[C@@H]2C1)Nc1ccnn1CC1CCCCC1 ZINC000492686227 489834871 /nfs/dbraw/zinc/83/48/71/489834871.db2.gz YEDMIHZVLSFGEQ-AWEZNQCLSA-N -1 3 374.445 0.638 10 0 FCAEHM Cc1nc([C@@](C)([N-]S(=O)(=O)CCCN2CCOCC2)C2CC2)no1 ZINC000432260758 489835461 /nfs/dbraw/zinc/83/54/61/489835461.db2.gz WBWDVHAUEHLHAW-HNNXBMFYSA-N -1 3 358.464 0.645 10 0 FCAEHM C[C@@H](O)CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000475772364 489846919 /nfs/dbraw/zinc/84/69/19/489846919.db2.gz LAHQYKUWBODETH-GFCCVEGCSA-N -1 3 362.473 0.520 10 0 FCAEHM Cc1nn2cc(S(=O)(=O)[N-]CCCN3CCCC3=O)cnc2c1Cl ZINC000432629226 489851110 /nfs/dbraw/zinc/85/11/10/489851110.db2.gz BDQBPKFNIYVCRK-UHFFFAOYSA-N -1 3 371.850 0.982 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)NC[C@@]1(CCO)CCOC1 ZINC000475830709 489853141 /nfs/dbraw/zinc/85/31/41/489853141.db2.gz NNXDNNYZJJLISB-LJQANCHMSA-N -1 3 373.409 0.163 10 0 FCAEHM Cc1cnc(C(=O)NCCCN2CCN(c3ncccn3)CC2)c([O-])c1 ZINC000460288046 489862574 /nfs/dbraw/zinc/86/25/74/489862574.db2.gz JJQARQHVDZFYLH-UHFFFAOYSA-N -1 3 356.430 0.828 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]CC2(O)CCOCC2)c(Cl)c1 ZINC000476186064 489871737 /nfs/dbraw/zinc/87/17/37/489871737.db2.gz CUMBDLXPBGYUPV-UHFFFAOYSA-N -1 3 363.819 0.946 10 0 FCAEHM CNC(=O)[C@H]1CN(C(=O)Cc2ccc(Br)cc2[O-])CCO1 ZINC000433363052 489879077 /nfs/dbraw/zinc/87/90/77/489879077.db2.gz KQSLRYKKDKIVRZ-GFCCVEGCSA-N -1 3 357.204 0.671 10 0 FCAEHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(CN(C)C)cc1)c1ccn(C)n1 ZINC000433358184 489879134 /nfs/dbraw/zinc/87/91/34/489879134.db2.gz YWTDWCALTSMMII-HNNXBMFYSA-N -1 3 366.443 0.674 10 0 FCAEHM COCc1ccc(S(=O)(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000433452227 489885042 /nfs/dbraw/zinc/88/50/42/489885042.db2.gz FYZJMTVCXHFEJI-OAHLLOKOSA-N -1 3 353.400 0.196 10 0 FCAEHM COC(=O)[C@@H](CC1CCCCC1)[N-]S(=O)(=O)CCCS(C)(=O)=O ZINC000494372738 489886817 /nfs/dbraw/zinc/88/68/17/489886817.db2.gz VIDIASBBOWHNTA-CYBMUJFWSA-N -1 3 369.505 0.853 10 0 FCAEHM CCC1CCC([N-]S(=O)(=O)CCCS(C)(=O)=O)(C(=O)OC)CC1 ZINC000433751273 489900155 /nfs/dbraw/zinc/90/01/55/489900155.db2.gz LLOIPNRGPOCAFM-UHFFFAOYSA-N -1 3 369.505 0.853 10 0 FCAEHM O=C1COc2cc([N-]S(=O)(=O)c3ccc(-n4cnnn4)cc3)ccc2N1 ZINC000494647420 489901673 /nfs/dbraw/zinc/90/16/73/489901673.db2.gz JPLBHHMTQULPHQ-UHFFFAOYSA-N -1 3 372.366 0.794 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)COc3ccc(C(N)=O)cc3)cc2n(C)c1=O ZINC000461627115 489923650 /nfs/dbraw/zinc/92/36/50/489923650.db2.gz CIHUJIXDIFZUBX-UHFFFAOYSA-N -1 3 370.365 0.699 10 0 FCAEHM NC(=O)c1ccc(C[N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)o1 ZINC000476999926 489929995 /nfs/dbraw/zinc/92/99/95/489929995.db2.gz WUSWCOZZBBMZSQ-UHFFFAOYSA-N -1 3 370.408 0.187 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)Nc1cc(-c2ccncc2)[nH]n1 ZINC000377769393 489955125 /nfs/dbraw/zinc/95/51/25/489955125.db2.gz ANHPTXTYBCCSCW-UHFFFAOYSA-N -1 3 363.424 1.450 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@H]1CCCN(c2ccn(C)n2)C1=O)C1CC1 ZINC000571203125 491292407 /nfs/dbraw/zinc/29/24/07/491292407.db2.gz QENBEYRLPLIZDO-QWHCGFSZSA-N -1 3 356.448 0.260 10 0 FCAEHM C[C@@H]1C[C@H]([N-]S(=O)(=O)CCCS(C)(=O)=O)C(=O)N1c1ccccc1 ZINC000462719608 489989684 /nfs/dbraw/zinc/98/96/84/489989684.db2.gz GPSUOLTXIWWQCY-OCCSQVGLSA-N -1 3 374.484 0.535 10 0 FCAEHM CC(CO)(CO)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000477762045 489989872 /nfs/dbraw/zinc/98/98/72/489989872.db2.gz HJTFKYGTGIEIHY-UHFFFAOYSA-N -1 3 371.390 0.428 10 0 FCAEHM CC(=O)N1CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2c(C)noc2C)[C@H](C)C1 ZINC000477986961 489999290 /nfs/dbraw/zinc/99/92/90/489999290.db2.gz IOVCBBXRMGWICN-KOLCDFICSA-N -1 3 372.447 0.037 10 0 FCAEHM CCOC(=O)[C@H](CO)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436743739 490011843 /nfs/dbraw/zinc/01/18/43/490011843.db2.gz ZXYLASXDPVZXHI-QWHCGFSZSA-N -1 3 350.371 0.037 10 0 FCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436817312 490012983 /nfs/dbraw/zinc/01/29/83/490012983.db2.gz AIKIJDOXLAPRQM-NXEZZACHSA-N -1 3 365.386 0.537 10 0 FCAEHM COC(=O)C[C@@H](NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)C(=O)OC ZINC000436757311 490013083 /nfs/dbraw/zinc/01/30/83/490013083.db2.gz SGVUFDWZWUNVQF-LLVKDONJSA-N -1 3 351.355 0.940 10 0 FCAEHM COC(=O)[C@@H](NC(=O)CCNC(=O)c1ccc(C)cc1[O-])c1ccn(C)n1 ZINC000436840114 490015330 /nfs/dbraw/zinc/01/53/30/490015330.db2.gz WBBINBLUJVXJDD-INIZCTEOSA-N -1 3 374.397 0.585 10 0 FCAEHM COC(=O)[C@@H](O)C(C)(C)[N-]S(=O)(=O)C[C@@H](Cc1ccccc1)OC ZINC000420738452 490016625 /nfs/dbraw/zinc/01/66/25/490016625.db2.gz ZGFZWRUSEDYHFF-ZIAGYGMSSA-N -1 3 359.444 0.476 10 0 FCAEHM Cn1cc([C@]2(C)CN(C(=O)c3cnc4c(cnn4C)c3[O-])CCO2)cn1 ZINC000378371548 490056779 /nfs/dbraw/zinc/05/67/79/490056779.db2.gz RURWWBOMOCETEO-KRWDZBQOSA-N -1 3 356.386 0.795 10 0 FCAEHM COC[C@](C)(NC(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1)C(F)(F)F ZINC000464511288 490059052 /nfs/dbraw/zinc/05/90/52/490059052.db2.gz YSTFWQAECUMHDW-NSHDSACASA-N -1 3 372.369 0.090 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)c2nc(C)c(C)[nH]c2=O)s1 ZINC000479076693 490065061 /nfs/dbraw/zinc/06/50/61/490065061.db2.gz GRISLKOPEZWVSR-UHFFFAOYSA-N -1 3 356.429 0.699 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-][C@@H](CO)c2c(F)cccc2F)C[C@@H](C)O1 ZINC000443274617 490068725 /nfs/dbraw/zinc/06/87/25/490068725.db2.gz OBUIXLMZLSNBSF-BREBYQMCSA-N -1 3 350.387 0.942 10 0 FCAEHM Cc1nc(C[N-]S(=O)(=O)[C@@H]2CCCN(C(=O)C3CCCC3)C2)no1 ZINC000378566658 490096023 /nfs/dbraw/zinc/09/60/23/490096023.db2.gz LUQAKJDANSPYTH-CYBMUJFWSA-N -1 3 356.448 0.979 10 0 FCAEHM CCOC(=O)C1CCN(S(=O)(=O)[N-]Cc2noc(C3CC3)n2)CC1 ZINC000479515639 490098852 /nfs/dbraw/zinc/09/88/52/490098852.db2.gz JTEOWRXDTOYZJI-UHFFFAOYSA-N -1 3 358.420 0.557 10 0 FCAEHM COc1ncc(Cn2cc(I)c(=O)[n-]c2=O)c(C)n1 ZINC000571299206 491299311 /nfs/dbraw/zinc/29/93/11/491299311.db2.gz MPZJCYONLUTMOQ-UHFFFAOYSA-N -1 3 374.138 0.709 10 0 FCAEHM CNC(=O)[C@H]1CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000421946144 490117130 /nfs/dbraw/zinc/11/71/30/490117130.db2.gz HXJWBOYGIITQOJ-QWRGUYRKSA-N -1 3 357.407 0.087 10 0 FCAEHM CN1CC[C@H](NC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)[C@@H]1c1ccccc1 ZINC000545434398 490135210 /nfs/dbraw/zinc/13/52/10/490135210.db2.gz MESFMBANARVCID-ZNMIVQPWSA-N -1 3 357.414 0.377 10 0 FCAEHM CC(C)N1C(=O)C[C@@H]([N-]S(=O)(=O)CC2Cc3ccccc3C2)C1=O ZINC000520593523 490168099 /nfs/dbraw/zinc/16/80/99/490168099.db2.gz YPTIALAVSVLEDD-OAHLLOKOSA-N -1 3 350.440 0.857 10 0 FCAEHM O=C(N[C@H]1CCOC2(CCSCC2)C1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000546138573 490193923 /nfs/dbraw/zinc/19/39/23/490193923.db2.gz UGBJBDZKGMPLOF-RYUDHWBXSA-N -1 3 368.459 0.377 10 0 FCAEHM COc1ccc(Cl)cc1CNC(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000546144161 490196237 /nfs/dbraw/zinc/19/62/37/490196237.db2.gz VYWIBJKLFFGNSB-NSHDSACASA-N -1 3 352.778 0.794 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2c(C(=O)N3CC[C@H](O)C3(C)C)cc(C3CC3)nc21 ZINC000520939553 490207979 /nfs/dbraw/zinc/20/79/79/490207979.db2.gz JHIGHMMSQWUIBO-LBPRGKRZSA-N -1 3 358.398 0.897 10 0 FCAEHM CCN1CCN(c2ccc(-c3noc(CN4CC(=O)[N-]C4=O)n3)cn2)CC1 ZINC000546401702 490213239 /nfs/dbraw/zinc/21/32/39/490213239.db2.gz PDQCYZLEYNUTCD-UHFFFAOYSA-N -1 3 371.401 0.325 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NCc1cccc(NC(=O)N2CCCC2)c1 ZINC000521071281 490221785 /nfs/dbraw/zinc/22/17/85/490221785.db2.gz DXKVSHGGCUJECR-UHFFFAOYSA-N -1 3 359.386 0.482 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-]Cc2ccn(C)n2)c(C(=O)OC)s1 ZINC000497964890 490240438 /nfs/dbraw/zinc/24/04/38/490240438.db2.gz KKHWZWSXWCCDDI-UHFFFAOYSA-N -1 3 373.412 0.533 10 0 FCAEHM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-]Cc2ccn(C)n2)c1 ZINC000497994866 490245101 /nfs/dbraw/zinc/24/51/01/490245101.db2.gz VNJUQKPMOUTGNM-UHFFFAOYSA-N -1 3 367.383 0.472 10 0 FCAEHM O=C(NCCCCN1CCOCC1)NCc1nnc(C(F)(F)F)[n-]1 ZINC000482736324 490245967 /nfs/dbraw/zinc/24/59/67/490245967.db2.gz UXINNESUBUAKAA-UHFFFAOYSA-N -1 3 350.345 0.735 10 0 FCAEHM O=C(NCCCCN1CCOCC1)NCc1n[n-]c(C(F)(F)F)n1 ZINC000482736324 490245973 /nfs/dbraw/zinc/24/59/73/490245973.db2.gz UXINNESUBUAKAA-UHFFFAOYSA-N -1 3 350.345 0.735 10 0 FCAEHM CC(C)[C@H](NC(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1)c1nnc2ccccn21 ZINC000546850908 490251211 /nfs/dbraw/zinc/25/12/11/490251211.db2.gz HAKAITLDXBAXEW-AAEUAGOBSA-N -1 3 371.401 0.372 10 0 FCAEHM CC(C)[C@@H](NC(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1)c1nnc2ccccn21 ZINC000546850910 490251704 /nfs/dbraw/zinc/25/17/04/490251704.db2.gz HAKAITLDXBAXEW-DGCLKSJQSA-N -1 3 371.401 0.372 10 0 FCAEHM CN1CCN(Cc2ccc(C(=O)N3CCC[C@H](c4nnn[n-]4)C3)cc2)CC1 ZINC000533572991 490259130 /nfs/dbraw/zinc/25/91/30/490259130.db2.gz PMQPZVWMQPDUFB-KRWDZBQOSA-N -1 3 369.473 0.967 10 0 FCAEHM CN1CCN(Cc2ccc(C(=O)N3CCC[C@H](c4nn[n-]n4)C3)cc2)CC1 ZINC000533572991 490259138 /nfs/dbraw/zinc/25/91/38/490259138.db2.gz PMQPZVWMQPDUFB-KRWDZBQOSA-N -1 3 369.473 0.967 10 0 FCAEHM Cc1ccccc1[C@H](CC(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O)NC(N)=O ZINC000447747249 490264580 /nfs/dbraw/zinc/26/45/80/490264580.db2.gz SWOVLEAYZCFWOR-SCLBCKFNSA-N -1 3 373.413 0.295 10 0 FCAEHM CN1CCC(=O)Nc2cc(C(=O)N3CCC[C@]4(C3)NC(=O)[N-]C4=O)ccc21 ZINC000447748481 490264903 /nfs/dbraw/zinc/26/49/03/490264903.db2.gz XRUWNKJCXCANHH-GOSISDBHSA-N -1 3 371.397 0.279 10 0 FCAEHM CCOC(=O)[C@H]([N-]S(=O)(=O)CCCS(C)(=O)=O)c1ccccc1 ZINC000447752990 490266404 /nfs/dbraw/zinc/26/64/04/490266404.db2.gz XYQDELRNGZXJCN-CYBMUJFWSA-N -1 3 363.457 0.645 10 0 FCAEHM NC(=O)[C@H]1CCCCC[C@H]1NC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000467204232 490267016 /nfs/dbraw/zinc/26/70/16/490267016.db2.gz XUKRLFARYQAPAC-NWDGAFQWSA-N -1 3 373.500 0.967 10 0 FCAEHM Cc1cccc([C@H](CC(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)NC(N)=O)c1 ZINC000447760721 490270463 /nfs/dbraw/zinc/27/04/63/490270463.db2.gz PDVTWUPAMQFTMS-SCLBCKFNSA-N -1 3 373.413 0.295 10 0 FCAEHM C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]Cc1ncn(Cc2cccc(F)c2)n1 ZINC000447765227 490272462 /nfs/dbraw/zinc/27/24/62/490272462.db2.gz KWTHLJPVZMFUDT-NSHDSACASA-N -1 3 369.422 0.362 10 0 FCAEHM C[C@H]1CN(S(=O)(=O)[N-]CC(=O)N2CCCc3ccccc32)[C@@H](C)CO1 ZINC000408237515 490282430 /nfs/dbraw/zinc/28/24/30/490282430.db2.gz OKQABQVENJWUGM-KBPBESRZSA-N -1 3 367.471 0.909 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCc1cccc(C(=O)NCc2ccco2)c1 ZINC000483186330 490291134 /nfs/dbraw/zinc/29/11/34/490291134.db2.gz ZVTHDPMBOJIDOG-AWEZNQCLSA-N -1 3 370.365 0.424 10 0 FCAEHM CCOC(=O)c1ccn(-c2ccccc2NC(=O)C[C@@H]2NC(=O)[N-]C2=O)n1 ZINC000533872447 490294699 /nfs/dbraw/zinc/29/46/99/490294699.db2.gz UWXKNRQHEZRICE-LBPRGKRZSA-N -1 3 371.353 0.586 10 0 FCAEHM O=S(=O)(N1CCOCC1)N1CCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000408292279 490299184 /nfs/dbraw/zinc/29/91/84/490299184.db2.gz CEEWPKBJZGAFQO-UHFFFAOYSA-N -1 3 359.423 0.226 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1cccc(NC(=O)c2ccncc2)c1 ZINC000521920053 490311640 /nfs/dbraw/zinc/31/16/40/490311640.db2.gz BLMSFCYJVZSRKM-UHFFFAOYSA-N -1 3 353.338 0.824 10 0 FCAEHM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)[N-][C@H]2CCCN(c3ccnn3C)C2=O)C1 ZINC000408383572 490321077 /nfs/dbraw/zinc/32/10/77/490321077.db2.gz AIJQZJNSALPUCD-MCIONIFRSA-N -1 3 369.491 0.728 10 0 FCAEHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)[C@@H]1CN2CCN1CCC2 ZINC000408409728 490329598 /nfs/dbraw/zinc/32/95/98/490329598.db2.gz CCBVJSCUTQPTQF-KRWDZBQOSA-N -1 3 372.469 0.503 10 0 FCAEHM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N(C)[C@@H]2CN3CCC2CC3)c1 ZINC000467725898 490334604 /nfs/dbraw/zinc/33/46/04/490334604.db2.gz OOTRIDBFSUFIEV-OAHLLOKOSA-N -1 3 367.471 0.809 10 0 FCAEHM Cn1cc(-c2cc(F)ccc2NC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)cn1 ZINC000522057625 490335872 /nfs/dbraw/zinc/33/58/72/490335872.db2.gz VWGTYMHBMKIIBL-AWEZNQCLSA-N -1 3 372.360 0.994 10 0 FCAEHM CCOC(=O)[C@H](CCOC)NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000467804867 490343011 /nfs/dbraw/zinc/34/30/11/490343011.db2.gz IVMLUAINGDESIO-NSHDSACASA-N -1 3 362.404 0.194 10 0 FCAEHM CCOC(=O)[C@H](CCOC)NC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000467826694 490344646 /nfs/dbraw/zinc/34/46/46/490344646.db2.gz NORMBFOMQPPVPX-JTQLQIEISA-N -1 3 364.445 0.111 10 0 FCAEHM CN(Cc1cc[nH]n1)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1CC1 ZINC000547714626 490346425 /nfs/dbraw/zinc/34/64/25/490346425.db2.gz WAMUYHXHBGQODH-UHFFFAOYSA-N -1 3 370.456 0.671 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]Cc2ncn(Cc3cccc(F)c3)n2)cn1C ZINC000547718256 490347940 /nfs/dbraw/zinc/34/79/40/490347940.db2.gz YTPBIJRBIULLRH-UHFFFAOYSA-N -1 3 364.406 0.986 10 0 FCAEHM O=C(CCc1cc2ccccc2[nH]c1=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000534336122 490352683 /nfs/dbraw/zinc/35/26/83/490352683.db2.gz CFZYVOHUMOKSLZ-CQSZACIVSA-N -1 3 354.366 0.636 10 0 FCAEHM COc1cc(NC(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)nn1C ZINC000547815136 490361598 /nfs/dbraw/zinc/36/15/98/490361598.db2.gz VJJSVXTYUWAMKQ-UHFFFAOYSA-N -1 3 355.354 0.639 10 0 FCAEHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C[C@@]1(CCO)CCOC1 ZINC000534745470 490404641 /nfs/dbraw/zinc/40/46/41/490404641.db2.gz RBRIEFBQXUAGNM-OAHLLOKOSA-N -1 3 361.391 0.680 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]([C@H]3CCOC3)C2)cn1 ZINC000548107117 490422814 /nfs/dbraw/zinc/42/28/14/490422814.db2.gz NEUHQWKKYKLOCC-KGLIPLIRSA-N -1 3 353.444 0.878 10 0 FCAEHM CCCc1nc(=NC(=O)C(=O)N2CC[C@H]3[C@H](CCCN3C)C2)s[n-]1 ZINC000411313866 490428704 /nfs/dbraw/zinc/42/87/04/490428704.db2.gz YTORVWOTUBZTKS-NEPJUHHUSA-N -1 3 351.476 0.794 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N(CC(F)F)CC2CCC2)c1 ZINC000534954840 490429041 /nfs/dbraw/zinc/42/90/41/490429041.db2.gz QIBHCJZULCSGIY-UHFFFAOYSA-N -1 3 350.391 0.592 10 0 FCAEHM COCCn1cc(C[N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)cn1 ZINC000499651520 490442916 /nfs/dbraw/zinc/44/29/16/490442916.db2.gz CZUFUWGAKVXBNI-UHFFFAOYSA-N -1 3 373.456 0.412 10 0 FCAEHM CC(=O)N1CCN(C(=O)C(=O)[N-]c2nccn2-c2ccccc2)[C@@H](C)C1 ZINC000411407711 490451063 /nfs/dbraw/zinc/45/10/63/490451063.db2.gz KAWIZEYKBXTBBV-ZDUSSCGKSA-N -1 3 355.398 0.890 10 0 FCAEHM NC(=O)C[C@@H]1CCCCN1C(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000509866970 490471949 /nfs/dbraw/zinc/47/19/49/490471949.db2.gz XGKXXIGOIZRZJB-LBPRGKRZSA-N -1 3 358.398 0.749 10 0 FCAEHM C[C@@H](CCNC(=O)CNC(=O)c1c[n-]c2ccccc2c1=O)[S@@](C)=O ZINC000484891933 490475090 /nfs/dbraw/zinc/47/50/90/490475090.db2.gz ZEVZRRBOBATLMK-JPQMIFPKSA-N -1 3 363.439 0.531 10 0 FCAEHM Cn1cc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2)c(=O)[n-]c1=O ZINC000524059725 490514209 /nfs/dbraw/zinc/51/42/09/490514209.db2.gz ALJRPYAZNLQXSN-GFCCVEGCSA-N -1 3 360.395 0.640 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CC(=O)N(CC)C1 ZINC000485214476 490514757 /nfs/dbraw/zinc/51/47/57/490514757.db2.gz VJZZXTNXHNAZBD-UHFFFAOYSA-N -1 3 353.400 0.820 10 0 FCAEHM CCOC(=O)C[C@@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1cccc(OC)c1 ZINC000535715281 490516158 /nfs/dbraw/zinc/51/61/58/490516158.db2.gz MEWHMABGGZZPBD-OLZOCXBDSA-N -1 3 363.370 0.404 10 0 FCAEHM Cn1ccc(CNC(=O)c2cc(C3CC3)nc3c2c(=O)[n-]c(=O)n3C)n1 ZINC000535742104 490521345 /nfs/dbraw/zinc/52/13/45/490521345.db2.gz ADWSQNNDVCDKPA-UHFFFAOYSA-N -1 3 354.370 0.575 10 0 FCAEHM CCOC(=O)CC[C@H](C)NC(=O)N1CCC[C@@H]1C[C@]1(C)NC(=O)[N-]C1=O ZINC000500525262 490531563 /nfs/dbraw/zinc/53/15/63/490531563.db2.gz NJNLUOZXRSZWPH-JKDFXYPNSA-N -1 3 368.434 0.880 10 0 FCAEHM COc1cc(F)ccc1N1CCN(C(=O)c2cn(C)c(=O)[n-]c2=O)CC1 ZINC000524514589 490542158 /nfs/dbraw/zinc/54/21/58/490542158.db2.gz IPSDGBMPSBFGCN-UHFFFAOYSA-N -1 3 362.361 0.596 10 0 FCAEHM CC(C)(C)N1CC[C@@H]([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)C1=O ZINC000564905028 491335032 /nfs/dbraw/zinc/33/50/32/491335032.db2.gz LGUQKLUBKMRTRZ-LLVKDONJSA-N -1 3 374.484 0.768 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)Nc2ccc(N(C)C)nc2)cn1C ZINC000510914509 490548414 /nfs/dbraw/zinc/54/84/14/490548414.db2.gz PIPPWUULIJZTSS-UHFFFAOYSA-N -1 3 366.447 0.497 10 0 FCAEHM CC(C)[C@@H](NC(=O)CN1CC(=O)[N-]C1=O)c1nc(-c2ccncc2)no1 ZINC000524696943 490552069 /nfs/dbraw/zinc/55/20/69/490552069.db2.gz QDZDDPHIJICBBW-CYBMUJFWSA-N -1 3 358.358 0.497 10 0 FCAEHM CS(=O)(=O)c1ccsc1[N-]C(=O)c1ccnc(S(C)(=O)=O)n1 ZINC000485729524 490556305 /nfs/dbraw/zinc/55/63/05/490556305.db2.gz HMVNGZVLTICAAP-UHFFFAOYSA-N -1 3 361.426 0.597 10 0 FCAEHM CCNC(=O)[C@@H](C)NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000511093792 490561817 /nfs/dbraw/zinc/56/18/17/490561817.db2.gz WRVCOIUDDFTYFF-GFCCVEGCSA-N -1 3 357.414 0.714 10 0 FCAEHM CN(C)c1nc(C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)cc(=O)[n-]1 ZINC000549257217 490571978 /nfs/dbraw/zinc/57/19/78/490571978.db2.gz YDFYQGRJOQJWLB-UHFFFAOYSA-N -1 3 355.358 0.385 10 0 FCAEHM CN(C)c1nc(C(=O)N(C)Cc2ccc(S(C)(=O)=O)cc2)cc(=O)[n-]1 ZINC000549275153 490573061 /nfs/dbraw/zinc/57/30/61/490573061.db2.gz VPRDTFYGNHCBAM-UHFFFAOYSA-N -1 3 364.427 0.924 10 0 FCAEHM CN(C)CCOc1cc(CNC(=O)c2cc(=O)[n-]c(N(C)C)n2)ccn1 ZINC000549260288 490573167 /nfs/dbraw/zinc/57/31/67/490573167.db2.gz PGKNXYPELRQUMK-UHFFFAOYSA-N -1 3 360.418 0.514 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCc1noc(C2CC2)n1 ZINC000536547004 490590317 /nfs/dbraw/zinc/59/03/17/490590317.db2.gz IIXCDVGGYMFLNX-UHFFFAOYSA-N -1 3 370.163 0.288 10 0 FCAEHM CN(C)c1nc(C(=O)NCC(=O)N2CCc3ccccc3C2)cc(=O)[n-]1 ZINC000549707690 490595003 /nfs/dbraw/zinc/59/50/03/490595003.db2.gz RXKZVFVYNXOYHU-UHFFFAOYSA-N -1 3 355.398 0.563 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCc1cccc(CO)n1 ZINC000549712793 490595653 /nfs/dbraw/zinc/59/56/53/490595653.db2.gz DWGUDLLPBRGALW-SNVBAGLBSA-N -1 3 355.441 0.619 10 0 FCAEHM CCOC(=O)c1[n-]c(C)nc1NC(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000525351919 490599388 /nfs/dbraw/zinc/59/93/88/490599388.db2.gz QCCNVCSIWBNCAJ-UHFFFAOYSA-N -1 3 363.374 0.698 10 0 FCAEHM CCOC(=O)c1nc(C)[n-]c1NC(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000525351919 490599392 /nfs/dbraw/zinc/59/93/92/490599392.db2.gz QCCNVCSIWBNCAJ-UHFFFAOYSA-N -1 3 363.374 0.698 10 0 FCAEHM Cc1nc(C)c(S(=O)(=O)[N-]C[C@H]2CCCCN2S(C)(=O)=O)s1 ZINC000556824836 491339738 /nfs/dbraw/zinc/33/97/38/491339738.db2.gz NOLBXYOGZWRLNC-LLVKDONJSA-N -1 3 367.518 0.852 10 0 FCAEHM CC(C)CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000536910834 490622688 /nfs/dbraw/zinc/62/26/88/490622688.db2.gz QYNQBHRNKNLURJ-WOPDTQHZSA-N -1 3 370.475 0.427 10 0 FCAEHM COC[C@H]1CN(C(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)CCO1 ZINC000525768837 490630636 /nfs/dbraw/zinc/63/06/36/490630636.db2.gz XEENCGDDLLOLJF-OAHLLOKOSA-N -1 3 372.425 0.947 10 0 FCAEHM CC(C)(C)[C@@H](O)C[C@@H](CO)NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000511974370 490646512 /nfs/dbraw/zinc/64/65/12/490646512.db2.gz RMCWFDXDGBTIIL-KBPBESRZSA-N -1 3 358.460 0.946 10 0 FCAEHM C[C@H]1CCCc2nc(S(=O)(=O)[N-]CCNC(=O)c3cccnc3)cn21 ZINC000572012750 491342750 /nfs/dbraw/zinc/34/27/50/491342750.db2.gz XZAKOSZHZXOYRH-LBPRGKRZSA-N -1 3 363.443 0.884 10 0 FCAEHM COC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ncccc2[O-])c2ccccc2O1 ZINC000525947294 490658068 /nfs/dbraw/zinc/65/80/68/490658068.db2.gz QYUHAGLPGNEVIB-HNNXBMFYSA-N -1 3 371.349 0.371 10 0 FCAEHM CC1(C)Cc2ccc(C(=O)NCC3(O)CCS(=O)(=O)CC3)c([O-])c2O1 ZINC000556956449 491344817 /nfs/dbraw/zinc/34/48/17/491344817.db2.gz CCRAQCHNPHDESA-UHFFFAOYSA-N -1 3 369.439 0.775 10 0 FCAEHM CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000502105909 490677244 /nfs/dbraw/zinc/67/72/44/490677244.db2.gz PBSMCIKHGIGZBH-HTQZYQBOSA-N -1 3 353.345 0.781 10 0 FCAEHM CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000502105909 490677246 /nfs/dbraw/zinc/67/72/46/490677246.db2.gz PBSMCIKHGIGZBH-HTQZYQBOSA-N -1 3 353.345 0.781 10 0 FCAEHM CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000502105909 490677249 /nfs/dbraw/zinc/67/72/49/490677249.db2.gz PBSMCIKHGIGZBH-HTQZYQBOSA-N -1 3 353.345 0.781 10 0 FCAEHM COc1nc(NCC2(N3CCOCC3)CCN(C)CC2)ccc1C(=O)[O-] ZINC000572043819 491345206 /nfs/dbraw/zinc/34/52/06/491345206.db2.gz RLDDQHKODBUTRQ-UHFFFAOYSA-N -1 3 364.446 0.997 10 0 FCAEHM C[C@@]1(c2ccc(CNC(=O)c3cn4c(n3)CCC4)cc2)NC(=O)[N-]C1=O ZINC000565015048 491345757 /nfs/dbraw/zinc/34/57/57/491345757.db2.gz OUODECHUPULTJQ-SFHVURJKSA-N -1 3 353.382 0.814 10 0 FCAEHM C[C@@H]1OCC[C@@H]1S(=O)(=O)NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000526943550 490687121 /nfs/dbraw/zinc/68/71/21/490687121.db2.gz RSTYVCFFHNJPTE-NKFCBESUSA-N -1 3 367.427 0.338 10 0 FCAEHM C[C@@H]1OCC[C@@H]1S(=O)(=O)[N-]CC(=O)Nc1ccc(-n2cccn2)cc1 ZINC000527192604 490707022 /nfs/dbraw/zinc/70/70/22/490707022.db2.gz GGVYQFUHLLGINX-WFASDCNBSA-N -1 3 364.427 0.908 10 0 FCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000487345641 490707070 /nfs/dbraw/zinc/70/70/70/490707070.db2.gz YXIFMTBZUMCHNZ-DTWKUNHWSA-N -1 3 364.370 0.699 10 0 FCAEHM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000487366118 490708922 /nfs/dbraw/zinc/70/89/22/490708922.db2.gz QIJLBGGHWFRLFZ-BDAKNGLRSA-N -1 3 364.370 0.699 10 0 FCAEHM Cn1ccnc1CN1CCC[C@@H](NC(=O)c2cccc3nn[n-]c32)C1=O ZINC000527364369 490719814 /nfs/dbraw/zinc/71/98/14/490719814.db2.gz FUHLIIPROGXEBJ-CYBMUJFWSA-N -1 3 353.386 0.612 10 0 FCAEHM Cn1ccnc1CN1CCC[C@@H](NC(=O)c2cccc3[n-]nnc32)C1=O ZINC000527364369 490719815 /nfs/dbraw/zinc/71/98/15/490719815.db2.gz FUHLIIPROGXEBJ-CYBMUJFWSA-N -1 3 353.386 0.612 10 0 FCAEHM Cn1ccnc1CN1CCC[C@@H](NC(=O)c2cccc3n[n-]nc32)C1=O ZINC000527364369 490719821 /nfs/dbraw/zinc/71/98/21/490719821.db2.gz FUHLIIPROGXEBJ-CYBMUJFWSA-N -1 3 353.386 0.612 10 0 FCAEHM O=C(CNC(=O)c1cccnc1)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000538828627 490751795 /nfs/dbraw/zinc/75/17/95/490751795.db2.gz RVKSDTISPXHOCC-AWEZNQCLSA-N -1 3 367.365 0.201 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CSC[C@@H]1C(=O)Nc1ccc(F)cc1 ZINC000539120620 490763682 /nfs/dbraw/zinc/76/36/82/490763682.db2.gz DPIIRLVJNFZSON-WDEREUQCSA-N -1 3 366.374 0.264 10 0 FCAEHM Cc1ccc(CC[C@@H](C)NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)o1 ZINC000503687346 490771636 /nfs/dbraw/zinc/77/16/36/490771636.db2.gz KOLZFUDJASTRDX-LLVKDONJSA-N -1 3 354.432 0.737 10 0 FCAEHM CCc1nnc(CNC(=O)CC[N-]S(=O)(=O)c2ccc(F)c(F)c2)o1 ZINC000503710481 490772930 /nfs/dbraw/zinc/77/29/30/490772930.db2.gz AUHKJVROUZLZKY-UHFFFAOYSA-N -1 3 374.369 0.895 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCNC(=O)C(C)(C)C ZINC000503776261 490776042 /nfs/dbraw/zinc/77/60/42/490776042.db2.gz RRBAJOGXFLDRKS-NSHDSACASA-N -1 3 373.450 0.771 10 0 FCAEHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-]CCn1ncnn1 ZINC000528344878 490789576 /nfs/dbraw/zinc/78/95/76/490789576.db2.gz MQXJIUYVOJXKFE-UHFFFAOYSA-N -1 3 367.309 0.559 10 0 FCAEHM O=C(c1ccc(O[C@H]2CC2(F)F)cc1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000528782958 490827841 /nfs/dbraw/zinc/82/78/41/490827841.db2.gz LERIDNDYFQCTNS-NEPJUHHUSA-N -1 3 351.309 0.849 10 0 FCAEHM O=C([C@@H]1CCCn2cc(C(F)(F)F)nc21)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000528780386 490827891 /nfs/dbraw/zinc/82/78/91/490827891.db2.gz CRNCNGGMNUIJEA-BDAKNGLRSA-N -1 3 371.319 0.542 10 0 FCAEHM COC(=O)[C@](C)([N-]S(=O)(=O)C1CN(C(=O)c2ccccc2)C1)C1CC1 ZINC000540934783 490841402 /nfs/dbraw/zinc/84/14/02/490841402.db2.gz XFKNNYMYOJZSNX-QGZVFWFLSA-N -1 3 366.439 0.772 10 0 FCAEHM O=C(N[C@H](CO)CN1CCOCC1)c1cc([O-])cc(Br)c1 ZINC000529260452 490847002 /nfs/dbraw/zinc/84/70/02/490847002.db2.gz MVMPBLQEQGUBLP-LBPRGKRZSA-N -1 3 359.220 0.578 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1ccc(CN2CCOCC2)c(Cl)c1 ZINC000541442241 490862777 /nfs/dbraw/zinc/86/27/77/490862777.db2.gz ODNAOWMSYRMCSL-ZDUSSCGKSA-N -1 3 366.805 0.709 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCC[C@H]1CCCOC1 ZINC000529597820 490863188 /nfs/dbraw/zinc/86/31/88/490863188.db2.gz PJSUZANFYYFDQC-SECBINFHSA-N -1 3 360.208 0.644 10 0 FCAEHM CNC(=O)NC[C@@H]1CN(C(=O)c2cc(NC(C)=O)ccc2[O-])CCO1 ZINC000529745733 490871417 /nfs/dbraw/zinc/87/14/17/490871417.db2.gz ZZKPJHQCVMAZBI-GFCCVEGCSA-N -1 3 350.375 0.121 10 0 FCAEHM COc1ccc([O-])c(C(=O)NC[C@]2(CO)COCC3(CCC3)N2C)c1 ZINC000529754772 490874195 /nfs/dbraw/zinc/87/41/95/490874195.db2.gz VXCZHPPEMKVJQC-SFHVURJKSA-N -1 3 350.415 0.746 10 0 FCAEHM O=C(Nc1cccc(N2CCOCC2)c1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000541845176 490875077 /nfs/dbraw/zinc/87/50/77/490875077.db2.gz JSGFAZILUYKEBM-AWEZNQCLSA-N -1 3 359.386 0.291 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2c(C(=O)NC[C@H](O)[C@@H]3CCCO3)cc(C3CC3)nc21 ZINC000529759633 490875196 /nfs/dbraw/zinc/87/51/96/490875196.db2.gz AFFBDYHMFYORMU-STQMWFEESA-N -1 3 374.397 0.181 10 0 FCAEHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c1 ZINC000542044378 490883033 /nfs/dbraw/zinc/88/30/33/490883033.db2.gz BRDSUEMEUSPKFT-GAJTVXKRSA-N -1 3 370.402 0.900 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2ccc(=O)[nH]n2)c(C)o1 ZINC000530076689 490887393 /nfs/dbraw/zinc/88/73/93/490887393.db2.gz SAFCSHVYCKQHNR-LBPRGKRZSA-N -1 3 366.399 0.969 10 0 FCAEHM O=C(CNC(=O)c1ccc([O-])cc1)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000530276860 490897228 /nfs/dbraw/zinc/89/72/28/490897228.db2.gz OOEOLQQYLPQXSS-KGLIPLIRSA-N -1 3 352.412 0.300 10 0 FCAEHM CN1C(=O)N(CC(=O)N2CCc3nc[n-]c(=O)c3C2)C(=O)C12CCCCC2 ZINC000530295889 490898001 /nfs/dbraw/zinc/89/80/01/490898001.db2.gz QURAIVBRDYZQEA-UHFFFAOYSA-N -1 3 373.413 0.664 10 0 FCAEHM C[C@H](CNC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)N1CCCCC1=O ZINC000530296107 490898155 /nfs/dbraw/zinc/89/81/55/490898155.db2.gz RPECACALEFONIB-BLVKFPJESA-N -1 3 372.425 0.872 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C[C@H](O)COCC(C)C ZINC000517263509 490902436 /nfs/dbraw/zinc/90/24/36/490902436.db2.gz NYUZAZKLMOUHAY-LBPRGKRZSA-N -1 3 363.432 0.995 10 0 FCAEHM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)C[C@H]1C(=O)[O-] ZINC000517371337 490906091 /nfs/dbraw/zinc/90/60/91/490906091.db2.gz RRAKXANDNAIXEA-QLFBSQMISA-N -1 3 351.447 0.642 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c(F)c1 ZINC000530482557 490907731 /nfs/dbraw/zinc/90/77/31/490907731.db2.gz RGGIBAIYEVLPTM-NDMJEZRESA-N -1 3 370.402 0.900 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCN(CC(F)(F)F)c2ccccc21 ZINC000530594826 490914888 /nfs/dbraw/zinc/91/48/88/490914888.db2.gz DJZNOVAVKYVCMW-UHFFFAOYSA-N -1 3 356.304 0.954 10 0 FCAEHM CCN(Cc1cn(C)nn1)C(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000542904377 490915350 /nfs/dbraw/zinc/91/53/50/490915350.db2.gz PINQPPAZXUJFBZ-SNVBAGLBSA-N -1 3 357.461 0.592 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-][C@@H]2CCN(c3cc(C)nn3C)C2=O)c1 ZINC000530616346 490916115 /nfs/dbraw/zinc/91/61/15/490916115.db2.gz ZTCICIOQKCBMLT-LLVKDONJSA-N -1 3 352.420 0.029 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)N1CCN(C2CC2)C(=O)C1 ZINC000530647727 490917408 /nfs/dbraw/zinc/91/74/08/490917408.db2.gz ITEVGRVFNGZNKC-UHFFFAOYSA-N -1 3 369.418 0.327 10 0 FCAEHM CCNC(=O)C1CN(C(=O)c2cc(C3CC3)nc3c2c(=O)[n-]c(=O)n3C)C1 ZINC000530776374 490923986 /nfs/dbraw/zinc/92/39/86/490923986.db2.gz HFIGSOIJVDHKCC-UHFFFAOYSA-N -1 3 371.397 0.120 10 0 FCAEHM COC(=O)[C@H](c1c(F)cccc1Cl)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000543194421 490924959 /nfs/dbraw/zinc/92/49/59/490924959.db2.gz PKKWCNGRDJDYDQ-PWSUYJOCSA-N -1 3 355.753 0.929 10 0 FCAEHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC[C@@H](O)C(F)(F)F)cc1 ZINC000543632548 490939672 /nfs/dbraw/zinc/93/96/72/490939672.db2.gz UIMTYXGKSGCVMD-SNVBAGLBSA-N -1 3 361.363 0.682 10 0 FCAEHM Cc1cc(NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)ccc1OCCO ZINC000543953951 490952966 /nfs/dbraw/zinc/95/29/66/490952966.db2.gz ZXDPBUYBVZOWLU-UHFFFAOYSA-N -1 3 368.415 0.017 10 0 FCAEHM COCCCS(=O)(=O)[N-]CC(=O)Nc1ncn(C2CCCCC2)n1 ZINC000544248862 490962740 /nfs/dbraw/zinc/96/27/40/490962740.db2.gz DXMIEPVKNSCOBM-UHFFFAOYSA-N -1 3 359.452 0.678 10 0 FCAEHM COC(=O)[C@H](CNC(=O)c1cn(C)c(=O)[n-]c1=O)Cc1cccc(F)c1 ZINC000519278694 490967668 /nfs/dbraw/zinc/96/76/68/490967668.db2.gz UGEBABSUUMNNDB-NSHDSACASA-N -1 3 363.345 0.387 10 0 FCAEHM COC(=O)c1coc(C(=O)NCC[N-]S(=O)(=O)c2cccs2)c1 ZINC000544700362 490977008 /nfs/dbraw/zinc/97/70/08/490977008.db2.gz OYTXRTKQSCISJF-UHFFFAOYSA-N -1 3 358.397 0.836 10 0 FCAEHM COC(=O)CC[C@@H](C(=O)OC)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000595376005 491925397 /nfs/dbraw/zinc/92/53/97/491925397.db2.gz GZGAVDMYUJBCFY-AWEZNQCLSA-N -1 3 364.398 0.645 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000562458477 491167234 /nfs/dbraw/zinc/16/72/34/491167234.db2.gz UMBVOFMXWIBRAD-GDLCADMTSA-N -1 3 360.382 0.784 10 0 FCAEHM CS(=O)(=O)N1CC[C@H]([N-]S(=O)(=O)c2cccnc2C(F)(F)F)C1 ZINC000572771311 491392711 /nfs/dbraw/zinc/39/27/11/491392711.db2.gz DEIFFQBVZRZCSU-QMMMGPOBSA-N -1 3 373.378 0.413 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@H]1CCCN(CC(F)(F)F)C1=O)C1CC1 ZINC000565773038 491398435 /nfs/dbraw/zinc/39/84/35/491398435.db2.gz KNKVAXLOMRWVSC-WDEREUQCSA-N -1 3 358.382 0.884 10 0 FCAEHM COC(=O)Cc1ccc(S(=O)(=O)[N-][C@H]2CNCCC2(F)F)cc1F ZINC000572959960 491403809 /nfs/dbraw/zinc/40/38/09/491403809.db2.gz LCGOXHAQCYDQBU-LBPRGKRZSA-N -1 3 366.361 0.817 10 0 FCAEHM CCC[C@H](C)[C@@H](CO)NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000573010259 491407011 /nfs/dbraw/zinc/40/70/11/491407011.db2.gz TVHZGYNLLBZZLW-WCBMZHEXSA-N -1 3 362.224 0.625 10 0 FCAEHM Cc1noc(CCCn2cc(I)c(=O)[n-]c2=O)n1 ZINC000566020686 491413086 /nfs/dbraw/zinc/41/30/86/491413086.db2.gz AEZCCAARWLQTET-UHFFFAOYSA-N -1 3 362.127 0.878 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCO[C@H](C3CCC3)C2)cn1C ZINC000566055464 491415038 /nfs/dbraw/zinc/41/50/38/491415038.db2.gz RTZHTPZIKCBCEB-ZDUSSCGKSA-N -1 3 356.448 0.034 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)c3ccc(-n4ccnc4)nn3)cc2n(C)c1=O ZINC000558639508 491439440 /nfs/dbraw/zinc/43/94/40/491439440.db2.gz ILNFFMKSDHUHJW-UHFFFAOYSA-N -1 3 365.353 0.811 10 0 FCAEHM COC(=O)[C@H](CF)NC(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2C ZINC000573659600 491446497 /nfs/dbraw/zinc/44/64/97/491446497.db2.gz SWZWASZQLIOWIF-JTQLQIEISA-N -1 3 364.333 0.152 10 0 FCAEHM C[C@]1(c2ccc(CNC(=O)N3C[C@@H]4COC[C@H](C3)O4)cc2)NC(=O)[N-]C1=O ZINC000558940734 491449004 /nfs/dbraw/zinc/44/90/04/491449004.db2.gz XELOWKLXERVAPW-QWQRMKEZSA-N -1 3 374.397 0.050 10 0 FCAEHM COC(=O)Cc1csc(N(C)C(=O)c2cc(=O)[n-]c(N(C)C)n2)n1 ZINC000558991494 491450780 /nfs/dbraw/zinc/45/07/80/491450780.db2.gz KEKXPUXQBPPMQG-UHFFFAOYSA-N -1 3 351.388 0.697 10 0 FCAEHM O=C1[C@@H]([N-]S(=O)(=O)CC[C@H]2CCOC2)CCCN1c1cccnc1 ZINC000559070742 491453944 /nfs/dbraw/zinc/45/39/44/491453944.db2.gz CNLLHKJEBXUMOC-HIFRSBDPSA-N -1 3 353.444 0.923 10 0 FCAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CCn3ncn(C)c3=O)cc2)n1 ZINC000559201963 491457380 /nfs/dbraw/zinc/45/73/80/491457380.db2.gz CHLNCASXVZZCIZ-UHFFFAOYSA-N -1 3 354.370 0.669 10 0 FCAEHM COc1cccc(C2(NC(=O)C[C@@H]3NC(=O)[N-]C3=O)CCOCC2)c1F ZINC000566658804 491458723 /nfs/dbraw/zinc/45/87/23/491458723.db2.gz SCTWWXKWPRLSIM-NSHDSACASA-N -1 3 365.361 0.554 10 0 FCAEHM CCN(CC)CCS(=O)(=O)[N-][C@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000573963624 491466001 /nfs/dbraw/zinc/46/60/01/491466001.db2.gz AQIHISJZUNRZDA-NSHDSACASA-N -1 3 371.467 0.813 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]CC(=O)N1CCc2ccccc2C1)C1CC1 ZINC000567584485 491515137 /nfs/dbraw/zinc/51/51/37/491515137.db2.gz SRPGFTOJQKEWIE-MRXNPFEDSA-N -1 3 352.456 0.916 10 0 FCAEHM CNC(=O)[C@@H](CN=c1ncnc2[nH][n-]cc1-2)Cc1ccc(OC)c(F)c1 ZINC000567768736 491528232 /nfs/dbraw/zinc/52/82/32/491528232.db2.gz XBNNEWKBWZNKMF-LLVKDONJSA-N -1 3 358.377 0.891 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-][C@H](C)C2(S(C)(=O)=O)CC2)CCCC1 ZINC000575219871 491546404 /nfs/dbraw/zinc/54/64/04/491546404.db2.gz OPKJEOPXOISEKE-LLVKDONJSA-N -1 3 367.489 0.605 10 0 FCAEHM COc1ccc(C[C@@H](CO)C[N-]S(=O)(=O)c2cscn2)cc1O ZINC000575744585 491557882 /nfs/dbraw/zinc/55/78/82/491557882.db2.gz DKHUFDSRJKSONF-LLVKDONJSA-N -1 3 358.441 0.987 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCn2nncc2C1 ZINC000568198007 491558360 /nfs/dbraw/zinc/55/83/60/491558360.db2.gz QFMRNLGJPQDKPP-UHFFFAOYSA-N -1 3 363.399 0.806 10 0 FCAEHM CC(C)N(C[C@H]1CCC(=O)N1)C(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000560872950 491560962 /nfs/dbraw/zinc/56/09/62/491560962.db2.gz ROZBWFALAKXRHI-VXGBXAGGSA-N -1 3 373.500 0.931 10 0 FCAEHM C[C@H]1CCN(CC(=O)NCCCN2CCCCCC2=O)C[C@@H]1C(=O)[O-] ZINC000576107479 491581851 /nfs/dbraw/zinc/58/18/51/491581851.db2.gz QORLCLDFRCYBIL-GJZGRUSLSA-N -1 3 353.463 0.938 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)Nc2cnoc2)s1 ZINC000673653621 493353499 /nfs/dbraw/zinc/35/34/99/493353499.db2.gz MLIKIXCWBWKOOM-UHFFFAOYSA-N -1 3 358.401 0.289 10 0 FCAEHM CNC(=O)[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000577146439 491595490 /nfs/dbraw/zinc/59/54/90/491595490.db2.gz BQDKGPBXGMCOFE-QWRGUYRKSA-N -1 3 358.416 0.876 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)C(=O)c2cnn(-c3ccccc3)c2)nc1=N ZINC000568634326 491595741 /nfs/dbraw/zinc/59/57/41/491595741.db2.gz IIZNOYZMRDVSEY-CQSZACIVSA-N -1 3 365.397 0.960 10 0 FCAEHM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-][C@H](C[C@@H](C)CC)C(=O)OC ZINC000577218579 491603712 /nfs/dbraw/zinc/60/37/12/491603712.db2.gz DUIQNQDFEOOKGP-XQQFMLRXSA-N -1 3 364.464 0.826 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1cc(F)c(N2CCOCC2)cc1F ZINC000561457482 491610558 /nfs/dbraw/zinc/61/05/58/491610558.db2.gz NFIAHSUAFZSAQZ-UHFFFAOYSA-N -1 3 354.313 0.292 10 0 FCAEHM CC(=O)Nc1ncc(S(=O)(=O)[N-]CCc2nnc3n2CCC3)s1 ZINC000561495985 491612860 /nfs/dbraw/zinc/61/28/60/491612860.db2.gz KSKUHGDVEKDLBW-UHFFFAOYSA-N -1 3 356.433 0.160 10 0 FCAEHM O=S(=O)([N-]C[C@H]1CCCS1(=O)=O)c1cccnc1C(F)(F)F ZINC000561537424 491615285 /nfs/dbraw/zinc/61/52/85/491615285.db2.gz BSKQHEVFFQNMCH-MRVPVSSYSA-N -1 3 358.363 0.956 10 0 FCAEHM CN(C)c1ncnc2c1cc(C(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1)n2C ZINC000568872516 491615588 /nfs/dbraw/zinc/61/55/88/491615588.db2.gz QJKQBCLIGRUOSO-NSHDSACASA-N -1 3 369.433 0.553 10 0 FCAEHM O=C(NC[C@@H]1CSc2ccccc2O1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000568980299 491623927 /nfs/dbraw/zinc/62/39/27/491623927.db2.gz GONDLTXCEDEKDA-GHMZBOCLSA-N -1 3 362.411 0.485 10 0 FCAEHM O=C1[N-]C(=O)C2(CCN(S(=O)(=O)CC3Cc4ccccc4C3)CC2)N1 ZINC000569172902 491639994 /nfs/dbraw/zinc/63/99/94/491639994.db2.gz WCXJNFMKFQZFKP-UHFFFAOYSA-N -1 3 363.439 0.405 10 0 FCAEHM Cc1ccc2cccc(S(=O)(=O)N3CCC[C@]4(C3)NC(=O)[N-]C4=O)c2n1 ZINC000569307167 491650408 /nfs/dbraw/zinc/65/04/08/491650408.db2.gz YQSSBLVLUUGHGU-QGZVFWFLSA-N -1 3 374.422 0.906 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)N1CCOC[C@@H]1CC(F)F ZINC000578584894 491680232 /nfs/dbraw/zinc/68/02/32/491680232.db2.gz JABQUFXFSZOXGQ-JTQLQIEISA-N -1 3 366.361 0.987 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCC[C@H]2COCC[C@H]21 ZINC000578584235 491680290 /nfs/dbraw/zinc/68/02/90/491680290.db2.gz HNWIDOXHZBSSDJ-QWHCGFSZSA-N -1 3 357.432 0.597 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H](N)CCC(=O)OC)cc1OC ZINC000578892916 491686619 /nfs/dbraw/zinc/68/66/19/491686619.db2.gz BNBBOYWLMLXPRL-LLVKDONJSA-N -1 3 373.431 0.676 10 0 FCAEHM COCC1(CCNC(=O)CC[N-]S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000578893948 491686693 /nfs/dbraw/zinc/68/66/93/491686693.db2.gz IKQNQWFXFJPOFA-UHFFFAOYSA-N -1 3 358.464 0.330 10 0 FCAEHM CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000579122407 491691502 /nfs/dbraw/zinc/69/15/02/491691502.db2.gz CUUSMJBXLLFMAL-APIJFGDWSA-N -1 3 351.447 0.641 10 0 FCAEHM Cn1nccc1[C@@H](CO)[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000579128341 491691549 /nfs/dbraw/zinc/69/15/49/491691549.db2.gz OMSIFYSNBGAXIC-GFCCVEGCSA-N -1 3 368.390 0.456 10 0 FCAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@H](CO)c1ccnn1C ZINC000579259135 491694330 /nfs/dbraw/zinc/69/43/30/491694330.db2.gz LNMAMMYPNXVOAA-SCZZXKLOSA-N -1 3 373.353 0.257 10 0 FCAEHM COCC[C@@H](COC)NC(=O)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1 ZINC000579778302 491705244 /nfs/dbraw/zinc/70/52/44/491705244.db2.gz NWXBOFNSOFYSAX-UONOGXRCSA-N -1 3 364.402 0.610 10 0 FCAEHM COC(=O)c1cc(Cl)cc(NC(=O)CS(=O)(=O)N(C)C)c1[O-] ZINC000588101009 491738773 /nfs/dbraw/zinc/73/87/73/491738773.db2.gz TYOHYAKQRWFVRU-UHFFFAOYSA-N -1 3 350.780 0.662 10 0 FCAEHM Cn1cc(NC(=O)c2n[n-]c(C3CC3)c2Br)c(=O)n(C)c1=O ZINC000580801276 491746602 /nfs/dbraw/zinc/74/66/02/491746602.db2.gz DYXGCQHRQXKPQG-UHFFFAOYSA-N -1 3 368.191 0.699 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-]C(C)(C)c2cn(C)nn2)s1 ZINC000581726671 491784558 /nfs/dbraw/zinc/78/45/58/491784558.db2.gz XSZRLYGXYDBFQP-UHFFFAOYSA-N -1 3 357.461 0.726 10 0 FCAEHM NC(=O)[C@H](CNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)Cc1ccc(F)cc1 ZINC000591444310 491805894 /nfs/dbraw/zinc/80/58/94/491805894.db2.gz YYJQCBFAYYWWRO-LBPRGKRZSA-N -1 3 369.352 0.783 10 0 FCAEHM CC(C)(C)OC(=O)[C@](C)(O)C[N-]S(=O)(=O)CCC[C@H]1CCOC1 ZINC000592045697 491829346 /nfs/dbraw/zinc/82/93/46/491829346.db2.gz CMOCQZLFPUFYBB-SWLSCSKDSA-N -1 3 351.465 0.815 10 0 FCAEHM CC[C@H](C[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)C(=O)OC ZINC000592078597 491830807 /nfs/dbraw/zinc/83/08/07/491830807.db2.gz QJEYYYCEZVQZBN-SECBINFHSA-N -1 3 367.420 0.707 10 0 FCAEHM CC[C@@H](C(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1)N1CCO[C@H](CC)C1 ZINC000582909212 491831875 /nfs/dbraw/zinc/83/18/75/491831875.db2.gz IMWIOTIHDRTQRK-RDBSUJKOSA-N -1 3 350.467 0.781 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C[C@H](C)S(C)(=O)=O ZINC000583592844 491848217 /nfs/dbraw/zinc/84/82/17/491848217.db2.gz ZCYXZFGGQCTBDF-ZETCQYMHSA-N -1 3 353.418 0.394 10 0 FCAEHM COC(=O)CCNC(=O)CCNC(=O)c1c[n-]c2ccc(C)cc2c1=O ZINC000600498417 491864628 /nfs/dbraw/zinc/86/46/28/491864628.db2.gz MCOUZEBPEUMFQJ-UHFFFAOYSA-N -1 3 359.382 0.636 10 0 FCAEHM CCN(CC)CCS(=O)(=O)[N-][C@]1(C(=O)OC(C)(C)C)CCOC1 ZINC000594846964 491865570 /nfs/dbraw/zinc/86/55/70/491865570.db2.gz MWJIMMMAGKBCBD-OAHLLOKOSA-N -1 3 350.481 0.748 10 0 FCAEHM COC(=O)c1nscc1S(=O)(=O)[N-][C@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000594851041 491866869 /nfs/dbraw/zinc/86/68/69/491866869.db2.gz ZCUXQALVJHFMKF-SFYZADRCSA-N -1 3 368.458 0.174 10 0 FCAEHM COC(=O)[C@](C)(CCF)[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000594862575 491867665 /nfs/dbraw/zinc/86/76/65/491867665.db2.gz MTUVCSOOMLKGJN-ZDUSSCGKSA-N -1 3 367.420 0.660 10 0 FCAEHM COC(=O)[C@@](C)(CCF)[N-]S(=O)(=O)c1cnn(C2CCOCC2)c1 ZINC000594865034 491868304 /nfs/dbraw/zinc/86/83/04/491868304.db2.gz JEMRPRYPOIPIBT-CQSZACIVSA-N -1 3 363.411 0.804 10 0 FCAEHM COCc1nc(Cn2cc(I)c(=O)[n-]c2=O)no1 ZINC000594900856 491871728 /nfs/dbraw/zinc/87/17/28/491871728.db2.gz JRIRZHOEBKUZQC-UHFFFAOYSA-N -1 3 364.099 0.131 10 0 FCAEHM CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CN1CC(=O)[N-]C1=O ZINC000600928888 491888842 /nfs/dbraw/zinc/88/88/42/491888842.db2.gz PJPJTEWRLDFSSB-UHFFFAOYSA-N -1 3 373.196 0.942 10 0 FCAEHM COC(=O)C[C@@H]([N-]S(=O)(=O)C[C@@H]1CN(C)CCO1)c1cccs1 ZINC000601298704 491902622 /nfs/dbraw/zinc/90/26/22/491902622.db2.gz RMUYMTWBIQXIGC-NWDGAFQWSA-N -1 3 362.473 0.602 10 0 FCAEHM CCOC(=O)[C@]1([N-]S(=O)(=O)C[C@H]2CNCCO2)CCc2ccccc21 ZINC000601339762 491905481 /nfs/dbraw/zinc/90/54/81/491905481.db2.gz GWGICDUFJDICAJ-PBHICJAKSA-N -1 3 368.455 0.299 10 0 FCAEHM CCOC(=O)[C@@H]([N-]S(=O)(=O)C[C@H]1CNCCO1)C1CCCCCC1 ZINC000601344504 491906725 /nfs/dbraw/zinc/90/67/25/491906725.db2.gz ZXTHSIONKXKRKR-CABCVRRESA-N -1 3 362.492 0.796 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-]C[C@@H](N2CCOCC2)C(F)(F)F)CC1 ZINC000601415307 491915628 /nfs/dbraw/zinc/91/56/28/491915628.db2.gz SJWRPFLRTDVUDV-SNVBAGLBSA-N -1 3 374.381 0.122 10 0 FCAEHM CC[C@@H](C)C[C@H]([N-]S(=O)(=O)CCCN1CCN(C)CC1)C(=O)OC ZINC000601451720 491921248 /nfs/dbraw/zinc/92/12/48/491921248.db2.gz KAHVFVDGDLHSHC-CABCVRRESA-N -1 3 363.524 0.521 10 0 FCAEHM CCS(=O)(=O)C1(C[N-]S(=O)(=O)c2cc(C(=O)OC)c(C)o2)CC1 ZINC000595365028 491924486 /nfs/dbraw/zinc/92/44/86/491924486.db2.gz SUMKMKUBZBYKIJ-UHFFFAOYSA-N -1 3 365.429 0.620 10 0 FCAEHM COC(=O)COCC[N-]S(=O)(=O)Cc1ncsc1Br ZINC000601474207 491925629 /nfs/dbraw/zinc/92/56/29/491925629.db2.gz OWPUYHZLJVBJKV-UHFFFAOYSA-N -1 3 373.250 0.515 10 0 FCAEHM COC(=O)CCN1CCC[C@H](N2CCC[C@H](c3n[n-]c(=O)o3)C2)C1=O ZINC000595472924 491934907 /nfs/dbraw/zinc/93/49/07/491934907.db2.gz IRYARZYSWBKMAH-RYUDHWBXSA-N -1 3 352.391 0.509 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000612839197 491954425 /nfs/dbraw/zinc/95/44/25/491954425.db2.gz LJVYQLVVAUYNLE-VROVMSAKSA-N -1 3 350.849 0.688 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2c2ncc(I)cn2)nc1=N ZINC000596252250 491981069 /nfs/dbraw/zinc/98/10/69/491981069.db2.gz HWGMYXTWHVTSBS-QMMMGPOBSA-N -1 3 371.186 0.964 10 0 FCAEHM CC(C)(C)n1nnc(C(=O)Nc2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)n1 ZINC000613195058 491972063 /nfs/dbraw/zinc/97/20/63/491972063.db2.gz FIVAXKXXPONVQC-NSHDSACASA-N -1 3 357.374 0.431 10 0 FCAEHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)N[C@H]3CCNC3=O)c2)[n-]1 ZINC000596649956 491993815 /nfs/dbraw/zinc/99/38/15/491993815.db2.gz IPJTZJRWJGWVNB-LBPRGKRZSA-N -1 3 372.385 0.336 10 0 FCAEHM CCOC(=O)c1nc(-c2cccc(CNC(=O)N[C@H]3CCNC3=O)c2)n[n-]1 ZINC000596649956 491993816 /nfs/dbraw/zinc/99/38/16/491993816.db2.gz IPJTZJRWJGWVNB-LBPRGKRZSA-N -1 3 372.385 0.336 10 0 FCAEHM CN1CCN(c2cccc(C(=O)N3CCC[C@H](c4n[n-]c(=O)o4)C3)n2)CC1 ZINC000614389279 492027696 /nfs/dbraw/zinc/02/76/96/492027696.db2.gz KWTLWJUZONSUFY-ZDUSSCGKSA-N -1 3 372.429 0.942 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)c2cc(-n3ccnn3)ccc2F)nc1=N ZINC000614427124 492029187 /nfs/dbraw/zinc/02/91/87/492029187.db2.gz OAQMWECMIGSPDK-CYBMUJFWSA-N -1 3 356.365 0.925 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(C(=O)[C@@H](OC)[C@@H]3CCOC3)CC2)n[n-]1 ZINC000597573608 492048406 /nfs/dbraw/zinc/04/84/06/492048406.db2.gz GKESGCARYJFPBQ-OLZOCXBDSA-N -1 3 366.418 0.739 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(C(=O)[C@@H](OC)[C@@H]3CCOC3)CC2)[n-]1 ZINC000597573608 492048408 /nfs/dbraw/zinc/04/84/08/492048408.db2.gz GKESGCARYJFPBQ-OLZOCXBDSA-N -1 3 366.418 0.739 10 0 FCAEHM COC[C@@]1(C(=O)OC)CCCN1C(=O)CNC(=O)c1cccc([O-])c1 ZINC000597965689 492075972 /nfs/dbraw/zinc/07/59/72/492075972.db2.gz YGKWUKGKWCPKLZ-QGZVFWFLSA-N -1 3 350.371 0.303 10 0 FCAEHM COC(=O)C12CC(C1)CN2C(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000598058352 492082467 /nfs/dbraw/zinc/08/24/67/492082467.db2.gz BFQSFKFSSGRDTD-ASAFDHIFSA-N -1 3 357.366 0.519 10 0 FCAEHM O=C(Cc1csc(NC(=O)c2cccc([O-])c2)n1)N1CC(O)(CO)C1 ZINC000615432536 492090492 /nfs/dbraw/zinc/09/04/92/492090492.db2.gz FBNSCNNSVBBVFQ-UHFFFAOYSA-N -1 3 363.395 0.209 10 0 FCAEHM COc1ccc(C(=O)N2CCCC2)cc1NC(=O)CN1CC(=O)[N-]C1=O ZINC000605506159 492096752 /nfs/dbraw/zinc/09/67/52/492096752.db2.gz CLUGBAXBZWHNOP-UHFFFAOYSA-N -1 3 360.370 0.422 10 0 FCAEHM COC(=O)[C@H]1C[C@@H](N(C)C(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)C1 ZINC000598432023 492098090 /nfs/dbraw/zinc/09/80/90/492098090.db2.gz CKLFPWLRBCSNOH-SUFBMKPHSA-N -1 3 359.382 0.765 10 0 FCAEHM COC(=O)[C@H]1C[C@@H](N(C)C(=O)c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)C1 ZINC000598432032 492098257 /nfs/dbraw/zinc/09/82/57/492098257.db2.gz CXSXVHQYJFGDCD-SUFBMKPHSA-N -1 3 359.382 0.765 10 0 FCAEHM CCOC(=O)C12CC(C1)CN2C(=O)C[N-]S(=O)(=O)c1ccccc1F ZINC000598450173 492098850 /nfs/dbraw/zinc/09/88/50/492098850.db2.gz RLHVACIYQOUVCI-UHFFFAOYSA-N -1 3 370.402 0.658 10 0 FCAEHM CC(C)(C)OC(=O)[C@@H](CNC(=O)CC[C@@H]1NC(=O)[N-]C1=O)C1CCC1 ZINC000598575873 492105365 /nfs/dbraw/zinc/10/53/65/492105365.db2.gz DYTYQMXEJMHNDQ-RYUDHWBXSA-N -1 3 353.419 0.849 10 0 FCAEHM CCOC(=O)c1nc(CNC(=O)[C@@H](C(CC)CC)N2CCOCC2)n[n-]1 ZINC000615919210 492107392 /nfs/dbraw/zinc/10/73/92/492107392.db2.gz DVSYSKDGEXNGEQ-CQSZACIVSA-N -1 3 367.450 0.735 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)[C@@H](C(CC)CC)N2CCOCC2)[n-]1 ZINC000615919210 492107393 /nfs/dbraw/zinc/10/73/93/492107393.db2.gz DVSYSKDGEXNGEQ-CQSZACIVSA-N -1 3 367.450 0.735 10 0 FCAEHM CCOC(=O)c1n[n-]c(CNC(=O)[C@@H](C(CC)CC)N2CCOCC2)n1 ZINC000615919210 492107394 /nfs/dbraw/zinc/10/73/94/492107394.db2.gz DVSYSKDGEXNGEQ-CQSZACIVSA-N -1 3 367.450 0.735 10 0 FCAEHM C[C@H]1CCN(Cc2cc(=O)n3nc(N)[n-]c3n2)C[C@@H]1C(=O)OC(C)(C)C ZINC000598624952 492109816 /nfs/dbraw/zinc/10/98/16/492109816.db2.gz MLRDUBBUEAONFR-JQWIXIFHSA-N -1 3 362.434 0.630 10 0 FCAEHM COC[C@]1(C(=O)OC)CCCN1C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000598864492 492119421 /nfs/dbraw/zinc/11/94/21/492119421.db2.gz RWWFWMVAZQOFSA-KRWDZBQOSA-N -1 3 351.403 0.912 10 0 FCAEHM CN1C[C@@H](NC(=O)NCc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)CCC1=O ZINC000606666276 492126206 /nfs/dbraw/zinc/12/62/06/492126206.db2.gz MVBYTTMGHDIXHF-UGSOOPFHSA-N -1 3 373.413 0.161 10 0 FCAEHM C[C@@H]1CN(Cc2cccc(NC(=O)C(=O)NCc3nn[n-]n3)c2)C[C@H](C)O1 ZINC000606726785 492128138 /nfs/dbraw/zinc/12/81/38/492128138.db2.gz OAPBABUDQZKIOF-TXEJJXNPSA-N -1 3 373.417 0.064 10 0 FCAEHM C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000616477935 492133500 /nfs/dbraw/zinc/13/35/00/492133500.db2.gz HEBQJLQSWFSIRM-NSHDSACASA-N -1 3 359.386 0.222 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]Cc2cccnc2OC)on1 ZINC000599210365 492142671 /nfs/dbraw/zinc/14/26/71/492142671.db2.gz IGTSOMZJWGEKML-UHFFFAOYSA-N -1 3 355.372 0.875 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]C[C@H](O)Cc2ccccc2)on1 ZINC000599242931 492147612 /nfs/dbraw/zinc/14/76/12/492147612.db2.gz DJJYGXKJHALAGD-CYBMUJFWSA-N -1 3 368.411 0.874 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-][C@]2(CC(=O)OC)CCOC2)CCOCC1 ZINC000599279555 492153738 /nfs/dbraw/zinc/15/37/38/492153738.db2.gz URROSBXLGANUSI-AWEZNQCLSA-N -1 3 365.448 0.214 10 0 FCAEHM CO[C@H](CNC(=O)CCNC(=O)c1ccc(C)cc1[O-])[C@@H]1CCOC1 ZINC000617135980 492156408 /nfs/dbraw/zinc/15/64/08/492156408.db2.gz UOEHYBWURLAQAT-CZUORRHYSA-N -1 3 350.415 0.988 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H](C)C(=O)N2CCCC2)on1 ZINC000599297838 492156541 /nfs/dbraw/zinc/15/65/41/492156541.db2.gz QBHLZXZVUAUBSM-JTQLQIEISA-N -1 3 359.404 0.282 10 0 FCAEHM CO[C@H](CNC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1)[C@H]1CCOC1 ZINC000617148488 492156895 /nfs/dbraw/zinc/15/68/95/492156895.db2.gz RVFFUETVPDVMDA-GRYCIOLGSA-N -1 3 362.473 0.583 10 0 FCAEHM CO[C@H](CNC(=O)CNC(=O)c1c[n-]c2ccccc2c1=O)[C@@H]1CCOC1 ZINC000617145979 492156932 /nfs/dbraw/zinc/15/69/32/492156932.db2.gz SQJCJMZNHIYHAO-MLGOLLRUSA-N -1 3 373.409 0.426 10 0 FCAEHM CO[C@@H](CNC(=O)CNC(=O)c1c[n-]c2ccccc2c1=O)[C@H]1CCOC1 ZINC000617145978 492156961 /nfs/dbraw/zinc/15/69/61/492156961.db2.gz SQJCJMZNHIYHAO-LRDDRELGSA-N -1 3 373.409 0.426 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@H](CO)C2CCOCC2)on1 ZINC000599302440 492157014 /nfs/dbraw/zinc/15/70/14/492157014.db2.gz JODMDZMCCFLCDD-CYBMUJFWSA-N -1 3 362.404 0.058 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@H]2C[C@H]3CCCCN3C2=O)on1 ZINC000599323122 492160275 /nfs/dbraw/zinc/16/02/75/492160275.db2.gz FGISWCTVKQQWOA-PWSUYJOCSA-N -1 3 371.415 0.424 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]CC[C@]2(O)CCCOC2)on1 ZINC000599344568 492162964 /nfs/dbraw/zinc/16/29/64/492162964.db2.gz ZIRPXFOSEPIBPF-CQSZACIVSA-N -1 3 362.404 0.202 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N[C@H](CO)C1CCC1 ZINC000617304255 492163774 /nfs/dbraw/zinc/16/37/74/492163774.db2.gz YUTKAZBNDMSMKA-SECBINFHSA-N -1 3 352.865 0.957 10 0 FCAEHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]C[C@@H](O)[C@H]2CCCO2)s1 ZINC000599390915 492166797 /nfs/dbraw/zinc/16/67/97/492166797.db2.gz GRNMRYIIXPKLTH-RKDXNWHRSA-N -1 3 365.429 0.362 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H]1C[C@H](C)n2ncnc21 ZINC000617427693 492168038 /nfs/dbraw/zinc/16/80/38/492168038.db2.gz LJJMXQTXEYFRRE-JBLDHEPKSA-N -1 3 367.406 0.906 10 0 FCAEHM C[C@@H]1C[C@H](NC(=O)CC[N-]S(=O)(=O)c2cccs2)c2ncnn21 ZINC000617428468 492168083 /nfs/dbraw/zinc/16/80/83/492168083.db2.gz SVDARQKZECOPEI-ZJUUUORDSA-N -1 3 355.445 0.830 10 0 FCAEHM C[C@H]1C[C@@H](NC(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)c2ncnn21 ZINC000617432935 492168475 /nfs/dbraw/zinc/16/84/75/492168475.db2.gz MIDBHSLMVMKFST-IINYFYTJSA-N -1 3 366.381 0.672 10 0 FCAEHM COC(=O)[C@H](Cc1cccc(OC)c1)[N-]S(=O)(=O)c1ccn(C)n1 ZINC000599405250 492168924 /nfs/dbraw/zinc/16/89/24/492168924.db2.gz YWXVPPWYUNLVBH-ZDUSSCGKSA-N -1 3 353.400 0.491 10 0 FCAEHM COC(=O)COCC[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000599447153 492174217 /nfs/dbraw/zinc/17/42/17/492174217.db2.gz RQNMERCARLKJKQ-UHFFFAOYSA-N -1 3 365.791 0.595 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CO)[C@H]2CCC[C@@H](OC)C2)c(C)o1 ZINC000617532241 492174716 /nfs/dbraw/zinc/17/47/16/492174716.db2.gz HFZLDLIZGQEXEF-OUCADQQQSA-N -1 3 374.459 0.792 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](CO)[C@@H]2CCC[C@@H](OC)C2)cn1 ZINC000617536699 492175228 /nfs/dbraw/zinc/17/52/28/492175228.db2.gz HCHKXSBJAWUEGS-MRVWCRGKSA-N -1 3 371.459 0.286 10 0 FCAEHM COC(=O)C[C@@H](O)C[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000599461267 492176095 /nfs/dbraw/zinc/17/60/95/492176095.db2.gz BDBRAYXMQQZZKJ-SECBINFHSA-N -1 3 365.791 0.329 10 0 FCAEHM COC(=O)CCNC(=O)CC[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000599476440 492178151 /nfs/dbraw/zinc/17/81/51/492178151.db2.gz UUKUVDCYGHVSEK-UHFFFAOYSA-N -1 3 366.798 0.827 10 0 FCAEHM CO[C@]1(CO)CCCN(C(=O)CCn2[n-]c(=O)c3ccccc3c2=O)C1 ZINC000617793369 492191898 /nfs/dbraw/zinc/19/18/98/492191898.db2.gz YDJUFLRTKHJTHT-GOSISDBHSA-N -1 3 361.398 0.492 10 0 FCAEHM CO[C@@]1(CO)CCCN(C(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)C1 ZINC000617800738 492192476 /nfs/dbraw/zinc/19/24/76/492192476.db2.gz ZBFNHHDOSOVSFU-MSOLQXFVSA-N -1 3 361.398 0.355 10 0 FCAEHM CO[C@@]1(CO)CCCN(C(=O)CCNC(=O)c2ccc(C)cc2[O-])C1 ZINC000617801909 492192633 /nfs/dbraw/zinc/19/26/33/492192633.db2.gz ZGNZSIRWPGHFNK-SFHVURJKSA-N -1 3 350.415 0.820 10 0 FCAEHM CO[C@@]1(CO)CCCN(C(=O)c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)C1 ZINC000617799294 492192640 /nfs/dbraw/zinc/19/26/40/492192640.db2.gz QGJBNLGWOMZVJS-ROUUACIJSA-N -1 3 361.398 0.355 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CC[C@@H](O)C(F)(F)C1 ZINC000617819043 492193944 /nfs/dbraw/zinc/19/39/44/492193944.db2.gz YFJZEHNJWYPKMP-SECBINFHSA-N -1 3 354.400 0.645 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3c(n2)OCCO3)c(C)o1 ZINC000618080750 492210346 /nfs/dbraw/zinc/21/03/46/492210346.db2.gz XMMNUHFIGBHCJG-UHFFFAOYSA-N -1 3 353.356 0.915 10 0 FCAEHM C[C@@H]1CN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C[C@@H](C)C1=O ZINC000618092384 492210753 /nfs/dbraw/zinc/21/07/53/492210753.db2.gz YMTZDCXFAQDYMY-HTQZYQBOSA-N -1 3 358.192 0.395 10 0 FCAEHM C[C@H]1CN(C(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)C[C@H](C)C1O ZINC000618264522 492219547 /nfs/dbraw/zinc/21/95/47/492219547.db2.gz YNFWFHGEGONYMJ-RYUDHWBXSA-N -1 3 357.410 0.733 10 0 FCAEHM C[C@@H]1CC[C@@H](NC(=O)C[N-]S(=O)(=O)c2cccs2)CS1(=O)=O ZINC000618315373 492223530 /nfs/dbraw/zinc/22/35/30/492223530.db2.gz SWXIYEQOKSTMDG-NXEZZACHSA-N -1 3 366.486 0.108 10 0 FCAEHM CN(CCc1ccccc1)[C@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000618354764 492225408 /nfs/dbraw/zinc/22/54/08/492225408.db2.gz IGKUVANYBCXUGD-HNNXBMFYSA-N -1 3 356.426 0.875 10 0 FCAEHM COC(=O)c1ccc(F)c2c1CN(C(=O)C(=O)[N-]c1cnns1)CC2 ZINC000600019998 492231631 /nfs/dbraw/zinc/23/16/31/492231631.db2.gz JBNFLAGJKRNDDY-UHFFFAOYSA-N -1 3 364.358 0.987 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)Nc2cnc3c(C)cccn23)cn1C ZINC000619013707 492247308 /nfs/dbraw/zinc/24/73/08/492247308.db2.gz WVLVZUWNNMTJBL-UHFFFAOYSA-N -1 3 362.415 0.602 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NC1(CN2CCN(c3ccccc3)CC2)CC1 ZINC000619066287 492249290 /nfs/dbraw/zinc/24/92/90/492249290.db2.gz PLBDNURCAIZLPD-UHFFFAOYSA-N -1 3 371.441 0.009 10 0 FCAEHM CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3cc(=O)c4ccccc4[n-]3)C[C@H]21 ZINC000619223417 492254458 /nfs/dbraw/zinc/25/44/58/492254458.db2.gz FBMRNDRMMMXXAF-XZJROXQQSA-N -1 3 362.407 0.412 10 0 FCAEHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H]2CCN(CC)C2=O)c1 ZINC000619797418 492278620 /nfs/dbraw/zinc/27/86/20/492278620.db2.gz BIAWNYQMWQIIEU-ZDUSSCGKSA-N -1 3 358.391 0.902 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CC3(CCCC3)OC[C@@H]2C)cn1C ZINC000619927431 492282716 /nfs/dbraw/zinc/28/27/16/492282716.db2.gz RKUXQQFJHMRUHH-LBPRGKRZSA-N -1 3 370.475 0.567 10 0 FCAEHM O=C(NCCN1C[C@@H]2CCCCN2C1=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000620101603 492288351 /nfs/dbraw/zinc/28/83/51/492288351.db2.gz QKNRQIYETUBIPA-LBPRGKRZSA-N -1 3 356.382 0.590 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CC[C@H]2COC[C@@H]2C1 ZINC000620152998 492295931 /nfs/dbraw/zinc/29/59/31/492295931.db2.gz CZALSHXJCJHXAI-IUCAKERBSA-N -1 3 358.192 0.206 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CC[C@H]2COC[C@H]2C1 ZINC000620144987 492295957 /nfs/dbraw/zinc/29/59/57/492295957.db2.gz PAUUERRBQAILQJ-RWMBFGLXSA-N -1 3 356.419 0.987 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)N1CC[C@H]2COC[C@@H]2C1 ZINC000620156464 492297046 /nfs/dbraw/zinc/29/70/46/492297046.db2.gz JXYFWVWDIJNBNX-STQMWFEESA-N -1 3 356.419 0.989 10 0 FCAEHM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)C[C@H]1C(=O)[O-] ZINC000647501900 492298111 /nfs/dbraw/zinc/29/81/11/492298111.db2.gz BZLZEQGCLYYMHV-QLFBSQMISA-N -1 3 351.447 0.642 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2c(C(=O)N3CCC4(COC4)C3)cc(C3CC3)nc21 ZINC000620294655 492302699 /nfs/dbraw/zinc/30/26/99/492302699.db2.gz KUAGLNSFMANUCJ-UHFFFAOYSA-N -1 3 356.382 0.774 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1C[C@@H](C)[C@@](C)(CO)C1 ZINC000620442728 492309770 /nfs/dbraw/zinc/30/97/70/492309770.db2.gz NGMKHDFYXZVNNQ-BFQNTYOBSA-N -1 3 358.435 0.969 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)NCC[C@@H](O)C(F)F ZINC000633995062 492312833 /nfs/dbraw/zinc/31/28/33/492312833.db2.gz QSICRMKERYNXGS-SNVBAGLBSA-N -1 3 354.350 0.626 10 0 FCAEHM CO[C@H]1CN(C(=O)CCNC(=O)c2ccc(C)cc2[O-])[C@](C)(CO)C1 ZINC000634070664 492319413 /nfs/dbraw/zinc/31/94/13/492319413.db2.gz QWIJRACDDNPKOF-ACJLOTCBSA-N -1 3 350.415 0.819 10 0 FCAEHM CN(C(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)[C@@H]1CCCCN(C)C1=O ZINC000634139619 492320982 /nfs/dbraw/zinc/32/09/82/492320982.db2.gz DUDDMCBDKDXFSE-AUUYWEPGSA-N -1 3 372.425 0.824 10 0 FCAEHM CN(C(=O)CC[N-]S(=O)(=O)c1cccs1)[C@@H]1CCCCN(C)C1=O ZINC000634146270 492321470 /nfs/dbraw/zinc/32/14/70/492321470.db2.gz IWXXIZBBKJNDIU-GFCCVEGCSA-N -1 3 373.500 0.886 10 0 FCAEHM Cn1nccc1CNC(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2C ZINC000642216802 492342497 /nfs/dbraw/zinc/34/24/97/492342497.db2.gz VEUCQYMUMQVMEF-UHFFFAOYSA-N -1 3 354.370 0.575 10 0 FCAEHM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC2(CCCC2)OC[C@@H]1CN(C)C ZINC000620911592 492345024 /nfs/dbraw/zinc/34/50/24/492345024.db2.gz GNXMKUZTMZIHTF-NSHDSACASA-N -1 3 366.418 0.612 10 0 FCAEHM O=C(CS(=O)(=O)c1ccc(Cl)cc1)NCCCc1cc(=O)[nH][n-]1 ZINC000647718487 492351464 /nfs/dbraw/zinc/35/14/64/492351464.db2.gz KQQVDONHSKOXCF-UHFFFAOYSA-N -1 3 357.819 0.886 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1CCn2cncc2C1 ZINC000634660826 492359366 /nfs/dbraw/zinc/35/93/66/492359366.db2.gz CGPUEZQXDWIIMC-LLVKDONJSA-N -1 3 355.441 0.580 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@H]2CCn3cncc3C2)coc1C(=O)N(C)C ZINC000634661135 492359526 /nfs/dbraw/zinc/35/95/26/492359526.db2.gz KIUIACNITLHVAK-NSHDSACASA-N -1 3 352.416 0.780 10 0 FCAEHM C[C@H](C[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C)c1nncn1C ZINC000634658369 492359705 /nfs/dbraw/zinc/35/97/05/492359705.db2.gz FSYYUMHBBJVYBF-SSDOTTSWSA-N -1 3 352.342 0.649 10 0 FCAEHM COc1cc2c(cc1OC)CCN(Cc1cc(=O)n3nc(N)[n-]c3n1)CC2 ZINC000621250773 492363966 /nfs/dbraw/zinc/36/39/66/492363966.db2.gz QMKRJPQUZQKQPW-UHFFFAOYSA-N -1 3 370.413 0.448 10 0 FCAEHM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-][C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC000621305599 492373061 /nfs/dbraw/zinc/37/30/61/492373061.db2.gz CBSCOSIQLXTLBN-ZWNOBZJWSA-N -1 3 360.457 0.052 10 0 FCAEHM CCC(F)(F)CNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000627849277 492400778 /nfs/dbraw/zinc/40/07/78/492400778.db2.gz ACCIFGILXKWUEK-UHFFFAOYSA-N -1 3 367.349 0.834 10 0 FCAEHM CO[C@@](C)(CO)CNC(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2C ZINC000655208250 492413545 /nfs/dbraw/zinc/41/35/45/492413545.db2.gz KPUGVUATZOYLNO-QGZVFWFLSA-N -1 3 362.386 0.039 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCCc1ncnn1C ZINC000627902293 492416263 /nfs/dbraw/zinc/41/62/63/492416263.db2.gz QKIPMFQSGPUEJE-JTQLQIEISA-N -1 3 357.461 0.292 10 0 FCAEHM Cn1ncnc1CCCNC(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000627903461 492416657 /nfs/dbraw/zinc/41/66/57/492416657.db2.gz KBHZFXWPHOQDOT-UHFFFAOYSA-N -1 3 356.386 0.370 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000655244722 492419695 /nfs/dbraw/zinc/41/96/95/492419695.db2.gz SZPRIGHWPAWUHM-RWMBFGLXSA-N -1 3 370.475 0.217 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000655244723 492420483 /nfs/dbraw/zinc/42/04/83/492420483.db2.gz SZPRIGHWPAWUHM-UPJWGTAASA-N -1 3 370.475 0.217 10 0 FCAEHM Cn1nnc2c1CC[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])C2 ZINC000655303513 492432187 /nfs/dbraw/zinc/43/21/87/492432187.db2.gz SFLOJLVEAVZSID-BLLLJJGKSA-N -1 3 369.425 0.799 10 0 FCAEHM COCC1(C2CCC2)CN(C(=O)C[N-]S(=O)(=O)c2c(C)noc2C)C1 ZINC000622155752 492459565 /nfs/dbraw/zinc/45/95/65/492459565.db2.gz SYBSWLZJMHGSHC-UHFFFAOYSA-N -1 3 371.459 0.845 10 0 FCAEHM COCC1(CNS(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC1 ZINC000655639265 492469273 /nfs/dbraw/zinc/46/92/73/492469273.db2.gz FZPHEBIURPYFCJ-UHFFFAOYSA-N -1 3 366.436 0.902 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CC(C)(CC(F)F)C2)cn1C ZINC000649019783 492483991 /nfs/dbraw/zinc/48/39/91/492483991.db2.gz MHVDINQEMBAZBX-UHFFFAOYSA-N -1 3 350.391 0.511 10 0 FCAEHM Cn1nccc1[C@H](CO)NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000622694486 492484142 /nfs/dbraw/zinc/48/41/42/492484142.db2.gz NCXKUJYTXCHBCH-LBPRGKRZSA-N -1 3 356.379 0.394 10 0 FCAEHM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000649076046 492492566 /nfs/dbraw/zinc/49/25/66/492492566.db2.gz PCGLHVWAAIDNFO-ZDUSSCGKSA-N -1 3 374.445 0.173 10 0 FCAEHM CCN(CCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C1CC1 ZINC000655985286 492505612 /nfs/dbraw/zinc/50/56/12/492505612.db2.gz WPIKISNYLGMYTQ-FPMFFAJLSA-N -1 3 353.463 0.839 10 0 FCAEHM CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)CNC(=O)c2ccc([O-])cc2)C1 ZINC000649238102 492513742 /nfs/dbraw/zinc/51/37/42/492513742.db2.gz UQYIIWWCOXQEIO-OAHLLOKOSA-N -1 3 373.331 0.649 10 0 FCAEHM CC(C)[C@@H](CNC(=O)C(=O)N1CCCC[C@H](N2CCCC2)C1)C(=O)[O-] ZINC000656011380 492515658 /nfs/dbraw/zinc/51/56/58/492515658.db2.gz ZNWPAIPAVMZVHC-LSDHHAIUSA-N -1 3 353.463 0.936 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)NC[C@@H](O)[C@H]1CCCO1 ZINC000628590770 492526874 /nfs/dbraw/zinc/52/68/74/492526874.db2.gz LAWUHIRHQPFXPZ-RKDXNWHRSA-N -1 3 368.864 0.336 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCO[C@@H](CCF)C1 ZINC000629025639 492573959 /nfs/dbraw/zinc/57/39/59/492573959.db2.gz YWYBZXVAQWJJSX-QMMMGPOBSA-N -1 3 364.171 0.298 10 0 FCAEHM NS(=O)(=O)NC1CCN(C(=O)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000629187140 492588339 /nfs/dbraw/zinc/58/83/39/492588339.db2.gz PNUXJMBOTSOVQH-UHFFFAOYSA-N -1 3 353.444 0.669 10 0 FCAEHM NS(=O)(=O)NC1CCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000629190025 492589573 /nfs/dbraw/zinc/58/95/73/492589573.db2.gz WKBZQZAWIVSLDY-UHFFFAOYSA-N -1 3 359.423 0.638 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)NCC1COC1 ZINC000629201209 492590427 /nfs/dbraw/zinc/59/04/27/492590427.db2.gz JXFPXINYQDATLR-UHFFFAOYSA-N -1 3 369.262 0.552 10 0 FCAEHM CN(C(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629214776 492592362 /nfs/dbraw/zinc/59/23/62/492592362.db2.gz RLXWTFZOURIFJO-AOOOYVTPSA-N -1 3 371.397 0.247 10 0 FCAEHM CNS(=O)(=O)CCCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000629342703 492613257 /nfs/dbraw/zinc/61/32/57/492613257.db2.gz QYJMSWVAOXWZOT-ZDUSSCGKSA-N -1 3 369.443 0.052 10 0 FCAEHM C[C@]1(c2cccc(NC(=O)c3cn4c(n3)COCC4)c2)NC(=O)[N-]C1=O ZINC000624146923 492623824 /nfs/dbraw/zinc/62/38/24/492623824.db2.gz ODXPBUCGYOWDJI-QGZVFWFLSA-N -1 3 355.354 0.720 10 0 FCAEHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCN(c2nccnn2)CC1 ZINC000629428673 492625593 /nfs/dbraw/zinc/62/55/93/492625593.db2.gz UHGBHQBVSSKZAS-UHFFFAOYSA-N -1 3 353.342 0.109 10 0 FCAEHM CC(C)CN1CCO[C@H](CNC(=O)CN2CC[C@H](C(=O)[O-])[C@H](C)C2)C1 ZINC000629496437 492636634 /nfs/dbraw/zinc/63/66/34/492636634.db2.gz TWMWAMLPWDLJJC-OAGGEKHMSA-N -1 3 355.479 0.502 10 0 FCAEHM C[C@]1(CCF)NC(=O)N(Cc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)C1=O ZINC000656800279 492649560 /nfs/dbraw/zinc/64/95/60/492649560.db2.gz NCUTXAWZYAOKEY-IAGOWNOFSA-N -1 3 362.361 0.911 10 0 FCAEHM C[C@@H](CC(F)(F)F)CS(=O)(=O)N1CCC2(CC1)NC(=O)[N-]C2=O ZINC000656869789 492655141 /nfs/dbraw/zinc/65/51/41/492655141.db2.gz GBUVLZJDWJDFRG-QMMMGPOBSA-N -1 3 357.354 0.579 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]CC(=O)N(C)Cc1ccccc1)[C@@H]1CCOC1 ZINC000656880082 492658829 /nfs/dbraw/zinc/65/88/29/492658829.db2.gz FBPJZDSWAUHVQH-HZPDHXFCSA-N -1 3 370.471 0.616 10 0 FCAEHM O=S(=O)([N-]CC(F)F)c1cccc(S(=O)(=O)NCC2COC2)c1 ZINC000629622785 492660144 /nfs/dbraw/zinc/66/01/44/492660144.db2.gz JRJPDIPKDZMAFT-UHFFFAOYSA-N -1 3 370.399 0.155 10 0 FCAEHM CCn1cc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2C[C@H]2C)cn1 ZINC000629629579 492660820 /nfs/dbraw/zinc/66/08/20/492660820.db2.gz QEXHRRPPPAFLHS-ZYHUDNBSSA-N -1 3 350.466 0.363 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]CC(=O)N1CCc2ccccc21)[C@H]1CCOC1 ZINC000656892731 492661439 /nfs/dbraw/zinc/66/14/39/492661439.db2.gz SORBZQURSRZUAH-GOEBONIOSA-N -1 3 368.455 0.547 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@@H]1CCN(CC(F)(F)F)C1=O)[C@@H]1CCOC1 ZINC000656901208 492664238 /nfs/dbraw/zinc/66/42/38/492664238.db2.gz MUOLQEBXCAVKRR-GMTAPVOTSA-N -1 3 374.381 0.121 10 0 FCAEHM CC(C)C[C@H](CNC(=O)C(=O)N1CCN(c2ccncc2)CC1)C(=O)[O-] ZINC000644203185 492667031 /nfs/dbraw/zinc/66/70/31/492667031.db2.gz CUHBFZOPNYWTEL-CQSZACIVSA-N -1 3 362.430 0.593 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]CC1(O)Cc2ccccc2C1)[C@H]1CCOC1 ZINC000656913738 492667654 /nfs/dbraw/zinc/66/76/54/492667654.db2.gz HNZDZGVDWIJCLK-JKSUJKDBSA-N -1 3 355.456 0.487 10 0 FCAEHM NC(C(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O)C(F)(F)F ZINC000650784604 492667981 /nfs/dbraw/zinc/66/79/81/492667981.db2.gz NVXFEEOTPISNKQ-GMTAPVOTSA-N -1 3 359.304 0.419 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]CC(=O)Nc1ccn(C)n1)C1CCCCC1 ZINC000656973733 492682939 /nfs/dbraw/zinc/68/29/39/492682939.db2.gz JGCGTPOBNSQNNR-ZDUSSCGKSA-N -1 3 358.464 0.873 10 0 FCAEHM CCN(C)C(=O)[C@@H]([N-]S(=O)(=O)C[C@H](OC)[C@@H]1CCOC1)C(C)C ZINC000657001032 492691307 /nfs/dbraw/zinc/69/13/07/492691307.db2.gz HEAACWNOHUJLPN-RDBSUJKOSA-N -1 3 350.481 0.460 10 0 FCAEHM COC[C@@]1(C)CN(C(=O)c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)CCO1 ZINC000629903591 492699492 /nfs/dbraw/zinc/69/94/92/492699492.db2.gz VEWVTAMNBAKVET-MSOLQXFVSA-N -1 3 361.398 0.619 10 0 FCAEHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCNC1=O ZINC000657032147 492700292 /nfs/dbraw/zinc/70/02/92/492700292.db2.gz RHUNWVUWWCLAGO-ONGXEEELSA-N -1 3 362.835 0.921 10 0 FCAEHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-][C@H]1CCNC1=O ZINC000657032003 492701026 /nfs/dbraw/zinc/70/10/26/492701026.db2.gz NOXMDOITZVASML-VIFPVBQESA-N -1 3 361.807 0.474 10 0 FCAEHM CO[C@@H](C[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)[C@@H]1CCOC1 ZINC000657048148 492704425 /nfs/dbraw/zinc/70/44/25/492704425.db2.gz ZMKMZSSLMBOONG-NEPJUHHUSA-N -1 3 363.457 0.420 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H]1CCN(C2CCC2)C1=O ZINC000629928456 492706160 /nfs/dbraw/zinc/70/61/60/492706160.db2.gz BPUQSXWBKFFVJK-CMPLNLGQSA-N -1 3 371.484 0.685 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@H]1CCN(C2CCC2)C1=O ZINC000629928458 492706370 /nfs/dbraw/zinc/70/63/70/492706370.db2.gz BPUQSXWBKFFVJK-PWSUYJOCSA-N -1 3 371.484 0.685 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@H]2CCN(C3CCC3)C2=O)cc1 ZINC000629930365 492706513 /nfs/dbraw/zinc/70/65/13/492706513.db2.gz HUEGMYJFZBFEHX-CQSZACIVSA-N -1 3 351.428 0.941 10 0 FCAEHM CCO[C@H](CS(=O)(=O)[N-][C@@H]1CCN(c2cnn(C)c2)C1=O)C1CC1 ZINC000624982449 492706663 /nfs/dbraw/zinc/70/66/63/492706663.db2.gz YAQKKXCTUCPJQL-ZIAGYGMSSA-N -1 3 356.448 0.260 10 0 FCAEHM CC1(C)C[C@H](S(=O)(=O)NCCCNC(=O)c2cccc([O-])c2)CO1 ZINC000624992076 492707393 /nfs/dbraw/zinc/70/73/93/492707393.db2.gz JZIMXNGPPNWJML-AWEZNQCLSA-N -1 3 356.444 0.999 10 0 FCAEHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-]CCOCCO ZINC000624989535 492707511 /nfs/dbraw/zinc/70/75/11/492707511.db2.gz GHIKTYIEXRQWID-UHFFFAOYSA-N -1 3 359.322 0.881 10 0 FCAEHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)c2ncnn21 ZINC000657069485 492709024 /nfs/dbraw/zinc/70/90/24/492709024.db2.gz WNMSPKCVLQUIFH-WCBMZHEXSA-N -1 3 357.417 0.061 10 0 FCAEHM Cc1onc(N)c1S(=O)(=O)[N-]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000657084227 492711300 /nfs/dbraw/zinc/71/13/00/492711300.db2.gz ILLYDWNUIXLALJ-AWEZNQCLSA-N -1 3 366.443 0.610 10 0 FCAEHM O=S(=O)([N-]C[C@@]1(OCCO)CCOC1)c1ccc(F)cc1Cl ZINC000657084451 492711403 /nfs/dbraw/zinc/71/14/03/492711403.db2.gz AQZIBKGZOJBOLH-ZDUSSCGKSA-N -1 3 353.799 0.925 10 0 FCAEHM O=S(=O)(C[C@H]1CCCCC1(F)F)[N-]C[C@]1(OCCO)CCOC1 ZINC000657086716 492712851 /nfs/dbraw/zinc/71/28/51/492712851.db2.gz MUWFTPAUORLCKI-CHWSQXEVSA-N -1 3 357.419 0.899 10 0 FCAEHM CCCCN(CCCC)S(=O)(=O)[N-][C@@H]1CS(=O)(=O)C[C@@H]1OC ZINC000657098862 492717796 /nfs/dbraw/zinc/71/77/96/492717796.db2.gz DLHRJGBEOWVLQU-OLZOCXBDSA-N -1 3 356.510 0.535 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000630025925 492718090 /nfs/dbraw/zinc/71/80/90/492718090.db2.gz XMTYXXXHAYZQSJ-SWLSCSKDSA-N -1 3 357.432 0.191 10 0 FCAEHM CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]CC(=O)N1CCOCC1 ZINC000625110719 492725189 /nfs/dbraw/zinc/72/51/89/492725189.db2.gz DXYQTKKFDFLCOJ-HNNXBMFYSA-N -1 3 374.434 0.161 10 0 FCAEHM CCC(F)(F)C(C)(C)CS(=O)(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000625112633 492725835 /nfs/dbraw/zinc/72/58/35/492725835.db2.gz GFTQZNBEGLJJGN-SECBINFHSA-N -1 3 353.391 0.624 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@@](O)(C2CC2)C1 ZINC000657130850 492728591 /nfs/dbraw/zinc/72/85/91/492728591.db2.gz HUHYLCICBXAWNF-HNNXBMFYSA-N -1 3 374.484 0.520 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@@H]2COC[C@@]2(C)C1 ZINC000657167342 492735508 /nfs/dbraw/zinc/73/55/08/492735508.db2.gz NGJBMSKCBRVTRW-BXUZGUMPSA-N -1 3 360.457 0.252 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]C2CC(NS(C)(=O)=O)C2)c(F)c1F ZINC000625189909 492736949 /nfs/dbraw/zinc/73/69/49/492736949.db2.gz JDAKRZFZWXKSMH-UHFFFAOYSA-N -1 3 354.400 0.632 10 0 FCAEHM CCO[C@H](CS(=O)(=O)N1CCC[C@H]1C[C@]1(C)NC(=O)[N-]C1=O)C1CC1 ZINC000625213407 492739966 /nfs/dbraw/zinc/73/99/66/492739966.db2.gz TYXHBPMKXVRILR-ZENOOKHLSA-N -1 3 373.475 0.584 10 0 FCAEHM CCO[C@H](CS(=O)(=O)N1CCC[C@@H]1C[C@@]1(C)NC(=O)[N-]C1=O)C1CC1 ZINC000625213406 492739975 /nfs/dbraw/zinc/73/99/75/492739975.db2.gz TYXHBPMKXVRILR-XJKCOSOUSA-N -1 3 373.475 0.584 10 0 FCAEHM COCCOC1(C[N-]S(=O)(=O)[C@H]2COC(C)(C)C2)CCOCC1 ZINC000625236515 492743182 /nfs/dbraw/zinc/74/31/82/492743182.db2.gz WYIXJACQRUKZPX-CYBMUJFWSA-N -1 3 351.465 0.686 10 0 FCAEHM CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]Cc1nc(C(N)=O)co1 ZINC000625274560 492749405 /nfs/dbraw/zinc/74/94/05/492749405.db2.gz DGISIWGOHHDVLG-LBPRGKRZSA-N -1 3 371.390 0.590 10 0 FCAEHM CO[C@H](C[N-]S(=O)(=O)c1cnnn1-c1ccccc1)[C@H]1CCOC1 ZINC000625272677 492749765 /nfs/dbraw/zinc/74/97/65/492749765.db2.gz HHKHIFPLWZOMSR-GXTWGEPZSA-N -1 3 352.416 0.597 10 0 FCAEHM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cnnn2-c2ccccc2)CS1(=O)=O ZINC000625284180 492751736 /nfs/dbraw/zinc/75/17/36/492751736.db2.gz UJLYCHFPHZPGDP-VXGBXAGGSA-N -1 3 370.456 0.511 10 0 FCAEHM COC1(CS(=O)(=O)[N-]C[C@@H]2COc3ccccc3O2)CCOCC1 ZINC000651499866 492768338 /nfs/dbraw/zinc/76/83/38/492768338.db2.gz MEZROFVNJFTOOZ-CYBMUJFWSA-N -1 3 357.428 0.941 10 0 FCAEHM CCO[C@@H](CS(=O)(=O)[N-]C(c1nccn1C)c1nccn1C)C1CC1 ZINC000625377665 492768892 /nfs/dbraw/zinc/76/88/92/492768892.db2.gz RJTUFTNDLFYAQU-ZDUSSCGKSA-N -1 3 367.475 0.978 10 0 FCAEHM O=C(Cc1cn2c(n1)CCCC2)NCC[N-]S(=O)(=O)c1cccs1 ZINC000651552104 492780054 /nfs/dbraw/zinc/78/00/54/492780054.db2.gz ZSOANKIULPOERP-UHFFFAOYSA-N -1 3 368.484 0.918 10 0 FCAEHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC2(C1)CCCO2 ZINC000625430358 492781490 /nfs/dbraw/zinc/78/14/90/492781490.db2.gz ULSVRYPUOSCEOL-UHFFFAOYSA-N -1 3 360.457 0.538 10 0 FCAEHM COc1ccccc1[C@@H](CO)[N-]S(=O)(=O)CC1(OC)CCOCC1 ZINC000651573027 492784794 /nfs/dbraw/zinc/78/47/94/492784794.db2.gz KBTCFSCOXVQMNV-CQSZACIVSA-N -1 3 359.444 0.844 10 0 FCAEHM CCN(CC)CCO[C@H]1CCN(C(=O)C(=O)N=c2ncn(C(C)C)[n-]2)C1 ZINC000651597466 492789489 /nfs/dbraw/zinc/78/94/89/492789489.db2.gz OUBWUFVULNASJC-AWEZNQCLSA-N -1 3 366.466 0.179 10 0 FCAEHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)CC2(OC)CCOCC2)[C@]12CCCO2 ZINC000651642469 492798257 /nfs/dbraw/zinc/79/82/57/492798257.db2.gz XMZICNIJDMJGOJ-SQWLQELKSA-N -1 3 363.476 0.828 10 0 FCAEHM COC1(CS(=O)(=O)[N-][C@H](C(N)=O)c2ccc(F)cc2)CCOCC1 ZINC000651645517 492799241 /nfs/dbraw/zinc/79/92/41/492799241.db2.gz VHUYURQQSAQSBH-ZDUSSCGKSA-N -1 3 360.407 0.467 10 0 FCAEHM O=C(Nc1ccc2c(c1)C=CCCC2)C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000657867824 492805677 /nfs/dbraw/zinc/80/56/77/492805677.db2.gz PODSSJMEGDYNPA-OAHLLOKOSA-N -1 3 368.393 0.737 10 0 FCAEHM Cn1nccc1[C@H](CO)[N-]S(=O)(=O)c1cccc2c1OCCCO2 ZINC000651737615 492815305 /nfs/dbraw/zinc/81/53/05/492815305.db2.gz LAQDRRVKUOWEAH-NSHDSACASA-N -1 3 353.400 0.593 10 0 FCAEHM COCCN(C)CCN1C[C@@H](NC(=O)c2c([O-])cc(F)cc2F)CC1=O ZINC000644893956 492820709 /nfs/dbraw/zinc/82/07/09/492820709.db2.gz AEUGIAHUMIMTCQ-LBPRGKRZSA-N -1 3 371.384 0.579 10 0 FCAEHM CCC[C@@H](C)[C@H](CO)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000651795568 492825182 /nfs/dbraw/zinc/82/51/82/492825182.db2.gz GICAWIHMGVINJD-PWSUYJOCSA-N -1 3 350.462 0.561 10 0 FCAEHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]CC[C@@]2(O)CCOC2)s1 ZINC000651839069 492831832 /nfs/dbraw/zinc/83/18/32/492831832.db2.gz SZXFMPSLBMZORR-CQSZACIVSA-N -1 3 362.473 0.247 10 0 FCAEHM CCN1C[C@@H](C[N-]S(=O)(=O)c2coc(C(=O)N(C)C)c2C)CC1=O ZINC000651855793 492835827 /nfs/dbraw/zinc/83/58/27/492835827.db2.gz ASXICZGDHWLUFV-LLVKDONJSA-N -1 3 357.432 0.437 10 0 FCAEHM C[C@H]1CCCN(S(=O)(=O)[N-]CC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000625618164 492841002 /nfs/dbraw/zinc/84/10/02/492841002.db2.gz VQUKIVALZRNFHB-LBPRGKRZSA-N -1 3 369.443 0.963 10 0 FCAEHM CN(C)S(=O)(=O)N1CC([N-]S(=O)(=O)c2cccc(Cl)c2F)C1 ZINC000625625234 492846731 /nfs/dbraw/zinc/84/67/31/492846731.db2.gz VPVKLMBQYQBHDW-UHFFFAOYSA-N -1 3 371.843 0.248 10 0 FCAEHM Cc1nn(CC2CC2)c(C)c1CC(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000651930755 492849395 /nfs/dbraw/zinc/84/93/95/492849395.db2.gz BTUJHZYZAHDDSL-GOSISDBHSA-N -1 3 359.430 0.653 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N3CC[C@]4(CC4(F)F)C3)cnc21 ZINC000651934020 492850457 /nfs/dbraw/zinc/85/04/57/492850457.db2.gz SZEPBZZJQGNQFG-ZDUSSCGKSA-N -1 3 372.353 0.454 10 0 FCAEHM CCN1C[C@@H](S(=O)(=O)[N-]CC(=O)N(C)Cc2ccccc2)CC1=O ZINC000631775585 492850955 /nfs/dbraw/zinc/85/09/55/492850955.db2.gz AGLACOFSVZLVJA-AWEZNQCLSA-N -1 3 353.444 0.185 10 0 FCAEHM CN1CCO[C@@H](CS(=O)(=O)[N-]CC(=O)Nc2ccc(Cl)cc2)C1 ZINC000631786050 492852992 /nfs/dbraw/zinc/85/29/92/492852992.db2.gz QWRMZEXMZVDJRE-CYBMUJFWSA-N -1 3 361.851 0.529 10 0 FCAEHM Cc1cc(C2([N-]S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)CCOCC2)on1 ZINC000625653925 492853240 /nfs/dbraw/zinc/85/32/40/492853240.db2.gz QLNZVSLGWKRTJB-BETUJISGSA-N -1 3 359.448 0.932 10 0 FCAEHM CCN(Cc1ccccc1)C(=O)C[N-]S(=O)(=O)[C@@H]1CC(=O)N(CC)C1 ZINC000631794827 492854019 /nfs/dbraw/zinc/85/40/19/492854019.db2.gz YOGKQWLSVOTZSV-OAHLLOKOSA-N -1 3 367.471 0.575 10 0 FCAEHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2c2nc(C)no2)s1 ZINC000625661504 492854680 /nfs/dbraw/zinc/85/46/80/492854680.db2.gz XIWSUZJNSSGJAR-SCZZXKLOSA-N -1 3 373.416 0.601 10 0 FCAEHM CCOc1ccc(NC(=O)C[N-]S(=O)(=O)C[C@@H]2CN(C)CCO2)cc1 ZINC000631872372 492867409 /nfs/dbraw/zinc/86/74/09/492867409.db2.gz ZLIUJRFZSKMLGW-HNNXBMFYSA-N -1 3 371.459 0.274 10 0 FCAEHM Cc1cc(C)c(NC(=O)C[N-]S(=O)(=O)C[C@H]2CNCCO2)c(C)c1 ZINC000631912161 492877635 /nfs/dbraw/zinc/87/76/35/492877635.db2.gz XJENCQYAPFYFDV-CQSZACIVSA-N -1 3 355.460 0.458 10 0 FCAEHM C[C@@H]1C[C@H]([N-]S(=O)(=O)C[C@H]2CNCCO2)C(=O)N1c1ccccc1 ZINC000631924266 492886831 /nfs/dbraw/zinc/88/68/31/492886831.db2.gz QRKJUVAXCBXNFL-YUELXQCFSA-N -1 3 353.444 0.088 10 0 FCAEHM O=C1C[C@H](S(=O)(=O)[N-][C@H]2CCN(c3ccccc3)C2=O)CN1C1CC1 ZINC000631934490 492890899 /nfs/dbraw/zinc/89/08/99/492890899.db2.gz CIXHXOYSWAFTSB-GJZGRUSLSA-N -1 3 363.439 0.475 10 0 FCAEHM CN1CCO[C@@H](CS(=O)(=O)[N-][C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC000631935157 492891529 /nfs/dbraw/zinc/89/15/29/492891529.db2.gz QIMJUTRPRRUGNZ-HUUCEWRRSA-N -1 3 353.444 0.042 10 0 FCAEHM O=S(=O)(C[C@H]1CNCCO1)[N-][C@@H](Cc1ccccc1)c1ncco1 ZINC000631949768 492896015 /nfs/dbraw/zinc/89/60/15/492896015.db2.gz OYNJFMKJXGLTOE-CABCVRRESA-N -1 3 351.428 0.866 10 0 FCAEHM O=S(=O)(C[C@@H]1CNCCO1)[N-][C@@H](Cc1ccccc1)c1ncco1 ZINC000631949769 492896131 /nfs/dbraw/zinc/89/61/31/492896131.db2.gz OYNJFMKJXGLTOE-GJZGRUSLSA-N -1 3 351.428 0.866 10 0 FCAEHM O=C1C[C@@H](S(=O)(=O)[N-][C@H](CO)c2cc(F)ccc2F)CN1C1CC1 ZINC000632004265 492908530 /nfs/dbraw/zinc/90/85/30/492908530.db2.gz DUOVCMJBTMCRND-BXUZGUMPSA-N -1 3 360.382 0.681 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]C[C@H](O)C1CCOCC1 ZINC000632014259 492911186 /nfs/dbraw/zinc/91/11/86/492911186.db2.gz GEWXDXGOMBUEFH-JTQLQIEISA-N -1 3 357.354 0.505 10 0 FCAEHM CN1CCO[C@H](CS(=O)(=O)[N-]Cc2nc(C(F)(F)F)cs2)C1 ZINC000632018216 492911669 /nfs/dbraw/zinc/91/16/69/492911669.db2.gz VWOSNCBWZALYTE-QMMMGPOBSA-N -1 3 359.395 0.912 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]CC1(O)CCN(C)CC1 ZINC000632020363 492912913 /nfs/dbraw/zinc/91/29/13/492912913.db2.gz CQFYNEQTSXYRBQ-UHFFFAOYSA-N -1 3 356.370 0.174 10 0 FCAEHM CCN1C[C@H](S(=O)(=O)[N-][C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)CC1=O ZINC000632037113 492916667 /nfs/dbraw/zinc/91/66/67/492916667.db2.gz MMPVBJUQHPLFHB-BPLDGKMQSA-N -1 3 365.455 0.721 10 0 FCAEHM C[C@@H]1C[C@H]1N1C[C@H]([N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)CC1=O ZINC000632047306 492918750 /nfs/dbraw/zinc/91/87/50/492918750.db2.gz HRCWVSURADHLSO-NQMVMOMDSA-N -1 3 366.365 0.727 10 0 FCAEHM CN(C(=O)C[N-]S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1)C1CCCCC1 ZINC000632067504 492922680 /nfs/dbraw/zinc/92/26/80/492922680.db2.gz JPIUPBLDUWTGFX-AWEZNQCLSA-N -1 3 357.476 0.460 10 0 FCAEHM CN1CCC[C@H]([N-]S(=O)(=O)Cc2ncsc2Br)C1=O ZINC000632065535 492922703 /nfs/dbraw/zinc/92/27/03/492922703.db2.gz BLTKWTHEDFSTAI-ZETCQYMHSA-N -1 3 368.278 0.946 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@H]2CCC[C@H](C(N)=O)C2)coc1C(=O)N(C)C ZINC000645553520 492924822 /nfs/dbraw/zinc/92/48/22/492924822.db2.gz DFZGBDYBWQMSNE-QWRGUYRKSA-N -1 3 357.432 0.612 10 0 FCAEHM Cc1cc(N2CC[C@H]([N-]S(=O)(=O)CCOCC3CCC3)C2=O)n(C)n1 ZINC000645569096 492928407 /nfs/dbraw/zinc/92/84/07/492928407.db2.gz COMNHUPMVQZQNV-AWEZNQCLSA-N -1 3 370.475 0.570 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2C(N)=O)coc1C(=O)N(C)C ZINC000645585275 492932890 /nfs/dbraw/zinc/93/28/90/492932890.db2.gz WLYCWVJLSGWNQF-GHMZBOCLSA-N -1 3 357.432 0.612 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@@H](C)CCS(C)(=O)=O)coc1C(=O)N(C)C ZINC000645605277 492939196 /nfs/dbraw/zinc/93/91/96/492939196.db2.gz WKZLELYDKPIOSV-VIFPVBQESA-N -1 3 366.461 0.391 10 0 FCAEHM COC[C@H](CCO)[N-]S(=O)(=O)Cc1ncsc1Br ZINC000632148741 492939985 /nfs/dbraw/zinc/93/99/85/492939985.db2.gz BUASHYGPFQHCBO-ZETCQYMHSA-N -1 3 359.267 0.722 10 0 FCAEHM COC[C@H](C[N-]S(=O)(=O)Cc1ncsc1Br)OC ZINC000632197785 492948208 /nfs/dbraw/zinc/94/82/08/492948208.db2.gz XHMDTRISGMHYSB-ZETCQYMHSA-N -1 3 359.267 0.986 10 0 FCAEHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)[C@H]1OC ZINC000632211917 492951556 /nfs/dbraw/zinc/95/15/56/492951556.db2.gz ADMMQWRBOJPNRR-OPRDCNLKSA-N -1 3 357.354 0.910 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]C[C@H]1CCCCS1(=O)=O)C1CCOCC1 ZINC000645647948 492953920 /nfs/dbraw/zinc/95/39/20/492953920.db2.gz FGICIPACYIVGCQ-KGLIPLIRSA-N -1 3 369.505 0.315 10 0 FCAEHM CN1CCO[C@H](CS(=O)(=O)[N-][C@@H]2CCCN(C3CCCCC3)C2=O)C1 ZINC000632261334 492959674 /nfs/dbraw/zinc/95/96/74/492959674.db2.gz LNJPICYTKVWNCM-JKSUJKDBSA-N -1 3 373.519 0.560 10 0 FCAEHM CCO[C@@H]1C[C@](O)(C[N-]S(=O)(=O)[C@@H]2CC(=O)N(C3CC3)C2)C1(C)C ZINC000632269019 492961554 /nfs/dbraw/zinc/96/15/54/492961554.db2.gz WIHVTUXNWARDPG-IOASZLSFSA-N -1 3 360.476 0.235 10 0 FCAEHM C[C@@]1(C[C@H]2CCCN2S(=O)(=O)CCOCC2CCC2)NC(=O)[N-]C1=O ZINC000645713342 492965185 /nfs/dbraw/zinc/96/51/85/492965185.db2.gz KKHFIYUYLGNJKZ-CJNGLKHVSA-N -1 3 373.475 0.586 10 0 FCAEHM C[C@H]1OCC[C@]1(O)C[N-]S(=O)(=O)Cc1ncsc1Br ZINC000632289892 492966994 /nfs/dbraw/zinc/96/69/94/492966994.db2.gz ZVMQFWPVDKBNIJ-XCBNKYQSSA-N -1 3 371.278 0.865 10 0 FCAEHM COc1cc(F)c(S(=O)(=O)[N-]CCCc2ncn(C)n2)cc1OC ZINC000645804904 492976873 /nfs/dbraw/zinc/97/68/73/492976873.db2.gz BPTOSXRNMWJONB-UHFFFAOYSA-N -1 3 358.395 0.883 10 0 FCAEHM CCCN1C[C@@H](C[N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)CC1=O ZINC000632473660 493004709 /nfs/dbraw/zinc/00/47/09/493004709.db2.gz JXZKEMJHPPYNGA-SECBINFHSA-N -1 3 368.381 0.976 10 0 FCAEHM CC1(C)[C@@H]([N-]S(=O)(=O)CCc2ccc3c(c2)CCO3)CS1(=O)=O ZINC000632494116 493010947 /nfs/dbraw/zinc/01/09/47/493010947.db2.gz WEZYOYZRKCEAFT-AWEZNQCLSA-N -1 3 359.469 0.659 10 0 FCAEHM COC[C@@H]1C[C@@H](O)CN1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000652781199 493018491 /nfs/dbraw/zinc/01/84/91/493018491.db2.gz ROXAZYRLENUSIP-DTWKUNHWSA-N -1 3 368.864 0.288 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2c(C(=O)NCC[C@@]3(O)CCOC3)cc(C3CC3)nc21 ZINC000652809620 493022009 /nfs/dbraw/zinc/02/20/09/493022009.db2.gz KNNDJCGICCFQND-GOSISDBHSA-N -1 3 374.397 0.183 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000652814252 493023219 /nfs/dbraw/zinc/02/32/19/493023219.db2.gz UBLIOZDVJUGDPK-CVEARBPZSA-N -1 3 372.425 0.040 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000652814255 493023260 /nfs/dbraw/zinc/02/32/60/493023260.db2.gz UBLIOZDVJUGDPK-JKSUJKDBSA-N -1 3 372.425 0.040 10 0 FCAEHM C[C@H]1C[C@H]1c1noc(CC2CCN(C(=O)CN3CC(=O)[N-]C3=O)CC2)n1 ZINC000652847725 493029161 /nfs/dbraw/zinc/02/91/61/493029161.db2.gz IPTMYJILCBLSDM-CMPLNLGQSA-N -1 3 361.402 0.526 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)Nc2cc(F)cc(N(C)C)c2)cn1C ZINC000652873945 493030869 /nfs/dbraw/zinc/03/08/69/493030869.db2.gz QAWHPHYCAKEYBE-UHFFFAOYSA-N -1 3 369.422 0.851 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2C[C@@H](C)OCC23CCC3)cn1C ZINC000652880394 493030913 /nfs/dbraw/zinc/03/09/13/493030913.db2.gz CCCMZKKVUASEPG-GFCCVEGCSA-N -1 3 370.475 0.567 10 0 FCAEHM COc1cccc([C@H](C[N-]S(=O)(=O)C[C@@H]2CN(C)CCO2)OC)c1 ZINC000632589679 493037858 /nfs/dbraw/zinc/03/78/58/493037858.db2.gz VFNFETGSYGGKRO-HOTGVXAUSA-N -1 3 358.460 0.633 10 0 FCAEHM CCN1C[C@@H](S(=O)(=O)[N-]C[C@@H](OC)c2cccc(OC)c2)CC1=O ZINC000632589042 493038109 /nfs/dbraw/zinc/03/81/09/493038109.db2.gz CHRCPLXZTOQHAX-LSDHHAIUSA-N -1 3 356.444 0.923 10 0 FCAEHM O=S(=O)(Cc1ncsc1Br)[N-]C[C@@H](O)[C@H]1CCCO1 ZINC000632592448 493039523 /nfs/dbraw/zinc/03/95/23/493039523.db2.gz GAZNAYBDSJAOCG-RKDXNWHRSA-N -1 3 371.278 0.865 10 0 FCAEHM COc1ccc(CN2CC[C@@H]2C[N-]S(=O)(=O)c2nncn2C)cc1 ZINC000632594351 493040584 /nfs/dbraw/zinc/04/05/84/493040584.db2.gz IHWXYVMEKXXCQO-CYBMUJFWSA-N -1 3 351.432 0.377 10 0 FCAEHM Cn1cnc(CCCNC(=O)Nc2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)n1 ZINC000646330341 493041276 /nfs/dbraw/zinc/04/12/76/493041276.db2.gz HJGLNXIFFWMEGX-ZDUSSCGKSA-N -1 3 371.401 0.320 10 0 FCAEHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)[C@H](C)O1 ZINC000632647275 493058606 /nfs/dbraw/zinc/05/86/06/493058606.db2.gz ABEWTYHORNEADV-WOPDTQHZSA-N -1 3 362.473 0.781 10 0 FCAEHM Nc1nccc([C@H]2CCCN(C(=O)CNC(=O)c3ccc([O-])cc3)C2)n1 ZINC000653030648 493061829 /nfs/dbraw/zinc/06/18/29/493061829.db2.gz RWLDYZUEANESDN-ZDUSSCGKSA-N -1 3 355.398 0.731 10 0 FCAEHM CCN1[C@H](C)CN(C(=O)CC[N-]S(=O)(=O)c2cn(C)c(C)n2)C[C@@H]1C ZINC000640617777 493122023 /nfs/dbraw/zinc/12/20/23/493122023.db2.gz TZRDVZPGWJGRFB-BETUJISGSA-N -1 3 371.507 0.338 10 0 FCAEHM CCN(CC)CC(=O)N1CCN(C(=O)NCC2(C(=O)[O-])CCC2)CC1 ZINC000659421292 493172708 /nfs/dbraw/zinc/17/27/08/493172708.db2.gz GROZMYKDMNQKAP-UHFFFAOYSA-N -1 3 354.451 0.437 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)NC1(CF)CCOCC1 ZINC000653763845 493175847 /nfs/dbraw/zinc/17/58/47/493175847.db2.gz VMNXTQFFYQISFB-UHFFFAOYSA-N -1 3 361.373 0.893 10 0 FCAEHM C[C@@H]1C[C@@H](NC(=O)Nc2ccc(C[C@H]3NC(=O)[N-]C3=O)cc2)c2ncnn21 ZINC000666512885 493196061 /nfs/dbraw/zinc/19/60/61/493196061.db2.gz LOEXQJVDPIUKEB-OASPWFOLSA-N -1 3 369.385 0.856 10 0 FCAEHM O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)N[C@H]1CCNC1=O ZINC000666531469 493199587 /nfs/dbraw/zinc/19/95/87/493199587.db2.gz GBTONUUPMSJXJK-NSHDSACASA-N -1 3 356.379 0.276 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CCC[C@@]3(CCOC3)C2)cn1C ZINC000654248072 493218711 /nfs/dbraw/zinc/21/87/11/493218711.db2.gz ICLRDPPGVNAQLI-MRXNPFEDSA-N -1 3 370.475 0.426 10 0 FCAEHM C[C@@H]1C[C@]2(CCO1)CN(C(=O)NCc1nc(CN)cc(=O)[n-]1)C[C@H](C)O2 ZINC000659630507 493224427 /nfs/dbraw/zinc/22/44/27/493224427.db2.gz PQDLNYBESVUEGS-BWACUDIHSA-N -1 3 365.434 0.509 10 0 FCAEHM C[C@@]1(c2ccc(CNC(=O)N3CC[C@H](CC(N)=O)C3)cc2)NC(=O)[N-]C1=O ZINC000672816164 493255451 /nfs/dbraw/zinc/25/54/51/493255451.db2.gz KTSCOESMHNVIBM-XIKOKIGWSA-N -1 3 373.413 0.148 10 0 FCAEHM NCc1cc(=O)[n-]c(CNC(=O)C(=O)NCc2ccc(C(F)F)cc2)n1 ZINC000659693624 493256686 /nfs/dbraw/zinc/25/66/86/493256686.db2.gz MVJNALLXSBHUSI-UHFFFAOYSA-N -1 3 365.340 0.511 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)N2CCC(=O)N(C)CC2)ccc1F ZINC000667066330 493256764 /nfs/dbraw/zinc/25/67/64/493256764.db2.gz NZBVUDKWVCXYMM-UHFFFAOYSA-N -1 3 358.395 0.430 10 0 FCAEHM Cc1ccc(C[C@H](C)N(C)C(=O)C(=O)NCc2nc(CN)cc(=O)[n-]2)cc1 ZINC000659747977 493284179 /nfs/dbraw/zinc/28/41/79/493284179.db2.gz BSKAYCHEBZSGGH-ZDUSSCGKSA-N -1 3 371.441 0.655 10 0 FCAEHM NCc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCCC[C@H]2CC2CCC2)n1 ZINC000659747880 493284357 /nfs/dbraw/zinc/28/43/57/493284357.db2.gz LDFLWPSKPOAVKA-AWEZNQCLSA-N -1 3 361.446 0.828 10 0 FCAEHM CCCN(CCc1ccccn1)C(=O)C(=O)NCc1nc(CN)cc(=O)[n-]1 ZINC000659748273 493284866 /nfs/dbraw/zinc/28/48/66/493284866.db2.gz RSCVKLQEZUYJHT-UHFFFAOYSA-N -1 3 372.429 0.133 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CC(F)(F)C[C@H]1CO ZINC000673229489 493305400 /nfs/dbraw/zinc/30/54/00/493305400.db2.gz MXWVRODJUJHZQL-VIFPVBQESA-N -1 3 354.400 0.645 10 0 FCAEHM CC(C)(C(=O)NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)n1cccn1 ZINC000667894211 493307325 /nfs/dbraw/zinc/30/73/25/493307325.db2.gz MBSZPPHTOWEXQO-SFHVURJKSA-N -1 3 355.398 0.989 10 0 FCAEHM COC[C@@H]([N-]S(=O)(=O)C[C@]1(OC(C)C)CCOC1)C1CCOCC1 ZINC000659988218 493311879 /nfs/dbraw/zinc/31/18/79/493311879.db2.gz SWAILKGMEBCRMN-CVEARBPZSA-N -1 3 365.492 0.932 10 0 FCAEHM CCc1nc(S(=O)(=O)[N-]C[C@@]2(OCCO)CCOC2)cn1CC1CC1 ZINC000659986636 493311883 /nfs/dbraw/zinc/31/18/83/493311883.db2.gz AOMLIJOPMQXIPW-INIZCTEOSA-N -1 3 373.475 0.302 10 0 FCAEHM C[C@H]1CCCc2nc(S(=O)(=O)[N-]C3CC(NS(C)(=O)=O)C3)cn21 ZINC000668196964 493324299 /nfs/dbraw/zinc/32/42/99/493324299.db2.gz LRDACXFQHIBUHF-WHXUTIOJSA-N -1 3 362.477 0.139 10 0 FCAEHM Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)NCc1cnn[n-]1 ZINC000673928657 493375216 /nfs/dbraw/zinc/37/52/16/493375216.db2.gz PWIHAFVAAXBPAZ-UHFFFAOYSA-N -1 3 359.415 0.877 10 0 FCAEHM Cc1cc(C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)ccc1N1CCNC1=O ZINC000684079810 493392752 /nfs/dbraw/zinc/39/27/52/493392752.db2.gz OSSVHONNPRXBRJ-GOSISDBHSA-N -1 3 371.397 0.339 10 0 FCAEHM O=C(NCc1ncccc1[O-])C(=O)Nc1ccn(-c2ncccc2F)n1 ZINC000684315050 493406333 /nfs/dbraw/zinc/40/63/33/493406333.db2.gz WOKRJSQHFMMDMR-UHFFFAOYSA-N -1 3 356.317 0.762 10 0 FCAEHM CC(C)([N-]S(=O)(=O)CCNS(=O)(=O)c1ccccc1)C(F)F ZINC000684599014 493422769 /nfs/dbraw/zinc/42/27/69/493422769.db2.gz CWKIBOKRNGIOOL-UHFFFAOYSA-N -1 3 356.416 0.928 10 0 FCAEHM CCn1nc2c(cc1=O)CN(C(=O)CNC(=O)c1ccc([O-])cc1)CC2 ZINC000674605973 493433021 /nfs/dbraw/zinc/43/30/21/493433021.db2.gz LUZLDXHODUSKAB-UHFFFAOYSA-N -1 3 356.382 0.284 10 0 FCAEHM C[C@@H](NC(=O)NCC[N-]S(=O)(=O)c1cccs1)c1nccn1C ZINC000662098429 493488003 /nfs/dbraw/zinc/48/80/03/493488003.db2.gz GUCCMLXBPPTCEM-SNVBAGLBSA-N -1 3 357.461 0.820 10 0 FCAEHM CN1CC[C@H](N[C@H]2CCN(CC(=O)[O-])C2=O)[C@@H]1c1ccc(F)c(F)c1 ZINC000662210494 493496920 /nfs/dbraw/zinc/49/69/20/493496920.db2.gz GUMBRLDARVRRBF-DZKIICNBSA-N -1 3 353.369 0.985 10 0 FCAEHM CC(C)(C(=O)Nc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)n1cc(N)cn1 ZINC000662471689 493518378 /nfs/dbraw/zinc/51/83/78/493518378.db2.gz GEALNBDCNQPREP-KRWDZBQOSA-N -1 3 356.386 0.894 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CC(C2CCOCC2)C1 ZINC000685845059 493519485 /nfs/dbraw/zinc/51/94/85/493519485.db2.gz ZIDKPZIMISKYQV-UHFFFAOYSA-N -1 3 357.432 0.455 10 0 FCAEHM CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cnn(-c2ccncc2)c1 ZINC000685900490 493522197 /nfs/dbraw/zinc/52/21/97/493522197.db2.gz FSMOHWPDISQZFW-UHFFFAOYSA-N -1 3 373.460 0.291 10 0 FCAEHM CCN1CC[C@H]([N-]S(=O)(=O)c2cc(F)ccc2OCCOC)C1=O ZINC000669983957 493538699 /nfs/dbraw/zinc/53/86/99/493538699.db2.gz JTJQLVILOBUKNI-LBPRGKRZSA-N -1 3 360.407 0.750 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H](C)[C@@H]1CN(C)CCO1 ZINC000676287041 493541531 /nfs/dbraw/zinc/54/15/31/493541531.db2.gz NGRRZSUQWMDDAV-OBJOEFQTSA-N -1 3 373.450 0.328 10 0 FCAEHM CN1CCC[C@H](NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)C1 ZINC000676353128 493547220 /nfs/dbraw/zinc/54/72/20/493547220.db2.gz VUQSXJKQSNTGTN-JTQLQIEISA-N -1 3 365.452 0.570 10 0 FCAEHM CCN1CC[C@@H](NC(=O)CC[N-]S(=O)(=O)c2ccccc2F)C1=O ZINC000670169164 493549495 /nfs/dbraw/zinc/54/94/95/493549495.db2.gz AVJNCUXIVIYCAB-GFCCVEGCSA-N -1 3 357.407 0.231 10 0 FCAEHM CCN1CC[C@@H](NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1=O ZINC000670171469 493550099 /nfs/dbraw/zinc/55/00/99/493550099.db2.gz MBBKXVMJDFDXJC-MRVPVSSYSA-N -1 3 365.864 0.417 10 0 FCAEHM O=C([O-])c1ccc(CN2C(=O)C[C@H](N3CC[C@H]4COC[C@H]4C3)C2=O)cc1 ZINC000663221717 493578329 /nfs/dbraw/zinc/57/83/29/493578329.db2.gz QTTXRDNNRASTFQ-XHSDSOJGSA-N -1 3 358.394 0.981 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@@H]2C[C@@H](O)C23CCC3)s1 ZINC000663536757 493594654 /nfs/dbraw/zinc/59/46/54/493594654.db2.gz TWZWCLQXXOSUPN-GHMZBOCLSA-N -1 3 359.473 0.759 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC000677868476 493620172 /nfs/dbraw/zinc/62/01/72/493620172.db2.gz BETSANADIFFMML-HIFRSBDPSA-N -1 3 365.393 0.715 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC(c3cccnc3)CC2)c1 ZINC000678213508 493638283 /nfs/dbraw/zinc/63/82/83/493638283.db2.gz YGVRCKANXIOEJG-UHFFFAOYSA-N -1 3 363.443 0.500 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H](CO)CC(F)(F)F ZINC000678396041 493643175 /nfs/dbraw/zinc/64/31/75/493643175.db2.gz BDDHVBPBYLQXPM-DTWKUNHWSA-N -1 3 372.340 0.922 10 0 FCAEHM C[C@@H]1CC[C@@H](NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)CS1(=O)=O ZINC000664367989 493656053 /nfs/dbraw/zinc/65/60/53/493656053.db2.gz CJNGYTNBKHVANW-PSASIEDQSA-N -1 3 351.384 0.657 10 0 FCAEHM O[C@@H]1C[C@@H](Nc2cc(=N[C@H]3C[C@@H](O)C34CCC4)nc3nc[n-]n32)C12CCC2 ZINC000664466748 493662019 /nfs/dbraw/zinc/66/20/19/493662019.db2.gz NLPCORLUNVQGQQ-REWJHTLYSA-N -1 3 370.457 0.977 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)N1CC[C@H]2COC[C@@H]2C1 ZINC000664501040 493663864 /nfs/dbraw/zinc/66/38/64/493663864.db2.gz FMWKSKDZOGCHGT-RYUDHWBXSA-N -1 3 359.473 0.704 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)NCC(O)(C1CC1)C1CC1 ZINC000664502577 493663890 /nfs/dbraw/zinc/66/38/90/493663890.db2.gz NYBAPXYSSNJZIX-UHFFFAOYSA-N -1 3 373.500 0.877 10 0 FCAEHM Cc1cc(NC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)n(C2CCOCC2)n1 ZINC000679344380 493676806 /nfs/dbraw/zinc/67/68/06/493676806.db2.gz UAZIIDHRXVGBCQ-GFCCVEGCSA-N -1 3 362.390 0.311 10 0 FCAEHM C[C@@H]1CN(Cc2ccccc2)C[C@@H](c2noc(C[C@@H]3NC(=O)[N-]C3=O)n2)O1 ZINC000665011624 493694982 /nfs/dbraw/zinc/69/49/82/493694982.db2.gz ZKAJGKIXXUUREI-XBFCOCLRSA-N -1 3 371.397 0.782 10 0 FCAEHM CN1CCC[C@H](N2CCN(C(=O)NC[C@H](C(=O)[O-])C3CCC3)CC2)C1 ZINC000665325972 493710114 /nfs/dbraw/zinc/71/01/14/493710114.db2.gz SAEUUXMQOPWCSM-HOTGVXAUSA-N -1 3 352.479 0.909 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCc1ccn(C)n1 ZINC000680628888 493727731 /nfs/dbraw/zinc/72/77/31/493727731.db2.gz UBOKZOLPQRPGBE-NSHDSACASA-N -1 3 354.407 0.585 10 0 FCAEHM C[C@]1(C[C@H]2CCCN2C(=O)NCCO[C@H]2CC2(F)F)NC(=O)[N-]C1=O ZINC000666207042 493761930 /nfs/dbraw/zinc/76/19/30/493761930.db2.gz SCNLQFYVUHQGLJ-ISTVAULSSA-N -1 3 360.361 0.573 10 0 FCAEHM COC(=O)c1sc2[n-]c(CN3CCO[C@@H]([C@@H](C)O)C3)nc(=O)c2c1C ZINC000412086408 534396554 /nfs/dbraw/zinc/39/65/54/534396554.db2.gz NRKZHELLJZFYFM-NXEZZACHSA-N -1 3 367.427 0.661 10 0 FCAEHM CC(=O)N1CCN(CCNC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)CC1 ZINC000436684062 534790932 /nfs/dbraw/zinc/79/09/32/534790932.db2.gz YBDNLKFNEWAVDK-UHFFFAOYSA-N -1 3 361.442 1.000 10 0 FCAEHM C[C@H](Oc1cccc(F)c1)C(=O)N1CCO[C@H](CN(C)CC(=O)[O-])C1 ZINC000275623217 525950297 /nfs/dbraw/zinc/95/02/97/525950297.db2.gz JGJPQFUXQRIGFJ-SWLSCSKDSA-N -1 3 354.378 0.837 10 0 FCAEHM CC(C)NC(=O)[C@@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000412854668 529143345 /nfs/dbraw/zinc/14/33/45/529143345.db2.gz UPSVCYYQHMTPPZ-MNOVXSKESA-N -1 3 359.423 0.522 10 0 FCAEHM CC(C)C[C@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(=O)[O-] ZINC000424426420 535309711 /nfs/dbraw/zinc/30/97/11/535309711.db2.gz STCSLVWBEOEOSO-CABCVRRESA-N -1 3 368.478 0.681 10 0 FCAEHM CCC(=O)N[C@H]1CCCN(C(=O)C(=O)[N-]c2sccc2C(=O)OC)C1 ZINC000442220361 535324932 /nfs/dbraw/zinc/32/49/32/535324932.db2.gz PHSNOFLLRJBEQD-JTQLQIEISA-N -1 3 367.427 0.990 10 0 FCAEHM COC[C@](C)(O)CCNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000452365273 536641076 /nfs/dbraw/zinc/64/10/76/536641076.db2.gz UKWJDDGTDRWGMV-GFCCVEGCSA-N -1 3 370.880 0.584 10 0 FCAEHM CS(=O)(=O)CCCS(=O)(=O)[N-]CC(=O)C1CCC(F)(F)CC1 ZINC000425197348 536920705 /nfs/dbraw/zinc/92/07/05/536920705.db2.gz VYKLBXUIEADWAO-UHFFFAOYSA-N -1 3 361.432 0.735 10 0 FCAEHM CCCN(C[C@@H]1CCCCO1)C(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000592788636 546665873 /nfs/dbraw/zinc/66/58/73/546665873.db2.gz WACQZHQYHMTOHB-AWEZNQCLSA-N -1 3 372.491 0.815 10 0 FCAEHM CC[C@H](CNC(=O)CC[N-]S(=O)(=O)c1ccccc1F)C(=O)OC ZINC000592868386 546673901 /nfs/dbraw/zinc/67/39/01/546673901.db2.gz LWSNXQKMWZCIEY-LLVKDONJSA-N -1 3 360.407 0.810 10 0 FCAEHM COC(=O)c1sc2[n-]c(CN3C[C@@H]4C[C@H]3C[S@@]4=O)nc(=O)c2c1C ZINC000593103464 546689584 /nfs/dbraw/zinc/68/95/84/546689584.db2.gz UUCPBVSJPCUEIZ-WPOCWEFISA-N -1 3 367.452 0.785 10 0 FCAEHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCC(=O)N(C)C2)c(F)c1 ZINC000593549473 546713356 /nfs/dbraw/zinc/71/33/56/546713356.db2.gz TWXHCNMCGYDVBQ-NSHDSACASA-N -1 3 358.391 0.902 10 0 FCAEHM COC(=O)CC1([N-]S(=O)(=O)c2sc(C(=O)OC)cc2OC)CC1 ZINC000593628664 546723117 /nfs/dbraw/zinc/72/31/17/546723117.db2.gz BBXWGSQACGDDLW-UHFFFAOYSA-N -1 3 363.413 0.917 10 0 FCAEHM COC(=O)CC[C@H]([N-]S(=O)(=O)[C@@H]1CCO[C@H]1C)C(=O)OC(C)(C)C ZINC000593614547 546727188 /nfs/dbraw/zinc/72/71/88/546727188.db2.gz CYYKKANMIDYCIE-SDDRHHMPSA-N -1 3 365.448 0.747 10 0 FCAEHM COC(=O)[C@@H](CCF)NC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000593809568 546753704 /nfs/dbraw/zinc/75/37/04/546753704.db2.gz WVLKKHJWHRAGID-SECBINFHSA-N -1 3 352.409 0.434 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](OC)[C@@H]2CCOC2)cc1F ZINC000594802330 546827195 /nfs/dbraw/zinc/82/71/95/546827195.db2.gz NMKFLUDMFBNUFI-QMTHXVAHSA-N -1 3 361.391 0.942 10 0 FCAEHM COCc1nc(C[N-]S(=O)(=O)c2ccc(C(=O)OC)cc2F)n[nH]1 ZINC000594827418 546838328 /nfs/dbraw/zinc/83/83/28/546838328.db2.gz IPKJKQPEPIDBJQ-UHFFFAOYSA-N -1 3 358.351 0.355 10 0 FCAEHM CN(CC(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O)c1ccc(Cl)cn1 ZINC000325451732 546850349 /nfs/dbraw/zinc/85/03/49/546850349.db2.gz XVKNAXXFUGDRSK-HNNXBMFYSA-N -1 3 351.794 0.372 10 0 FCAEHM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-][C@@H]2CCOC[C@H]2C)c1 ZINC000277986238 546868957 /nfs/dbraw/zinc/86/89/57/546868957.db2.gz UGDQUZYIPIKDMU-ZWNOBZJWSA-N -1 3 371.411 0.963 10 0 FCAEHM C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000289504545 546874005 /nfs/dbraw/zinc/87/40/05/546874005.db2.gz ULINSGGMYSDWMC-JGVFFNPUSA-N -1 3 364.328 0.054 10 0 FCAEHM CCO[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000546783204 547045712 /nfs/dbraw/zinc/04/57/12/547045712.db2.gz MULRJRWYUJYQBW-RYUDHWBXSA-N -1 3 363.457 0.562 10 0 FCAEHM C[C@H]1CCCN1S(=O)(=O)NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000547438865 547052416 /nfs/dbraw/zinc/05/24/16/547052416.db2.gz ONIVLIAMAJHYHZ-ZBEGNZNMSA-N -1 3 366.443 0.560 10 0 FCAEHM COCCN1CN(C(=O)Cc2ccc(Br)cc2[O-])CC1=O ZINC000549827423 547071935 /nfs/dbraw/zinc/07/19/35/547071935.db2.gz IGBIZNMUYBZIIY-UHFFFAOYSA-N -1 3 357.204 0.972 10 0 FCAEHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)CC2(C(=O)OC)CCC2)[C@@H]1n1cccn1 ZINC000550016959 547076305 /nfs/dbraw/zinc/07/63/05/547076305.db2.gz ACQZWOJIUMOHSK-MCIONIFRSA-N -1 3 371.459 0.864 10 0 FCAEHM COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)[N-][C@H]1[C@@H]2COC[C@@H]21 ZINC000551200526 547132836 /nfs/dbraw/zinc/13/28/36/547132836.db2.gz PGMIUTROOUNODC-PJXYFTJBSA-N -1 3 374.846 0.974 10 0 FCAEHM COCc1ccccc1CS(=O)(=O)[N-][C@H]1CC(=O)N(C(C)C)C1=O ZINC000553425902 547278974 /nfs/dbraw/zinc/27/89/74/547278974.db2.gz GJZCSJLWMKNAHC-AWEZNQCLSA-N -1 3 354.428 0.788 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N[C@@H]2CC[C@@H]2C)s1 ZINC000553728635 547303196 /nfs/dbraw/zinc/30/31/96/547303196.db2.gz FEHWSKYCLOMRGK-JOYOIKCWSA-N -1 3 359.473 0.577 10 0 FCAEHM CC(=O)Nc1ncc(S(=O)(=O)[N-]CCc2c(C)nn(C)c2C)s1 ZINC000553772972 547306978 /nfs/dbraw/zinc/30/69/78/547306978.db2.gz CSLPHSPNKLJKEF-UHFFFAOYSA-N -1 3 357.461 0.973 10 0 FCAEHM CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2cccs2)C1 ZINC000619984461 547335750 /nfs/dbraw/zinc/33/57/50/547335750.db2.gz NEZIVWCWKIWSFU-LLVKDONJSA-N -1 3 374.488 0.241 10 0 FCAEHM CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000392756556 547415654 /nfs/dbraw/zinc/41/56/54/547415654.db2.gz VNZBRAOZBUGFQP-PIGZYNQJSA-N -1 3 350.419 0.224 10 0 FCAEHM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)C1CN([C@@H]2CCOC2)C1 ZINC000898438003 665875129 /nfs/dbraw/zinc/87/51/29/665875129.db2.gz DVRQTAQZAIIMQQ-RAIGVLPGSA-N -1 3 363.380 0.765 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC(Cc3cnn(C)c3)C2)c(C)o1 ZINC000899011576 665922230 /nfs/dbraw/zinc/92/22/30/665922230.db2.gz WCGQRPJIYWVHAC-UHFFFAOYSA-N -1 3 352.416 0.544 10 0 FCAEHM CN(CC(=O)N[N-]C(=O)c1ccccc1Br)S(C)(=O)=O ZINC000046113667 663137791 /nfs/dbraw/zinc/13/77/91/663137791.db2.gz WRQLRERCJSODHE-UHFFFAOYSA-N -1 3 364.221 0.102 10 0 FCAEHM COCCOC[C@@H](C)[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000866875177 663599190 /nfs/dbraw/zinc/59/91/90/663599190.db2.gz UVIRYOVYBPPBQU-MRVPVSSYSA-N -1 3 356.242 0.512 10 0 FCAEHM Cn1ccc(-c2noc(Cn3cc(Br)c(=O)[n-]c3=O)n2)n1 ZINC000904876372 665993882 /nfs/dbraw/zinc/99/38/82/665993882.db2.gz XOVPTIQFFZAAKB-UHFFFAOYSA-N -1 3 353.136 0.543 10 0 FCAEHM CC[C@@H]1CN(C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)CCN1C[C@@H](C)O ZINC000194216898 664251519 /nfs/dbraw/zinc/25/15/19/664251519.db2.gz RDFUJSFDWZDDEJ-UPJWGTAASA-N -1 3 367.412 0.993 10 0 FCAEHM C[C@@H]1CN(C2CC2)C[C@@H]1[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000866952845 665241885 /nfs/dbraw/zinc/24/18/85/665241885.db2.gz CQKIGSNTTVCTJT-SCZZXKLOSA-N -1 3 363.281 0.944 10 0 FCAEHM CCOC(=O)[C@@H](C)C[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000866965791 665251974 /nfs/dbraw/zinc/25/19/74/665251974.db2.gz NZFIKFVHOXUJND-ZETCQYMHSA-N -1 3 354.226 0.660 10 0 FCAEHM C[C@H](CCS(C)(=O)=O)[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000866966116 665252033 /nfs/dbraw/zinc/25/20/33/665252033.db2.gz WSOLZZBSJABCOS-SSDOTTSWSA-N -1 3 374.282 0.284 10 0 FCAEHM COCCNC(=O)C[N-]C(=O)C(F)(F)c1ncccc1Br ZINC000905484264 666024899 /nfs/dbraw/zinc/02/48/99/666024899.db2.gz NOACKUYUWBUAIM-UHFFFAOYSA-N -1 3 366.162 0.815 10 0 FCAEHM COCCN(CCOC)S(=O)(=O)[N-][C@]12CCC[C@@]1(OC)OCC2 ZINC000921316126 666431991 /nfs/dbraw/zinc/43/19/91/666431991.db2.gz WVPGMQWOIALURZ-UONOGXRCSA-N -1 3 352.453 0.101 10 0 FCAEHM CO[C@]1(C[N-]S(=O)(=O)c2cnn(C)c2Br)CCSC1 ZINC000921401851 666443305 /nfs/dbraw/zinc/44/33/05/666443305.db2.gz JVOGILLHWHXXJB-JTQLQIEISA-N -1 3 370.294 0.983 10 0 FCAEHM Cc1nn2cc(Br)cnc2c1S(=O)(=O)[N-]C[C@H]1CCN1C ZINC000921412334 666446369 /nfs/dbraw/zinc/44/63/69/666446369.db2.gz LVORDYHPWVKLIU-SNVBAGLBSA-N -1 3 374.264 0.783 10 0 FCAEHM CN1CCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C[C@H]1CO ZINC000913550865 666535691 /nfs/dbraw/zinc/53/56/91/666535691.db2.gz DBLVEGITUXFKJJ-ZDUSSCGKSA-N -1 3 371.434 0.015 10 0 FCAEHM CN(CC(=O)NC(C)(C)C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000055134203 666539147 /nfs/dbraw/zinc/53/91/47/666539147.db2.gz CTFHGBQSDDLRMC-UHFFFAOYSA-N -1 3 357.432 0.750 10 0 FCAEHM CN1CCN(CC[N-]S(=O)(=O)c2occc2Br)CC1 ZINC000914406666 666752799 /nfs/dbraw/zinc/75/27/99/666752799.db2.gz MLLHWTCSYGEWPO-UHFFFAOYSA-N -1 3 352.254 0.568 10 0 FCAEHM O=C(NCCCN1CCCS1(=O)=O)c1nnc2ccccc2c1[O-] ZINC000732282006 666864318 /nfs/dbraw/zinc/86/43/18/666864318.db2.gz JIVNAZAUPLKCSM-UHFFFAOYSA-N -1 3 350.400 0.491 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]CC23COCCN2CCOC3)c(F)c1F ZINC000918377471 667116611 /nfs/dbraw/zinc/11/66/11/667116611.db2.gz IKODRPVGQDUOSP-UHFFFAOYSA-N -1 3 362.398 0.653 10 0 FCAEHM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000921585350 667140342 /nfs/dbraw/zinc/14/03/42/667140342.db2.gz CPSQMTIYUJAHRE-QJHLZDNFSA-N -1 3 367.415 0.895 10 0 FCAEHM CNS(=O)(=O)c1ccc(F)c(C(=O)OCc2cc(=O)c([O-])co2)c1 ZINC000736756400 667143128 /nfs/dbraw/zinc/14/31/28/667143128.db2.gz YXLWMBAFIMJTDG-UHFFFAOYSA-N -1 3 357.315 0.750 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-][C@@H](CO)CN2CCOCC2)c(F)c1F ZINC000918971397 667147546 /nfs/dbraw/zinc/14/75/46/667147546.db2.gz LOKIJQOGKHZZLD-LLVKDONJSA-N -1 3 350.387 0.245 10 0 FCAEHM C[C@@H](CC[N-]S(=O)(=O)c1cn(C)nc1Br)[S@@](C)=O ZINC000866974604 667155007 /nfs/dbraw/zinc/15/50/07/667155007.db2.gz RPNIKKHLRWZKJH-BWKAKNAASA-N -1 3 358.283 0.618 10 0 FCAEHM COc1ncc(S(=O)(=O)[N-]CC(=O)N2CCOc3ccccc32)s1 ZINC000919831247 667202422 /nfs/dbraw/zinc/20/24/22/667202422.db2.gz VRVOEWQSEHPICI-UHFFFAOYSA-N -1 3 369.424 0.856 10 0 FCAEHM CN(C)Cc1csc(C[N-]S(=O)(=O)c2cnn3c2OCCC3)n1 ZINC000921094078 667268257 /nfs/dbraw/zinc/26/82/57/667268257.db2.gz XISNXWFYRLYRMP-UHFFFAOYSA-N -1 3 357.461 0.662 10 0 FCAEHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]CC[C@H](C)[S@](C)=O ZINC000751505396 667473484 /nfs/dbraw/zinc/47/34/84/667473484.db2.gz IPTJUQDZRCGKAU-PPRQPISWSA-N -1 3 368.864 0.957 10 0 FCAEHM CCOC(=O)[C@@H](CC1CC1)[N-]S(=O)(=O)N1CCC[C@H]1C(=O)OCC ZINC000751981545 667497951 /nfs/dbraw/zinc/49/79/51/667497951.db2.gz ITGFJFHAJWBCSA-OLZOCXBDSA-N -1 3 362.448 0.580 10 0 FCAEHM Cn1nccc1[C@H](O)C[N-]S(=O)(=O)c1cccc(Br)n1 ZINC000921963745 667554564 /nfs/dbraw/zinc/55/45/64/667554564.db2.gz FHIUYTNFOFJISF-SECBINFHSA-N -1 3 361.221 0.590 10 0 FCAEHM COCCN(C)S(=O)(=O)[C@@H]1CCCN(Cc2nc(C)cc(=O)[n-]2)C1 ZINC000753785928 667566253 /nfs/dbraw/zinc/56/62/53/667566253.db2.gz PNOKOEKWKLGEAW-CYBMUJFWSA-N -1 3 358.464 0.363 10 0 FCAEHM C[C@@H]1Cn2nccc2N(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC000922201916 667616743 /nfs/dbraw/zinc/61/67/43/667616743.db2.gz MWBJCPXXKYVJLM-QMMMGPOBSA-N -1 3 368.191 0.591 10 0 FCAEHM C[C@H](CC(=O)NCc1ccnn1C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000760357250 667845852 /nfs/dbraw/zinc/84/58/52/667845852.db2.gz RXPOJZLHBSBSCI-SNVBAGLBSA-N -1 3 371.850 0.842 10 0 FCAEHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(N)=O)C2)c1 ZINC000738406761 667918824 /nfs/dbraw/zinc/91/88/24/667918824.db2.gz BBBMBKKOLSNAKI-GXSJLCMTSA-N -1 3 358.391 0.935 10 0 FCAEHM COC[C@H](NC(=O)c1c[n-]c2ccc(Br)cc2c1=O)C(N)=O ZINC000768122274 668069750 /nfs/dbraw/zinc/06/97/50/668069750.db2.gz VKUAIRKMBLJVQN-NSHDSACASA-N -1 3 368.187 0.521 10 0 FCAEHM COC[C@](C)(CO)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000768455937 668082840 /nfs/dbraw/zinc/08/28/40/668082840.db2.gz YWKDIJXLUYTZPB-HNNXBMFYSA-N -1 3 362.423 0.640 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCOC[C@@H]1CCO ZINC000769059387 668112953 /nfs/dbraw/zinc/11/29/53/668112953.db2.gz FANFEYNTLLJTJB-VIFPVBQESA-N -1 3 368.864 0.290 10 0 FCAEHM O=C(O[C@H]1CCNC1=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000769990180 668166603 /nfs/dbraw/zinc/16/66/03/668166603.db2.gz PUJGDEIXUSIQHH-ZDUSSCGKSA-N -1 3 367.358 1.000 10 0 FCAEHM CCN1C(=O)c2ccc(C(=O)Nc3nnc(OC)[n-]3)cc2S1(=O)=O ZINC000770456850 668195501 /nfs/dbraw/zinc/19/55/01/668195501.db2.gz LFQZPLQIVSUKCZ-UHFFFAOYSA-N -1 3 351.344 0.230 10 0 FCAEHM CCN1C(=O)c2ccc(C(=O)Nc3n[n-]c(OC)n3)cc2S1(=O)=O ZINC000770456850 668195503 /nfs/dbraw/zinc/19/55/03/668195503.db2.gz LFQZPLQIVSUKCZ-UHFFFAOYSA-N -1 3 351.344 0.230 10 0 FCAEHM CCN1C(=O)c2ccc(C(=O)Nc3nc(OC)n[n-]3)cc2S1(=O)=O ZINC000770456850 668195504 /nfs/dbraw/zinc/19/55/04/668195504.db2.gz LFQZPLQIVSUKCZ-UHFFFAOYSA-N -1 3 351.344 0.230 10 0 FCAEHM CCN(C)S(=O)(=O)[N-]C(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000777326092 668320424 /nfs/dbraw/zinc/32/04/24/668320424.db2.gz LYPVYZOCZOUDOL-UHFFFAOYSA-N -1 3 354.476 0.755 10 0 FCAEHM O=C(COC(=O)c1cc2c(cn1)nc[nH]c2=O)[N-]C(=O)c1cccs1 ZINC000778467649 668370517 /nfs/dbraw/zinc/37/05/17/668370517.db2.gz ZVWRYKOAQSFIPA-UHFFFAOYSA-N -1 3 358.335 0.905 10 0 FCAEHM CN(CC(=O)NCc1ncccc1[O-])C1=NS(=O)(=O)c2ccccc21 ZINC000792610137 668906023 /nfs/dbraw/zinc/90/60/23/668906023.db2.gz MWQMIPUICTUEBY-UHFFFAOYSA-N -1 3 360.395 0.484 10 0 FCAEHM COC(=O)c1ccc(COC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)nc1 ZINC000793389199 668926337 /nfs/dbraw/zinc/92/63/37/668926337.db2.gz VIXUIKFRCVMGLE-GFCCVEGCSA-N -1 3 358.416 0.875 10 0 FCAEHM O=C([N-]C[C@@H]1CCCN(C(=O)[C@@H](O)C2CCOCC2)C1)C(F)(F)F ZINC000793470414 668929413 /nfs/dbraw/zinc/92/94/13/668929413.db2.gz XZGKTUGNZJNIBY-JQWIXIFHSA-N -1 3 352.353 0.691 10 0 FCAEHM Cn1cc(NC(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)nn1 ZINC000794607055 668985822 /nfs/dbraw/zinc/98/58/22/668985822.db2.gz VKXLPJCEERQSDU-UHFFFAOYSA-N -1 3 357.342 0.786 10 0 FCAEHM O=C([N-]CC1CCN(C(=O)[C@H](O)C2CCOCC2)CC1)C(F)(F)F ZINC000799022197 669275643 /nfs/dbraw/zinc/27/56/43/669275643.db2.gz CJOBZZGIHCRRCM-GFCCVEGCSA-N -1 3 352.353 0.691 10 0 FCAEHM CC(C)(CNC(=O)NCc1nc(C(F)(F)F)n[n-]1)[C@@]1(O)CCOC1 ZINC000826946193 669526091 /nfs/dbraw/zinc/52/60/91/669526091.db2.gz LHZZHRPUPALXKS-GFCCVEGCSA-N -1 3 351.329 0.800 10 0 FCAEHM CN1C[C@@H](NC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)CCC1=O ZINC000811883491 669777483 /nfs/dbraw/zinc/77/74/83/669777483.db2.gz SWIJMUNWLQBWMA-QWRGUYRKSA-N -1 3 364.368 0.707 10 0 FCAEHM CN1C[C@@H](NC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)CCC1=O ZINC000811883490 669777698 /nfs/dbraw/zinc/77/76/98/669777698.db2.gz SWIJMUNWLQBWMA-MNOVXSKESA-N -1 3 364.368 0.707 10 0 FCAEHM O=S(=O)([N-]C[C@@]1(CCO)CCOC1)c1ccc(Cl)c2nonc21 ZINC000814388455 669882490 /nfs/dbraw/zinc/88/24/90/669882490.db2.gz IKAZLBVNBTXNTJ-CYBMUJFWSA-N -1 3 361.807 0.944 10 0 FCAEHM CC[C@]1(C)NC(=O)N([N-]C(=O)[C@H](C[C@H]2COCCO2)C(F)(F)F)C1=O ZINC000834790671 669975071 /nfs/dbraw/zinc/97/50/71/669975071.db2.gz VGGCAYFJDFEBOY-RVBZMBCESA-N -1 3 367.324 0.722 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cn(C)nc1Br)C(=O)N1CCCC1 ZINC000867224904 670091248 /nfs/dbraw/zinc/09/12/48/670091248.db2.gz GJTPCAUCHZFCRX-QMMMGPOBSA-N -1 3 365.253 0.472 10 0 FCAEHM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2cnn(-c3ccncc3)c2)CCC1 ZINC000843013220 670766043 /nfs/dbraw/zinc/76/60/43/670766043.db2.gz CVTCTWRDUNFLBW-UHFFFAOYSA-N -1 3 363.443 0.811 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-][C@@H]2CCCN(CCCO)C2)c1C(F)(F)F ZINC000867326292 670814479 /nfs/dbraw/zinc/81/44/79/670814479.db2.gz AWASIWSVZIWWKN-SNVBAGLBSA-N -1 3 370.397 0.564 10 0 FCAEHM C[C@@H](Cc1cnn(C)c1)[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867360544 670928762 /nfs/dbraw/zinc/92/87/62/670928762.db2.gz JEHNWDZCTNZEAK-QMMMGPOBSA-N -1 3 362.253 0.826 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@@H]2C(=O)OCC2(C)C)c(Br)n1 ZINC000867383291 670989151 /nfs/dbraw/zinc/98/91/51/670989151.db2.gz YUKPABVORRQIKH-SSDOTTSWSA-N -1 3 352.210 0.413 10 0 FCAEHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]CC[C@@]2(O)CCOC2)c1 ZINC000845987543 671062003 /nfs/dbraw/zinc/06/20/03/671062003.db2.gz XTCYNFXDLAYLLJ-OAHLLOKOSA-N -1 3 361.391 0.822 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@H]2CCN(CC(F)F)C2)c(Br)n1 ZINC000867416971 671106289 /nfs/dbraw/zinc/10/62/89/671106289.db2.gz XELWTVUXVZMWER-ZETCQYMHSA-N -1 3 373.223 0.800 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])N1C[C@@H]2C[C@H]1C[S@]2=O ZINC000846562581 671127428 /nfs/dbraw/zinc/12/74/28/671127428.db2.gz VGXYAAOIPYCGIZ-YYWUGTDISA-N -1 3 363.370 0.219 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c([O-])cc1=O)N1C[C@@H]2C[C@H]1C[S@]2=O ZINC000846562581 671127430 /nfs/dbraw/zinc/12/74/30/671127430.db2.gz VGXYAAOIPYCGIZ-YYWUGTDISA-N -1 3 363.370 0.219 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CN(C3CC3)C(=O)O2)s1 ZINC000848512480 671282701 /nfs/dbraw/zinc/28/27/01/671282701.db2.gz FATHNJMJUCUBLV-VIFPVBQESA-N -1 3 360.413 0.796 10 0 FCAEHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H]2CCO[C@H]2C(=O)OC)c1 ZINC000849432252 671343065 /nfs/dbraw/zinc/34/30/65/671343065.db2.gz ZEDXAJCMBVZLEH-CMPLNLGQSA-N -1 3 361.347 0.221 10 0 FCAEHM CO[C@@H](COC(=O)C[N-]S(=O)(=O)c1c(C)noc1C)[C@H]1CCOC1 ZINC000849641646 671356203 /nfs/dbraw/zinc/35/62/03/671356203.db2.gz BLSJXAORZVOPEL-RYUDHWBXSA-N -1 3 362.404 0.164 10 0 FCAEHM O=C(NCCS(=O)(=O)CC(F)(F)F)c1cc2c(cc1[O-])OCO2 ZINC000855578402 671653209 /nfs/dbraw/zinc/65/32/09/671653209.db2.gz PPJHPOGFACWUHU-UHFFFAOYSA-N -1 3 355.290 0.828 10 0 FCAEHM CN(OCC(F)(F)F)C(=O)CNC(=O)c1cc2c(cc1[O-])OCO2 ZINC000857428231 671728145 /nfs/dbraw/zinc/72/81/45/671728145.db2.gz VLNBXDCLSOIHPP-UHFFFAOYSA-N -1 3 350.249 0.803 10 0 FCAEHM CN1CCOC[C@@H]1CNC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000858838239 671779205 /nfs/dbraw/zinc/77/92/05/671779205.db2.gz BWEGJEMNEKPSBK-NEPJUHHUSA-N -1 3 366.384 0.417 10 0 FCAEHM O=S(=O)([N-]CC[C@H]1CNCCS1(=O)=O)c1ccc(F)cc1F ZINC000903541331 675941152 /nfs/dbraw/zinc/94/11/52/675941152.db2.gz KXFSPMUICVWHFT-JTQLQIEISA-N -1 3 354.400 0.020 10 0 FCAEHM Cc1cc(F)c(S(=O)(=O)[N-]CC[C@@H]2CNCCS2(=O)=O)cc1F ZINC000903541989 675941505 /nfs/dbraw/zinc/94/15/05/675941505.db2.gz PHZVRVYKEVTKGF-SNVBAGLBSA-N -1 3 368.427 0.328 10 0 FCAEHM O=S(=O)([N-]CC[C@@H]1CNCCS1(=O)=O)c1cccc(Cl)c1F ZINC000903542588 675941742 /nfs/dbraw/zinc/94/17/42/675941742.db2.gz VCWPREHFGCRKNW-SECBINFHSA-N -1 3 370.855 0.534 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]Cc2nn(CC)nc2C)on1 ZINC000859195958 671799720 /nfs/dbraw/zinc/79/97/20/671799720.db2.gz GCKSBTKTBKCZRD-UHFFFAOYSA-N -1 3 357.392 0.391 10 0 FCAEHM CCON(CC)C(=O)C[N-]S(=O)(=O)c1csnc1C(=O)OC ZINC000859273488 671807124 /nfs/dbraw/zinc/80/71/24/671807124.db2.gz OFIUWNMFLDBJRE-UHFFFAOYSA-N -1 3 351.406 0.008 10 0 FCAEHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C[C@H](O)[C@@H]2CCCO2)c1F ZINC000859284808 671809145 /nfs/dbraw/zinc/80/91/45/671809145.db2.gz RGWBMTZBZDXCFW-UWVGGRQHSA-N -1 3 365.354 0.570 10 0 FCAEHM Cn1cc(CCOC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)nn1 ZINC000859532984 671834772 /nfs/dbraw/zinc/83/47/72/671834772.db2.gz MRVFIVAHHYTGIF-UHFFFAOYSA-N -1 3 364.836 0.594 10 0 FCAEHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2C[C@H](C(N)=O)C2)ccc1F ZINC000862819175 672079630 /nfs/dbraw/zinc/07/96/30/672079630.db2.gz NDIMVDNLNSDQKQ-XYPYZODXSA-N -1 3 371.434 0.896 10 0 FCAEHM CCOC(=O)C1=CC[C@@H](NC(=O)c2cc(S(=O)(=O)[N-]C)oc2C)C1 ZINC000862875616 672084532 /nfs/dbraw/zinc/08/45/32/672084532.db2.gz DFJQWGRKQKQLGT-LLVKDONJSA-N -1 3 356.400 0.878 10 0 FCAEHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2COCCC2=O)ccc1F ZINC000862930795 672087782 /nfs/dbraw/zinc/08/77/82/672087782.db2.gz BMBZWSZDRDZYAP-GFCCVEGCSA-N -1 3 372.418 0.990 10 0 FCAEHM CC(C)(C)OC(=O)NCC1(NC(=O)c2cc(=O)[n-]cn2)CCOCC1 ZINC000863018197 672097989 /nfs/dbraw/zinc/09/79/89/672097989.db2.gz QUBXAMYTDNPRHG-UHFFFAOYSA-N -1 3 352.391 0.986 10 0 FCAEHM CSCC[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866411834 672271803 /nfs/dbraw/zinc/27/18/03/672271803.db2.gz XDRAATGVEJEORA-UHFFFAOYSA-N -1 3 361.230 0.666 10 0 FCAEHM CC[S@@](C)(=O)=NS(=O)(=O)[N-]C[C@H]1CCN(CC(F)(F)F)C1 ZINC000866708094 672290332 /nfs/dbraw/zinc/29/03/32/672290332.db2.gz CWTFUFVQZRRCML-GSDQLPOLSA-N -1 3 351.416 0.823 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CCN2CCSCC2)c(Br)n1 ZINC000866777748 672303673 /nfs/dbraw/zinc/30/36/73/672303673.db2.gz NCYQIXFGYWCFCR-UHFFFAOYSA-N -1 3 369.310 0.510 10 0 FCAEHM COC(=O)c1ccoc1S(=O)(=O)[N-]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000866791806 672305973 /nfs/dbraw/zinc/30/59/73/672305973.db2.gz LBADBFVCZGYREI-ZDUSSCGKSA-N -1 3 372.443 0.988 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-][C@H]2CS(=O)(=O)C2(C)C)c1Br ZINC000867443912 672316602 /nfs/dbraw/zinc/31/66/02/672316602.db2.gz CSKITOGFARJNRR-ZETCQYMHSA-N -1 3 372.266 0.037 10 0 FCAEHM Cc1cncc(CC[N-]S(=O)(=O)c2cnn(C)c2Br)n1 ZINC000867523342 672330617 /nfs/dbraw/zinc/33/06/17/672330617.db2.gz YMFYJDKOCGLEJN-UHFFFAOYSA-N -1 3 360.237 0.802 10 0 FCAEHM CC(C)(C)OC(=O)N1CC(S(=O)(=O)[N-][C@@H]2CCCC23OCCO3)C1 ZINC000867528204 672331435 /nfs/dbraw/zinc/33/14/35/672331435.db2.gz NBCLKAQQJRASER-GFCCVEGCSA-N -1 3 362.448 0.821 10 0 FCAEHM C[C@H](O)C1([N-]S(=O)(=O)c2cnn(C)c2I)CC1 ZINC000867529789 672331869 /nfs/dbraw/zinc/33/18/69/672331869.db2.gz OBQJXLOOQGPHAB-LURJTMIESA-N -1 3 371.200 0.216 10 0 FCAEHM CCON(CC)C(=O)C[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867556002 672336474 /nfs/dbraw/zinc/33/64/74/672336474.db2.gz SZAHRWSXZKACDN-UHFFFAOYSA-N -1 3 369.241 0.261 10 0 FCAEHM CN1CCOC[C@@H]1C[N-]S(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC000867562261 672337787 /nfs/dbraw/zinc/33/77/87/672337787.db2.gz LTZSVPFOOOMSCR-QMMMGPOBSA-N -1 3 362.864 0.954 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)c1Br ZINC000867613006 672347843 /nfs/dbraw/zinc/34/78/43/672347843.db2.gz UHVFWUKTAJGDDH-ASJMHXKMSA-N -1 3 362.249 0.884 10 0 FCAEHM CCOC(=O)[C@@]1(C[N-]S(=O)(=O)c2cn(C)c(Cl)n2)CCCOC1 ZINC000867660976 672353548 /nfs/dbraw/zinc/35/35/48/672353548.db2.gz CJXDRFXJLCORMP-CYBMUJFWSA-N -1 3 365.839 0.712 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-]C2CN(c3ccncn3)C2)c1Br ZINC000867686696 672355049 /nfs/dbraw/zinc/35/50/49/672355049.db2.gz SIHHGMLGSJOPPJ-UHFFFAOYSA-N -1 3 373.236 0.140 10 0 FCAEHM O=C1OC[C@]2(C[N-]S(=O)(=O)c3cc(F)ccc3Cl)COCCN12 ZINC000867749786 672362992 /nfs/dbraw/zinc/36/29/92/672362992.db2.gz QBXQXRBQLVQIIC-ZDUSSCGKSA-N -1 3 364.782 0.979 10 0 FCAEHM COC(=O)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000867774965 672366300 /nfs/dbraw/zinc/36/63/00/672366300.db2.gz RHPUAAUBVFNKQU-RKDXNWHRSA-N -1 3 351.812 0.238 10 0 FCAEHM Cc1cccc(CN2CCO[C@H](C[N-]S(=O)(=O)c3nncn3C)C2)c1 ZINC000867791711 672368127 /nfs/dbraw/zinc/36/81/27/672368127.db2.gz QJGBINNUTUEPOQ-OAHLLOKOSA-N -1 3 365.459 0.303 10 0 FCAEHM CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000868340928 672394574 /nfs/dbraw/zinc/39/45/74/672394574.db2.gz JWGAMAVBHAYIJJ-CQSZACIVSA-N -1 3 367.471 0.962 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NC1CC2(CSC2)C1 ZINC000871513745 672556285 /nfs/dbraw/zinc/55/62/85/672556285.db2.gz CNQUMMAYHDMZAX-UHFFFAOYSA-N -1 3 360.233 0.723 10 0 FCAEHM CC1(C)COc2c(S(=O)(=O)[N-][C@@H]3CNCCC3(F)F)cnn2C1 ZINC000923647768 672954207 /nfs/dbraw/zinc/95/42/07/672954207.db2.gz VSTIGFYSLDYYCX-SNVBAGLBSA-N -1 3 350.391 0.577 10 0 FCAEHM COC1(CS(=O)(=O)[N-]C[C@]2(C(F)(F)F)CCCN2)CCOCC1 ZINC000923684570 673457888 /nfs/dbraw/zinc/45/78/88/673457888.db2.gz CUJUTKJPMQGEMR-LBPRGKRZSA-N -1 3 360.398 0.786 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@]2(OC)CCSC2)ccc1F ZINC000928497153 673912414 /nfs/dbraw/zinc/91/24/14/673912414.db2.gz XILVFPJRZMRXGM-AWEZNQCLSA-N -1 3 362.448 0.986 10 0 FCAEHM CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)c1nnc2ccccc2c1[O-] ZINC000800668930 675689768 /nfs/dbraw/zinc/68/97/68/675689768.db2.gz YPTDREPRECEFTF-ZYHUDNBSSA-N -1 3 364.427 0.783 10 0 FCAEHM CCCCOCC(=O)N1C[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@]2(C)C1 ZINC001719685305 1179367599 /nfs/dbraw/zinc/36/75/99/1179367599.db2.gz GXMVCUDBSHOATQ-ACJLOTCBSA-N -1 3 362.430 0.919 10 0 FCAEHM COCC(C)(C)C(=O)NC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001719721632 1179771706 /nfs/dbraw/zinc/77/17/06/1179771706.db2.gz RPPPVFCGWXZCRH-VXGBXAGGSA-N -1 3 350.419 0.679 10 0 FCAEHM CO[C@H](C(=O)NC[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1C)C(C)C ZINC001719733097 1179831384 /nfs/dbraw/zinc/83/13/84/1179831384.db2.gz ALKXAKGINQRATK-KYOSRNDESA-N -1 3 364.446 0.986 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2cnon2)C1 ZINC001719767547 1179929777 /nfs/dbraw/zinc/92/97/77/1179929777.db2.gz MQHSJKHBLAXFAA-MWLCHTKSSA-N -1 3 360.374 0.402 10 0 FCAEHM CC(C)CCC(=O)N[N-]C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 ZINC000066790885 1182767165 /nfs/dbraw/zinc/76/71/65/1182767165.db2.gz WZTDPEHZGSSVFD-UHFFFAOYSA-N -1 3 359.386 0.617 10 0 FCAEHM Cc1nc(C)n(CCCC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cn[n-]n2)C3)n1 ZINC001719842485 1186267912 /nfs/dbraw/zinc/26/79/12/1186267912.db2.gz ZUSOFDVKJAPTLT-IPYPFGDCSA-N -1 3 372.433 0.355 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000937503716 1188405324 /nfs/dbraw/zinc/40/53/24/1188405324.db2.gz ULCGKMAIWFJCTQ-WUHRBBMRSA-N -1 3 368.397 0.443 10 0 FCAEHM O=C(NC[C@]12OCCC[C@H]1C2(F)F)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000895786281 1189883030 /nfs/dbraw/zinc/88/30/30/1189883030.db2.gz QEEREYLGIZOQBU-HFAKWTLXSA-N -1 3 369.372 0.874 10 0 FCAEHM Cn1[n-]c(CNC/C=C/CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)nc1=O ZINC001483098042 1193898389 /nfs/dbraw/zinc/89/83/89/1193898389.db2.gz GOPCEJNXJXWVRA-MQQKUOPWSA-N -1 3 359.405 0.813 10 0 FCAEHM O=C(OCCN1C(=O)CNC1=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000046332949 1196612298 /nfs/dbraw/zinc/61/22/98/1196612298.db2.gz BUNJXFRNQYSNJR-LBPRGKRZSA-N -1 3 361.354 0.092 10 0 FCAEHM CC1(C)NC(=O)N(CC(=O)N[N-]C(=O)c2ccc3ccccc3n2)C1=O ZINC000046463667 1196686786 /nfs/dbraw/zinc/68/67/86/1196686786.db2.gz POXDDNJRYNEHSO-UHFFFAOYSA-N -1 3 355.354 0.326 10 0 FCAEHM CN1CCN(c2cccc(C(=O)N3CCC(c4nnn[n-]4)CC3)n2)CC1 ZINC000913744588 1197121635 /nfs/dbraw/zinc/12/16/35/1197121635.db2.gz VBTOJIZMYVPPAP-UHFFFAOYSA-N -1 3 356.434 0.366 10 0 FCAEHM CN1CCN(c2cccc(C(=O)N3CCC(c4nn[n-]n4)CC3)n2)CC1 ZINC000913744588 1197121640 /nfs/dbraw/zinc/12/16/40/1197121640.db2.gz VBTOJIZMYVPPAP-UHFFFAOYSA-N -1 3 356.434 0.366 10 0 FCAEHM CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)Nc2nnc(OC)[n-]2)C1 ZINC000770457384 1200448698 /nfs/dbraw/zinc/44/86/98/1200448698.db2.gz UJQXMOQJNMPDKU-LBPRGKRZSA-N -1 3 358.358 0.950 10 0 FCAEHM CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)Nc2n[n-]c(OC)n2)C1 ZINC000770457384 1200448704 /nfs/dbraw/zinc/44/87/04/1200448704.db2.gz UJQXMOQJNMPDKU-LBPRGKRZSA-N -1 3 358.358 0.950 10 0 FCAEHM CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)Nc2nc(OC)n[n-]2)C1 ZINC000770457384 1200448709 /nfs/dbraw/zinc/44/87/09/1200448709.db2.gz UJQXMOQJNMPDKU-LBPRGKRZSA-N -1 3 358.358 0.950 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)CNC(=O)OCc2ccccc2)[n-]1 ZINC000787906372 1200916392 /nfs/dbraw/zinc/91/63/92/1200916392.db2.gz PMKSNRAMFHLBDI-UHFFFAOYSA-N -1 3 361.358 0.524 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)c1 ZINC001170154759 1201143396 /nfs/dbraw/zinc/14/33/96/1201143396.db2.gz BKHBXOSNUPPNFE-UWVGGRQHSA-N -1 3 363.370 0.313 10 0 FCAEHM CN(C)C(=O)c1cc(F)ccc1NC(=O)C(=O)NCc1ncccc1[O-] ZINC000792413961 1201193419 /nfs/dbraw/zinc/19/34/19/1201193419.db2.gz UWLYXXWGJCLYBT-UHFFFAOYSA-N -1 3 360.345 0.883 10 0 FCAEHM O=C(COC(=O)c1cnn[n-]1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000805609231 1203060870 /nfs/dbraw/zinc/06/08/70/1203060870.db2.gz ORFYTBPESGWPTL-UHFFFAOYSA-N -1 3 357.370 0.383 10 0 FCAEHM O=C(COC(=O)c1c[n-]nn1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000805609231 1203060872 /nfs/dbraw/zinc/06/08/72/1203060872.db2.gz ORFYTBPESGWPTL-UHFFFAOYSA-N -1 3 357.370 0.383 10 0 FCAEHM COc1ccc(-n2cc(C(=O)N3CCC(Cc4nnn[n-]4)CC3)nn2)cc1 ZINC001176780250 1206319755 /nfs/dbraw/zinc/31/97/55/1206319755.db2.gz KNBCUOHQKHPXSL-UHFFFAOYSA-N -1 3 368.401 0.884 10 0 FCAEHM COc1ccc(-n2cc(C(=O)N3CCC(Cc4nn[n-]n4)CC3)nn2)cc1 ZINC001176780250 1206319759 /nfs/dbraw/zinc/31/97/59/1206319759.db2.gz KNBCUOHQKHPXSL-UHFFFAOYSA-N -1 3 368.401 0.884 10 0 FCAEHM CNC(=O)C1(NC(=O)CCNC(=O)c2ccc(C)cc2[O-])CCOCC1 ZINC001177998122 1206350503 /nfs/dbraw/zinc/35/05/03/1206350503.db2.gz MPCKHYCXXGORNY-UHFFFAOYSA-N -1 3 363.414 0.232 10 0 FCAEHM CCOC(=O)N[C@H](C(=O)N1CCN(c2nc(C)cc(=O)[n-]2)CC1)C(C)C ZINC001178039556 1206351968 /nfs/dbraw/zinc/35/19/68/1206351968.db2.gz YLOHPAUKLHKGHZ-AWEZNQCLSA-N -1 3 365.434 0.910 10 0 FCAEHM CCOC(=O)N[C@@H](C(=O)N1CCN(c2nc(C)cc(=O)[n-]2)CC1)C(C)C ZINC001178039557 1206352162 /nfs/dbraw/zinc/35/21/62/1206352162.db2.gz YLOHPAUKLHKGHZ-CQSZACIVSA-N -1 3 365.434 0.910 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccc(-n2cnnn2)cc1 ZINC001180029051 1206387694 /nfs/dbraw/zinc/38/76/94/1206387694.db2.gz XTEZONUTSYYVJB-GFCCVEGCSA-N -1 3 352.358 0.167 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccc(-n2ccnn2)cc1 ZINC001180027866 1206387701 /nfs/dbraw/zinc/38/77/01/1206387701.db2.gz NZODVFUDCAARRZ-ZDUSSCGKSA-N -1 3 351.370 0.772 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)[C@H]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC001180029055 1206387895 /nfs/dbraw/zinc/38/78/95/1206387895.db2.gz YABGMCFWDALFPS-MQYQWHSLSA-N -1 3 359.430 0.572 10 0 FCAEHM C[C@H]1CC[C@](CO)(NCc2cc(=O)n3nc(N)[n-]c3n2)c2ccccc21 ZINC001198695417 1208279067 /nfs/dbraw/zinc/27/90/67/1208279067.db2.gz OCPHYTQWKQDQJL-BBATYDOGSA-N -1 3 354.414 0.875 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C1CC1)N(C)C(=O)c1cnc[n-]c1=O ZINC001487660734 1208387780 /nfs/dbraw/zinc/38/77/80/1208387780.db2.gz AEOCYOPJRSNCGX-SNPRPXQTSA-N -1 3 362.430 0.964 10 0 FCAEHM C[C@@H](CN(C)C(=O)c1cnc[n-]c1=O)NC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001487813228 1208399012 /nfs/dbraw/zinc/39/90/12/1208399012.db2.gz HTKWUFKGVDHPGO-FPMFFAJLSA-N -1 3 355.398 0.958 10 0 FCAEHM CCn1nc2c(cc1=O)CN(C(=O)NCc1nc(C(F)(F)F)n[n-]1)CC2 ZINC000776252172 1208481877 /nfs/dbraw/zinc/48/18/77/1208481877.db2.gz ANOARSBATHXRGV-UHFFFAOYSA-N -1 3 371.323 0.668 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)CCCn2ccnc2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001489151536 1208645761 /nfs/dbraw/zinc/64/57/61/1208645761.db2.gz VUGRSVDWTJMXPY-UONOGXRCSA-N -1 3 361.450 0.254 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@H]1CCN(CC(=O)N[C@H](C)C2CC2)[C@@H]1C ZINC001489285838 1208716764 /nfs/dbraw/zinc/71/67/64/1208716764.db2.gz MGUDTQDQZMTIPQ-QKCSRTOESA-N -1 3 361.446 0.598 10 0 FCAEHM C[C@H](Oc1ccccn1)C(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1O ZINC001489376930 1208800229 /nfs/dbraw/zinc/80/02/29/1208800229.db2.gz GDSPFOVDUPCPMO-JGGQBBKZSA-N -1 3 371.393 0.556 10 0 FCAEHM CC(C)C[C@@H](C)CC(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1 ZINC001489594428 1209017710 /nfs/dbraw/zinc/01/77/10/1209017710.db2.gz ULBAUGNWWXLMFV-BNOWGMLFSA-N -1 3 350.419 0.556 10 0 FCAEHM O=C(Cn1ncc2cccnc21)NC[C@H]1CC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC001489894180 1209114997 /nfs/dbraw/zinc/11/49/97/1209114997.db2.gz IBLUSAZLEUGQAO-WCQYABFASA-N -1 3 368.401 0.264 10 0 FCAEHM CCNC(=O)CC(=O)N1CC[C@H](NC(=O)c2cccc3n[n-]nc32)[C@H]1C ZINC001490095719 1209254260 /nfs/dbraw/zinc/25/42/60/1209254260.db2.gz VLBNGZMUYMJNNG-PWSUYJOCSA-N -1 3 358.402 0.203 10 0 FCAEHM COCCC1(C(=O)NC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@H]2C)CC1 ZINC001490314526 1209312465 /nfs/dbraw/zinc/31/24/65/1209312465.db2.gz MKUAXNQLVTZILG-CHWSQXEVSA-N -1 3 362.430 0.823 10 0 FCAEHM C[C@@H]1CN(C(=O)CCOCC2CC2)C[C@H]1CNC(=O)c1cnc[n-]c1=O ZINC001490322011 1209317281 /nfs/dbraw/zinc/31/72/81/1209317281.db2.gz NMKYOBTVJJXJIP-TZMCWYRMSA-N -1 3 362.430 0.823 10 0 FCAEHM C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1CCNC(=O)c1ccccc1[O-] ZINC001490388069 1209331385 /nfs/dbraw/zinc/33/13/85/1209331385.db2.gz BVVYLBUPUMRACH-CHWSQXEVSA-N -1 3 362.430 0.665 10 0 FCAEHM C[C@@H]1CN(C(=O)[C@@H]2CCCCO2)C[C@H]1CCNC(=O)c1cnc[n-]c1=O ZINC001490428957 1209351487 /nfs/dbraw/zinc/35/14/87/1209351487.db2.gz LPYSNDFQWYQNLZ-NFAWXSAZSA-N -1 3 362.430 0.966 10 0 FCAEHM CC(C)(O)CC(=O)NC[C@]12CCC[C@H]1N(C(=O)c1cnc[n-]c1=O)CC2 ZINC001490491016 1209359400 /nfs/dbraw/zinc/35/94/00/1209359400.db2.gz RVSDJUGPAYTGRW-FZKQIMNGSA-N -1 3 362.430 0.844 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001490458417 1209364275 /nfs/dbraw/zinc/36/42/75/1209364275.db2.gz AEQBLETUXXLWPB-GBOPCIDUSA-N -1 3 359.426 0.728 10 0 FCAEHM O=C(N[C@H]1CCNC(=O)CC1)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC000854956327 1209652637 /nfs/dbraw/zinc/65/26/37/1209652637.db2.gz JFHDPIRMJLJHIZ-LLVKDONJSA-N -1 3 360.345 0.272 10 0 FCAEHM O=C(N[C@H]1CCNC(=O)CC1)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000854956327 1209652642 /nfs/dbraw/zinc/65/26/42/1209652642.db2.gz JFHDPIRMJLJHIZ-LLVKDONJSA-N -1 3 360.345 0.272 10 0 FCAEHM CC(C)(C)OC(=O)NCc1cc(=O)[n-]c(CNC(=O)Cc2cncnc2)n1 ZINC000856336406 1209706068 /nfs/dbraw/zinc/70/60/68/1209706068.db2.gz PQYXLSGWRQBGSH-UHFFFAOYSA-N -1 3 374.401 0.856 10 0 FCAEHM CC(C)(C)OC(=O)NCc1cc(=O)[n-]c(CNC(=O)Cn2ccnc2)n1 ZINC000856334212 1209706605 /nfs/dbraw/zinc/70/66/05/1209706605.db2.gz OXMIQUVQBVHPHE-UHFFFAOYSA-N -1 3 362.390 0.720 10 0 FCAEHM O=C(NCc1ncccc1[O-])C1(O)CN(C(=O)OCc2ccccc2)C1 ZINC000861442648 1209867298 /nfs/dbraw/zinc/86/72/98/1209867298.db2.gz PXHZXOKUUKHZMM-UHFFFAOYSA-N -1 3 357.366 0.787 10 0 FCAEHM CCn1ncc(CNC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])n1 ZINC000862382567 1209911747 /nfs/dbraw/zinc/91/17/47/1209911747.db2.gz VNCWHDNQXWQDND-UHFFFAOYSA-N -1 3 358.333 0.415 10 0 FCAEHM CCn1ncc(CNC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)n1 ZINC000862382567 1209911750 /nfs/dbraw/zinc/91/17/50/1209911750.db2.gz VNCWHDNQXWQDND-UHFFFAOYSA-N -1 3 358.333 0.415 10 0 FCAEHM CN(C)C(=O)COc1ccc(C(F)(F)C(=O)[N-][C@H]2COCCC2=O)cc1 ZINC000862933265 1209929194 /nfs/dbraw/zinc/92/91/94/1209929194.db2.gz DTWXEKLNBQJKJT-ZDUSSCGKSA-N -1 3 370.352 0.720 10 0 FCAEHM CC[C@@H](CNC(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1)C(=O)[O-] ZINC000927957757 1211594769 /nfs/dbraw/zinc/59/47/69/1211594769.db2.gz ZRVGLEZMMOVQOZ-HOTGVXAUSA-N -1 3 361.442 0.946 10 0 FCAEHM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N[C@@H]3CCN(C)[C@H]3C)cc2)[n-]1 ZINC000928453066 1211602966 /nfs/dbraw/zinc/60/29/66/1211602966.db2.gz IEQAIJUGDGPQQC-BLLLJJGKSA-N -1 3 372.425 0.704 10 0 FCAEHM COCCCS(=O)(=O)[N-]Cc1nc(Cc2nc(C3CC3)nn2C)no1 ZINC000351375958 1214780638 /nfs/dbraw/zinc/78/06/38/1214780638.db2.gz YDSOVANEFVFDGQ-UHFFFAOYSA-N -1 3 370.435 0.122 10 0 FCAEHM Cn1[n-]c(CNC2(CNC(=O)[C@@H]3C[C@]3(C)c3ccccc3)CC2)nc1=O ZINC001277119261 1225841885 /nfs/dbraw/zinc/84/18/85/1225841885.db2.gz JNNKEJUHBXHEEB-KBXCAEBGSA-N -1 3 355.442 0.825 10 0 FCAEHM COc1cccc(CN2CCC(NC(=O)c3cnc([O-])n(C)c3=O)CC2)c1 ZINC000751568383 1220037822 /nfs/dbraw/zinc/03/78/22/1220037822.db2.gz XGRORXSSGWLUKO-UHFFFAOYSA-N -1 3 372.425 0.889 10 0 FCAEHM COC1(C[C@H](NC(=O)NCCN2CCN(C)C(C)(C)C2)C(=O)[O-])CCC1 ZINC001119578397 1221935644 /nfs/dbraw/zinc/93/56/44/1221935644.db2.gz XRRZROOGMSGUQB-AWEZNQCLSA-N -1 3 370.494 0.724 10 0 FCAEHM CN1CCN(c2nnc(-c3c[n-][nH]c3=O)n2C[C@H]2CCOC2)CC1(C)C ZINC001123172033 1222321775 /nfs/dbraw/zinc/32/17/75/1222321775.db2.gz JDLLQYHEQLBHME-GFCCVEGCSA-N -1 3 361.450 0.941 10 0 FCAEHM O=C(N[C@]1(CCO)CCOC1)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001139232006 1222545323 /nfs/dbraw/zinc/54/53/23/1222545323.db2.gz BQEITAYTTJTILV-QGZVFWFLSA-N -1 3 363.345 0.145 10 0 FCAEHM O=C(N[C@]1(CCO)CCOC1)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001139232006 1222545328 /nfs/dbraw/zinc/54/53/28/1222545328.db2.gz BQEITAYTTJTILV-QGZVFWFLSA-N -1 3 363.345 0.145 10 0 FCAEHM C[C@H](O)[C@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])CCO1 ZINC000840567221 1222794734 /nfs/dbraw/zinc/79/47/34/1222794734.db2.gz RRIQISGHHVHWLU-IINYFYTJSA-N -1 3 363.345 0.096 10 0 FCAEHM C[C@H](O)[C@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)CCO1 ZINC000840567221 1222794738 /nfs/dbraw/zinc/79/47/38/1222794738.db2.gz RRIQISGHHVHWLU-IINYFYTJSA-N -1 3 363.345 0.096 10 0 FCAEHM Cc1cc2n[n-]c(NC(=O)c3cn(C[C@H]4CCOC4)nn3)c2c(=O)n1C ZINC001142821532 1222852292 /nfs/dbraw/zinc/85/22/92/1222852292.db2.gz LAWUCHFUKVNNJQ-SNVBAGLBSA-N -1 3 357.374 0.450 10 0 FCAEHM CCOC(=O)N[C@H](Cc1ccccc1)C(=O)NCCCc1c[n-][nH]c1=O ZINC001149261596 1222881319 /nfs/dbraw/zinc/88/13/19/1222881319.db2.gz AXCMJUNLTPNXIN-HUUCEWRRSA-N -1 3 360.414 0.972 10 0 FCAEHM O=C(OCCN1C(=O)CCC1=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000915426691 1245520470 /nfs/dbraw/zinc/52/04/70/1245520470.db2.gz DZUHTRIMXDEZDW-CYBMUJFWSA-N -1 3 360.366 0.689 10 0 FCAEHM O=C(c1cnc[n-]c1=O)N1CCCN(C(=O)[C@]23CCC[C@H]2OCC3)CC1 ZINC000941421756 1246615840 /nfs/dbraw/zinc/61/58/40/1246615840.db2.gz OLJKJDDFJASVHC-KDOFPFPSSA-N -1 3 360.414 0.816 10 0 FCAEHM C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2nnc(Cl)[n-]2)n1CC1CC1 ZINC001519586422 1265735306 /nfs/dbraw/zinc/73/53/06/1265735306.db2.gz GBPGMXAASYCBLJ-MRVPVSSYSA-N -1 3 350.814 0.794 10 0 FCAEHM C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2n[n-]c(Cl)n2)n1CC1CC1 ZINC001519586422 1265735312 /nfs/dbraw/zinc/73/53/12/1265735312.db2.gz GBPGMXAASYCBLJ-MRVPVSSYSA-N -1 3 350.814 0.794 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2cnc[n-]c2=O)CCN1C(=O)C[C@H](C)COC ZINC001519875859 1265791523 /nfs/dbraw/zinc/79/15/23/1265791523.db2.gz FXHVGXNIRTXTNX-FPMFFAJLSA-N -1 3 350.419 0.964 10 0 FCAEHM O=C(CC1(N2CCOCC2)CCCC1)NC[C@@H](C(=O)[O-])[C@H]1CCOC1 ZINC001520198937 1265876510 /nfs/dbraw/zinc/87/65/10/1265876510.db2.gz FYRUOUOZWZYZPR-LSDHHAIUSA-N -1 3 354.447 0.875 10 0 FCAEHM CCO[C@@H](C)C(=O)N[C@H]1CCN(C(=O)Cc2c(C)nc(C)[n-]c2=O)[C@@H]1C ZINC001520528734 1265929664 /nfs/dbraw/zinc/92/96/64/1265929664.db2.gz BMCGVSUEOQWGEF-XUJVJEKNSA-N -1 3 364.446 0.872 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCC[C@H](NC(=O)[C@@H]3CCCN(C4CC4)C3=O)C2)n1 ZINC001520594231 1265943823 /nfs/dbraw/zinc/94/38/23/1265943823.db2.gz LGZRCDYKKMKZEM-ZFWWWQNUSA-N -1 3 373.457 0.977 10 0 FCAEHM C[C@@H](OCC1CC1)C(=O)NC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001521829632 1266187928 /nfs/dbraw/zinc/18/79/28/1266187928.db2.gz YGEXGUKPRIJZJS-YRGRVCCFSA-N -1 3 362.430 0.822 10 0 FCAEHM CCCCc1nc(NC(=O)CN2CC(=O)N(C)C2=O)c(C(=O)OCC)[n-]1 ZINC001127965960 1259188630 /nfs/dbraw/zinc/18/86/30/1259188630.db2.gz VPQJEFDZYXJMQQ-UHFFFAOYSA-N -1 3 365.390 0.762 10 0 FCAEHM O=C(NCc1ccc2nonc2c1)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001251450909 1259749289 /nfs/dbraw/zinc/74/92/89/1259749289.db2.gz JLMPZUDFQIHVLQ-NSHDSACASA-N -1 3 355.358 0.797 10 0 FCAEHM Cn1nnnc1CCCNC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001251552214 1259752716 /nfs/dbraw/zinc/75/27/16/1259752716.db2.gz IDSXRBCMYHOJOC-UHFFFAOYSA-N -1 3 373.417 0.016 10 0 FCAEHM Cc1cn2c(n1)C[C@H](C(=O)N1CCN(c3nc(C)cc(=O)[n-]3)CC1)CC2 ZINC001331887627 1266300268 /nfs/dbraw/zinc/30/02/68/1266300268.db2.gz YSSZJOVLJKTKGQ-CQSZACIVSA-N -1 3 356.430 0.907 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@H](CO)NC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001337793932 1260486910 /nfs/dbraw/zinc/48/69/10/1260486910.db2.gz PUEQRDHJIVDOEB-JHJVBQTASA-N -1 3 350.419 0.380 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@H](CO)NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001337794862 1260487683 /nfs/dbraw/zinc/48/76/83/1260487683.db2.gz ZXNYUJQAHQVNMX-XJFOESAGSA-N -1 3 360.414 0.300 10 0 FCAEHM COCCN(CCNC(=O)[C@]12C[C@H]1CCC2)C(=O)c1c(C)nc[n-]c1=O ZINC001281324184 1261109825 /nfs/dbraw/zinc/10/98/25/1261109825.db2.gz KWSMOCFIVDMYPF-FZKQIMNGSA-N -1 3 362.430 0.886 10 0 FCAEHM C[C@@H]1CN(C(=O)COCC(F)F)C[C@H]1NC(=O)c1cccc2n[n-]nc21 ZINC001281761905 1261185869 /nfs/dbraw/zinc/18/58/69/1261185869.db2.gz GLTVLOKEFHRIHI-BXKDBHETSA-N -1 3 367.356 0.816 10 0 FCAEHM C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001332389715 1266392428 /nfs/dbraw/zinc/39/24/28/1266392428.db2.gz AIXMDJFDNZSCII-KGLIPLIRSA-N -1 3 369.462 0.221 10 0 FCAEHM C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001332389714 1266393301 /nfs/dbraw/zinc/39/33/01/1266393301.db2.gz AIXMDJFDNZSCII-KBPBESRZSA-N -1 3 369.462 0.221 10 0 FCAEHM CC[C@H](F)C(=O)N[C@@H]1CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C[C@H]1OC ZINC001281849407 1261232558 /nfs/dbraw/zinc/23/25/58/1261232558.db2.gz NGXCRIWGSXPOIH-CYZMBNFOSA-N -1 3 366.393 0.763 10 0 FCAEHM CCCCCC(=O)N[C@@H]1CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C[C@@H]1O ZINC001281866187 1261243202 /nfs/dbraw/zinc/24/32/02/1261243202.db2.gz HXSYLIGLDKOKIG-KGLIPLIRSA-N -1 3 362.430 0.941 10 0 FCAEHM COCCCn1cc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cn[n-]n2)C3)cn1 ZINC001522175504 1266399178 /nfs/dbraw/zinc/39/91/78/1266399178.db2.gz CEMCMAJLYYIVJF-IPYPFGDCSA-N -1 3 373.417 0.213 10 0 FCAEHM CCO[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)[C@@H]2C1)C(C)C ZINC001281969247 1261313921 /nfs/dbraw/zinc/31/39/21/1261313921.db2.gz CLOUNYXBFMFOSW-BPLDGKMQSA-N -1 3 362.430 0.916 10 0 FCAEHM O=C(CO[C@H]1CCOC1)N[C@@H]1CCCC[C@H]1NC(=O)c1cnc[n-]c1=O ZINC001282010319 1261330842 /nfs/dbraw/zinc/33/08/42/1261330842.db2.gz SNUPXPQJCRRQPD-IACUBPJLSA-N -1 3 364.402 0.145 10 0 FCAEHM O=C(CCn1cnnn1)N[C@@H]1CC[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001282098831 1261338108 /nfs/dbraw/zinc/33/81/08/1261338108.db2.gz OFYXDOMQZMOSSB-QWHCGFSZSA-N -1 3 358.402 0.484 10 0 FCAEHM CCO[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CNC(=O)CC1(C)CC1 ZINC001282180064 1261371915 /nfs/dbraw/zinc/37/19/15/1261371915.db2.gz BQSPCLUTTHVDMH-TZMCWYRMSA-N -1 3 362.430 0.966 10 0 FCAEHM O=C(CC1CC1)NCc1nc(CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)cc(=O)[n-]1 ZINC001282228662 1261386964 /nfs/dbraw/zinc/38/69/64/1261386964.db2.gz HFFPZULZGIOGJX-CHWSQXEVSA-N -1 3 370.413 0.742 10 0 FCAEHM NC(=O)COc1ccccc1C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001472253635 1261455843 /nfs/dbraw/zinc/45/58/43/1261455843.db2.gz SUBUXGMZZALJMJ-NSHDSACASA-N -1 3 357.370 0.055 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)[C@H]1CC(c2ccccn2)=NO1 ZINC001472254449 1261455995 /nfs/dbraw/zinc/45/59/95/1261455995.db2.gz SGZYXMBPNIGEPK-SMDDNHRTSA-N -1 3 354.370 0.465 10 0 FCAEHM C[C@]12CN(C(=O)C(=O)NCC3CC3)C[C@H]1CN(C(=O)c1ccccc1[O-])C2 ZINC001282449771 1261460005 /nfs/dbraw/zinc/46/00/05/1261460005.db2.gz CUTKDRDPNSCHCV-VLIAUNLRSA-N -1 3 371.437 0.839 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)C[C@H](C)NC(=O)OC(C)(C)C)[n-]1 ZINC001472545422 1261474144 /nfs/dbraw/zinc/47/41/44/1261474144.db2.gz KYDRRXZIWWBMBM-VIFPVBQESA-N -1 3 355.395 0.901 10 0 FCAEHM O=C(CNC(=O)c1ccc([O-])cc1)NCc1ccnc(-n2cncn2)c1 ZINC001472609835 1261479255 /nfs/dbraw/zinc/47/92/55/1261479255.db2.gz QQUZWEZOJZQJGU-UHFFFAOYSA-N -1 3 352.354 0.414 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)NCC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001472614977 1261479355 /nfs/dbraw/zinc/47/93/55/1261479355.db2.gz JNWCGEPUPFEAIF-YHWZYXNKSA-N -1 3 353.444 0.895 10 0 FCAEHM COc1ccc(Cl)cc1CNC(=O)CN1CC[C@H](c2nnn[n-]2)C1 ZINC001473751421 1261494584 /nfs/dbraw/zinc/49/45/84/1261494584.db2.gz UZUWQZBVLXLOQZ-JTQLQIEISA-N -1 3 350.810 0.967 10 0 FCAEHM COc1ccc(Cl)cc1CNC(=O)CN1CC[C@H](c2nn[n-]n2)C1 ZINC001473751421 1261494587 /nfs/dbraw/zinc/49/45/87/1261494587.db2.gz UZUWQZBVLXLOQZ-JTQLQIEISA-N -1 3 350.810 0.967 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C[C@H](O)CN(C)CC(F)(F)F)CC2)n1 ZINC001473802913 1261499176 /nfs/dbraw/zinc/49/91/76/1261499176.db2.gz RMAHKHPJUPMMFL-GFCCVEGCSA-N -1 3 363.384 0.468 10 0 FCAEHM COCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCc1c(C)nc[n-]c1=O ZINC001522222325 1266424144 /nfs/dbraw/zinc/42/41/44/1266424144.db2.gz BPDFHWKSKHKFSF-YUELXQCFSA-N -1 3 362.430 0.708 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)CCc2ccnn2C)CCN1C(=O)c1cnc[n-]c1=O ZINC001345402064 1261696643 /nfs/dbraw/zinc/69/66/43/1261696643.db2.gz TUUGMFBVBIHYSM-RISCZKNCSA-N -1 3 358.402 0.268 10 0 FCAEHM C[C@@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001284339961 1261750810 /nfs/dbraw/zinc/75/08/10/1261750810.db2.gz PYTBNPZGFOZNOR-PVRXDPTQSA-N -1 3 371.393 0.372 10 0 FCAEHM CCN(CCNC(=O)c1c(C)nc[n-]c1=O)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001284638764 1261774099 /nfs/dbraw/zinc/77/40/99/1261774099.db2.gz CGVPBMIYQQJZFV-JYKNGBAOSA-N -1 3 360.414 0.492 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC/C=C/CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001285600054 1261858369 /nfs/dbraw/zinc/85/83/69/1261858369.db2.gz PGDXPAMBSSUPOO-OGDSNJDBSA-N -1 3 358.398 0.316 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC/C=C\CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001285600053 1261858881 /nfs/dbraw/zinc/85/88/81/1261858881.db2.gz PGDXPAMBSSUPOO-GYQSZEPVSA-N -1 3 358.398 0.316 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCOC2)C1 ZINC001289272397 1262159314 /nfs/dbraw/zinc/15/93/14/1262159314.db2.gz NWENZABNRBVDSY-KWCYVHTRSA-N -1 3 362.430 0.884 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](NC(=O)C(C)(C)CC(C)C)[C@@H](O)C1 ZINC001289737742 1262328611 /nfs/dbraw/zinc/32/86/11/1262328611.db2.gz LSYWHXGDLZDDHB-OLZOCXBDSA-N -1 3 364.446 0.864 10 0 FCAEHM Cc1n[nH]c(C(=O)N[C@@H]2CC[C@H](CNC(=O)CN3CC[C@@H](C)C3)C2)c1[O-] ZINC001290220231 1262402896 /nfs/dbraw/zinc/40/28/96/1262402896.db2.gz WMWWSWJYECGLKD-KWCYVHTRSA-N -1 3 363.462 0.780 10 0 FCAEHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)c1cnc[n-]c1=O ZINC001290321434 1262427033 /nfs/dbraw/zinc/42/70/33/1262427033.db2.gz GHPDIMSBVNSSNU-WZRBSPASSA-N -1 3 363.418 0.064 10 0 FCAEHM CN(CCOCCN(C)C(=O)[C@]12C[C@H]1COC2)C(=O)c1ccccc1[O-] ZINC001290550292 1262468723 /nfs/dbraw/zinc/46/87/23/1262468723.db2.gz FOJGWLUETUHQKA-LIRRHRJNSA-N -1 3 362.426 0.976 10 0 FCAEHM C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1CCNC(=O)c1ccccc1[O-] ZINC001291570114 1262559324 /nfs/dbraw/zinc/55/93/24/1262559324.db2.gz SKFVTYMUSBDFJV-CHWSQXEVSA-N -1 3 359.426 0.872 10 0 FCAEHM Cn1nc2c(c1C(=O)Nc1n[n-]c(-c3ccccn3)n1)CS(=O)(=O)CC2 ZINC001291918700 1262612307 /nfs/dbraw/zinc/61/23/07/1262612307.db2.gz HCPQOTCHTCETSV-UHFFFAOYSA-N -1 3 373.398 0.323 10 0 FCAEHM O=C(COCC(F)F)N[C@]12CCC[C@H]1CN(C(=O)c1cnc[n-]c1=O)C2 ZINC001292290642 1262681038 /nfs/dbraw/zinc/68/10/38/1262681038.db2.gz RLAOTMAJXOEHEJ-QFYYESIMSA-N -1 3 370.356 0.575 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)[C@H]2CC[C@H](Nc3ncccn3)CC2)n[n-]1 ZINC001293873549 1262722943 /nfs/dbraw/zinc/72/29/43/1262722943.db2.gz HKQYNIWKNGGMNB-XYPYZODXSA-N -1 3 359.390 0.920 10 0 FCAEHM O=C(NCCNC(=O)c1ccc2c(c1)C(=O)NCCO2)c1ccc([O-])cc1 ZINC001294908078 1262750282 /nfs/dbraw/zinc/75/02/82/1262750282.db2.gz AAMRETJMEAQYKJ-UHFFFAOYSA-N -1 3 369.377 0.674 10 0 FCAEHM O=C(NCCNC(=O)c1cncc(N2CCCC2)n1)c1ccc([O-])cc1 ZINC001294908566 1262750416 /nfs/dbraw/zinc/75/04/16/1262750416.db2.gz HBWGLKCSEYBBPH-UHFFFAOYSA-N -1 3 355.398 0.942 10 0 FCAEHM CCN(C(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])[C@H]1CCNC1=O ZINC001296985976 1262845776 /nfs/dbraw/zinc/84/57/76/1262845776.db2.gz AMMXVAUQTROSQF-LBPRGKRZSA-N -1 3 360.345 0.225 10 0 FCAEHM CCN(C(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O)[C@H]1CCNC1=O ZINC001296985976 1262845782 /nfs/dbraw/zinc/84/57/82/1262845782.db2.gz AMMXVAUQTROSQF-LBPRGKRZSA-N -1 3 360.345 0.225 10 0 FCAEHM CC[C@H](CNC(=O)c1cc(=O)[n-]c(C2CC2)n1)NC(=O)[C@]12C[C@H]1COC2 ZINC001297427573 1262866042 /nfs/dbraw/zinc/86/60/42/1262866042.db2.gz JEEYCGFPPBJDEW-IUUKEHGRSA-N -1 3 360.414 0.721 10 0 FCAEHM CN(CCN(C)C(=O)[C@@H]1C[C@H]1c1cccnc1)C(=O)c1cnc[n-]c1=O ZINC001298085506 1262909796 /nfs/dbraw/zinc/90/97/96/1262909796.db2.gz RDGUKDZTDZCXSM-UONOGXRCSA-N -1 3 355.398 0.911 10 0 FCAEHM CN(C(=O)c1ccc(-c2nnn[n-]2)cn1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001298727472 1262939806 /nfs/dbraw/zinc/93/98/06/1262939806.db2.gz QWSDVORJVHJMPA-UHFFFAOYSA-N -1 3 359.390 0.953 10 0 FCAEHM CN(C(=O)c1ccc(-c2nn[n-]n2)cn1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001298727472 1262939815 /nfs/dbraw/zinc/93/98/15/1262939815.db2.gz QWSDVORJVHJMPA-UHFFFAOYSA-N -1 3 359.390 0.953 10 0 FCAEHM O=C(c1cnncc1[O-])N1CCC(c2nccc(N3CCOCC3)n2)CC1 ZINC001301561652 1263011260 /nfs/dbraw/zinc/01/12/60/1263011260.db2.gz QANLAXVXVOMVID-UHFFFAOYSA-N -1 3 370.413 0.829 10 0 FCAEHM O=C(CCn1cc[n-]c(=O)c1=O)N1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC001302294063 1263038885 /nfs/dbraw/zinc/03/88/85/1263038885.db2.gz OVECKORJXQRKLI-QGZVFWFLSA-N -1 3 365.393 0.824 10 0 FCAEHM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N[C@@H]1CCN(c2ccccn2)C1 ZINC001478243261 1263122931 /nfs/dbraw/zinc/12/29/31/1263122931.db2.gz NAQWRSBQFNBAAK-GFCCVEGCSA-N -1 3 370.413 0.728 10 0 FCAEHM Cc1ccccc1C[C@@H](CO)NC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001479509496 1263235633 /nfs/dbraw/zinc/23/56/33/1263235633.db2.gz SKFLUJKNBMSBHP-HOTGVXAUSA-N -1 3 371.441 0.972 10 0 FCAEHM C[C@@H]1CCCN(C(=O)Cn2cccn2)[C@@H]1CCCNCc1n[nH]c(=O)[n-]1 ZINC001479586587 1263265742 /nfs/dbraw/zinc/26/57/42/1263265742.db2.gz YYUYLZBCTCZAAP-ZIAGYGMSSA-N -1 3 361.450 0.904 10 0 FCAEHM CC[C@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)NCc1cc(=O)n2[n-]ccc2n1 ZINC001481853109 1263441880 /nfs/dbraw/zinc/44/18/80/1263441880.db2.gz JZLZXVNUAMNBOX-NGFQHRJXSA-N -1 3 359.430 0.575 10 0 FCAEHM O=C(C[C@@H]1C[C@H]1C1CC1)NCCN1CCC(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001484420379 1263470426 /nfs/dbraw/zinc/47/04/26/1263470426.db2.gz ZFDIDFVPCZAPBD-ZFWWWQNUSA-N -1 3 362.478 0.617 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)CCN1Cc1ccccn1 ZINC001316796416 1263486136 /nfs/dbraw/zinc/48/61/36/1263486136.db2.gz RRIMOGJGWGOWAV-HIFRSBDPSA-N -1 3 357.414 0.101 10 0 FCAEHM O=C(NC1(CCO)CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)c1ccccc1[O-] ZINC001487021109 1263572408 /nfs/dbraw/zinc/57/24/08/1263572408.db2.gz QTRCHDGWDKMTRI-VUBIOHBQSA-N -1 3 372.421 0.509 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001494976135 1263793842 /nfs/dbraw/zinc/79/38/42/1263793842.db2.gz RPNDPWWWYYDAJM-JIMOISOXSA-N -1 3 358.402 0.262 10 0 FCAEHM C[C@@H]1COCC[C@H]1C(=O)NCC(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC001320954284 1263886388 /nfs/dbraw/zinc/88/63/88/1263886388.db2.gz WUCCYXARWDBVDK-NXEZZACHSA-N -1 3 360.370 0.768 10 0 FCAEHM O=C(NC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CCCC1)c1cnc[n-]c1=O ZINC001499499107 1264031174 /nfs/dbraw/zinc/03/11/74/1264031174.db2.gz JEEKYWBMCHADHN-VXGBXAGGSA-N -1 3 370.413 0.868 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@H](NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(C)C ZINC001500923010 1264097074 /nfs/dbraw/zinc/09/70/74/1264097074.db2.gz QGADGCPBXQTQLZ-IZBGITOTSA-N -1 3 374.441 0.785 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@H](O)CNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001501538549 1264129807 /nfs/dbraw/zinc/12/98/07/1264129807.db2.gz BXAJSEMOSRXATG-YNEHKIRRSA-N -1 3 364.446 0.770 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@H](C)CN(C)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001510701487 1264509932 /nfs/dbraw/zinc/50/99/32/1264509932.db2.gz XKCYDHSLGQHLIV-YVLXSGLVSA-N -1 3 362.430 0.882 10 0 FCAEHM O=C(NC[C@H](CO)NC(=O)[C@@H]1C[C@H]1c1ccsc1)c1cnc[n-]c1=O ZINC001510987966 1264528247 /nfs/dbraw/zinc/52/82/47/1264528247.db2.gz UNHMRGPPLISUFZ-GRYCIOLGSA-N -1 3 362.411 0.254 10 0 FCAEHM CN(C[C@@H](O)CNC(=O)c1ccccc1[O-])C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001511566081 1264558842 /nfs/dbraw/zinc/55/88/42/1264558842.db2.gz VGVCZAQZQKBAES-IACUBPJLSA-N -1 3 358.398 0.468 10 0 FCAEHM CCC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1OC ZINC001513383603 1265079164 /nfs/dbraw/zinc/07/91/64/1265079164.db2.gz BIYUDPAZRKERAF-NJZAAPMLSA-N -1 3 363.414 0.263 10 0 FCAEHM CC/C=C(/C)C(=O)N[C@@H]1CN(C(=O)c2nnc3ccccc3c2[O-])C[C@@H]1O ZINC001513460949 1265133362 /nfs/dbraw/zinc/13/33/62/1265133362.db2.gz CCOJRFRLPKNOMN-ALLMMHQKSA-N -1 3 370.409 0.993 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O ZINC001327426869 1265317007 /nfs/dbraw/zinc/31/70/07/1265317007.db2.gz JVOMPUQEXMGMHM-SYMLIENRSA-N -1 3 372.450 0.805 10 0 FCAEHM CCO[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc[n-]c1=O)C2)C1CC1 ZINC001522293071 1266473584 /nfs/dbraw/zinc/47/35/84/1266473584.db2.gz JJIUSMHASLIZFU-RZFFKMDDSA-N -1 3 360.414 0.859 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@H]1CCN(C(=O)[C@]23C[C@H]2COC3)C1 ZINC001524680262 1266721906 /nfs/dbraw/zinc/72/19/06/1266721906.db2.gz MIZRZZQRIJVLFN-LXIYXOSZSA-N -1 3 360.414 0.177 10 0 FCAEHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCc1ccc2c(c1)OC(F)(F)O2 ZINC001527170362 1266872823 /nfs/dbraw/zinc/87/28/23/1266872823.db2.gz DJXBKJVMTHHZLO-UHFFFAOYSA-N -1 3 354.269 0.764 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]Cc1noc2c1COCC2)C1CCOCC1 ZINC001334318900 1266945202 /nfs/dbraw/zinc/94/52/02/1266945202.db2.gz FWFNCYPIIGVVOS-HNNXBMFYSA-N -1 3 360.432 0.608 10 0 FCAEHM CC1(C)CC(NC(=O)C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC001334348183 1266959411 /nfs/dbraw/zinc/95/94/11/1266959411.db2.gz KPRINHXXWBCVAD-UHFFFAOYSA-N -1 3 359.426 0.981 10 0 FCAEHM O=C(Cn1cc(C(F)(F)F)ccc1=O)N1CCC(Cc2nnn[n-]2)CC1 ZINC001528800038 1266996579 /nfs/dbraw/zinc/99/65/79/1266996579.db2.gz SDYTZIHSHUKYNF-UHFFFAOYSA-N -1 3 370.335 0.862 10 0 FCAEHM O=C(Cn1cc(C(F)(F)F)ccc1=O)N1CCC(Cc2nn[n-]n2)CC1 ZINC001528800038 1266996588 /nfs/dbraw/zinc/99/65/88/1266996588.db2.gz SDYTZIHSHUKYNF-UHFFFAOYSA-N -1 3 370.335 0.862 10 0 FCAEHM CO[C@@H]1CN(C(=O)NC[C@H]2CCN2C2CCOCC2)[C@@](C)(C(=O)[O-])C1 ZINC001334450110 1267008051 /nfs/dbraw/zinc/00/80/51/1267008051.db2.gz XJTKTMCVLSOYRD-JKIFEVAISA-N -1 3 355.435 0.513 10 0 FCAEHM O=C(c1c[n-]c2ccccc2c1=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001529827095 1267080117 /nfs/dbraw/zinc/08/01/17/1267080117.db2.gz AIQPXQCMFIABAA-QGZVFWFLSA-N -1 3 362.407 0.558 10 0 FCAEHM CCOC(=O)c1cccc2[n-]c(NC(=O)CN(C)S(C)(=O)=O)nc21 ZINC001537572742 1267375616 /nfs/dbraw/zinc/37/56/16/1267375616.db2.gz RFUHFBJOUSZQOK-UHFFFAOYSA-N -1 3 354.388 0.570 10 0 FCAEHM CC(C)(C)C(=O)NCC(=O)OCCC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC001538334656 1267401749 /nfs/dbraw/zinc/40/17/49/1267401749.db2.gz UZXGZISSHSBAIF-UHFFFAOYSA-N -1 3 365.312 0.858 10 0 FCAEHM CC(C)(C)C(=O)NCC(=O)OCCC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC001538334656 1267401757 /nfs/dbraw/zinc/40/17/57/1267401757.db2.gz UZXGZISSHSBAIF-UHFFFAOYSA-N -1 3 365.312 0.858 10 0 FCAEHM CS(=O)(=O)NCCCNC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001540679389 1267458141 /nfs/dbraw/zinc/45/81/41/1267458141.db2.gz WPKGIIDRQQSKFT-UHFFFAOYSA-N -1 3 357.819 0.851 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)Cc1csc(S[C@@H](C)C(N)=O)n1 ZINC001542942070 1267513906 /nfs/dbraw/zinc/51/39/06/1267513906.db2.gz OXKQOELLPYLWQG-WPRPVWTQSA-N -1 3 369.472 0.280 10 0 FCAEHM CCNS(=O)(=O)c1ccc(F)c(C(=O)NCCc2c(C)[n-][nH]c2=O)c1 ZINC001542940535 1267513943 /nfs/dbraw/zinc/51/39/43/1267513943.db2.gz WLWCSRDFGQEXQT-LLVKDONJSA-N -1 3 370.406 0.366 10 0 FCAEHM CCN1CC[C@H]1CNC(=O)C(=O)NCc1ccc([O-])c(Br)c1 ZINC001338699681 1268049168 /nfs/dbraw/zinc/04/91/68/1268049168.db2.gz SOHGCWYLCJOHHO-NSHDSACASA-N -1 3 370.247 0.981 10 0 FCAEHM Cn1nc2c(c1C(=O)Nc1[nH][n-]c3cc(=O)ccc1-3)CS(=O)(=O)CC2 ZINC001556722756 1268885882 /nfs/dbraw/zinc/88/58/82/1268885882.db2.gz BSOGJSUXZGFABV-UHFFFAOYSA-N -1 3 361.383 0.725 10 0 FCAEHM CC(C)(C)OC(=O)NC1(CC(=O)NCc2cc(=O)[n-]c(=S)[nH]2)COC1 ZINC001557318976 1268942196 /nfs/dbraw/zinc/94/21/96/1268942196.db2.gz PKFGEFVWZQQDFM-UHFFFAOYSA-N -1 3 370.431 0.771 10 0 FCAEHM CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001557322096 1268943512 /nfs/dbraw/zinc/94/35/12/1268943512.db2.gz VSCMZXFTIABFGI-VIFPVBQESA-N -1 3 358.420 0.363 10 0 FCAEHM COC(=O)[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)[C@@H]1CCC[C@H](OC)C1 ZINC001557327701 1268943871 /nfs/dbraw/zinc/94/38/71/1268943871.db2.gz FNLUYXNEAQEPHT-SCDSUCTJSA-N -1 3 374.401 0.738 10 0 FCAEHM COC(=O)[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)[C@@H]1CCC[C@H](OC)C1 ZINC001557327701 1268943880 /nfs/dbraw/zinc/94/38/80/1268943880.db2.gz FNLUYXNEAQEPHT-SCDSUCTJSA-N -1 3 374.401 0.738 10 0 FCAEHM COC(=O)[C@@H](CCC1OCCO1)NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC001558044963 1269010760 /nfs/dbraw/zinc/01/07/60/1269010760.db2.gz YRSODAWKAOBXJY-GFCCVEGCSA-N -1 3 353.375 0.152 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@]1(C)CCNC1=O ZINC001558546527 1269109175 /nfs/dbraw/zinc/10/91/75/1269109175.db2.gz JOMXNRVOQWXJCO-SFHVURJKSA-N -1 3 355.398 0.468 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2C3CCC2(C(N)=O)CC3)ccc1F ZINC001558627208 1269124856 /nfs/dbraw/zinc/12/48/56/1269124856.db2.gz RMBSTXMBQCHYEW-UHFFFAOYSA-N -1 3 355.391 0.356 10 0 FCAEHM CS(=O)(=O)C[C@@H](O)CNC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001558637591 1269125939 /nfs/dbraw/zinc/12/59/39/1269125939.db2.gz UXSNZSBZLLHBPK-QMMMGPOBSA-N -1 3 358.803 0.317 10 0 FCAEHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC3(C2)CC(=O)Nc2nccn23)c1 ZINC001558684471 1269131226 /nfs/dbraw/zinc/13/12/26/1269131226.db2.gz JOHUQYCPBGLWOL-UHFFFAOYSA-N -1 3 355.354 0.741 10 0 FCAEHM Cn1c2[nH]c(CCC(=O)[N-]OCCOc3ccccc3)nc2c(=O)[nH]c1=O ZINC001558777861 1269138823 /nfs/dbraw/zinc/13/88/23/1269138823.db2.gz LCBALBUFRMXAIN-UHFFFAOYSA-N -1 3 373.369 0.422 10 0 FCAEHM CCCC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001341720789 1269170909 /nfs/dbraw/zinc/17/09/09/1269170909.db2.gz VMCFYDUUMKPEHJ-VXGBXAGGSA-N -1 3 350.419 0.618 10 0 FCAEHM C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001560115892 1269187857 /nfs/dbraw/zinc/18/78/57/1269187857.db2.gz LWEKSFCOHIIFRR-ZYHUDNBSSA-N -1 3 359.430 0.488 10 0 FCAEHM O=C1CCCN1C[C@H](O)C[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC001341920374 1269266125 /nfs/dbraw/zinc/26/61/25/1269266125.db2.gz UJLTZZGIGKMCPE-SECBINFHSA-N -1 3 367.349 0.362 10 0 FCAEHM O=C(NCc1cc2c([nH]c1=O)CCC2)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001565095522 1269451998 /nfs/dbraw/zinc/45/19/98/1269451998.db2.gz KKPNLJCOUGYJLT-CYBMUJFWSA-N -1 3 370.413 0.850 10 0 FCAEHM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001566461545 1269645491 /nfs/dbraw/zinc/64/54/91/1269645491.db2.gz ALALWCRYEDGFKN-OLZOCXBDSA-N -1 3 374.372 0.518 10 0 FCAEHM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001566461545 1269645497 /nfs/dbraw/zinc/64/54/97/1269645497.db2.gz ALALWCRYEDGFKN-OLZOCXBDSA-N -1 3 374.372 0.518 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)NCCC[C@H]1CCCN1Cc1nc(=O)n(C)[n-]1 ZINC001567254782 1269684802 /nfs/dbraw/zinc/68/48/02/1269684802.db2.gz MFTKBSIIYFLAAH-YCPHGPKFSA-N -1 3 365.478 0.784 10 0 FCAEHM CC(C)C[C@@H](C)C(=O)N1C[C@@H](NC(=O)c2cccc3n[n-]nc32)[C@@H](O)C1 ZINC001343401219 1269897958 /nfs/dbraw/zinc/89/79/58/1269897958.db2.gz JEJYGLVYUZGIKH-DFBGVHRSSA-N -1 3 359.430 0.942 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)NC[C@H](C1CC1)N(C)C(=O)c1cnc[n-]c1=O ZINC001572220683 1270013042 /nfs/dbraw/zinc/01/30/42/1270013042.db2.gz SZPJIXSUAUQAHO-DFBGVHRSSA-N -1 3 362.430 0.964 10 0 FCAEHM O=C(NC[C@H](CO)NC(=O)[C@]12C[C@H]1CCC2)c1nnc2ccccc2c1[O-] ZINC001572358313 1270055211 /nfs/dbraw/zinc/05/52/11/1270055211.db2.gz VRIJUABNIKOFJB-HNYWDRBLSA-N -1 3 370.409 0.733 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NCc1nc(CNC(=O)[C@@]2(F)CCOC2)cc(=O)[n-]1 ZINC001344650556 1270217654 /nfs/dbraw/zinc/21/76/54/1270217654.db2.gz PJTNHJWDTOPDDZ-ILMHXZGMSA-N -1 3 366.393 0.589 10 0 FCAEHM CC[C@@H](SC)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1OC ZINC001572945589 1270380703 /nfs/dbraw/zinc/38/07/03/1270380703.db2.gz SINUWVGPENIHMU-IJLUTSLNSA-N -1 3 354.432 0.279 10 0 FCAEHM CSC[C@H](C)C(=O)N1CC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)[C@@H]2C1 ZINC001573056822 1270576832 /nfs/dbraw/zinc/57/68/32/1270576832.db2.gz LJSOVCBSIYIDTA-DMDPSCGWSA-N -1 3 350.444 0.854 10 0 FCAEHM CNC(=O)C1(C(=O)N2C[C@H]3CCN(C(=O)c4ccccc4[O-])C[C@H]32)CC1 ZINC001573058301 1270578049 /nfs/dbraw/zinc/57/80/49/1270578049.db2.gz FTUFJCONDPHMQP-TZMCWYRMSA-N -1 3 357.410 0.591 10 0 FCAEHM CC[C@H](C)OCC(=O)N1CC[C@@H]2CN(C(=O)c3c(C)nc[n-]c3=O)[C@@H]2C1 ZINC001573064865 1270585891 /nfs/dbraw/zinc/58/58/91/1270585891.db2.gz NGOCJXBTOYTQOH-IACUBPJLSA-N -1 3 362.430 0.979 10 0 FCAEHM O=C(CCc1ccon1)N[C@@H]1CCCC[C@H]1NC(=O)c1cnc[n-]c1=O ZINC001573089963 1270607208 /nfs/dbraw/zinc/60/72/08/1270607208.db2.gz PTPITGSUERPSAP-ZIAGYGMSSA-N -1 3 359.386 0.960 10 0 FCAEHM C[C@@H](C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cnc[n-]c2=O)C1)n1cncn1 ZINC001573168961 1270628688 /nfs/dbraw/zinc/62/86/88/1270628688.db2.gz PEIVGGVCVOKFTI-SDDRHHMPSA-N -1 3 359.390 0.050 10 0 FCAEHM CCO[C@@H]1CN(C(=O)CNC(C)=O)C[C@H]1CNC(=O)c1ccccc1[O-] ZINC001573209492 1270667517 /nfs/dbraw/zinc/66/75/17/1270667517.db2.gz RMLJMHFXBSAKDV-CZUORRHYSA-N -1 3 363.414 0.122 10 0 FCAEHM CC[C@H](C)C(=O)NCC(=O)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@H]1CC ZINC001573275940 1270732122 /nfs/dbraw/zinc/73/21/22/1270732122.db2.gz OYOXFIPYRJYQRT-GMXVVIOVSA-N -1 3 350.423 0.076 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2ccn[nH]2)C1 ZINC001573944646 1270950289 /nfs/dbraw/zinc/95/02/89/1270950289.db2.gz NCDJOZRTRCDJDK-ZYHUDNBSSA-N -1 3 358.402 0.742 10 0 FCAEHM CCOCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O ZINC001574272738 1271147438 /nfs/dbraw/zinc/14/74/38/1271147438.db2.gz YOFKQPWPHSSXPA-XBFCOCLRSA-N -1 3 364.402 0.097 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccc(Cn2ccnn2)cc1 ZINC001603292550 1287347798 /nfs/dbraw/zinc/34/77/98/1287347798.db2.gz RCVCCYSZPFPMHV-OAHLLOKOSA-N -1 3 365.397 0.831 10 0 FCAEHM C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001583359107 1282082671 /nfs/dbraw/zinc/08/26/71/1282082671.db2.gz XUYRLSSHGJTZKX-ITDIGPHOSA-N -1 3 350.419 0.487 10 0 FCAEHM COc1cc(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)ccc1OCC(N)=O ZINC001631839631 1282121882 /nfs/dbraw/zinc/12/18/82/1282121882.db2.gz VYYQWZQMUBFCBH-UHFFFAOYSA-N -1 3 364.383 0.274 10 0 FCAEHM COC(=O)[C@@H](CCC1OCCO1)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001632767973 1282205702 /nfs/dbraw/zinc/20/57/02/1282205702.db2.gz ZOHBDGFIIVPVKT-SNVBAGLBSA-N -1 3 351.359 0.484 10 0 FCAEHM C[C@@H](C[S@@](C)=O)NC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001632783399 1282207616 /nfs/dbraw/zinc/20/76/16/1282207616.db2.gz JDUGEWBAGUKSDX-UZKFNYRNSA-N -1 3 353.375 0.371 10 0 FCAEHM C[C@@H](C[S@@](C)=O)NC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001632783399 1282207621 /nfs/dbraw/zinc/20/76/21/1282207621.db2.gz JDUGEWBAGUKSDX-UZKFNYRNSA-N -1 3 353.375 0.371 10 0 FCAEHM CCN1CCN(CCNC(=O)c2ncc(Br)cc2[O-])CC1 ZINC001585212134 1282214814 /nfs/dbraw/zinc/21/48/14/1282214814.db2.gz VIRWWOXZXAUABN-UHFFFAOYSA-N -1 3 357.252 0.917 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)NC)c1 ZINC001633528969 1282252154 /nfs/dbraw/zinc/25/21/54/1282252154.db2.gz LZINCAJYCKNNSO-ZDUSSCGKSA-N -1 3 357.370 0.327 10 0 FCAEHM CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)NCCCc1c[n-][nH]c1=O ZINC001585938528 1282258228 /nfs/dbraw/zinc/25/82/28/1282258228.db2.gz YJSIUGBVCBIFSX-VXGBXAGGSA-N -1 3 356.423 0.544 10 0 FCAEHM CS(=O)(=O)C[C@H](C(=O)NCCCc1c[n-][nH]c1=O)c1ccccc1 ZINC001585938580 1282258387 /nfs/dbraw/zinc/25/83/87/1282258387.db2.gz ZYQHCVKEHOMWEH-KBPBESRZSA-N -1 3 351.428 0.443 10 0 FCAEHM NS(=O)(=O)c1ccc(SCC(=O)NCCCc2c[n-][nH]c2=O)cc1 ZINC001585937896 1282258952 /nfs/dbraw/zinc/25/89/52/1282258952.db2.gz QCWUTRBDXRXYDQ-SNVBAGLBSA-N -1 3 370.456 0.054 10 0 FCAEHM C[C@]1(CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CCN(C(=O)c2cnc[n-]c2=O)C1 ZINC001586008709 1282266928 /nfs/dbraw/zinc/26/69/28/1282266928.db2.gz MAVUEILVSPCDLV-CTQRGLTFSA-N -1 3 374.441 0.966 10 0 FCAEHM CSCC[C@@H](NC(=O)c1ccco1)C(=O)NCCCc1c[n-][nH]c1=O ZINC001634138735 1282303672 /nfs/dbraw/zinc/30/36/72/1282303672.db2.gz MALRVBZHJSSKRH-NWDGAFQWSA-N -1 3 366.443 0.759 10 0 FCAEHM O=C(N[C@@H]1Cc2cccc(O)c2C1)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001634243605 1282313009 /nfs/dbraw/zinc/31/30/09/1282313009.db2.gz KUZDEVGRRTVJBA-QWHCGFSZSA-N -1 3 355.398 0.933 10 0 FCAEHM CCc1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)OC)c([O-])c1 ZINC001587010901 1282324923 /nfs/dbraw/zinc/32/49/23/1282324923.db2.gz LDCFXJIGMPAZNU-GFCCVEGCSA-N -1 3 355.412 0.757 10 0 FCAEHM O=C(c1cn(CCO)nc1C1CCOCC1)N1CCc2nc[n-]c(=O)c2C1 ZINC001634396926 1282325647 /nfs/dbraw/zinc/32/56/47/1282325647.db2.gz LJIFRBDAAACLGY-UHFFFAOYSA-N -1 3 373.413 0.464 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2CS(=O)(=O)NC)c1 ZINC001634691054 1282347388 /nfs/dbraw/zinc/34/73/88/1282347388.db2.gz QGKOYJXCSWGVFY-GFCCVEGCSA-N -1 3 367.427 0.671 10 0 FCAEHM CCOC(=O)[C@@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)[C@H](O)c1ccncc1 ZINC001634776623 1282355497 /nfs/dbraw/zinc/35/54/97/1282355497.db2.gz MEOVZOMUWBATIF-LSDHHAIUSA-N -1 3 372.381 0.850 10 0 FCAEHM CN(C[C@H](O)CN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(=O)c1ccccc1[O-] ZINC001718778534 1287573484 /nfs/dbraw/zinc/57/34/84/1287573484.db2.gz BIWIPKDZDCHWQW-OTGJZODBSA-N -1 3 374.437 0.707 10 0 FCAEHM Cc1nc(SCCC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)n[nH]1 ZINC001636322356 1282487216 /nfs/dbraw/zinc/48/72/16/1282487216.db2.gz PUEUODASGGERQH-UHFFFAOYSA-N -1 3 350.404 0.480 10 0 FCAEHM Cn1nncc1C1(O)CN(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)C1 ZINC001636584888 1282520044 /nfs/dbraw/zinc/52/00/44/1282520044.db2.gz BIXBPBYVCJYDNX-UHFFFAOYSA-N -1 3 359.773 0.654 10 0 FCAEHM Cn1nc(-c2cccnc2)cc1C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001636854488 1282542480 /nfs/dbraw/zinc/54/24/80/1282542480.db2.gz CAHAIOXTVKZKJI-CYBMUJFWSA-N -1 3 365.397 0.986 10 0 FCAEHM O=C(CCC1CCCC1)NCC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001636854539 1282543018 /nfs/dbraw/zinc/54/30/18/1282543018.db2.gz CDRBPGLFZTWGIV-CQSZACIVSA-N -1 3 361.446 0.964 10 0 FCAEHM Cc1csc2ncc(C(=O)N[C@H]3CCN(c4cc(=O)[n-]cn4)C3)c(=O)n12 ZINC001636855730 1282543378 /nfs/dbraw/zinc/54/33/78/1282543378.db2.gz QTWVMXXFXRHBEQ-JTQLQIEISA-N -1 3 372.410 0.569 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC3(C2)OCCO3)ccc1F ZINC001637394595 1282592147 /nfs/dbraw/zinc/59/21/47/1282592147.db2.gz CERXTYHOOSSMEV-LLVKDONJSA-N -1 3 358.391 0.759 10 0 FCAEHM Cn1cc([C@H]2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)cn3)CCO2)cn1 ZINC001637689716 1282613712 /nfs/dbraw/zinc/61/37/12/1282613712.db2.gz WMNLFQOHNAOIQD-GXTWGEPZSA-N -1 3 354.374 0.645 10 0 FCAEHM Cn1cc([C@H]2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)cn3)CCO2)cn1 ZINC001637689716 1282613721 /nfs/dbraw/zinc/61/37/21/1282613721.db2.gz WMNLFQOHNAOIQD-GXTWGEPZSA-N -1 3 354.374 0.645 10 0 FCAEHM C[C@@H](CC(=O)NC[C@@H]1CNC(=O)C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC001639187176 1282757073 /nfs/dbraw/zinc/75/70/73/1282757073.db2.gz PJFOFESAJGOMTQ-VHSXEESVSA-N -1 3 374.850 0.044 10 0 FCAEHM O=C(N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)c1cnn(C[C@@H](O)CO)c1 ZINC001640270234 1282848806 /nfs/dbraw/zinc/84/88/06/1282848806.db2.gz VXAQRKOHILDVAX-MRVWCRGKSA-N -1 3 361.402 0.188 10 0 FCAEHM CCC1(CC)NC(=O)N(CC(=O)NC(C)(C)c2nc(C)cc(=O)[n-]2)C1=O ZINC001640564022 1282876309 /nfs/dbraw/zinc/87/63/09/1282876309.db2.gz JDINNCPAFRVXCB-UHFFFAOYSA-N -1 3 363.418 0.953 10 0 FCAEHM CCn1c2ccc(C(=O)N3CC[C@H](c4cc(=O)[nH][n-]4)C3)cc2[nH]c(=O)c1=O ZINC001640595922 1282880881 /nfs/dbraw/zinc/88/08/81/1282880881.db2.gz ZDGDOKVLHRZIIU-NSHDSACASA-N -1 3 369.381 0.768 10 0 FCAEHM Cc1cc(C(=O)NCCCc2c[n-][nH]c2=O)nn1-c1nc(C)cc(C)n1 ZINC001641483860 1282955416 /nfs/dbraw/zinc/95/54/16/1282955416.db2.gz REYSBQURCYAUQZ-ZDUSSCGKSA-N -1 3 355.402 0.829 10 0 FCAEHM COc1c(C)[nH]cc(CN(C)C(=O)c2ccc(-c3nnn[n-]3)cn2)c1=O ZINC001641707425 1282969243 /nfs/dbraw/zinc/96/92/43/1282969243.db2.gz BFFMLNLZPTWYCZ-UHFFFAOYSA-N -1 3 355.358 0.539 10 0 FCAEHM COc1c(C)[nH]cc(CN(C)C(=O)c2ccc(-c3nn[n-]n3)cn2)c1=O ZINC001641707425 1282969253 /nfs/dbraw/zinc/96/92/53/1282969253.db2.gz BFFMLNLZPTWYCZ-UHFFFAOYSA-N -1 3 355.358 0.539 10 0 FCAEHM CCC1(N2CCOCC2)CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)CC1 ZINC001643038630 1283057895 /nfs/dbraw/zinc/05/78/95/1283057895.db2.gz FOSIKQCPIUYKRU-UHFFFAOYSA-N -1 3 367.450 0.573 10 0 FCAEHM CCOC(=O)C[C@@H](C)CNC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001681245709 1283487895 /nfs/dbraw/zinc/48/78/95/1283487895.db2.gz GAYZSYLVXWSQCV-VXGBXAGGSA-N -1 3 351.407 0.649 10 0 FCAEHM CC(=O)NC1CCC(NC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)CC1 ZINC001683000409 1283827174 /nfs/dbraw/zinc/82/71/74/1283827174.db2.gz LWYSJMJOPIZZGS-JXQTWKCFSA-N -1 3 362.434 0.507 10 0 FCAEHM CC[C@H](C)OCC(=O)N1C[C@@H](C)[C@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001683040623 1283845232 /nfs/dbraw/zinc/84/52/32/1283845232.db2.gz JWUMUOVCFVAACU-NTZNESFSSA-N -1 3 350.419 0.882 10 0 FCAEHM CC/C=C(\C)C(=O)N[C@@H]1CN(C(=O)CCc2c(C)nc[n-]c2=O)C[C@H]1O ZINC001719083454 1287683228 /nfs/dbraw/zinc/68/32/28/1287683228.db2.gz QAQRFTJTNBGNAT-FBSZCEHHSA-N -1 3 362.430 0.467 10 0 FCAEHM CC(C)CC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cnc[n-]c3=O)C2)CCC1 ZINC001719108015 1287755557 /nfs/dbraw/zinc/75/55/57/1287755557.db2.gz KYEAQJDZNVCTQT-ZIAGYGMSSA-N -1 3 362.430 0.700 10 0 FCAEHM CCC[C@H](OC)C(=O)N1CC[C@@H]2CN(C(=O)c3c(C)nc[n-]c3=O)[C@@H]2C1 ZINC001702425931 1285670035 /nfs/dbraw/zinc/67/00/35/1285670035.db2.gz VJQRSIGSUPQQMA-MCIONIFRSA-N -1 3 362.430 0.979 10 0 FCAEHM C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H](NC(=O)c2ccccc2[O-])[C@H]1C ZINC001702681788 1285784361 /nfs/dbraw/zinc/78/43/61/1285784361.db2.gz ILXMEXXTQNWGCE-BZPMIXESSA-N -1 3 368.455 0.792 10 0 FCAEHM C[C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1CCNC(=O)c1cnc[n-]c1=O ZINC001702844303 1285937100 /nfs/dbraw/zinc/93/71/00/1285937100.db2.gz LDZBFSAUXNIAHC-TZMCWYRMSA-N -1 3 362.430 0.823 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ncccn2)C[C@H]1CCNC(=O)c1cnc[n-]c1=O ZINC001702843624 1285937173 /nfs/dbraw/zinc/93/71/73/1285937173.db2.gz GDKHZSNBVBEYMN-VXGBXAGGSA-N -1 3 356.386 0.500 10 0 FCAEHM Cn1nccc1[C@@H]1C[C@H]1C(=O)NCCCNC(=O)c1cccc2n[n-]nc21 ZINC001703374096 1286102333 /nfs/dbraw/zinc/10/23/33/1286102333.db2.gz DYWMZTSSFANKKV-CHWSQXEVSA-N -1 3 367.413 0.731 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)N[C@H](C)CCNC(=O)c1c(C)nc[n-]c1=O ZINC001704147166 1286190370 /nfs/dbraw/zinc/19/03/70/1286190370.db2.gz GEWSLQPTUWGIOP-QKCSRTOESA-N -1 3 350.419 0.930 10 0 FCAEHM COCCOCCc1nc(C(=O)N2CCC(Cc3nn[n-]n3)CC2)c[nH]1 ZINC001593921375 1286220662 /nfs/dbraw/zinc/22/06/62/1286220662.db2.gz SHDSIKKVTRMMPN-UHFFFAOYSA-N -1 3 363.422 0.223 10 0 FCAEHM CC(C)(CNS(N)(=O)=O)NC(=O)c1cc([O-])cc(Br)c1 ZINC001593935070 1286221086 /nfs/dbraw/zinc/22/10/86/1286221086.db2.gz DOSZJSXIMMPCPO-UHFFFAOYSA-N -1 3 366.237 0.456 10 0 FCAEHM CC(C)(C)OC(=O)c1cc(C(=O)N2CCC(Cc3nn[n-]n3)CC2)[nH]n1 ZINC001593936758 1286222011 /nfs/dbraw/zinc/22/20/11/1286222011.db2.gz ZNIYLZLCJXSPEP-UHFFFAOYSA-N -1 3 361.406 0.973 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])N1CCN2C(=O)CC[C@@H]2C1 ZINC001596249405 1286291074 /nfs/dbraw/zinc/29/10/74/1286291074.db2.gz ZWFAVUJKNZZTTB-CYBMUJFWSA-N -1 3 372.356 0.321 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c([O-])cc1=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC001596249405 1286291084 /nfs/dbraw/zinc/29/10/84/1286291084.db2.gz ZWFAVUJKNZZTTB-CYBMUJFWSA-N -1 3 372.356 0.321 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)c3ccc4c(N)ncnc4c3)CC2)n1 ZINC001596360290 1286298034 /nfs/dbraw/zinc/29/80/34/1286298034.db2.gz KMTDGUYKZNLZPO-UHFFFAOYSA-N -1 3 365.397 0.978 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)NC[C@@H](NC(=O)c1cnc[n-]c1=O)C(C)C ZINC001704859376 1286311167 /nfs/dbraw/zinc/31/11/67/1286311167.db2.gz AXPWXAQMZIJJMA-BNOWGMLFSA-N -1 3 350.419 0.868 10 0 FCAEHM CCC[C@@H](OCC)C(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@@H]1O ZINC001719300568 1288065598 /nfs/dbraw/zinc/06/55/98/1288065598.db2.gz UHGAFAQDHYIEPA-VNQPRFMTSA-N -1 3 350.415 0.899 10 0 FCAEHM CCC(CC)CC(=O)N1C[C@@H](NC(=O)c2c(C)nc[n-]c2=O)[C@@H](O)C1 ZINC001719301474 1288067528 /nfs/dbraw/zinc/06/75/28/1288067528.db2.gz SGELSCFWTZGDNK-OLZOCXBDSA-N -1 3 350.419 0.618 10 0 FCAEHM CCO[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1CNC(=O)[C@@H](F)CC ZINC001719492159 1288150669 /nfs/dbraw/zinc/15/06/69/1288150669.db2.gz XEVOWGMECAQPLH-FRRDWIJNSA-N -1 3 368.409 0.832 10 0 FCAEHM CC=C(C)C(=O)NCc1nc(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc(=O)[n-]1 ZINC001719522331 1288166237 /nfs/dbraw/zinc/16/62/37/1288166237.db2.gz IADRREBYKCFKSA-BAICCYNDSA-N -1 3 360.414 0.948 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2c(C)nc[n-]c2=O)CCN1C(=O)[C@@H](COC)OC ZINC001719555757 1288179588 /nfs/dbraw/zinc/17/95/88/1288179588.db2.gz CKMPKYPXNMWYJH-YNEHKIRRSA-N -1 3 366.418 0.261 10 0 FCAEHM COC[C@@H](C)C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1cnc[n-]c1=O ZINC001736148172 1289175182 /nfs/dbraw/zinc/17/51/82/1289175182.db2.gz FLCWMTRMQMNPQT-UPJWGTAASA-N -1 3 350.419 0.822 10 0 FCAEHM CN(C(=O)[C@@H]1C[C@H]1c1ccncc1)[C@@H](CNCc1nc(=O)n(C)[n-]1)C1CC1 ZINC001725449625 1288467838 /nfs/dbraw/zinc/46/78/38/1288467838.db2.gz CDORZBKNGNDQGK-XHSDSOJGSA-N -1 3 370.457 0.634 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)NCCCN(Cc1nc(=O)n(C)[n-]1)C(C)C ZINC001732008960 1288571777 /nfs/dbraw/zinc/57/17/77/1288571777.db2.gz FFLWFCHJPSMQRG-HIFRSBDPSA-N -1 3 353.467 0.640 10 0 FCAEHM O=C(NC[C@H](CO)NC(=O)[C@@H]1C[C@H]1c1ccncc1)c1ccccc1[O-] ZINC001735245432 1288709431 /nfs/dbraw/zinc/70/94/31/1288709431.db2.gz DIVWCWXCIZSLQO-VNQPRFMTSA-N -1 3 355.394 0.798 10 0 FCAEHM CCNC(=O)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3n[n-]nc31)C2 ZINC001736483016 1289381880 /nfs/dbraw/zinc/38/18/80/1289381880.db2.gz RAJUOUAFAXSXBP-SWHYSGLUSA-N -1 3 370.413 0.346 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)N(CC)CCCNC(=O)c1cnc[n-]c1=O ZINC001737268072 1289524494 /nfs/dbraw/zinc/52/44/94/1289524494.db2.gz LIWOZWXLGGOAGU-OCCSQVGLSA-N -1 3 350.419 0.966 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)NC[C@@H](CO)NC(=O)[C@]12C[C@H]1CCC2 ZINC001701700809 1289687380 /nfs/dbraw/zinc/68/73/80/1289687380.db2.gz IVKABQDAAFRMHB-FHSNZYRGSA-N -1 3 362.430 0.207 10 0 FCAEHM CN(C[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1ccco1)C(=O)c1cnc[n-]c1=O ZINC001701840853 1289701920 /nfs/dbraw/zinc/70/19/20/1289701920.db2.gz SMPMVNZABJXWNG-IJLUTSLNSA-N -1 3 360.370 0.128 10 0 FCAEHM C[C@]1(C(=O)NC[C@@H](CO)NC(=O)c2cnc[n-]c2=O)C[C@@H]1c1ccccc1 ZINC001738882741 1289744675 /nfs/dbraw/zinc/74/46/75/1289744675.db2.gz GZMCZYCOLDRFPW-OHNRDTAOSA-N -1 3 370.409 0.583 10 0 FCAEHM O=C(COCC(F)F)N1CC[C@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@H]21 ZINC001702143415 1289746928 /nfs/dbraw/zinc/74/69/28/1289746928.db2.gz HPPDYGWSMPUOEK-GXSJLCMTSA-N -1 3 356.329 0.137 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)CSc1ccc(S(N)(=O)=O)cc1 ZINC001615962522 1289765675 /nfs/dbraw/zinc/76/56/75/1289765675.db2.gz DFSYBQGHYSQXKQ-LBPRGKRZSA-N -1 3 370.456 0.054 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1CC(C)C ZINC001739064763 1289789657 /nfs/dbraw/zinc/78/96/57/1289789657.db2.gz ZELFCMNFEQNODX-MGPQQGTHSA-N -1 3 364.446 0.722 10 0 FCAEHM CC[C@@H](F)C(=O)N[C@@H]1CN(C(=O)c2nnc3ccccc3c2[O-])C[C@H]1O ZINC001702201986 1289857323 /nfs/dbraw/zinc/85/73/23/1289857323.db2.gz HOHGBQOBECZCKT-RAIGVLPGSA-N -1 3 362.361 0.385 10 0 FCAEHM CC[C@H](CC(C)C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001702203538 1289860910 /nfs/dbraw/zinc/86/09/10/1289860910.db2.gz HRFVZFCZAVQAGS-MGPQQGTHSA-N -1 3 364.446 0.864 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)[C@]2(C(=O)OC)C[C@@H]2c2ccccc2)n[n-]1 ZINC001618402901 1289903531 /nfs/dbraw/zinc/90/35/31/1289903531.db2.gz DFBWOZGXSIFGAM-DIFFPNOSSA-N -1 3 358.354 0.806 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(C(=O)Cc3cn(CC)nn3)CC2)n[n-]1 ZINC001618409320 1289905412 /nfs/dbraw/zinc/90/54/12/1289905412.db2.gz NKYYAPCQABCLDU-UHFFFAOYSA-N -1 3 361.406 0.542 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(C(=O)Cc3cn(CC)nn3)CC2)[n-]1 ZINC001618409320 1289905418 /nfs/dbraw/zinc/90/54/18/1289905418.db2.gz NKYYAPCQABCLDU-UHFFFAOYSA-N -1 3 361.406 0.542 10 0 FCAEHM CCO[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccccc2[O-])C1)C(C)C ZINC001739398228 1289914011 /nfs/dbraw/zinc/91/40/11/1289914011.db2.gz RTCDCMGBISNHKH-BMFZPTHFSA-N -1 3 350.415 0.755 10 0 FCAEHM CO[C@@H]1CN(C(=O)C(F)F)C[C@H]1NC(=O)CCc1c(C)nc[n-]c1=O ZINC001702315790 1290024805 /nfs/dbraw/zinc/02/48/05/1290024805.db2.gz YQQOAFSDVZSMNM-GHMZBOCLSA-N -1 3 358.345 0.030 10 0 FCAEHM COCC[C@@H](C)C(=O)N1C[C@@H](NC(=O)c2c(C)nc[n-]c2=O)[C@H](OC)C1 ZINC001702334972 1290072132 /nfs/dbraw/zinc/07/21/32/1290072132.db2.gz YWZYLLQJXPXVKN-RAIGVLPGSA-N -1 3 366.418 0.119 10 0 FCAEHM CC/C=C(/C)C(=O)N1C[C@@H](NC(=O)Cc2c(C)nc(C)[n-]c2=O)[C@@H](O)C1 ZINC001702355088 1290117971 /nfs/dbraw/zinc/11/79/71/1290117971.db2.gz HUEUZOOQBIEBDA-FVGUCBIESA-N -1 3 362.430 0.386 10 0 FCAEHM O=C(CC(C1CC1)C1CC1)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@@H]1O ZINC001702362525 1290131727 /nfs/dbraw/zinc/13/17/27/1290131727.db2.gz MLOGQXPJSKTXEI-CABCVRRESA-N -1 3 360.414 0.310 10 0 FCAEHM CNC(=O)CCCCC(=O)N1C[C@@H](NC(=O)c2ccccc2[O-])[C@@H](O)C1 ZINC001739599617 1290220477 /nfs/dbraw/zinc/22/04/77/1290220477.db2.gz IWYRGSLNVCMHPW-HIFRSBDPSA-N -1 3 363.414 0.000 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN3C[C@@H](F)C[C@H]3C2)ccc1F ZINC001624768286 1290295337 /nfs/dbraw/zinc/29/53/37/1290295337.db2.gz WAJIWZYHIWMFCO-RYUDHWBXSA-N -1 3 359.398 0.602 10 0 FCAEHM COC(=O)[C@H](NC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])C(C)C ZINC001625027403 1290314581 /nfs/dbraw/zinc/31/45/81/1290314581.db2.gz JEQVWTWBOLTIIQ-CQSZACIVSA-N -1 3 363.345 0.801 10 0 FCAEHM COC(=O)[C@H](NC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O)C(C)C ZINC001625027403 1290314593 /nfs/dbraw/zinc/31/45/93/1290314593.db2.gz JEQVWTWBOLTIIQ-CQSZACIVSA-N -1 3 363.345 0.801 10 0 FCAEHM Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)c1cnncc1[O-] ZINC001625344057 1290335374 /nfs/dbraw/zinc/33/53/74/1290335374.db2.gz RDVASJLNFBOHAI-OAHLLOKOSA-N -1 3 352.354 0.452 10 0 FCAEHM O=C(c1ccc(=O)[nH]c1)N1CCN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)CC1 ZINC001626322402 1290388880 /nfs/dbraw/zinc/38/88/80/1290388880.db2.gz JAHVHVRNEKOIBX-UHFFFAOYSA-N -1 3 369.381 0.758 10 0 FCAEHM C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC001739906784 1290435628 /nfs/dbraw/zinc/43/56/28/1290435628.db2.gz HMNYMVRKODQCQI-SGMGOOAPSA-N -1 3 359.434 0.432 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC001627153716 1290441578 /nfs/dbraw/zinc/44/15/78/1290441578.db2.gz XUKSCEVJNFVCHM-SJCJKPOMSA-N -1 3 368.434 0.377 10 0 FCAEHM COC[C@@H](C)C(=O)N1C[C@@H]2CN(C(=O)c3c(C)nc[n-]c3=O)CC[C@@H]2C1 ZINC001740027442 1290472961 /nfs/dbraw/zinc/47/29/61/1290472961.db2.gz KDDQMEQDFZHWHV-BNOWGMLFSA-N -1 3 362.430 0.694 10 0 FCAEHM COC[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)c3c(C)nc[n-]c3=O)C[C@@]2(C)C1 ZINC001740137618 1290497501 /nfs/dbraw/zinc/49/75/01/1290497501.db2.gz BXLHVYMLZOFNBA-SUFBMKPHSA-N -1 3 362.430 0.694 10 0 FCAEHM O=C(Cn1nc(-c2ccccc2)oc1=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001628254798 1290520790 /nfs/dbraw/zinc/52/07/90/1290520790.db2.gz FFMQRSQARZZSDG-UHFFFAOYSA-N -1 3 359.367 0.604 10 0 FCAEHM CS(=O)(=O)c1ccc(C=CC(=O)NCc2cc(=O)[n-]c(=S)[nH]2)o1 ZINC001628259182 1290520832 /nfs/dbraw/zinc/52/08/32/1290520832.db2.gz PLIFLDRTKIGCFL-DUXPYHPUSA-N -1 3 355.397 0.797 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@]1(F)CCN(C(=O)OC(C)(C)C)C1 ZINC001628270347 1290521514 /nfs/dbraw/zinc/52/15/14/1290521514.db2.gz QZPKCVIFGXWBRR-BDJLRTHQSA-N -1 3 356.398 0.964 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H](C)[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001628274713 1290523410 /nfs/dbraw/zinc/52/34/10/1290523410.db2.gz PAGTZAALDOOJGF-RAIGVLPGSA-N -1 3 370.450 0.479 10 0 FCAEHM O=C(CCOC[C@@H]1CCCO1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn[n-]n1)C2 ZINC001740317986 1290532192 /nfs/dbraw/zinc/53/21/92/1290532192.db2.gz LRGLSHCNKFXJQS-OSFYFWSMSA-N -1 3 363.418 0.252 10 0 FCAEHM CCOC(=O)c1nc([C@H](C)NC(=O)CCCCN2CCOCC2)n[n-]1 ZINC001629030292 1290571821 /nfs/dbraw/zinc/57/18/21/1290571821.db2.gz WZFRPZYRODNFOH-LBPRGKRZSA-N -1 3 353.423 0.661 10 0 FCAEHM CCOC(=O)c1nnc([C@H](C)NC(=O)CCCCN2CCOCC2)[n-]1 ZINC001629030292 1290571829 /nfs/dbraw/zinc/57/18/29/1290571829.db2.gz WZFRPZYRODNFOH-LBPRGKRZSA-N -1 3 353.423 0.661 10 0 FCAEHM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)CCCCN2CCOCC2)n1 ZINC001629030292 1290571835 /nfs/dbraw/zinc/57/18/35/1290571835.db2.gz WZFRPZYRODNFOH-LBPRGKRZSA-N -1 3 353.423 0.661 10 0 FCAEHM CC[S@](=O)CCNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001629132227 1290579788 /nfs/dbraw/zinc/57/97/88/1290579788.db2.gz NYDNFROQAJJIGH-DEOSSOPVSA-N -1 3 353.375 0.372 10 0 FCAEHM CC[S@](=O)CCNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001629132227 1290579797 /nfs/dbraw/zinc/57/97/97/1290579797.db2.gz NYDNFROQAJJIGH-DEOSSOPVSA-N -1 3 353.375 0.372 10 0 FCAEHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@H](O)[C@@](O)(c1ccccc1)C(F)(F)F ZINC001629376790 1290597205 /nfs/dbraw/zinc/59/72/05/1290597205.db2.gz JTBAYPYUIAGQDS-HZMBPMFUSA-N -1 3 373.287 0.946 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCO[C@@H](CNC(=O)NC)C2)c1 ZINC001629588272 1290612232 /nfs/dbraw/zinc/61/22/32/1290612232.db2.gz YHRPPDSVKICRNK-LBPRGKRZSA-N -1 3 362.386 0.287 10 0 FCAEHM C[C@@H]1C(=O)N([N-]C(=O)c2ccc3c(c2)nc2n(c3=O)CCC2)C(=O)N1C ZINC001629880394 1290631864 /nfs/dbraw/zinc/63/18/64/1290631864.db2.gz IKUKYXQIAQNTCX-SECBINFHSA-N -1 3 355.354 0.270 10 0 FCAEHM C[C@H](C(=O)NCCCc1c[n-][nH]c1=O)[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001630632478 1290683335 /nfs/dbraw/zinc/68/33/35/1290683335.db2.gz UMDZYKLLDKZLIN-XQQFMLRXSA-N -1 3 370.450 0.479 10 0 FCAEHM CS(=O)(=O)Nc1cc(C(=O)NCCCc2c[n-][nH]c2=O)ccc1Cl ZINC001630631238 1290683787 /nfs/dbraw/zinc/68/37/87/1290683787.db2.gz GEGFZJHIJWPLAL-JTQLQIEISA-N -1 3 372.834 0.953 10 0 FCAEHM CONC(=O)C1CCN(C(=O)CCNC(=O)c2ccc(C)cc2[O-])CC1 ZINC001644121791 1290941074 /nfs/dbraw/zinc/94/10/74/1290941074.db2.gz JENADGKTXHAXFY-UHFFFAOYSA-N -1 3 363.414 0.737 10 0 FCAEHM Cc1nn(CC(F)F)cc1C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001644159667 1290944139 /nfs/dbraw/zinc/94/41/39/1290944139.db2.gz FUPAZOYAWUDEBP-UHFFFAOYSA-N -1 3 353.329 0.955 10 0 FCAEHM Cc1nc2ncnn2c(C)c1CCC(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001644268784 1290952249 /nfs/dbraw/zinc/95/22/49/1290952249.db2.gz LLXYMDQDKXZSDW-UHFFFAOYSA-N -1 3 359.415 0.774 10 0 FCAEHM CN1CCN(Cc2ccc(C(=O)N3CC[C@H](c4nn[n-]n4)C3)s2)CC1 ZINC001644299396 1290953744 /nfs/dbraw/zinc/95/37/44/1290953744.db2.gz ORIKRVPGNBJQSD-LBPRGKRZSA-N -1 3 361.475 0.638 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCC[C@H](NC(=O)COCc3nccn3C)C2)n1 ZINC001645356986 1291022503 /nfs/dbraw/zinc/02/25/03/1291022503.db2.gz BSLWCYAFFQLSSE-ZDUSSCGKSA-N -1 3 360.418 0.526 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)c3ccnc(-n4cncn4)c3)CC2)n1 ZINC001645590788 1291037198 /nfs/dbraw/zinc/03/71/98/1291037198.db2.gz DJXRSLPESRLGJH-UHFFFAOYSA-N -1 3 366.385 0.429 10 0 FCAEHM COc1cc(C(=O)N2CCS(=O)(=O)C[C@H]2CCO)cc(OC)c1[O-] ZINC001646012019 1291054998 /nfs/dbraw/zinc/05/49/98/1291054998.db2.gz UBYZSDCSJXLREG-LLVKDONJSA-N -1 3 359.400 0.031 10 0 FCAEHM Cc1oc(C(=O)NCCCc2c[n-][nH]c2=O)cc1S(=O)(=O)N(C)C ZINC001647858285 1291078492 /nfs/dbraw/zinc/07/84/92/1291078492.db2.gz GQAKVSBBHNHZFK-SNVBAGLBSA-N -1 3 356.404 0.080 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC001647858861 1291078582 /nfs/dbraw/zinc/07/85/82/1291078582.db2.gz LBPIBEKZQROXCK-MRVPVSSYSA-N -1 3 350.762 0.913 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC001647858574 1291079287 /nfs/dbraw/zinc/07/92/87/1291079287.db2.gz IZLIDSWJHODDNM-NSHDSACASA-N -1 3 357.345 0.613 10 0 FCAEHM CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)NCCCc2c[n-][nH]c2=O)C1 ZINC001647858140 1291079311 /nfs/dbraw/zinc/07/93/11/1291079311.db2.gz FNEDZUJAMLAPQC-BDJLRTHQSA-N -1 3 356.398 0.964 10 0 FCAEHM CON(C)C1CN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC001647905009 1291083102 /nfs/dbraw/zinc/08/31/02/1291083102.db2.gz LLJAXCZPSCVTKB-UHFFFAOYSA-N -1 3 353.853 0.384 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)CC[C@H]2CC[C@@H](C3OCCO3)O2)[n-]1 ZINC001648716772 1291137604 /nfs/dbraw/zinc/13/76/04/1291137604.db2.gz FLYSKJJOTGHHKF-MNOVXSKESA-N -1 3 368.390 0.298 10 0 FCAEHM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC001650748353 1291178097 /nfs/dbraw/zinc/17/80/97/1291178097.db2.gz IHSFOTOVJMZZHD-CBAPKCEASA-N -1 3 374.319 0.186 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCOC[C@H]2CNC(=O)NC)c1 ZINC001650773451 1291178724 /nfs/dbraw/zinc/17/87/24/1291178724.db2.gz LDSVDDQBKKCFTM-GFCCVEGCSA-N -1 3 362.386 0.287 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC001650852371 1291180689 /nfs/dbraw/zinc/18/06/89/1291180689.db2.gz CZOVOBPLDQFHFZ-DIFFPNOSSA-N -1 3 361.402 0.260 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)c2cncc(N3CCCC3=O)c2)[n-]1 ZINC001650943763 1291188085 /nfs/dbraw/zinc/18/80/85/1291188085.db2.gz LZZCCUPMXIJDNN-UHFFFAOYSA-N -1 3 358.358 0.433 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)[C@@]2(C)Oc3ccccc3NC2=O)[n-]1 ZINC001650944147 1291188784 /nfs/dbraw/zinc/18/87/84/1291188784.db2.gz SLIPTVLLAYOBNI-MRXNPFEDSA-N -1 3 359.342 0.387 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)c2cnc3ccnn3c2C(F)F)[n-]1 ZINC001650944407 1291188961 /nfs/dbraw/zinc/18/89/61/1291188961.db2.gz WXQWSEPSMQVNSM-UHFFFAOYSA-N -1 3 365.300 0.892 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)Cn2c(C)nc3ccccc3c2=O)[n-]1 ZINC001650944452 1291189222 /nfs/dbraw/zinc/18/92/22/1291189222.db2.gz XXJFGDVDAZWPEZ-UHFFFAOYSA-N -1 3 370.369 0.316 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCC2(S(N)(=O)=O)CCC2)c1 ZINC001652047764 1291256959 /nfs/dbraw/zinc/25/69/59/1291256959.db2.gz JJERZWLTGJYPQY-UHFFFAOYSA-N -1 3 353.400 0.458 10 0 FCAEHM CN1CCN(C(=O)[C@@H](Cc2ccccc2)N=c2ncnc3[nH][n-]cc2-3)CC1 ZINC001652231365 1291269130 /nfs/dbraw/zinc/26/91/30/1291269130.db2.gz LGNFEVATFXMDCN-MRXNPFEDSA-N -1 3 365.441 0.524 10 0 FCAEHM C[C@H](CC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)NC(=O)C1CCCC1 ZINC001653312547 1291334240 /nfs/dbraw/zinc/33/42/40/1291334240.db2.gz LDINCSQKJQDESV-TZMCWYRMSA-N -1 3 361.446 0.962 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cnc(OCC2CC2)cn1 ZINC001653313471 1291336435 /nfs/dbraw/zinc/33/64/35/1291336435.db2.gz UNNBPTVVUFXXOK-GFCCVEGCSA-N -1 3 356.386 0.770 10 0 FCAEHM CC(=O)c1cn(C2CN(C(=O)CCNC(=O)c3ccc(C)cc3[O-])C2)nn1 ZINC001653503652 1291349912 /nfs/dbraw/zinc/34/99/12/1291349912.db2.gz QYVVBIJIGCQGHB-UHFFFAOYSA-N -1 3 371.397 0.698 10 0 FCAEHM CCO[C@@H](C(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]2C1)C1CC1 ZINC001656810791 1291563678 /nfs/dbraw/zinc/56/36/78/1291563678.db2.gz XVVZQJDOCFGRJK-IJEWVQPXSA-N -1 3 363.462 0.204 10 0 FCAEHM COC(=O)c1cccc(NC(=O)CN2CCC(Cc3nnn[n-]3)CC2)n1 ZINC001660009496 1291649729 /nfs/dbraw/zinc/64/97/29/1291649729.db2.gz VMNQLMWXEXDIOS-UHFFFAOYSA-N -1 3 359.390 0.275 10 0 FCAEHM COC(=O)c1cccc(NC(=O)CN2CCC(Cc3nn[n-]n3)CC2)n1 ZINC001660009496 1291649738 /nfs/dbraw/zinc/64/97/38/1291649738.db2.gz VMNQLMWXEXDIOS-UHFFFAOYSA-N -1 3 359.390 0.275 10 0 FCAEHM COC(=O)CN(C)C(=O)CCN1CCC[C@H]1c1ncc(OC)c(=O)[n-]1 ZINC001660521949 1291662602 /nfs/dbraw/zinc/66/26/02/1291662602.db2.gz GCXXBEJHWWWFEL-NSHDSACASA-N -1 3 352.391 0.349 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)NCCC[C@H]1CCCN1Cc1nc(=O)n(C)[n-]1 ZINC001663092831 1291745707 /nfs/dbraw/zinc/74/57/07/1291745707.db2.gz FWCIQGGCURLNGW-ZNMIVQPWSA-N -1 3 365.478 0.784 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)NCc1nc(CNC(=O)[C@@H](C)OC)cc(=O)[n-]1 ZINC001684815348 1292340052 /nfs/dbraw/zinc/34/00/52/1292340052.db2.gz HSCHZDJOKMWEAD-RTXFEEFZSA-N -1 3 366.418 0.265 10 0 FCAEHM CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)NCC[C@@H]1CNC(=O)C1 ZINC001685123008 1292433823 /nfs/dbraw/zinc/43/38/23/1292433823.db2.gz LTVBJVQZBRDIJD-JTQLQIEISA-N -1 3 372.422 0.523 10 0 FCAEHM NC(=O)CC1CC(NC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)C1 ZINC001685219552 1292456717 /nfs/dbraw/zinc/45/67/17/1292456717.db2.gz YDJXKPKYVSSCHN-WHXUTIOJSA-N -1 3 364.368 0.741 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N[C@@H]1COc2ccccc2[C@@H]1O ZINC001685574797 1292563173 /nfs/dbraw/zinc/56/31/73/1292563173.db2.gz PUFQBRIYKILFNX-NDGTYSDOSA-N -1 3 371.397 0.555 10 0 FCAEHM C[C@H](CC(=O)N1C[C@@H](CNC(=O)c2ccccc2[O-])[C@H](C)C1)NC(N)=O ZINC001685600882 1292570267 /nfs/dbraw/zinc/57/02/67/1292570267.db2.gz XALGCWNVCNIZNW-JHJVBQTASA-N -1 3 362.430 0.663 10 0 FCAEHM CCN(C)C(C)(C)C(=O)N1C[C@@H](CNC(=O)c2[nH]nc(C)c2[O-])[C@H](C)C1 ZINC001685641238 1292579874 /nfs/dbraw/zinc/57/98/74/1292579874.db2.gz YIBNWRZODVBIIR-DGCLKSJQSA-N -1 3 365.478 0.978 10 0 FCAEHM COc1cccc([C@H](O)CNC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)c1 ZINC001685645303 1292581171 /nfs/dbraw/zinc/58/11/71/1292581171.db2.gz PYPAJNCXEAEZII-UKRRQHHQSA-N -1 3 373.413 0.802 10 0 FCAEHM COC[C@H](NC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)[C@H]1CCCO1 ZINC001686303209 1292894778 /nfs/dbraw/zinc/89/47/78/1292894778.db2.gz CSIMKNDTLSHUBG-FRRDWIJNSA-N -1 3 351.407 0.254 10 0 FCAEHM Cn1cc(Br)c(C[N-]S(=O)(=O)c2cncc(C#N)c2)n1 ZINC000393636870 836061890 /nfs/dbraw/zinc/06/18/90/836061890.db2.gz ZPADYKOQBCPCCG-UHFFFAOYSA-N -1 3 356.205 0.928 10 0 FCAEHM CC(C)OCCS(=O)(=O)[N-]CC(=O)OCc1nc(-c2ccoc2)no1 ZINC000748148629 836286886 /nfs/dbraw/zinc/28/68/86/836286886.db2.gz HOQHHGZSNULAOH-UHFFFAOYSA-N -1 3 373.387 0.717 10 0 FCAEHM COCCN1CCC(NC(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-])CC1 ZINC001118148964 847297336 /nfs/dbraw/zinc/29/73/36/847297336.db2.gz SAHMODIXKYYTLN-CYBMUJFWSA-N -1 3 357.451 0.077 10 0 FCAEHM COC(=O)[C@]1(N2CCN(C(=O)c3ccc(O)cc3[O-])CC2)CCOC1 ZINC001118882497 847618960 /nfs/dbraw/zinc/61/89/60/847618960.db2.gz QWKNHRKBZDPDRA-KRWDZBQOSA-N -1 3 350.371 0.188 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)[C@H](C[C@@H]1COCCO1)C(F)(F)F ZINC001119596455 847905577 /nfs/dbraw/zinc/90/55/77/847905577.db2.gz XJLPIFWAZMQIKO-AXFHLTTASA-N -1 3 351.325 0.599 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1nc(N2CCCC2)ncc1Cl ZINC001136653680 849233254 /nfs/dbraw/zinc/23/32/54/849233254.db2.gz DFAVQYMGZPYDLV-SNVBAGLBSA-N -1 3 350.810 0.972 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)n[n-]1 ZINC001136933115 849249966 /nfs/dbraw/zinc/24/99/66/849249966.db2.gz WDMFFERLDATIRF-IUCAKERBSA-N -1 3 353.379 0.620 10 0 FCAEHM CCOC(=O)c1ccc(NC(=O)[C@@]2(OC)CCS(=O)(=O)C2)c([O-])c1 ZINC001137939670 849292498 /nfs/dbraw/zinc/29/24/98/849292498.db2.gz MPPCNJWSOGEKED-OAHLLOKOSA-N -1 3 357.384 0.711 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)Nc1cn[nH]n1 ZINC001138325553 849307598 /nfs/dbraw/zinc/30/75/98/849307598.db2.gz ICWQVBXIDLNISH-UHFFFAOYSA-N -1 3 366.222 0.546 10 0 FCAEHM Cc1cc(=O)[n-]c(CNC(=O)CC2(O)CN(C(=O)OC(C)(C)C)C2)n1 ZINC001144555562 849526050 /nfs/dbraw/zinc/52/60/50/849526050.db2.gz JUYFFRVDJKFCHE-UHFFFAOYSA-N -1 3 352.391 0.479 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)C[C@@H]2CCC3(CCOCC3)CO2)n[n-]1 ZINC001147683380 849588665 /nfs/dbraw/zinc/58/86/65/849588665.db2.gz HIQKIJNNHBXALN-NSHDSACASA-N -1 3 352.391 0.825 10 0 FCAEHM COc1ccc(S(=O)(=O)CCC(=O)NCCCc2c[n-][nH]c2=O)cc1 ZINC001149262321 849634014 /nfs/dbraw/zinc/63/40/14/849634014.db2.gz LDCNUJITNJDWCJ-GFCCVEGCSA-N -1 3 367.427 0.487 10 0 FCAEHM CCNS(=O)(=O)c1ccc(C)c(C(=O)NCCCc2c[n-][nH]c2=O)c1 ZINC001149256974 849634370 /nfs/dbraw/zinc/63/43/70/849634370.db2.gz LKSBUVBDMRACJI-LBPRGKRZSA-N -1 3 366.443 0.535 10 0 FCAEHM O=C(CCNS(=O)(=O)c1cccs1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001164322878 850407805 /nfs/dbraw/zinc/40/78/05/850407805.db2.gz TXYRWFULJXBCRW-SNVBAGLBSA-N -1 3 370.456 0.861 10 0 FCAEHM CC(C)(C)OC(=O)NC1(CC(=O)NCCCc2c[n-][nH]c2=O)COC1 ZINC001168402033 850584798 /nfs/dbraw/zinc/58/47/98/850584798.db2.gz CODQBUJPEGPTFF-LLVKDONJSA-N -1 3 354.407 0.298 10 0 FCAEHM C[C@H](Sc1nc(CC(=O)NCCCc2c[n-][nH]c2=O)cs1)C(N)=O ZINC001168402480 850584893 /nfs/dbraw/zinc/58/48/93/850584893.db2.gz CTOPPXBBVDBSHW-DTWKUNHWSA-N -1 3 369.472 0.280 10 0 FCAEHM COC(=O)C1(O)CN(C(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)C1 ZINC001175340666 850761905 /nfs/dbraw/zinc/76/19/05/850761905.db2.gz CDGYCJJAGZYBEI-UHFFFAOYSA-N -1 3 357.388 0.850 10 0 FCAEHM O=C(Nc1ccc2c(c1)S(=O)(=O)CC(=O)N2)c1cccc2n[n-]nc21 ZINC001177003506 850819902 /nfs/dbraw/zinc/81/99/02/850819902.db2.gz AHXDLDZTNTVWLU-UHFFFAOYSA-N -1 3 357.351 0.936 10 0 FCAEHM Cc1nc(C)c(CC(=O)N[C@H]2CCS(=O)(=O)C3(CCC3)C2)c(=O)[n-]1 ZINC001178547231 850906986 /nfs/dbraw/zinc/90/69/86/850906986.db2.gz BUGSGXJOJMNBIZ-LBPRGKRZSA-N -1 3 353.444 0.958 10 0 FCAEHM CC(C)OC(=O)c1cc(NC(=O)CC2CCN(S(C)(=O)=O)CC2)[n-]n1 ZINC001179082665 850954471 /nfs/dbraw/zinc/95/44/71/850954471.db2.gz NWESPUDFMCIFCO-UHFFFAOYSA-N -1 3 372.447 0.975 10 0 FCAEHM CC(C)OC(=O)c1cc(NC(=O)CC2CCN(S(C)(=O)=O)CC2)n[n-]1 ZINC001179082665 850954476 /nfs/dbraw/zinc/95/44/76/850954476.db2.gz NWESPUDFMCIFCO-UHFFFAOYSA-N -1 3 372.447 0.975 10 0 FCAEHM COC(=O)c1cc(NC(=O)C[C@@H]2CCS(=O)(=O)C2)c([O-])c(OC)c1 ZINC001179883519 851003885 /nfs/dbraw/zinc/00/38/85/851003885.db2.gz MCXQNFZMPMBKOS-VIFPVBQESA-N -1 3 357.384 0.951 10 0 FCAEHM C[C@@H](Cn1cncn1)NC(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001252792630 857841220 /nfs/dbraw/zinc/84/12/20/857841220.db2.gz BPCYVCHLZDYKNN-JTQLQIEISA-N -1 3 370.410 0.677 10 0 FCAEHM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N[C@@H](CO)CC(F)(F)F ZINC001254489365 857975129 /nfs/dbraw/zinc/97/51/29/857975129.db2.gz RJZOICJOTHXNQL-SSDOTTSWSA-N -1 3 350.297 0.367 10 0 FCAEHM C[C@@H](CC(=O)N1C[C@@H](O)C2(CC2)C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC001255296502 858007200 /nfs/dbraw/zinc/00/72/00/858007200.db2.gz NCQNFPADTCOHTG-CMPLNLGQSA-N -1 3 373.862 0.775 10 0 FCAEHM Cc1sc(C(=O)[O-])cc1S(=O)(=O)N1CCC(N2CC[C@H](O)C2)CC1 ZINC001261890751 858701691 /nfs/dbraw/zinc/70/16/91/858701691.db2.gz NUHXEKSDCJMMNM-LBPRGKRZSA-N -1 3 374.484 0.974 10 0 FCAEHM CCO[C@H](C(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1O)C(C)C ZINC001281669726 863604803 /nfs/dbraw/zinc/60/48/03/863604803.db2.gz LDJCRSFGHLQPGX-BMFZPTHFSA-N -1 3 350.415 0.755 10 0 FCAEHM COCC(C)(C)CC(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1O ZINC001281692900 863639089 /nfs/dbraw/zinc/63/90/89/863639089.db2.gz LKCFVTQOPDUMNI-UKRRQHHQSA-N -1 3 350.415 0.756 10 0 FCAEHM CCCC(CCC)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1O ZINC001281709483 863666385 /nfs/dbraw/zinc/66/63/85/863666385.db2.gz CYXUKKWLFMZFKF-ZIAGYGMSSA-N -1 3 350.419 0.700 10 0 FCAEHM CO[C@@H](C(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1C)C(C)C ZINC001281800543 863751821 /nfs/dbraw/zinc/75/18/21/863751821.db2.gz AUSIOEFDXQKIGE-MPKXVKKWSA-N -1 3 350.419 0.738 10 0 FCAEHM CC[C@@H](CC(F)F)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@@H]1O ZINC001281896707 863904658 /nfs/dbraw/zinc/90/46/58/863904658.db2.gz XLJMELWKBDVWFM-GDPRMGEGSA-N -1 3 358.345 0.165 10 0 FCAEHM CCCC(=O)NC[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1OCC ZINC001282183762 864108860 /nfs/dbraw/zinc/10/88/60/864108860.db2.gz UZPGSZDFGOHSJC-CHWSQXEVSA-N -1 3 350.419 0.884 10 0 FCAEHM CC[C@H](OC)C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)c1cnc[n-]c1=O ZINC001282207186 864123387 /nfs/dbraw/zinc/12/33/87/864123387.db2.gz MVKRMSULRKGYIK-DYEKYZERSA-N -1 3 350.419 0.964 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NCc1nc(CNC(=O)COC(C)C)cc(=O)[n-]1 ZINC001282234855 864130090 /nfs/dbraw/zinc/13/00/90/864130090.db2.gz RLEIVUSYDYMDFA-DGCLKSJQSA-N -1 3 350.419 0.886 10 0 FCAEHM CS(=O)(=O)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccccc1[O-] ZINC001282651631 864386094 /nfs/dbraw/zinc/38/60/94/864386094.db2.gz FWLJUOSYSOOZKD-XBFCOCLRSA-N -1 3 366.439 0.689 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)N(C)CCN(C)C(=O)c1c(C)nc[n-]c1=O ZINC001285379252 864625130 /nfs/dbraw/zinc/62/51/30/864625130.db2.gz MOIBHQIBNMGRKI-OCCSQVGLSA-N -1 3 350.419 0.836 10 0 FCAEHM CO[C@@H]1CN(C(=O)C[C@@H](C)C(C)C)C[C@H]1NC(=O)c1cnc[n-]c1=O ZINC001289500533 865102330 /nfs/dbraw/zinc/10/23/30/865102330.db2.gz CPDQHPGEGMETHS-MRVWCRGKSA-N -1 3 350.419 0.820 10 0 FCAEHM CC(C)COCCC(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@@H]1O ZINC001289570721 865146010 /nfs/dbraw/zinc/14/60/10/865146010.db2.gz DCILVCGNPDLSTD-ZBFHGGJFSA-N -1 3 350.415 0.756 10 0 FCAEHM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@H]1C ZINC001290668795 865485273 /nfs/dbraw/zinc/48/52/73/865485273.db2.gz BCALFVNWBZVCHW-AXFHLTTASA-N -1 3 350.423 0.075 10 0 FCAEHM COCCC[C@H](C)C(=O)N[C@H]1CCN(C(=O)c2cnc[n-]c2=O)[C@@H]1C ZINC001290726092 865504439 /nfs/dbraw/zinc/50/44/39/865504439.db2.gz VZNPTYDPYYIQGU-SCRDCRAPSA-N -1 3 350.419 0.964 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F ZINC001292970517 865766106 /nfs/dbraw/zinc/76/61/06/865766106.db2.gz XJTXWKQHCLOTIV-WDEREUQCSA-N -1 3 370.406 0.121 10 0 FCAEHM CNC(=O)N[C@H]1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)C1 ZINC001296170168 865944375 /nfs/dbraw/zinc/94/43/75/865944375.db2.gz MDZZCIZSUGTXOJ-JTQLQIEISA-N -1 3 374.850 0.855 10 0 FCAEHM Cn1c(C=O)ccc1C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001296831887 865992258 /nfs/dbraw/zinc/99/22/58/865992258.db2.gz KDJUYUTYRLOVRT-UHFFFAOYSA-N -1 3 371.365 0.824 10 0 FCAEHM CS(=O)(=O)c1ccc(OCCC(=O)NCCCc2c[n-][nH]c2=O)cc1 ZINC001301561156 866270892 /nfs/dbraw/zinc/27/08/92/866270892.db2.gz HSDVRZVSOUFZSB-LBPRGKRZSA-N -1 3 367.427 0.487 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)NCC1(NCc2nc(=O)n(C)[n-]2)CCCC1 ZINC001319361732 867897937 /nfs/dbraw/zinc/89/79/37/867897937.db2.gz MGDRPIYFQVBXRR-OCCSQVGLSA-N -1 3 351.451 0.442 10 0 FCAEHM COc1c(F)cc(CC(=O)[N-]OC2CCOCC2)cc1S(N)(=O)=O ZINC001320395404 868155897 /nfs/dbraw/zinc/15/58/97/868155897.db2.gz ZOZBQLCYOMAKPT-UHFFFAOYSA-N -1 3 362.379 0.251 10 0 FCAEHM CN1c2ccccc2C[C@@H]([N-]S(=O)(=O)C2CCS(=O)(=O)CC2)C1=O ZINC001327402271 870842638 /nfs/dbraw/zinc/84/26/38/870842638.db2.gz HDJKJOFTBKIBEJ-CYBMUJFWSA-N -1 3 372.468 0.071 10 0 FCAEHM C[C@@H]1CC[C@@H](NC(=O)C(=O)NCc2ccc([O-])c(F)c2)CS1(=O)=O ZINC001328247719 871311771 /nfs/dbraw/zinc/31/17/71/871311771.db2.gz ZUUZQABPOVZUFK-MWLCHTKSSA-N -1 3 358.391 0.229 10 0 FCAEHM CO[C@@H](C(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O)[C@@H]1CCOC1 ZINC001328546417 871497011 /nfs/dbraw/zinc/49/70/11/871497011.db2.gz WYZCINQGUFTVMZ-QMTHXVAHSA-N -1 3 360.407 0.865 10 0 FCAEHM O=C1Nc2ccccc2C[C@H]1[N-]S(=O)(=O)C1CCS(=O)(=O)CC1 ZINC001328880614 871687809 /nfs/dbraw/zinc/68/78/09/871687809.db2.gz DADYFKBDSYYJLO-CYBMUJFWSA-N -1 3 358.441 0.046 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]Cc2nnc3n2CCC3)c(Br)n1 ZINC001329308108 871945537 /nfs/dbraw/zinc/94/55/37/871945537.db2.gz XUZOVYMHZPLXOJ-UHFFFAOYSA-N -1 3 361.225 0.199 10 0 FCAEHM CCS(=O)(=O)NCCCN1CCC(n2ncc(C(=O)[O-])c2C)CC1 ZINC001329712098 872197774 /nfs/dbraw/zinc/19/77/74/872197774.db2.gz HWWVAJOFJLJFBK-UHFFFAOYSA-N -1 3 358.464 0.856 10 0 FCAEHM CCOC(=O)[C@H]([N-]S(=O)(=O)c1cn(C)nc1Br)C1CC1 ZINC001329754046 872230912 /nfs/dbraw/zinc/23/09/12/872230912.db2.gz ISUXZHLKZNOSBS-SECBINFHSA-N -1 3 366.237 0.803 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]C1(c2cc(C)no2)CCOCC1)[C@@H]1CCOC1 ZINC001348200562 872626521 /nfs/dbraw/zinc/62/65/21/872626521.db2.gz XOCRGPNXBGDHGB-ZIAGYGMSSA-N -1 3 374.459 0.960 10 0 FCAEHM CNS(=O)(=O)C[C@H]1CCCN(C(=O)Cc2c(C)nc(C)[n-]c2=O)C1 ZINC001331779792 873243919 /nfs/dbraw/zinc/24/39/19/873243919.db2.gz JOYAPQXOZXNAOI-LBPRGKRZSA-N -1 3 356.448 0.129 10 0 FCAEHM CC(C)(C)O[C@H]1C[C@@H](NC(=O)C(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC001332249607 873422332 /nfs/dbraw/zinc/42/23/32/873422332.db2.gz RPRLUYQCFWYASY-OCAPTIKFSA-N -1 3 363.340 0.902 10 0 FCAEHM COC(=O)N(C)CCCC(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000291640677 214048465 /nfs/dbraw/zinc/04/84/65/214048465.db2.gz VPHYNRMYDBGYOY-UHFFFAOYSA-N -1 3 350.375 1.000 10 0 FCAEHM CC1=C(C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)S(=O)(=O)CCO1 ZINC000292030844 214072833 /nfs/dbraw/zinc/07/28/33/214072833.db2.gz PYWHBAIJZMKTRV-UHFFFAOYSA-N -1 3 367.383 0.198 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H]2COC)cc1F ZINC000292468509 214102064 /nfs/dbraw/zinc/10/20/64/214102064.db2.gz CDJHLKDUOFLRNC-SNVBAGLBSA-N -1 3 366.436 0.997 10 0 FCAEHM NS(=O)(=O)CCCC[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000292817747 214126306 /nfs/dbraw/zinc/12/63/06/214126306.db2.gz NTOUVHYHYMFKRH-UHFFFAOYSA-N -1 3 361.367 0.447 10 0 FCAEHM C[C@@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000265953755 210256081 /nfs/dbraw/zinc/25/60/81/210256081.db2.gz OLGCIFOSRUYZFG-PRHODGIISA-N -1 3 355.391 0.730 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1cc(F)c(Cl)cc1N1CCOCC1 ZINC000293860588 214207248 /nfs/dbraw/zinc/20/72/48/214207248.db2.gz XUCCQQFWSPJXST-NSHDSACASA-N -1 3 370.768 0.852 10 0 FCAEHM CSc1ccc([C@@H](CNC(=O)C[C@@H]2NC(=O)[N-]C2=O)N(C)C)cc1 ZINC000294414730 214244306 /nfs/dbraw/zinc/24/43/06/214244306.db2.gz MZQJITWOEPYZMS-QWHCGFSZSA-N -1 3 350.444 0.726 10 0 FCAEHM CSc1ccc([C@H](CNC(=O)C[C@@H]2NC(=O)[N-]C2=O)N(C)C)cc1 ZINC000294414732 214244396 /nfs/dbraw/zinc/24/43/96/214244396.db2.gz MZQJITWOEPYZMS-STQMWFEESA-N -1 3 350.444 0.726 10 0 FCAEHM CC[C@H](NC(=O)C[N-]S(=O)(=O)c1ccccc1F)[C@@H](O)C(F)F ZINC000295370401 214293409 /nfs/dbraw/zinc/29/34/09/214293409.db2.gz DLEOMDRJPMJPOI-JOYOIKCWSA-N -1 3 354.350 0.625 10 0 FCAEHM CC[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1)[C@H](O)C(F)F ZINC000295370385 214293684 /nfs/dbraw/zinc/29/36/84/214293684.db2.gz DLDZIMMJYRIEFM-KOLCDFICSA-N -1 3 354.350 0.868 10 0 FCAEHM CC[C@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)[C@H](O)C(F)F ZINC000295578968 214306247 /nfs/dbraw/zinc/30/62/47/214306247.db2.gz WIHKHGFIGSEOGS-NRPADANISA-N -1 3 356.416 0.936 10 0 FCAEHM COc1ccc(S(=O)(=O)N2C[C@H](C)[C@H]2C)cc1[C@@]1(C)NC(=O)[N-]C1=O ZINC000297256910 214389505 /nfs/dbraw/zinc/38/95/05/214389505.db2.gz YMNDMBKAZYJYDO-YNHOBRIKSA-N -1 3 367.427 0.779 10 0 FCAEHM Cc1cc(CS(=O)(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)no1 ZINC000265812627 210225973 /nfs/dbraw/zinc/22/59/73/210225973.db2.gz QCTPDTSFUITVRE-UHFFFAOYSA-N -1 3 365.411 0.976 10 0 FCAEHM CN1C[C@H](NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)CCC1=O ZINC000265671417 210194470 /nfs/dbraw/zinc/19/44/70/210194470.db2.gz DSLLDWSOPIHEQE-CYBMUJFWSA-N -1 3 360.414 0.480 10 0 FCAEHM COC[C@@](C)([N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC)C(=O)OC ZINC000290771023 213991258 /nfs/dbraw/zinc/99/12/58/213991258.db2.gz ONORFLVFPBOPCI-CQSZACIVSA-N -1 3 363.388 0.539 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCCC1 ZINC000289838492 213907703 /nfs/dbraw/zinc/90/77/03/213907703.db2.gz LPTZORATADCCTO-VIFPVBQESA-N -1 3 358.416 0.972 10 0 FCAEHM CCCNC(=O)c1ccc(Cl)cc1NC(=O)CN1CC(=O)[N-]C1=O ZINC000265466052 210141995 /nfs/dbraw/zinc/14/19/95/210141995.db2.gz VNVQWZSOWZOUQU-UHFFFAOYSA-N -1 3 352.778 0.970 10 0 FCAEHM CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)CN2CC(=O)[N-]C2=O)C1 ZINC000264910191 210012650 /nfs/dbraw/zinc/01/26/50/210012650.db2.gz ZAVVEWVHPKGAHE-NSHDSACASA-N -1 3 354.407 0.302 10 0 FCAEHM CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)NC[C@@H]2CCCN2C)c1 ZINC000264903889 210012695 /nfs/dbraw/zinc/01/26/95/210012695.db2.gz MCMXICAKWOVSOM-ZDUSSCGKSA-N -1 3 368.459 0.841 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000264895632 210009413 /nfs/dbraw/zinc/00/94/13/210009413.db2.gz WFHRSELFPJSUIQ-GFCCVEGCSA-N -1 3 363.349 0.100 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000264876751 210005494 /nfs/dbraw/zinc/00/54/94/210005494.db2.gz RZLQXHJKMUVBBO-UHFFFAOYSA-N -1 3 362.361 0.052 10 0 FCAEHM O=C1CNC(=O)N1CCC[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000286883790 213555596 /nfs/dbraw/zinc/55/55/96/213555596.db2.gz NBOWKXQKCVYZNN-UHFFFAOYSA-N -1 3 366.321 0.321 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@]3(CCCOC3)C2)c(C)o1 ZINC000286171858 213457735 /nfs/dbraw/zinc/45/77/35/213457735.db2.gz BVNYTJSCNNSNIN-OAHLLOKOSA-N -1 3 358.416 0.518 10 0 FCAEHM Cc1nc(C)c(CCC(=O)N2CCN(CC(F)(F)F)C(=O)C2)c(=O)[n-]1 ZINC000285693876 213378393 /nfs/dbraw/zinc/37/83/93/213378393.db2.gz FZTVWZGXXWHPCD-UHFFFAOYSA-N -1 3 360.336 0.965 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CC(F)(F)C[C@@H]1CO ZINC000366691247 216017295 /nfs/dbraw/zinc/01/72/95/216017295.db2.gz QXCTZJVPMBZRML-VHSXEESVSA-N -1 3 366.361 0.721 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CC(F)(F)C[C@H]1CO ZINC000366691246 216017844 /nfs/dbraw/zinc/01/78/44/216017844.db2.gz QXCTZJVPMBZRML-UWVGGRQHSA-N -1 3 366.361 0.721 10 0 FCAEHM CCS(=O)(=O)CCN(C)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000366904519 216047287 /nfs/dbraw/zinc/04/72/87/216047287.db2.gz KIYSTJFEEYVXHK-CQSZACIVSA-N -1 3 368.455 0.890 10 0 FCAEHM O=C(C[N-]S(=O)(=O)C1CN(C(=O)c2ccccc2)C1)Nc1cccnc1 ZINC000368049333 216196662 /nfs/dbraw/zinc/19/66/62/216196662.db2.gz UVJJEXBFXFYFKE-UHFFFAOYSA-N -1 3 374.422 0.464 10 0 FCAEHM Cc1cc(N2CCC[C@H]([N-]S(=O)(=O)N3CCC[C@@H](C)C3)C2=O)n(C)n1 ZINC000246746789 209399669 /nfs/dbraw/zinc/39/96/69/209399669.db2.gz ATWPQLDHDOWPDU-OCCSQVGLSA-N -1 3 369.491 0.790 10 0 FCAEHM C[C@@H]1CCCN(S(=O)(=O)[N-][C@H]2CCCN(c3ccn(C)n3)C2=O)C1 ZINC000246118722 209378941 /nfs/dbraw/zinc/37/89/41/209378941.db2.gz IXFCQZDAMWKLAC-OLZOCXBDSA-N -1 3 355.464 0.482 10 0 FCAEHM CN(CC(=O)NC(C)(C)C)C(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000126303057 209363542 /nfs/dbraw/zinc/36/35/42/209363542.db2.gz WNQQJCPLXJIVJM-UHFFFAOYSA-N -1 3 360.414 0.453 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CC3(C2)CCOCC3)s1 ZINC000368296157 216229413 /nfs/dbraw/zinc/22/94/13/216229413.db2.gz KGXNXCLTUFVNPL-UHFFFAOYSA-N -1 3 359.473 0.978 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-][C@H]2CCCN(c3cccnc3)C2=O)C[C@H](C)O1 ZINC000368252035 216224343 /nfs/dbraw/zinc/22/43/43/216224343.db2.gz HQRHRIRGGICBGF-GUTXKFCHSA-N -1 3 368.459 0.521 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@@H]3CC[C@H](OC)C[C@H]32)cn1 ZINC000368361214 216238448 /nfs/dbraw/zinc/23/84/48/216238448.db2.gz MLIAQSWJQRPPOV-BFHYXJOUSA-N -1 3 369.443 0.398 10 0 FCAEHM Cc1nc(C)c(S(=O)(=O)[N-][C@H]2CCN(C3CCOCC3)C2=O)s1 ZINC000368454971 216249155 /nfs/dbraw/zinc/24/91/55/216249155.db2.gz WZHDGSKATCXBGT-LBPRGKRZSA-N -1 3 359.473 0.818 10 0 FCAEHM O=C1[N-]C(=O)[C@]2(CCCN(Cc3nc(=O)c4c5c(sc4[nH]3)CCC5)C2)N1 ZINC000192635307 209303209 /nfs/dbraw/zinc/30/32/09/209303209.db2.gz JLZXOZUUQAFFGW-QGZVFWFLSA-N -1 3 373.438 0.647 10 0 FCAEHM C[C@H](C(=O)N1CCc2sccc2C1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000192644900 209302142 /nfs/dbraw/zinc/30/21/42/209302142.db2.gz FKYMSANSSRXUKK-PIGZYNQJSA-N -1 3 362.455 0.695 10 0 FCAEHM Cn1ccc([C@@H](NC(=O)CN2CC(=O)[N-]C2=O)c2ccc(Cl)cc2)n1 ZINC000368854685 216308603 /nfs/dbraw/zinc/30/86/03/216308603.db2.gz OYRSTOPCEZVMKZ-HNNXBMFYSA-N -1 3 361.789 0.831 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC12CCOCC2 ZINC000369121960 216351268 /nfs/dbraw/zinc/35/12/68/216351268.db2.gz LVIPCXAHNINWND-UHFFFAOYSA-N -1 3 360.457 0.538 10 0 FCAEHM CNS(=O)(=O)CCNCc1cc(Br)c([O-])c(OC)c1 ZINC000190315571 209270719 /nfs/dbraw/zinc/27/07/19/209270719.db2.gz PGMVTDFPMSZJER-UHFFFAOYSA-N -1 3 353.238 0.802 10 0 FCAEHM Cc1cc(N2CCC[C@@H]([N-]S(=O)(=O)c3cn(C)c(C)n3)C2)n(C)n1 ZINC000277708735 212390454 /nfs/dbraw/zinc/39/04/54/212390454.db2.gz MJVVFLFFNIWVTM-CYBMUJFWSA-N -1 3 352.464 0.718 10 0 FCAEHM C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1cn(C)c(=O)[n-]c1=O ZINC000277403961 212356473 /nfs/dbraw/zinc/35/64/73/212356473.db2.gz FAXAXXHQUJBNCL-JQWIXIFHSA-N -1 3 366.418 0.861 10 0 FCAEHM C[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)[N-]C2=O)C[C@H]1NC(=O)OC(C)(C)C ZINC000277317366 212350014 /nfs/dbraw/zinc/35/00/14/212350014.db2.gz AIGRGXLZIOEQKP-OUAUKWLOSA-N -1 3 354.407 0.346 10 0 FCAEHM Cn1cc(C(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)c(=O)[n-]c1=O ZINC000276857435 212298811 /nfs/dbraw/zinc/29/88/11/212298811.db2.gz LZAPIIXSRMBMPJ-ZDUSSCGKSA-N -1 3 360.345 0.156 10 0 FCAEHM CCOC(=O)c1cn[n-]c1S(=O)(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)OC ZINC000276177664 212178246 /nfs/dbraw/zinc/17/82/46/212178246.db2.gz VCNIKZWBRRIEKE-UMNHJUIQSA-N -1 3 371.415 0.549 10 0 FCAEHM CCOC(=O)c1c[n-]nc1S(=O)(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)OC ZINC000276177664 212178251 /nfs/dbraw/zinc/17/82/51/212178251.db2.gz VCNIKZWBRRIEKE-UMNHJUIQSA-N -1 3 371.415 0.549 10 0 FCAEHM CCOC(=O)c1cn[n-]c1S(=O)(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)OC ZINC000276177657 212178315 /nfs/dbraw/zinc/17/83/15/212178315.db2.gz VCNIKZWBRRIEKE-JBLDHEPKSA-N -1 3 371.415 0.549 10 0 FCAEHM CCOC(=O)c1c[n-]nc1S(=O)(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)OC ZINC000276177657 212178318 /nfs/dbraw/zinc/17/83/18/212178318.db2.gz VCNIKZWBRRIEKE-JBLDHEPKSA-N -1 3 371.415 0.549 10 0 FCAEHM CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)C[C@@H]3NC(=O)[N-]C3=O)[C@@H]2C1 ZINC000373341709 217009452 /nfs/dbraw/zinc/00/94/52/217009452.db2.gz QDWABFXPYSSXTJ-OUAUKWLOSA-N -1 3 352.391 0.052 10 0 FCAEHM Cc1cc(N2CCC[C@H]([N-]S(=O)(=O)N3CCC[C@@H]3C)C2=O)n(C)n1 ZINC000185035574 209171087 /nfs/dbraw/zinc/17/10/87/209171087.db2.gz ISKOATFDALYLJT-STQMWFEESA-N -1 3 355.464 0.543 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](n3cc(C)cn3)C2)cn1 ZINC000184880791 209169093 /nfs/dbraw/zinc/16/90/93/209169093.db2.gz NKFVUJKLGAPVSK-AWEZNQCLSA-N -1 3 363.443 0.972 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2Cc3ccccc3C3(CC3)C2)c1 ZINC000184672692 209165126 /nfs/dbraw/zinc/16/51/26/209165126.db2.gz DHJIQVRVJMZRKN-UHFFFAOYSA-N -1 3 360.439 0.772 10 0 FCAEHM CN(C(=O)CN1CC(=O)[N-]C1=O)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000275289632 212001377 /nfs/dbraw/zinc/00/13/77/212001377.db2.gz WXFNFEPNKFJCJN-SMDDNHRTSA-N -1 3 372.208 0.962 10 0 FCAEHM CN(C(=O)CN1CC(=O)[N-]C1=O)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000275289625 212001439 /nfs/dbraw/zinc/00/14/39/212001439.db2.gz WXFNFEPNKFJCJN-BXUZGUMPSA-N -1 3 372.208 0.962 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000184126358 209157230 /nfs/dbraw/zinc/15/72/30/209157230.db2.gz VDXUQAMGTLEWQN-VIFPVBQESA-N -1 3 359.308 0.617 10 0 FCAEHM O=C(CCc1ccc2c(c1)OCCO2)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000373832542 217065722 /nfs/dbraw/zinc/06/57/22/217065722.db2.gz OJVCLFJWKPJPER-GOSISDBHSA-N -1 3 359.382 0.591 10 0 FCAEHM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C[N-]S(=O)(=O)c2cccs2)CC1=O ZINC000374139886 217100175 /nfs/dbraw/zinc/10/01/75/217100175.db2.gz GAGGRUAHSMICIJ-MXWKQRLJSA-N -1 3 357.457 0.152 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCO[C@H](C2CC2)C1 ZINC000374205981 217108036 /nfs/dbraw/zinc/10/80/36/217108036.db2.gz RZTMUFXXYBGLBS-LBPRGKRZSA-N -1 3 360.457 0.394 10 0 FCAEHM Cc1nc2c(s1)[C@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)CCC2 ZINC000374751094 217167991 /nfs/dbraw/zinc/16/79/91/217167991.db2.gz GTQUNICEVHKJFR-LLVKDONJSA-N -1 3 369.472 0.657 10 0 FCAEHM O=C(/C=C/c1cncc([O-])c1)N1CCCN(CC(=O)N2CCCC2)CC1 ZINC000182012025 209125137 /nfs/dbraw/zinc/12/51/37/209125137.db2.gz KIAIUSMJTJSTSW-SNAWJCMRSA-N -1 3 358.442 0.957 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N3CCCC34CCC4)cnc21 ZINC000375521494 217280168 /nfs/dbraw/zinc/28/01/68/217280168.db2.gz HXFVPXVEMHUCTP-UHFFFAOYSA-N -1 3 350.400 0.741 10 0 FCAEHM O=C(c1cc(Cl)c[nH]1)N1CCC([N-]S(=O)(=O)c2c[nH]cn2)CC1 ZINC000375622184 217292006 /nfs/dbraw/zinc/29/20/06/217292006.db2.gz BNEWQWHQJNHAOU-UHFFFAOYSA-N -1 3 357.823 0.974 10 0 FCAEHM COc1cccc(N2C[C@H](NC(=O)c3cn(C)c(=O)[n-]c3=O)CC2=O)c1 ZINC000375780485 217312643 /nfs/dbraw/zinc/31/26/43/217312643.db2.gz YLHLDVFDYKETSZ-SNVBAGLBSA-N -1 3 358.354 0.030 10 0 FCAEHM O=C1[N-]C(=O)[C@]2(CCCN(S(=O)(=O)c3cccc4ncccc43)C2)N1 ZINC000375871030 217328469 /nfs/dbraw/zinc/32/84/69/217328469.db2.gz BKDMVEZEUSFRFG-MRXNPFEDSA-N -1 3 360.395 0.598 10 0 FCAEHM C[C@](O)(C[N-]S(=O)(=O)C1CN(C(=O)c2ccccc2)C1)C(F)(F)F ZINC000376614008 217422062 /nfs/dbraw/zinc/42/20/62/217422062.db2.gz CKISWIHWCQZJKX-ZDUSSCGKSA-N -1 3 366.361 0.744 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@H]2C[C@@]2(F)c2ccccc2)cn1C ZINC000425009973 247284679 /nfs/dbraw/zinc/28/46/79/247284679.db2.gz QECZMVQEPLGSAE-XJKSGUPXSA-N -1 3 366.418 0.760 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCC(=O)N(C)C2=O)c(Cl)c1 ZINC000425222345 247309514 /nfs/dbraw/zinc/30/95/14/247309514.db2.gz LTGDJDZFBODTRC-JTQLQIEISA-N -1 3 374.802 0.552 10 0 FCAEHM Cc1cc(N2CCC[C@H]([N-]S(=O)(=O)N3CCC(C)CC3)C2=O)n(C)n1 ZINC000408416471 217773601 /nfs/dbraw/zinc/77/36/01/217773601.db2.gz UFKPNVWONDCZNC-AWEZNQCLSA-N -1 3 369.491 0.790 10 0 FCAEHM C[C@]1(c2cccc(NS(=O)(=O)c3c[nH]c(=O)s3)c2)NC(=O)[N-]C1=O ZINC000436480807 248041184 /nfs/dbraw/zinc/04/11/84/248041184.db2.gz YGUUCUCEFSCEBL-CYBMUJFWSA-N -1 3 368.396 0.704 10 0 FCAEHM CCNC(=O)c1ccc(N2CCN(C(=O)c3ccccc3[O-])CC2)nn1 ZINC000436859416 248053270 /nfs/dbraw/zinc/05/32/70/248053270.db2.gz KPAYLOKMGAMKJE-UHFFFAOYSA-N -1 3 355.398 0.894 10 0 FCAEHM C/C=C\C[C@H]([N-]S(=O)(=O)N1CCC[C@@H]1C(=O)OCC)C(=O)OCC ZINC000440089125 248155781 /nfs/dbraw/zinc/15/57/81/248155781.db2.gz CPBANSDTJDEURC-CZESERPMSA-N -1 3 362.448 0.746 10 0 FCAEHM COC(C)(C)CS(=O)(=O)[N-]c1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC000439258934 248116232 /nfs/dbraw/zinc/11/62/32/248116232.db2.gz MOINYRVEHJBQQK-OAHLLOKOSA-N -1 3 355.416 0.908 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCc1ccc(C(N)=O)nc1 ZINC000440666443 248202999 /nfs/dbraw/zinc/20/29/99/248202999.db2.gz BJDVMDOXMGFGOJ-UHFFFAOYSA-N -1 3 366.381 0.975 10 0 FCAEHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N(C)CC(=O)NC(C)(C)C ZINC000441646658 248258340 /nfs/dbraw/zinc/25/83/40/248258340.db2.gz LSBPGTNOQCLBFI-UHFFFAOYSA-N -1 3 355.416 0.846 10 0 FCAEHM Cn1nccc1CNC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000441193945 248243172 /nfs/dbraw/zinc/24/31/72/248243172.db2.gz BBADGDXHHVKQRD-UHFFFAOYSA-N -1 3 373.385 0.476 10 0 FCAEHM COC(=O)C[C@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)C(=O)OC ZINC000442736060 248294423 /nfs/dbraw/zinc/29/44/23/248294423.db2.gz KGILFABPZOBQNZ-QMMMGPOBSA-N -1 3 370.305 0.483 10 0 FCAEHM COC(=O)[C@H](C[N-]S(=O)(=O)[C@@H]1CCO[C@@H]1C)Oc1ccc(F)cc1 ZINC000442754264 248295252 /nfs/dbraw/zinc/29/52/52/248295252.db2.gz HXNOUCZQVMSGHU-DDTOSNHZSA-N -1 3 361.391 0.843 10 0 FCAEHM CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F)[C@H]1CCNC1=O ZINC000443032884 248303747 /nfs/dbraw/zinc/30/37/47/248303747.db2.gz LZYQBCUJSQSXIK-JQWIXIFHSA-N -1 3 357.407 0.230 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@H](O)Cc1ccccc1 ZINC000443230711 248312986 /nfs/dbraw/zinc/31/29/86/248312986.db2.gz YWQFPPZUQIOGHV-CQSZACIVSA-N -1 3 369.464 0.972 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@@H](O)C1CCOCC1 ZINC000443277335 248318602 /nfs/dbraw/zinc/31/86/02/248318602.db2.gz NKSWBMRQSAIQPO-GFCCVEGCSA-N -1 3 363.457 0.156 10 0 FCAEHM C[C@@H](O)CN(C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F)[C@@H](C)CO ZINC000443789257 248340076 /nfs/dbraw/zinc/34/00/76/248340076.db2.gz LIXRMEOXLQZQOA-TUAOUCFPSA-N -1 3 362.423 0.083 10 0 FCAEHM CO[C@H]1COCC[C@H]1CNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000452654329 249326679 /nfs/dbraw/zinc/32/66/79/249326679.db2.gz UTQFHSIUZCULDV-OBJOEFQTSA-N -1 3 374.434 0.660 10 0 FCAEHM COc1nnc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)[n-]1 ZINC000271318998 211377268 /nfs/dbraw/zinc/37/72/68/211377268.db2.gz WUSKDBGLHWHIGF-VIFPVBQESA-N -1 3 359.342 0.576 10 0 FCAEHM COc1nc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)n[n-]1 ZINC000271318998 211377271 /nfs/dbraw/zinc/37/72/71/211377271.db2.gz WUSKDBGLHWHIGF-VIFPVBQESA-N -1 3 359.342 0.576 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)n1 ZINC000271318998 211377276 /nfs/dbraw/zinc/37/72/76/211377276.db2.gz WUSKDBGLHWHIGF-VIFPVBQESA-N -1 3 359.342 0.576 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@H](CO)c1ccc(Br)cc1 ZINC000271311258 211376860 /nfs/dbraw/zinc/37/68/60/211376860.db2.gz MNAHZCZQCKOTQE-SNVBAGLBSA-N -1 3 356.176 0.151 10 0 FCAEHM COc1n[n-]c(NC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)n1 ZINC000271252670 211363614 /nfs/dbraw/zinc/36/36/14/211363614.db2.gz HPYZYRXGQAPPKV-UHFFFAOYSA-N -1 3 351.388 0.815 10 0 FCAEHM COc1nnc(NC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)[n-]1 ZINC000271252670 211363602 /nfs/dbraw/zinc/36/36/02/211363602.db2.gz HPYZYRXGQAPPKV-UHFFFAOYSA-N -1 3 351.388 0.815 10 0 FCAEHM COc1nc(NC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)n[n-]1 ZINC000271252670 211363606 /nfs/dbraw/zinc/36/36/06/211363606.db2.gz HPYZYRXGQAPPKV-UHFFFAOYSA-N -1 3 351.388 0.815 10 0 FCAEHM CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1nnc(SCCO)[n-]1 ZINC000270933172 211300982 /nfs/dbraw/zinc/30/09/82/211300982.db2.gz YMPUPQDTNFJZIJ-IUCAKERBSA-N -1 3 359.477 0.775 10 0 FCAEHM CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1nc(SCCO)n[n-]1 ZINC000270933172 211300984 /nfs/dbraw/zinc/30/09/84/211300984.db2.gz YMPUPQDTNFJZIJ-IUCAKERBSA-N -1 3 359.477 0.775 10 0 FCAEHM CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1n[n-]c(SCCO)n1 ZINC000270933172 211300988 /nfs/dbraw/zinc/30/09/88/211300988.db2.gz YMPUPQDTNFJZIJ-IUCAKERBSA-N -1 3 359.477 0.775 10 0 FCAEHM CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1nnc(SCCO)[n-]1 ZINC000270933171 211300872 /nfs/dbraw/zinc/30/08/72/211300872.db2.gz YMPUPQDTNFJZIJ-DTWKUNHWSA-N -1 3 359.477 0.775 10 0 FCAEHM CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1nc(SCCO)n[n-]1 ZINC000270933171 211300874 /nfs/dbraw/zinc/30/08/74/211300874.db2.gz YMPUPQDTNFJZIJ-DTWKUNHWSA-N -1 3 359.477 0.775 10 0 FCAEHM CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1n[n-]c(SCCO)n1 ZINC000270933171 211300876 /nfs/dbraw/zinc/30/08/76/211300876.db2.gz YMPUPQDTNFJZIJ-DTWKUNHWSA-N -1 3 359.477 0.775 10 0 FCAEHM CCCCS(=O)(=O)Nc1ccc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000270791765 211268836 /nfs/dbraw/zinc/26/88/36/211268836.db2.gz JZGAMEFESCKDJF-LBPRGKRZSA-N -1 3 368.415 0.765 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1ccc(NC[C@H]2CCCO2)c(F)c1 ZINC000270571393 211225588 /nfs/dbraw/zinc/22/55/88/211225588.db2.gz HFBONWZYHOFGDO-MFKMUULPSA-N -1 3 350.350 0.953 10 0 FCAEHM COC(=O)[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccn(C)n1 ZINC000470758788 250061094 /nfs/dbraw/zinc/06/10/94/250061094.db2.gz ZNWCEQHLQWZEFF-CYBMUJFWSA-N -1 3 366.399 0.436 10 0 FCAEHM COC(=O)C[C@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1ccc(SC)cc1 ZINC000270184862 211164367 /nfs/dbraw/zinc/16/43/67/211164367.db2.gz AYNSRXCUNUFINO-RYUDHWBXSA-N -1 3 365.411 0.727 10 0 FCAEHM CN(C)C(=O)CCN1CCN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)CC1 ZINC000471567424 250107800 /nfs/dbraw/zinc/10/78/00/250107800.db2.gz WCIRDVUKFXORKL-UHFFFAOYSA-N -1 3 373.413 0.198 10 0 FCAEHM CN1CCN(c2ncccc2CNC(=O)NCc2ncccc2[O-])CC1 ZINC000471728243 250116728 /nfs/dbraw/zinc/11/67/28/250116728.db2.gz REMXIVZCOODNTF-UHFFFAOYSA-N -1 3 356.430 0.933 10 0 FCAEHM CNC(=O)c1cc2cc(NC(=O)C(=O)NCc3ncccc3[O-])ccc2[nH]1 ZINC000473049142 250197414 /nfs/dbraw/zinc/19/74/14/250197414.db2.gz MQDRCTBMOJOMIO-UHFFFAOYSA-N -1 3 367.365 0.883 10 0 FCAEHM CCc1c(C(=O)NCc2ncccc2[O-])cnc2c1c(=O)n(C)c(=O)n2C ZINC000473640458 250243556 /nfs/dbraw/zinc/24/35/56/250243556.db2.gz SCJYIVMJAJZNIX-UHFFFAOYSA-N -1 3 369.381 0.225 10 0 FCAEHM O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000473928002 250257474 /nfs/dbraw/zinc/25/74/74/250257474.db2.gz LNZKUXWGRFZNDR-ZIAGYGMSSA-N -1 3 368.397 0.904 10 0 FCAEHM O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000473928002 250257476 /nfs/dbraw/zinc/25/74/76/250257476.db2.gz LNZKUXWGRFZNDR-ZIAGYGMSSA-N -1 3 368.397 0.904 10 0 FCAEHM CC1(C)NC(=O)N(CCCC(=O)Nc2ccc(Cc3nnn[n-]3)cc2)C1=O ZINC000473940903 250259518 /nfs/dbraw/zinc/25/95/18/250259518.db2.gz NWFGQKDYRBZWDM-UHFFFAOYSA-N -1 3 371.401 0.840 10 0 FCAEHM CC1(C)NC(=O)N(CCCC(=O)Nc2ccc(Cc3nn[n-]n3)cc2)C1=O ZINC000473940903 250259522 /nfs/dbraw/zinc/25/95/22/250259522.db2.gz NWFGQKDYRBZWDM-UHFFFAOYSA-N -1 3 371.401 0.840 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H](CO)C1CCOCC1 ZINC000481586147 250343952 /nfs/dbraw/zinc/34/39/52/250343952.db2.gz XGCQBYMPSKIAOA-GFCCVEGCSA-N -1 3 363.457 0.156 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H]1CC(=O)N(C2CC2)C1 ZINC000481380484 250333952 /nfs/dbraw/zinc/33/39/52/250333952.db2.gz YTNUPDFYBBMXGA-JTQLQIEISA-N -1 3 358.441 0.132 10 0 FCAEHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]CCCN1CCCC1=O ZINC000269679096 211042192 /nfs/dbraw/zinc/04/21/92/211042192.db2.gz RVKUCJNHTUVNSJ-UHFFFAOYSA-N -1 3 358.391 0.903 10 0 FCAEHM CC(C)(COc1ccc(C(F)(F)F)cn1)NC(=O)CN1CC(=O)[N-]C1=O ZINC000269533197 211001807 /nfs/dbraw/zinc/00/18/07/211001807.db2.gz RTPNXKXBYNGZTA-UHFFFAOYSA-N -1 3 374.319 0.926 10 0 FCAEHM Cc1nc(C)c(CCC(=O)N[C@@H]2CCCN(c3ncccn3)C2)c(=O)[n-]1 ZINC000079283905 208088553 /nfs/dbraw/zinc/08/85/53/208088553.db2.gz KXOCOAICXCTSRV-CQSZACIVSA-N -1 3 356.430 0.895 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)Nc2ccc3c(c2)CCCN3C)c1 ZINC000088670464 208119080 /nfs/dbraw/zinc/11/90/80/208119080.db2.gz FXHKBHDGRHSQGW-UHFFFAOYSA-N -1 3 363.443 0.720 10 0 FCAEHM CC(C)N1CCO[C@H](CN2CCN(Cc3cc(=O)n4[n-]ccc4n3)CC2)C1 ZINC000108867512 208251606 /nfs/dbraw/zinc/25/16/06/208251606.db2.gz GGODSMVOICTZTJ-QGZVFWFLSA-N -1 3 374.489 0.249 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCC(CN2CCc3ccccc32)CC1 ZINC000111650975 208282295 /nfs/dbraw/zinc/28/22/95/208282295.db2.gz UIMFDFPLEURDJQ-UHFFFAOYSA-N -1 3 356.426 0.840 10 0 FCAEHM COCC[C@](C)(O)CNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000266562162 210357222 /nfs/dbraw/zinc/35/72/22/210357222.db2.gz QUHHNYYWQKTTAE-NHYWBVRUSA-N -1 3 362.423 0.396 10 0 FCAEHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCN(C(=O)C(C)C)CC1 ZINC000266536181 210353018 /nfs/dbraw/zinc/35/30/18/210353018.db2.gz KVCVWZZGJVYZCY-UHFFFAOYSA-N -1 3 367.427 0.800 10 0 FCAEHM CCOCCC(=O)N1C[C@H]2CN(Cc3[nH]cnc3C)C[C@@]2(C(=O)[O-])C1 ZINC000091998084 209011704 /nfs/dbraw/zinc/01/17/04/209011704.db2.gz PGPOFXGMFFYHBR-CXAGYDPISA-N -1 3 350.419 0.490 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000178562296 209052382 /nfs/dbraw/zinc/05/23/82/209052382.db2.gz RDORCJZDNDUTDL-WMZOPIPTSA-N -1 3 365.389 0.854 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000178316741 229222786 /nfs/dbraw/zinc/22/27/86/229222786.db2.gz LQLFXAWVYCGIQK-UWVGGRQHSA-N -1 3 356.220 0.948 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCC[C@H](O)C(F)(F)F ZINC000410060170 230055876 /nfs/dbraw/zinc/05/58/76/230055876.db2.gz VLFZGMMNOPIAGO-LURJTMIESA-N -1 3 374.113 0.141 10 0 FCAEHM C[C@@]1(c2ccc(C(=O)NCC[C@H](O)C(F)(F)F)cc2)NC(=O)[N-]C1=O ZINC000410063557 230057151 /nfs/dbraw/zinc/05/71/51/230057151.db2.gz WLKRCNJBSSPOSI-HZMBPMFUSA-N -1 3 359.304 0.784 10 0 FCAEHM CN1CCN(C(=O)CN2CC(=O)[N-]C2=O)c2ccc(Br)cc21 ZINC000287500974 488875789 /nfs/dbraw/zinc/87/57/89/488875789.db2.gz UOLZALIWCCSZMB-UHFFFAOYSA-N -1 3 367.203 0.784 10 0 FCAEHM C[C@@H]1C[C@@H](NC(=O)CN2CC(=O)[N-]C2=O)CCN1C(=O)OC(C)(C)C ZINC000278450404 488875808 /nfs/dbraw/zinc/87/58/08/488875808.db2.gz XLTNVMAPAPPZDE-MNOVXSKESA-N -1 3 354.407 0.442 10 0 FCAEHM COC(=O)[C@H](CF)[N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000287528729 488877902 /nfs/dbraw/zinc/87/79/02/488877902.db2.gz UJJMKBWZEXLGDO-VIFPVBQESA-N -1 3 373.811 0.533 10 0 FCAEHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H](CO)C[C@@H](O)C(C)(C)C)s1 ZINC000287482474 488874009 /nfs/dbraw/zinc/87/40/09/488874009.db2.gz SWNCVHFRCKYDSE-NXEZZACHSA-N -1 3 365.477 0.538 10 0 FCAEHM NC(=O)C1(O)CCN(C(=O)Cc2ccc(Br)cc2[O-])CC1 ZINC000614517342 492036643 /nfs/dbraw/zinc/03/66/43/492036643.db2.gz HHZRXQDAJGTGFV-UHFFFAOYSA-N -1 3 357.204 0.536 10 0 FCAEHM CCn1cc(S(=O)(=O)[N-]Cc2ccc(S(N)(=O)=O)cc2)nc1C ZINC000320306595 488899966 /nfs/dbraw/zinc/89/99/66/488899966.db2.gz ULXRHZKFFMVZCT-UHFFFAOYSA-N -1 3 358.445 0.337 10 0 FCAEHM Cc1ccc(S(=O)(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c2cccnc12 ZINC000278799153 488896693 /nfs/dbraw/zinc/89/66/93/488896693.db2.gz RHZXRPPTOLWBIX-QGZVFWFLSA-N -1 3 374.422 0.906 10 0 FCAEHM CCN(Cc1ccccc1)S(=O)(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000278810037 488897098 /nfs/dbraw/zinc/89/70/98/488897098.db2.gz SECDAXINBOJSFB-MRXNPFEDSA-N -1 3 366.443 0.427 10 0 FCAEHM COc1ccc(-n2cc(C[N-]S(=O)(=O)C[C@H]3CCCO3)nn2)cc1 ZINC000364011301 488912915 /nfs/dbraw/zinc/91/29/15/488912915.db2.gz QQZDPGAZBWITQO-OAHLLOKOSA-N -1 3 352.416 0.874 10 0 FCAEHM COC(=O)c1ccccc1N(C)C(=O)CN1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279055019 488914134 /nfs/dbraw/zinc/91/41/34/488914134.db2.gz KWKQZFMDXDQTBY-SFHVURJKSA-N -1 3 374.397 0.110 10 0 FCAEHM CCNC(=O)c1cccc(NC(=O)CN2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000279063693 488914874 /nfs/dbraw/zinc/91/48/74/488914874.db2.gz LXLFBXDKFASDCD-SFHVURJKSA-N -1 3 373.413 0.049 10 0 FCAEHM COc1cccc(S(=O)(=O)CCN2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000279119373 488918750 /nfs/dbraw/zinc/91/87/50/488918750.db2.gz ULSMLXJDKBGOQD-MRXNPFEDSA-N -1 3 367.427 0.143 10 0 FCAEHM COC(=O)c1sccc1NC(=O)CN1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279084819 488916000 /nfs/dbraw/zinc/91/60/00/488916000.db2.gz OLROPFFYKGPGMJ-HNNXBMFYSA-N -1 3 366.399 0.147 10 0 FCAEHM COCc1ccccc1CNC(=O)CN1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279102092 488917400 /nfs/dbraw/zinc/91/74/00/488917400.db2.gz REPLUSAWYDWTDT-GOSISDBHSA-N -1 3 360.414 0.123 10 0 FCAEHM COc1cccc(S(=O)(=O)CCN2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000279119371 488917969 /nfs/dbraw/zinc/91/79/69/488917969.db2.gz ULSMLXJDKBGOQD-INIZCTEOSA-N -1 3 367.427 0.143 10 0 FCAEHM Cc1cccc(OCCNC(=O)CN2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000279148591 488920248 /nfs/dbraw/zinc/92/02/48/488920248.db2.gz YKOWPDBETPFPBH-GOSISDBHSA-N -1 3 360.414 0.164 10 0 FCAEHM CN(Cc1cc(=O)[n-]c(N)n1)[C@H]1CCN(C(=O)CCCn2cccc2)C1 ZINC000328648444 488926612 /nfs/dbraw/zinc/92/66/12/488926612.db2.gz UOFGHGLVHKPFED-HNNXBMFYSA-N -1 3 358.446 1.079 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CC(F)(F)C[C@H]2CO)s1 ZINC000364185168 488932391 /nfs/dbraw/zinc/93/23/91/488932391.db2.gz XRHWLSHQLIDLPG-QMMMGPOBSA-N -1 3 369.415 0.568 10 0 FCAEHM CC(C)(C)C(=O)N1CSC[C@H]1C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279343803 488933803 /nfs/dbraw/zinc/93/38/03/488933803.db2.gz BYFNEOCYJPZKEZ-QFYYESIMSA-N -1 3 368.459 0.135 10 0 FCAEHM CCOC(=O)c1cnc(NC(=O)c2ccc(S(=O)(=O)[N-]C)nc2)n1C ZINC000288035710 488935642 /nfs/dbraw/zinc/93/56/42/488935642.db2.gz RCIFEQHHJFFJFH-UHFFFAOYSA-N -1 3 367.387 0.152 10 0 FCAEHM O=C(COc1ccc2ccc(=O)oc2c1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279400830 488939521 /nfs/dbraw/zinc/93/95/21/488939521.db2.gz GVTOHFMHCVJWFQ-SFHVURJKSA-N -1 3 371.349 0.372 10 0 FCAEHM COC(=O)[C@@H](C)Oc1ccc(CN2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000279383026 488937737 /nfs/dbraw/zinc/93/77/37/488937737.db2.gz JHXAVMOKCINUIE-XIKOKIGWSA-N -1 3 361.398 0.801 10 0 FCAEHM CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279388881 488938275 /nfs/dbraw/zinc/93/82/75/488938275.db2.gz FYRWAENTTQQDRH-MMPTUQATSA-N -1 3 368.459 0.135 10 0 FCAEHM COc1ccc(-n2ccc(C(=O)N3CCC[C@@]4(C3)NC(=O)[N-]C4=O)n2)cc1 ZINC000279483196 488945739 /nfs/dbraw/zinc/94/57/39/488945739.db2.gz MRLQSJJTMDLADT-SFHVURJKSA-N -1 3 369.381 0.695 10 0 FCAEHM CSc1nc(C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c2ccccn21 ZINC000279526018 488950201 /nfs/dbraw/zinc/95/02/01/488950201.db2.gz PUNXRIIVMRDSQD-MRXNPFEDSA-N -1 3 359.411 0.870 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC000279588938 488954200 /nfs/dbraw/zinc/95/42/00/488954200.db2.gz UFMNWOJRWVRUFM-ZBEGNZNMSA-N -1 3 369.418 0.231 10 0 FCAEHM COc1ccc(C=CC(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1OC ZINC000279623606 488957674 /nfs/dbraw/zinc/95/76/74/488957674.db2.gz XNRZLEQODNWPIB-FZMUQLTDSA-N -1 3 359.382 0.918 10 0 FCAEHM O=C(CN1C(=O)CSc2ccccc21)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279638509 488958821 /nfs/dbraw/zinc/95/88/21/488958821.db2.gz YTHXPFAINSFFPW-QGZVFWFLSA-N -1 3 374.422 0.326 10 0 FCAEHM COC(=O)CC1(CS(=O)(=O)[N-][C@H]2COc3ccccc3[C@H]2O)CC1 ZINC000288301380 488967679 /nfs/dbraw/zinc/96/76/79/488967679.db2.gz DEUXYLFEUWAUNC-SWLSCSKDSA-N -1 3 355.412 0.744 10 0 FCAEHM O=C(CC[C@@H]1NC(=O)[N-]C1=O)NCc1ccc(N2CCCCC2=O)cc1 ZINC000053351842 488198119 /nfs/dbraw/zinc/19/81/19/488198119.db2.gz PNYJFHFUZYWJNV-AWEZNQCLSA-N -1 3 358.398 0.808 10 0 FCAEHM CNC(=O)C1CCC([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)CC1 ZINC000063310828 488304247 /nfs/dbraw/zinc/30/42/47/488304247.db2.gz YRWZBNPAYSUVEC-UHFFFAOYSA-N -1 3 374.484 0.673 10 0 FCAEHM C[C@H]1CC[C@H](C(N)=O)CN1C(=O)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000068097290 488360494 /nfs/dbraw/zinc/36/04/94/488360494.db2.gz KPPAKYKTBYZCRG-RYUDHWBXSA-N -1 3 370.409 0.370 10 0 FCAEHM COC[C@H](O)C[N-]S(=O)(=O)c1cc(Br)ccc1OC ZINC000071270770 488376903 /nfs/dbraw/zinc/37/69/03/488376903.db2.gz SGMWNDUPGGFVRL-SECBINFHSA-N -1 3 354.222 0.743 10 0 FCAEHM CCOc1ccc(CNC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)cc1F ZINC000268174378 488393279 /nfs/dbraw/zinc/39/32/79/488393279.db2.gz VNNUDKNDPJCCJU-UHFFFAOYSA-N -1 3 370.406 0.553 10 0 FCAEHM Cn1cnc2c1c(=O)n(CCC[S@@](=O)c1cccc([O-])c1)c(=O)n2C ZINC000184039252 488394607 /nfs/dbraw/zinc/39/46/07/488394607.db2.gz IUMGRGZOAUUBIN-RUZDIDTESA-N -1 3 362.411 0.337 10 0 FCAEHM CN(CCc1ccc(F)cc1)C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000268188535 488394800 /nfs/dbraw/zinc/39/48/00/488394800.db2.gz XCLPMLYDNPKFHZ-UHFFFAOYSA-N -1 3 354.407 0.539 10 0 FCAEHM Cc1ccc([C@H](C)CNC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)cc1 ZINC000268202104 488395923 /nfs/dbraw/zinc/39/59/23/488395923.db2.gz YTEZVGOCJRKEKJ-CYBMUJFWSA-N -1 3 350.444 0.927 10 0 FCAEHM CCOC(=O)C(C)(C)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000268410590 488416343 /nfs/dbraw/zinc/41/63/43/488416343.db2.gz SYTSEZDTVNAPOS-UHFFFAOYSA-N -1 3 367.420 0.849 10 0 FCAEHM CC(=O)N1CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)[C@@H](C)C1 ZINC000268711472 488444173 /nfs/dbraw/zinc/44/41/73/488444173.db2.gz IIKXGEXQHICDKM-QWRGUYRKSA-N -1 3 359.473 0.494 10 0 FCAEHM CCNC(=O)N1CC[C@H](NC(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)C1 ZINC000269092089 488468752 /nfs/dbraw/zinc/46/87/52/488468752.db2.gz HORYRBJZAXMXRF-UGSOOPFHSA-N -1 3 373.413 0.275 10 0 FCAEHM C[C@]1(c2cccc(C(=O)NCCCN3CCOC3=O)c2)NC(=O)[N-]C1=O ZINC000269191911 488477665 /nfs/dbraw/zinc/47/76/65/488477665.db2.gz FMGYBYHEWMVESQ-QGZVFWFLSA-N -1 3 360.370 0.313 10 0 FCAEHM CN([C@@H]1CCOC1)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000269360386 488495646 /nfs/dbraw/zinc/49/56/46/488495646.db2.gz VKXRRDJSXGYUAF-SECBINFHSA-N -1 3 352.409 0.607 10 0 FCAEHM CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000101604514 488495581 /nfs/dbraw/zinc/49/55/81/488495581.db2.gz GNDFOZQWGLCHEZ-OAHLLOKOSA-N -1 3 371.441 0.596 10 0 FCAEHM Cn1cc(CCC[N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)cn1 ZINC000102661970 488498545 /nfs/dbraw/zinc/49/85/45/488498545.db2.gz KKOFEJHIPHNMDG-UHFFFAOYSA-N -1 3 357.457 0.735 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]C[C@H](Cc2ccc(F)cc2)C(N)=O)cn1C ZINC000104750029 488505728 /nfs/dbraw/zinc/50/57/28/488505728.db2.gz XIOGUXWFLKCEGA-LBPRGKRZSA-N -1 3 354.407 0.490 10 0 FCAEHM COCCN1CCC[C@@H]1CNC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000104896839 488506716 /nfs/dbraw/zinc/50/67/16/488506716.db2.gz JSOWWLCNGSGECF-CQSZACIVSA-N -1 3 361.446 0.409 10 0 FCAEHM COc1nnc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)[n-]1 ZINC000271449508 488520762 /nfs/dbraw/zinc/52/07/62/488520762.db2.gz UMCKRAQVGDPBFA-LLVKDONJSA-N -1 3 351.388 0.605 10 0 FCAEHM COc1nc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)n[n-]1 ZINC000271449508 488520764 /nfs/dbraw/zinc/52/07/64/488520764.db2.gz UMCKRAQVGDPBFA-LLVKDONJSA-N -1 3 351.388 0.605 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)n1 ZINC000271449508 488520765 /nfs/dbraw/zinc/52/07/65/488520765.db2.gz UMCKRAQVGDPBFA-LLVKDONJSA-N -1 3 351.388 0.605 10 0 FCAEHM C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)CN1CC(=O)[N-]C1=O ZINC000271461620 488521107 /nfs/dbraw/zinc/52/11/07/488521107.db2.gz RENJVWRUIIMWKL-QWRGUYRKSA-N -1 3 354.407 0.395 10 0 FCAEHM Cc1nc(C)c(CC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)C)c(=O)[n-]1 ZINC000109125816 488521906 /nfs/dbraw/zinc/52/19/06/488521906.db2.gz GBYFMGPJHXYUOB-INIZCTEOSA-N -1 3 356.426 0.745 10 0 FCAEHM C[C@H]1[C@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)CN1CC(=O)[N-]C1=O ZINC000272002371 488557960 /nfs/dbraw/zinc/55/79/60/488557960.db2.gz IATAITQJAIVRQN-QWRGUYRKSA-N -1 3 354.407 0.395 10 0 FCAEHM C[C@@H]1[C@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)CN1CC(=O)[N-]C1=O ZINC000272002370 488558040 /nfs/dbraw/zinc/55/80/40/488558040.db2.gz IATAITQJAIVRQN-MNOVXSKESA-N -1 3 354.407 0.395 10 0 FCAEHM C[C@@H]1[C@H](C)N(C(=O)CN2CC(=O)[N-]C2=O)CCN1C(=O)OC(C)(C)C ZINC000272002372 488558135 /nfs/dbraw/zinc/55/81/35/488558135.db2.gz IATAITQJAIVRQN-WDEREUQCSA-N -1 3 354.407 0.395 10 0 FCAEHM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)CN2CC(=O)[N-]C2=O)C1 ZINC000272430379 488580552 /nfs/dbraw/zinc/58/05/52/488580552.db2.gz HMXADAAKTIVOKK-QWRGUYRKSA-N -1 3 354.407 0.300 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)N1CCN(C2CC2)CC1 ZINC000127724413 488619077 /nfs/dbraw/zinc/61/90/77/488619077.db2.gz KNCDICOYBZHXQE-UHFFFAOYSA-N -1 3 355.435 0.801 10 0 FCAEHM CC(C)Cn1cnc(S(=O)(=O)[N-]CCc2nnc3n2CCCC3)c1 ZINC000570061004 491213283 /nfs/dbraw/zinc/21/32/83/491213283.db2.gz GGMDCBCFDUCPCC-UHFFFAOYSA-N -1 3 352.464 0.988 10 0 FCAEHM C[C@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])N1CCN(C)CC1 ZINC000129658705 488632969 /nfs/dbraw/zinc/63/29/69/488632969.db2.gz BSICEFFFVUPPIC-NVXWUHKLSA-N -1 3 374.485 0.749 10 0 FCAEHM Cc1nn(C)cc1CNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000273162722 488635790 /nfs/dbraw/zinc/63/57/90/488635790.db2.gz CAHQXEVUGBUULP-NSHDSACASA-N -1 3 354.407 0.851 10 0 FCAEHM Cc1nc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@@H]2O)[n-]c1Cc1ccccc1 ZINC000273308780 488643039 /nfs/dbraw/zinc/64/30/39/488643039.db2.gz BMTDGTSTXFGSIG-UONOGXRCSA-N -1 3 370.452 0.241 10 0 FCAEHM Cc1[n-]c(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@@H]2O)nc1Cc1ccccc1 ZINC000273308780 488643042 /nfs/dbraw/zinc/64/30/42/488643042.db2.gz BMTDGTSTXFGSIG-UONOGXRCSA-N -1 3 370.452 0.241 10 0 FCAEHM CC[C@@H](CO)N1CCN(C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)CC1 ZINC000131734124 488648402 /nfs/dbraw/zinc/64/84/02/488648402.db2.gz FQPYHJLBQQSXSC-ZDUSSCGKSA-N -1 3 350.463 0.905 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1cccc(Cl)c1N1CCOCC1 ZINC000264605148 488689481 /nfs/dbraw/zinc/68/94/81/488689481.db2.gz GBMHOHHBAVAOIA-UHFFFAOYSA-N -1 3 352.778 0.667 10 0 FCAEHM COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CC(=O)[N-]C1=O)CC3 ZINC000264617148 488691329 /nfs/dbraw/zinc/69/13/29/488691329.db2.gz AZKQHNVUGGCSGF-UHFFFAOYSA-N -1 3 370.365 0.391 10 0 FCAEHM CCOc1ccc(CN2CCN(C(=O)CN3CC(=O)[N-]C3=O)CC2)cc1 ZINC000264719471 488702586 /nfs/dbraw/zinc/70/25/86/488702586.db2.gz PIBJTMUEEUZSNH-UHFFFAOYSA-N -1 3 360.414 0.281 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000151479003 488705753 /nfs/dbraw/zinc/70/57/53/488705753.db2.gz CIJJBQYZOVJZNH-LBPRGKRZSA-N -1 3 352.420 0.175 10 0 FCAEHM CC(C)n1cnnc1CNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000264763785 488708873 /nfs/dbraw/zinc/70/88/73/488708873.db2.gz LUZHGKBBMWSZIJ-NSHDSACASA-N -1 3 369.422 0.981 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000274638803 488724587 /nfs/dbraw/zinc/72/45/87/488724587.db2.gz DVVQNOPZQXFRQB-NWDGAFQWSA-N -1 3 355.753 0.977 10 0 FCAEHM CC(C)C[C@@H](CO)N(C)S(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000274677830 488726909 /nfs/dbraw/zinc/72/69/09/488726909.db2.gz LTAMTTQAIQISLV-JTQLQIEISA-N -1 3 370.431 0.062 10 0 FCAEHM COC(=O)c1ccsc1N1CC[C@@H]([N-]S(=O)(=O)CC2CC2)C1=O ZINC000267043979 488756242 /nfs/dbraw/zinc/75/62/42/488756242.db2.gz CCQQFQXHHJCZPV-LLVKDONJSA-N -1 3 358.441 0.969 10 0 FCAEHM C[C@@H]1[C@H](NC(=O)C[C@@H]2NC(=O)[N-]C2=O)CCCN1C(=O)OC(C)(C)C ZINC000275093300 488761182 /nfs/dbraw/zinc/76/11/82/488761182.db2.gz AHAPZLCYIRMWIE-MXWKQRLJSA-N -1 3 354.407 0.489 10 0 FCAEHM COc1ccc(F)cc1CNC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000275103042 488761796 /nfs/dbraw/zinc/76/17/96/488761796.db2.gz DVHQWTIPLQMQGU-UHFFFAOYSA-N -1 3 356.379 0.163 10 0 FCAEHM O=C(CNC(=O)c1cccc([O-])c1)NCc1cccc(N2CCOCC2)n1 ZINC000275105767 488761924 /nfs/dbraw/zinc/76/19/24/488761924.db2.gz FWYIVRASSVKMJI-UHFFFAOYSA-N -1 3 370.409 0.670 10 0 FCAEHM CC(=O)N(C)c1cccc(NC(=O)C[N-]S(=O)(=O)CCOC(C)C)c1 ZINC000267145881 488764783 /nfs/dbraw/zinc/76/47/83/488764783.db2.gz OUUMCHMXIFZANQ-UHFFFAOYSA-N -1 3 371.459 0.952 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@H]1CCCC[C@H]1C(N)=O ZINC000267380109 488782451 /nfs/dbraw/zinc/78/24/51/488782451.db2.gz ZSJYDOGYLZQJEC-LOWVWBTDSA-N -1 3 371.434 0.653 10 0 FCAEHM Cc1cc(C[C@H](C)NC(=O)C[C@@H]2NC(=O)[N-]C2=O)n(-c2ccccc2)n1 ZINC000162662535 488804566 /nfs/dbraw/zinc/80/45/66/488804566.db2.gz QSBIMNVNHGAIKF-NHYWBVRUSA-N -1 3 355.398 0.826 10 0 FCAEHM COC(=O)[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F)C1CC1 ZINC000267663241 488810460 /nfs/dbraw/zinc/81/04/60/488810460.db2.gz DFLRJGUNQHDMRE-ZANVPECISA-N -1 3 358.391 0.560 10 0 FCAEHM O=S(=O)(Cc1c(F)cccc1F)[N-]C[C@H](O)CN1CCOCC1 ZINC000164842550 488810896 /nfs/dbraw/zinc/81/08/96/488810896.db2.gz WPLAHWAJTYFLFA-NSHDSACASA-N -1 3 350.387 0.077 10 0 FCAEHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N1CCNC(=O)C1 ZINC000171860127 488827601 /nfs/dbraw/zinc/82/76/01/488827601.db2.gz JMUAUVTWJFMJTH-UHFFFAOYSA-N -1 3 368.349 0.152 10 0 FCAEHM C[C@@H]1CC[C@H](C)N(S(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)C1 ZINC000173212137 488841682 /nfs/dbraw/zinc/84/16/82/488841682.db2.gz SNUQKMLKFBODBS-ZJUUUORDSA-N -1 3 352.416 0.431 10 0 FCAEHM CNc1cc(N2CCC[C@@H]2C[N-]S(=O)(=O)c2cn(C)c(C)n2)ncn1 ZINC000173898923 488846099 /nfs/dbraw/zinc/84/60/99/488846099.db2.gz MAGOKMQREBQRSY-GFCCVEGCSA-N -1 3 365.463 0.508 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CC1(CS(C)(=O)=O)CC1 ZINC000175319605 488853712 /nfs/dbraw/zinc/85/37/12/488853712.db2.gz PFVIAMMVKZBUMK-UHFFFAOYSA-N -1 3 355.869 0.485 10 0 FCAEHM CCC[C@@H](NC(=O)CN1CCN(Cc2ccccc2)CC1)c1nn[n-]n1 ZINC000176736944 488858775 /nfs/dbraw/zinc/85/87/75/488858775.db2.gz ZIESVJUTRPGZGX-MRXNPFEDSA-N -1 3 357.462 0.975 10 0 FCAEHM O=S(=O)(CCCS(=O)(=O)Nc1cccnc1)[N-]C1(C(F)F)CC1 ZINC000349532500 489309841 /nfs/dbraw/zinc/30/98/41/489309841.db2.gz CDNDLQUVINWUQI-UHFFFAOYSA-N -1 3 369.415 0.931 10 0 FCAEHM CC(C)(C)OC(=O)N1CCC[C@]2(CCN2C(=O)C[C@@H]2NC(=O)[N-]C2=O)C1 ZINC000364599238 488976269 /nfs/dbraw/zinc/97/62/69/488976269.db2.gz CUJRIEATXVZGSD-GTNSWQLSSA-N -1 3 366.418 0.587 10 0 FCAEHM CC(C)(C)OC(=O)N1CCC[C@@]2(CCN2C(=O)C[C@@H]2NC(=O)[N-]C2=O)C1 ZINC000364599234 488976273 /nfs/dbraw/zinc/97/62/73/488976273.db2.gz CUJRIEATXVZGSD-APPDUMDISA-N -1 3 366.418 0.587 10 0 FCAEHM COc1ccc(-n2cc(C[N-]S(=O)(=O)[C@@H]3CCO[C@@H]3C)nn2)cc1 ZINC000364794143 489003062 /nfs/dbraw/zinc/00/30/62/489003062.db2.gz QYTFKHFRNGOMLX-IAQYHMDHSA-N -1 3 352.416 0.873 10 0 FCAEHM COc1ccccc1CN(C)C(=O)CN1CCC(c2nc(=O)[n-][nH]2)CC1 ZINC000280710775 489026799 /nfs/dbraw/zinc/02/67/99/489026799.db2.gz BHDRDFHKOUUSEO-UHFFFAOYSA-N -1 3 359.430 0.945 10 0 FCAEHM Cc1ccc([C@H](NC(=O)CN2CC(=O)[N-]C2=O)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280931295 489041771 /nfs/dbraw/zinc/04/17/71/489041771.db2.gz ILTUUFSMESUZMS-IAQYHMDHSA-N -1 3 367.427 0.137 10 0 FCAEHM CC(=O)Nc1ccc(NC(=O)CN2CCC(c3nc(=O)[n-][nH]3)CC2)cc1 ZINC000281073519 489051300 /nfs/dbraw/zinc/05/13/00/489051300.db2.gz TVGDZRCQGTYRKH-UHFFFAOYSA-N -1 3 358.402 0.875 10 0 FCAEHM Cc1cccc(OCCNC(=O)CN2CCC(c3nc(=O)[n-][nH]3)CC2)c1 ZINC000281118724 489054236 /nfs/dbraw/zinc/05/42/36/489054236.db2.gz XKYDDVUKYIISDO-UHFFFAOYSA-N -1 3 359.430 0.781 10 0 FCAEHM COCC[C@H](CO)[N-]S(=O)(=O)c1ccc(CCNC(=O)OC)s1 ZINC000281386396 489071786 /nfs/dbraw/zinc/07/17/86/489071786.db2.gz OSDRXVPFWGTKAN-SNVBAGLBSA-N -1 3 366.461 0.322 10 0 FCAEHM C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000289508864 489072335 /nfs/dbraw/zinc/07/23/35/489072335.db2.gz UYBPSOVLTJKZQS-JQWIXIFHSA-N -1 3 358.402 0.404 10 0 FCAEHM CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)[N-][C@@H]1CC(=O)N(C(C)C)C1=O ZINC000330182911 489077884 /nfs/dbraw/zinc/07/78/84/489077884.db2.gz HORPCGIKHIOZLL-ZIAGYGMSSA-N -1 3 373.475 0.233 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCC(c2ncc[nH]2)CC1 ZINC000289684358 489085819 /nfs/dbraw/zinc/08/58/19/489085819.db2.gz AUFJRGMCERTPMF-UHFFFAOYSA-N -1 3 367.431 0.699 10 0 FCAEHM CS(=O)(=O)CCS(=O)(=O)[N-][C@H]1CCCN(c2ccccc2)C1=O ZINC000365612561 489092593 /nfs/dbraw/zinc/09/25/93/489092593.db2.gz SIRSJPCBXKPQRA-ZDUSSCGKSA-N -1 3 360.457 0.146 10 0 FCAEHM O=S(=O)([N-]C[C@]1(CCO)CCOC1)c1ccc(Br)cn1 ZINC000330493688 489108922 /nfs/dbraw/zinc/10/89/22/489108922.db2.gz RHIVAOSGFNICRX-LBPRGKRZSA-N -1 3 365.249 0.912 10 0 FCAEHM C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-][C@H]1CCCN(c2ccccc2)C1=O ZINC000365795916 489114610 /nfs/dbraw/zinc/11/46/10/489114610.db2.gz OLWWERKYRCGRGS-JSGCOSHPSA-N -1 3 353.444 0.578 10 0 FCAEHM CN(C)S(=O)(=O)N1CCCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000365808649 489116064 /nfs/dbraw/zinc/11/60/64/489116064.db2.gz HUJLMBQFWZCKJK-UHFFFAOYSA-N -1 3 361.851 1.000 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)nc1=N ZINC000563266931 491234214 /nfs/dbraw/zinc/23/42/14/491234214.db2.gz CCVBZDCRVSEFJA-AMJWSMQMSA-N -1 3 350.448 0.345 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)N[C@H](C)[C@H](C)OC)ccc1F ZINC000290291300 489128530 /nfs/dbraw/zinc/12/85/30/489128530.db2.gz HLQRJGWSESLIIG-BDAKNGLRSA-N -1 3 361.395 0.212 10 0 FCAEHM COC(=O)CC1(CC(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)CCCC1 ZINC000366080530 489142141 /nfs/dbraw/zinc/14/21/41/489142141.db2.gz AJJBAHXJFCGLOD-KRWDZBQOSA-N -1 3 351.403 0.701 10 0 FCAEHM C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000366080799 489142679 /nfs/dbraw/zinc/14/26/79/489142679.db2.gz AZGGTMLBGYZGTF-APPDUMDISA-N -1 3 368.434 0.690 10 0 FCAEHM CC(C)N1CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)CC1=O ZINC000330782094 489143115 /nfs/dbraw/zinc/14/31/15/489143115.db2.gz PFLCPZPVXOGREK-LBPRGKRZSA-N -1 3 371.434 0.572 10 0 FCAEHM CSc1ccccc1S(=O)(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000366139114 489149755 /nfs/dbraw/zinc/14/97/55/489149755.db2.gz RYTZLCWTEKAQJU-AWEZNQCLSA-N -1 3 355.441 0.771 10 0 FCAEHM COC(=O)CCS(=O)(=O)[N-]c1cc(C(=O)N2CCOCC2)ccc1C ZINC000290562845 489149885 /nfs/dbraw/zinc/14/98/85/489149885.db2.gz SEUVMINFOHTOTF-UHFFFAOYSA-N -1 3 370.427 0.772 10 0 FCAEHM COC(=O)[C@@](C)(O)CN1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000330855216 489150626 /nfs/dbraw/zinc/15/06/26/489150626.db2.gz SHHZZCWDVSVHGW-AWEZNQCLSA-N -1 3 362.473 0.415 10 0 FCAEHM CC(C)(C)OC(=O)NCC(C)(C)C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000366156483 489152342 /nfs/dbraw/zinc/15/23/42/489152342.db2.gz PSQLCXLIWNZSJU-QGZVFWFLSA-N -1 3 368.434 0.738 10 0 FCAEHM COc1ccc2c(c1)[n-]cc(C(=O)NCCCn1cc(CO)nn1)c2=O ZINC000290700835 489158651 /nfs/dbraw/zinc/15/86/51/489158651.db2.gz VWGZPVHLVLODMJ-UHFFFAOYSA-N -1 3 357.370 0.853 10 0 FCAEHM COC(=O)CCS(=O)(=O)[N-]c1cccc(OCCS(C)(=O)=O)c1 ZINC000290760171 489163370 /nfs/dbraw/zinc/16/33/70/489163370.db2.gz ZFKAFPCVVNRFRH-UHFFFAOYSA-N -1 3 365.429 0.415 10 0 FCAEHM Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000290790407 489165434 /nfs/dbraw/zinc/16/54/34/489165434.db2.gz DCPVIMSYNQULRO-ZDUSSCGKSA-N -1 3 359.308 0.411 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)N1CCO[C@]2(CCOC2)C1 ZINC000290866588 489169774 /nfs/dbraw/zinc/16/97/74/489169774.db2.gz ZZTOOPGPSLTCLH-OAHLLOKOSA-N -1 3 358.391 0.122 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2C(=O)NCC[C@H]2C)c(Cl)c1 ZINC000282584114 489176655 /nfs/dbraw/zinc/17/66/55/489176655.db2.gz PRSWERDXTUMWPN-PELKAZGASA-N -1 3 360.819 0.930 10 0 FCAEHM CC[C@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]C)nc2)C[C@]2(CCOC2)O1 ZINC000366520514 489191228 /nfs/dbraw/zinc/19/12/28/489191228.db2.gz PPOGLECJWQZEHC-BBRMVZONSA-N -1 3 369.443 0.400 10 0 FCAEHM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H]1CCOC1(C)C ZINC000295312430 489192101 /nfs/dbraw/zinc/19/21/01/489192101.db2.gz OYEMVHWJQSKPRI-ZDUSSCGKSA-N -1 3 362.473 0.783 10 0 FCAEHM CC1=C([O-])N(C)S(=O)(=O)N1CC(=O)c1ccnc(C(F)(F)F)c1 ZINC000295405552 489193083 /nfs/dbraw/zinc/19/30/83/489193083.db2.gz SGAYQDJBLFOYDB-SSDOTTSWSA-N -1 3 351.306 0.690 10 0 FCAEHM NC(=O)C1CCN(C(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])CC1 ZINC000282839636 489193641 /nfs/dbraw/zinc/19/36/41/489193641.db2.gz BAUFTVYAYNTQPY-UHFFFAOYSA-N -1 3 360.345 0.211 10 0 FCAEHM NC(=O)C1CCN(C(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)CC1 ZINC000282839636 489193643 /nfs/dbraw/zinc/19/36/43/489193643.db2.gz BAUFTVYAYNTQPY-UHFFFAOYSA-N -1 3 360.345 0.211 10 0 FCAEHM C[C@H](O)[C@@H]1CN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)CCO1 ZINC000331301635 489195960 /nfs/dbraw/zinc/19/59/60/489195960.db2.gz ADKGASMNLFEJHG-GVXVVHGQSA-N -1 3 360.407 0.101 10 0 FCAEHM CCOc1ccncc1S(=O)(=O)[N-][C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000331335083 489199598 /nfs/dbraw/zinc/19/95/98/489199598.db2.gz QAABAUUAYPYBOV-LLVKDONJSA-N -1 3 363.461 0.183 10 0 FCAEHM Cc1cc(S(=O)(=O)[N-]CCNS(=O)(=O)N(C)C)c(Cl)cc1F ZINC000331350664 489200663 /nfs/dbraw/zinc/20/06/63/489200663.db2.gz YMZZGLQPOZMCSX-UHFFFAOYSA-N -1 3 373.859 0.462 10 0 FCAEHM COc1cc(C(=O)Nc2[n-]nnc2C(=O)NC2CC2)cc2c1OCCO2 ZINC000297627691 489216138 /nfs/dbraw/zinc/21/61/38/489216138.db2.gz BYNAWTIRICQSLX-UHFFFAOYSA-N -1 3 359.342 0.729 10 0 FCAEHM COc1cc(C(=O)Nc2nn[n-]c2C(=O)NC2CC2)cc2c1OCCO2 ZINC000297627691 489216141 /nfs/dbraw/zinc/21/61/41/489216141.db2.gz BYNAWTIRICQSLX-UHFFFAOYSA-N -1 3 359.342 0.729 10 0 FCAEHM COc1cc(C(=O)Nc2n[n-]nc2C(=O)NC2CC2)cc2c1OCCO2 ZINC000297627691 489216142 /nfs/dbraw/zinc/21/61/42/489216142.db2.gz BYNAWTIRICQSLX-UHFFFAOYSA-N -1 3 359.342 0.729 10 0 FCAEHM O=C(NC1CC1)c1nn[n-]c1NC(=O)C1=NN(c2ccccc2)C(=O)CC1 ZINC000297665826 489221121 /nfs/dbraw/zinc/22/11/21/489221121.db2.gz GNZPGURQUPPAAK-UHFFFAOYSA-N -1 3 367.369 0.818 10 0 FCAEHM O=C(NC1CC1)c1[n-]nnc1NC(=O)C1=NN(c2ccccc2)C(=O)CC1 ZINC000297665826 489221125 /nfs/dbraw/zinc/22/11/25/489221125.db2.gz GNZPGURQUPPAAK-UHFFFAOYSA-N -1 3 367.369 0.818 10 0 FCAEHM O=C(NC1CC1)c1n[n-]nc1NC(=O)C1=NN(c2ccccc2)C(=O)CC1 ZINC000297665826 489221127 /nfs/dbraw/zinc/22/11/27/489221127.db2.gz GNZPGURQUPPAAK-UHFFFAOYSA-N -1 3 367.369 0.818 10 0 FCAEHM CC(C)(C)C(=O)N1CCC[C@H](C(=O)Nc2[n-]nnc2C(=O)NC2CC2)C1 ZINC000297823259 489247138 /nfs/dbraw/zinc/24/71/38/489247138.db2.gz VCOYKJZIFUKFCM-JTQLQIEISA-N -1 3 362.434 0.920 10 0 FCAEHM CC(C)(C)C(=O)N1CCC[C@H](C(=O)Nc2nn[n-]c2C(=O)NC2CC2)C1 ZINC000297823259 489247139 /nfs/dbraw/zinc/24/71/39/489247139.db2.gz VCOYKJZIFUKFCM-JTQLQIEISA-N -1 3 362.434 0.920 10 0 FCAEHM CC(C)(C)C(=O)N1CCC[C@H](C(=O)Nc2n[n-]nc2C(=O)NC2CC2)C1 ZINC000297823259 489247143 /nfs/dbraw/zinc/24/71/43/489247143.db2.gz VCOYKJZIFUKFCM-JTQLQIEISA-N -1 3 362.434 0.920 10 0 FCAEHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000369627919 489258103 /nfs/dbraw/zinc/25/81/03/489258103.db2.gz AODZAVWDZPECJK-AWEZNQCLSA-N -1 3 357.410 0.897 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NC[C@@H](O)c1cccc(Br)c1 ZINC000283457361 489261441 /nfs/dbraw/zinc/26/14/41/489261441.db2.gz VBVGIYFPEJQYSP-SNVBAGLBSA-N -1 3 356.176 0.151 10 0 FCAEHM CC(C)(C)C1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cn[nH]c2)C1 ZINC000349467139 489292601 /nfs/dbraw/zinc/29/26/01/489292601.db2.gz MYCURDYDLOMJCO-UHFFFAOYSA-N -1 3 364.493 0.849 10 0 FCAEHM O=S(=O)(CCCS(=O)(=O)N[C@@H]1[C@@H]2CCC[C@@H]21)[N-]c1ccnnc1 ZINC000349541133 489311727 /nfs/dbraw/zinc/31/17/27/489311727.db2.gz KMGZPWGBQIQTAQ-CLLJXQQHSA-N -1 3 360.461 0.326 10 0 FCAEHM COC(=O)c1c(C)[nH]c(C(=O)CN2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1C ZINC000298384587 489321240 /nfs/dbraw/zinc/32/12/40/489321240.db2.gz DKXCFYCAUXHJMO-KRWDZBQOSA-N -1 3 362.386 0.275 10 0 FCAEHM O=C(CC[C@H]1NC(=O)[N-]C1=O)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000370189699 489325859 /nfs/dbraw/zinc/32/58/59/489325859.db2.gz AWTIGKHQXRKTLU-ZIAGYGMSSA-N -1 3 353.419 0.551 10 0 FCAEHM CCn1ccnc1CNC(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000298549608 489336800 /nfs/dbraw/zinc/33/68/00/489336800.db2.gz XYGIXIWTBLMFLT-UHFFFAOYSA-N -1 3 357.461 0.742 10 0 FCAEHM CC[C@](C)(NC(=O)c1ccccc1)c1noc(C[C@@H]2NC(=O)[N-]C2=O)n1 ZINC000350363201 489338416 /nfs/dbraw/zinc/33/84/16/489338416.db2.gz IADXBYHVTDAAOG-GTNSWQLSSA-N -1 3 357.370 0.875 10 0 FCAEHM COCCn1cc2c(n1)[C@@H](NC(=O)c1cc(=O)[n-]c(N(C)C)n1)CCC2 ZINC000555287531 491244238 /nfs/dbraw/zinc/24/42/38/491244238.db2.gz LUBDXZRJKDFVKJ-LBPRGKRZSA-N -1 3 360.418 0.899 10 0 FCAEHM C[C@H](c1noc(CN2CC(=O)[N-]C2=O)n1)n1cc(Br)cn1 ZINC000351379285 489355740 /nfs/dbraw/zinc/35/57/40/489355740.db2.gz IFCKUGFVYDYGEY-ZCFIWIBFSA-N -1 3 355.152 0.690 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(-c2nc(COC[C@@H]3CCOC3)no2)cn1 ZINC000351446811 489357107 /nfs/dbraw/zinc/35/71/07/489357107.db2.gz OSDJDZPSXDMKBH-SNVBAGLBSA-N -1 3 354.388 0.593 10 0 FCAEHM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C[C@H]1C(=O)[O-] ZINC000570569342 491250163 /nfs/dbraw/zinc/25/01/63/491250163.db2.gz OGVKWQOQNIUEHV-QLFBSQMISA-N -1 3 351.447 0.642 10 0 FCAEHM C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000570583374 491251439 /nfs/dbraw/zinc/25/14/39/491251439.db2.gz FYWBKMAJELLSCR-QLFBSQMISA-N -1 3 353.463 0.792 10 0 FCAEHM COC(=O)[C@H](CF)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000286492558 489397166 /nfs/dbraw/zinc/39/71/66/489397166.db2.gz AERZAFGIJGACHZ-VIFPVBQESA-N -1 3 357.356 0.019 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000362791205 489397986 /nfs/dbraw/zinc/39/79/86/489397986.db2.gz FQUMLTOLRPDLPI-UHFFFAOYSA-N -1 3 362.361 0.555 10 0 FCAEHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]CCCN2CCCC2=O)s1 ZINC000299046337 489399582 /nfs/dbraw/zinc/39/95/82/489399582.db2.gz OIBOKAFPCQSVQG-UHFFFAOYSA-N -1 3 373.500 0.718 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCO[C@]2(CCCOC2)C1 ZINC000286539274 489402197 /nfs/dbraw/zinc/40/21/97/489402197.db2.gz YQLOIEVSEMCFQW-SWLSCSKDSA-N -1 3 374.484 0.823 10 0 FCAEHM CNC(=O)Cn1cc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cn1 ZINC000363045326 489416209 /nfs/dbraw/zinc/41/62/09/489416209.db2.gz GPWHIMOBRZWUNA-CQSZACIVSA-N -1 3 371.397 0.578 10 0 FCAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cn(C)c(=O)[nH]c3=O)cc2)n1 ZINC000363205866 489437754 /nfs/dbraw/zinc/43/77/54/489437754.db2.gz YCGVMFOGGXYRQA-UHFFFAOYSA-N -1 3 353.338 0.797 10 0 FCAEHM COCCCOc1ccc(NC(=O)CN2CC(=O)[N-]C2=O)cc1OC ZINC000287154463 489466176 /nfs/dbraw/zinc/46/61/76/489466176.db2.gz YDMKBZCXGQTZPC-UHFFFAOYSA-N -1 3 351.359 0.601 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000371282581 489473407 /nfs/dbraw/zinc/47/34/07/489473407.db2.gz ZDTNWPSVLFZNLK-WDEREUQCSA-N -1 3 366.418 0.889 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000371282581 489473409 /nfs/dbraw/zinc/47/34/09/489473409.db2.gz ZDTNWPSVLFZNLK-WDEREUQCSA-N -1 3 366.418 0.889 10 0 FCAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CCCn1ccnn1 ZINC000451391103 489502239 /nfs/dbraw/zinc/50/22/39/489502239.db2.gz FJHHLWBDTHRORJ-VIFPVBQESA-N -1 3 358.342 0.472 10 0 FCAEHM COC[C@](C)(O)CC[N-]S(=O)(=O)c1cnc2c(Cl)c(C)nn2c1 ZINC000451658430 489514578 /nfs/dbraw/zinc/51/45/78/489514578.db2.gz XOAPLKOTCGHHRV-CYBMUJFWSA-N -1 3 362.839 0.757 10 0 FCAEHM CC[C@@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)[C@@H](O)C(F)F ZINC000451706427 489518953 /nfs/dbraw/zinc/51/89/53/489518953.db2.gz GOASZZQAWAGQSK-LDYMZIIASA-N -1 3 357.400 0.773 10 0 FCAEHM CC[C@@H]([N-]S(=O)(=O)C1CN(C(=O)c2ccccc2)C1)[C@H](O)C(F)F ZINC000451718379 489519771 /nfs/dbraw/zinc/51/97/71/489519771.db2.gz URPAYOVDTWYGQR-OLZOCXBDSA-N -1 3 362.398 0.835 10 0 FCAEHM COC(=O)c1nscc1S(=O)(=O)[N-][C@H]1CCCC[C@H]1C(=O)OC ZINC000451834126 489525450 /nfs/dbraw/zinc/52/54/50/489525450.db2.gz BUVGJGVEXBNNBI-BDAKNGLRSA-N -1 3 362.429 0.940 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)NC(C)(C)C3CCC3)cnc21 ZINC000451869793 489526999 /nfs/dbraw/zinc/52/69/99/489526999.db2.gz OKDWXKNIUNPGKV-UHFFFAOYSA-N -1 3 352.416 0.891 10 0 FCAEHM CC(C)OC(=O)[C@H](C)[N-]S(=O)(=O)C1CN(C(=O)c2ccccc2)C1 ZINC000452004259 489537394 /nfs/dbraw/zinc/53/73/94/489537394.db2.gz AZUJNZKTKGCMHO-LBPRGKRZSA-N -1 3 354.428 0.771 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)NCCCC(C)(F)F)cn1C ZINC000452205536 489550814 /nfs/dbraw/zinc/55/08/14/489550814.db2.gz MSVJMPMXZIDTHO-UHFFFAOYSA-N -1 3 352.407 0.949 10 0 FCAEHM O=C1CCc2cc(Cl)c(S(=O)(=O)[N-][C@H]3CCCNC3=O)cc2N1 ZINC000570772524 491263349 /nfs/dbraw/zinc/26/33/49/491263349.db2.gz OAFBUJOERTVTPM-JTQLQIEISA-N -1 3 357.819 0.782 10 0 FCAEHM C[C@]1(c2cccc(C(=O)N[C@@H]3CCCCC[C@H]3C(N)=O)c2)NC(=O)[N-]C1=O ZINC000426793180 489582391 /nfs/dbraw/zinc/58/23/91/489582391.db2.gz MJJYXOBPKUZYMD-PJIJBLCYSA-N -1 3 372.425 0.905 10 0 FCAEHM CC(C)NS(=O)(=O)CC[N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C ZINC000416381846 489587213 /nfs/dbraw/zinc/58/72/13/489587213.db2.gz IEBTZRAJUIJUPA-LLVKDONJSA-N -1 3 364.493 0.387 10 0 FCAEHM O=C(CNC(=O)c1cccc([O-])c1)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000427011024 489590775 /nfs/dbraw/zinc/59/07/75/489590775.db2.gz BDHKQCKWXGGBBX-HNNXBMFYSA-N -1 3 359.426 0.983 10 0 FCAEHM C[C@@H](C[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F)N1CCCCC1=O ZINC000416519231 489604821 /nfs/dbraw/zinc/60/48/21/489604821.db2.gz DZMDFEODPOVQHD-VIFPVBQESA-N -1 3 371.390 0.940 10 0 FCAEHM O=S(=O)([N-]C[C@H](O)Cn1ccnn1)c1cc(C(F)(F)F)ccc1F ZINC000416567560 489610952 /nfs/dbraw/zinc/61/09/52/489610952.db2.gz WGCFWHJBONLBFK-VIFPVBQESA-N -1 3 368.312 0.775 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NC[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC000427533194 489613338 /nfs/dbraw/zinc/61/33/38/489613338.db2.gz GRWGGQODXBPJPY-JTQLQIEISA-N -1 3 373.331 0.524 10 0 FCAEHM CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)CNC(=O)c1cccc([O-])c1 ZINC000427811112 489621831 /nfs/dbraw/zinc/62/18/31/489621831.db2.gz KVTAOCHDMBPCNI-DZGCQCFKSA-N -1 3 364.398 0.691 10 0 FCAEHM NC(=O)C[C@H]1COCCN1C(=O)Cc1ccc(Br)cc1[O-] ZINC000457060144 489634192 /nfs/dbraw/zinc/63/41/92/489634192.db2.gz OGFVXJWBCHYWJL-NSHDSACASA-N -1 3 357.204 0.800 10 0 FCAEHM C/C=C/C[C@H]([N-]S(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)OCC ZINC000428090968 489637769 /nfs/dbraw/zinc/63/77/69/489637769.db2.gz YGMYFINVPOXQAW-PYEVWLCESA-N -1 3 353.462 0.381 10 0 FCAEHM CC1(C)COC[C@H]1NC(=O)NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000458230586 489674169 /nfs/dbraw/zinc/67/41/69/489674169.db2.gz RBLIOXJATAOSOH-ACJLOTCBSA-N -1 3 360.414 0.965 10 0 FCAEHM CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)CNC(=O)c1cccc([O-])c1 ZINC000430482099 489740475 /nfs/dbraw/zinc/74/04/75/489740475.db2.gz HWTGLBCXOYCFQW-MRXNPFEDSA-N -1 3 371.393 0.808 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](CO)c2sccc2C)cn1 ZINC000474191140 489745805 /nfs/dbraw/zinc/74/58/05/489745805.db2.gz PSDIHJSXXARFMN-LLVKDONJSA-N -1 3 355.441 0.823 10 0 FCAEHM COc1nc(NC(=O)CCNS(=O)(=O)c2cc(C)ccc2C)n[n-]1 ZINC000490712714 489780938 /nfs/dbraw/zinc/78/09/38/489780938.db2.gz ZFZPQXUQIYTGKF-UHFFFAOYSA-N -1 3 353.404 0.737 10 0 FCAEHM COc1nnc(NC(=O)CCNS(=O)(=O)c2cc(C)ccc2C)[n-]1 ZINC000490712714 489780943 /nfs/dbraw/zinc/78/09/43/489780943.db2.gz ZFZPQXUQIYTGKF-UHFFFAOYSA-N -1 3 353.404 0.737 10 0 FCAEHM COc1n[n-]c(NC(=O)CCNS(=O)(=O)c2cc(C)ccc2C)n1 ZINC000490712714 489780947 /nfs/dbraw/zinc/78/09/47/489780947.db2.gz ZFZPQXUQIYTGKF-UHFFFAOYSA-N -1 3 353.404 0.737 10 0 FCAEHM COc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)[n-]1 ZINC000490756993 489783073 /nfs/dbraw/zinc/78/30/73/489783073.db2.gz JYSQZQOYMUGJON-UHFFFAOYSA-N -1 3 351.388 0.850 10 0 FCAEHM COc1nc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n[n-]1 ZINC000490756993 489783078 /nfs/dbraw/zinc/78/30/78/489783078.db2.gz JYSQZQOYMUGJON-UHFFFAOYSA-N -1 3 351.388 0.850 10 0 FCAEHM COc1n[n-]c(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1 ZINC000490756993 489783084 /nfs/dbraw/zinc/78/30/84/489783084.db2.gz JYSQZQOYMUGJON-UHFFFAOYSA-N -1 3 351.388 0.850 10 0 FCAEHM O=C(C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1)c1ccc(Br)cc1 ZINC000490849112 489786963 /nfs/dbraw/zinc/78/69/63/489786963.db2.gz AOABAUYSWVQGDQ-JTQLQIEISA-N -1 3 366.171 0.394 10 0 FCAEHM CCNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]Cc1noc(C)n1 ZINC000491612895 489810364 /nfs/dbraw/zinc/81/03/64/489810364.db2.gz MMZKGLIKXVYUBU-UHFFFAOYSA-N -1 3 360.417 0.155 10 0 FCAEHM COc1ccc(NC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)c(OC)c1OC ZINC000492050701 489816571 /nfs/dbraw/zinc/81/65/71/489816571.db2.gz ZVBMNMWOZTWRDH-SNVBAGLBSA-N -1 3 364.358 0.480 10 0 FCAEHM Cc1nc([C@](C)([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)C2CC2)no1 ZINC000432269904 489835400 /nfs/dbraw/zinc/83/54/00/489835400.db2.gz JQQITFJQKQKZCO-CQSZACIVSA-N -1 3 353.404 0.419 10 0 FCAEHM C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000377052701 489844622 /nfs/dbraw/zinc/84/46/22/489844622.db2.gz PZEUQKCQHYCLEJ-PSTGCABASA-N -1 3 365.434 0.065 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC[C@@]1(CCO)CCOC1 ZINC000475807918 489850309 /nfs/dbraw/zinc/85/03/09/489850309.db2.gz KERYGTZFSBNVKQ-BLLLJJGKSA-N -1 3 374.434 0.398 10 0 FCAEHM C[C@H](CCNC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)[S@](C)=O ZINC000493864358 489859314 /nfs/dbraw/zinc/85/93/14/489859314.db2.gz NRPOZTUKVIKWEQ-XATDYGRISA-N -1 3 351.428 0.628 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2CCCN2CCOC)c(C)o1 ZINC000433992622 489908461 /nfs/dbraw/zinc/90/84/61/489908461.db2.gz DNQZUNLKADGPJC-GFCCVEGCSA-N -1 3 359.448 0.337 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CC[C@H](CC(F)(F)F)C2)cn1C ZINC000434198799 489916673 /nfs/dbraw/zinc/91/66/73/489916673.db2.gz XYYZJPNPMPMQTA-SNVBAGLBSA-N -1 3 368.381 0.808 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCNC[C@@H]1C(F)F ZINC000377567906 489921228 /nfs/dbraw/zinc/92/12/28/489921228.db2.gz QDONCTPFNNOHGR-RKDXNWHRSA-N -1 3 353.416 0.480 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)c3cccn4c(=O)[nH]nc34)cc2n(C)c1=O ZINC000461631808 489924342 /nfs/dbraw/zinc/92/43/42/489924342.db2.gz PSDOKEJOGRTMHM-UHFFFAOYSA-N -1 3 354.326 0.583 10 0 FCAEHM Cn1ccc(NC(=O)C[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)n1 ZINC000462072017 489955360 /nfs/dbraw/zinc/95/53/60/489955360.db2.gz PLZFIKBOUNNBHY-UHFFFAOYSA-N -1 3 368.362 1.417 10 0 FCAEHM C[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CCS1(=O)=O ZINC000377788424 489957985 /nfs/dbraw/zinc/95/79/85/489957985.db2.gz YFACTUPIMWRIMA-JSGCOSHPSA-N -1 3 366.439 0.642 10 0 FCAEHM CC(=O)Nc1cccc(NC(=O)[C@@H](C)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000434798568 489958104 /nfs/dbraw/zinc/95/81/04/489958104.db2.gz JIUUGUHFCPGCBX-ADLMAVQZSA-N -1 3 373.413 0.646 10 0 FCAEHM CCOCc1nc([C@H](C)[N-]S(=O)(=O)CC2(C(=O)OC)CCC2)no1 ZINC000462129669 489959378 /nfs/dbraw/zinc/95/93/78/489959378.db2.gz LCFVGLHBWBRGOZ-JTQLQIEISA-N -1 3 361.420 0.930 10 0 FCAEHM COc1ccc2c(c1)OC[C@@H]2CC(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000556082092 491292505 /nfs/dbraw/zinc/29/25/05/491292505.db2.gz PYMLUKMKUHWRGX-BBATYDOGSA-N -1 3 359.382 0.762 10 0 FCAEHM CN(C)S(=O)(=O)N1CCCN(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000378059998 490003414 /nfs/dbraw/zinc/00/34/14/490003414.db2.gz QLWQOFKHMCLGRA-UHFFFAOYSA-N -1 3 374.438 0.555 10 0 FCAEHM CN(C)c1nc(C(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)cc(=O)[n-]1 ZINC000463331891 490011370 /nfs/dbraw/zinc/01/13/70/490011370.db2.gz DAUDYMZPFIXQOG-UHFFFAOYSA-N -1 3 371.397 0.552 10 0 FCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436817315 490012670 /nfs/dbraw/zinc/01/26/70/490012670.db2.gz AIKIJDOXLAPRQM-VHSXEESVSA-N -1 3 365.386 0.537 10 0 FCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000436822604 490014094 /nfs/dbraw/zinc/01/40/94/490014094.db2.gz PVBNBKJRTGTNTL-VHSXEESVSA-N -1 3 368.386 0.596 10 0 FCAEHM CCOC(=O)[C@@](C)(O)CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436820416 490014268 /nfs/dbraw/zinc/01/42/68/490014268.db2.gz LMKQLDOHUPHVGQ-UGSOOPFHSA-N -1 3 364.398 0.427 10 0 FCAEHM CCc1cnc(CCNC(=O)C[N-]S(=O)(=O)c2cn(C)c(C)n2)s1 ZINC000464137444 490041477 /nfs/dbraw/zinc/04/14/77/490041477.db2.gz DJSAHWOYLFTDIQ-UHFFFAOYSA-N -1 3 371.488 0.385 10 0 FCAEHM CC1(C)[C@@H](O)CCN1C(=O)NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000464222116 490047933 /nfs/dbraw/zinc/04/79/33/490047933.db2.gz QTZBAVNVIPRIOS-SCLBCKFNSA-N -1 3 360.414 0.796 10 0 FCAEHM COCc1nnc(NCC[N-]S(=O)(=O)c2ccc(F)cc2F)s1 ZINC000440662503 490050092 /nfs/dbraw/zinc/05/00/92/490050092.db2.gz FYHOOCKVZZHZPF-UHFFFAOYSA-N -1 3 364.399 1.353 10 0 FCAEHM CNC(=O)CC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000442969261 490062877 /nfs/dbraw/zinc/06/28/77/490062877.db2.gz RGRDIZZIXXBHTD-UHFFFAOYSA-N -1 3 351.787 0.010 10 0 FCAEHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000443305405 490069492 /nfs/dbraw/zinc/06/94/92/490069492.db2.gz GGNSEGWOEGLSDM-CKYFFXLPSA-N -1 3 370.402 0.900 10 0 FCAEHM O=C(C[N-]S(=O)(=O)C1CN(C(=O)c2ccccc2)C1)OCC1CC1 ZINC000378533933 490081861 /nfs/dbraw/zinc/08/18/61/490081861.db2.gz BMMAKVVGBVZAGM-UHFFFAOYSA-N -1 3 352.412 0.384 10 0 FCAEHM COc1cccc(-c2nc(=NC(=O)NC[C@]3(O)CCN(C)C3)s[n-]2)c1 ZINC000545169190 490090503 /nfs/dbraw/zinc/09/05/03/490090503.db2.gz BKEDDCBUOFPNEV-MRXNPFEDSA-N -1 3 363.443 0.824 10 0 FCAEHM CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000519821054 490091071 /nfs/dbraw/zinc/09/10/71/490091071.db2.gz CTIXOWDPHCVJSQ-PBFPGSCMSA-N -1 3 358.402 0.839 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@]2(CCO)CCOC2)cc1F ZINC000445038992 490120968 /nfs/dbraw/zinc/12/09/68/490120968.db2.gz ARUUDCQGIDJMCF-OAHLLOKOSA-N -1 3 361.391 0.680 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H](C(N)=O)C2)cc1F ZINC000445048212 490122878 /nfs/dbraw/zinc/12/28/78/490122878.db2.gz LFPNPSSZQWBRDK-UWVGGRQHSA-N -1 3 358.391 0.935 10 0 FCAEHM C[C@@H](NC(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1)c1cn(-c2ccccc2)nn1 ZINC000545433863 490134890 /nfs/dbraw/zinc/13/48/90/490134890.db2.gz LVRFNKZEGOZZRO-BXUZGUMPSA-N -1 3 369.385 0.274 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]CCN1CCOC[C@H]1C ZINC000564353751 491302778 /nfs/dbraw/zinc/30/27/78/491302778.db2.gz CFWNVJJEEQOAEY-SNVBAGLBSA-N -1 3 360.432 0.682 10 0 FCAEHM C[C@@H](CCNC(=O)NCC[N-]S(=O)(=O)c1cccs1)[S@](C)=O ZINC000446891135 490168980 /nfs/dbraw/zinc/16/89/80/490168980.db2.gz UPKNJCNHTSMLAL-CWKPULSASA-N -1 3 367.518 0.483 10 0 FCAEHM Cc1ccc(Cn2cccc(NC(=O)CN3CC(=O)[N-]C3=O)c2=O)cc1 ZINC000533141507 490183459 /nfs/dbraw/zinc/18/34/59/490183459.db2.gz SROWTSYOFZLUOQ-UHFFFAOYSA-N -1 3 354.366 0.695 10 0 FCAEHM CCN(CC)S(=O)(=O)CC(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000533186189 490191903 /nfs/dbraw/zinc/19/19/03/490191903.db2.gz SDWMVYQFNXWJSF-UHFFFAOYSA-N -1 3 352.420 0.401 10 0 FCAEHM CCN(CC)S(=O)(=O)CC(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000533186189 490191908 /nfs/dbraw/zinc/19/19/08/490191908.db2.gz SDWMVYQFNXWJSF-UHFFFAOYSA-N -1 3 352.420 0.401 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)N[C@@H](CCOC)COC)ccc1F ZINC000564439446 491306709 /nfs/dbraw/zinc/30/67/09/491306709.db2.gz QTPXERAXMXCNGL-NSHDSACASA-N -1 3 363.411 0.907 10 0 FCAEHM C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)C1 ZINC000546215155 490209266 /nfs/dbraw/zinc/20/92/66/490209266.db2.gz NXSQPBSZHFGRID-MLGOLLRUSA-N -1 3 372.491 0.392 10 0 FCAEHM C[C@H]1CCCN1S(=O)(=O)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000546728837 490237615 /nfs/dbraw/zinc/23/76/15/490237615.db2.gz UMYISAKSBKHXHP-GWCFXTLKSA-N -1 3 352.416 0.578 10 0 FCAEHM COC(C)(C)c1nc(C)c(C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)s1 ZINC000564498771 491310582 /nfs/dbraw/zinc/31/05/82/491310582.db2.gz OMLSVCDLXWPCQI-VIFPVBQESA-N -1 3 352.416 0.709 10 0 FCAEHM CC[C@H]1NC(=O)N(c2cccc([N-]S(=O)(=O)CCC(=O)OC)c2)C1=O ZINC000564550329 491313262 /nfs/dbraw/zinc/31/32/62/491313262.db2.gz MKIXNNSCPJOHOO-GFCCVEGCSA-N -1 3 369.399 0.826 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCc2nc([C@H]3CCO[C@H](C)C3)no2)cn1C ZINC000547218006 490271513 /nfs/dbraw/zinc/27/15/13/490271513.db2.gz CWIQUHJZIOREGF-PWSUYJOCSA-N -1 3 369.447 0.915 10 0 FCAEHM O=C(N[C@@H]1CCN(c2ccc(F)cc2)C1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000521578771 490277648 /nfs/dbraw/zinc/27/76/48/490277648.db2.gz LICRIUAXXWVRIY-TZMCWYRMSA-N -1 3 361.377 0.350 10 0 FCAEHM CCOC(=O)c1c(C(C)C)csc1[N-]C(=O)C(=O)N1CCNC(=O)C1 ZINC000467386958 490288562 /nfs/dbraw/zinc/28/85/62/490288562.db2.gz CGVUYAIPOIGJKO-UHFFFAOYSA-N -1 3 367.427 0.945 10 0 FCAEHM COC(=O)[C@]1(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)CCSC1 ZINC000534050756 490312862 /nfs/dbraw/zinc/31/28/62/490312862.db2.gz PTPVQHUHQJIUQR-AWEZNQCLSA-N -1 3 358.441 0.837 10 0 FCAEHM CS(=O)(=O)Cc1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000521994319 490322352 /nfs/dbraw/zinc/32/23/52/490322352.db2.gz OKCCKWHGIHSZCF-UHFFFAOYSA-N -1 3 361.383 0.934 10 0 FCAEHM CS(=O)(=O)Cc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000521994319 490322356 /nfs/dbraw/zinc/32/23/56/490322356.db2.gz OKCCKWHGIHSZCF-UHFFFAOYSA-N -1 3 361.383 0.934 10 0 FCAEHM C[C@]1(c2ccc(C(=O)N[C@@H]3CCCCC[C@@H]3C(N)=O)cc2)NC(=O)[N-]C1=O ZINC000467684306 490328980 /nfs/dbraw/zinc/32/89/80/490328980.db2.gz BTMZRRNGDJLIIH-IQUTYRLHSA-N -1 3 372.425 0.905 10 0 FCAEHM CC(C)N(C[C@H]1CCC(=O)N1)C(=O)C[N-]S(=O)(=O)c1ccccc1F ZINC000522060256 490335550 /nfs/dbraw/zinc/33/55/50/490335550.db2.gz GUZMAEQRHRDXGW-GFCCVEGCSA-N -1 3 371.434 0.620 10 0 FCAEHM COc1cc2nc(NC(=O)C[C@@H]3NC(=O)[N-]C3=O)sc2cc1OC ZINC000534269022 490339354 /nfs/dbraw/zinc/33/93/54/490339354.db2.gz UKUODJGDRZAYAM-ZETCQYMHSA-N -1 3 350.356 0.850 10 0 FCAEHM O=S(=O)(C[C@@H]1CCOC1)[N-]Cc1ncn(Cc2cccc(F)c2)n1 ZINC000547718559 490347568 /nfs/dbraw/zinc/34/75/68/490347568.db2.gz BQTXIMBJMPUBGT-CYBMUJFWSA-N -1 3 354.407 0.921 10 0 FCAEHM COCc1csc(NC(=O)CC[N-]S(=O)(=O)c2cn(C)c(C)n2)n1 ZINC000522397312 490375706 /nfs/dbraw/zinc/37/57/06/490375706.db2.gz UDOXZPHMZDBTNP-UHFFFAOYSA-N -1 3 373.460 0.639 10 0 FCAEHM O=C(COCCNC(=O)c1ccccc1)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000411108424 490387890 /nfs/dbraw/zinc/38/78/90/490387890.db2.gz JLFGIPVEDHZKTL-UHFFFAOYSA-N -1 3 372.385 0.082 10 0 FCAEHM O=C(COCCNC(=O)c1ccccc1)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000411108424 490387897 /nfs/dbraw/zinc/38/78/97/490387897.db2.gz JLFGIPVEDHZKTL-UHFFFAOYSA-N -1 3 372.385 0.082 10 0 FCAEHM O=C(COCCNC(=O)c1ccccc1)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000411108424 490387907 /nfs/dbraw/zinc/38/79/07/490387907.db2.gz JLFGIPVEDHZKTL-UHFFFAOYSA-N -1 3 372.385 0.082 10 0 FCAEHM CNC(=O)c1cccc(CCC(=O)Nc2[n-]nnc2C(=O)NC2CC2)c1 ZINC000411104610 490388475 /nfs/dbraw/zinc/38/84/75/490388475.db2.gz NKMOIZRQSVGIRW-UHFFFAOYSA-N -1 3 356.386 0.628 10 0 FCAEHM CNC(=O)c1cccc(CCC(=O)Nc2nn[n-]c2C(=O)NC2CC2)c1 ZINC000411104610 490388484 /nfs/dbraw/zinc/38/84/84/490388484.db2.gz NKMOIZRQSVGIRW-UHFFFAOYSA-N -1 3 356.386 0.628 10 0 FCAEHM CNC(=O)c1cccc(CCC(=O)Nc2n[n-]nc2C(=O)NC2CC2)c1 ZINC000411104610 490388489 /nfs/dbraw/zinc/38/84/89/490388489.db2.gz NKMOIZRQSVGIRW-UHFFFAOYSA-N -1 3 356.386 0.628 10 0 FCAEHM CCn1nc(C(=O)Nc2[n-]nnc2C(=O)NC2CC2)c(=O)c2ccccc21 ZINC000411105185 490388958 /nfs/dbraw/zinc/38/89/58/490388958.db2.gz RCVWIQJJYKWMGV-UHFFFAOYSA-N -1 3 367.369 0.679 10 0 FCAEHM CCn1nc(C(=O)Nc2nn[n-]c2C(=O)NC2CC2)c(=O)c2ccccc21 ZINC000411105185 490388964 /nfs/dbraw/zinc/38/89/64/490388964.db2.gz RCVWIQJJYKWMGV-UHFFFAOYSA-N -1 3 367.369 0.679 10 0 FCAEHM CCn1nc(C(=O)Nc2n[n-]nc2C(=O)NC2CC2)c(=O)c2ccccc21 ZINC000411105185 490388972 /nfs/dbraw/zinc/38/89/72/490388972.db2.gz RCVWIQJJYKWMGV-UHFFFAOYSA-N -1 3 367.369 0.679 10 0 FCAEHM COC(=O)[C@]1([N-]S(=O)(=O)N2CCc3ccccc3C2)CCSC1 ZINC000534654055 490393087 /nfs/dbraw/zinc/39/30/87/490393087.db2.gz LTTRRSVMESVCCG-HNNXBMFYSA-N -1 3 356.469 0.928 10 0 FCAEHM CS[C@H](CO)[C@@H](C)[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000534741593 490405126 /nfs/dbraw/zinc/40/51/26/490405126.db2.gz DWSJCLANQNBLEZ-NXEZZACHSA-N -1 3 353.487 0.481 10 0 FCAEHM Cc1c(CN(C)C(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)cnn1C ZINC000548071030 490416486 /nfs/dbraw/zinc/41/64/86/490416486.db2.gz BKJLVGCOADBVGX-UHFFFAOYSA-N -1 3 367.409 0.958 10 0 FCAEHM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2ccc(-n3ccnc3)nn2)s1 ZINC000548078828 490417761 /nfs/dbraw/zinc/41/77/61/490417761.db2.gz GQVUUPLFWQFUDL-UHFFFAOYSA-N -1 3 353.371 1.465 10 0 FCAEHM CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(CC(=O)OC)n[n-]2)cc1 ZINC000522925448 490420030 /nfs/dbraw/zinc/42/00/30/490420030.db2.gz WTYNTJUUXIWGII-UHFFFAOYSA-N -1 3 366.399 0.495 10 0 FCAEHM CCS(=O)(=O)c1ccc(CC(=O)Nc2nnc(CC(=O)OC)[n-]2)cc1 ZINC000522925448 490420035 /nfs/dbraw/zinc/42/00/35/490420035.db2.gz WTYNTJUUXIWGII-UHFFFAOYSA-N -1 3 366.399 0.495 10 0 FCAEHM CCS(=O)(=O)c1ccc(CC(=O)Nc2n[n-]c(CC(=O)OC)n2)cc1 ZINC000522925448 490420039 /nfs/dbraw/zinc/42/00/39/490420039.db2.gz WTYNTJUUXIWGII-UHFFFAOYSA-N -1 3 366.399 0.495 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000509385611 490421537 /nfs/dbraw/zinc/42/15/37/490421537.db2.gz VWQSBXCIIJLLNE-UHFFFAOYSA-N -1 3 369.385 0.434 10 0 FCAEHM CCCc1nc(=NC(=O)C(=O)N2CC[C@@H]3[C@H](CCCN3C)C2)s[n-]1 ZINC000411313869 490428962 /nfs/dbraw/zinc/42/89/62/490428962.db2.gz YTORVWOTUBZTKS-VXGBXAGGSA-N -1 3 351.476 0.794 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)N1CCO[C@H](C2CC2)C1 ZINC000548255635 490450233 /nfs/dbraw/zinc/45/02/33/490450233.db2.gz UEEYJFCYYRGNTM-INIZCTEOSA-N -1 3 355.394 0.895 10 0 FCAEHM C[C@@H]1OCC[C@@H]1N(CCO)C(=O)C(=O)[N-]c1nccn1-c1ccccc1 ZINC000411497498 490471988 /nfs/dbraw/zinc/47/19/88/490471988.db2.gz OGBAAIOOEVXHEC-ZFWWWQNUSA-N -1 3 358.398 0.809 10 0 FCAEHM C[C@@H](CNC(=O)C[C@@H]1NC(=O)[N-]C1=O)Oc1ccccc1Br ZINC000535337543 490480789 /nfs/dbraw/zinc/48/07/89/490480789.db2.gz XNQRRBUPGTZAGX-WPRPVWTQSA-N -1 3 370.203 0.931 10 0 FCAEHM C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000548493674 490492468 /nfs/dbraw/zinc/49/24/68/490492468.db2.gz WQCRZVYZSYWRLG-VHSXEESVSA-N -1 3 368.381 0.888 10 0 FCAEHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1C[C@H](C(N)=O)CC[C@H]1C ZINC000500235769 490493467 /nfs/dbraw/zinc/49/34/67/490493467.db2.gz ZBDIBSQAPKOTAX-NXEZZACHSA-N -1 3 367.427 0.894 10 0 FCAEHM Cc1cnc(N)c(S(=O)(=O)NC2CCN(CCCC(=O)[O-])CC2)c1 ZINC000548535486 490499323 /nfs/dbraw/zinc/49/93/23/490499323.db2.gz ILQUWRQCCOFUKE-UHFFFAOYSA-N -1 3 356.448 0.580 10 0 FCAEHM COC(=O)C1(NC(=O)CN2CCC[C@H]2c2nc(=N)n(C)[n-]2)CCCCC1 ZINC000450916530 490500649 /nfs/dbraw/zinc/50/06/49/490500649.db2.gz VWGZWFCPAMNHIV-LBPRGKRZSA-N -1 3 364.450 0.357 10 0 FCAEHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N(CCO)[C@H]1CCO[C@H]1C ZINC000485216305 490515239 /nfs/dbraw/zinc/51/52/39/490515239.db2.gz XTRJIOJVFBJWEP-ONGXEEELSA-N -1 3 356.400 0.472 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccc(F)c(F)c1)N1C[C@@H](O)C2(CC2)C1 ZINC000548651516 490522696 /nfs/dbraw/zinc/52/26/96/490522696.db2.gz WCRKEEUWKUIDNN-CYBMUJFWSA-N -1 3 360.382 0.617 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)C2(S(C)(=O)=O)CC2)s1 ZINC000510517303 490523929 /nfs/dbraw/zinc/52/39/29/490523929.db2.gz HYIJFCSXDZHDPK-MRVPVSSYSA-N -1 3 367.470 0.779 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCC[C@]2(CCOC2)C1 ZINC000571860365 491333358 /nfs/dbraw/zinc/33/33/58/491333358.db2.gz QCCDWRQMCSTIRT-HNNXBMFYSA-N -1 3 357.432 0.599 10 0 FCAEHM CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)CN2CC(=O)[N-]C2=O)cc1 ZINC000414039861 490533590 /nfs/dbraw/zinc/53/35/90/490533590.db2.gz VJNQKHOZUFKNTC-UHFFFAOYSA-N -1 3 368.415 0.254 10 0 FCAEHM CCN1CCN(CC(=O)Nc2ccc(C[C@H]3NC(=O)[N-]C3=O)cc2)CC1 ZINC000535829430 490534350 /nfs/dbraw/zinc/53/43/50/490534350.db2.gz LWLHDPRNIYGZFX-OAHLLOKOSA-N -1 3 359.430 0.013 10 0 FCAEHM NC(=O)C1CCC(NC(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)CC1 ZINC000524702617 490551895 /nfs/dbraw/zinc/55/18/95/490551895.db2.gz JKLKPCGZAFIYNO-UHFFFAOYSA-N -1 3 370.409 0.418 10 0 FCAEHM Cc1nc(CNC(=O)c2cc(C3CC3)nc3c2c(=O)[n-]c(=O)n3C)no1 ZINC000571921620 491337766 /nfs/dbraw/zinc/33/77/66/491337766.db2.gz ATKZLILWMOOTJO-UHFFFAOYSA-N -1 3 356.342 0.533 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)NCc1cccc(CO)n1 ZINC000549715217 490595726 /nfs/dbraw/zinc/59/57/26/490595726.db2.gz GQGKKWUYHVHUQR-UHFFFAOYSA-N -1 3 366.377 0.462 10 0 FCAEHM O=C(CNC(=O)c1ccc([O-])cc1)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000549816225 490609472 /nfs/dbraw/zinc/60/94/72/490609472.db2.gz SVQVBBIEIRCHAH-YOEHRIQHSA-N -1 3 362.426 0.806 10 0 FCAEHM COC(=O)c1cc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)c(OC)c(OC)c1 ZINC000536910287 490622989 /nfs/dbraw/zinc/62/29/89/490622989.db2.gz OHHGFWMCANTSNX-VIFPVBQESA-N -1 3 351.315 0.027 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)ccc1F ZINC000486517740 490642963 /nfs/dbraw/zinc/64/29/63/490642963.db2.gz LGGGLWQBRJIPAT-VHSXEESVSA-N -1 3 372.422 0.899 10 0 FCAEHM C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000564985021 491343432 /nfs/dbraw/zinc/34/34/32/491343432.db2.gz DHFRAPRQUPBAID-APIJFGDWSA-N -1 3 353.463 0.792 10 0 FCAEHM C[C@H](CNC(=O)CC[N-]S(=O)(=O)c1cccs1)N1CCCCC1=O ZINC000526014703 490665142 /nfs/dbraw/zinc/66/51/42/490665142.db2.gz WSXHDFBYHROCLL-GFCCVEGCSA-N -1 3 373.500 0.934 10 0 FCAEHM CC(=O)N1CC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000556930323 491344024 /nfs/dbraw/zinc/34/40/24/491344024.db2.gz NGCSGMBOZSRHRN-ZBFHGGJFSA-N -1 3 359.426 0.981 10 0 FCAEHM CC(C)(C)[C@@H](O)C[C@@H](CO)NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000502105912 490677049 /nfs/dbraw/zinc/67/70/49/490677049.db2.gz PBSMCIKHGIGZBH-YUMQZZPRSA-N -1 3 353.345 0.781 10 0 FCAEHM CC(C)(C)[C@@H](O)C[C@@H](CO)NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000502105912 490677052 /nfs/dbraw/zinc/67/70/52/490677052.db2.gz PBSMCIKHGIGZBH-YUMQZZPRSA-N -1 3 353.345 0.781 10 0 FCAEHM CC(C)(C)[C@@H](O)C[C@@H](CO)NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000502105912 490677055 /nfs/dbraw/zinc/67/70/55/490677055.db2.gz PBSMCIKHGIGZBH-YUMQZZPRSA-N -1 3 353.345 0.781 10 0 FCAEHM O=S(=O)([N-]CCN1CCCS1(=O)=O)c1cnccc1C(F)(F)F ZINC000526945545 490686761 /nfs/dbraw/zinc/68/67/61/490686761.db2.gz WGQXNSKKTMDOGI-UHFFFAOYSA-N -1 3 373.378 0.414 10 0 FCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000487148377 490697970 /nfs/dbraw/zinc/69/79/70/490697970.db2.gz GUEFMTLQCDYEGM-GHMZBOCLSA-N -1 3 366.418 0.304 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1 ZINC000538018768 490705441 /nfs/dbraw/zinc/70/54/41/490705441.db2.gz XIYCSFQQSYWORB-JQWIXIFHSA-N -1 3 351.334 0.920 10 0 FCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1sc(C)nc1C ZINC000487341422 490706356 /nfs/dbraw/zinc/70/63/56/490706356.db2.gz DHCHKCNPXPDFIV-HTQZYQBOSA-N -1 3 363.461 0.495 10 0 FCAEHM CCCn1c(=O)[n-]nc1S(=O)(=O)[C@@H](C)c1nnnn1-c1ccccc1 ZINC000502650682 490713714 /nfs/dbraw/zinc/71/37/14/490713714.db2.gz LXFJXGNFXYCCJY-JTQLQIEISA-N -1 3 363.403 0.904 10 0 FCAEHM O=C(NCC1CCN(c2ccccc2)CC1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000527458832 490726328 /nfs/dbraw/zinc/72/63/28/490726328.db2.gz GRWGUHPCVOCWPU-MRXNPFEDSA-N -1 3 371.441 0.849 10 0 FCAEHM O=C(CNC(=O)c1ccccn1)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1 ZINC000538822240 490751142 /nfs/dbraw/zinc/75/11/42/490751142.db2.gz IQEIQTUGXIDHOJ-CQSZACIVSA-N -1 3 367.365 0.201 10 0 FCAEHM Cc1nc(NCc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)nc(N(C)C)n1 ZINC000488418931 490760239 /nfs/dbraw/zinc/76/02/39/490760239.db2.gz UDTKMYGHJKFKLU-QGZVFWFLSA-N -1 3 355.402 0.913 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCc3cc(F)c(F)cc32)c1 ZINC000503658049 490769462 /nfs/dbraw/zinc/76/94/62/490769462.db2.gz JOTFXEXFMPGAJJ-UHFFFAOYSA-N -1 3 356.354 0.566 10 0 FCAEHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-]CC(=O)N(C)C ZINC000528289892 490785479 /nfs/dbraw/zinc/78/54/79/490785479.db2.gz CWVUMFHJJKOUEQ-UHFFFAOYSA-N -1 3 356.322 0.960 10 0 FCAEHM COc1cc(NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)c(C)c(OC)c1 ZINC000504295798 490794251 /nfs/dbraw/zinc/79/42/51/490794251.db2.gz OERZIYXXCQZBAW-UHFFFAOYSA-N -1 3 368.415 0.663 10 0 FCAEHM CCn1ncc(C[N-]S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)n1 ZINC000528445422 490798107 /nfs/dbraw/zinc/79/81/07/490798107.db2.gz DXVSFNFSEYYADC-UHFFFAOYSA-N -1 3 373.822 0.294 10 0 FCAEHM CCn1ncc(C[N-]S(=O)(=O)c2cnn(-c3ccccc3OC)c2)n1 ZINC000528445137 490798349 /nfs/dbraw/zinc/79/83/49/490798349.db2.gz CDXTWSCHAGGLFO-UHFFFAOYSA-N -1 3 362.415 0.971 10 0 FCAEHM COc1nnc(NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)[n-]1 ZINC000539936372 490801841 /nfs/dbraw/zinc/80/18/41/490801841.db2.gz ASDCSIULDPUNQG-UHFFFAOYSA-N -1 3 367.387 0.087 10 0 FCAEHM COc1nc(NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)n[n-]1 ZINC000539936372 490801842 /nfs/dbraw/zinc/80/18/42/490801842.db2.gz ASDCSIULDPUNQG-UHFFFAOYSA-N -1 3 367.387 0.087 10 0 FCAEHM COc1n[n-]c(NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)n1 ZINC000539936372 490801846 /nfs/dbraw/zinc/80/18/46/490801846.db2.gz ASDCSIULDPUNQG-UHFFFAOYSA-N -1 3 367.387 0.087 10 0 FCAEHM O=S(=O)([N-]C[C@H](O)[C@@H]1CCCO1)c1ccc(Br)cn1 ZINC000528495246 490803709 /nfs/dbraw/zinc/80/37/09/490803709.db2.gz YSIKXUGUPOZOSB-UWVGGRQHSA-N -1 3 351.222 0.662 10 0 FCAEHM O=C1CCc2cc(S(=O)(=O)[N-]C[C@@H](O)[C@H]3CCCO3)c(F)cc2N1 ZINC000528495380 490803816 /nfs/dbraw/zinc/80/38/16/490803816.db2.gz ZFDRMPBRBRUJPH-CHWSQXEVSA-N -1 3 358.391 0.529 10 0 FCAEHM COC(=O)c1ccc(CNC(=O)c2cn(C)c(=O)[n-]c2=O)nc1C1CC1 ZINC000504822054 490812889 /nfs/dbraw/zinc/81/28/89/490812889.db2.gz QTEIGDONGCBJOB-UHFFFAOYSA-N -1 3 358.354 0.475 10 0 FCAEHM CCS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)cc1 ZINC000515314839 490817801 /nfs/dbraw/zinc/81/78/01/490817801.db2.gz QOPCJOVITZAGBC-CYBMUJFWSA-N -1 3 363.443 0.999 10 0 FCAEHM O=C(Cn1cc(I)c(=O)[n-]c1=O)C1CCOCC1 ZINC000566499220 491448758 /nfs/dbraw/zinc/44/87/58/491448758.db2.gz XWROAFPQZQCXNN-UHFFFAOYSA-N -1 3 364.139 0.549 10 0 FCAEHM O=C(c1ccc(O[C@H]2CC2(F)F)cc1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000528782979 490827855 /nfs/dbraw/zinc/82/78/55/490827855.db2.gz LERIDNDYFQCTNS-RYUDHWBXSA-N -1 3 351.309 0.849 10 0 FCAEHM COc1ccc(CC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)cc1OC(F)F ZINC000528782908 490827919 /nfs/dbraw/zinc/82/79/19/490827919.db2.gz KFYRWOUOBKNHBG-SNVBAGLBSA-N -1 3 369.324 0.602 10 0 FCAEHM O=C(c1ccc(O[C@@H]2CC2(F)F)cc1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000528782983 490828188 /nfs/dbraw/zinc/82/81/88/490828188.db2.gz LERIDNDYFQCTNS-VXGBXAGGSA-N -1 3 351.309 0.849 10 0 FCAEHM CN(CCC(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])c1ccncc1 ZINC000540925554 490839959 /nfs/dbraw/zinc/83/99/59/490839959.db2.gz XHDWXZSYQQORLN-UHFFFAOYSA-N -1 3 350.400 0.900 10 0 FCAEHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)C2CN(C(=O)c3ccccc3)C2)o1 ZINC000540933121 490840780 /nfs/dbraw/zinc/84/07/80/490840780.db2.gz CWZBTHGAJHKQRD-SNVBAGLBSA-N -1 3 350.400 0.883 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]CCc2nnc3n2CCC3)c(F)c1 ZINC000516129432 490852762 /nfs/dbraw/zinc/85/27/62/490852762.db2.gz OAVFKEQGWXLSAQ-UHFFFAOYSA-N -1 3 368.390 0.671 10 0 FCAEHM C[C@H](C(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1)N1C(=O)c2ccccc2C1=O ZINC000516301191 490860361 /nfs/dbraw/zinc/86/03/61/490860361.db2.gz NCZVDVVQEYFCQM-ZWNOBZJWSA-N -1 3 368.397 0.576 10 0 FCAEHM COc1ccc(CN2CC[C@@H]2CNC(=O)c2[nH]c(=O)[n-]c(=O)c2N)cc1 ZINC000529829355 490879145 /nfs/dbraw/zinc/87/91/45/490879145.db2.gz BSCHPAWXYCPFCE-LLVKDONJSA-N -1 3 359.386 0.483 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(C)(N3CCOCC3)CC2)o1 ZINC000529912759 490881247 /nfs/dbraw/zinc/88/12/47/490881247.db2.gz AOQSJRRYAGXZJC-UHFFFAOYSA-N -1 3 371.459 0.515 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCCN(Cc3nccn3C)C2=O)o1 ZINC000542123432 490886484 /nfs/dbraw/zinc/88/64/84/490886484.db2.gz TYPCUTBDMOAROL-LBPRGKRZSA-N -1 3 352.416 0.791 10 0 FCAEHM C[C@@H]1CCN(C(=O)C(=O)NCc2cccc(CN(C)C)c2)C[C@@H]1C(=O)[O-] ZINC000517236485 490900798 /nfs/dbraw/zinc/90/07/98/490900798.db2.gz XZTOBKJXNFNEOE-CJNGLKHVSA-N -1 3 361.442 0.934 10 0 FCAEHM COC(=O)c1ncccc1S(=O)(=O)[N-][C@H](CO)C[C@H](O)C(C)(C)C ZINC000517247726 490901427 /nfs/dbraw/zinc/90/14/27/490901427.db2.gz RJZVIAXMADPVFD-JQWIXIFHSA-N -1 3 360.432 0.305 10 0 FCAEHM O=C(N[C@H]1CNC(=O)C1)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000542637646 490902774 /nfs/dbraw/zinc/90/27/74/490902774.db2.gz PMJPSZNGYJTUKA-SECBINFHSA-N -1 3 366.374 0.573 10 0 FCAEHM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)C[C@@H]1C(=O)[O-] ZINC000517371336 490905959 /nfs/dbraw/zinc/90/59/59/490905959.db2.gz RRAKXANDNAIXEA-KFWWJZLASA-N -1 3 351.447 0.642 10 0 FCAEHM C[C@@H](CN1CCOCC1)C(=O)NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000543110074 490922668 /nfs/dbraw/zinc/92/26/68/490922668.db2.gz KAMXWOKGJCCNOK-ORAYPTAESA-N -1 3 374.441 0.326 10 0 FCAEHM CN1C(=O)CC[C@@H](NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C1=O ZINC000572357840 491364685 /nfs/dbraw/zinc/36/46/85/491364685.db2.gz LFUYBNJJGNCOSA-CHWSQXEVSA-N -1 3 359.382 0.260 10 0 FCAEHM COC(=O)[C@@H](c1c(F)cccc1Cl)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000543194422 490925099 /nfs/dbraw/zinc/92/50/99/490925099.db2.gz PKKWCNGRDJDYDQ-ZYHUDNBSSA-N -1 3 355.753 0.929 10 0 FCAEHM O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)[C@@H](O)C1CCOCC1 ZINC000531059383 490938958 /nfs/dbraw/zinc/93/89/58/490938958.db2.gz HZWCZXAINFXKGC-HNNXBMFYSA-N -1 3 372.418 0.992 10 0 FCAEHM C[C@]1(c2ccc(CNC(=O)NCCCn3ccnn3)cc2)NC(=O)[N-]C1=O ZINC000544250818 490962734 /nfs/dbraw/zinc/96/27/34/490962734.db2.gz USYXWBAOFGGXHQ-QGZVFWFLSA-N -1 3 371.401 0.222 10 0 FCAEHM COC[C@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)c1ccc(F)cc1 ZINC000531788117 490973929 /nfs/dbraw/zinc/97/39/29/490973929.db2.gz CJWUTGKJAXMXAK-ZDUSSCGKSA-N -1 3 370.406 0.341 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CC[C@H](C(C)(C)C)[C@@H](O)C2)cn1C ZINC000544656633 490974795 /nfs/dbraw/zinc/97/47/95/490974795.db2.gz SNCJGTZZSZBUSB-STQMWFEESA-N -1 3 372.491 0.262 10 0 FCAEHM CCN1C(=O)CCc2cc(NC(=O)N3CCN4C(=O)[N-]C(=O)[C@@H]4C3)ccc21 ZINC000544798357 490981309 /nfs/dbraw/zinc/98/13/09/490981309.db2.gz YTEWZFAGEONXEB-AWEZNQCLSA-N -1 3 371.397 0.754 10 0 FCAEHM COc1cccc(C[C@@H](C)NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)c1 ZINC000532045167 490983928 /nfs/dbraw/zinc/98/39/28/490983928.db2.gz XRODWSNOJKOGHY-GFCCVEGCSA-N -1 3 366.443 0.454 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-]Cc2nccc(C(F)(F)F)n2)CC1 ZINC000601438957 491919888 /nfs/dbraw/zinc/91/98/88/491919888.db2.gz DOZZKLPVGQMWMM-UHFFFAOYSA-N -1 3 353.322 0.868 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CF)C(=O)OC)c(Cl)c1 ZINC000553912484 491163909 /nfs/dbraw/zinc/16/39/09/491163909.db2.gz UUUWZBGJANDNSR-VIFPVBQESA-N -1 3 353.755 0.916 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CF)C(=O)OC)c(Cl)c1 ZINC000553912478 491163979 /nfs/dbraw/zinc/16/39/79/491163979.db2.gz UUUWZBGJANDNSR-SECBINFHSA-N -1 3 353.755 0.916 10 0 FCAEHM CCOC(=O)c1[nH]c(C)c(C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1C ZINC000562499956 491170563 /nfs/dbraw/zinc/17/05/63/491170563.db2.gz NTQIPRPFSKFSOI-QGZVFWFLSA-N -1 3 362.386 0.622 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)c2ccc(CN3CCOCC3)cn2)n[n-]1 ZINC000572416702 491368640 /nfs/dbraw/zinc/36/86/40/491368640.db2.gz YWYJYQAHMACLID-UHFFFAOYSA-N -1 3 367.413 1.290 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)c2ccc(CN3CCOCC3)cn2)[n-]n1 ZINC000572416702 491368643 /nfs/dbraw/zinc/36/86/43/491368643.db2.gz YWYJYQAHMACLID-UHFFFAOYSA-N -1 3 367.413 1.290 10 0 FCAEHM O=C([C@H]1CC(=O)N(c2ccccc2)C1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000572708869 491388175 /nfs/dbraw/zinc/38/81/75/491388175.db2.gz PGCJAANUBGVBPN-SGTLLEGYSA-N -1 3 356.382 0.240 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](CO)[C@@H]1CCCOC1 ZINC000573022092 491408033 /nfs/dbraw/zinc/40/80/33/491408033.db2.gz SREFCTTUNIMWQR-NEPJUHHUSA-N -1 3 363.457 0.156 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(CN2C(=O)CNC2=O)cc1)C1CC1 ZINC000566008875 491412286 /nfs/dbraw/zinc/41/22/86/491412286.db2.gz OQTFHDFMWROBML-AWEZNQCLSA-N -1 3 367.427 0.905 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCO[C@@H](C3CCC3)C2)cn1C ZINC000566055463 491414711 /nfs/dbraw/zinc/41/47/11/491414711.db2.gz RTZHTPZIKCBCEB-CYBMUJFWSA-N -1 3 356.448 0.034 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000566166421 491422110 /nfs/dbraw/zinc/42/21/10/491422110.db2.gz GDKICHHSPWECGQ-NSHDSACASA-N -1 3 372.424 0.805 10 0 FCAEHM O=S(=O)([N-]C1CCN(S(=O)(=O)C2CC2)CC1)c1cscn1 ZINC000566170815 491422626 /nfs/dbraw/zinc/42/26/26/491422626.db2.gz UVLAYGQYJZNYRU-UHFFFAOYSA-N -1 3 351.475 0.378 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]c1ccc([C@]2(C)NC(=O)NC2=O)cc1)C1CC1 ZINC000566211678 491426237 /nfs/dbraw/zinc/42/62/37/491426237.db2.gz PUDJDWCVNVLMIE-CJNGLKHVSA-N -1 3 367.427 0.908 10 0 FCAEHM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N1CCNC[C@](C)(F)C1 ZINC000566251939 491431037 /nfs/dbraw/zinc/43/10/37/491431037.db2.gz ZOKFWJLNIATJHY-KRWDZBQOSA-N -1 3 360.393 0.650 10 0 FCAEHM Cc1cccc([C@@H](CC(=O)N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)NC(N)=O)c1 ZINC000573731451 491451643 /nfs/dbraw/zinc/45/16/43/491451643.db2.gz FOVOJEWDLPJASP-ZIAGYGMSSA-N -1 3 371.445 0.999 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)Cn2c(=O)cnc3ccccc32)nc1=N ZINC000559256296 491458596 /nfs/dbraw/zinc/45/85/96/491458596.db2.gz CSBOXTBWMQCNLW-CYBMUJFWSA-N -1 3 353.386 0.301 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)c2ccc3c(c2)NC(=O)CCN3C)nc1=N ZINC000559257495 491458638 /nfs/dbraw/zinc/45/86/38/491458638.db2.gz KWNLAICNVKCNHD-AWEZNQCLSA-N -1 3 369.429 0.983 10 0 FCAEHM O=S(=O)([N-][C@H]1CCCN(c2ncccn2)C1)c1cnn2c1OCCC2 ZINC000573856745 491459557 /nfs/dbraw/zinc/45/95/57/491459557.db2.gz ORSRLWKGIIVXRQ-LBPRGKRZSA-N -1 3 364.431 0.403 10 0 FCAEHM O=C(Nc1ccc(F)cc1)C1(C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)CC1 ZINC000567439237 491507029 /nfs/dbraw/zinc/50/70/29/491507029.db2.gz NSHTZVODENTREX-SFHVURJKSA-N -1 3 374.372 0.745 10 0 FCAEHM C[C@@H]1CCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C[C@H]1C(=O)[O-] ZINC000574916719 491527704 /nfs/dbraw/zinc/52/77/04/491527704.db2.gz CUSVZHWVQRZFOX-XHBSWPGZSA-N -1 3 357.476 0.109 10 0 FCAEHM CN(C)S(=O)(=O)c1cccc(C[N-]S(=O)(=O)c2cscn2)c1 ZINC000567783089 491529355 /nfs/dbraw/zinc/52/93/55/491529355.db2.gz LWWOZMUNRKLAFO-UHFFFAOYSA-N -1 3 361.470 0.872 10 0 FCAEHM CCS(=O)(=O)NCCS(=O)(=O)[N-][C@@H](c1ccccc1F)[C@@H](C)O ZINC000568032759 491549035 /nfs/dbraw/zinc/54/90/35/491549035.db2.gz QNHHXHWKEOMSJI-ZWNOBZJWSA-N -1 3 368.452 0.106 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]CC(=O)NCc1ccco1 ZINC000575738593 491557524 /nfs/dbraw/zinc/55/75/24/491557524.db2.gz UPLWHCBQNIVSMF-UHFFFAOYSA-N -1 3 370.383 0.871 10 0 FCAEHM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1C[C@@H](C)N(CCO)C[C@H]1C ZINC000568227581 491561408 /nfs/dbraw/zinc/56/14/08/491561408.db2.gz NALXVBZVGVMESW-VXGBXAGGSA-N -1 3 361.446 0.508 10 0 FCAEHM Cc1ccnc([C@@H]2CCN(C(=O)C[N-]S(=O)(=O)c3cn(C)cn3)C2)c1 ZINC000568294095 491567869 /nfs/dbraw/zinc/56/78/69/491567869.db2.gz ZLIBYVCASQSJOB-CYBMUJFWSA-N -1 3 363.443 0.418 10 0 FCAEHM C[C@H]1CCCc2nc(S(=O)(=O)[N-]C[C@H]3CCCCN3CCO)cn21 ZINC000561104338 491574668 /nfs/dbraw/zinc/57/46/68/491574668.db2.gz OHMIVVFWEGCTTG-UONOGXRCSA-N -1 3 356.492 0.906 10 0 FCAEHM CC[C@H](C)NC(=O)Cn1cc(I)c(=O)[n-]c1=O ZINC000576292057 491602221 /nfs/dbraw/zinc/60/22/21/491602221.db2.gz AGBJLTYGHBOTDW-LURJTMIESA-N -1 3 351.144 0.468 10 0 FCAEHM CN(C)S(=O)(=O)N1CCC[C@@H]([N-]S(=O)(=O)c2cccs2)C1 ZINC000561563378 491617195 /nfs/dbraw/zinc/61/71/95/491617195.db2.gz GLIBOFPXUWDGOV-SNVBAGLBSA-N -1 3 353.491 0.297 10 0 FCAEHM CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC000561845882 491633874 /nfs/dbraw/zinc/63/38/74/491633874.db2.gz FPNFJRDAFDJKLT-HNNXBMFYSA-N -1 3 355.398 0.917 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N[C@@H](CO)c1ccsc1 ZINC000569130715 491636131 /nfs/dbraw/zinc/63/61/31/491636131.db2.gz PPZUIDQSKYLGNS-NSHDSACASA-N -1 3 359.429 0.481 10 0 FCAEHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC000576719454 491639398 /nfs/dbraw/zinc/63/93/98/491639398.db2.gz XXUJURYRFMXOEP-RYUDHWBXSA-N -1 3 367.514 0.834 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)NC[C@@H]2CC3CCC2CC3)cn1C ZINC000569245568 491645534 /nfs/dbraw/zinc/64/55/34/491645534.db2.gz RXJNYWODHFSAJD-RUXDESIVSA-N -1 3 354.476 0.949 10 0 FCAEHM CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)c2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000569472933 491664826 /nfs/dbraw/zinc/66/48/26/491664826.db2.gz NQRHQHGATOUFFR-LLVKDONJSA-N -1 3 369.447 0.060 10 0 FCAEHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]CCS(=O)(=O)NC3CC3)cn21 ZINC000578225758 491672582 /nfs/dbraw/zinc/67/25/82/491672582.db2.gz WQVXCRYNDKOPEF-SNVBAGLBSA-N -1 3 362.477 0.141 10 0 FCAEHM COCCCn1nc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)ccc1=O ZINC000668443673 493356510 /nfs/dbraw/zinc/35/65/10/493356510.db2.gz BJJWIEGRMYGBNS-UHFFFAOYSA-N -1 3 369.385 0.390 10 0 FCAEHM COCCCn1nc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)ccc1=O ZINC000668443673 493356513 /nfs/dbraw/zinc/35/65/13/493356513.db2.gz BJJWIEGRMYGBNS-UHFFFAOYSA-N -1 3 369.385 0.390 10 0 FCAEHM Cn1nnnc1SCCC(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000578476761 491678038 /nfs/dbraw/zinc/67/80/38/491678038.db2.gz MNPIELOKHJHMBZ-UHFFFAOYSA-N -1 3 363.403 0.227 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCC[C@@H]2COCC[C@H]21 ZINC000578584233 491680334 /nfs/dbraw/zinc/68/03/34/491680334.db2.gz HNWIDOXHZBSSDJ-CHWSQXEVSA-N -1 3 357.432 0.597 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCOC[C@@H]2CC2CCC2)cn1C ZINC000579033373 491689548 /nfs/dbraw/zinc/68/95/48/491689548.db2.gz JESWREQIAQODTF-AWEZNQCLSA-N -1 3 370.475 0.424 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C[C@@H]1CCCN(C(N)=O)C1 ZINC000579888267 491708263 /nfs/dbraw/zinc/70/82/63/491708263.db2.gz PPPVAUOTGTZRLJ-NSHDSACASA-N -1 3 373.431 0.752 10 0 FCAEHM C[C@H]1Oc2ccccc2N(CC(=O)N2CCC[C@H]2c2nc(=N)n(C)[n-]2)C1=O ZINC000584668221 491709696 /nfs/dbraw/zinc/70/96/96/491709696.db2.gz PRHQPDGEQNRXPV-YPMHNXCESA-N -1 3 370.413 0.705 10 0 FCAEHM COCc1ccccc1CS(=O)(=O)[N-]CC(=O)Nc1ccn(C)n1 ZINC000580855084 491749071 /nfs/dbraw/zinc/74/90/71/491749071.db2.gz HYFLZUQGUGGFKX-UHFFFAOYSA-N -1 3 352.416 0.625 10 0 FCAEHM NC(=O)[C@H](CNC(=O)CNC(=O)c1ccc([O-])cc1)Cc1ccc(F)cc1 ZINC000589691082 491765145 /nfs/dbraw/zinc/76/51/45/491765145.db2.gz TVMAKMIKXKRBTK-AWEZNQCLSA-N -1 3 373.384 0.722 10 0 FCAEHM CCOC(=O)C[C@H](CO)NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000590554564 491779127 /nfs/dbraw/zinc/77/91/27/491779127.db2.gz FCCUBESPUQKLLK-GFCCVEGCSA-N -1 3 352.387 0.251 10 0 FCAEHM O=S(=O)([N-]C[C@@H](O)CN1CCc2ccccc2C1)c1cscn1 ZINC000581723726 491784238 /nfs/dbraw/zinc/78/42/38/491784238.db2.gz SXTRYBFHSRUNQG-CQSZACIVSA-N -1 3 353.469 0.841 10 0 FCAEHM C[C@@H]1CN(c2cccc3cnccc32)CCN1C(=O)CN1CC(=O)[N-]C1=O ZINC000581918622 491790531 /nfs/dbraw/zinc/79/05/31/491790531.db2.gz AZEUBJHQSVQNQG-CYBMUJFWSA-N -1 3 367.409 0.824 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@@H](CO)[C@H]1CCCOC1 ZINC000582133203 491799782 /nfs/dbraw/zinc/79/97/82/491799782.db2.gz MVWGLBFUGJZGAQ-RYUDHWBXSA-N -1 3 361.416 0.749 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-][C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c1 ZINC000673825935 493364951 /nfs/dbraw/zinc/36/49/51/493364951.db2.gz ROVABXSEIVSXNN-JQWIXIFHSA-N -1 3 352.420 0.109 10 0 FCAEHM COC[C@](C)([N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C)C(=O)OC ZINC000592035998 491828367 /nfs/dbraw/zinc/82/83/67/491828367.db2.gz NSZIWOIDKJQBKV-AWEZNQCLSA-N -1 3 362.404 0.146 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CC[C@H](C)[S@](C)=O)coc1C(=O)N(C)C ZINC000592039381 491828696 /nfs/dbraw/zinc/82/86/96/491828696.db2.gz JLBPLVGIWCTHNF-FPVGNUTFSA-N -1 3 350.462 0.725 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CC2([S@@](C)=O)CCC2)coc1C(=O)N(C)C ZINC000592048921 491829398 /nfs/dbraw/zinc/82/93/98/491829398.db2.gz QUHYLJBTCJAGSF-JOCHJYFZSA-N -1 3 362.473 0.869 10 0 FCAEHM Cn1ccc(S(=O)(=O)[N-]CC2(C(=O)OC(C)(C)C)CCOCC2)n1 ZINC000592071866 491830196 /nfs/dbraw/zinc/83/01/96/491830196.db2.gz SRNBPMXXBRJXOU-UHFFFAOYSA-N -1 3 359.448 0.837 10 0 FCAEHM COC(=O)[C@@H](CC(C)(C)C)[N-]S(=O)(=O)N1CCC(C(=O)OC)CC1 ZINC000592075447 491830522 /nfs/dbraw/zinc/83/05/22/491830522.db2.gz KJLWTJAHGXOIFO-GFCCVEGCSA-N -1 3 364.464 0.684 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-]CC(C)(C)[C@@]2(O)CCOC2)oc1C ZINC000592087701 491831451 /nfs/dbraw/zinc/83/14/51/491831451.db2.gz RZLZMGOXCLVCRB-OAHLLOKOSA-N -1 3 361.416 0.831 10 0 FCAEHM CC(C)OC[C@H](O)Cn1cc(I)c(=O)[n-]c1=O ZINC000584005401 491856598 /nfs/dbraw/zinc/85/65/98/491856598.db2.gz SLCCXRRGTHOUEC-SSDOTTSWSA-N -1 3 354.144 0.339 10 0 FCAEHM Cc1cc(C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)c(C)n1C1CCOCC1 ZINC000611956647 491885510 /nfs/dbraw/zinc/88/55/10/491885510.db2.gz QIAUEXNDNIFQCQ-HNNXBMFYSA-N -1 3 360.414 0.833 10 0 FCAEHM COC(=O)c1ncccc1S(=O)(=O)[N-][C@@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000594849003 491866396 /nfs/dbraw/zinc/86/63/96/491866396.db2.gz IJVRVZVBFIUZCC-NXEZZACHSA-N -1 3 362.429 0.112 10 0 FCAEHM COC(=O)[C@@](C)(CCF)[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000594867200 491868514 /nfs/dbraw/zinc/86/85/14/491868514.db2.gz ZIPBHDUPUYKRTP-CQSZACIVSA-N -1 3 364.395 0.859 10 0 FCAEHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCC[C@](CO)(OC)C1 ZINC000595123833 491885906 /nfs/dbraw/zinc/88/59/06/491885906.db2.gz FPTKWMGNXBMSTC-INIZCTEOSA-N -1 3 370.427 0.782 10 0 FCAEHM COC(=O)c1ccc(NC(=O)C[N-]S(=O)(=O)CCOC(C)C)cn1 ZINC000611882361 491880664 /nfs/dbraw/zinc/88/06/64/491880664.db2.gz MISJOGWHMVCSLU-UHFFFAOYSA-N -1 3 359.404 0.151 10 0 FCAEHM Cc1c(Br)cncc1C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000611957124 491885233 /nfs/dbraw/zinc/88/52/33/491885233.db2.gz UNMOOROSOJUIBK-SNVBAGLBSA-N -1 3 353.176 0.529 10 0 FCAEHM CC(C)(C)OC(=O)[C@]12COC[C@H]1CN(C(=O)C(=O)[N-]c1cnns1)C2 ZINC000595149895 491889894 /nfs/dbraw/zinc/88/98/94/491889894.db2.gz GHWIUFLQZNYEFP-RFAUZJTJSA-N -1 3 368.415 0.293 10 0 FCAEHM CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)CN1CC(=O)[N-]C1=O)O[C@H](C)C2 ZINC000601004719 491892884 /nfs/dbraw/zinc/89/28/84/491892884.db2.gz NEPCADNRLSDWRO-OSMZGAPFSA-N -1 3 373.409 0.933 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NCc1cccc(COC2CCOCC2)c1 ZINC000601040259 491894883 /nfs/dbraw/zinc/89/48/83/491894883.db2.gz HSLXBPXJAUPFQZ-UHFFFAOYSA-N -1 3 361.398 0.550 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-][C@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000601322049 491903904 /nfs/dbraw/zinc/90/39/04/491903904.db2.gz YKTMSQWQUPWXMW-AWEZNQCLSA-N -1 3 366.439 0.660 10 0 FCAEHM CCOC(=O)[C@@]1([N-]S(=O)(=O)C[C@H]2CNCCO2)CCc2ccccc21 ZINC000601339764 491905430 /nfs/dbraw/zinc/90/54/30/491905430.db2.gz GWGICDUFJDICAJ-RHSMWYFYSA-N -1 3 368.455 0.299 10 0 FCAEHM CCOC(=O)[C@@H]([N-]S(=O)(=O)C[C@@H]1CNCCO1)C1CCCCCC1 ZINC000601344507 491906679 /nfs/dbraw/zinc/90/66/79/491906679.db2.gz ZXTHSIONKXKRKR-GJZGRUSLSA-N -1 3 362.492 0.796 10 0 FCAEHM COC(=O)[C@@]1([N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)CCSC1 ZINC000601379371 491910495 /nfs/dbraw/zinc/91/04/95/491910495.db2.gz JFDHFPSHUZSXEE-SNVBAGLBSA-N -1 3 373.378 0.766 10 0 FCAEHM COCC[C@@H]([N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C)C(=O)OC ZINC000601415166 491915485 /nfs/dbraw/zinc/91/54/85/491915485.db2.gz APMXIOYVVHTFAZ-MRVPVSSYSA-N -1 3 359.326 0.295 10 0 FCAEHM COC(=O)[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000601465591 491923432 /nfs/dbraw/zinc/92/34/32/491923432.db2.gz XDBKSZXENZTQNH-JGVFFNPUSA-N -1 3 357.310 0.048 10 0 FCAEHM Cn1nncc1CC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000612839715 491954759 /nfs/dbraw/zinc/95/47/59/491954759.db2.gz SRKYQGYPCYUJJV-UHFFFAOYSA-N -1 3 363.852 0.167 10 0 FCAEHM CN(C(=O)CC[C@@H]1NC(=O)[N-]C1=O)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000602213875 491968575 /nfs/dbraw/zinc/96/85/75/491968575.db2.gz XCVQIDXPLJSFFL-WCQYABFASA-N -1 3 362.361 0.378 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2c2ncc(I)cn2)nc1=N ZINC000596252246 491981268 /nfs/dbraw/zinc/98/12/68/491981268.db2.gz HWGMYXTWHVTSBS-MRVPVSSYSA-N -1 3 371.186 0.964 10 0 FCAEHM CC(C)(C)OC(=O)C1(CNC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)CCC1 ZINC000596944158 492006144 /nfs/dbraw/zinc/00/61/44/492006144.db2.gz QJKDERGYLJGTHJ-NSHDSACASA-N -1 3 366.418 0.444 10 0 FCAEHM CN1CCN(c2cccc(C(=O)N3CCC[C@@H](c4n[n-]c(=O)o4)C3)n2)CC1 ZINC000614389278 492027604 /nfs/dbraw/zinc/02/76/04/492027604.db2.gz KWTLWJUZONSUFY-CYBMUJFWSA-N -1 3 372.429 0.942 10 0 FCAEHM COC(=O)c1cc(C(=O)N2CCC[C@H]2C[C@]2(C)NC(=O)[N-]C2=O)c(C)o1 ZINC000597650655 492056353 /nfs/dbraw/zinc/05/63/53/492056353.db2.gz ZGDJSUWHHZCQQN-BTDLBPIBSA-N -1 3 363.370 0.967 10 0 FCAEHM COC[C@]1(C(=O)N[C@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])CCOC1 ZINC000614816724 492057177 /nfs/dbraw/zinc/05/71/77/492057177.db2.gz JEHLHYYETBCWKK-PSTGCABASA-N -1 3 351.403 0.920 10 0 FCAEHM C[C@@H](NC(=O)c1cnc2n1CCOC2)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000614824592 492057863 /nfs/dbraw/zinc/05/78/63/492057863.db2.gz WBPTUEWKFYSGJY-GHMZBOCLSA-N -1 3 359.386 0.907 10 0 FCAEHM O=S1(=O)[N-]C(CN2CCN([C@H]3CCC[C@@H]3O)CC2)=Nc2ccccc21 ZINC000604386522 492059474 /nfs/dbraw/zinc/05/94/74/492059474.db2.gz RWMUBVFVIKLYHP-GJZGRUSLSA-N -1 3 364.471 0.540 10 0 FCAEHM CCS(=O)(=O)c1ccc(CC(=O)NCCCc2cc(=O)[nH][n-]2)cc1 ZINC000614920905 492064369 /nfs/dbraw/zinc/06/43/69/492064369.db2.gz ILYABAUIBURYCI-UHFFFAOYSA-N -1 3 351.428 0.795 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@]2(COC)C(=O)OC)c(C)o1 ZINC000597959566 492075591 /nfs/dbraw/zinc/07/55/91/492075591.db2.gz UKBOTSOZORIZQD-HNNXBMFYSA-N -1 3 374.415 0.290 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CC(CN2CCOCC2)C1 ZINC000615149352 492075645 /nfs/dbraw/zinc/07/56/45/492075645.db2.gz ZUQHXVZTLSIFMO-UHFFFAOYSA-N -1 3 373.500 0.207 10 0 FCAEHM COC(=O)[C@@H]1OCC[C@@H]1NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000598012615 492078668 /nfs/dbraw/zinc/07/86/68/492078668.db2.gz RJWPQSXVIVAMIM-SWLSCSKDSA-N -1 3 350.371 0.267 10 0 FCAEHM COC(=O)[C@](C)(CCF)NC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000598284817 492093292 /nfs/dbraw/zinc/09/32/92/492093292.db2.gz JVIXEGOSEGMNHX-DLBZAZTESA-N -1 3 365.361 0.762 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCc1ccc(=O)[nH]c1 ZINC000605442307 492095674 /nfs/dbraw/zinc/09/56/74/492095674.db2.gz GTULRKMQBIDLRO-JTQLQIEISA-N -1 3 353.375 0.910 10 0 FCAEHM CC(C)(C)OC(=O)[C@](C)(NC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1ccccc1 ZINC000598504375 492102329 /nfs/dbraw/zinc/10/23/29/492102329.db2.gz AIBGWCVODZIQLH-KPZWWZAWSA-N -1 3 361.398 0.958 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)[C@@H](C)NC(=O)c2cccs2)[n-]1 ZINC000615918944 492107265 /nfs/dbraw/zinc/10/72/65/492107265.db2.gz LJEACWXAXWCUSM-MRVPVSSYSA-N -1 3 351.388 0.478 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)[n-]1 ZINC000615920202 492107604 /nfs/dbraw/zinc/10/76/04/492107604.db2.gz OYGVIXQQCQGXKM-JTQLQIEISA-N -1 3 361.333 0.863 10 0 FCAEHM CCOC(=O)[C@@H]1CCN(Cc2cc(=O)n3nc(N)[n-]c3n2)c2ccccc21 ZINC000598605994 492107653 /nfs/dbraw/zinc/10/76/53/492107653.db2.gz FKINALOJGDZICO-CYBMUJFWSA-N -1 3 368.397 0.887 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1C(F)(F)F)N1CCC12COC2 ZINC000615936407 492108749 /nfs/dbraw/zinc/10/87/49/492108749.db2.gz FBXIAIPXUVEJCB-UHFFFAOYSA-N -1 3 364.345 0.985 10 0 FCAEHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)CN1CCN(C2CC2)C1=O ZINC000598832988 492119104 /nfs/dbraw/zinc/11/91/04/492119104.db2.gz SQGJEYWBRSWJPP-UHFFFAOYSA-N -1 3 364.358 0.426 10 0 FCAEHM CC1(C)Oc2ccsc2[C@@H](NC(=O)CC[C@@H]2NC(=O)[N-]C2=O)[C@@H]1O ZINC000616225231 492121708 /nfs/dbraw/zinc/12/17/08/492121708.db2.gz IEVZJFROJFCWSU-KOLSJAJHSA-N -1 3 353.400 0.426 10 0 FCAEHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@H]2CCC(=O)N(C)C2)s1 ZINC000606463797 492123555 /nfs/dbraw/zinc/12/35/55/492123555.db2.gz UPWAEPVQOLGBGV-KOLCDFICSA-N -1 3 359.473 0.844 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-][C@H]2c3ccccc3CN(C)C2=O)CCC1 ZINC000598941551 492126160 /nfs/dbraw/zinc/12/61/60/492126160.db2.gz XEOGTVTURDTYLF-AWEZNQCLSA-N -1 3 366.439 0.962 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H]2CCc3nc(C)nn3C2)on1 ZINC000599231151 492146053 /nfs/dbraw/zinc/14/60/53/492146053.db2.gz VKHPHZNOWYXMBU-SNVBAGLBSA-N -1 3 369.403 0.186 10 0 FCAEHM O=C(N[C@H]1CCNC1=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000616966049 492150438 /nfs/dbraw/zinc/15/04/38/492150438.db2.gz HTBABAPGUQRMJI-JTQLQIEISA-N -1 3 369.424 0.438 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]CC2(OC)CCOCC2)on1 ZINC000599262874 492151143 /nfs/dbraw/zinc/15/11/43/492151143.db2.gz NTHVHVJQSHHCNW-UHFFFAOYSA-N -1 3 362.404 0.466 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NC[C@H]1CCN(c2ccccc2Cl)C1 ZINC000617118009 492155453 /nfs/dbraw/zinc/15/54/53/492155453.db2.gz GYKRWNJUHBSNSM-LLVKDONJSA-N -1 3 350.806 0.834 10 0 FCAEHM COC(=O)[C@@H](O)C(C)(C)[N-]S(=O)(=O)c1cccnc1OCC(F)F ZINC000599289662 492155795 /nfs/dbraw/zinc/15/57/95/492155795.db2.gz HWYXQIBLMYSJND-SNVBAGLBSA-N -1 3 368.358 0.316 10 0 FCAEHM CO[C@H](CNC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)[C@H]1CCOC1 ZINC000617138837 492156474 /nfs/dbraw/zinc/15/64/74/492156474.db2.gz WYCHOUBAIBBRQI-WPKBUWHJSA-N -1 3 361.398 0.523 10 0 FCAEHM CO[C@@H](CNC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)[C@@H]1CCOC1 ZINC000617142662 492156514 /nfs/dbraw/zinc/15/65/14/492156514.db2.gz HWLNLMFIPVMJIU-RISCZKNCSA-N -1 3 360.407 0.979 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]CC[C@@]2(O)CCCOC2)on1 ZINC000599344567 492163110 /nfs/dbraw/zinc/16/31/10/492163110.db2.gz ZIRPXFOSEPIBPF-AWEZNQCLSA-N -1 3 362.404 0.202 10 0 FCAEHM Cn1c(NC(=O)C[N-]S(=O)(=O)c2ccccc2F)nnc1C1CC1 ZINC000617292439 492163263 /nfs/dbraw/zinc/16/32/63/492163263.db2.gz GEZPLQOIWILQMW-UHFFFAOYSA-N -1 3 353.379 0.749 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccc(F)c(F)c1)N[C@@H](CO)C1CCC1 ZINC000617297899 492163276 /nfs/dbraw/zinc/16/32/76/492163276.db2.gz FTMQLBWHWHSMJB-AWEZNQCLSA-N -1 3 362.398 0.910 10 0 FCAEHM C[C@H]1C[C@H]([N-]S(=O)(=O)N2CCC[C@@H](C)C2)C(=O)N1c1cnn(C)c1 ZINC000608049563 492164270 /nfs/dbraw/zinc/16/42/70/492164270.db2.gz AAVYWIQSKIQSCO-DYEKYZERSA-N -1 3 355.464 0.480 10 0 FCAEHM C[C@@H]1C[C@@H](NC(=O)CC[N-]S(=O)(=O)c2ccccc2F)c2ncnn21 ZINC000617427940 492168235 /nfs/dbraw/zinc/16/82/35/492168235.db2.gz NKNQBJXIVKVKRA-ZYHUDNBSSA-N -1 3 367.406 0.908 10 0 FCAEHM COC(=O)[C@@H](Cc1cccc(OC)c1)[N-]S(=O)(=O)c1ccn(C)n1 ZINC000599405226 492169119 /nfs/dbraw/zinc/16/91/19/492169119.db2.gz YWXVPPWYUNLVBH-CYBMUJFWSA-N -1 3 353.400 0.491 10 0 FCAEHM CCN(CC)CCS(=O)(=O)[N-][C@@H](C[C@H]1CCCOC1)C(=O)OC ZINC000599455662 492174989 /nfs/dbraw/zinc/17/49/89/492174989.db2.gz FCVWRHAQXZTPRY-KGLIPLIRSA-N -1 3 350.481 0.606 10 0 FCAEHM COCCCS(=O)(=O)[N-]CC(=O)Nc1cc2oc(=O)[nH]c2cc1F ZINC000617592808 492176672 /nfs/dbraw/zinc/17/66/72/492176672.db2.gz MSXCXHNPXRMLJZ-UHFFFAOYSA-N -1 3 361.351 0.567 10 0 FCAEHM COC(=O)CCNC(=O)CC[N-]S(=O)(=O)c1cc(F)ccc1OC ZINC000599476752 492178435 /nfs/dbraw/zinc/17/84/35/492178435.db2.gz JIIJWKKITFGKJE-UHFFFAOYSA-N -1 3 362.379 0.182 10 0 FCAEHM COC(=O)CCNC(=O)CC[N-]S(=O)(=O)c1ccc(OC)cc1F ZINC000599477223 492178564 /nfs/dbraw/zinc/17/85/64/492178564.db2.gz UYOGQPRSWSCWRG-UHFFFAOYSA-N -1 3 362.379 0.182 10 0 FCAEHM Cc1ccncc1CCNC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000617659738 492178860 /nfs/dbraw/zinc/17/88/60/492178860.db2.gz RSNHZGXUGFZDJF-UHFFFAOYSA-N -1 3 367.203 0.774 10 0 FCAEHM O=C(NC[C@]1(OCCO)CCOC1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000617707723 492181220 /nfs/dbraw/zinc/18/12/20/492181220.db2.gz QIHNGGKAMIEJTJ-QGZVFWFLSA-N -1 3 368.336 0.704 10 0 FCAEHM O=C(NC[C@@]1(OCCO)CCOC1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000617707722 492181246 /nfs/dbraw/zinc/18/12/46/492181246.db2.gz QIHNGGKAMIEJTJ-KRWDZBQOSA-N -1 3 368.336 0.704 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCN(C3CCC3)C2=O)c(C)o1 ZINC000599524619 492183517 /nfs/dbraw/zinc/18/35/17/492183517.db2.gz YKHQHKCROUYBQM-NSHDSACASA-N -1 3 356.400 0.806 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCN(C3CCC3)C2=O)oc1C ZINC000599524995 492183987 /nfs/dbraw/zinc/18/39/87/492183987.db2.gz GSNXFHJUXXGVNG-GFCCVEGCSA-N -1 3 356.400 0.806 10 0 FCAEHM CO[C@]1(CO)CCCN(C(=O)C[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000617792952 492191963 /nfs/dbraw/zinc/19/19/63/492191963.db2.gz JTUKSOIOPKWVRU-OAHLLOKOSA-N -1 3 360.407 0.104 10 0 FCAEHM CCOC(=O)c1ncc(NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)[n-]1 ZINC000617870417 492196256 /nfs/dbraw/zinc/19/62/56/492196256.db2.gz QADUIGJLWOHHLK-UHFFFAOYSA-N -1 3 357.326 0.641 10 0 FCAEHM CCOC(=O)c1nc(NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)c[n-]1 ZINC000617870417 492196257 /nfs/dbraw/zinc/19/62/57/492196257.db2.gz QADUIGJLWOHHLK-UHFFFAOYSA-N -1 3 357.326 0.641 10 0 FCAEHM CN(C)c1nc(C(=O)N2CCO[C@@H](C(=O)OC(C)(C)C)C2)cc(=O)[n-]1 ZINC000618001765 492208456 /nfs/dbraw/zinc/20/84/56/492208456.db2.gz BQIHBVHCKJPDTM-LLVKDONJSA-N -1 3 352.391 0.431 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2C[C@]3(C)COC[C@]3(C)C2)cn1C ZINC000618026211 492208804 /nfs/dbraw/zinc/20/88/04/492208804.db2.gz LERIURBHIRXWIQ-IYBDPMFKSA-N -1 3 370.475 0.282 10 0 FCAEHM C[C@@H]1CN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C[C@@H](C)C1O ZINC000618260371 492219518 /nfs/dbraw/zinc/21/95/18/492219518.db2.gz UHTHZTDYTFBQQV-HTQZYQBOSA-N -1 3 360.208 0.187 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]32)cn1C ZINC000618507479 492230263 /nfs/dbraw/zinc/23/02/63/492230263.db2.gz KJFYMKDTOMRQGH-RDBSUJKOSA-N -1 3 354.476 0.949 10 0 FCAEHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)c1 ZINC000618676829 492234632 /nfs/dbraw/zinc/23/46/32/492234632.db2.gz YSNAEJXVIOLJOD-SNVBAGLBSA-N -1 3 355.416 0.457 10 0 FCAEHM COC(=O)[C@@H]1CN(C(=O)C(=O)[N-]c2nccn2-c2ccccc2)C[C@@H](C)O1 ZINC000600040566 492235861 /nfs/dbraw/zinc/23/58/61/492235861.db2.gz GUJCEVPZUZQSDZ-OCCSQVGLSA-N -1 3 372.381 0.600 10 0 FCAEHM C[C@]12COC[C@@H]1CN(C(=O)CNC(=O)c1c[n-]c3ccccc3c1=O)C2 ZINC000618721716 492236601 /nfs/dbraw/zinc/23/66/01/492236601.db2.gz HBCVAVXKUYUYNN-BUXKBTBVSA-N -1 3 355.394 0.753 10 0 FCAEHM COCCCS(=O)(=O)[N-]CC(=O)Nc1cccc2c1CCN(C)C2=O ZINC000618897371 492242208 /nfs/dbraw/zinc/24/22/08/492242208.db2.gz CAOGOIKCBZKEQA-UHFFFAOYSA-N -1 3 369.443 0.209 10 0 FCAEHM COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)CC[C@@H]1NC(=O)[N-]C1=O ZINC000610397891 492244149 /nfs/dbraw/zinc/24/41/49/492244149.db2.gz CZTDZGUNMJJHBA-IHRRRGAJSA-N -1 3 365.430 0.945 10 0 FCAEHM Cc1cncc(CCNC(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)n1 ZINC000619209144 492253056 /nfs/dbraw/zinc/25/30/56/492253056.db2.gz QOGGAYYXONKHLY-LLVKDONJSA-N -1 3 354.457 0.872 10 0 FCAEHM Cc1cncc(CCNC(=O)CC[N-]S(=O)(=O)c2cccs2)n1 ZINC000619210898 492253383 /nfs/dbraw/zinc/25/33/83/492253383.db2.gz QTZKUNCRWQZXMZ-UHFFFAOYSA-N -1 3 354.457 0.874 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)c2ccc3c(n2)OCCO3)s1 ZINC000654436771 492303203 /nfs/dbraw/zinc/30/32/03/492303203.db2.gz FMAJIBMOYWXKGO-UHFFFAOYSA-N -1 3 369.424 0.752 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCc2nccnc2C1 ZINC000620421240 492308947 /nfs/dbraw/zinc/30/89/47/492308947.db2.gz HJIFUKGXFOUUDT-NSHDSACASA-N -1 3 364.402 0.867 10 0 FCAEHM CC1(C)OCC[C@H]1CNC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000620504707 492316433 /nfs/dbraw/zinc/31/64/33/492316433.db2.gz CGJRQYCINNELPK-QMMMGPOBSA-N -1 3 360.208 0.643 10 0 FCAEHM CN(C(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)[C@@H]1CCCCN(C)C1=O ZINC000634144145 492321875 /nfs/dbraw/zinc/32/18/75/492321875.db2.gz NFNIEDBWJHCSJP-AUUYWEPGSA-N -1 3 372.425 0.824 10 0 FCAEHM CN(C(=O)C[N-]S(=O)(=O)c1cccs1)[C@@H]1CCCCN(C)C1=O ZINC000634144162 492321968 /nfs/dbraw/zinc/32/19/68/492321968.db2.gz UIUDFVXTFYGJSJ-LLVKDONJSA-N -1 3 359.473 0.496 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCOc2cc(Br)ccc2C1 ZINC000620708996 492325166 /nfs/dbraw/zinc/32/51/66/492325166.db2.gz YTMKSLWQZPEUTR-JTQLQIEISA-N -1 3 368.187 0.768 10 0 FCAEHM Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000647606553 492334271 /nfs/dbraw/zinc/33/42/71/492334271.db2.gz BQHYENTYMQJQDV-LBPRGKRZSA-N -1 3 369.443 0.434 10 0 FCAEHM O=C(N[C@@H](Cc1ccccc1)c1ncco1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000654753068 492346579 /nfs/dbraw/zinc/34/65/79/492346579.db2.gz WYLGHPNCXOCSRQ-KBPBESRZSA-N -1 3 369.381 0.904 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@@H](c2ccccc2)[C@@H](C)O)cn1C ZINC000620986399 492349226 /nfs/dbraw/zinc/34/92/26/492349226.db2.gz DSCYFQCVTIQQPP-BDJLRTHQSA-N -1 3 366.443 0.245 10 0 FCAEHM NS(=O)(=O)c1cc(CNC(=O)c2cc(=O)[n-]c(C3CC3)n2)ccc1F ZINC000621008927 492352046 /nfs/dbraw/zinc/35/20/46/492352046.db2.gz KRIKFYQCJADVBW-UHFFFAOYSA-N -1 3 366.374 0.776 10 0 FCAEHM C[C@@H](CC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)NC(N)=O ZINC000654826005 492357000 /nfs/dbraw/zinc/35/70/00/492357000.db2.gz KWPXIEDIYQKFLY-QMMMGPOBSA-N -1 3 358.395 0.652 10 0 FCAEHM O=C(CC[C@@H]1NC(=O)[N-]C1=O)N[C@@H]1CCc2ccccc2-n2ccnc21 ZINC000621177839 492360079 /nfs/dbraw/zinc/36/00/79/492360079.db2.gz KJKICVOLROJCRY-OLZOCXBDSA-N -1 3 353.382 0.964 10 0 FCAEHM CC(=O)Nc1cccc2c1CCCN2Cc1cc(=O)n2nc(N)[n-]c2n1 ZINC000621263894 492365885 /nfs/dbraw/zinc/36/58/85/492365885.db2.gz JLIXDNNYLGQQGQ-UHFFFAOYSA-N -1 3 353.386 0.741 10 0 FCAEHM C[C@@H]1CN(Cc2cc(=O)n3nc(N)[n-]c3n2)c2ccccc2N(C)C1=O ZINC000621267205 492367378 /nfs/dbraw/zinc/36/73/78/492367378.db2.gz QKVKCDNURBXIGO-SNVBAGLBSA-N -1 3 353.386 0.449 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)NCC2(COC)CC2)ccc1F ZINC000654898470 492372339 /nfs/dbraw/zinc/37/23/39/492372339.db2.gz JYKBEFZAZADQMN-UHFFFAOYSA-N -1 3 373.406 0.215 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@H](C2CC2)[C@@H]2CCCCO2)cn1C ZINC000655226627 492416796 /nfs/dbraw/zinc/41/67/96/492416796.db2.gz UYOOPKQENKPXRN-XJKSGUPXSA-N -1 3 370.475 0.471 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)NC1CC(N2CCOCC2)C1 ZINC000627929007 492422537 /nfs/dbraw/zinc/42/25/37/492422537.db2.gz SWPMSDODHZXYLP-UHFFFAOYSA-N -1 3 371.434 0.083 10 0 FCAEHM Cn1nnc2c1CC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])C2 ZINC000655303516 492432235 /nfs/dbraw/zinc/43/22/35/492432235.db2.gz SFLOJLVEAVZSID-WBMJQRKESA-N -1 3 369.425 0.799 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N[C@H](c1ccccc1)[C@H](C)O ZINC000622185800 492465027 /nfs/dbraw/zinc/46/50/27/492465027.db2.gz QBNJEUNJRKIGBF-NHYWBVRUSA-N -1 3 367.427 0.808 10 0 FCAEHM CCn1c(=O)[n-]c(=O)c2c(C(=O)N3CN(C)C(=O)[C@H]3C)cc(C(C)C)nc21 ZINC000649161225 492506639 /nfs/dbraw/zinc/50/66/39/492506639.db2.gz ZWJNPHRPGOKOGY-SNVBAGLBSA-N -1 3 373.413 0.901 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)NC[C@H](O)[C@@H]1CCCO1 ZINC000628590076 492526993 /nfs/dbraw/zinc/52/69/93/492526993.db2.gz GYEVJQMIRHTMQO-STQMWFEESA-N -1 3 360.407 0.150 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000628735694 492541660 /nfs/dbraw/zinc/54/16/60/492541660.db2.gz ARGZSOGXJGRPPR-OLZOCXBDSA-N -1 3 366.805 0.260 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NC[C@@H]1CCc2cccnc21 ZINC000623309852 492542740 /nfs/dbraw/zinc/54/27/40/492542740.db2.gz GRXLHJFNZMKKKJ-ZDUSSCGKSA-N -1 3 364.427 0.811 10 0 FCAEHM C[C@@H]1[C@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CCS1(=O)=O ZINC000628938950 492567510 /nfs/dbraw/zinc/56/75/10/492567510.db2.gz MDZMWBBUAURNBM-BNOWGMLFSA-N -1 3 366.439 0.689 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)cn1C ZINC000628949361 492570731 /nfs/dbraw/zinc/57/07/31/492570731.db2.gz MVNIIJYMKGRBIC-LMCGPQHNSA-N -1 3 358.464 0.325 10 0 FCAEHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccnc(N2CCOCC2)n1 ZINC000623608386 492573071 /nfs/dbraw/zinc/57/30/71/492573071.db2.gz JJHOAYUDWGKDPF-UHFFFAOYSA-N -1 3 352.358 0.746 10 0 FCAEHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccnc(N2CCOCC2)n1 ZINC000623608386 492573073 /nfs/dbraw/zinc/57/30/73/492573073.db2.gz JJHOAYUDWGKDPF-UHFFFAOYSA-N -1 3 352.358 0.746 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)N[C@H]1CO[C@H](C2CC2)C1 ZINC000629137386 492579691 /nfs/dbraw/zinc/57/96/91/492579691.db2.gz VHUVLHJHFUBUOM-WBMJQRKESA-N -1 3 355.394 0.942 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)c2cn3c(n2)COCC3)s1 ZINC000623702993 492583452 /nfs/dbraw/zinc/58/34/52/492583452.db2.gz VRPVXRJPNJEUBH-UHFFFAOYSA-N -1 3 356.429 0.313 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N(C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629209589 492591544 /nfs/dbraw/zinc/59/15/44/492591544.db2.gz FJHMRYOMZOZMBQ-GARJFASQSA-N -1 3 357.407 0.215 10 0 FCAEHM CCn1nc(C)cc1NC(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000629250792 492597951 /nfs/dbraw/zinc/59/79/51/492597951.db2.gz SKSBIIHQQLUZPV-UHFFFAOYSA-N -1 3 354.436 0.560 10 0 FCAEHM COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)[N-]c1cnoc1 ZINC000623941825 492607557 /nfs/dbraw/zinc/60/75/57/492607557.db2.gz IIWWPZDVMKRLNP-UHFFFAOYSA-N -1 3 367.383 0.956 10 0 FCAEHM COC1CN(S(=O)(=O)c2cccc(S(=O)(=O)[N-]CC(F)F)c2)C1 ZINC000656372133 492615020 /nfs/dbraw/zinc/61/50/20/492615020.db2.gz WCNFVJXLNWLKJJ-UHFFFAOYSA-N -1 3 370.399 0.249 10 0 FCAEHM Cc1n[nH]c(C)c1[N-]S(=O)(=O)CCCS(=O)(=O)N1CC=CCC1 ZINC000656380090 492618043 /nfs/dbraw/zinc/61/80/43/492618043.db2.gz MLLAPSMDQIDUFI-UHFFFAOYSA-N -1 3 362.477 0.750 10 0 FCAEHM COC1(CS(=O)(=O)[N-]c2cccc(O[C@H]3CC(=O)N3)c2)CCOCC1 ZINC000650206093 492622508 /nfs/dbraw/zinc/62/25/08/492622508.db2.gz JSGKYXPIHZNKQN-HNNXBMFYSA-N -1 3 370.427 0.849 10 0 FCAEHM CC(C)CN1CCO[C@H](CNC(=O)CN2CCCC[C@H]2CC(=O)[O-])C1 ZINC000650506452 492646796 /nfs/dbraw/zinc/64/67/96/492646796.db2.gz MMAKKKZOVOYSNE-JKSUJKDBSA-N -1 3 355.479 0.789 10 0 FCAEHM CS(=O)(=O)NC[C@@H]1COCCN1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000629571736 492649588 /nfs/dbraw/zinc/64/95/88/492649588.db2.gz IEXRLOATAOGMQY-CYBMUJFWSA-N -1 3 368.455 0.661 10 0 FCAEHM C[C@@H]1C[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1ncccc1F ZINC000629629252 492660751 /nfs/dbraw/zinc/66/07/51/492660751.db2.gz NNCSUGFONBMBTO-MWLCHTKSSA-N -1 3 351.425 0.680 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@@H]1CCN(c2ccccc2)C1=O)[C@@H]1CCOC1 ZINC000656896909 492662635 /nfs/dbraw/zinc/66/26/35/492662635.db2.gz FNCCZECSDBPGPP-FVQBIDKESA-N -1 3 368.455 0.763 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]CC1(O)Cc2ccccc2C1)[C@H]1CCOC1 ZINC000656913731 492667379 /nfs/dbraw/zinc/66/73/79/492667379.db2.gz HNZDZGVDWIJCLK-HOTGVXAUSA-N -1 3 355.456 0.487 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@H]1CCN(C2CCCCC2)C1=O)[C@H]1CCOC1 ZINC000656937046 492673431 /nfs/dbraw/zinc/67/34/31/492673431.db2.gz DXNRDSJVDJSBKD-CWRNSKLLSA-N -1 3 374.503 0.891 10 0 FCAEHM CC(=O)Nc1ccc(S(=O)(=O)[N-][C@H](CO)c2ccnn2C)c(F)c1 ZINC000657011552 492693765 /nfs/dbraw/zinc/69/37/65/492693765.db2.gz RJBSBKGBOWSVBU-GFCCVEGCSA-N -1 3 356.379 0.530 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]Cc1nccc(C(F)(F)F)n1)[C@@H]1CCOC1 ZINC000657013474 492694076 /nfs/dbraw/zinc/69/40/76/492694076.db2.gz UNXXRKJFMOIENT-NXEZZACHSA-N -1 3 369.365 0.966 10 0 FCAEHM O=C1NCC[C@@H]1[N-]S(=O)(=O)Cc1cc(F)ccc1Br ZINC000657031672 492700267 /nfs/dbraw/zinc/70/02/67/492700267.db2.gz KBPIDBFFNXQHTN-JTQLQIEISA-N -1 3 351.197 0.896 10 0 FCAEHM COC[C@]1(C)CN(C(=O)C[N-]S(=O)(=O)c2ccccc2F)CCO1 ZINC000629909166 492700515 /nfs/dbraw/zinc/70/05/15/492700515.db2.gz HKSXJKHYNYYPBG-HNNXBMFYSA-N -1 3 360.407 0.368 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]CC(C)(C)NS(C)(=O)=O)c(F)c1F ZINC000624962275 492703321 /nfs/dbraw/zinc/70/33/21/492703321.db2.gz LXECLAMSFHEJNT-UHFFFAOYSA-N -1 3 356.416 0.879 10 0 FCAEHM COC[C@H](CC[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)OC ZINC000657054565 492704849 /nfs/dbraw/zinc/70/48/49/492704849.db2.gz YCIWESUIWSTSRK-JTQLQIEISA-N -1 3 369.436 0.559 10 0 FCAEHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)c2ncnn21 ZINC000657065004 492707211 /nfs/dbraw/zinc/70/72/11/492707211.db2.gz XDXDPOYXEZFABU-BXKDBHETSA-N -1 3 356.429 0.666 10 0 FCAEHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)c2ncnn21 ZINC000657065264 492707366 /nfs/dbraw/zinc/70/73/66/492707366.db2.gz CBVWQZORJUQKFD-CABZTGNLSA-N -1 3 368.440 0.592 10 0 FCAEHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)c2ncnn21 ZINC000657065265 492707581 /nfs/dbraw/zinc/70/75/81/492707581.db2.gz CBVWQZORJUQKFD-JOYOIKCWSA-N -1 3 368.440 0.592 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@H]2C[C@H](C)n3ncnc32)coc1C(=O)N(C)C ZINC000657067260 492708076 /nfs/dbraw/zinc/70/80/76/492708076.db2.gz RTXGVPIZLRIFLB-WPRPVWTQSA-N -1 3 353.404 0.866 10 0 FCAEHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)c2ncnn21 ZINC000657069417 492709143 /nfs/dbraw/zinc/70/91/43/492709143.db2.gz VRIOSQJKGPWWTK-VHSXEESVSA-N -1 3 356.429 0.666 10 0 FCAEHM NC(=O)c1coc(C[N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)n1 ZINC000657070710 492709174 /nfs/dbraw/zinc/70/91/74/492709174.db2.gz VBASXTHKPGZTPE-UHFFFAOYSA-N -1 3 353.356 0.413 10 0 FCAEHM CN1c2ccccc2C[C@H]([N-]S(=O)(=O)CCCN2CCOCC2)C1=O ZINC000657070425 492709412 /nfs/dbraw/zinc/70/94/12/492709412.db2.gz GEXUMIFXTVJATI-HNNXBMFYSA-N -1 3 367.471 0.216 10 0 FCAEHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)c2ncnn21 ZINC000657069486 492709554 /nfs/dbraw/zinc/70/95/54/492709554.db2.gz WNMSPKCVLQUIFH-WPRPVWTQSA-N -1 3 357.417 0.061 10 0 FCAEHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@]1(OCCO)CCOC1 ZINC000657086413 492712830 /nfs/dbraw/zinc/71/28/30/492712830.db2.gz LXFQRGIWJPXSFN-AWEZNQCLSA-N -1 3 365.835 0.795 10 0 FCAEHM O=S(=O)([N-]C[C@]1(OCCO)CCOC1)c1cccc(Cl)c1F ZINC000657086299 492713209 /nfs/dbraw/zinc/71/32/09/492713209.db2.gz KOIUMWJXDBPXIL-CYBMUJFWSA-N -1 3 353.799 0.925 10 0 FCAEHM O=S(=O)([N-]C[C@@]1(OCCO)CCOC1)c1cc(F)c(F)c(F)c1 ZINC000657087629 492713830 /nfs/dbraw/zinc/71/38/30/492713830.db2.gz WIRBQGHQWXAYAI-ZDUSSCGKSA-N -1 3 355.334 0.550 10 0 FCAEHM O=S(=O)(Cc1cccc2cccnc21)[N-]C[C@@]1(OCCO)CCOC1 ZINC000657087554 492713993 /nfs/dbraw/zinc/71/39/93/492713993.db2.gz VGVRWWPCBMYDQV-KRWDZBQOSA-N -1 3 366.439 0.822 10 0 FCAEHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-]CCOCC(N)=O ZINC000625063524 492718454 /nfs/dbraw/zinc/71/84/54/492718454.db2.gz PYBLJICSUNDJNV-UHFFFAOYSA-N -1 3 372.321 0.374 10 0 FCAEHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)C1 ZINC000657105923 492723236 /nfs/dbraw/zinc/72/32/36/492723236.db2.gz FKFNDHUBNQMOGR-HAQNSBGRSA-N -1 3 362.473 0.783 10 0 FCAEHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@]2(O)C[C@H]2C1 ZINC000657165238 492734830 /nfs/dbraw/zinc/73/48/30/492734830.db2.gz NXXILHYYMVOKDU-SMDDNHRTSA-N -1 3 360.457 0.130 10 0 FCAEHM CCNC(=O)[C@@H]([N-]S(=O)(=O)CC1(OCC)CCOCC1)C(C)C ZINC000625231160 492742294 /nfs/dbraw/zinc/74/22/94/492742294.db2.gz INTVEWYUVBJLMT-ZDUSSCGKSA-N -1 3 350.481 0.652 10 0 FCAEHM COCCN1CCC[C@@H]1CNC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000625268290 492748494 /nfs/dbraw/zinc/74/84/94/492748494.db2.gz MIPWEYYOCXSONP-CYBMUJFWSA-N -1 3 356.448 0.294 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]C[C@]2(OCCO)CCOC2)c(F)c1F ZINC000625276737 492749291 /nfs/dbraw/zinc/74/92/91/492749291.db2.gz DBBIWOOVIJNUHY-CQSZACIVSA-N -1 3 351.371 0.720 10 0 FCAEHM CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-][C@@H]1C(=O)NCC1(C)C ZINC000625286242 492751407 /nfs/dbraw/zinc/75/14/07/492751407.db2.gz STCPHNUYNLPJIX-UONOGXRCSA-N -1 3 358.435 0.827 10 0 FCAEHM COCCn1cc(S(=O)(=O)[N-]Cc2c(C(F)(F)F)cnn2C)cn1 ZINC000625342091 492760080 /nfs/dbraw/zinc/76/00/80/492760080.db2.gz XIVXMRMJZLUANV-UHFFFAOYSA-N -1 3 367.353 0.760 10 0 FCAEHM Cc1cc(CS(=O)(=O)[N-]C[C@]2(CO)COCC3(CCC3)N2C)on1 ZINC000625376639 492767861 /nfs/dbraw/zinc/76/78/61/492767861.db2.gz KUECJQCTXNPYSR-HNNXBMFYSA-N -1 3 359.448 0.018 10 0 FCAEHM COC1(CS(=O)(=O)[N-]C[C@H]2COc3ccccc3O2)CCOCC1 ZINC000651499867 492768824 /nfs/dbraw/zinc/76/88/24/492768824.db2.gz MEZROFVNJFTOOZ-ZDUSSCGKSA-N -1 3 357.428 0.941 10 0 FCAEHM Cn1ccc(S(=O)(=O)[N-]CC2(OCCO)CCC(F)(F)CC2)n1 ZINC000625406066 492775316 /nfs/dbraw/zinc/77/53/16/492775316.db2.gz ZCKIVEDDXFLNDI-UHFFFAOYSA-N -1 3 353.391 0.655 10 0 FCAEHM COC1(CS(=O)(=O)[N-]C[C@H](O)COc2cccc(C)c2)CCOCC1 ZINC000651569852 492783989 /nfs/dbraw/zinc/78/39/89/492783989.db2.gz OWRVDHOSJHBSAZ-HNNXBMFYSA-N -1 3 373.471 0.850 10 0 FCAEHM O=C1[C@@H](N=c2cc(-c3ccccc3)n3[n-]cnc3n2)CCCN1CCO ZINC000631209991 492804484 /nfs/dbraw/zinc/80/44/84/492804484.db2.gz CYAXNMUQJJVJNH-AWEZNQCLSA-N -1 3 352.398 0.608 10 0 FCAEHM COC1(CS(=O)(=O)[N-][C@H](C2CC2)[C@]2(CO)CCCO2)CCOCC1 ZINC000651720669 492812505 /nfs/dbraw/zinc/81/25/05/492812505.db2.gz HKHSZNRZVQIZJG-GDBMZVCRSA-N -1 3 363.476 0.422 10 0 FCAEHM CSc1cc(NC(=O)C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)ccc1C ZINC000651730166 492814564 /nfs/dbraw/zinc/81/45/64/492814564.db2.gz BMBUDDVSPYWZLS-LLVKDONJSA-N -1 3 362.411 0.418 10 0 FCAEHM CC1(C)Oc2ccsc2[C@@H]([N-]S(=O)(=O)N2CCCOCC2)[C@@H]1O ZINC000651737381 492815185 /nfs/dbraw/zinc/81/51/85/492815185.db2.gz CJSLZWLFQJYCLS-YPMHNXCESA-N -1 3 362.473 0.878 10 0 FCAEHM O=C(c1c(F)cncc1Br)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000631623175 492826428 /nfs/dbraw/zinc/82/64/28/492826428.db2.gz ZGEYUBNZSHVNPZ-QMMMGPOBSA-N -1 3 357.139 0.359 10 0 FCAEHM CCNC(=O)[C@@H](C)[N-]S(=O)(=O)Cc1ncsc1Br ZINC000631674119 492833539 /nfs/dbraw/zinc/83/35/39/492833539.db2.gz KGRYAWVTWJOOPM-ZCFIWIBFSA-N -1 3 356.267 0.850 10 0 FCAEHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)C2(N3CCOCC3)CC2)CC1 ZINC000631796722 492854331 /nfs/dbraw/zinc/85/43/31/492854331.db2.gz YSLQHAYICZJSCK-UHFFFAOYSA-N -1 3 359.426 0.541 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)[C@@H]2CN(C)C(=O)c3ccccc32)nc1=N ZINC000651976964 492857146 /nfs/dbraw/zinc/85/71/46/492857146.db2.gz MRYMAVGYDKZCFF-KGLIPLIRSA-N -1 3 354.414 0.761 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)Cn2nc(-c3ccccc3)oc2=O)nc1=N ZINC000651979755 492857337 /nfs/dbraw/zinc/85/73/37/492857337.db2.gz HTYWYKBFCVIOBU-LBPRGKRZSA-N -1 3 369.385 0.408 10 0 FCAEHM O=C1[C@@H]([N-]S(=O)(=O)C[C@H]2CNCCO2)CCCN1c1ccccc1 ZINC000631920305 492884948 /nfs/dbraw/zinc/88/49/48/492884948.db2.gz XCGULNINOQUYJG-CABCVRRESA-N -1 3 353.444 0.090 10 0 FCAEHM O=C1[C@H]([N-]S(=O)(=O)C[C@@H]2CNCCO2)CCN1c1cccc(Cl)c1 ZINC000631925608 492888069 /nfs/dbraw/zinc/88/80/69/492888069.db2.gz CEKTUIHBBBTXGC-UONOGXRCSA-N -1 3 373.862 0.353 10 0 FCAEHM CCN1C[C@@H](S(=O)(=O)[N-][C@H]2CCCN(c3ccccc3)C2=O)CC1=O ZINC000631969583 492900610 /nfs/dbraw/zinc/90/06/10/492900610.db2.gz GDKMYLGGZQPJJV-GJZGRUSLSA-N -1 3 365.455 0.722 10 0 FCAEHM COC1(CS(=O)(=O)[N-][C@@H]2CCCN(c3ccn(C)n3)C2=O)CCC1 ZINC000632038008 492916041 /nfs/dbraw/zinc/91/60/41/492916041.db2.gz LYHRFUGRVMXYNY-GFCCVEGCSA-N -1 3 356.448 0.404 10 0 FCAEHM C[C@@H]1C[C@@H]1N1C[C@H]([N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)CC1=O ZINC000632047305 492918918 /nfs/dbraw/zinc/91/89/18/492918918.db2.gz HRCWVSURADHLSO-MRTMQBJTSA-N -1 3 366.365 0.727 10 0 FCAEHM Cc1noc(CCC[N-]S(=O)(=O)c2coc(C(=O)N(C)C)c2C)n1 ZINC000645516756 492919357 /nfs/dbraw/zinc/91/93/57/492919357.db2.gz YAJDGMHPSFIPLP-UHFFFAOYSA-N -1 3 356.404 0.892 10 0 FCAEHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CNc3ccccc3C2)cn1 ZINC000652380707 492920597 /nfs/dbraw/zinc/92/05/97/492920597.db2.gz HAWHLEVDGSYORA-LBPRGKRZSA-N -1 3 367.452 0.800 10 0 FCAEHM O=C1C[C@@H](S(=O)(=O)[N-][C@H]2CCN(C3CCCCC3)C2=O)CN1C1CC1 ZINC000632112426 492932640 /nfs/dbraw/zinc/93/26/40/492932640.db2.gz BUMRANCKAPSZHU-CABCVRRESA-N -1 3 369.487 0.603 10 0 FCAEHM O=C(C[N-]S(=O)(=O)Cc1ncsc1Br)NCC1CC1 ZINC000632187622 492947033 /nfs/dbraw/zinc/94/70/33/492947033.db2.gz DKMZBSBDDGRJNG-UHFFFAOYSA-N -1 3 368.278 0.851 10 0 FCAEHM C[C@]1(C[N-]S(=O)(=O)Cc2ncsc2Br)CCC(=O)N1 ZINC000632432503 492996368 /nfs/dbraw/zinc/99/63/68/492996368.db2.gz RJDMVIDBSLYXPB-SNVBAGLBSA-N -1 3 368.278 0.994 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@H]1CCCN(Cc2nccn2C)C1=O)C(C)C ZINC000645647444 492953402 /nfs/dbraw/zinc/95/34/02/492953402.db2.gz MCWXGIJRPPNFJV-UONOGXRCSA-N -1 3 372.491 0.502 10 0 FCAEHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)C[C@H](OC)C2CCOCC2)[C@@H]1OC ZINC000645651537 492954986 /nfs/dbraw/zinc/95/49/86/492954986.db2.gz OPDGVPVZOIUJIK-XGUBFFRZSA-N -1 3 351.465 0.540 10 0 FCAEHM CCN1CCN(CC[N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)CC1 ZINC000632254802 492958790 /nfs/dbraw/zinc/95/87/90/492958790.db2.gz YUOZJWVWRZJRMR-UHFFFAOYSA-N -1 3 369.413 0.355 10 0 FCAEHM COC[C@H]([N-]S(=O)(=O)C[C@@H](OC)C1CCOCC1)[C@H]1CCCO1 ZINC000645687830 492960159 /nfs/dbraw/zinc/96/01/59/492960159.db2.gz XMZVWLJJEGYZGZ-RRFJBIMHSA-N -1 3 351.465 0.541 10 0 FCAEHM COC[C@@H]([N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C)[C@H]1CCCO1 ZINC000645686769 492960209 /nfs/dbraw/zinc/96/02/09/492960209.db2.gz DUTFBDJAUFPNFK-VXGBXAGGSA-N -1 3 360.432 0.762 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]CC1(S(C)(=O)=O)CC1 ZINC000632294071 492967269 /nfs/dbraw/zinc/96/72/69/492967269.db2.gz TTXRENGQGXURHU-UHFFFAOYSA-N -1 3 361.367 0.294 10 0 FCAEHM CN1CCO[C@H](CS(=O)(=O)[N-]Cc2noc(-c3cccc(F)c3)n2)C1 ZINC000632296633 492968035 /nfs/dbraw/zinc/96/80/35/492968035.db2.gz MTZQHYBCYBMGST-ZDUSSCGKSA-N -1 3 370.406 0.626 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@H](CO)[C@@H]2CCCOC2)coc1C(=O)N(C)C ZINC000645761122 492970808 /nfs/dbraw/zinc/97/08/08/492970808.db2.gz VAACVZWRWQDHGI-VXGBXAGGSA-N -1 3 360.432 0.356 10 0 FCAEHM CCN1CC[C@H]([N-]S(=O)(=O)Cc2ncsc2Br)C1=O ZINC000632314640 492971178 /nfs/dbraw/zinc/97/11/78/492971178.db2.gz DICYNFZITAANHA-ZETCQYMHSA-N -1 3 368.278 0.946 10 0 FCAEHM CN1CCO[C@@H](CS(=O)(=O)[N-]C2(c3noc(C(F)F)n3)CCC2)C1 ZINC000632359325 492982657 /nfs/dbraw/zinc/98/26/57/492982657.db2.gz AVGRNGYIQOLRDW-SECBINFHSA-N -1 3 366.390 0.636 10 0 FCAEHM C[C@H]1C(=O)N(C)CN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000645865031 492984414 /nfs/dbraw/zinc/98/44/14/492984414.db2.gz LNBAMGRJXOIQPE-QMMMGPOBSA-N -1 3 365.408 0.006 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-][C@@H](CO)[C@@H]1CCCOC1 ZINC000632458166 493002232 /nfs/dbraw/zinc/00/22/32/493002232.db2.gz YCRFZBLBJLYYKE-SCZZXKLOSA-N -1 3 357.354 0.505 10 0 FCAEHM COc1cc(C(=O)N2CCN(CCN(C)C)C(=O)C2)cc(Cl)c1[O-] ZINC000652736987 493013715 /nfs/dbraw/zinc/01/37/15/493013715.db2.gz VXWBCTNJNDJHQO-UHFFFAOYSA-N -1 3 355.822 0.900 10 0 FCAEHM CN1CCC[C@@H]1CNC(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC000626769089 493016598 /nfs/dbraw/zinc/01/65/98/493016598.db2.gz XFWVWBOXVGZOBY-BZUAXINKSA-N -1 3 374.441 0.807 10 0 FCAEHM CCN1C[C@@H](S(=O)(=O)[N-][C@H]2CCc3ccccc3NC2=O)CC1=O ZINC000632535899 493023565 /nfs/dbraw/zinc/02/35/65/493023565.db2.gz GZTFJLZIOYVZRQ-JSGCOSHPSA-N -1 3 351.428 0.480 10 0 FCAEHM CCN1C[C@@H](S(=O)(=O)[N-][C@@H]2CCc3ccccc3NC2=O)CC1=O ZINC000632535898 493023989 /nfs/dbraw/zinc/02/39/89/493023989.db2.gz GZTFJLZIOYVZRQ-GXTWGEPZSA-N -1 3 351.428 0.480 10 0 FCAEHM C[C@@H]1CO[C@@H](C)CN1CC[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000632550427 493027402 /nfs/dbraw/zinc/02/74/02/493027402.db2.gz YBBBJMAIXGGBJD-ZJUUUORDSA-N -1 3 370.397 0.826 10 0 FCAEHM CSc1cccnc1NC(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000652876156 493031381 /nfs/dbraw/zinc/03/13/81/493031381.db2.gz KXUKDOKBJVKQJW-UHFFFAOYSA-N -1 3 355.445 0.762 10 0 FCAEHM C[C@H]1CN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C2(CCC2)CO1 ZINC000652880040 493031557 /nfs/dbraw/zinc/03/15/57/493031557.db2.gz VEBDDTMJQCVZDY-VIFPVBQESA-N -1 3 372.219 0.881 10 0 FCAEHM C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000646260035 493034279 /nfs/dbraw/zinc/03/42/79/493034279.db2.gz UDRBUUCGRDRMPY-JTQLQIEISA-N -1 3 354.480 0.841 10 0 FCAEHM CN1C2(CCC2)COC[C@@]1(CO)C[N-]S(=O)(=O)C[C@H]1CCC1(F)F ZINC000632592110 493039560 /nfs/dbraw/zinc/03/95/60/493039560.db2.gz PISBZOQKZSNEOO-OCCSQVGLSA-N -1 3 368.446 0.567 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCOC[C@H]2c2ccnn2C)c(C)o1 ZINC000652984232 493052384 /nfs/dbraw/zinc/05/23/84/493052384.db2.gz NXBCABSUXQVYNZ-ZDUSSCGKSA-N -1 3 368.415 0.443 10 0 FCAEHM CO[C@H](C)CS(=O)(=O)[N-]CC(=O)c1cncc(Br)c1 ZINC000632638063 493055004 /nfs/dbraw/zinc/05/50/04/493055004.db2.gz XMEYORFXKNTTLN-MRVPVSSYSA-N -1 3 351.222 0.981 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N[C@H](C1CC1)C1CCOCC1 ZINC000653038363 493063125 /nfs/dbraw/zinc/06/31/25/493063125.db2.gz FXTIZDOSLXLYIM-OAHLLOKOSA-N -1 3 371.459 0.891 10 0 FCAEHM Cn1ccnc1COCC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000646667821 493082200 /nfs/dbraw/zinc/08/22/00/493082200.db2.gz OJGAFMZCYIVZMO-UHFFFAOYSA-N -1 3 358.398 0.627 10 0 FCAEHM O=C(Cc1ccc(-n2ccnc2)cc1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000632796973 493090753 /nfs/dbraw/zinc/09/07/53/493090753.db2.gz KMPQQCYEWKFXTD-SFHVURJKSA-N -1 3 353.382 0.615 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000627262328 493122881 /nfs/dbraw/zinc/12/28/81/493122881.db2.gz LXAGWFMLVGSDHT-INMHGKMJSA-N -1 3 373.453 0.664 10 0 FCAEHM CN1CCc2c(NC(=O)NCc3nc(CN)cc(=O)[n-]3)cccc2C1=O ZINC000659047271 493128370 /nfs/dbraw/zinc/12/83/70/493128370.db2.gz XDCCZRRRQLATHI-UHFFFAOYSA-N -1 3 356.386 0.591 10 0 FCAEHM O=C(CCc1nnn[n-]1)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000633571160 493166958 /nfs/dbraw/zinc/16/69/58/493166958.db2.gz QSIXVODRMMCLKE-HOTGVXAUSA-N -1 3 356.430 0.634 10 0 FCAEHM O=C(CCc1nn[n-]n1)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000633571160 493166961 /nfs/dbraw/zinc/16/69/61/493166961.db2.gz QSIXVODRMMCLKE-HOTGVXAUSA-N -1 3 356.430 0.634 10 0 FCAEHM C[C@]1(c2ccc(NC(=O)c3cnc4n3CCOC4)cc2)NC(=O)[N-]C1=O ZINC000666445621 493184919 /nfs/dbraw/zinc/18/49/19/493184919.db2.gz GAWAHLMMXNNKJC-QGZVFWFLSA-N -1 3 355.354 0.720 10 0 FCAEHM COc1ccccc1N1CC[C@@H](NC(=O)NCc2nc(CN)cc(=O)[n-]2)C1 ZINC000659465703 493186916 /nfs/dbraw/zinc/18/69/16/493186916.db2.gz CKANFKNVMPVQFE-GFCCVEGCSA-N -1 3 372.429 0.728 10 0 FCAEHM CC(=O)Nc1ccc(S(=O)(=O)[N-]Cc2cc(C(N)=O)co2)c(F)c1 ZINC000681691056 493206457 /nfs/dbraw/zinc/20/64/57/493206457.db2.gz UJDBTBLQLSOXIW-UHFFFAOYSA-N -1 3 355.347 0.955 10 0 FCAEHM Cn1cc(C[C@@H]2CCC[C@@H]2NC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)cn1 ZINC000666708682 493219131 /nfs/dbraw/zinc/21/91/31/493219131.db2.gz GTXWXXOROFENNF-IHRRRGAJSA-N -1 3 360.418 0.077 10 0 FCAEHM C[C@@H]1C[C@@]2(CCO1)CN(C(=O)NCc1nc(CN)cc(=O)[n-]1)C[C@H](C)O2 ZINC000659630509 493223785 /nfs/dbraw/zinc/22/37/85/493223785.db2.gz PQDLNYBESVUEGS-PEBVRCNWSA-N -1 3 365.434 0.509 10 0 FCAEHM CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659647943 493229530 /nfs/dbraw/zinc/22/95/30/493229530.db2.gz AUOSGEPCSHMCTC-OAHLLOKOSA-N -1 3 361.442 0.647 10 0 FCAEHM O=C([O-])C1(CNC(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2)CCC1 ZINC000659663664 493238604 /nfs/dbraw/zinc/23/86/04/493238604.db2.gz IEFDLJNVXJRYOD-CYBMUJFWSA-N -1 3 351.447 0.881 10 0 FCAEHM CC(=O)N1CC[C@H](C[N-]S(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)C1 ZINC000641597619 493260694 /nfs/dbraw/zinc/26/06/94/493260694.db2.gz NTTNIQLHDZYLDL-LLVKDONJSA-N -1 3 371.850 0.838 10 0 FCAEHM NCc1cc(=O)[n-]c(CNC(=O)C(=O)N(Cc2ccco2)C2CCCC2)n1 ZINC000659747308 493283718 /nfs/dbraw/zinc/28/37/18/493283718.db2.gz ARLFMMIQLCZENI-UHFFFAOYSA-N -1 3 373.413 0.822 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1C[C@@H](O)CC(F)(F)C1 ZINC000682590134 493310127 /nfs/dbraw/zinc/31/01/27/493310127.db2.gz TWCYJHUNFCRKHV-BDAKNGLRSA-N -1 3 354.400 0.643 10 0 FCAEHM CC(C)O[C@]1(CS(=O)(=O)[N-][C@@H](CO)C[C@@H](O)C(C)(C)C)CCOC1 ZINC000659960475 493307888 /nfs/dbraw/zinc/30/78/88/493307888.db2.gz OQJMIIIPGKQVCF-IIAWOOMASA-N -1 3 367.508 0.648 10 0 FCAEHM CC(C)O[C@]1(CS(=O)(=O)[N-][C@@H](C)C2(S(C)(=O)=O)CC2)CCOC1 ZINC000659966035 493309258 /nfs/dbraw/zinc/30/92/58/493309258.db2.gz FOYSNEUCQWGPHR-QWHCGFSZSA-N -1 3 369.505 0.456 10 0 FCAEHM CN(C)c1cccc(S(=O)(=O)N2CCC3(CC2)NC(=O)[N-]C3=O)c1 ZINC000682613071 493313916 /nfs/dbraw/zinc/31/39/16/493313916.db2.gz FMUPMEJEBGEVMZ-UHFFFAOYSA-N -1 3 352.416 0.115 10 0 FCAEHM COc1cc(C[N-]S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)on1 ZINC000660011130 493314622 /nfs/dbraw/zinc/31/46/22/493314622.db2.gz SVOYQHKDHWMDCP-UHFFFAOYSA-N -1 3 354.388 0.726 10 0 FCAEHM O=S(=O)([N-]C1CC1)c1ccccc1S(=O)(=O)N1CCC2(COC2)C1 ZINC000660068151 493321518 /nfs/dbraw/zinc/32/15/18/493321518.db2.gz XWTKGLYEQHMCKI-UHFFFAOYSA-N -1 3 372.468 0.538 10 0 FCAEHM O=C(CCn1cc(Br)cn1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000684077061 493391845 /nfs/dbraw/zinc/39/18/45/493391845.db2.gz DSYXILLUQLNCSY-ZDUSSCGKSA-N -1 3 370.207 0.236 10 0 FCAEHM O=C(CCn1cc(Br)cn1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000684077059 493392230 /nfs/dbraw/zinc/39/22/30/493392230.db2.gz DSYXILLUQLNCSY-CYBMUJFWSA-N -1 3 370.207 0.236 10 0 FCAEHM Cc1cc(C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)ccc1N1CCNC1=O ZINC000684079815 493392574 /nfs/dbraw/zinc/39/25/74/493392574.db2.gz OSSVHONNPRXBRJ-SFHVURJKSA-N -1 3 371.397 0.339 10 0 FCAEHM O=C([N-]c1nncn1Cc1ccccc1)C1(n2cnnn2)CCOCC1 ZINC000668883754 493429066 /nfs/dbraw/zinc/42/90/66/493429066.db2.gz XWHKNWHKBDFUGD-UHFFFAOYSA-N -1 3 354.374 0.457 10 0 FCAEHM C[C@H](NC(=O)NCC[N-]S(=O)(=O)c1cccs1)c1nccn1C ZINC000662098418 493488029 /nfs/dbraw/zinc/48/80/29/493488029.db2.gz GUCCMLXBPPTCEM-JTQLQIEISA-N -1 3 357.461 0.820 10 0 FCAEHM Cn1cc(C[N-]S(=O)(=O)c2cc(Br)cc(C(N)=O)c2)nn1 ZINC000669632747 493516324 /nfs/dbraw/zinc/51/63/24/493516324.db2.gz BFWNNZDKEQVPBT-UHFFFAOYSA-N -1 3 374.220 0.155 10 0 FCAEHM CC(C)(C(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1)n1cc(N)cn1 ZINC000662562385 493526272 /nfs/dbraw/zinc/52/62/72/493526272.db2.gz YLIKRBJIBBYKSV-UHFFFAOYSA-N -1 3 357.414 0.891 10 0 FCAEHM COc1ccc([C@H](CC(=O)N(CCN(C)C)CC(=O)[O-])NC(C)=O)cc1 ZINC000676207278 493530316 /nfs/dbraw/zinc/53/03/16/493530316.db2.gz XKRNXOFLQALFDI-INIZCTEOSA-N -1 3 365.430 0.737 10 0 FCAEHM CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)NCc1nc(CN)cc(=O)[n-]1 ZINC000662751335 493538107 /nfs/dbraw/zinc/53/81/07/493538107.db2.gz AFPJAVLASORYCM-MWLCHTKSSA-N -1 3 353.448 0.205 10 0 FCAEHM CCN1CC[C@@H](NC(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)C1=O ZINC000670044598 493542755 /nfs/dbraw/zinc/54/27/55/493542755.db2.gz QMTJDBHBRNVDIG-OAHLLOKOSA-N -1 3 360.414 0.480 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCc2sc(Br)cc2C1 ZINC000676434417 493551824 /nfs/dbraw/zinc/55/18/24/493551824.db2.gz DLXFJMPKWGIWRV-UHFFFAOYSA-N -1 3 358.217 0.947 10 0 FCAEHM Cc1nn2cc(S(=O)(=O)[N-][C@H](C)Cn3cncn3)cnc2c1Cl ZINC000676322232 493545201 /nfs/dbraw/zinc/54/52/01/493545201.db2.gz WSTYUGYWBVXONK-MRVPVSSYSA-N -1 3 355.811 0.650 10 0 FCAEHM CS(=O)(=O)[N-]c1cc(C(=O)NC[C@H]2CN3CCN2CCC3)ccc1F ZINC000670407262 493561513 /nfs/dbraw/zinc/56/15/13/493561513.db2.gz NOWYTDJSUZPZDQ-ZDUSSCGKSA-N -1 3 370.450 0.317 10 0 FCAEHM CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CC1=O ZINC000663154647 493575837 /nfs/dbraw/zinc/57/58/37/493575837.db2.gz KWDXCWCETJSVOD-ARFHVFGLSA-N -1 3 365.474 0.936 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CC[C@]3(C2)CCCOC3)cn1C ZINC000671287693 493652957 /nfs/dbraw/zinc/65/29/57/493652957.db2.gz RKNVRIBLMLTSTC-HNNXBMFYSA-N -1 3 356.448 0.036 10 0 FCAEHM Cc1cccc(S(=O)(=O)[N-]CCCN2CCCS2(=O)=O)c1F ZINC000679756987 493694492 /nfs/dbraw/zinc/69/44/92/493694492.db2.gz VSBVWDWPLMOPCX-UHFFFAOYSA-N -1 3 350.437 0.838 10 0 FCAEHM O=S(=O)([N-][C@@H]1COc2cc(F)cc(F)c21)C1CCS(=O)(=O)CC1 ZINC000680106701 493707284 /nfs/dbraw/zinc/70/72/84/493707284.db2.gz JIOVKHGJRMFFAD-LLVKDONJSA-N -1 3 367.395 0.895 10 0 FCAEHM C[C@@H](Cn1ncc2ccccc21)C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000671837606 493708250 /nfs/dbraw/zinc/70/82/50/493708250.db2.gz YCMUVUYKMTXOPO-SGTLLEGYSA-N -1 3 355.398 0.873 10 0 FCAEHM O=C([O-])[C@H](CNC(=O)NCC(=O)NCCN1CCCCCC1)C1CCC1 ZINC000665319526 493709170 /nfs/dbraw/zinc/70/91/70/493709170.db2.gz UUTGDCCQOMLXHG-OAHLLOKOSA-N -1 3 368.478 0.779 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)N[C@@H]1CCNC(=O)CC1 ZINC000665658281 493729784 /nfs/dbraw/zinc/72/97/84/493729784.db2.gz NBMLHAVCTZQDEA-NSHDSACASA-N -1 3 356.382 0.043 10 0 FCAEHM COc1cc(N2CCN(Cc3nc4c(cnn4C)c(=O)[n-]3)CC2)ncn1 ZINC000680864212 493732744 /nfs/dbraw/zinc/73/27/44/493732744.db2.gz CFOOCQSCGFLJJM-UHFFFAOYSA-N -1 3 356.390 0.190 10 0 FCAEHM O=C([C@H]1[C@@H]2COC[C@@H]21)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000665781739 493737431 /nfs/dbraw/zinc/73/74/31/493737431.db2.gz DYNZLQGNUQSRPK-IMRBUKKESA-N -1 3 356.469 0.910 10 0 FCAEHM O=C(NCCc1ccnc2ccccc12)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000666023782 493749177 /nfs/dbraw/zinc/74/91/77/493749177.db2.gz OJQAUKIRJIKPQZ-OAHLLOKOSA-N -1 3 353.382 0.723 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCOc3ccccc32)cn1C ZINC000116684156 534515603 /nfs/dbraw/zinc/51/56/03/534515603.db2.gz LQLRHCYMLQYGBW-UHFFFAOYSA-N -1 3 350.400 0.432 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)NCC[C@H](O)C(F)(F)F ZINC000410057077 534583720 /nfs/dbraw/zinc/58/37/20/534583720.db2.gz XHCPGZOXIXYMSM-LBPRGKRZSA-N -1 3 371.315 0.687 10 0 FCAEHM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCN(CCO)[C@H](C)C1 ZINC000187301191 534645178 /nfs/dbraw/zinc/64/51/78/534645178.db2.gz HSOBOUULSBIONP-GFCCVEGCSA-N -1 3 361.446 0.509 10 0 FCAEHM CCc1ccc(OCC(=O)N2CCO[C@H](CN(C)CC(=O)[O-])C2)cc1 ZINC000275844833 524001649 /nfs/dbraw/zinc/00/16/49/524001649.db2.gz XXYGPFPWVSXZBP-MRXNPFEDSA-N -1 3 350.415 0.872 10 0 FCAEHM CC(C)n1cnc(S(=O)(=O)[N-][C@H]2CCC[C@H]2CNS(C)(=O)=O)c1 ZINC000409786863 528616324 /nfs/dbraw/zinc/61/63/24/528616324.db2.gz BRJNOPDICHKLMV-RYUDHWBXSA-N -1 3 364.493 0.460 10 0 FCAEHM CCCc1nc(=NC(=O)C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)s[n-]1 ZINC000411521018 528684213 /nfs/dbraw/zinc/68/42/13/528684213.db2.gz SFFMLTPERPCIQV-RYUDHWBXSA-N -1 3 351.476 0.936 10 0 FCAEHM CN(C)C[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000436761670 535959424 /nfs/dbraw/zinc/95/94/24/535959424.db2.gz MYKXFGSTKQZQRF-GFCCVEGCSA-N -1 3 355.460 0.809 10 0 FCAEHM COC(=O)[C@@H](CC(C)(C)C)NC(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000592834967 546669008 /nfs/dbraw/zinc/66/90/08/546669008.db2.gz OCVPHRZGKWJMEV-LLVKDONJSA-N -1 3 374.463 0.101 10 0 FCAEHM COC(=O)[C@@H](CCF)[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000593632359 546724479 /nfs/dbraw/zinc/72/44/79/546724479.db2.gz UXVYVSSHHSVXEN-SECBINFHSA-N -1 3 353.393 0.270 10 0 FCAEHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@@H](CCF)C(=O)OC ZINC000593634547 546725187 /nfs/dbraw/zinc/72/51/87/546725187.db2.gz WHTPBFFKSKPXPC-QMMMGPOBSA-N -1 3 351.352 0.808 10 0 FCAEHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](CO)c2ccnn2C)c(F)c1 ZINC000593608488 546725965 /nfs/dbraw/zinc/72/59/65/546725965.db2.gz UGHHUOMEPZUKOO-GFCCVEGCSA-N -1 3 371.390 0.748 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]CC[C@]1(O)CCCOC1 ZINC000593661184 546731023 /nfs/dbraw/zinc/73/10/23/546731023.db2.gz NDTDLVFZUAASTA-OAHLLOKOSA-N -1 3 361.416 0.893 10 0 FCAEHM COC(=O)c1coc(C[N-]S(=O)(=O)c2ccc3c(c2)N(C)CC3)n1 ZINC000593646404 546735702 /nfs/dbraw/zinc/73/57/02/546735702.db2.gz WKRYMDUBZZRDTL-UHFFFAOYSA-N -1 3 351.384 0.932 10 0 FCAEHM COC(=O)[C@H](CCF)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000593798314 546751382 /nfs/dbraw/zinc/75/13/82/546751382.db2.gz BDGKVJCWTDOTQV-BDAKNGLRSA-N -1 3 352.409 0.432 10 0 FCAEHM COC(=O)[C@@H](CCF)NC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000593802180 546752372 /nfs/dbraw/zinc/75/23/72/546752372.db2.gz RWTMDTLHKQEJAH-BZNIZROVSA-N -1 3 351.334 0.372 10 0 FCAEHM COC(=O)[C@@H](CCF)NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000593804856 546752593 /nfs/dbraw/zinc/75/25/93/546752593.db2.gz PWDYLRRRWUCXML-SSDOTTSWSA-N -1 3 372.827 0.697 10 0 FCAEHM COC(=O)c1ccc(C[N-]S(=O)(=O)CC2(OC)CCOCC2)nc1 ZINC000594471178 546791293 /nfs/dbraw/zinc/79/12/93/546791293.db2.gz LNKAVUAOXKYEBC-UHFFFAOYSA-N -1 3 358.416 0.483 10 0 FCAEHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@](C)(CO)OC ZINC000594484345 546797469 /nfs/dbraw/zinc/79/74/69/546797469.db2.gz IRQLQJHJRADRRC-ZDUSSCGKSA-N -1 3 351.808 0.802 10 0 FCAEHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@@H](OC)[C@H]2CCOC2)c1 ZINC000594798716 546826077 /nfs/dbraw/zinc/82/60/77/546826077.db2.gz ADHKHOBRPGDOEK-IINYFYTJSA-N -1 3 361.391 0.942 10 0 FCAEHM COC(=O)c1ccc(CS(=O)(=O)[N-]C[C@]2(OCCO)CCOC2)cc1 ZINC000594816110 546830903 /nfs/dbraw/zinc/83/09/03/546830903.db2.gz FAIMSZNNUBRPAS-MRXNPFEDSA-N -1 3 373.427 0.061 10 0 FCAEHM COC(=O)[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000594819212 546832377 /nfs/dbraw/zinc/83/23/77/546832377.db2.gz VHBVLAUGQFIGME-IINYFYTJSA-N -1 3 372.374 0.319 10 0 FCAEHM COC(=O)[C@H](O)C(C)(C)[N-]S(=O)(=O)C[C@H](OC)C1CCCCC1 ZINC000594778811 546833288 /nfs/dbraw/zinc/83/32/88/546833288.db2.gz ITXIHHFNKWMHBJ-STQMWFEESA-N -1 3 351.465 0.814 10 0 FCAEHM COCc1nc(C[N-]S(=O)(=O)c2c(C)csc2C(=O)OC)n[nH]1 ZINC000594826768 546838255 /nfs/dbraw/zinc/83/82/55/546838255.db2.gz DCLCZVRBRAEQSA-UHFFFAOYSA-N -1 3 360.417 0.586 10 0 FCAEHM O=C(c1ccccc1)N1CC(S(=O)(=O)[N-]Cc2noc(C3CC3)n2)C1 ZINC000541861907 547027935 /nfs/dbraw/zinc/02/79/35/547027935.db2.gz IIMALHNGXDXVJD-UHFFFAOYSA-N -1 3 362.411 0.891 10 0 FCAEHM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-]CC[C@H]2CCOC2)c1 ZINC000542250146 547029010 /nfs/dbraw/zinc/02/90/10/547029010.db2.gz SCYQYJZPXSZEFJ-NSHDSACASA-N -1 3 371.411 0.965 10 0 FCAEHM COC(=O)c1cc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)ccc1Br ZINC000548052719 547058789 /nfs/dbraw/zinc/05/87/89/547058789.db2.gz JDNXEPWBCNGJFO-VIFPVBQESA-N -1 3 370.159 0.772 10 0 FCAEHM CC(C)(C)OC(=O)Cn1cnc([N-]C(=O)c2ccc(C(N)=O)s2)n1 ZINC000592657190 547359282 /nfs/dbraw/zinc/35/92/82/547359282.db2.gz CQPMEBRZFQMPNO-UHFFFAOYSA-N -1 3 351.388 1.033 10 0 FCAEHM COC(=O)CCc1nnc([N-]C(=O)c2ccc3c(n2)OCCO3)s1 ZINC000593979271 547364363 /nfs/dbraw/zinc/36/43/63/547364363.db2.gz AKUKMFDDXVHEMV-UHFFFAOYSA-N -1 3 350.356 1.062 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCCn1ccnn1 ZINC000182728243 547405594 /nfs/dbraw/zinc/40/55/94/547405594.db2.gz YZNYNBXBSFVGGR-NSHDSACASA-N -1 3 355.395 0.291 10 0 FCAEHM C[C@@H](CO[C@@H]1CCOC1)[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000866942495 665223210 /nfs/dbraw/zinc/22/32/10/665223210.db2.gz UNHPQGXMETVMEN-DTWKUNHWSA-N -1 3 368.253 0.655 10 0 FCAEHM COCCN(CCOC)C1CN(C(=O)c2ccc3n[n-]c(=S)n3c2)C1 ZINC000898251523 665808716 /nfs/dbraw/zinc/80/87/16/665808716.db2.gz YQJFIYMKXWMNMW-UHFFFAOYSA-N -1 3 365.459 0.437 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)[C@H]1CSCN1C(=O)c1ccccc1 ZINC000898729081 665905043 /nfs/dbraw/zinc/90/50/43/665905043.db2.gz CIYJAJCQQRSLOV-UONOGXRCSA-N -1 3 360.439 0.830 10 0 FCAEHM Cc1noc(CCNC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)n1 ZINC000119555545 663469750 /nfs/dbraw/zinc/46/97/50/663469750.db2.gz UUCHJUKSCCMLBN-UHFFFAOYSA-N -1 3 368.390 0.930 10 0 FCAEHM COC(=O)c1ccoc1S(=O)(=O)[N-]C[C@H](C)CN1CCN(C)CC1 ZINC000866873063 663472985 /nfs/dbraw/zinc/47/29/85/663472985.db2.gz LKAPHIZKLDPSQA-LBPRGKRZSA-N -1 3 359.448 0.228 10 0 FCAEHM CCOC(=O)[C@H]1CCCN(CC(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)C1 ZINC000911850103 666378614 /nfs/dbraw/zinc/37/86/14/666378614.db2.gz ZJCWMKQCDIKCFY-STQMWFEESA-N -1 3 350.419 0.706 10 0 FCAEHM CS(=O)(=O)CCCS(=O)(=O)[N-][C@@H]1c2ccccc2OC[C@H]1F ZINC000921319001 666432336 /nfs/dbraw/zinc/43/23/36/666432336.db2.gz HIQBZWLXYJMVTP-DGCLKSJQSA-N -1 3 351.421 0.812 10 0 FCAEHM CN1CCOC[C@@]1(CO)C[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000921339501 666436786 /nfs/dbraw/zinc/43/67/86/666436786.db2.gz GDANSJNSEWKNPK-ZDUSSCGKSA-N -1 3 352.815 0.451 10 0 FCAEHM CN(CCO)CCN(C)C(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC000912603847 666460669 /nfs/dbraw/zinc/46/06/69/666460669.db2.gz OQJPALYMZDTIDH-UHFFFAOYSA-N -1 3 354.357 0.852 10 0 FCAEHM CN=[S@@](C)(=O)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000912789314 666477335 /nfs/dbraw/zinc/47/73/35/666477335.db2.gz GHQNHEBLXPYUQX-RZFZLAGVSA-N -1 3 353.444 0.841 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N1CC[C@H](N2CCC2)C1 ZINC000912925655 666486794 /nfs/dbraw/zinc/48/67/94/666486794.db2.gz OTJWLFZFHQIOOP-NSHDSACASA-N -1 3 359.398 0.550 10 0 FCAEHM CN(C)CCN1C[C@H](C(=O)Nc2nccc(Br)c2[O-])CC1=O ZINC000913026452 666491192 /nfs/dbraw/zinc/49/11/92/666491192.db2.gz QPWGZFMLLOGTKB-SECBINFHSA-N -1 3 371.235 0.898 10 0 FCAEHM O=C(NC[C@@H]1COCCO1)N[N-]C(=O)c1ccccc1Br ZINC000057083051 666554071 /nfs/dbraw/zinc/55/40/71/666554071.db2.gz QHYWOJXDPYGWLL-SECBINFHSA-N -1 3 358.192 0.809 10 0 FCAEHM O=C(NCCCn1ccnn1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000182982246 666593633 /nfs/dbraw/zinc/59/36/33/666593633.db2.gz KHXKCEWIAQYIQF-UHFFFAOYSA-N -1 3 367.406 0.678 10 0 FCAEHM O=C(NC12CCN(CC1)C2)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000913629944 666638099 /nfs/dbraw/zinc/63/80/99/666638099.db2.gz TTWSCEQKJBEROC-UHFFFAOYSA-N -1 3 371.409 0.984 10 0 FCAEHM COC(=O)[C@@]1([N-]S(=O)(=O)c2cc(F)c(OC)cc2F)CCOC1 ZINC000914239546 666730227 /nfs/dbraw/zinc/73/02/27/666730227.db2.gz HMGJLDBEXWGZBY-CYBMUJFWSA-N -1 3 351.327 0.584 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]Cc1nnnn1-c1ccccc1 ZINC000730573971 666771192 /nfs/dbraw/zinc/77/11/92/666771192.db2.gz HJCCPOQFIDQPMR-UHFFFAOYSA-N -1 3 367.822 0.836 10 0 FCAEHM CN1C(=S)N=NC1CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000731228216 666811393 /nfs/dbraw/zinc/81/13/93/666811393.db2.gz NGWDXRGBNLCROX-LLVKDONJSA-N -1 3 361.427 0.730 10 0 FCAEHM O=S(=O)(CC1(F)CC1)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000915225120 666827663 /nfs/dbraw/zinc/82/76/63/666827663.db2.gz FHDLAQWFXYIBII-UHFFFAOYSA-N -1 3 372.390 0.665 10 0 FCAEHM CCS(=O)(=O)NCCOC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000731710863 666835515 /nfs/dbraw/zinc/83/55/15/666835515.db2.gz XXSGVXJIXPMYDY-ZDUSSCGKSA-N -1 3 370.427 0.479 10 0 FCAEHM COc1ncc(S(=O)(=O)[N-]CC(=O)N(C)OCC(F)(F)F)s1 ZINC000917880776 667089363 /nfs/dbraw/zinc/08/93/63/667089363.db2.gz CISAOEXGYUOXND-UHFFFAOYSA-N -1 3 363.339 0.382 10 0 FCAEHM C[C@H](CC[N-]S(=O)(=O)c1cnn(C)c1Br)[S@@](C)=O ZINC000866973343 667099592 /nfs/dbraw/zinc/09/95/92/667099592.db2.gz CTGLQYXSNMPGLS-IWEMQMMOSA-N -1 3 358.283 0.618 10 0 FCAEHM C[C@@H](CC[N-]S(=O)(=O)c1cnn(C)c1Br)[S@](C)=O ZINC000866973344 667099496 /nfs/dbraw/zinc/09/94/96/667099496.db2.gz CTGLQYXSNMPGLS-SKLCBMLGSA-N -1 3 358.283 0.618 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-]Cc2cnoc2)c1I ZINC000918607491 667127808 /nfs/dbraw/zinc/12/78/08/667127808.db2.gz SXANLLXXGATGNA-UHFFFAOYSA-N -1 3 368.156 0.491 10 0 FCAEHM O=S(=O)([N-][C@H](CO)CN1CCOCC1)c1cccnc1C(F)(F)F ZINC000918982800 667146373 /nfs/dbraw/zinc/14/63/73/667146373.db2.gz YCYMIVKDKYLGET-JTQLQIEISA-N -1 3 369.365 0.072 10 0 FCAEHM C[C@H](CC[N-]S(=O)(=O)c1cn(C)nc1Br)[S@@](C)=O ZINC000866974607 667155940 /nfs/dbraw/zinc/15/59/40/667155940.db2.gz RPNIKKHLRWZKJH-IWEMQMMOSA-N -1 3 358.283 0.618 10 0 FCAEHM O=C(c1cc([O-])cc(Br)c1)N1CCC(=O)NCC12COC2 ZINC000921804802 667487271 /nfs/dbraw/zinc/48/72/71/667487271.db2.gz AHAMGZXHMMFRED-UHFFFAOYSA-N -1 3 355.188 0.886 10 0 FCAEHM CNC(=O)c1cc(S(=O)(=O)[N-][C@@H]([C@H]2CCOC2)C(F)(F)F)cn1C ZINC000921863578 667523796 /nfs/dbraw/zinc/52/37/96/667523796.db2.gz XLEKQYYJWWWUGI-KWQFWETISA-N -1 3 369.365 0.630 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-]Cc2nc3c(s2)COCC3)CCC1 ZINC000921916781 667541698 /nfs/dbraw/zinc/54/16/98/667541698.db2.gz HCZWVEMSODQTTC-UHFFFAOYSA-N -1 3 360.457 0.979 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](O)C[C@H](O)C2)ccc1F ZINC000755435193 667632941 /nfs/dbraw/zinc/63/29/41/667632941.db2.gz HQXIEDFNYNVELW-TXEJJXNPSA-N -1 3 360.407 0.080 10 0 FCAEHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](O)C[C@H](O)C2)ccc1F ZINC000755444257 667633280 /nfs/dbraw/zinc/63/32/80/667633280.db2.gz SNNAQRIYJSTVIN-TXEJJXNPSA-N -1 3 374.434 0.470 10 0 FCAEHM C[C@H](CC(=O)N[C@@H](C)[C@H](C)CO)[N-]S(=O)(=O)c1cccnc1Cl ZINC000757088818 667697212 /nfs/dbraw/zinc/69/72/12/667697212.db2.gz HHRPDBSUAURTCE-MXWKQRLJSA-N -1 3 363.867 0.925 10 0 FCAEHM COC(=O)[C@H](CF)[N-]S(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl ZINC000805136850 667720055 /nfs/dbraw/zinc/72/00/55/667720055.db2.gz ASOKAUAPPNXCOZ-JTQLQIEISA-N -1 3 366.798 0.831 10 0 FCAEHM C[C@@H](CC(=O)NCC1(C)COC1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000760592365 667855166 /nfs/dbraw/zinc/85/51/66/667855166.db2.gz GNFRQBPZVGNRDD-JTQLQIEISA-N -1 3 361.851 0.945 10 0 FCAEHM Cn1cnc(CCC[N-]S(=O)(=O)c2cn(C)nc2Br)n1 ZINC000867447499 667883544 /nfs/dbraw/zinc/88/35/44/667883544.db2.gz UWKGYMFFPQZPIV-UHFFFAOYSA-N -1 3 363.241 0.222 10 0 FCAEHM NC(=O)N[C@H]1CCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C1 ZINC000762752185 667929490 /nfs/dbraw/zinc/92/94/90/667929490.db2.gz RIPZXDPNZMOTCY-NSHDSACASA-N -1 3 370.406 0.149 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cn(C)nc1Br)[C@H]1CN(C)CCO1 ZINC000866986927 667932485 /nfs/dbraw/zinc/93/24/85/667932485.db2.gz AZRJTXSAGOUVDZ-RKDXNWHRSA-N -1 3 367.269 0.180 10 0 FCAEHM Cc1cc(CS(=O)(=O)[N-]N2C(=O)N[C@@](C)(c3ccccc3)C2=O)no1 ZINC000767533596 668055116 /nfs/dbraw/zinc/05/51/16/668055116.db2.gz ZYWHOEVLLMQELC-HNNXBMFYSA-N -1 3 364.383 0.785 10 0 FCAEHM O=C(NCCCN1CCCS1(=O)=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000776128765 668246795 /nfs/dbraw/zinc/24/67/95/668246795.db2.gz OKAGZUCJLXVNPJ-UHFFFAOYSA-N -1 3 370.357 0.048 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC(n3ccnn3)C2)ccc1F ZINC000779553162 668427819 /nfs/dbraw/zinc/42/78/19/668427819.db2.gz VERVTCJXCZATMN-UHFFFAOYSA-N -1 3 367.406 0.801 10 0 FCAEHM C[C@H]1CCN(CC(=O)N2CCN(C)CC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805788690 668734984 /nfs/dbraw/zinc/73/49/84/668734984.db2.gz MKSJHCPGBZOZSH-OBJOEFQTSA-N -1 3 364.412 0.538 10 0 FCAEHM O=C(OC[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000788913569 668843896 /nfs/dbraw/zinc/84/38/96/668843896.db2.gz JNKGZUXCPNNEKJ-OCCSQVGLSA-N -1 3 367.423 0.975 10 0 FCAEHM CS(=O)(=O)CCN1CCC(NC(=O)NCc2ncccc2[O-])CC1 ZINC000792082582 668899717 /nfs/dbraw/zinc/89/97/17/668899717.db2.gz UBBZXWCQADHLML-UHFFFAOYSA-N -1 3 356.448 0.095 10 0 FCAEHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCN(CC)C2=O)c1 ZINC000795980042 669074610 /nfs/dbraw/zinc/07/46/10/669074610.db2.gz WFAIQOAGQYVSPJ-GFCCVEGCSA-N -1 3 358.391 0.902 10 0 FCAEHM CNC(=O)[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867034021 669165196 /nfs/dbraw/zinc/16/51/96/669165196.db2.gz PLAGMQQXMMTEOQ-YUMQZZPRSA-N -1 3 365.253 0.376 10 0 FCAEHM COC[C@H]([N-]S(=O)(=O)Cc1cc(C)ccc1Br)C(N)=O ZINC000867023771 669270426 /nfs/dbraw/zinc/27/04/26/669270426.db2.gz YKINUNOKAUWICY-NSHDSACASA-N -1 3 365.249 0.677 10 0 FCAEHM CN(C)c1nccc(C[N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)n1 ZINC000867060039 669682577 /nfs/dbraw/zinc/68/25/77/669682577.db2.gz LPSZKRLQVGXYAA-UHFFFAOYSA-N -1 3 364.353 0.773 10 0 FCAEHM CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000812276245 669794408 /nfs/dbraw/zinc/79/44/08/669794408.db2.gz ZAYCGMYIPKGFAC-MNOVXSKESA-N -1 3 367.393 0.825 10 0 FCAEHM CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000812276248 669794449 /nfs/dbraw/zinc/79/44/49/669794449.db2.gz ZAYCGMYIPKGFAC-WDEREUQCSA-N -1 3 367.393 0.825 10 0 FCAEHM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC[C@@H]1CN2CCN1CCC2 ZINC000816530415 669963116 /nfs/dbraw/zinc/96/31/16/669963116.db2.gz HJUDUXSUWMVZBS-NEPJUHHUSA-N -1 3 350.385 0.196 10 0 FCAEHM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC[C@H]1CN2CCN1CCC2 ZINC000816530416 669963233 /nfs/dbraw/zinc/96/32/33/669963233.db2.gz HJUDUXSUWMVZBS-RYUDHWBXSA-N -1 3 350.385 0.196 10 0 FCAEHM CCn1ncc(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)n1 ZINC000816570457 669964031 /nfs/dbraw/zinc/96/40/31/669964031.db2.gz UYYMMFFASYULSS-UHFFFAOYSA-N -1 3 359.358 0.285 10 0 FCAEHM C[C@@H]1CCCN1CC[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867149195 670018246 /nfs/dbraw/zinc/01/82/46/670018246.db2.gz UKIKZTMKJHQJJQ-SECBINFHSA-N -1 3 351.270 0.945 10 0 FCAEHM C[C@@H](CC(=O)N1CC(C)(CO)C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000836872423 670066039 /nfs/dbraw/zinc/06/60/39/670066039.db2.gz BOOLXEYXPGGAEA-JTQLQIEISA-N -1 3 361.851 0.633 10 0 FCAEHM COC[C@H]([N-]S(=O)(=O)C1CN(C(=O)OC(C)(C)C)C1)[C@@H]1CCCO1 ZINC000867206255 670073897 /nfs/dbraw/zinc/07/38/97/670073897.db2.gz JJDAEIZYQPMBTA-STQMWFEESA-N -1 3 364.464 0.719 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]C[C@H](CO)[C@H]2CCOC2)c(Br)n1 ZINC000867220995 670087735 /nfs/dbraw/zinc/08/77/35/670087735.db2.gz VEHMJENOEWMWAF-DTWKUNHWSA-N -1 3 368.253 0.106 10 0 FCAEHM COCC[C@H](COC)[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867281892 670621546 /nfs/dbraw/zinc/62/15/46/670621546.db2.gz KKRQKBNYSTUDRC-MRVPVSSYSA-N -1 3 356.242 0.512 10 0 FCAEHM C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)CSc1n[n-]c(=S)s1 ZINC000844034087 670884901 /nfs/dbraw/zinc/88/49/01/670884901.db2.gz JKQBIUWCRQGKQC-MRVPVSSYSA-N -1 3 361.518 0.497 10 0 FCAEHM CO[C@@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867346285 670895300 /nfs/dbraw/zinc/89/53/00/670895300.db2.gz XLNVFVZEBXIVSY-DTWKUNHWSA-N -1 3 368.253 0.512 10 0 FCAEHM C[C@@H](CC(=O)N1CN(C)C(=O)[C@H]1C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000844103582 670896063 /nfs/dbraw/zinc/89/60/63/670896063.db2.gz QIGNQRFTLGZSEF-VHSXEESVSA-N -1 3 374.850 0.439 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CC[C@@]2(O)CCCOC2)c(Br)n1 ZINC000867466010 670933215 /nfs/dbraw/zinc/93/32/15/670933215.db2.gz JNJBDTYBEJOQBM-NSHDSACASA-N -1 3 368.253 0.393 10 0 FCAEHM O=C(NN1CC(=O)[N-]C1=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000845219978 670980668 /nfs/dbraw/zinc/98/06/68/670980668.db2.gz QTJWUOZGBMYJNA-QMMMGPOBSA-N -1 3 354.160 0.898 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]CC(C)(C)[C@H]2COCC23OCCO3)nn1 ZINC000867386773 671026556 /nfs/dbraw/zinc/02/65/56/671026556.db2.gz WXMZCWGUGPXFQC-GFCCVEGCSA-N -1 3 357.432 0.479 10 0 FCAEHM O=C(NCC[C@@]1(O)CCOC1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000846453576 671113175 /nfs/dbraw/zinc/11/31/75/671113175.db2.gz UTRCZXJIZVPTNG-MRXNPFEDSA-N -1 3 372.418 0.538 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]C[C@@H]2CCN(C)C(=O)C2)c(Br)n1 ZINC000867427945 671122549 /nfs/dbraw/zinc/12/25/49/671122549.db2.gz AMWPBYCFEYOXOW-MRVPVSSYSA-N -1 3 365.253 0.329 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])N1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000846562585 671127400 /nfs/dbraw/zinc/12/74/00/671127400.db2.gz VGXYAAOIPYCGIZ-VAXYEAPXSA-N -1 3 363.370 0.219 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c([O-])cc1=O)N1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000846562585 671127402 /nfs/dbraw/zinc/12/74/02/671127402.db2.gz VGXYAAOIPYCGIZ-VAXYEAPXSA-N -1 3 363.370 0.219 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CCN1C[C@@H](C)OC[C@H]1C ZINC000849429692 671342554 /nfs/dbraw/zinc/34/25/54/671342554.db2.gz UMDWXBCFQAEICC-NXEZZACHSA-N -1 3 350.872 0.769 10 0 FCAEHM COc1ccc(CC(=O)[N-]OC[C@H]2CCN(S(C)(=O)=O)C2)cc1OC ZINC000853669298 671553627 /nfs/dbraw/zinc/55/36/27/671553627.db2.gz MAWRLIRETRIWTE-ZDUSSCGKSA-N -1 3 372.443 0.576 10 0 FCAEHM CCS(=O)(=O)C1(CNC(=O)NCc2nc(C(F)(F)F)n[n-]2)CC1 ZINC000854005364 671563703 /nfs/dbraw/zinc/56/37/03/671563703.db2.gz VQCISFQAOQBVJH-UHFFFAOYSA-N -1 3 355.342 0.590 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2C[C@@H](C)n3ncnc32)ccc1F ZINC000855328142 671636755 /nfs/dbraw/zinc/63/67/55/671636755.db2.gz PPQCAJWTWJDCEI-KCJUWKMLSA-N -1 3 353.379 0.761 10 0 FCAEHM O=C(c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)N1CC[C@@]2(O)C[C@H]2C1 ZINC000855840818 671665832 /nfs/dbraw/zinc/66/58/32/671665832.db2.gz YBCUYEVLJIMOSC-MEDUHNTESA-N -1 3 354.403 0.863 10 0 FCAEHM COC(=O)C1CC2(C1)CN(CC(=O)N1CCC(C)CC1)C[C@H]2C(=O)[O-] ZINC000903410718 675929038 /nfs/dbraw/zinc/92/90/38/675929038.db2.gz FHCWHQQMBHCPKM-FVRSWCFKSA-N -1 3 352.431 0.831 10 0 FCAEHM CCON(CC)C(=O)C[N-]S(=O)(=O)CC1(C(=O)OC)CCCC1 ZINC000859272257 671806464 /nfs/dbraw/zinc/80/64/64/671806464.db2.gz PILWMPOBZUTXBK-UHFFFAOYSA-N -1 3 350.437 0.439 10 0 FCAEHM CCON(CC)C(=O)C[N-]S(=O)(=O)C[C@H](OC)C1CCOCC1 ZINC000859272470 671806863 /nfs/dbraw/zinc/80/68/63/671806863.db2.gz RQAPBXUZCXVNMP-ZDUSSCGKSA-N -1 3 352.453 0.147 10 0 FCAEHM CCON(CC)C(=O)C[N-]S(=O)(=O)c1ccc(C(=O)OC)s1 ZINC000859273624 671807185 /nfs/dbraw/zinc/80/71/85/671807185.db2.gz CDVAEDDFXMGRBE-UHFFFAOYSA-N -1 3 350.418 0.613 10 0 FCAEHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]C[C@H](O)[C@H]1CCCO1 ZINC000859284412 671809195 /nfs/dbraw/zinc/80/91/95/671809195.db2.gz NMUPDGGIUZIAAD-DTWKUNHWSA-N -1 3 364.807 0.340 10 0 FCAEHM CCOC(=O)C1=CC[C@H]([N-]S(=O)(=O)c2csnc2C(=O)OC)C1 ZINC000859317310 671813789 /nfs/dbraw/zinc/81/37/89/671813789.db2.gz MNCHFIJMRZMJIM-VIFPVBQESA-N -1 3 360.413 0.860 10 0 FCAEHM COC(=O)[C@@]1(OC)CCN(CC(=O)[N-]C(=O)c2ccc(OC)cc2)C1 ZINC000859557469 671836967 /nfs/dbraw/zinc/83/69/67/671836967.db2.gz CDGITGUQRDRTBY-QGZVFWFLSA-N -1 3 350.371 0.216 10 0 FCAEHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1ccnc(N2CCOCC2)n1 ZINC000860955639 671927700 /nfs/dbraw/zinc/92/77/00/671927700.db2.gz QOMRCRQXTRZEKE-UHFFFAOYSA-N -1 3 357.296 0.380 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NCC(=O)N2CCCO2)ccc1F ZINC000862083523 672025338 /nfs/dbraw/zinc/02/53/38/672025338.db2.gz QDAFHUKWTIYYTQ-UHFFFAOYSA-N -1 3 373.406 0.406 10 0 FCAEHM CCn1ncc(CNC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)n1 ZINC000862384001 672047101 /nfs/dbraw/zinc/04/71/01/672047101.db2.gz JIVAXPCUQMCHSG-UHFFFAOYSA-N -1 3 367.406 0.808 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](O)[C@@H]2CCCO2)ccc1F ZINC000862652338 672062660 /nfs/dbraw/zinc/06/26/60/672062660.db2.gz XKGJBCFYAIWLJH-KGLIPLIRSA-N -1 3 374.434 0.782 10 0 FCAEHM COC(=O)C1=CC[C@H](NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC000862672509 672064768 /nfs/dbraw/zinc/06/47/68/672064768.db2.gz FDIYXDFGKRNPSW-QMMMGPOBSA-N -1 3 372.175 0.089 10 0 FCAEHM CCOC(=O)C1=CC[C@H](NC(=O)c2cc(S(=O)(=O)[N-]C)oc2C)C1 ZINC000862875617 672084685 /nfs/dbraw/zinc/08/46/85/672084685.db2.gz DFJQWGRKQKQLGT-NSHDSACASA-N -1 3 356.400 0.878 10 0 FCAEHM CS(=O)(=O)NC[C@H]1COCCN1C(=O)c1cc2sccc2c([O-])c1 ZINC000863550970 672136307 /nfs/dbraw/zinc/13/63/07/672136307.db2.gz GGIQJXSRESGDHF-NSHDSACASA-N -1 3 370.452 0.997 10 0 FCAEHM CS(=O)(=O)NC[C@@H]1COCCN1C(=O)c1cc2sccc2c([O-])c1 ZINC000863550969 672136364 /nfs/dbraw/zinc/13/63/64/672136364.db2.gz GGIQJXSRESGDHF-LLVKDONJSA-N -1 3 370.452 0.997 10 0 FCAEHM CCN1CCC[C@H]1C[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000866393899 672270693 /nfs/dbraw/zinc/27/06/93/672270693.db2.gz NKZCMIWWDUTPLV-VIFPVBQESA-N -1 3 351.270 0.945 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@]2(C)CCS(=O)(=O)C2)c(Br)n1 ZINC000866402139 672270906 /nfs/dbraw/zinc/27/09/06/672270906.db2.gz HKXWGXRIFAQSSX-SECBINFHSA-N -1 3 372.266 0.038 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cn(C)nc1Br)C(=O)NC(C)(C)C ZINC000866594374 672283859 /nfs/dbraw/zinc/28/38/59/672283859.db2.gz FFXIBLLVTLSIFD-ZETCQYMHSA-N -1 3 367.269 0.764 10 0 FCAEHM COCC(C)(C)[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866719268 672292374 /nfs/dbraw/zinc/29/23/74/672292374.db2.gz WLDAMIHGGAJJML-UHFFFAOYSA-N -1 3 373.216 0.728 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@H]2CCCN(CCF)C2)c(Br)n1 ZINC000867714282 672358042 /nfs/dbraw/zinc/35/80/42/672358042.db2.gz ZAJYKSXNDIQJOK-VIFPVBQESA-N -1 3 369.260 0.895 10 0 FCAEHM O=C1OC[C@@]2(C[N-]S(=O)(=O)c3ccc(Cl)cc3F)COCCN12 ZINC000867751417 672363590 /nfs/dbraw/zinc/36/35/90/672363590.db2.gz LTJARMKFEMMVCD-CYBMUJFWSA-N -1 3 364.782 0.979 10 0 FCAEHM COC(=O)[C@@H](CCC1OCCO1)[N-]S(=O)(=O)CC1CC(F)(F)C1 ZINC000867762751 672364603 /nfs/dbraw/zinc/36/46/03/672364603.db2.gz JCJXOJVWRWQMLW-SNVBAGLBSA-N -1 3 357.375 0.646 10 0 FCAEHM CC[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000926327389 673823258 /nfs/dbraw/zinc/82/32/58/673823258.db2.gz VTDNENRIDVIWQT-KSSFIOAISA-N -1 3 351.447 0.787 10 0 FCAEHM COC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)C(N)=O ZINC000800926866 675716653 /nfs/dbraw/zinc/71/66/53/675716653.db2.gz XXNDVHLDUPBELV-QMMMGPOBSA-N -1 3 371.640 0.881 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1cc(=O)cc[nH]1 ZINC001625854741 1168373849 /nfs/dbraw/zinc/37/38/49/1168373849.db2.gz BPKJZJRJSJKKRL-UHFFFAOYSA-N -1 3 373.793 0.876 10 0 FCAEHM CCn1c(=O)[nH]c2cc(C(=O)[N-]N3C(=O)[C@H](C)N(C)C3=O)ccc2c1=O ZINC001167405655 1169866251 /nfs/dbraw/zinc/86/62/51/1169866251.db2.gz VCFIYFRRPXUJQX-QMMMGPOBSA-N -1 3 359.342 0.049 10 0 FCAEHM CCN(CCNCc1nc(=O)n(C)[n-]1)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001482971231 1192476981 /nfs/dbraw/zinc/47/69/81/1192476981.db2.gz ZEJFQBCMXKNTIP-LSDHHAIUSA-N -1 3 361.421 0.989 10 0 FCAEHM O=C(CN1CCN(c2ccccn2)CC1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898216994 1192862568 /nfs/dbraw/zinc/86/25/68/1192862568.db2.gz ZQFFFHLEGYSXIY-AWEZNQCLSA-N -1 3 356.430 0.648 10 0 FCAEHM CN(C)c1nc(C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)cc(=O)[n-]1 ZINC000549644822 1186586243 /nfs/dbraw/zinc/58/62/43/1186586243.db2.gz WSLMYYRJIVSKDN-GFCCVEGCSA-N -1 3 356.386 0.569 10 0 FCAEHM CCN1CCN(c2ccc(C(=O)N3CCC[C@@H](O)[C@H]3C(=O)[O-])cc2)CC1 ZINC000911629921 1196305612 /nfs/dbraw/zinc/30/56/12/1196305612.db2.gz GWJJWJPEIWZWIW-SJORKVTESA-N -1 3 361.442 0.879 10 0 FCAEHM Cc1cc(C)nc(-n2[n-]c(C(=O)N[C@@]3(C)CN4CCC3CC4)cc2=O)n1 ZINC000912377905 1196343435 /nfs/dbraw/zinc/34/34/35/1196343435.db2.gz GPCZDGHHBGCYNF-SFHVURJKSA-N -1 3 356.430 0.787 10 0 FCAEHM COCCCNC(=O)COC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000046332159 1196612193 /nfs/dbraw/zinc/61/21/93/1196612193.db2.gz RXPZZNXHLYJZBN-CQSZACIVSA-N -1 3 364.398 0.693 10 0 FCAEHM C[C@H](O)C(=O)N1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CC1 ZINC000153200429 1197013172 /nfs/dbraw/zinc/01/31/72/1197013172.db2.gz JJZQHXWVUAVAHY-NSHDSACASA-N -1 3 356.382 0.694 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)CCC(=O)N2CCOc3ccccc32)n[n-]1 ZINC000735812004 1197884035 /nfs/dbraw/zinc/88/40/35/1197884035.db2.gz BQUPSOUSQXPLHO-UHFFFAOYSA-N -1 3 373.369 0.665 10 0 FCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1nnc2ccccc2c1[O-] ZINC000787662306 1200897238 /nfs/dbraw/zinc/89/72/38/1200897238.db2.gz PIEIKEWSUFOBPD-VHSXEESVSA-N -1 3 360.370 0.522 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)[n-]1 ZINC000787907188 1200917936 /nfs/dbraw/zinc/91/79/36/1200917936.db2.gz YUEACXNOMPQIME-LBPRGKRZSA-N -1 3 371.397 0.959 10 0 FCAEHM O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NCc1ncccc1[O-] ZINC000792611710 1201206993 /nfs/dbraw/zinc/20/69/93/1201206993.db2.gz JAIQQUCDFZVZCW-LJQANCHMSA-N -1 3 366.377 0.797 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(C(=O)CC3CS(=O)(=O)C3)CC2)n[n-]1 ZINC001626498806 1201287839 /nfs/dbraw/zinc/28/78/39/1201287839.db2.gz QDYSYXMAQDJLHC-UHFFFAOYSA-N -1 3 370.431 0.122 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(C(=O)CC3CS(=O)(=O)C3)CC2)[n-]1 ZINC001626498806 1201287842 /nfs/dbraw/zinc/28/78/42/1201287842.db2.gz QDYSYXMAQDJLHC-UHFFFAOYSA-N -1 3 370.431 0.122 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001136653867 1203244255 /nfs/dbraw/zinc/24/42/55/1203244255.db2.gz KDVYHRGNRQBOEN-OLZOCXBDSA-N -1 3 368.434 0.641 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@]1(Cc2ccccc2)CCN(C)C1=O ZINC001144232731 1204438427 /nfs/dbraw/zinc/43/84/27/1204438427.db2.gz HKTFCMWSDCVINK-BEFAXECRSA-N -1 3 356.426 0.706 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)CN1c2ccccc2OC(F)(F)C1=O ZINC001144232931 1204439020 /nfs/dbraw/zinc/43/90/20/1204439020.db2.gz OJQNPVXVAZMJOJ-SNVBAGLBSA-N -1 3 366.324 0.633 10 0 FCAEHM CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001144502057 1204542523 /nfs/dbraw/zinc/54/25/23/1204542523.db2.gz FQENOGWHYNVQDK-SNVBAGLBSA-N -1 3 367.406 0.072 10 0 FCAEHM C[C@H](C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001144502316 1204542588 /nfs/dbraw/zinc/54/25/88/1204542588.db2.gz JIGPUZBIOZNUMS-XQHKEYJVSA-N -1 3 360.414 0.995 10 0 FCAEHM CC(C)CN(Cc1nnn[n-]1)C(=O)CCN1CCN(c2ccccn2)CC1 ZINC001176593594 1206315530 /nfs/dbraw/zinc/31/55/30/1206315530.db2.gz HTXYGPRCHJIDFT-UHFFFAOYSA-N -1 3 372.477 0.792 10 0 FCAEHM CC(C)CN(Cc1nn[n-]n1)C(=O)CCN1CCN(c2ccccn2)CC1 ZINC001176593594 1206315532 /nfs/dbraw/zinc/31/55/32/1206315532.db2.gz HTXYGPRCHJIDFT-UHFFFAOYSA-N -1 3 372.477 0.792 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccc2c(c1)NC(=O)CO2 ZINC001180027312 1206387916 /nfs/dbraw/zinc/38/79/16/1206387916.db2.gz JFULSNBTQCTOHZ-NSHDSACASA-N -1 3 355.354 0.522 10 0 FCAEHM Cc1nn(CC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)c2ncccc12 ZINC001180028972 1206388034 /nfs/dbraw/zinc/38/80/34/1206388034.db2.gz XDKDGTXKHHOMCW-LBPRGKRZSA-N -1 3 353.386 0.630 10 0 FCAEHM Cn1nccc1[C@@H]1C[C@H](NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)CCO1 ZINC001183468508 1206453979 /nfs/dbraw/zinc/45/39/79/1206453979.db2.gz GHOCCHGKLLGVBX-ABAIWWIYSA-N -1 3 354.366 0.954 10 0 FCAEHM COCC1(C(=O)N2C[C@@H]3CCN(C(=O)c4c(C)nc[n-]c4=O)[C@@H]3C2)CC1 ZINC001489269938 1208747424 /nfs/dbraw/zinc/74/74/24/1208747424.db2.gz KORBVVSTLBOIEX-QWHCGFSZSA-N -1 3 360.414 0.590 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@H]1CCN(Cc2ncccn2)[C@@H]1C ZINC001489277006 1208755168 /nfs/dbraw/zinc/75/51/68/1208755168.db2.gz YPMCJWJYHMMLPK-HIFRSBDPSA-N -1 3 356.430 0.992 10 0 FCAEHM C[C@@H]1CN(C(=O)COCc2ccncc2)C[C@H]1NC(=O)c1cnc[n-]c1=O ZINC001489463672 1208847356 /nfs/dbraw/zinc/84/73/56/1208847356.db2.gz LYVOYGYGQRVOIR-IUODEOHRSA-N -1 3 371.397 0.371 10 0 FCAEHM CCCC(=O)N[C@@H]1CN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C[C@H]1OC ZINC001489503160 1208862774 /nfs/dbraw/zinc/86/27/74/1208862774.db2.gz SXCMURYHLZGIOI-ZIAGYGMSSA-N -1 3 359.382 0.326 10 0 FCAEHM COCCCCC(=O)N1CC[C@@H]2CN(C(=O)c3c(C)nc[n-]c3=O)[C@@H]2C1 ZINC001489666592 1209079627 /nfs/dbraw/zinc/07/96/27/1209079627.db2.gz ZDCNYAVRGWCPIM-ZIAGYGMSSA-N -1 3 362.430 0.980 10 0 FCAEHM CC(C)[C@@H](O)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC001489874845 1209132879 /nfs/dbraw/zinc/13/28/79/1209132879.db2.gz MAXNUXNGMKOTIU-HWWQOWPSSA-N -1 3 359.430 0.990 10 0 FCAEHM CCCCCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001489913153 1209152870 /nfs/dbraw/zinc/15/28/70/1209152870.db2.gz VWUIPPAZQQFASB-DZGCQCFKSA-N -1 3 359.434 0.843 10 0 FCAEHM O=C(CCC(F)F)NCc1cc(=O)[n-]c(CNC(=O)[C@]23C[C@H]2COC3)n1 ZINC001489968236 1209184771 /nfs/dbraw/zinc/18/47/71/1209184771.db2.gz CHAIYHBLZQMYAA-FVMDXXJSSA-N -1 3 370.356 0.496 10 0 FCAEHM CC[C@@H](C)OCC(=O)N1C[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@]2(C)C1 ZINC001490224986 1209277358 /nfs/dbraw/zinc/27/73/58/1209277358.db2.gz YLTVVYPAZQGAFY-VFVRVIDISA-N -1 3 362.430 0.918 10 0 FCAEHM CCO[C@@H](C)C(=O)N1C[C@@H](CNC(=O)c2c(C)nc[n-]c2=O)[C@H](C)C1 ZINC001490346911 1209309038 /nfs/dbraw/zinc/30/90/38/1209309038.db2.gz GKSRDTGPBYQNHH-KGYLQXTDSA-N -1 3 350.419 0.740 10 0 FCAEHM CN1C(=O)[C@H]2CN(C(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])C[C@H]2C1=O ZINC000871529394 1210163407 /nfs/dbraw/zinc/16/34/07/1210163407.db2.gz CQRFUGHBIJUNMF-MJBXVCDLSA-N -1 3 371.393 0.070 10 0 FCAEHM COCCN1C[C@H](C(=O)OCc2noc(-c3ccccc3[O-])n2)CC1=O ZINC000800129509 1210711779 /nfs/dbraw/zinc/71/17/79/1210711779.db2.gz QNKLCWRAMAMTJI-LLVKDONJSA-N -1 3 361.354 0.980 10 0 FCAEHM O=S(=O)(CCCS(=O)(=O)N[C@@H]1CC[C@H]2C[C@H]2C1)[N-]c1ccnnc1 ZINC000349534220 1210987593 /nfs/dbraw/zinc/98/75/93/1210987593.db2.gz GBKFCMJRNBPFKU-RWMBFGLXSA-N -1 3 374.488 0.716 10 0 FCAEHM CN1C[C@H](CCNC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])CC1=O ZINC000927739622 1211580290 /nfs/dbraw/zinc/58/02/90/1211580290.db2.gz GAOHJKUTBKGRGQ-LLVKDONJSA-N -1 3 374.372 0.472 10 0 FCAEHM CN1C[C@H](CCNC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)CC1=O ZINC000927739622 1211580293 /nfs/dbraw/zinc/58/02/93/1211580293.db2.gz GAOHJKUTBKGRGQ-LLVKDONJSA-N -1 3 374.372 0.472 10 0 FCAEHM CC[C@@H](CNC(=O)C(=O)NCCCN1CCc2ccccc2C1)C(=O)[O-] ZINC000927938733 1211593997 /nfs/dbraw/zinc/59/39/97/1211593997.db2.gz HFVGCRLJEQMEQP-AWEZNQCLSA-N -1 3 361.442 0.778 10 0 FCAEHM Cc1cc(C)nc(-n2[n-]c(C(=O)N(C)[C@H]3CN4CCC3CC4)cc2=O)n1 ZINC000900660361 1218020983 /nfs/dbraw/zinc/02/09/83/1218020983.db2.gz DWINTPCEEJNHEY-HNNXBMFYSA-N -1 3 356.430 0.739 10 0 FCAEHM COc1nnc(NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)[n-]1 ZINC000755743860 1220147462 /nfs/dbraw/zinc/14/74/62/1220147462.db2.gz YEMHPFULORYVEF-VIFPVBQESA-N -1 3 368.394 0.268 10 0 FCAEHM COc1nc(NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)n[n-]1 ZINC000755743860 1220147465 /nfs/dbraw/zinc/14/74/65/1220147465.db2.gz YEMHPFULORYVEF-VIFPVBQESA-N -1 3 368.394 0.268 10 0 FCAEHM COc1n[n-]c(NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)n1 ZINC000755743860 1220147469 /nfs/dbraw/zinc/14/74/69/1220147469.db2.gz YEMHPFULORYVEF-VIFPVBQESA-N -1 3 368.394 0.268 10 0 FCAEHM COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(Cc2cc(=O)n3nc(N)[n-]c3n2)C1 ZINC001118805133 1221831265 /nfs/dbraw/zinc/83/12/65/1221831265.db2.gz NBYODELHLCFIEU-SFYZADRCSA-N -1 3 374.323 0.173 10 0 FCAEHM O=C(C(=O)N1C[C@H]2CC[C@@H](C1)O2)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001118925000 1221845334 /nfs/dbraw/zinc/84/53/34/1221845334.db2.gz WQKMVHYEOJWDNW-IYBDPMFKSA-N -1 3 373.409 0.066 10 0 FCAEHM c1ccc(CCn2c(-c3nnn[n-]3)nnc2N2CCN(C3CC3)CC2)cc1 ZINC001122185028 1222248752 /nfs/dbraw/zinc/24/87/52/1222248752.db2.gz LMAMHHBGBUJJCV-UHFFFAOYSA-N -1 3 365.445 0.985 10 0 FCAEHM c1ccc(CCn2c(-c3nn[n-]n3)nnc2N2CCN(C3CC3)CC2)cc1 ZINC001122185028 1222248758 /nfs/dbraw/zinc/24/87/58/1222248758.db2.gz LMAMHHBGBUJJCV-UHFFFAOYSA-N -1 3 365.445 0.985 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CC[C@H](NC(=O)c3ccc(CN(C)C)nc3)C2)n1 ZINC001124000360 1222374746 /nfs/dbraw/zinc/37/47/46/1222374746.db2.gz LTOSJFRNWDSZJK-HNNXBMFYSA-N -1 3 356.430 0.956 10 0 FCAEHM COC(=O)[C@@]1([N-]C(=O)C(F)(F)n2cc(-c3ccccc3)nn2)CCOC1 ZINC000829948954 1222452063 /nfs/dbraw/zinc/45/20/63/1222452063.db2.gz UNHJSTCNARXHPN-OAHLLOKOSA-N -1 3 366.324 0.943 10 0 FCAEHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)C1CN([C@@H]2CCOC2)C1 ZINC001140272786 1222581798 /nfs/dbraw/zinc/58/17/98/1222581798.db2.gz SMCRTSKTFGEXEE-MBNYWOFBSA-N -1 3 362.430 0.587 10 0 FCAEHM C[C@H](NC(=O)C1CN([C@@H]2CCOC2)C1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001140272788 1222581870 /nfs/dbraw/zinc/58/18/70/1222581870.db2.gz SMCRTSKTFGEXEE-SGMGOOAPSA-N -1 3 362.430 0.587 10 0 FCAEHM C[C@@H](O)[C@@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])CCO1 ZINC000840567224 1222794124 /nfs/dbraw/zinc/79/41/24/1222794124.db2.gz RRIQISGHHVHWLU-YGRLFVJLSA-N -1 3 363.345 0.096 10 0 FCAEHM C[C@@H](O)[C@@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)CCO1 ZINC000840567224 1222794132 /nfs/dbraw/zinc/79/41/32/1222794132.db2.gz RRIQISGHHVHWLU-YGRLFVJLSA-N -1 3 363.345 0.096 10 0 FCAEHM Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)NCCCc1c[n-][nH]c1=O ZINC001149263201 1222881509 /nfs/dbraw/zinc/88/15/09/1222881509.db2.gz RPSINLYCNRMSKH-ZFWWWQNUSA-N -1 3 373.392 0.533 10 0 FCAEHM Cc1noc(COc2ccc(C(=O)NCCCc3c[n-][nH]c3=O)cn2)n1 ZINC001149261679 1222881520 /nfs/dbraw/zinc/88/15/20/1222881520.db2.gz CUNLFJAAEQJUBB-LLVKDONJSA-N -1 3 358.358 0.594 10 0 FCAEHM Cc1cc(=O)[n-]c(CNC(=O)C2=NO[C@H](CNC(=O)OC(C)(C)C)C2)n1 ZINC001164368254 1223237993 /nfs/dbraw/zinc/23/79/93/1223237993.db2.gz ALEJFZPYIALQRA-JTQLQIEISA-N -1 3 365.390 0.776 10 0 FCAEHM O=C(c1cnc[n-]c1=O)N1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC000941422078 1246616545 /nfs/dbraw/zinc/61/65/45/1246616545.db2.gz VRQGDHUSHBFJMR-VXGBXAGGSA-N -1 3 356.386 0.384 10 0 FCAEHM CO[C@H](C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cnc[n-]c2=O)C1)C(C)C ZINC001515149517 1265446293 /nfs/dbraw/zinc/44/62/93/1265446293.db2.gz BATCPAPXMRQQIK-SCRDCRAPSA-N -1 3 350.419 0.868 10 0 FCAEHM CCO[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CNC(=O)CCCOC ZINC001515240687 1265479038 /nfs/dbraw/zinc/47/90/38/1265479038.db2.gz OLIBQKMVCHLROU-TZMCWYRMSA-N -1 3 366.418 0.202 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@H]1Cc2cncn2C1 ZINC001328725876 1265603111 /nfs/dbraw/zinc/60/31/11/1265603111.db2.gz NJFOZGVKIBJVGO-ZDUSSCGKSA-N -1 3 350.382 0.620 10 0 FCAEHM COc1cccc([C@@H]2CN(Cc3cc(=O)n4nc(N)[n-]c4n3)CCO2)c1 ZINC001328895086 1265641991 /nfs/dbraw/zinc/64/19/91/1265641991.db2.gz GGHYFSZYLJPJNL-AWEZNQCLSA-N -1 3 356.386 0.582 10 0 FCAEHM COc1cccc([C@H](C)N2CCN(c3nnc(-c4nnn[n-]4)n3C)CC2)c1 ZINC001520117729 1265851584 /nfs/dbraw/zinc/85/15/84/1265851584.db2.gz SWSNSDFRCGYBET-LBPRGKRZSA-N -1 3 369.433 0.887 10 0 FCAEHM Cc1cc(C(=O)NCC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@H]2C)[nH]n1 ZINC001521978474 1266271509 /nfs/dbraw/zinc/27/15/09/1266271509.db2.gz VEVASXAUUZKBPQ-ZYHUDNBSSA-N -1 3 358.402 0.742 10 0 FCAEHM O=C([O-])CN(CC(F)(F)F)C(=O)NC[C@H]1CCN1C1CCOCC1 ZINC001335324383 1259606504 /nfs/dbraw/zinc/60/65/04/1259606504.db2.gz MIIGIQOCFFFMOZ-LLVKDONJSA-N -1 3 353.341 0.898 10 0 FCAEHM CCOC(=O)C[C@@H]1CCCN1C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001251450918 1259748674 /nfs/dbraw/zinc/74/86/74/1259748674.db2.gz JRTMDVJFBWQRDN-STQMWFEESA-N -1 3 363.418 0.888 10 0 FCAEHM CCOC(=O)C[C@@H]1CCCN1C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001251450916 1259748817 /nfs/dbraw/zinc/74/88/17/1259748817.db2.gz JRTMDVJFBWQRDN-OLZOCXBDSA-N -1 3 363.418 0.888 10 0 FCAEHM O=C(NCCCNc1ncccn1)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001251451073 1259748883 /nfs/dbraw/zinc/74/88/83/1259748883.db2.gz OFNLYGPCFXSJSH-GFCCVEGCSA-N -1 3 358.406 0.352 10 0 FCAEHM CC1(CNC(=O)C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)CCC1 ZINC001261100520 1260069862 /nfs/dbraw/zinc/06/98/62/1260069862.db2.gz UCVCAFOLKYQXPJ-UHFFFAOYSA-N -1 3 359.426 0.983 10 0 FCAEHM CN(C(=O)c1cnc[n-]c1=O)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C1CC1 ZINC001336928530 1260256103 /nfs/dbraw/zinc/25/61/03/1260256103.db2.gz VVSRVVOKGDHYJO-JMSVASOKSA-N -1 3 370.413 0.676 10 0 FCAEHM CN(C)c1cnn(C2CCN(C(=O)CN3CCC[C@H](C(=O)[O-])C3)CC2)c1 ZINC001262181190 1260275463 /nfs/dbraw/zinc/27/54/63/1260275463.db2.gz FDRMCJBIPFRYMO-AWEZNQCLSA-N -1 3 363.462 0.909 10 0 FCAEHM O=C(N[C@@H](CO)CNC(=O)[C@@H]1C[C@H]1c1ccco1)c1cccc2n[n-]nc21 ZINC001337876135 1260507531 /nfs/dbraw/zinc/50/75/31/1260507531.db2.gz BDBVYBAYDHFIQM-RAIGVLPGSA-N -1 3 369.381 0.562 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC001281119308 1261094655 /nfs/dbraw/zinc/09/46/55/1261094655.db2.gz IDOAKALMDJJNTA-MBNYWOFBSA-N -1 3 357.410 0.781 10 0 FCAEHM COCCN(CCNC(=O)c1c(C)nc[n-]c1=O)C(=O)[C@]12C[C@H]1CCC2 ZINC001281324920 1261111170 /nfs/dbraw/zinc/11/11/70/1261111170.db2.gz VAMGKWLNNOGHIK-FZKQIMNGSA-N -1 3 362.430 0.886 10 0 FCAEHM CCOCCC(=O)N1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001281812019 1261207090 /nfs/dbraw/zinc/20/70/90/1261207090.db2.gz GHFPGVZNXKPQTC-GOEBONIOSA-N -1 3 357.414 0.956 10 0 FCAEHM CC[C@@H](F)C(=O)N[C@@H]1CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C[C@H]1OC ZINC001281849408 1261232566 /nfs/dbraw/zinc/23/25/66/1261232566.db2.gz NGXCRIWGSXPOIH-RAIGVLPGSA-N -1 3 366.393 0.763 10 0 FCAEHM CNC(=O)NCCC(=O)NC[C@H]1CC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001282116802 1261343703 /nfs/dbraw/zinc/34/37/03/1261343703.db2.gz UNIVTZCYABYDFD-QWHCGFSZSA-N -1 3 362.430 0.726 10 0 FCAEHM CCCOCC(=O)NC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1OCC ZINC001282180074 1261371635 /nfs/dbraw/zinc/37/16/35/1261371635.db2.gz CECIIGKQFPKRPH-TZMCWYRMSA-N -1 3 366.418 0.202 10 0 FCAEHM COCC(=O)N(C)CC(=O)N[C@H]1CCN(C(=O)c2ccccc2[O-])[C@@H]1C ZINC001282355674 1261424197 /nfs/dbraw/zinc/42/41/97/1261424197.db2.gz UYYPGLBFKDJMLJ-OCCSQVGLSA-N -1 3 363.414 0.216 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCc2coc(CN(C)C)n2)c(C)o1 ZINC001472099938 1261436538 /nfs/dbraw/zinc/43/65/38/1261436538.db2.gz KIHBCKXSMWFBLE-UHFFFAOYSA-N -1 3 356.404 0.476 10 0 FCAEHM COC(=O)[C@@H](Cn1cncn1)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC001472117763 1261439542 /nfs/dbraw/zinc/43/95/42/1261439542.db2.gz POUNQWPOVYHFLZ-CYBMUJFWSA-N -1 3 350.350 0.804 10 0 FCAEHM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CC(NC3COC3)C2)o1 ZINC001472158321 1261445542 /nfs/dbraw/zinc/44/55/42/1261445542.db2.gz SCVWNVBGYHGEHH-UHFFFAOYSA-N -1 3 357.432 0.169 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC001472253482 1261455936 /nfs/dbraw/zinc/45/59/36/1261455936.db2.gz MUPXFFWWLCYELS-STQMWFEESA-N -1 3 371.397 0.519 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C[C@@](O)(c1nccn1C)C(F)(F)F ZINC001472507317 1261471935 /nfs/dbraw/zinc/47/19/35/1261471935.db2.gz XPSOFFMLQKCLNC-TVQRCGJNSA-N -1 3 361.324 0.188 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)c2cccc(Cn3cncn3)c2)[n-]1 ZINC001472545239 1261473912 /nfs/dbraw/zinc/47/39/12/1261473912.db2.gz IKLJOPLEWJCPQE-UHFFFAOYSA-N -1 3 355.358 0.551 10 0 FCAEHM Cc1nnccc1C(=O)NCC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001282552591 1261524230 /nfs/dbraw/zinc/52/42/30/1261524230.db2.gz UQUKJSQLZYWQMY-DGCLKSJQSA-N -1 3 370.413 0.809 10 0 FCAEHM C[C@H](NC(=O)CC(C)(C)C)C(=O)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@H]1C ZINC001345478434 1261717572 /nfs/dbraw/zinc/71/75/72/1261717572.db2.gz CCQUREZJICKBMQ-TUAOUCFPSA-N -1 3 364.450 0.465 10 0 FCAEHM CCCNC(=O)CCC(=O)N[C@H]1CCN(C(=O)c2cnc[n-]c2=O)[C@@H]1C ZINC001345509648 1261727652 /nfs/dbraw/zinc/72/76/52/1261727652.db2.gz WQWCAMSEUDVLEG-YPMHNXCESA-N -1 3 363.418 0.208 10 0 FCAEHM CC(C)[C@H](CCN(C)C(=O)[C@]12C[C@H]1COC2)NC(=O)c1cnc[n-]c1=O ZINC001285990760 1261903436 /nfs/dbraw/zinc/90/34/36/1261903436.db2.gz IYFIZPZWNMCRSE-YEWDVWPNSA-N -1 3 362.430 0.822 10 0 FCAEHM O=C(N[C@H](CO)CNC(=O)[C@@H]1C[C@H]1C1CC1)c1c[n-]c2ccccc2c1=O ZINC001287785686 1261975723 /nfs/dbraw/zinc/97/57/23/1261975723.db2.gz CUCKPWINFZENBB-AEGPPILISA-N -1 3 369.421 0.781 10 0 FCAEHM O=C(N[C@@H](CO)CNC(=O)[C@@H]1C[C@H]1C1CC1)c1cc(=O)[n-]c(C2CC2)n1 ZINC001287786710 1261976827 /nfs/dbraw/zinc/97/68/27/1261976827.db2.gz MZLOMQGIHHQOJC-FRRDWIJNSA-N -1 3 360.414 0.313 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCOC2)C1 ZINC001289272398 1262159655 /nfs/dbraw/zinc/15/96/55/1262159655.db2.gz NWENZABNRBVDSY-MRVWCRGKSA-N -1 3 362.430 0.884 10 0 FCAEHM CNC(=O)CCCCC(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001289331944 1262176090 /nfs/dbraw/zinc/17/60/90/1262176090.db2.gz MAPYQGSVLOIVGJ-DGCLKSJQSA-N -1 3 363.418 0.065 10 0 FCAEHM CCOC(=O)c1cccc2[n-]c(NC(=O)Cn3nc(C)n(C)c3=O)nc21 ZINC001289644310 1262285531 /nfs/dbraw/zinc/28/55/31/1262285531.db2.gz QBOOBQITJPQWPA-UHFFFAOYSA-N -1 3 358.358 0.582 10 0 FCAEHM O=C(CCC(F)F)N1C[C@@H](NC(=O)c2cc(=O)[n-]c(C3CC3)n2)[C@@H](O)C1 ZINC001289649973 1262288720 /nfs/dbraw/zinc/28/87/20/1262288720.db2.gz BRJAJGQBUNARPX-MNOVXSKESA-N -1 3 370.356 0.406 10 0 FCAEHM COc1cccc([C@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)N2CCCC2)c1 ZINC001290014502 1262374081 /nfs/dbraw/zinc/37/40/81/1262374081.db2.gz SOUGRNATJYFQSD-AWEZNQCLSA-N -1 3 361.402 0.651 10 0 FCAEHM CCO[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1CNC(=O)CCOC ZINC001290268061 1262417657 /nfs/dbraw/zinc/41/76/57/1262417657.db2.gz QMVNBGBVRZASHB-CHWSQXEVSA-N -1 3 366.418 0.120 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)CCOCCOC)CCN1C(=O)c1cnc[n-]c1=O ZINC001290438159 1262444321 /nfs/dbraw/zinc/44/43/21/1262444321.db2.gz ICMFPUCDYBRFHR-UONOGXRCSA-N -1 3 366.418 0.345 10 0 FCAEHM CCNC(=O)CC(=O)N1CC[C@H](NC(=O)c2c(C)nc[n-]c2=O)[C@H]1CC ZINC001290459846 1262449359 /nfs/dbraw/zinc/44/93/59/1262449359.db2.gz AUCNQSRSRZMPDS-NWDGAFQWSA-N -1 3 363.418 0.126 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)c2cccc3n[n-]nc32)CCN1C(=O)COCC(F)F ZINC001290631159 1262480818 /nfs/dbraw/zinc/48/08/18/1262480818.db2.gz OQBKOEUUSOMWGI-KOLCDFICSA-N -1 3 367.356 0.959 10 0 FCAEHM C[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@H]1C ZINC001290669725 1262490498 /nfs/dbraw/zinc/49/04/98/1262490498.db2.gz OXJFAPJQEJXDHF-SCRDCRAPSA-N -1 3 370.413 0.342 10 0 FCAEHM COCCO[C@H](C)C(=O)N1CC[C@H](NC(=O)c2c(C)nc[n-]c2=O)[C@H]1C ZINC001290702890 1262498480 /nfs/dbraw/zinc/49/84/80/1262498480.db2.gz MHYHXYMNGLYOTJ-UPJWGTAASA-N -1 3 366.418 0.261 10 0 FCAEHM C[C@](O)(CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O)C1CC1 ZINC001291835744 1262596609 /nfs/dbraw/zinc/59/66/09/1262596609.db2.gz ATTPRQHWJQWYGS-NLNKHKNDSA-N -1 3 360.414 0.595 10 0 FCAEHM NC(=O)CCCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3n[n-]nc31)C2 ZINC001291876132 1262603139 /nfs/dbraw/zinc/60/31/39/1262603139.db2.gz SHXXEXFGTIKOGA-SWHYSGLUSA-N -1 3 370.413 0.475 10 0 FCAEHM CO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1c(C)nc(C)[n-]c1=O ZINC001292048689 1262636204 /nfs/dbraw/zinc/63/62/04/1262636204.db2.gz BSPDHPXOWJMZQJ-LTZCYQRMSA-N -1 3 362.430 0.625 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1nc[nH]n1 ZINC001292153490 1262656748 /nfs/dbraw/zinc/65/67/48/1262656748.db2.gz ZCBHKPUENOKCTJ-RTXFEEFZSA-N -1 3 371.401 0.103 10 0 FCAEHM CC1=C(C)C(=O)N(CCC(=O)NCCNC(=O)c2ccc([O-])cc2)C1=O ZINC001294909765 1262750138 /nfs/dbraw/zinc/75/01/38/1262750138.db2.gz ZSYTXHQTBGSOBE-UHFFFAOYSA-N -1 3 359.382 0.334 10 0 FCAEHM CO[C@H](CC(=O)NC[C@H]1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1)C(F)(F)F ZINC001479486388 1263218803 /nfs/dbraw/zinc/21/88/03/1263218803.db2.gz GLEHZWKQBGLXMT-IVZWLZJFSA-N -1 3 365.356 0.852 10 0 FCAEHM C[C@@H]1CN(CCNC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)[C@@H](C)CO1 ZINC001479506192 1263234258 /nfs/dbraw/zinc/23/42/58/1263234258.db2.gz BOXFHHUDKUXPGY-BFHYXJOUSA-N -1 3 364.450 0.169 10 0 FCAEHM O=C(N[C@@H]1Cc2ccccc2[C@H]1O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001479510473 1263235576 /nfs/dbraw/zinc/23/55/76/1263235576.db2.gz WBULZLHDJRHYFC-DXCKQFNASA-N -1 3 355.398 0.718 10 0 FCAEHM COC[C@@H](C)C(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)c2cn[n-]n2)CC1 ZINC001486527024 1263543389 /nfs/dbraw/zinc/54/33/89/1263543389.db2.gz UFDLVEYNVVLHOF-KYOSRNDESA-N -1 3 365.434 0.213 10 0 FCAEHM Cc1nnc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)n1CC1(O)CC1 ZINC001492891658 1263680637 /nfs/dbraw/zinc/68/06/37/1263680637.db2.gz VABCDEDJZPRKQM-UHFFFAOYSA-N -1 3 357.414 0.779 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NC[C@@H](O)CNC(=O)CCc1c(C)nc[n-]c1=O ZINC001501577090 1264137983 /nfs/dbraw/zinc/13/79/83/1264137983.db2.gz YCZVZDVJZMSYCZ-MBNYWOFBSA-N -1 3 350.419 0.063 10 0 FCAEHM CC[C@@H](F)C(=O)N[C@@H]1CN(C(=O)c2c(C)nc(C(C)C)[n-]c2=O)C[C@H]1O ZINC001513032342 1264875258 /nfs/dbraw/zinc/87/52/58/1264875258.db2.gz XUOZXSJGAFVNNS-IJLUTSLNSA-N -1 3 368.409 0.664 10 0 FCAEHM CC[C@H](C)CC(=O)N[C@@H]1CN(C(=O)Cc2c(C)nc(C)[n-]c2=O)C[C@@H]1O ZINC001513498970 1265156267 /nfs/dbraw/zinc/15/62/67/1265156267.db2.gz DLHJSXHLALWHDM-VQISRLSMSA-N -1 3 364.446 0.466 10 0 FCAEHM C[C@@H](CC(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1)C(C)(C)C ZINC001513542571 1265192616 /nfs/dbraw/zinc/19/26/16/1265192616.db2.gz CYYUESYGSMTELD-UHTWSYAYSA-N -1 3 350.419 0.556 10 0 FCAEHM COC(=O)c1nc[n-]c1NC(=O)c1nc(S(C)(=O)=O)ccc1Cl ZINC001525802745 1266768167 /nfs/dbraw/zinc/76/81/67/1266768167.db2.gz KMHBXOHRBYCODJ-UHFFFAOYSA-N -1 3 358.763 0.901 10 0 FCAEHM COC(=O)c1[n-]cnc1NC(=O)c1nc(S(C)(=O)=O)ccc1Cl ZINC001525802745 1266768171 /nfs/dbraw/zinc/76/81/71/1266768171.db2.gz KMHBXOHRBYCODJ-UHFFFAOYSA-N -1 3 358.763 0.901 10 0 FCAEHM C/C(=C/C(=O)N[C@@H]1CCN(c2nc(C)cc(=O)[n-]2)C1)CN1CCOCC1 ZINC001528887272 1267004983 /nfs/dbraw/zinc/00/49/83/1267004983.db2.gz YKGXKMOINANETO-UZGISAJGSA-N -1 3 361.446 0.464 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)[C@]1([C@@H]2CCCCO2)CCCO1 ZINC001529187397 1267041472 /nfs/dbraw/zinc/04/14/72/1267041472.db2.gz GGQOYOJMWXVJCX-QWQRMKEZSA-N -1 3 362.430 0.995 10 0 FCAEHM O=C([N-]CCCN1CCN(C[C@H]2CCCS2(=O)=O)CC1)C(F)(F)F ZINC001335027574 1267287111 /nfs/dbraw/zinc/28/71/11/1267287111.db2.gz SPLPHGYSADCWAM-GFCCVEGCSA-N -1 3 371.425 0.250 10 0 FCAEHM COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1ncc(S(=O)(=O)[N-]C(C)(C)C)s1 ZINC001535465949 1267295042 /nfs/dbraw/zinc/29/50/42/1267295042.db2.gz OMBYDRVYGYXJNG-JGVFFNPUSA-N -1 3 361.445 0.968 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(NS(C)(=O)=O)CC2)c1 ZINC001543111622 1267523964 /nfs/dbraw/zinc/52/39/64/1267523964.db2.gz PFKAUPKRFASENW-UHFFFAOYSA-N -1 3 367.427 0.671 10 0 FCAEHM Cc1nc(C)c(CC(=O)N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)c(=O)[n-]1 ZINC001544860390 1267596180 /nfs/dbraw/zinc/59/61/80/1267596180.db2.gz YKLPGDPYUBOYOF-UHFFFAOYSA-N -1 3 371.397 0.427 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@H](O)CN(C)C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001338568910 1267989930 /nfs/dbraw/zinc/98/99/30/1267989930.db2.gz DJNUPWZLHSLTTJ-IHRRRGAJSA-N -1 3 362.430 0.476 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001338584532 1267995752 /nfs/dbraw/zinc/99/57/52/1267995752.db2.gz DOUIBOIWZMXMPF-HZSPNIEDSA-N -1 3 364.446 0.722 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC001339961197 1268387856 /nfs/dbraw/zinc/38/78/56/1268387856.db2.gz VRABSYMPCMNFBM-YPMHNXCESA-N -1 3 356.448 0.257 10 0 FCAEHM C[C@H](CCCCNC(=O)[C@H]1OCCO[C@H]1C)NC(=O)c1cnc[n-]c1=O ZINC001340723369 1268635132 /nfs/dbraw/zinc/63/51/32/1268635132.db2.gz CNTMWWSEYBABAX-DYEKYZERSA-N -1 3 366.418 0.391 10 0 FCAEHM COCCC[C@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001341233155 1268880151 /nfs/dbraw/zinc/88/01/51/1268880151.db2.gz VTCLYGUYNHFOHN-JGGQBBKZSA-N -1 3 350.415 0.756 10 0 FCAEHM CC(C)(C)NS(=O)(=O)CC(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001556923346 1268905833 /nfs/dbraw/zinc/90/58/33/1268905833.db2.gz QBLCJWOKOSRFBJ-UHFFFAOYSA-N -1 3 352.420 0.447 10 0 FCAEHM CC(C)(C)NS(=O)(=O)CC(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001556923346 1268905837 /nfs/dbraw/zinc/90/58/37/1268905837.db2.gz QBLCJWOKOSRFBJ-UHFFFAOYSA-N -1 3 352.420 0.447 10 0 FCAEHM CCN1CCN(CC(C)(C)NC(=O)CCCn2c(=O)[n-][nH]c2=O)CC1 ZINC001557059424 1268923356 /nfs/dbraw/zinc/92/33/56/1268923356.db2.gz ZHZJICHLQDHPGY-UHFFFAOYSA-N -1 3 354.455 0.002 10 0 FCAEHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)CN2CCCC3(CC3)S2(=O)=O)n1 ZINC001557313650 1268942808 /nfs/dbraw/zinc/94/28/08/1268942808.db2.gz LRTZSTJGEOJKJI-UHFFFAOYSA-N -1 3 368.459 0.800 10 0 FCAEHM CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001557319931 1268944049 /nfs/dbraw/zinc/94/40/49/1268944049.db2.gz PACCLEHJFMUYKB-GHMZBOCLSA-N -1 3 354.407 0.707 10 0 FCAEHM Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)NCCCc1c[n-][nH]c1=O ZINC001557700787 1268967971 /nfs/dbraw/zinc/96/79/71/1268967971.db2.gz CTSFCHYFXNHYEG-GFCCVEGCSA-N -1 3 366.443 0.487 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)[C@@H](O)[C@@H](O)c1nc2ccccc2s1 ZINC001557702522 1268968501 /nfs/dbraw/zinc/96/85/01/1268968501.db2.gz WFYDEJFPVPQBID-TVYUQYBPSA-N -1 3 362.411 0.319 10 0 FCAEHM O=C(C[C@H]1CS(=O)(=O)c2ccccc2O1)NCCCc1c[n-][nH]c1=O ZINC001557700822 1268968591 /nfs/dbraw/zinc/96/85/91/1268968591.db2.gz AOGGBAABJRTTMB-RYUDHWBXSA-N -1 3 365.411 0.240 10 0 FCAEHM CCCC[C@H](CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001341541258 1269068148 /nfs/dbraw/zinc/06/81/48/1269068148.db2.gz ATXBHPOSDUSHPU-IACUBPJLSA-N -1 3 350.419 0.700 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)[C@@H](NC(N)=O)C(C)(C)C)CC2)n1 ZINC001558398980 1269083798 /nfs/dbraw/zinc/08/37/98/1269083798.db2.gz JWROPVZREPORAT-GFCCVEGCSA-N -1 3 350.423 0.222 10 0 FCAEHM CCCOc1ccnc(CC(=O)N2CCN(c3nc(C)cc(=O)[n-]3)CC2)n1 ZINC001558399157 1269084728 /nfs/dbraw/zinc/08/47/28/1269084728.db2.gz LBEAFBGNQCDPEF-UHFFFAOYSA-N -1 3 372.429 0.961 10 0 FCAEHM Cc1ccc2ncc(C(=O)N[C@H]3CCN(c4cc(=O)[n-]cn4)C3)c(=O)n2c1 ZINC001558698353 1269132421 /nfs/dbraw/zinc/13/24/21/1269132421.db2.gz WXBHVPCRTHWTQO-LBPRGKRZSA-N -1 3 366.381 0.507 10 0 FCAEHM O=C(Cn1c(=O)cnc2ccccc21)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001558698399 1269132559 /nfs/dbraw/zinc/13/25/59/1269132559.db2.gz YDBOTFJYPVCLTA-GFCCVEGCSA-N -1 3 366.381 0.287 10 0 FCAEHM CO[C@@]1(C(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)CCS(=O)(=O)C1 ZINC001558730479 1269134577 /nfs/dbraw/zinc/13/45/77/1269134577.db2.gz IFZOSOPTANTCEY-MKBNYLNASA-N -1 3 369.443 0.528 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NCCC[C@@H]1CCOC1=O ZINC001559029463 1269162203 /nfs/dbraw/zinc/16/22/03/1269162203.db2.gz FWBPUVNSDIQGEF-LLVKDONJSA-N -1 3 359.404 0.029 10 0 FCAEHM C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001560115889 1269187949 /nfs/dbraw/zinc/18/79/49/1269187949.db2.gz LWEKSFCOHIIFRR-CMPLNLGQSA-N -1 3 359.430 0.488 10 0 FCAEHM CCOC(=O)[C@@H]1CN(Cc2cc(=O)n3nc(N)[n-]c3n2)C[C@H]1C(F)(F)F ZINC001560120493 1269190100 /nfs/dbraw/zinc/19/01/00/1269190100.db2.gz YROSDAWBEHOLPJ-RKDXNWHRSA-N -1 3 374.323 0.173 10 0 FCAEHM CCO[C@H](C)C(=O)N[C@@H]1CN(C(=O)CCc2c(C)nc[n-]c2=O)C[C@H]1C ZINC001341994776 1269294447 /nfs/dbraw/zinc/29/44/47/1269294447.db2.gz WDWLPYXFVYRRGF-UXIGCNINSA-N -1 3 364.446 0.811 10 0 FCAEHM COC[C@H](C)C(=O)N[C@@H]1CN(C(=O)CCc2c(C)nc[n-]c2=O)C[C@H]1C ZINC001342048872 1269319422 /nfs/dbraw/zinc/31/94/22/1269319422.db2.gz JLCSDLMATXLJNY-TYNCELHUSA-N -1 3 364.446 0.669 10 0 FCAEHM CCCN1C[C@H](CNC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)CC1=O ZINC001564953720 1269446375 /nfs/dbraw/zinc/44/63/75/1269446375.db2.gz PUMTZZOBDIWVME-QWHCGFSZSA-N -1 3 362.434 0.319 10 0 FCAEHM COc1ccc(Cn2nnc(C(=O)NCCc3c(C)[n-][nH]c3=O)c2C)cc1 ZINC001565612462 1269482417 /nfs/dbraw/zinc/48/24/17/1269482417.db2.gz PUPXEPUXDIQCOE-HNNXBMFYSA-N -1 3 370.413 0.885 10 0 FCAEHM CCOC(=O)c1cc(NC(=O)CC2(O)CN(C(=O)OC(C)(C)C)C2)[n-]n1 ZINC001567160747 1269679563 /nfs/dbraw/zinc/67/95/63/1269679563.db2.gz UZPCBPBOVCYADF-UHFFFAOYSA-N -1 3 368.390 0.897 10 0 FCAEHM CCOC(=O)c1cc(NC(=O)CC2(O)CN(C(=O)OC(C)(C)C)C2)n[n-]1 ZINC001567160747 1269679571 /nfs/dbraw/zinc/67/95/71/1269679571.db2.gz UZPCBPBOVCYADF-UHFFFAOYSA-N -1 3 368.390 0.897 10 0 FCAEHM Cn1[n-]c(CNC2(CNC(=O)[C@@H]3C[C@H]3C3CCC3)CCOCC2)nc1=O ZINC001569734146 1269799551 /nfs/dbraw/zinc/79/95/51/1269799551.db2.gz SKPWHLXMLSWYHO-UONOGXRCSA-N -1 3 363.462 0.300 10 0 FCAEHM Cc1nc(C)c(CC(=O)N[C@H](C)CN(C)C(=O)[C@]23C[C@H]2COC3)c(=O)[n-]1 ZINC001572264028 1270020317 /nfs/dbraw/zinc/02/03/17/1270020317.db2.gz AKOVJRYTYLPTRZ-LNSDYSHSSA-N -1 3 362.430 0.341 10 0 FCAEHM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccncc1)NC(=O)c1cnc[n-]c1=O ZINC001572263784 1270020618 /nfs/dbraw/zinc/02/06/18/1270020618.db2.gz VOUMIFFPKRRTFV-KWCYVHTRSA-N -1 3 355.398 0.958 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CN(C)C(=O)c1c(C)nc[n-]c1=O ZINC001572291210 1270024492 /nfs/dbraw/zinc/02/44/92/1270024492.db2.gz HBNRJXNOPPHMRA-UHTWSYAYSA-N -1 3 350.419 0.882 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](NC(=O)C=Cc2ccco2)[C@@H](O)C1 ZINC001572974547 1270435097 /nfs/dbraw/zinc/43/50/97/1270435097.db2.gz QLDCYQCPWSDNLO-CIUCYMIDSA-N -1 3 358.354 0.099 10 0 FCAEHM O=C(COC[C@@H]1CCCO1)NC[C@H]1CC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC001573182196 1270642010 /nfs/dbraw/zinc/64/20/10/1270642010.db2.gz CTETYHANQKFJGO-XQQFMLRXSA-N -1 3 351.407 0.015 10 0 FCAEHM CC(C)(C)C(=O)NCCC(=O)NC[C@H]1CC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC001573189074 1270649009 /nfs/dbraw/zinc/64/90/09/1270649009.db2.gz YUEFNYCQNNHPGM-NWDGAFQWSA-N -1 3 364.450 0.372 10 0 FCAEHM CC(C)OCC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)c1cnc[n-]c1=O ZINC001573233253 1270700250 /nfs/dbraw/zinc/70/02/50/1270700250.db2.gz ZIPJFHUUHPIHBS-OLZOCXBDSA-N -1 3 350.419 0.964 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)CC(N)=O)CCN1C(=O)c1nnc2ccccc2c1[O-] ZINC001573262652 1270715830 /nfs/dbraw/zinc/71/58/30/1270715830.db2.gz CGAUNIRAGDZWKB-QWHCGFSZSA-N -1 3 371.397 0.320 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)CN(C)C(=O)C2CC2)CCN1C(=O)c1ccccc1[O-] ZINC001573512344 1270800681 /nfs/dbraw/zinc/80/06/81/1270800681.db2.gz HMLYDYIRGSVBGN-DOMZBBRYSA-N -1 3 359.426 0.980 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1CC[C@H](NC(=O)CCn2ccnc2)[C@H]1C ZINC001573552136 1270827262 /nfs/dbraw/zinc/82/72/62/1270827262.db2.gz HLQYOMYJTSKIBL-OLZOCXBDSA-N -1 3 358.402 0.497 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1CCNC(=O)CCNC(N)=O ZINC001573982254 1270974500 /nfs/dbraw/zinc/97/45/00/1270974500.db2.gz VIOZGFHCNKSOSA-CHWSQXEVSA-N -1 3 362.430 0.665 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NCC[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1C ZINC001574040442 1271025447 /nfs/dbraw/zinc/02/54/47/1271025447.db2.gz XISWAVCRHXYFNS-MWLCHTKSSA-N -1 3 359.390 0.137 10 0 FCAEHM O=C(COCc1ccncc1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn[n-]n1)C2 ZINC001574294458 1271169420 /nfs/dbraw/zinc/16/94/20/1271169420.db2.gz BETZVANKGNMYQR-IPYPFGDCSA-N -1 3 356.386 0.278 10 0 FCAEHM COCCCOCCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn[n-]n1)C2 ZINC001574295083 1271170136 /nfs/dbraw/zinc/17/01/36/1271170136.db2.gz NKQSMNUIFJCLGU-DYEKYZERSA-N -1 3 351.407 0.110 10 0 FCAEHM CCC[C@@H]1C[C@H]1C(=O)N1CCN(CCNC(=O)c2cnc[n-]c2=O)CC1 ZINC001577858894 1275016133 /nfs/dbraw/zinc/01/61/33/1275016133.db2.gz LZSSOHQSJAXPMG-ZIAGYGMSSA-N -1 3 361.446 0.492 10 0 FCAEHM CCCN(CCNC(=O)[C@]12CCC[C@H]1OCC2)Cc1nc(=O)n(C)[n-]1 ZINC001714654514 1287329646 /nfs/dbraw/zinc/32/96/46/1287329646.db2.gz TXAKLLDUHYOQTG-DYVFJYSZSA-N -1 3 351.451 0.396 10 0 FCAEHM CCOC(=O)N1CCC[C@H](C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)C1 ZINC001603293489 1287348048 /nfs/dbraw/zinc/34/80/48/1287348048.db2.gz WWCRVRDFKBLKLY-STQMWFEESA-N -1 3 363.418 0.746 10 0 FCAEHM CC(C)(C)OC(=O)N1CC(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)C1 ZINC001603292283 1287348107 /nfs/dbraw/zinc/34/81/07/1287348107.db2.gz OYZBFSMROLAUHK-LBPRGKRZSA-N -1 3 363.418 0.744 10 0 FCAEHM CN(C)C(=O)N1CCC(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)CC1 ZINC001603292309 1287348238 /nfs/dbraw/zinc/34/82/38/1287348238.db2.gz PXIRIWYNBVITAN-CYBMUJFWSA-N -1 3 362.434 0.271 10 0 FCAEHM CCN(CCNCc1nc(=O)n(C)[n-]1)C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001716229047 1287374171 /nfs/dbraw/zinc/37/41/71/1287374171.db2.gz CTNPGZMREUOFAH-UONOGXRCSA-N -1 3 351.451 0.109 10 0 FCAEHM Cn1[n-]c(CNC[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)C(C)(C)C)nc1=O ZINC001717962811 1287451306 /nfs/dbraw/zinc/45/13/06/1287451306.db2.gz ANMDMJDPNNGUIP-NFAWXSAZSA-N -1 3 365.478 0.544 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)NC1(CCO)CN(C(=O)c2ccccc2[O-])C1 ZINC001718219805 1287481247 /nfs/dbraw/zinc/48/12/47/1287481247.db2.gz CSDFSKMZDOAUMA-ZBFHGGJFSA-N -1 3 362.426 0.901 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H](CNC(=O)c1cnc[n-]c1=O)C1CC1 ZINC001718513583 1287513593 /nfs/dbraw/zinc/51/35/93/1287513593.db2.gz SUTDGGMUZSTZEZ-SNPRPXQTSA-N -1 3 362.430 0.964 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N(C)C[C@@H](C)NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001718578411 1287523011 /nfs/dbraw/zinc/52/30/11/1287523011.db2.gz SDPMEBFYZIPBNR-GVUJHPQVSA-N -1 3 362.430 0.882 10 0 FCAEHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)c1ccc(=O)n(-c2ccccc2)n1 ZINC001583369250 1282085782 /nfs/dbraw/zinc/08/57/82/1282085782.db2.gz QBWVYFBYLJXQLD-UHFFFAOYSA-N -1 3 355.379 0.947 10 0 FCAEHM CCOC(=O)c1cc(NC(=O)CCOC(=O)CNC(=O)C(C)(C)C)[n-]n1 ZINC001632129230 1282158417 /nfs/dbraw/zinc/15/84/17/1282158417.db2.gz JCOGVRDGXXIRIU-UHFFFAOYSA-N -1 3 368.390 0.621 10 0 FCAEHM CCOC(=O)c1cc(NC(=O)CCOC(=O)CNC(=O)C(C)(C)C)n[n-]1 ZINC001632129230 1282158420 /nfs/dbraw/zinc/15/84/20/1282158420.db2.gz JCOGVRDGXXIRIU-UHFFFAOYSA-N -1 3 368.390 0.621 10 0 FCAEHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001632247258 1282166151 /nfs/dbraw/zinc/16/61/51/1282166151.db2.gz PDEXCXDCRVCHNJ-QMMMGPOBSA-N -1 3 363.189 0.006 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)COc1ccc(Br)cn1 ZINC001632758808 1282205198 /nfs/dbraw/zinc/20/51/98/1282205198.db2.gz TUXNJYLGBBXBOV-SNVBAGLBSA-N -1 3 355.192 0.851 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CC(C)C ZINC001585162963 1282207188 /nfs/dbraw/zinc/20/71/88/1282207188.db2.gz BQSALJQFFHOODO-KGLIPLIRSA-N -1 3 362.434 0.111 10 0 FCAEHM O=C(Nc1ccc(I)cc1[O-])C1CS(=O)(=O)C1 ZINC001633887821 1282281022 /nfs/dbraw/zinc/28/10/22/1282281022.db2.gz KJMLIYPBMYFIHT-UHFFFAOYSA-N -1 3 367.164 0.980 10 0 FCAEHM O=C(N[C@@H]1CCn2cncc21)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001634084641 1282296439 /nfs/dbraw/zinc/29/64/39/1282296439.db2.gz BFYDROHQFSCBLG-GFCCVEGCSA-N -1 3 355.329 0.945 10 0 FCAEHM O=C(N[C@@H]1CCn2cncc21)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001634084641 1282296449 /nfs/dbraw/zinc/29/64/49/1282296449.db2.gz BFYDROHQFSCBLG-GFCCVEGCSA-N -1 3 355.329 0.945 10 0 FCAEHM CSCC[C@H](NC(=O)c1ccco1)C(=O)NCCCc1c[n-][nH]c1=O ZINC001634138736 1282303784 /nfs/dbraw/zinc/30/37/84/1282303784.db2.gz MALRVBZHJSSKRH-RYUDHWBXSA-N -1 3 366.443 0.759 10 0 FCAEHM Cc1cccc(CS(=O)(=O)CCC(=O)NCCCc2c[n-][nH]c2=O)c1 ZINC001634143095 1282304200 /nfs/dbraw/zinc/30/42/00/1282304200.db2.gz DTEMRXRWLOEJIN-HNNXBMFYSA-N -1 3 365.455 0.928 10 0 FCAEHM CC(C)(C)OC(=O)N1CC(OCC(=O)NCCCc2c[n-][nH]c2=O)C1 ZINC001634143637 1282304278 /nfs/dbraw/zinc/30/42/78/1282304278.db2.gz MDEVLRIUDNEBFU-LLVKDONJSA-N -1 3 354.407 0.251 10 0 FCAEHM COc1ccccc1[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N1CCCC1 ZINC001586865450 1282317250 /nfs/dbraw/zinc/31/72/50/1282317250.db2.gz KYFWPPNLXXFAME-ZDUSSCGKSA-N -1 3 361.402 0.651 10 0 FCAEHM O=C(Cn1cnnn1)Nc1[n-]ncc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001587094867 1282329878 /nfs/dbraw/zinc/32/98/78/1282329878.db2.gz CVNDMYJTLNHSHS-UHFFFAOYSA-N -1 3 367.778 0.521 10 0 FCAEHM O=C(Cn1cnnn1)Nc1n[n-]cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001587094867 1282329886 /nfs/dbraw/zinc/32/98/86/1282329886.db2.gz CVNDMYJTLNHSHS-UHFFFAOYSA-N -1 3 367.778 0.521 10 0 FCAEHM CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1[nH]c(=O)[n-]c(=O)c1N ZINC001587572582 1282366131 /nfs/dbraw/zinc/36/61/31/1282366131.db2.gz NVNLALZFOQTRKK-UHFFFAOYSA-N -1 3 354.370 0.987 10 0 FCAEHM Cc1cccc(N2CCN(CCCNC(=O)Cn3c(=O)[n-][nH]c3=O)CC2)c1 ZINC001587781971 1282379564 /nfs/dbraw/zinc/37/95/64/1282379564.db2.gz QJRDUBPWQOZVKX-UHFFFAOYSA-N -1 3 374.445 0.326 10 0 FCAEHM COC(=O)[C@@H](CCC1OCCO1)NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC001587982819 1282391416 /nfs/dbraw/zinc/39/14/16/1282391416.db2.gz YQRQZPOBZVCXSI-CYBMUJFWSA-N -1 3 366.370 0.775 10 0 FCAEHM COC(=O)[C@H](CCC1OCCO1)NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC001587982821 1282391501 /nfs/dbraw/zinc/39/15/01/1282391501.db2.gz YQRQZPOBZVCXSI-ZDUSSCGKSA-N -1 3 366.370 0.775 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(C(=O)C3=CCS(=O)(=O)C3)CC2)n[n-]1 ZINC001635468019 1282408234 /nfs/dbraw/zinc/40/82/34/1282408234.db2.gz HQVCYYQALSQFOE-UHFFFAOYSA-N -1 3 368.415 0.042 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(C(=O)C3=CCS(=O)(=O)C3)CC2)[n-]1 ZINC001635468019 1282408239 /nfs/dbraw/zinc/40/82/39/1282408239.db2.gz HQVCYYQALSQFOE-UHFFFAOYSA-N -1 3 368.415 0.042 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)Nc1ccn(CCF)n1 ZINC001636031852 1282453931 /nfs/dbraw/zinc/45/39/31/1282453931.db2.gz WEUOTIOQFWZRCX-UHFFFAOYSA-N -1 3 360.143 0.516 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCCC[C@H]1CCOC1 ZINC001636739292 1282533375 /nfs/dbraw/zinc/53/33/75/1282533375.db2.gz PDQNUGGXLBITHY-VIFPVBQESA-N -1 3 360.208 0.644 10 0 FCAEHM C=CC(=O)NCc1ccc(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1 ZINC001636855210 1282542988 /nfs/dbraw/zinc/54/29/88/1282542988.db2.gz LVVOWFJKSMDCLL-HNNXBMFYSA-N -1 3 367.409 0.993 10 0 FCAEHM O=C(CNC(=O)c1cccc(O)c1)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001636855198 1282543443 /nfs/dbraw/zinc/54/34/43/1282543443.db2.gz LRLDQEQPWHHWGA-GFCCVEGCSA-N -1 3 357.370 0.013 10 0 FCAEHM CS(=O)(=O)c1ccc(NCC(=O)NCCCc2cc(=O)[nH][n-]2)cc1 ZINC001637042026 1282553506 /nfs/dbraw/zinc/55/35/06/1282553506.db2.gz WHHJONOCOTYUJT-UHFFFAOYSA-N -1 3 352.416 0.274 10 0 FCAEHM Cn1nnc(C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)c1C(F)(F)F ZINC001637052981 1282554021 /nfs/dbraw/zinc/55/40/21/1282554021.db2.gz JVKGCUFCCKCGIR-UHFFFAOYSA-N -1 3 370.291 0.982 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)C[C@H]3CCCS3(=O)=O)cc2n(C)c1=O ZINC001637052965 1282554657 /nfs/dbraw/zinc/55/46/57/1282554657.db2.gz JIGXTWGUWKNSQW-SECBINFHSA-N -1 3 353.400 0.488 10 0 FCAEHM O=C(CNC(=O)c1cc(F)cc(F)c1)N1CCC(Cc2nnn[n-]2)CC1 ZINC001637151951 1282568694 /nfs/dbraw/zinc/56/86/94/1282568694.db2.gz KKMONRPMXRQLCL-UHFFFAOYSA-N -1 3 364.356 0.689 10 0 FCAEHM O=C(CNC(=O)c1cc(F)cc(F)c1)N1CCC(Cc2nn[n-]n2)CC1 ZINC001637151951 1282568701 /nfs/dbraw/zinc/56/87/01/1282568701.db2.gz KKMONRPMXRQLCL-UHFFFAOYSA-N -1 3 364.356 0.689 10 0 FCAEHM COc1cccc(-n2cc(C(=O)N3CCC(Cc4nnn[n-]4)CC3)nn2)c1 ZINC001637151531 1282568787 /nfs/dbraw/zinc/56/87/87/1282568787.db2.gz HBKQQPSRYYGMOM-UHFFFAOYSA-N -1 3 368.401 0.884 10 0 FCAEHM COc1cccc(-n2cc(C(=O)N3CCC(Cc4nn[n-]n4)CC3)nn2)c1 ZINC001637151531 1282568797 /nfs/dbraw/zinc/56/87/97/1282568797.db2.gz HBKQQPSRYYGMOM-UHFFFAOYSA-N -1 3 368.401 0.884 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)CNC(=O)c3cccc(O)c3)CC2)n1 ZINC001638493270 1282701510 /nfs/dbraw/zinc/70/15/10/1282701510.db2.gz NTXDGDYMSKMDHJ-UHFFFAOYSA-N -1 3 371.397 0.275 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)[C@H]2C[C@@H](c3ccccc3)OC2=O)[n-]1 ZINC001638577553 1282706816 /nfs/dbraw/zinc/70/68/16/1282706816.db2.gz DELZWFVVVDEHBP-NEPJUHHUSA-N -1 3 358.354 0.902 10 0 FCAEHM CCOC(=O)c1nc(CNC(=O)[C@H]2C[C@@H](c3ccccc3)OC2=O)n[n-]1 ZINC001638577553 1282706819 /nfs/dbraw/zinc/70/68/19/1282706819.db2.gz DELZWFVVVDEHBP-NEPJUHHUSA-N -1 3 358.354 0.902 10 0 FCAEHM COC(=O)[C@@]1(C)CCCN(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)C1 ZINC001638868592 1282728486 /nfs/dbraw/zinc/72/84/86/1282728486.db2.gz JUTSYMFHLHGTTR-PXAZEXFGSA-N -1 3 363.418 0.746 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CCC(O)(C(F)F)CC1 ZINC001638865097 1282729395 /nfs/dbraw/zinc/72/93/95/1282729395.db2.gz GYZYRYPJINUMSI-JTQLQIEISA-N -1 3 357.361 0.563 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NC[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC001639025859 1282741807 /nfs/dbraw/zinc/74/18/07/1282741807.db2.gz CHZRWOLVYLENLK-RWMBFGLXSA-N -1 3 357.432 0.644 10 0 FCAEHM CCOC(OCC)[C@@H](C)NC(=O)C[N-]S(=O)(=O)c1c(C)noc1C ZINC001639138327 1282752315 /nfs/dbraw/zinc/75/23/15/1282752315.db2.gz CLLYGQOQAABDRU-SNVBAGLBSA-N -1 3 363.436 0.474 10 0 FCAEHM CN(C)S(=O)(=O)c1cccc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)c1 ZINC001639635754 1282799831 /nfs/dbraw/zinc/79/98/31/1282799831.db2.gz TYJIQAWCZLCVNO-LBPRGKRZSA-N -1 3 364.427 0.995 10 0 FCAEHM O=C(Cn1nc(-c2ccccc2)oc1=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001639635939 1282799889 /nfs/dbraw/zinc/79/98/89/1282799889.db2.gz XBALXFNYSQQYAT-GFCCVEGCSA-N -1 3 355.354 0.948 10 0 FCAEHM CS(C)(=O)=NC(=O)CNC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001639648916 1282801418 /nfs/dbraw/zinc/80/14/18/1282801418.db2.gz ZJROTNWZQZOZST-UHFFFAOYSA-N -1 3 357.338 0.790 10 0 FCAEHM CO[N-]C(=O)CNC(=O)CCN1CCN(c2cccc(Cl)c2)CC1 ZINC001639797131 1282815729 /nfs/dbraw/zinc/81/57/29/1282815729.db2.gz CSZSBSGQTBOIFM-UHFFFAOYSA-N -1 3 354.838 0.646 10 0 FCAEHM O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001640104473 1282838110 /nfs/dbraw/zinc/83/81/10/1282838110.db2.gz DHXXTMYPVGNBRS-UPJWGTAASA-N -1 3 373.413 0.052 10 0 FCAEHM COC(=O)c1ccc(C=CC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)o1 ZINC001640110240 1282839823 /nfs/dbraw/zinc/83/98/23/1282839823.db2.gz NPBPGQYEWZHFPN-USEMIUTHSA-N -1 3 358.354 0.970 10 0 FCAEHM CC(C)(C)OC(=O)NCCC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001640104646 1282840142 /nfs/dbraw/zinc/84/01/42/1282840142.db2.gz JQQBSBAPXBNUNE-LLVKDONJSA-N -1 3 351.407 0.792 10 0 FCAEHM Cc1cccc2c(=O)n(CCC(=O)NCCCc3c[n-][nH]c3=O)cnc12 ZINC001641484070 1282956020 /nfs/dbraw/zinc/95/60/20/1282956020.db2.gz XZZJTZUIIFUGTH-ZDUSSCGKSA-N -1 3 355.398 0.723 10 0 FCAEHM O=C(CNC(=O)c1ccc([O-])cc1)NCc1cnc(Br)cn1 ZINC001641560874 1282962826 /nfs/dbraw/zinc/96/28/26/1282962826.db2.gz WRLAKLCBFKZRHR-UHFFFAOYSA-N -1 3 365.187 0.991 10 0 FCAEHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCCCc1c[nH][nH]c1=O ZINC001642445392 1283010769 /nfs/dbraw/zinc/01/07/69/1283010769.db2.gz KUZKNQLEDFXQCY-CYBMUJFWSA-N -1 3 368.397 0.723 10 0 FCAEHM CCCC[C@H](CC)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1O ZINC001682341513 1283573692 /nfs/dbraw/zinc/57/36/92/1283573692.db2.gz CEAHYEYKIYZQGF-IACUBPJLSA-N -1 3 350.419 0.700 10 0 FCAEHM COCCCOCC(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1OC ZINC001683331013 1283945197 /nfs/dbraw/zinc/94/51/97/1283945197.db2.gz QZFWGDVINPKJCQ-GDBMZVCRSA-N -1 3 366.414 0.401 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CC[C@](O)(C(F)(F)F)C1 ZINC001684556212 1284199905 /nfs/dbraw/zinc/19/99/05/1284199905.db2.gz LUEGHYTVBXIMHJ-NOZJJQNGSA-N -1 3 361.324 0.470 10 0 FCAEHM O=C(NCCc1ccc(CO)cc1)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001684556032 1284200387 /nfs/dbraw/zinc/20/03/87/1284200387.db2.gz JFMTZYMKONSZFI-HNNXBMFYSA-N -1 3 357.414 0.795 10 0 FCAEHM CC[C@H](CC(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1O)C(C)(C)C ZINC001719115713 1287770694 /nfs/dbraw/zinc/77/06/94/1287770694.db2.gz RMILEGUQCREZNZ-MRVWCRGKSA-N -1 3 364.446 0.946 10 0 FCAEHM NC(=O)CC(=O)N[C@@H]1CC[C@H](CNC(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC001702542240 1285713944 /nfs/dbraw/zinc/71/39/44/1285713944.db2.gz NTMWHEMJAUPFGZ-NWDGAFQWSA-N -1 3 370.409 0.418 10 0 FCAEHM O=C(Cc1cnoc1)NCc1cc(=O)[n-]c(CNC(=O)[C@]23C[C@H]2CCC3)n1 ZINC001702604919 1285751537 /nfs/dbraw/zinc/75/15/37/1285751537.db2.gz ZIILIESTMUYBPQ-KZULUSFZSA-N -1 3 371.397 0.836 10 0 FCAEHM CC/C(C)=C/C(=O)N[C@@H]1CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C[C@@H]1O ZINC001735919840 1289028875 /nfs/dbraw/zinc/02/88/75/1289028875.db2.gz JHERGRMADVAOSP-BBVLPBNKSA-N -1 3 360.414 0.717 10 0 FCAEHM CC(=O)N(C)CC(=O)N1C[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@]2(C)C1 ZINC001702761264 1285837242 /nfs/dbraw/zinc/83/72/42/1285837242.db2.gz FNDCWNINPFAVOG-KUHUBIRLSA-N -1 3 359.426 0.791 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](CNC(=O)C[C@H]2CCOC2)[C@H](C)C1 ZINC001702817982 1285910898 /nfs/dbraw/zinc/91/08/98/1285910898.db2.gz HUDPSQTWTDFHLM-MRVWCRGKSA-N -1 3 362.430 0.742 10 0 FCAEHM C[C@@H]1CN(C(=O)c2csnn2)C[C@H]1CCNC(=O)c1cnc[n-]c1=O ZINC001702843645 1285937245 /nfs/dbraw/zinc/93/72/45/1285937245.db2.gz GJVJJVBVXXUBBT-NXEZZACHSA-N -1 3 362.415 0.562 10 0 FCAEHM O=C(NCC(F)F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccccc1[O-] ZINC001702936980 1286011441 /nfs/dbraw/zinc/01/14/41/1286011441.db2.gz VADWLHPFZBAKLF-USWWRNFRSA-N -1 3 367.352 0.635 10 0 FCAEHM C[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O)n1cccn1 ZINC001702952040 1286018746 /nfs/dbraw/zinc/01/87/46/1286018746.db2.gz ZQBQAUOJEKNMMM-NEBZKDRISA-N -1 3 370.413 0.892 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NCCCNC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001703417668 1286106892 /nfs/dbraw/zinc/10/68/92/1286106892.db2.gz WCBLZKREOSYFRB-UONOGXRCSA-N -1 3 355.398 0.925 10 0 FCAEHM O=C(NC[C@@H](NC(=O)[C@@H]1CCO[C@H]1C1CC1)C1CC1)c1cnc[n-]c1=O ZINC001703848252 1286153224 /nfs/dbraw/zinc/15/32/24/1286153224.db2.gz OMANWBAZEZTGCD-YUELXQCFSA-N -1 3 360.414 0.622 10 0 FCAEHM CCN(CCNC(=O)[C@@H]1C[C@H]1c1ccncc1)C(=O)c1cnc[n-]c1=O ZINC001704277777 1286210933 /nfs/dbraw/zinc/21/09/33/1286210933.db2.gz VMOPFLOXCBDWDO-UONOGXRCSA-N -1 3 355.398 0.959 10 0 FCAEHM CCO[C@H](C(=O)N1CC[C@@H](C)C[C@H]1CNCc1nc(=O)n(C)[n-]1)C1CC1 ZINC001707156243 1286479762 /nfs/dbraw/zinc/47/97/62/1286479762.db2.gz DMWRFAVDQBQTGE-INWMFGNUSA-N -1 3 365.478 0.640 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1NC(=O)C(=O)NCC(F)F ZINC001719183627 1287840729 /nfs/dbraw/zinc/84/07/29/1287840729.db2.gz UMCFEIBSYLHARK-MWLCHTKSSA-N -1 3 355.341 0.350 10 0 FCAEHM CO[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1NC(=O)C=Cc1ccc[nH]1 ZINC001719224407 1287895258 /nfs/dbraw/zinc/89/52/58/1287895258.db2.gz SSKIMKXXNSJFCT-QAMKJQMISA-N -1 3 371.397 0.488 10 0 FCAEHM CCCCC(=O)N1C[C@@H](NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)[C@@H](O)C1 ZINC001719294840 1288053741 /nfs/dbraw/zinc/05/37/41/1288053741.db2.gz ACYVXJOYMOIXKA-KGLIPLIRSA-N -1 3 359.382 0.062 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@H]1CC[C@@H](NC(=O)CC(C)(C)O)C1 ZINC001736117439 1289157303 /nfs/dbraw/zinc/15/73/03/1289157303.db2.gz CNARIZJMWVEJTQ-NWDGAFQWSA-N -1 3 350.419 0.666 10 0 FCAEHM CC[C@H](F)C(=O)NCc1nc(CNC(=O)[C@]23C[C@H]2COC3)cc(=O)[n-]1 ZINC001719522944 1288166280 /nfs/dbraw/zinc/16/62/80/1288166280.db2.gz BMLXYHFTDVDDTA-QEKSWQHZSA-N -1 3 352.366 0.199 10 0 FCAEHM O=C(CC1CC1)NCc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)n1 ZINC001719523859 1288167281 /nfs/dbraw/zinc/16/72/81/1288167281.db2.gz QLEGEFZNEKAKLB-MTVAPTMQSA-N -1 3 372.425 0.638 10 0 FCAEHM CC(C)(C)C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)n1 ZINC001719523983 1288167458 /nfs/dbraw/zinc/16/74/58/1288167458.db2.gz RXVMMMQPRXMDLQ-CRQFQMBKSA-N -1 3 374.441 0.884 10 0 FCAEHM Cn1cc([C@@H]2C[C@H]2C(=O)NCCCNC(=O)c2cccc3n[n-]nc32)cn1 ZINC001720284877 1288218690 /nfs/dbraw/zinc/21/86/90/1288218690.db2.gz POVBPISWNYOJGA-UONOGXRCSA-N -1 3 367.413 0.731 10 0 FCAEHM O=C(NC1(CNC(=O)[C@@H]2C[C@H]2c2cccnc2)CC1)c1cnc[n-]c1=O ZINC001722104790 1288406529 /nfs/dbraw/zinc/40/65/29/1288406529.db2.gz ILAMHGYIFQAEBJ-QWHCGFSZSA-N -1 3 353.382 0.760 10 0 FCAEHM Cn1[n-]c(CNC[C@H](NC(=O)[C@@H]2C[C@H]2C2CCOCC2)C2CC2)nc1=O ZINC001733179057 1288603532 /nfs/dbraw/zinc/60/35/32/1288603532.db2.gz VLADEFYAGQHLFT-ZNMIVQPWSA-N -1 3 363.462 0.156 10 0 FCAEHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)N(C)C(=O)c1cnc[n-]c1=O ZINC001734810904 1288678788 /nfs/dbraw/zinc/67/87/88/1288678788.db2.gz DHVQSNZZWYIGKW-QJPTWQEYSA-N -1 3 358.402 0.296 10 0 FCAEHM CN(C[C@@H](O)CNC(=O)c1cccc2n[n-]nc21)C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001735414478 1288733202 /nfs/dbraw/zinc/73/32/02/1288733202.db2.gz UMFVGBXPBQDRBD-YDHLFZDLSA-N -1 3 371.441 0.943 10 0 FCAEHM CCNC(=O)CC(=O)N1C[C@@H](C)[C@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC001735822690 1288929322 /nfs/dbraw/zinc/92/93/22/1288929322.db2.gz NSHHIRNHPQOGOU-ZWNOBZJWSA-N -1 3 358.402 0.061 10 0 FCAEHM CO[C@@H]1CN(C(=O)[C@@H](C)CC(C)C)C[C@H]1NC(=O)c1cnc[n-]c1=O ZINC001735883939 1288988283 /nfs/dbraw/zinc/98/82/83/1288988283.db2.gz SIHZQOIFGZZXKY-IACUBPJLSA-N -1 3 350.419 0.820 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1CCNC(=O)c1cnc[n-]c1=O ZINC001736412428 1289325874 /nfs/dbraw/zinc/32/58/74/1289325874.db2.gz XNZSCHKHASTEOU-DGCLKSJQSA-N -1 3 356.386 0.500 10 0 FCAEHM CC(=O)N(C)CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2ccccc2[O-])C1 ZINC001736595152 1289462323 /nfs/dbraw/zinc/46/23/23/1289462323.db2.gz QOPLJDNJNGBZEP-LIRRHRJNSA-N -1 3 359.426 0.981 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NCCCN(C)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001737195734 1289517282 /nfs/dbraw/zinc/51/72/82/1289517282.db2.gz MLNHPLOGTREDBX-HIFRSBDPSA-N -1 3 362.430 0.884 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(C(=O)NC[C@@H]2CCN2C2CCOCC2)cn1 ZINC001611212258 1289636870 /nfs/dbraw/zinc/63/68/70/1289636870.db2.gz OAQPAWZYNQGOAT-AWEZNQCLSA-N -1 3 368.459 0.436 10 0 FCAEHM CCCC[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccnn1C)NC(=O)c1cn[n-]n1 ZINC001701282056 1289648084 /nfs/dbraw/zinc/64/80/84/1289648084.db2.gz RKPFLTIVZDDJBS-JHJVBQTASA-N -1 3 359.434 0.747 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NC[C@@H]1C[C@H]1C1CCOCC1 ZINC001611626399 1289662682 /nfs/dbraw/zinc/66/26/82/1289662682.db2.gz HYJFOZSICHNLIG-KBPBESRZSA-N -1 3 371.459 0.749 10 0 FCAEHM C[C@@H](CN(C)C(=O)c1cc(=O)[n-]c(C2CC2)n1)NC(=O)[C@]12C[C@H]1COC2 ZINC001701630052 1289674756 /nfs/dbraw/zinc/67/47/56/1289674756.db2.gz LZHCMSNWMMXDHL-RSNWOKGLSA-N -1 3 360.414 0.673 10 0 FCAEHM O=C(N[C@@H](CO)CNC(=O)[C@@H]1C[C@H]1C1CC1)c1cc(=O)c2ccccc2[n-]1 ZINC001701688111 1289679831 /nfs/dbraw/zinc/67/98/31/1289679831.db2.gz ITBNFTTWIUEODV-VHDGCEQUSA-N -1 3 369.421 0.781 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)NC[C@H](CO)NC(=O)[C@]12C[C@H]1CCC2 ZINC001701700824 1289687217 /nfs/dbraw/zinc/68/72/17/1289687217.db2.gz IVKABQDAAFRMHB-SNUQEOBHSA-N -1 3 362.430 0.207 10 0 FCAEHM CN(C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1C1CCC1)C(=O)c1cnc[n-]c1=O ZINC001701856977 1289708141 /nfs/dbraw/zinc/70/81/41/1289708141.db2.gz JDUHJTMFTOSVRT-HZSPNIEDSA-N -1 3 362.430 0.510 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(Br)cc(N)c1N ZINC001615962320 1289766544 /nfs/dbraw/zinc/76/65/44/1289766544.db2.gz AILMJSWXXURYPF-MRVPVSSYSA-N -1 3 354.208 0.855 10 0 FCAEHM CC/C(C)=C/C(=O)N[C@@H]1CN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C[C@H]1O ZINC001702174681 1289783369 /nfs/dbraw/zinc/78/33/69/1289783369.db2.gz UVSOMQYOWCSIMV-ILJFBXALSA-N -1 3 371.393 0.228 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)[C@]2(N(C)C)COc3ccccc3C2)n[n-]1 ZINC001618404793 1289905306 /nfs/dbraw/zinc/90/53/06/1289905306.db2.gz SSPJBWNDQMWOMH-QGZVFWFLSA-N -1 3 359.386 0.394 10 0 FCAEHM CCOC(=O)c1cccc2[n-]c(NC(=O)Cn3ccc(=O)n(C)c3=O)nc21 ZINC001618773754 1289936399 /nfs/dbraw/zinc/93/63/99/1289936399.db2.gz WOGFQTRJASGZBO-UHFFFAOYSA-N -1 3 371.353 0.239 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(CCN3C(=O)NC4(CCCC4)C3=O)CC2)n1 ZINC001620587432 1290004115 /nfs/dbraw/zinc/00/41/15/1290004115.db2.gz GUBJCBSBIQTRNV-UHFFFAOYSA-N -1 3 374.445 0.477 10 0 FCAEHM COC(=O)[C@H]1CN(C)C(=O)CN1Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001620643836 1290013232 /nfs/dbraw/zinc/01/32/32/1290013232.db2.gz RNKLKWAVHWEMLC-CQSZACIVSA-N -1 3 356.382 0.665 10 0 FCAEHM CC[C@@H](F)C(=O)N[C@@H]1CN(C(=O)c2nnc3ccccc3c2[O-])C[C@@H]1O ZINC001702377838 1290165481 /nfs/dbraw/zinc/16/54/81/1290165481.db2.gz HOHGBQOBECZCKT-RTXFEEFZSA-N -1 3 362.361 0.385 10 0 FCAEHM CO[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1NC(=O)CCn1cccc1 ZINC001739588708 1290205039 /nfs/dbraw/zinc/20/50/39/1290205039.db2.gz GKHCTFZRDXBTSU-ZIAGYGMSSA-N -1 3 359.386 0.030 10 0 FCAEHM O=C(NCc1cccc(=O)[nH]1)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001623786455 1290237555 /nfs/dbraw/zinc/23/75/55/1290237555.db2.gz YJIKSQBWWVWGQQ-UHFFFAOYSA-N -1 3 356.313 0.905 10 0 FCAEHM O=C(NCc1cccc(=O)[nH]1)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001623786455 1290237560 /nfs/dbraw/zinc/23/75/60/1290237560.db2.gz YJIKSQBWWVWGQQ-UHFFFAOYSA-N -1 3 356.313 0.905 10 0 FCAEHM CCCNC(=O)CN1CCC(NC(=O)c2c(C)[nH]c(=O)[n-]c2=S)CC1 ZINC001624465542 1290274021 /nfs/dbraw/zinc/27/40/21/1290274021.db2.gz QNESCKBKHHQZBV-UHFFFAOYSA-N -1 3 367.475 0.500 10 0 FCAEHM O=C(CCn1cc[n-]c(=O)c1=O)NCCc1nnc(-c2ccccc2)[nH]1 ZINC001624836540 1290299595 /nfs/dbraw/zinc/29/95/95/1290299595.db2.gz OVHOBIWKJKACJL-UHFFFAOYSA-N -1 3 354.370 0.071 10 0 FCAEHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cn([C@@H]2CC[C@H]2O)nn1 ZINC001625088294 1290319415 /nfs/dbraw/zinc/31/94/15/1290319415.db2.gz GVRWCALGKSNPTO-CHWSQXEVSA-N -1 3 351.388 0.598 10 0 FCAEHM COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC001625147396 1290322387 /nfs/dbraw/zinc/32/23/87/1290322387.db2.gz AKVUDGKDXDLDFX-LBPRGKRZSA-N -1 3 366.418 0.997 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@]2(C)C[C@@H](O)CN2C)cc1OC ZINC001625195747 1290326003 /nfs/dbraw/zinc/32/60/03/1290326003.db2.gz IFIOLXQTWAGZEI-MLGOLLRUSA-N -1 3 371.459 0.850 10 0 FCAEHM CCCSCC(=O)N1CC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)[C@@H]2C1 ZINC001739715001 1290381841 /nfs/dbraw/zinc/38/18/41/1290381841.db2.gz XRLARHGPNVRNTG-DGCLKSJQSA-N -1 3 350.444 0.998 10 0 FCAEHM CCOCC(=O)N[C@@H]1CC[C@H](CNC(=O)CCc2c(C)nc[n-]c2=O)C1 ZINC001739892517 1290426013 /nfs/dbraw/zinc/42/60/13/1290426013.db2.gz VYCLFSQGFHWQEM-UONOGXRCSA-N -1 3 364.446 0.861 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H](CS(C)(=O)=O)c1ccccc1 ZINC001627153027 1290441898 /nfs/dbraw/zinc/44/18/98/1290441898.db2.gz MREOVCRXQIMLPL-UONOGXRCSA-N -1 3 351.428 0.443 10 0 FCAEHM CCO[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CNC(=O)C(C)(F)F ZINC001739938903 1290447268 /nfs/dbraw/zinc/44/72/68/1290447268.db2.gz MYRIZDMEROUCAC-MWLCHTKSSA-N -1 3 358.345 0.431 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NCc1nc(CNC(=O)C[C@H](C)OC)cc(=O)[n-]1 ZINC001739982378 1290458469 /nfs/dbraw/zinc/45/84/69/1290458469.db2.gz GVANPOWSUZNPHQ-DMDPSCGWSA-N -1 3 350.419 0.886 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NCc1nc(CNC(=O)[C@H](OC)C2CC2)cc(=O)[n-]1 ZINC001739983756 1290459034 /nfs/dbraw/zinc/45/90/34/1290459034.db2.gz UZYXZDMQTNKLMG-CKUKBARFSA-N -1 3 362.430 0.886 10 0 FCAEHM C[C@@H]1CN(C(=O)CCCCC(N)=O)C[C@H]1CNC(=O)c1cnc[n-]c1=O ZINC001740177478 1290508616 /nfs/dbraw/zinc/50/86/16/1290508616.db2.gz FEIWQKOMUSQWKQ-VXGBXAGGSA-N -1 3 363.418 0.052 10 0 FCAEHM C[C@@]1(c2cccc(C(=O)NCc3cc(=O)[n-]c(=S)[nH]3)c2)NC(=O)NC1=O ZINC001628258897 1290520297 /nfs/dbraw/zinc/52/02/97/1290520297.db2.gz HWFLBNKBBFDAOU-INIZCTEOSA-N -1 3 373.394 0.456 10 0 FCAEHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC001628259223 1290521333 /nfs/dbraw/zinc/52/13/33/1290521333.db2.gz RFZVGJQQKLWTFA-RQJHMYQMSA-N -1 3 350.322 0.402 10 0 FCAEHM CCO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O)C1CC1 ZINC001740357425 1290541147 /nfs/dbraw/zinc/54/11/47/1290541147.db2.gz BULCFKUROJIAIP-REBRKWNGSA-N -1 3 360.414 0.859 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)[C@@]2(Cc3ccccc3)CCN(C)C2=O)n[n-]1 ZINC001628596134 1290543051 /nfs/dbraw/zinc/54/30/51/1290543051.db2.gz RWAWBHNSPXIMKU-SFHVURJKSA-N -1 3 371.397 0.550 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCN(CC(=O)NC3CC3)CC2)c1 ZINC001628755714 1290554103 /nfs/dbraw/zinc/55/41/03/1290554103.db2.gz YIYNRJMLRASSFJ-UHFFFAOYSA-N -1 3 372.425 0.553 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)/C=C/c3ccc(C(N)=O)o3)cc2n(C)c1=O ZINC001629056999 1290573932 /nfs/dbraw/zinc/57/39/32/1290573932.db2.gz GYNMRLHIDMBLBF-GQCTYLIASA-N -1 3 356.338 0.926 10 0 FCAEHM Cc1c[nH]c(CC(N)=O)c1C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC001629054905 1290574633 /nfs/dbraw/zinc/57/46/33/1290574633.db2.gz VTNBLZZEDLJGIG-UHFFFAOYSA-N -1 3 357.370 0.499 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)c1 ZINC001629543122 1290606639 /nfs/dbraw/zinc/60/66/39/1290606639.db2.gz KMAROOXHZPKHGY-CYBMUJFWSA-N -1 3 372.381 0.625 10 0 FCAEHM Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)NCCCc1c[n-][nH]c1=O ZINC001630631498 1290683303 /nfs/dbraw/zinc/68/33/03/1290683303.db2.gz KHPNQIOOTYEPIN-GFCCVEGCSA-N -1 3 372.429 0.852 10 0 FCAEHM CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)NCCCc2c[n-][nH]c2=O)=NO1 ZINC001630632733 1290684500 /nfs/dbraw/zinc/68/45/00/1290684500.db2.gz XFMSPVDMRXOGRR-GHMZBOCLSA-N -1 3 367.406 0.284 10 0 FCAEHM COc1nnc(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)[n-]1 ZINC001630683855 1290688004 /nfs/dbraw/zinc/68/80/04/1290688004.db2.gz OPWQQQXMGQZJQQ-JQWIXIFHSA-N -1 3 363.349 0.095 10 0 FCAEHM COc1nc(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)n[n-]1 ZINC001630683855 1290688016 /nfs/dbraw/zinc/68/80/16/1290688016.db2.gz OPWQQQXMGQZJQQ-JQWIXIFHSA-N -1 3 363.349 0.095 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)n1 ZINC001630683855 1290688023 /nfs/dbraw/zinc/68/80/23/1290688023.db2.gz OPWQQQXMGQZJQQ-JQWIXIFHSA-N -1 3 363.349 0.095 10 0 FCAEHM CCN(CC)CCN(C(=O)c1ccc([O-])cn1)[C@H]1CCS(=O)(=O)C1 ZINC001630845606 1290705315 /nfs/dbraw/zinc/70/53/15/1290705315.db2.gz CAQXWCHAVWPEHR-ZDUSSCGKSA-N -1 3 355.460 0.758 10 0 FCAEHM CCn1c2ccc(C(=O)N3Cc4nc(C)[n-]c(=O)c4C3)cc2[nH]c(=O)c1=O ZINC001630893905 1290707613 /nfs/dbraw/zinc/70/76/13/1290707613.db2.gz ZDJQNBSWAFUCMA-UHFFFAOYSA-N -1 3 367.365 0.670 10 0 FCAEHM C[C@H](NC(N)=O)C(=O)N1C[C@H]2CN(C(=O)c3ccccc3[O-])C[C@@]2(C)C1 ZINC001757579621 1290786889 /nfs/dbraw/zinc/78/68/89/1290786889.db2.gz ABNJKZGMYWYVCR-OAVHHTNSSA-N -1 3 360.414 0.370 10 0 FCAEHM CN(CCCNC(=O)c1c[n-]c2ccccc2c1=O)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001758404604 1290833312 /nfs/dbraw/zinc/83/33/12/1290833312.db2.gz IVOWFCNZPWRENI-OLZOCXBDSA-N -1 3 370.409 0.228 10 0 FCAEHM COCCN1CCC[C@@H](NC(=O)c2nc[n-]c(=O)c2Br)C1 ZINC001643288843 1290871010 /nfs/dbraw/zinc/87/10/10/1290871010.db2.gz MVMRTOBTSXLTTP-SECBINFHSA-N -1 3 359.224 0.785 10 0 FCAEHM CC1CCC(NS(=O)(=O)CC(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)CC1 ZINC001644261372 1290950232 /nfs/dbraw/zinc/95/02/32/1290950232.db2.gz SLKDXSUNPYHDIM-CPCZMJQVSA-N -1 3 370.475 0.929 10 0 FCAEHM O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001644261240 1290950296 /nfs/dbraw/zinc/95/02/96/1290950296.db2.gz PSFKCHNKJBUVCD-JHJVBQTASA-N -1 3 360.414 0.997 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)c3cncc(-n4ccnn4)c3)CC2)n1 ZINC001644864104 1290989846 /nfs/dbraw/zinc/98/98/46/1290989846.db2.gz XSWJQIAVBDIDIF-UHFFFAOYSA-N -1 3 366.385 0.429 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)COCC(=O)OC(C)(C)C)CC2)n1 ZINC001645591348 1291037179 /nfs/dbraw/zinc/03/71/79/1291037179.db2.gz HOZUCVFSISDVLO-UHFFFAOYSA-N -1 3 366.418 0.498 10 0 FCAEHM NC(=O)C1CC2(C1)C[C@@H]([N-]C(=O)C(F)(F)C(F)F)CCS2(=O)=O ZINC001646221353 1291062689 /nfs/dbraw/zinc/06/26/89/1291062689.db2.gz GANHQMUQSDJOOL-KKOGVWMFSA-N -1 3 360.329 0.214 10 0 FCAEHM O=C(CNC(=O)N1CCc2ccccc2C1)NCCCc1c[n-][nH]c1=O ZINC001647858608 1291079729 /nfs/dbraw/zinc/07/97/29/1291079729.db2.gz JGFAPLZLJVOINZ-CQSZACIVSA-N -1 3 357.414 0.383 10 0 FCAEHM O=C(c1nc[n-]c(=O)c1Br)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001648403270 1291119904 /nfs/dbraw/zinc/11/99/04/1291119904.db2.gz WRIGTAHZMFDLTJ-ZJUUUORDSA-N -1 3 371.235 0.616 10 0 FCAEHM Cn1cc([C@@H]2C[C@H]2C(=O)NC[C@H](CO)NC(=O)c2ccccc2[O-])cn1 ZINC001649482133 1291154315 /nfs/dbraw/zinc/15/43/15/1291154315.db2.gz QWWVHIBJKPLLPN-VHDGCEQUSA-N -1 3 358.398 0.136 10 0 FCAEHM CO[C@@H]1CN(C(=O)C(C)(C)NC(C)=O)C[C@H]1NC(=O)c1ccccc1[O-] ZINC001649487899 1291162667 /nfs/dbraw/zinc/16/26/67/1291162667.db2.gz WLBVPWCCYCXMTD-UKRRQHHQSA-N -1 3 363.414 0.263 10 0 FCAEHM O=C(Nc1n[n-]c(SCCO)n1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC001650865065 1291182435 /nfs/dbraw/zinc/18/24/35/1291182435.db2.gz OUBZYKLKFVYFBJ-GFCCVEGCSA-N -1 3 361.427 0.876 10 0 FCAEHM O=C(CNC(=O)c1cccc2n[n-]nc21)NCC(=O)NCc1ccccc1 ZINC001651566699 1291228519 /nfs/dbraw/zinc/22/85/19/1291228519.db2.gz BSTSUBLGGJXGJU-UHFFFAOYSA-N -1 3 366.381 0.120 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CC[C@H](Nc3nc(N)nc(C(F)(F)F)n3)C2)n1 ZINC001652225575 1291268878 /nfs/dbraw/zinc/26/88/78/1291268878.db2.gz OFPKQTBDSXBQTP-ZETCQYMHSA-N -1 3 356.312 0.967 10 0 FCAEHM C[C@@H](CC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)NC(=O)C1CCCC1 ZINC001653312545 1291334056 /nfs/dbraw/zinc/33/40/56/1291334056.db2.gz LDINCSQKJQDESV-JSGCOSHPSA-N -1 3 361.446 0.962 10 0 FCAEHM CC(C)(C)OC(=O)NC1(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)CC1 ZINC001653312943 1291334354 /nfs/dbraw/zinc/33/43/54/1291334354.db2.gz QDBKHNLPGTTYCK-LLVKDONJSA-N -1 3 363.418 0.934 10 0 FCAEHM C[C@@H](CC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)NC(=O)C1CCCC1 ZINC001653312544 1291334490 /nfs/dbraw/zinc/33/44/90/1291334490.db2.gz LDINCSQKJQDESV-GXTWGEPZSA-N -1 3 361.446 0.962 10 0 FCAEHM CNC(=O)Nc1ccc(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1 ZINC001653312542 1291334599 /nfs/dbraw/zinc/33/45/99/1291334599.db2.gz LBVFRWNGBCTSPD-CYBMUJFWSA-N -1 3 356.386 0.942 10 0 FCAEHM NC(=O)c1ccc(OCC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1 ZINC001653313538 1291335719 /nfs/dbraw/zinc/33/57/19/1291335719.db2.gz UUEGRIXREBOFTA-GFCCVEGCSA-N -1 3 357.370 0.055 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)[C@@H]1CCCN1c1ncccn1 ZINC001653313919 1291336610 /nfs/dbraw/zinc/33/66/10/1291336610.db2.gz XRECGLHSENSAHZ-OLZOCXBDSA-N -1 3 355.402 0.336 10 0 FCAEHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1CCCC[C@H]1CCn1ccnn1 ZINC001653675628 1291362109 /nfs/dbraw/zinc/36/21/09/1291362109.db2.gz JWEHRSGYEXJJOD-ZDUSSCGKSA-N -1 3 353.390 0.938 10 0 FCAEHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1CCCC[C@H]1CCn1ccnn1 ZINC001653675628 1291362117 /nfs/dbraw/zinc/36/21/17/1291362117.db2.gz JWEHRSGYEXJJOD-ZDUSSCGKSA-N -1 3 353.390 0.938 10 0 FCAEHM C[C@@H](C(=O)NCC(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12)[C@H]1CCCO1 ZINC001654253523 1291402504 /nfs/dbraw/zinc/40/25/04/1291402504.db2.gz SMEUUNGTWYVIIB-BXKDBHETSA-N -1 3 360.370 0.911 10 0 FCAEHM O=C(CNC(=O)[C@@H]1CCO[C@H]1C1CC1)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC001654253341 1291402556 /nfs/dbraw/zinc/40/25/56/1291402556.db2.gz PVPOFSQCUVBBFK-ABAIWWIYSA-N -1 3 372.381 0.911 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)[C@@H]2CC(c3cccc(OC)c3)=NO2)[n-]1 ZINC001654490433 1291414701 /nfs/dbraw/zinc/41/47/01/1291414701.db2.gz RYDQWNJAXLAQFZ-ZDUSSCGKSA-N -1 3 373.369 0.799 10 0 FCAEHM Cn1c(=O)cc(NCC[N-]S(=O)(=O)c2ccc(Cl)s2)[nH]c1=O ZINC001655300719 1291463003 /nfs/dbraw/zinc/46/30/03/1291463003.db2.gz TXNXMMSBVJJIDM-UHFFFAOYSA-N -1 3 364.836 0.591 10 0 FCAEHM O=C(CN1CC[C@@H](c2nnn[n-]2)C1)NCc1ccc(OC(F)F)cc1 ZINC001659942889 1291646772 /nfs/dbraw/zinc/64/67/72/1291646772.db2.gz CDQROOIIMQHNRP-LLVKDONJSA-N -1 3 352.345 0.907 10 0 FCAEHM O=C(CN1CC[C@@H](c2nn[n-]n2)C1)NCc1ccc(OC(F)F)cc1 ZINC001659942889 1291646776 /nfs/dbraw/zinc/64/67/76/1291646776.db2.gz CDQROOIIMQHNRP-LLVKDONJSA-N -1 3 352.345 0.907 10 0 FCAEHM CC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1 ZINC001665982794 1291893472 /nfs/dbraw/zinc/89/34/72/1291893472.db2.gz SBCVMCQIIMZNEK-CYBMUJFWSA-N -1 3 362.411 0.942 10 0 FCAEHM O=C(NC[C@@H]1CCN1C1CCOCC1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001676337504 1292199687 /nfs/dbraw/zinc/19/96/87/1292199687.db2.gz FCQGVWICAPFBJO-JSGCOSHPSA-N -1 3 364.450 0.653 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC001685645762 1292581760 /nfs/dbraw/zinc/58/17/60/1292581760.db2.gz YTNSBQAMJWKSAV-JHJVBQTASA-N -1 3 360.418 0.214 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC001685645760 1292582337 /nfs/dbraw/zinc/58/23/37/1292582337.db2.gz YTNSBQAMJWKSAV-AGIUHOORSA-N -1 3 360.418 0.214 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](CNC(=O)[C@H](O)C(C)C)[C@H](C)C1 ZINC001685652540 1292584268 /nfs/dbraw/zinc/58/42/68/1292584268.db2.gz BYIDMRGEMDCFSA-MPKXVKKWSA-N -1 3 350.419 0.332 10 0 FCAEHM Cc1cncn1CC(=O)NC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001685718423 1292608386 /nfs/dbraw/zinc/60/83/86/1292608386.db2.gz JYXQYDILWXNUGX-DGCLKSJQSA-N -1 3 358.402 0.212 10 0 FCAEHM CC(=O)N[C@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3n[n-]nc31)C2 ZINC001686014036 1292731770 /nfs/dbraw/zinc/73/17/70/1292731770.db2.gz VEJIJTGGINYSNP-OLJUCXRQSA-N -1 3 370.413 0.344 10 0 FCAEHM O=C(CCCn1ccnn1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc[n-]c1=O)C2 ZINC001686192694 1292815532 /nfs/dbraw/zinc/81/55/32/1292815532.db2.gz JNWPJKXJQRYJAM-BNOWGMLFSA-N -1 3 371.401 0.116 10 0 FCAEHM CCN(C[C@@H](O)C(F)(F)F)C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001687790091 1293014434 /nfs/dbraw/zinc/01/44/34/1293014434.db2.gz UKUPRZROMIIGKN-NXEZZACHSA-N -1 3 363.340 0.716 10 0 FCAEHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C[C@@H]1CN2CCN1CCC2 ZINC000394675156 836063583 /nfs/dbraw/zinc/06/35/83/836063583.db2.gz RNDNQHAJNPLHFN-CYBMUJFWSA-N -1 3 371.434 0.281 10 0 FCAEHM COCCO[N-]C(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 ZINC000748773339 836325511 /nfs/dbraw/zinc/32/55/11/836325511.db2.gz AEHBZKFVQZURLD-GFCCVEGCSA-N -1 3 361.420 0.386 10 0 FCAEHM COCCO[N-]C(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 ZINC000748773340 836325891 /nfs/dbraw/zinc/32/58/91/836325891.db2.gz AEHBZKFVQZURLD-LBPRGKRZSA-N -1 3 361.420 0.386 10 0 FCAEHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@H](C)Cn1cncn1 ZINC000751076260 836465155 /nfs/dbraw/zinc/46/51/55/836465155.db2.gz UGLLKVAXDDHRHP-MRVPVSSYSA-N -1 3 359.795 0.480 10 0 FCAEHM O=C(NCc1nc(C(F)(F)F)n[n-]1)C(=O)N1CC(C2CCOCC2)C1 ZINC001117642027 847127847 /nfs/dbraw/zinc/12/78/47/847127847.db2.gz AQRVZNCOJVAVEL-UHFFFAOYSA-N -1 3 361.324 0.325 10 0 FCAEHM C[C@@H]1CN(c2nnc(-c3nnc(Cl)[n-]3)n2C[C@@H]2CCOC2)CCO1 ZINC001123235353 848580135 /nfs/dbraw/zinc/58/01/35/848580135.db2.gz GJXPZEWVYDBEFG-ZJUUUORDSA-N -1 3 353.814 0.978 10 0 FCAEHM C[C@@H]1CN(c2nnc(-c3n[n-]c(Cl)n3)n2C[C@@H]2CCOC2)CCO1 ZINC001123235353 848580139 /nfs/dbraw/zinc/58/01/39/848580139.db2.gz GJXPZEWVYDBEFG-ZJUUUORDSA-N -1 3 353.814 0.978 10 0 FCAEHM Cn1ncc(CCC(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)n1 ZINC001126924097 848713768 /nfs/dbraw/zinc/71/37/68/848713768.db2.gz OHZZNHPVCZKVFE-UHFFFAOYSA-N -1 3 355.395 0.575 10 0 FCAEHM Cn1ccc(=O)c(C(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)c1 ZINC001126924994 848713902 /nfs/dbraw/zinc/71/39/02/848713902.db2.gz ZCYFMRUVLKJBGQ-UHFFFAOYSA-N -1 3 353.375 0.826 10 0 FCAEHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@]3(F)CCS(=O)(=O)C3)nc21 ZINC001127417044 848720279 /nfs/dbraw/zinc/72/02/79/848720279.db2.gz PFXRPMDYHVFZIH-CQSZACIVSA-N -1 3 355.347 0.815 10 0 FCAEHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)[C@@H]1CCC(=O)N1C(C)C ZINC001128209917 848739525 /nfs/dbraw/zinc/73/95/25/848739525.db2.gz LLGYJDPLXKMMLM-JTQLQIEISA-N -1 3 351.359 0.926 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCCS(=O)(=O)NC(C)C)c1 ZINC001136432435 849221350 /nfs/dbraw/zinc/22/13/50/849221350.db2.gz QTMAHZJVTQFCGF-UHFFFAOYSA-N -1 3 355.416 0.574 10 0 FCAEHM CCS(=O)(=O)NCCNC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001136519128 849226125 /nfs/dbraw/zinc/22/61/25/849226125.db2.gz GSBKFETYNRIDJP-UHFFFAOYSA-N -1 3 359.354 0.475 10 0 FCAEHM Cn1cnn(CC(=O)Nc2ccc(I)cc2[O-])c1=O ZINC001138176461 849302088 /nfs/dbraw/zinc/30/20/88/849302088.db2.gz HCMDCFMHHQAXKZ-UHFFFAOYSA-N -1 3 374.138 0.531 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](CCC(C)(C)C)C(N)=O)c(C)o1 ZINC001139306522 849336034 /nfs/dbraw/zinc/33/60/34/849336034.db2.gz QIZYZNGNOQYUDH-NSHDSACASA-N -1 3 359.448 0.906 10 0 FCAEHM O=C(c1nc[n-]c(=O)c1Br)N1CCN(c2ncc[nH]2)CC1 ZINC001139589182 849341693 /nfs/dbraw/zinc/34/16/93/849341693.db2.gz BUYVYRSKJUNFCS-UHFFFAOYSA-N -1 3 353.180 0.630 10 0 FCAEHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)/C=C1/SCC(=O)N1C ZINC001140273122 849359168 /nfs/dbraw/zinc/35/91/68/849359168.db2.gz UTHYESJBKKFVKH-ANQXUQOXSA-N -1 3 364.427 0.913 10 0 FCAEHM CCNS(=O)(=O)c1ccc(C(=O)NCCCc2c[n-][nH]c2=O)cc1 ZINC001149263232 849634461 /nfs/dbraw/zinc/63/44/61/849634461.db2.gz SGAFBFCBYMXBFF-GFCCVEGCSA-N -1 3 352.416 0.227 10 0 FCAEHM CC(C)[C@H](C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1)N1CCCS1(=O)=O ZINC001164320400 850406194 /nfs/dbraw/zinc/40/61/94/850406194.db2.gz BHYZSNKPVPNUPB-SMDDNHRTSA-N -1 3 356.448 0.491 10 0 FCAEHM Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)[N-]c1nn2cnnc2s1 ZINC001171655480 850690944 /nfs/dbraw/zinc/69/09/44/850690944.db2.gz QQEHUIRCRQTECA-UHFFFAOYSA-N -1 3 356.364 0.533 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)N2CCN([S@@](C)(=N)=O)CC2)c([O-])c1 ZINC001177171795 850828996 /nfs/dbraw/zinc/82/89/96/850828996.db2.gz FMOBREPASRBXTP-RUZDIDTESA-N -1 3 368.459 0.556 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N[C@H](CO)C(F)(F)F ZINC001179893269 851003793 /nfs/dbraw/zinc/00/37/93/851003793.db2.gz GJMUCOLEDZDQCO-RXMQYKEDSA-N -1 3 366.770 0.719 10 0 FCAEHM Cc1nnc(COCC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)s1 ZINC001180027091 851010247 /nfs/dbraw/zinc/01/02/47/851010247.db2.gz CTXYYQDWUOMZDR-SNVBAGLBSA-N -1 3 350.404 0.254 10 0 FCAEHM O=C(CNC(=O)c1ccc([O-])cc1)NCC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001184226575 851295638 /nfs/dbraw/zinc/29/56/38/851295638.db2.gz XVQHLQSTBYPQBY-PHTAMDTFSA-N -1 3 366.439 0.594 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCC(O)(C2CCC2)CC1 ZINC001184393988 851304243 /nfs/dbraw/zinc/30/42/43/851304243.db2.gz RKALEGJPPREBOH-UHFFFAOYSA-N -1 3 371.459 0.723 10 0 FCAEHM NS(=O)(=O)NC[C@@H]1CCCN(Cc2nnc(-c3ccccc3[O-])o2)C1 ZINC001190700251 851946732 /nfs/dbraw/zinc/94/67/32/851946732.db2.gz WEQGDDCQXAXJQC-NSHDSACASA-N -1 3 367.431 0.447 10 0 FCAEHM O=C(NCc1nc(C(F)F)no1)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001255621504 858025343 /nfs/dbraw/zinc/02/53/43/858025343.db2.gz MGGUBUDWZFPBTI-SSDOTTSWSA-N -1 3 355.305 0.581 10 0 FCAEHM COC(=O)[C@H](C[C@H]1CCCOC1)NC(=O)CCc1c(C)nc[n-]c1=O ZINC001261842819 858683747 /nfs/dbraw/zinc/68/37/47/858683747.db2.gz LOOVHGIYRNFCHO-OCCSQVGLSA-N -1 3 351.403 0.898 10 0 FCAEHM CC(C)(C)C(=O)N1CSC[C@H]1C(=O)N1CCC(Cc2nnn[n-]2)CC1 ZINC001263899528 859230077 /nfs/dbraw/zinc/23/00/77/859230077.db2.gz FNGXAWCPYAEXAI-LBPRGKRZSA-N -1 3 366.491 0.928 10 0 FCAEHM CC(C)(C)C(=O)N1CSC[C@H]1C(=O)N1CCC(Cc2nn[n-]n2)CC1 ZINC001263899528 859230090 /nfs/dbraw/zinc/23/00/90/859230090.db2.gz FNGXAWCPYAEXAI-LBPRGKRZSA-N -1 3 366.491 0.928 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)NCC1(NCc2nc(=O)n(C)[n-]2)CCCC1 ZINC001268037203 859522842 /nfs/dbraw/zinc/52/28/42/859522842.db2.gz CETZSECSKMTAIT-OLZOCXBDSA-N -1 3 351.451 0.442 10 0 FCAEHM CCO[C@@H](C(=O)Nc1c(C(=O)OC)c[n-]c1C(=O)OC)[C@@H]1CCOC1 ZINC001269492187 859550168 /nfs/dbraw/zinc/55/01/68/859550168.db2.gz MSFLOYQWABHRPR-NOZJJQNGSA-N -1 3 354.359 0.968 10 0 FCAEHM CCO[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1O)C(C)C ZINC001281669729 863604584 /nfs/dbraw/zinc/60/45/84/863604584.db2.gz LDJCRSFGHLQPGX-FVQBIDKESA-N -1 3 350.415 0.755 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CN(C(=O)C[C@@H](C)C(C)C)C[C@H]1O ZINC001289163063 864959272 /nfs/dbraw/zinc/95/92/72/864959272.db2.gz JMGIKUBAOMREFV-RAIGVLPGSA-N -1 3 350.419 0.474 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CN(C(=O)C[C@H](C)C(C)C)C[C@@H]1O ZINC001289712182 865240369 /nfs/dbraw/zinc/24/03/69/865240369.db2.gz JMGIKUBAOMREFV-UHTWSYAYSA-N -1 3 350.419 0.474 10 0 FCAEHM COC(=O)CC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC001296831810 865992190 /nfs/dbraw/zinc/99/21/90/865992190.db2.gz IZCRQXNPOHQWDK-UHFFFAOYSA-N -1 3 352.771 0.437 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)[C@]3(C)CCCS3(=O)=O)cc2n(C)c1=O ZINC001298800146 866132258 /nfs/dbraw/zinc/13/22/58/866132258.db2.gz MOKCKPIFKZZIBW-HNNXBMFYSA-N -1 3 353.400 0.488 10 0 FCAEHM Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001300198378 866215228 /nfs/dbraw/zinc/21/52/28/866215228.db2.gz ZLDOZOLJSZSVSU-OAHLLOKOSA-N -1 3 350.400 0.008 10 0 FCAEHM O=C([C@@H]1CC(=O)N(CC(F)(F)F)C1)N1CCC(Cc2nnn[n-]2)CC1 ZINC001349106633 866235383 /nfs/dbraw/zinc/23/53/83/866235383.db2.gz BPXFSSQBJYGOSY-SNVBAGLBSA-N -1 3 360.340 0.392 10 0 FCAEHM O=C([C@@H]1CC(=O)N(CC(F)(F)F)C1)N1CCC(Cc2nn[n-]n2)CC1 ZINC001349106633 866235399 /nfs/dbraw/zinc/23/53/99/866235399.db2.gz BPXFSSQBJYGOSY-SNVBAGLBSA-N -1 3 360.340 0.392 10 0 FCAEHM CC(C)(C)OC(=O)NCc1cc(=O)[n-]c(CNC(=O)CCCCO)n1 ZINC001301139889 866251901 /nfs/dbraw/zinc/25/19/01/866251901.db2.gz FCYBWBKSUWTLPW-UHFFFAOYSA-N -1 3 354.407 0.986 10 0 FCAEHM CS(=O)(=O)Cc1nc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)co1 ZINC001301761646 866288075 /nfs/dbraw/zinc/28/80/75/866288075.db2.gz YHTYFPGFSRDREW-UHFFFAOYSA-N -1 3 366.399 0.912 10 0 FCAEHM CCOc1nnc(NC(=O)Cc2ccc(S(=O)(=O)N(C)C)cc2)[n-]1 ZINC001302692064 866348935 /nfs/dbraw/zinc/34/89/35/866348935.db2.gz CVCKKIWZYSIMCR-UHFFFAOYSA-N -1 3 353.404 0.635 10 0 FCAEHM CCOc1nc(NC(=O)Cc2ccc(S(=O)(=O)N(C)C)cc2)n[n-]1 ZINC001302692064 866348952 /nfs/dbraw/zinc/34/89/52/866348952.db2.gz CVCKKIWZYSIMCR-UHFFFAOYSA-N -1 3 353.404 0.635 10 0 FCAEHM CCOc1n[n-]c(NC(=O)Cc2ccc(S(=O)(=O)N(C)C)cc2)n1 ZINC001302692064 866348963 /nfs/dbraw/zinc/34/89/63/866348963.db2.gz CVCKKIWZYSIMCR-UHFFFAOYSA-N -1 3 353.404 0.635 10 0 FCAEHM COC(=O)C1(O)CN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)C1 ZINC001302877502 866361807 /nfs/dbraw/zinc/36/18/07/866361807.db2.gz LWACYANBPUFIBM-UHFFFAOYSA-N -1 3 362.791 0.071 10 0 FCAEHM Cc1cc(C2([N-]S(=O)(=O)CCCS(C)(=O)=O)CCOCC2)on1 ZINC001351434222 866860696 /nfs/dbraw/zinc/86/06/96/866860696.db2.gz RLCRGPDLPJDQLZ-UHFFFAOYSA-N -1 3 366.461 0.343 10 0 FCAEHM CNC(=O)[C@@H](NC(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O)C(C)C ZINC001320971575 868332596 /nfs/dbraw/zinc/33/25/96/868332596.db2.gz WBIBOYVFFNGFOF-ZDUSSCGKSA-N -1 3 374.438 0.767 10 0 FCAEHM COC1CCC(CNC(=O)C(=O)NCc2nc(C(F)(F)F)n[n-]2)CC1 ZINC001323674142 869304110 /nfs/dbraw/zinc/30/41/10/869304110.db2.gz IMXKHBQYIWDCEV-UHFFFAOYSA-N -1 3 363.340 0.761 10 0 FCAEHM CCOC(=O)N1CCC(NC(=O)CN2CC[C@@H](C)[C@@H](C(=O)[O-])C2)CC1 ZINC001327208798 870718233 /nfs/dbraw/zinc/71/82/33/870718233.db2.gz PNHSUBYCNBIPOT-OCCSQVGLSA-N -1 3 355.435 0.766 10 0 FCAEHM CCOC(=O)N1CCC(NC(=O)CN2CC[C@@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC001327208800 870718364 /nfs/dbraw/zinc/71/83/64/870718364.db2.gz PNHSUBYCNBIPOT-TZMCWYRMSA-N -1 3 355.435 0.766 10 0 FCAEHM COCC(C)(C)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001344295422 870812564 /nfs/dbraw/zinc/81/25/64/870812564.db2.gz NIJMPOPBROFENX-NWDGAFQWSA-N -1 3 350.419 0.870 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)C3CCS(=O)(=O)CC3)cc2n(C)c1=O ZINC001327617834 870974008 /nfs/dbraw/zinc/97/40/08/870974008.db2.gz WXPVZKYZWQZOBT-UHFFFAOYSA-N -1 3 353.400 0.346 10 0 FCAEHM CO[C@@H](C)C(=O)N[C@H]1CCN(C(=O)CCc2c(C)nc[n-]c2=O)[C@@H]1C ZINC001345258047 871252295 /nfs/dbraw/zinc/25/22/95/871252295.db2.gz IBVZFAQZYUQNNQ-DYEKYZERSA-N -1 3 350.419 0.564 10 0 FCAEHM Cc1nc(C)c(CC(=O)NCCS(=O)(=O)CC(F)(F)F)c(=O)[n-]1 ZINC001328476172 871452596 /nfs/dbraw/zinc/45/25/96/871452596.db2.gz FCJCYFBPOBRXGC-UHFFFAOYSA-N -1 3 355.338 0.435 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@H]2C[C@H](C)n3ncnc32)on1 ZINC001329792018 872260869 /nfs/dbraw/zinc/26/08/69/872260869.db2.gz HIRFROBKKOEIIB-WPRPVWTQSA-N -1 3 355.376 0.568 10 0 FCAEHM COC(=O)[C@H](Cn1cncn1)[N-]C(=O)C(F)(F)c1ccccc1OC ZINC001347467738 872347995 /nfs/dbraw/zinc/34/79/95/872347995.db2.gz UVDGJSYUJUENRA-NSHDSACASA-N -1 3 354.313 0.737 10 0 FCAEHM COC1(CS(=O)(=O)[N-]Cc2nc(CN(C)C)cs2)CCOCC1 ZINC001332336521 873462359 /nfs/dbraw/zinc/46/23/59/873462359.db2.gz ITGSUUKKZBXSDE-UHFFFAOYSA-N -1 3 363.505 0.820 10 0 FCAEHM O=C([O-])c1ccc(S(=O)(=O)N2CCC(N3CC[C@H](O)C3)CC2)c(F)c1 ZINC001332898396 873705386 /nfs/dbraw/zinc/70/53/86/873705386.db2.gz ORULUFQRQSZYOW-ZDUSSCGKSA-N -1 3 372.418 0.744 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C(C)C)[C@@H]1CCOC1 ZINC000292233085 214087255 /nfs/dbraw/zinc/08/72/55/214087255.db2.gz UHLQLKJJXSRIBQ-GFCCVEGCSA-N -1 3 362.473 0.783 10 0 FCAEHM C[C@H](O)[C@H]([N-]S(=O)(=O)c1cn(C)cn1)C(=O)OCc1ccccc1 ZINC000292862817 214128180 /nfs/dbraw/zinc/12/81/80/214128180.db2.gz BHOOAPWUYGBPTF-FZMZJTMJSA-N -1 3 353.400 0.191 10 0 FCAEHM CO[C@@H]1COCC[C@H]1CC(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000295243909 214286792 /nfs/dbraw/zinc/28/67/92/214286792.db2.gz GHFKGKOBVBSDRS-NWDGAFQWSA-N -1 3 362.473 0.584 10 0 FCAEHM CC[C@H](NC(=O)C[N-]S(=O)(=O)c1ccccc1F)[C@H](O)C(F)F ZINC000295370399 214293476 /nfs/dbraw/zinc/29/34/76/214293476.db2.gz DLEOMDRJPMJPOI-CABZTGNLSA-N -1 3 354.350 0.625 10 0 FCAEHM CCOC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCCNC2=O)c(F)cc1C ZINC000295850447 214321145 /nfs/dbraw/zinc/32/11/45/214321145.db2.gz XCNHZKZPCLJSSP-LBPRGKRZSA-N -1 3 358.391 0.868 10 0 FCAEHM Cn1ncnc1[N-]C(=O)C(=O)N1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000296719615 214361150 /nfs/dbraw/zinc/36/11/50/214361150.db2.gz CCDTZIPKGKROQZ-UHFFFAOYSA-N -1 3 372.404 0.946 10 0 FCAEHM COc1ccc(S(=O)(=O)N2C[C@H](C)[C@@H]2C)cc1[C@@]1(C)NC(=O)[N-]C1=O ZINC000297256909 214389751 /nfs/dbraw/zinc/38/97/51/214389751.db2.gz YMNDMBKAZYJYDO-XQJJYNOISA-N -1 3 367.427 0.779 10 0 FCAEHM COCCN1C[C@H](C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)CC1=O ZINC000291502739 214038827 /nfs/dbraw/zinc/03/88/27/214038827.db2.gz HUKJOXGYLBAFOM-SNVBAGLBSA-N -1 3 362.386 0.016 10 0 FCAEHM CCOC(=O)CC[C@@H](C)NC(=O)C[N-]S(=O)(=O)c1ccccc1F ZINC000291502283 214038201 /nfs/dbraw/zinc/03/82/01/214038201.db2.gz SGWQGDMPCQKMTF-LLVKDONJSA-N -1 3 360.407 0.952 10 0 FCAEHM Cc1cc(CS(=O)(=O)[N-]C[C@H](O)COc2ccc3c(c2)OCO3)no1 ZINC000265740633 210211875 /nfs/dbraw/zinc/21/18/75/210211875.db2.gz BYQZSJZMWXKDCO-LBPRGKRZSA-N -1 3 370.383 0.571 10 0 FCAEHM CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)CN1CC(=O)[N-]C1=O ZINC000265680248 210195279 /nfs/dbraw/zinc/19/52/79/210195279.db2.gz SXMDUMVINVEKSD-UHFFFAOYSA-N -1 3 356.423 0.738 10 0 FCAEHM Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CN2CC(=O)[N-]C2=O)cc1 ZINC000265669905 210192988 /nfs/dbraw/zinc/19/29/88/210192988.db2.gz QZZWHKVLLJTPNW-LBPRGKRZSA-N -1 3 362.411 0.387 10 0 FCAEHM COc1ccc2c(c1)[n-]cc(C(=O)N1CCO[C@H](CNC(C)=O)C1)c2=O ZINC000265397676 210121233 /nfs/dbraw/zinc/12/12/33/210121233.db2.gz PGDIXNOBWONEPE-CYBMUJFWSA-N -1 3 359.382 0.926 10 0 FCAEHM Cc1nccc(N2CCN(C(=O)NCc3nnc(C(F)(F)F)[n-]3)CC2)n1 ZINC000331883860 215061869 /nfs/dbraw/zinc/06/18/69/215061869.db2.gz QMVQCAKPRDLNFP-UHFFFAOYSA-N -1 3 370.339 0.954 10 0 FCAEHM Cc1nccc(N2CCN(C(=O)NCc3n[n-]c(C(F)(F)F)n3)CC2)n1 ZINC000331883860 215061871 /nfs/dbraw/zinc/06/18/71/215061871.db2.gz QMVQCAKPRDLNFP-UHFFFAOYSA-N -1 3 370.339 0.954 10 0 FCAEHM Cc1nccc(N2CCN(C(=O)NCc3nc(C(F)(F)F)n[n-]3)CC2)n1 ZINC000331883860 215061875 /nfs/dbraw/zinc/06/18/75/215061875.db2.gz QMVQCAKPRDLNFP-UHFFFAOYSA-N -1 3 370.339 0.954 10 0 FCAEHM CCOC(=O)C[C@H](NC(=O)CN1CC(=O)[N-]C1=O)c1ccc(F)cc1 ZINC000264909298 210011948 /nfs/dbraw/zinc/01/19/48/210011948.db2.gz ZAHIOIVARSLMGV-LBPRGKRZSA-N -1 3 351.334 0.488 10 0 FCAEHM Cc1nn(C)c(C)c1[C@H]1[C@H]([N-]S(=O)(=O)[C@H]2CCO[C@H]2C)CC(=O)N1C ZINC000333099440 215235585 /nfs/dbraw/zinc/23/55/85/215235585.db2.gz PRQOIWHZBNPTAG-RSUWNVLCSA-N -1 3 370.475 0.406 10 0 FCAEHM Cn1c(=O)cc(C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c2ccccc21 ZINC000333371575 215271416 /nfs/dbraw/zinc/27/14/16/215271416.db2.gz ZQJKWVPKFWTLHA-GOSISDBHSA-N -1 3 354.366 0.353 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](CO)C[C@@H](O)C(C)(C)C)c(C)o1 ZINC000285681400 213377933 /nfs/dbraw/zinc/37/79/33/213377933.db2.gz BKXNNMYRFNJUEX-ZYHUDNBSSA-N -1 3 362.448 0.384 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)C1(N2CCOCC2)CCC1 ZINC000360718642 215368965 /nfs/dbraw/zinc/36/89/65/215368965.db2.gz YKGGBWOJFOMWTR-UHFFFAOYSA-N -1 3 373.500 0.398 10 0 FCAEHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](CO)C[C@H](O)C(C)(C)C ZINC000284721491 213205283 /nfs/dbraw/zinc/20/52/83/213205283.db2.gz RKWUAJMHQHAMCW-KOLCDFICSA-N -1 3 365.473 0.971 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)N2CC(C)C2)cc1OC ZINC000412022958 237142932 /nfs/dbraw/zinc/14/29/32/237142932.db2.gz VYPMDBBWESSXKY-UHFFFAOYSA-N -1 3 355.416 0.874 10 0 FCAEHM C[C@@H](O)[C@@H]1CN(C(=O)CC[N-]S(=O)(=O)c2ccccc2F)CCO1 ZINC000412908690 237252288 /nfs/dbraw/zinc/25/22/88/237252288.db2.gz DGSBZMPTACYUHJ-YPMHNXCESA-N -1 3 360.407 0.102 10 0 FCAEHM O=C(CC[C@@H]1NC(=O)[N-]C1=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000246217685 209381763 /nfs/dbraw/zinc/38/17/63/209381763.db2.gz URMFBNKPNIXTBD-CABZTGNLSA-N -1 3 352.341 0.648 10 0 FCAEHM COc1cnc(-c2cnccn2)c2[n-]cc(C(=O)C(=O)N3CCNCC3)c21 ZINC000146084632 209381469 /nfs/dbraw/zinc/38/14/69/209381469.db2.gz DDIHIPUUFYHYMX-UHFFFAOYSA-N -1 3 366.381 0.643 10 0 FCAEHM Cc1c(C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cnn1-c1ccccc1 ZINC000195021754 209331856 /nfs/dbraw/zinc/33/18/56/209331856.db2.gz RCUKOYZEXZMGLT-SFHVURJKSA-N -1 3 353.382 0.995 10 0 FCAEHM C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])C(=O)NCCF ZINC000368525904 216258599 /nfs/dbraw/zinc/25/85/99/216258599.db2.gz GKLPPMOMKKKPJD-DGCLKSJQSA-N -1 3 351.378 0.587 10 0 FCAEHM C[C@H]1Oc2ccccc2N(CC(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)C1=O ZINC000279547092 212563850 /nfs/dbraw/zinc/56/38/50/212563850.db2.gz RCMKVNMOBPVVII-ZMZPIMSZSA-N -1 3 372.381 0.001 10 0 FCAEHM Cc1sc2[nH]c(CN3CCC[C@@]4(C3)NC(=O)[N-]C4=O)nc(=O)c2c1C ZINC000192683898 209302092 /nfs/dbraw/zinc/30/20/92/209302092.db2.gz ONQHWVBRDKEXCC-INIZCTEOSA-N -1 3 361.427 0.775 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(S(=O)(=O)N3CCC[C@H]3C)CC2)n[n-]1 ZINC000368941307 216321506 /nfs/dbraw/zinc/32/15/06/216321506.db2.gz ZSMSIVOIUKBIOA-LLVKDONJSA-N -1 3 371.463 0.890 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(S(=O)(=O)N3CCC[C@H]3C)CC2)[n-]1 ZINC000368941307 216321510 /nfs/dbraw/zinc/32/15/10/216321510.db2.gz ZSMSIVOIUKBIOA-LLVKDONJSA-N -1 3 371.463 0.890 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-][C@H]2CCN(Cc3ccc(F)cc3)C2=O)cn1C ZINC000190591300 209274168 /nfs/dbraw/zinc/27/41/68/209274168.db2.gz JSYAHUYLFPHKFG-AWEZNQCLSA-N -1 3 366.418 0.947 10 0 FCAEHM COC(=O)NCCc1ccc(S(=O)(=O)[N-]Cc2cnn(C)c2)s1 ZINC000276481710 212239294 /nfs/dbraw/zinc/23/92/94/212239294.db2.gz LQQFWQOWDSHBTA-UHFFFAOYSA-N -1 3 358.445 0.859 10 0 FCAEHM COC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H]2CC(=O)N(C)C2)s1 ZINC000276502904 212244215 /nfs/dbraw/zinc/24/42/15/212244215.db2.gz PUVWTVXGCMZTIR-SECBINFHSA-N -1 3 361.445 0.156 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCN(c2cncc3ccccc32)CC1 ZINC000276441204 212233886 /nfs/dbraw/zinc/23/38/86/212233886.db2.gz FKADAXALDZHDSU-UHFFFAOYSA-N -1 3 353.382 0.435 10 0 FCAEHM COC(=O)NCCc1ccc(S(=O)(=O)[N-]C[C@@H](C)CCO)s1 ZINC000276293999 212206147 /nfs/dbraw/zinc/20/61/47/212206147.db2.gz ZFZJKXWCXXSSIQ-JTQLQIEISA-N -1 3 350.462 0.943 10 0 FCAEHM COC(=O)NCCc1ccc(S(=O)(=O)[N-]C2(C(=O)OC)CC2)s1 ZINC000276271174 212200674 /nfs/dbraw/zinc/20/06/74/212200674.db2.gz UYPASVBKBNQDSF-UHFFFAOYSA-N -1 3 362.429 0.631 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(C)[C@H]1CCN(C)C1=O ZINC000276177275 212178488 /nfs/dbraw/zinc/17/84/88/212178488.db2.gz XBTWJDQXYNLEMO-JTQLQIEISA-N -1 3 367.427 0.861 10 0 FCAEHM COC[C@@H](O)CC[N-]S(=O)(=O)c1ccc(CCNC(=O)OC)s1 ZINC000276155591 212173331 /nfs/dbraw/zinc/17/33/31/212173331.db2.gz AEKGVUNRLDIFLY-JTQLQIEISA-N -1 3 366.461 0.322 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNS(=O)(=O)[C@H]2CCO[C@H]2C)s1 ZINC000276056830 212149497 /nfs/dbraw/zinc/14/94/97/212149497.db2.gz PLKYBLFMSGONSU-WPRPVWTQSA-N -1 3 354.475 0.253 10 0 FCAEHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@]1(C(=O)OC)CCOC1 ZINC000275996890 212136823 /nfs/dbraw/zinc/13/68/23/212136823.db2.gz HGXDXIZNRGWAAR-ZDUSSCGKSA-N -1 3 363.413 0.454 10 0 FCAEHM CO[C@@H]1CN(S(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)CC[C@H]1C ZINC000275867921 212106924 /nfs/dbraw/zinc/10/69/24/212106924.db2.gz JPSSKALLBOQEBX-BXKDBHETSA-N -1 3 368.415 0.080 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]C[C@H]2CCC3(CCOCC3)[C@H]2O)nc1Cl ZINC000374736249 217164885 /nfs/dbraw/zinc/16/48/85/217164885.db2.gz MKUOMLVTXBSTIC-PWSUYJOCSA-N -1 3 363.867 0.920 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000274600974 211879340 /nfs/dbraw/zinc/87/93/40/211879340.db2.gz DTUMEAYXUDPGGN-GFCCVEGCSA-N -1 3 355.753 0.931 10 0 FCAEHM COCCCS(=O)(=O)[N-]CC(=O)Nc1cccc2c1OCC[C@@H]2O ZINC000375098115 217218121 /nfs/dbraw/zinc/21/81/21/217218121.db2.gz FWNNXFPVXVAQCG-ZDUSSCGKSA-N -1 3 358.416 0.397 10 0 FCAEHM CCOC(=O)Cn1cnc([N-]C(=O)c2cnc(-c3cnn(C)c3)s2)n1 ZINC000425110145 247295361 /nfs/dbraw/zinc/29/53/61/247295361.db2.gz VAADMMSVRQTKFG-UHFFFAOYSA-N -1 3 361.387 0.951 10 0 FCAEHM O=C1[C@@H]([N-]S(=O)(=O)CCOCC2CC2)CCCN1c1cccnc1 ZINC000425170801 247300113 /nfs/dbraw/zinc/30/01/13/247300113.db2.gz OIUMOKXRAJLXTA-HNNXBMFYSA-N -1 3 353.444 0.923 10 0 FCAEHM COC(=O)c1cnc([C@H](C)[N-]S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)s1 ZINC000425191253 247303155 /nfs/dbraw/zinc/30/31/55/247303155.db2.gz VJIUTTPKWUZBQM-BBBLOLIVSA-N -1 3 363.461 0.934 10 0 FCAEHM O=C(Cc1ccc(Br)cc1[O-])N[C@H](CO)CN1CCOCC1 ZINC000425298261 247319123 /nfs/dbraw/zinc/31/91/23/247319123.db2.gz WIQZOKILWPMVGQ-ZDUSSCGKSA-N -1 3 373.247 0.507 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCC(=O)NCc2ccco2)c(C)o1 ZINC000434203986 247904934 /nfs/dbraw/zinc/90/49/34/247904934.db2.gz DQTDZCHDABMDHE-UHFFFAOYSA-N -1 3 355.372 0.135 10 0 FCAEHM Cn1ccc(=O)n(CCCNC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c1=O ZINC000436575205 248043199 /nfs/dbraw/zinc/04/31/99/248043199.db2.gz IAXAXXOMZVBEEL-UHFFFAOYSA-N -1 3 373.409 0.786 10 0 FCAEHM Cc1cc(N2CCN(C(=O)c3c([O-])cccc3O)CC2)n2ncnc2n1 ZINC000436650302 248045662 /nfs/dbraw/zinc/04/56/62/248045662.db2.gz YPMDQALPIZFVMZ-UHFFFAOYSA-N -1 3 354.370 0.806 10 0 FCAEHM Cc1ccc([C@@H](NC(=O)C[C@@H]2NC(=O)[N-]C2=O)[C@H](C)S(C)(=O)=O)cc1 ZINC000437854235 248070786 /nfs/dbraw/zinc/07/07/86/248070786.db2.gz UEMPZZHJQHVDCY-JKOKRWQUSA-N -1 3 367.427 0.184 10 0 FCAEHM Cc1cc(O)cc(=O)n1CCC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000437857844 248070827 /nfs/dbraw/zinc/07/08/27/248070827.db2.gz AYGKKMBPZQDZBQ-UHFFFAOYSA-N -1 3 354.370 0.749 10 0 FCAEHM Cc1cc(O)cc(=O)n1CCC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000437857844 248070831 /nfs/dbraw/zinc/07/08/31/248070831.db2.gz AYGKKMBPZQDZBQ-UHFFFAOYSA-N -1 3 354.370 0.749 10 0 FCAEHM Cn1cc(C(N)=O)cc1C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436888994 248053716 /nfs/dbraw/zinc/05/37/16/248053716.db2.gz WUYLXTLCUAMITO-UHFFFAOYSA-N -1 3 356.382 0.428 10 0 FCAEHM NS(=O)(=O)CCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436994489 248057293 /nfs/dbraw/zinc/05/72/93/248057293.db2.gz DADJCGXUPYLIAW-ZDUSSCGKSA-N -1 3 369.443 0.182 10 0 FCAEHM COC(=O)CC1(NC(=O)c2cccc(OC)c2[O-])CCS(=O)(=O)CC1 ZINC000439368673 248124205 /nfs/dbraw/zinc/12/42/05/248124205.db2.gz DJKDOMQIHHOMJM-UHFFFAOYSA-N -1 3 371.411 0.641 10 0 FCAEHM CCN(Cc1cn(C)nn1)C(=O)C(=O)[N-]c1sccc1C(=O)OC ZINC000441638510 248258065 /nfs/dbraw/zinc/25/80/65/248258065.db2.gz XOSHYLUENWVEAZ-UHFFFAOYSA-N -1 3 351.388 0.650 10 0 FCAEHM CN(Cc1cc[nH]n1)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000442591868 248292310 /nfs/dbraw/zinc/29/23/10/248292310.db2.gz BNZWSOUPSSOLAH-UHFFFAOYSA-N -1 3 373.385 0.808 10 0 FCAEHM Cn1cc([C@@H](CO)[N-]S(=O)(=O)c2ccccc2Cn2ccnc2)cn1 ZINC000443021270 248303471 /nfs/dbraw/zinc/30/34/71/248303471.db2.gz DFSBWBZKBICERE-OAHLLOKOSA-N -1 3 361.427 0.677 10 0 FCAEHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C1CCC(C(N)=O)CC1 ZINC000443074404 248305714 /nfs/dbraw/zinc/30/57/14/248305714.db2.gz XNWMUMMLTBFRBC-UHFFFAOYSA-N -1 3 358.391 0.935 10 0 FCAEHM C[S@](=O)C1(C[N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)CC1 ZINC000443077259 248306023 /nfs/dbraw/zinc/30/60/23/248306023.db2.gz JCYNIHXMXKFORG-IBGZPJMESA-N -1 3 351.471 0.280 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@H](O)C1CCOCC1 ZINC000443277336 248319017 /nfs/dbraw/zinc/31/90/17/248319017.db2.gz NKSWBMRQSAIQPO-LBPRGKRZSA-N -1 3 363.457 0.156 10 0 FCAEHM COCC[C@](C)(O)C[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000443291410 248319905 /nfs/dbraw/zinc/31/99/05/248319905.db2.gz AHEBWKWXCIJDBH-ZDUSSCGKSA-N -1 3 351.446 0.156 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC1(CC(N)=O)CCC1 ZINC000443801129 248341234 /nfs/dbraw/zinc/34/12/34/248341234.db2.gz PKMVCDTYIGFFIO-JTQLQIEISA-N -1 3 357.407 0.407 10 0 FCAEHM Cn1cc(C(N)=O)cc1C(=O)NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000446161870 248383526 /nfs/dbraw/zinc/38/35/26/248383526.db2.gz LRKHRQKPKDTIQE-GOSISDBHSA-N -1 3 369.381 0.109 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)N1CC[C@@](O)(C(F)F)C1 ZINC000452670349 249326735 /nfs/dbraw/zinc/32/67/35/249326735.db2.gz OFMDJRRDZVJLJF-ZDUSSCGKSA-N -1 3 352.334 0.333 10 0 FCAEHM CCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)C[C@@H]1NC(=O)[N-]C1=O)C1CC1 ZINC000271368819 211388579 /nfs/dbraw/zinc/38/85/79/211388579.db2.gz BJDXCSUTTYKUCN-LSDHHAIUSA-N -1 3 373.409 0.750 10 0 FCAEHM CN1C(=O)C[C@@H](NC(=O)C[C@@H]2NC(=O)[N-]C2=O)[C@H]1c1ccc(Cl)cc1 ZINC000271087944 211331217 /nfs/dbraw/zinc/33/12/17/211331217.db2.gz DVEXHOJSCHMIFU-UHIISALHSA-N -1 3 364.789 0.326 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000270926631 211301537 /nfs/dbraw/zinc/30/15/37/211301537.db2.gz KUHZHWMUENXYGK-QWRGUYRKSA-N -1 3 368.752 0.299 10 0 FCAEHM CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000270824118 211277372 /nfs/dbraw/zinc/27/73/72/211277372.db2.gz QWXFMJMDJUFBER-QMMMGPOBSA-N -1 3 371.296 0.573 10 0 FCAEHM CC[C@H]1Oc2cc([C@H](C)NC(=O)C[C@@H]3NC(=O)[N-]C3=O)ccc2NC1=O ZINC000270813856 211273707 /nfs/dbraw/zinc/27/37/07/211273707.db2.gz OYHDDAGFQZHVMI-KPXOXKRLSA-N -1 3 360.370 0.571 10 0 FCAEHM C[C@@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000270725974 211254815 /nfs/dbraw/zinc/25/48/15/211254815.db2.gz SOJDIAJKWSTDGJ-RISCZKNCSA-N -1 3 373.413 0.328 10 0 FCAEHM Cc1ccc([C@@H](CNC(=O)C[C@@H]2NC(=O)[N-]C2=O)N2CCOCC2)cc1 ZINC000270714167 211253074 /nfs/dbraw/zinc/25/30/74/211253074.db2.gz LRBUGGYKUSQIJP-LSDHHAIUSA-N -1 3 360.414 0.083 10 0 FCAEHM Cc1cccc(Cn2[n-]cc/c2=N\C(=O)CN2CC[C@H](NC(N)=O)C2)c1 ZINC000270623468 211235320 /nfs/dbraw/zinc/23/53/20/211235320.db2.gz KIMKCRHHPFWXPF-QIIGAIICSA-N -1 3 356.430 0.343 10 0 FCAEHM CCOC(=O)CC[C@H](C)NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000270621848 211235132 /nfs/dbraw/zinc/23/51/32/211235132.db2.gz OYRRLZFNRJTPLL-LBPRGKRZSA-N -1 3 361.398 0.928 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1ccc(OCC(F)(F)C(F)F)nc1 ZINC000270593083 211230119 /nfs/dbraw/zinc/23/01/19/211230119.db2.gz MKAWWXGAESDVKY-ZETCQYMHSA-N -1 3 364.255 0.897 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCCOc1cccc(Br)c1 ZINC000270589755 211229916 /nfs/dbraw/zinc/22/99/16/211229916.db2.gz LQLBNEKIJUNJEV-JTQLQIEISA-N -1 3 356.176 0.542 10 0 FCAEHM C[C@H]1CN(Cc2csc(NC(=O)C[C@@H]3NC(=O)[N-]C3=O)n2)C[C@H](C)O1 ZINC000270580169 211227555 /nfs/dbraw/zinc/22/75/55/211227555.db2.gz FQEBIBYYNSRDJV-QXEWZRGKSA-N -1 3 367.431 0.289 10 0 FCAEHM C[C@@H]1CN(Cc2csc(NC(=O)C[C@@H]3NC(=O)[N-]C3=O)n2)C[C@H](C)O1 ZINC000270580166 211227506 /nfs/dbraw/zinc/22/75/06/211227506.db2.gz FQEBIBYYNSRDJV-NGZCFLSTSA-N -1 3 367.431 0.289 10 0 FCAEHM O=C(c1cccc([O-])c1)N1CCN(C(=O)C2CN(CC(F)F)C2)CC1 ZINC000469723155 250002092 /nfs/dbraw/zinc/00/20/92/250002092.db2.gz NRTKGTGNFXPPBV-UHFFFAOYSA-N -1 3 353.369 0.874 10 0 FCAEHM CCOC(=O)c1csc(CCNC(=O)c2cn(C)c(=O)[n-]c2=O)n1 ZINC000470324423 250036474 /nfs/dbraw/zinc/03/64/74/250036474.db2.gz XHQLVZVHNATRHW-UHFFFAOYSA-N -1 3 352.372 0.092 10 0 FCAEHM CO[C@@H](CCNC(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1)C(F)(F)F ZINC000470332916 250037305 /nfs/dbraw/zinc/03/73/05/250037305.db2.gz LRSNHEBJOHVYQA-VIFPVBQESA-N -1 3 372.369 0.090 10 0 FCAEHM COC(=O)[C@@H]1CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)[C@@H]1C ZINC000470066167 250024684 /nfs/dbraw/zinc/02/46/84/250024684.db2.gz MPBSUZKHPGANIE-QJPTWQEYSA-N -1 3 372.418 0.903 10 0 FCAEHM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-]C[C@H]2CCC[C@@H]2O)c1 ZINC000270214469 211168514 /nfs/dbraw/zinc/16/85/14/211168514.db2.gz OPEQJNUUDUNPRS-YPMHNXCESA-N -1 3 371.411 0.699 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1C[C@H](C)O[C@H](CO)C1 ZINC000470928768 250077141 /nfs/dbraw/zinc/07/71/41/250077141.db2.gz HARIBJMPPRUYFB-QWRGUYRKSA-N -1 3 370.427 0.780 10 0 FCAEHM Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)CN1CC(=O)[N-]C1=O ZINC000270048951 211146686 /nfs/dbraw/zinc/14/66/86/211146686.db2.gz DQTSRRWTYIFRAE-CYBMUJFWSA-N -1 3 355.398 0.888 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)[C@H]1CSC(=O)N1 ZINC000269797781 211081294 /nfs/dbraw/zinc/08/12/94/211081294.db2.gz JLWWNJZKUQDDFB-ZCFIWIBFSA-N -1 3 369.877 0.621 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]Cc2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000474041310 250265488 /nfs/dbraw/zinc/26/54/88/250265488.db2.gz VPHQBUIATXKFQA-UHFFFAOYSA-N -1 3 372.472 0.632 10 0 FCAEHM C[C@]1(c2cccc(NC(=O)CNC(=O)c3cccnc3)c2)NC(=O)[N-]C1=O ZINC000480790042 250283332 /nfs/dbraw/zinc/28/33/32/250283332.db2.gz WBRNSDRBYFHHPM-GOSISDBHSA-N -1 3 367.365 0.505 10 0 FCAEHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@H](CO)c2ccsc2)cn1 ZINC000480896371 250292135 /nfs/dbraw/zinc/29/21/35/250292135.db2.gz JTUSVGGGYIIFSF-LLVKDONJSA-N -1 3 362.454 0.559 10 0 FCAEHM O=C(NCCCn1ccnn1)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1 ZINC000480934908 250297783 /nfs/dbraw/zinc/29/77/83/250297783.db2.gz TTYGBWPVXMFVEW-CYBMUJFWSA-N -1 3 357.374 0.240 10 0 FCAEHM O=C(NCCCn1ccnn1)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000480934931 250298243 /nfs/dbraw/zinc/29/82/43/250298243.db2.gz TTYGBWPVXMFVEW-ZDUSSCGKSA-N -1 3 357.374 0.240 10 0 FCAEHM CCn1ncnc1C[N-]S(=O)(=O)c1c(OC)cc(OC)cc1OC ZINC000481226345 250323741 /nfs/dbraw/zinc/32/37/41/250323741.db2.gz HRNWYCMYRDILHG-UHFFFAOYSA-N -1 3 356.404 0.802 10 0 FCAEHM Nc1cc(CCCNC(=O)C[C@@H]2NC(=O)[N-]C2=O)nn1-c1ccccc1 ZINC000481655513 250348084 /nfs/dbraw/zinc/34/80/84/250348084.db2.gz HRCMPCPKTCIKEH-ZDUSSCGKSA-N -1 3 356.386 0.101 10 0 FCAEHM CN1C(=O)c2ccc(S(=O)(=O)[N-]C[C@H](O)C(F)(F)F)cc2C1=O ZINC000269751638 211064388 /nfs/dbraw/zinc/06/43/88/211064388.db2.gz ZAZMDQKYKHOIIA-VIFPVBQESA-N -1 3 352.290 0.114 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCc3c2c(F)ccc3F)c1 ZINC000499002231 250699944 /nfs/dbraw/zinc/69/99/44/250699944.db2.gz OYRQQDFLVUCHJX-UHFFFAOYSA-N -1 3 356.354 0.566 10 0 FCAEHM C[C@H](Cn1cncn1)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000268399262 210780004 /nfs/dbraw/zinc/78/00/04/210780004.db2.gz PEQLSQNVZCUHDI-SECBINFHSA-N -1 3 362.408 0.188 10 0 FCAEHM COC(=O)[C@@H](C)CS(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)N(C)C ZINC000268376615 210773790 /nfs/dbraw/zinc/77/37/90/210773790.db2.gz ZOJXITPGOPYSTO-GXTWGEPZSA-N -1 3 356.444 0.414 10 0 FCAEHM COC(=O)[C@@H](C)CS(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000268376617 210773692 /nfs/dbraw/zinc/77/36/92/210773692.db2.gz ZOJXITPGOPYSTO-JSGCOSHPSA-N -1 3 356.444 0.414 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NCCc1ccccc1O ZINC000062157732 208011181 /nfs/dbraw/zinc/01/11/81/208011181.db2.gz PWBXMLUVZXSIBS-UHFFFAOYSA-N -1 3 353.400 0.634 10 0 FCAEHM Cn1cc(CN2CCCN(C(=O)c3ccc4c(c3)C(=O)[N-]C4=O)CC2)cn1 ZINC000109657449 208260915 /nfs/dbraw/zinc/26/09/15/208260915.db2.gz WQHPLNDRMDEFQE-UHFFFAOYSA-N -1 3 367.409 0.652 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000111634229 208282076 /nfs/dbraw/zinc/28/20/76/208282076.db2.gz XLVIHWOXWXWSQA-NSHDSACASA-N -1 3 366.368 0.597 10 0 FCAEHM CC[C@H]1CN(C(=O)CCc2c(C)nc(C)[n-]c2=O)CCN1CCOC ZINC000117308929 208343033 /nfs/dbraw/zinc/34/30/33/208343033.db2.gz CCLUFOGLGWFLLZ-HNNXBMFYSA-N -1 3 350.463 0.889 10 0 FCAEHM Cc1cnn(CCNC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)c1 ZINC000117818080 208346529 /nfs/dbraw/zinc/34/65/29/208346529.db2.gz OASDMSUXTLKUET-LBPRGKRZSA-N -1 3 354.407 0.814 10 0 FCAEHM O=c1ccnc2sc(NCC[N-]S(=O)(=O)c3cccs3)nn21 ZINC000119998680 208372405 /nfs/dbraw/zinc/37/24/05/208372405.db2.gz KYLPPUDRMDKOFH-UHFFFAOYSA-N -1 3 357.442 0.603 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CC[C@@H](N3CC=CC3)C2)s1 ZINC000266643200 210374458 /nfs/dbraw/zinc/37/44/58/210374458.db2.gz FCQVCVDPRODVFU-GFCCVEGCSA-N -1 3 370.500 0.812 10 0 FCAEHM COCC[C@@](C)(O)CNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000266562166 210356950 /nfs/dbraw/zinc/35/69/50/210356950.db2.gz QUHHNYYWQKTTAE-XHDPSFHLSA-N -1 3 362.423 0.396 10 0 FCAEHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1CC[C@H](C(=O)OC)C1 ZINC000266497402 210345115 /nfs/dbraw/zinc/34/51/15/210345115.db2.gz CDWUFYPMTGODMT-VIFPVBQESA-N -1 3 354.384 0.885 10 0 FCAEHM Cc1cc(N2CCC[C@H]([N-]S(=O)(=O)N3CCCC[C@H]3C)C2=O)n(C)n1 ZINC000266376065 210329272 /nfs/dbraw/zinc/32/92/72/210329272.db2.gz WTFNFNAEDYDONN-KGLIPLIRSA-N -1 3 369.491 0.933 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]Cc1cccc(OCC(N)=O)c1 ZINC000266267977 210312061 /nfs/dbraw/zinc/31/20/61/210312061.db2.gz FVMHPXMHTKFEPP-UHFFFAOYSA-N -1 3 372.834 0.725 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CCC[C@@H]1Cn1ccnc1 ZINC000177792625 209036223 /nfs/dbraw/zinc/03/62/23/209036223.db2.gz BPXJUNSADNIPPP-GFCCVEGCSA-N -1 3 354.457 0.914 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000178562272 209051920 /nfs/dbraw/zinc/05/19/20/209051920.db2.gz RDORCJZDNDUTDL-FUHWJXTLSA-N -1 3 365.389 0.854 10 0 FCAEHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000179756385 209087551 /nfs/dbraw/zinc/08/75/51/209087551.db2.gz LKPULJMDYVMGNX-VIFPVBQESA-N -1 3 350.762 0.943 10 0 FCAEHM CS(=O)(=O)NC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000409795281 533404858 /nfs/dbraw/zinc/40/48/58/533404858.db2.gz HWAYTHPMVPETGH-TVQRCGJNSA-N -1 3 368.427 0.961 10 0 FCAEHM CS(=O)(=O)NC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000409783413 533407805 /nfs/dbraw/zinc/40/78/05/533407805.db2.gz BACIKEDQPIXJFE-SKDRFNHKSA-N -1 3 368.427 0.961 10 0 FCAEHM Cc1cc(N2CCC[C@H]([N-]S(=O)(=O)N3CC[C@H](C)C3)C2=O)n(C)n1 ZINC000408133881 230011694 /nfs/dbraw/zinc/01/16/94/230011694.db2.gz RDQUDAANVLBZAE-AAEUAGOBSA-N -1 3 355.464 0.400 10 0 FCAEHM Cc1ncc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)s1 ZINC000409801650 230046234 /nfs/dbraw/zinc/04/62/34/230046234.db2.gz PXXXMUQDNUOBDK-NXEZZACHSA-N -1 3 353.491 0.448 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCC[C@H](O)C(F)(F)F ZINC000410053160 230056113 /nfs/dbraw/zinc/05/61/13/230056113.db2.gz RSJQBTRZLJEENB-KWQFWETISA-N -1 3 372.340 0.922 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCC[C@H](O)C(F)(F)F ZINC000410062278 230057717 /nfs/dbraw/zinc/05/77/17/230057717.db2.gz OXGHMVMNZNOPTK-YUMQZZPRSA-N -1 3 360.379 0.844 10 0 FCAEHM CCS(=O)(=O)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000363633575 488866063 /nfs/dbraw/zinc/86/60/63/488866063.db2.gz GAFMOHMAHWRTIM-ZDUSSCGKSA-N -1 3 354.428 0.548 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)Nc2cc([C@H]3CCCO3)[nH]n2)cn1C ZINC000473844467 484460500 /nfs/dbraw/zinc/46/05/00/484460500.db2.gz BPPCPGYSYPLMQI-LLVKDONJSA-N -1 3 368.419 0.220 10 0 FCAEHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H](O)CN3CCOCC3)nc2)n1 ZINC000301743825 488883590 /nfs/dbraw/zinc/88/35/90/488883590.db2.gz WBSLMJKQIPEJQK-HNNXBMFYSA-N -1 3 359.430 0.912 10 0 FCAEHM CCCOc1ccc(S(=O)(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000278607180 488884259 /nfs/dbraw/zinc/88/42/59/488884259.db2.gz CKTDWPHUPRHEEM-INIZCTEOSA-N -1 3 367.427 0.838 10 0 FCAEHM COc1cc(C)c(S(=O)(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1C ZINC000278656031 488887527 /nfs/dbraw/zinc/88/75/27/488887527.db2.gz GXPNTANKWCZQPH-MRXNPFEDSA-N -1 3 367.427 0.675 10 0 FCAEHM COc1ccc(S(=O)(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c(C)c1 ZINC000278774116 488894666 /nfs/dbraw/zinc/89/46/66/488894666.db2.gz PBCRSZZZSRLWIW-OAHLLOKOSA-N -1 3 353.400 0.366 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@]3(CNC(=O)C3)C2)ccc1F ZINC000278929876 488904942 /nfs/dbraw/zinc/90/49/42/488904942.db2.gz JTSVNOHSMLLSRE-OAHLLOKOSA-N -1 3 355.391 0.086 10 0 FCAEHM O=C1CN(CCC[N-]S(=O)(=O)c2cccnc2C(F)(F)F)CCN1 ZINC000287824757 488910473 /nfs/dbraw/zinc/91/04/73/488910473.db2.gz NIQPOODDDMEDCF-UHFFFAOYSA-N -1 3 366.365 0.201 10 0 FCAEHM O=C1[N-]C(=O)[C@]2(CCCN(Cc3nc(-c4ccc5c(c4)OCO5)no3)C2)N1 ZINC000279053061 488913535 /nfs/dbraw/zinc/91/35/35/488913535.db2.gz KPKMTVIKXZZOCB-QGZVFWFLSA-N -1 3 371.353 0.639 10 0 FCAEHM CC(=O)c1cccc(OC[C@H](O)CN2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000279071820 488914603 /nfs/dbraw/zinc/91/46/03/488914603.db2.gz MSLXWCSGNOTFDT-KDOFPFPSSA-N -1 3 361.398 0.303 10 0 FCAEHM COc1ccc(NC(=O)CN2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1Cl ZINC000279074755 488915424 /nfs/dbraw/zinc/91/54/24/488915424.db2.gz NEXZUGJMYPWXMP-INIZCTEOSA-N -1 3 366.805 0.961 10 0 FCAEHM O=C1[N-]C(=O)[C@]2(CCCN(Cc3nc(Cc4cccc(F)c4)no3)C2)N1 ZINC000279095165 488916753 /nfs/dbraw/zinc/91/67/53/488916753.db2.gz PWMFWTBXWCGQOS-QGZVFWFLSA-N -1 3 359.361 0.974 10 0 FCAEHM COc1ccccc1N1CC[C@@H](N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)C1=O ZINC000279037157 488912483 /nfs/dbraw/zinc/91/24/83/488912483.db2.gz IYAXVFMKNTVWHQ-ACJLOTCBSA-N -1 3 358.398 0.475 10 0 FCAEHM C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2cc(=O)[n-]c(N(C)C)n2)C1 ZINC000328629014 488924557 /nfs/dbraw/zinc/92/45/57/488924557.db2.gz HTUTUWBQYIKUKT-AEGPPILISA-N -1 3 363.462 0.706 10 0 FCAEHM COc1cccc(CNC(=O)[C@@H](C)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000279141265 488919902 /nfs/dbraw/zinc/91/99/02/488919902.db2.gz XLEWCALKHPXYST-XIKOKIGWSA-N -1 3 360.414 0.374 10 0 FCAEHM CCOC(=O)C(C)(C)c1csc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)n1 ZINC000288022425 488933585 /nfs/dbraw/zinc/93/35/85/488933585.db2.gz BWCXPNXAGRPGOB-ZETCQYMHSA-N -1 3 354.388 0.520 10 0 FCAEHM COC[C@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F)[C@@H]1CCCO1 ZINC000279346798 488934381 /nfs/dbraw/zinc/93/43/81/488934381.db2.gz FFMIESYFJWPVOJ-UBHSHLNASA-N -1 3 374.434 0.803 10 0 FCAEHM CC(C)(C)OC(=O)NC1(C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)CC1 ZINC000279449531 488943354 /nfs/dbraw/zinc/94/33/54/488943354.db2.gz KKTJLDWEVKGOCE-INIZCTEOSA-N -1 3 352.391 0.244 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC[C@@]1(O)CCO[C@H]1C ZINC000279457742 488943993 /nfs/dbraw/zinc/94/39/93/488943993.db2.gz KYVPROCZCFMJEP-PGUXBMHVSA-N -1 3 360.407 0.149 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](c2nc[nH]n2)c2ccccc2)cn1 ZINC000364270648 488942024 /nfs/dbraw/zinc/94/20/24/488942024.db2.gz TZIYHINOWSWWOY-CQSZACIVSA-N -1 3 372.410 0.627 10 0 FCAEHM CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279486897 488946515 /nfs/dbraw/zinc/94/65/15/488946515.db2.gz MYYPAHKWHMXJGH-SJCJKPOMSA-N -1 3 362.386 0.235 10 0 FCAEHM O=C(CNC(=O)OCc1ccccc1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279486662 488946605 /nfs/dbraw/zinc/94/66/05/488946605.db2.gz MXESVCUXGDPPHA-QGZVFWFLSA-N -1 3 360.370 0.113 10 0 FCAEHM O=C(c1cn(-c2cccc(Cl)c2)nn1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279514745 488948972 /nfs/dbraw/zinc/94/89/72/488948972.db2.gz OZHDGPWYVALVLW-MRXNPFEDSA-N -1 3 374.788 0.735 10 0 FCAEHM O=C(Cn1cc(-c2ccccc2)nn1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279526041 488949972 /nfs/dbraw/zinc/94/99/72/488949972.db2.gz PUVFSLZUSIYIEM-KRWDZBQOSA-N -1 3 354.370 0.146 10 0 FCAEHM C[C@H]1C(=O)Nc2cc(C(=O)N3CCC[C@@]4(C3)NC(=O)[N-]C4=O)ccc2N1C ZINC000279582586 488953841 /nfs/dbraw/zinc/95/38/41/488953841.db2.gz UMYNSMUUSRIFBQ-YPMLDQLKSA-N -1 3 371.397 0.278 10 0 FCAEHM CCOC(=O)N1CCC[C@@H](C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)C1 ZINC000279581038 488953864 /nfs/dbraw/zinc/95/38/64/488953864.db2.gz UIYHGVBGQZAAHZ-BZNIZROVSA-N -1 3 352.391 0.056 10 0 FCAEHM CCNC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2cnc(NC(C)=O)s2)C1 ZINC000288276348 488964694 /nfs/dbraw/zinc/96/46/94/488964694.db2.gz UWGYEAASSJVKKX-SECBINFHSA-N -1 3 361.449 0.184 10 0 FCAEHM CSc1nc(C)c(CCC(=O)NCCCCN2CCOCC2)c(=O)[n-]1 ZINC000053449885 488201982 /nfs/dbraw/zinc/20/19/82/488201982.db2.gz NKBUXPGLFPKCMQ-UHFFFAOYSA-N -1 3 368.503 0.961 10 0 FCAEHM CCN(CCC[N-]S(=O)(=O)c1c(C)nn(C)c1Cl)S(C)(=O)=O ZINC000055284952 488240489 /nfs/dbraw/zinc/24/04/89/488240489.db2.gz OLQBZAIXHGIWMI-UHFFFAOYSA-N -1 3 372.900 0.332 10 0 FCAEHM Cc1noc(CCC[N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)n1 ZINC000066935190 488341276 /nfs/dbraw/zinc/34/12/76/488341276.db2.gz ZRPZYSBHQCLYII-UHFFFAOYSA-N -1 3 359.429 0.693 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)c1 ZINC000268190961 488395134 /nfs/dbraw/zinc/39/51/34/488395134.db2.gz XLIPDBIUKJWGDX-VTXSZYRJSA-N -1 3 352.460 0.736 10 0 FCAEHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000268319229 488407666 /nfs/dbraw/zinc/40/76/66/488407666.db2.gz RKCYKHPOEQFOTH-UHFFFAOYSA-N -1 3 374.440 0.509 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000188763761 488413386 /nfs/dbraw/zinc/41/33/86/488413386.db2.gz MCWGLAWNMNVQFP-UHFFFAOYSA-N -1 3 350.806 0.366 10 0 FCAEHM CCNC(=O)N1CC[C@@H](NC(=O)c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)C1 ZINC000268464370 488421206 /nfs/dbraw/zinc/42/12/06/488421206.db2.gz LJRNFKQJGSWFSW-ACJLOTCBSA-N -1 3 373.413 0.275 10 0 FCAEHM CCCNC(=O)CN1CCC(NC(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000078929879 488425413 /nfs/dbraw/zinc/42/54/13/488425413.db2.gz AQQHTHARRVVVQQ-UHFFFAOYSA-N -1 3 371.441 0.644 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]CCCN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000080736725 488436943 /nfs/dbraw/zinc/43/69/43/488436943.db2.gz CBCUCKAZMPUVDE-CYBMUJFWSA-N -1 3 357.480 0.124 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCN(CCn2nc3ccccn3c2=O)CC1 ZINC000080930574 488438155 /nfs/dbraw/zinc/43/81/55/488438155.db2.gz FSQAAZGSJRTTLK-UHFFFAOYSA-N -1 3 367.409 0.660 10 0 FCAEHM CC(=O)N1CCN(C(=O)CC[N-]S(=O)(=O)c2cccs2)[C@@H](C)C1 ZINC000268697268 488443102 /nfs/dbraw/zinc/44/31/02/488443102.db2.gz GEXDJJVPPMDUFG-NSHDSACASA-N -1 3 359.473 0.496 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C2CN(C(=O)OC)C2)c(Cl)c1 ZINC000269304212 488489575 /nfs/dbraw/zinc/48/95/75/488489575.db2.gz STXVDJCYWABIKD-UHFFFAOYSA-N -1 3 362.791 0.856 10 0 FCAEHM COC(=O)N1CC(NC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000269351917 488494669 /nfs/dbraw/zinc/49/46/69/488494669.db2.gz MZUNSBBMOATPRT-VIFPVBQESA-N -1 3 359.379 0.059 10 0 FCAEHM COCCCS(=O)(=O)[N-]CC(=O)Nc1cccc(-c2noc(C)n2)c1 ZINC000269351228 488494860 /nfs/dbraw/zinc/49/48/60/488494860.db2.gz ZULKLBHYXGZAKB-UHFFFAOYSA-N -1 3 368.415 0.939 10 0 FCAEHM O=C(CN1CCCC1)N1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000103175817 488500058 /nfs/dbraw/zinc/50/00/58/488500058.db2.gz OIUHCZSZIKYYFC-UHFFFAOYSA-N -1 3 369.425 0.303 10 0 FCAEHM O=C(CN1CCC[C@@]2(C1)NC(=O)[N-]C2=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000248676067 488500292 /nfs/dbraw/zinc/50/02/92/488500292.db2.gz JPGSLWMIFFRGEN-YGRLFVJLSA-N -1 3 362.352 0.461 10 0 FCAEHM NC(=O)C[C@@H]1CCCCN1C(=O)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000116580562 488548064 /nfs/dbraw/zinc/54/80/64/488548064.db2.gz HUYUAVBYYAWLLU-LBPRGKRZSA-N -1 3 370.409 0.927 10 0 FCAEHM COC(=O)CCN(C)S(=O)(=O)[N-][C@@]1(C(=O)OC)CCCC(C)(C)C1 ZINC000599411612 492170468 /nfs/dbraw/zinc/17/04/68/492170468.db2.gz HZNCDFWAJNHAAI-HNNXBMFYSA-N -1 3 364.464 0.828 10 0 FCAEHM CCn1c(=O)[n-]c(=O)c2c(C(=O)NCc3noc(C)n3)cc(C3CC3)nc21 ZINC000118645679 488553722 /nfs/dbraw/zinc/55/37/22/488553722.db2.gz ODFMOKDFRJEPHI-UHFFFAOYSA-N -1 3 370.369 0.604 10 0 FCAEHM COc1ncc(C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)cc1Br ZINC000563000919 491207089 /nfs/dbraw/zinc/20/70/89/491207089.db2.gz QYZAIFXSYYAZNT-SECBINFHSA-N -1 3 369.175 0.229 10 0 FCAEHM COc1nnc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)[n-]1 ZINC000272430608 488580409 /nfs/dbraw/zinc/58/04/09/488580409.db2.gz HOJWTWPSBBZVOP-HNNXBMFYSA-N -1 3 362.321 0.358 10 0 FCAEHM COc1nc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)n[n-]1 ZINC000272430608 488580411 /nfs/dbraw/zinc/58/04/11/488580411.db2.gz HOJWTWPSBBZVOP-HNNXBMFYSA-N -1 3 362.321 0.358 10 0 FCAEHM COc1n[n-]c(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)n1 ZINC000272430608 488580414 /nfs/dbraw/zinc/58/04/14/488580414.db2.gz HOJWTWPSBBZVOP-HNNXBMFYSA-N -1 3 362.321 0.358 10 0 FCAEHM COc1nnc(NC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)[n-]1 ZINC000272443145 488581359 /nfs/dbraw/zinc/58/13/59/488581359.db2.gz IYDNBDAFTAYIJT-UHFFFAOYSA-N -1 3 359.390 0.276 10 0 FCAEHM COc1nc(NC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)n[n-]1 ZINC000272443145 488581361 /nfs/dbraw/zinc/58/13/61/488581361.db2.gz IYDNBDAFTAYIJT-UHFFFAOYSA-N -1 3 359.390 0.276 10 0 FCAEHM COc1n[n-]c(NC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)n1 ZINC000272443145 488581362 /nfs/dbraw/zinc/58/13/62/488581362.db2.gz IYDNBDAFTAYIJT-UHFFFAOYSA-N -1 3 359.390 0.276 10 0 FCAEHM COc1nnc(NC(=O)[C@H](C)CS(=O)(=O)c2ccc(OC)cc2)[n-]1 ZINC000272551003 488587653 /nfs/dbraw/zinc/58/76/53/488587653.db2.gz SSPJHWCFBDZYIE-SECBINFHSA-N -1 3 354.388 0.870 10 0 FCAEHM COc1nc(NC(=O)[C@H](C)CS(=O)(=O)c2ccc(OC)cc2)n[n-]1 ZINC000272551003 488587655 /nfs/dbraw/zinc/58/76/55/488587655.db2.gz SSPJHWCFBDZYIE-SECBINFHSA-N -1 3 354.388 0.870 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@H](C)CS(=O)(=O)c2ccc(OC)cc2)n1 ZINC000272551003 488587657 /nfs/dbraw/zinc/58/76/57/488587657.db2.gz SSPJHWCFBDZYIE-SECBINFHSA-N -1 3 354.388 0.870 10 0 FCAEHM COc1ccc(O[C@H](C)C(=O)N2CCO[C@H](CN(C)CC(=O)[O-])C2)cc1 ZINC000262969728 488601400 /nfs/dbraw/zinc/60/14/00/488601400.db2.gz RRKPJZHWKVITKN-CZUORRHYSA-N -1 3 366.414 0.706 10 0 FCAEHM CC(=O)N1CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)CC1 ZINC000263657413 488616542 /nfs/dbraw/zinc/61/65/42/488616542.db2.gz HRNSHXHIEGDCRN-NSHDSACASA-N -1 3 357.407 0.183 10 0 FCAEHM CC[C@](NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F)(C(N)=O)C(C)C ZINC000272918697 488616977 /nfs/dbraw/zinc/61/69/77/488616977.db2.gz SSYYIDNLGXFFLW-MEDUHNTESA-N -1 3 373.450 0.899 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N[C@@H](CO)c2ccc(Cl)cc2)c1 ZINC000272945227 488619412 /nfs/dbraw/zinc/61/94/12/488619412.db2.gz PNUYCCYEBBDKQB-LBPRGKRZSA-N -1 3 372.834 0.202 10 0 FCAEHM C[C@@H](CO[N-]C(=O)CCC[C@]1(C)NC(=O)NC1=O)NC(=O)OC(C)(C)C ZINC000273101211 488631604 /nfs/dbraw/zinc/63/16/04/488631604.db2.gz PPSHBEFJYPWGEU-QFYYESIMSA-N -1 3 372.422 0.716 10 0 FCAEHM CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000132237671 488652046 /nfs/dbraw/zinc/65/20/46/488652046.db2.gz KELDFPSTYJWHGQ-CQSZACIVSA-N -1 3 367.409 0.514 10 0 FCAEHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C)CC(N)=O ZINC000135102616 488670957 /nfs/dbraw/zinc/67/09/57/488670957.db2.gz ZVUVHOSCGMYUGA-ZETCQYMHSA-N -1 3 351.222 1.000 10 0 FCAEHM O=C(Cn1nc2ccccn2c1=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000136995841 488679443 /nfs/dbraw/zinc/67/94/43/488679443.db2.gz FPJGBMXOSLLHEB-UHFFFAOYSA-N -1 3 350.342 0.239 10 0 FCAEHM O=C(Cn1nc2ccccn2c1=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000136995841 488679446 /nfs/dbraw/zinc/67/94/46/488679446.db2.gz FPJGBMXOSLLHEB-UHFFFAOYSA-N -1 3 350.342 0.239 10 0 FCAEHM CCOc1c(OC)cc(CNC(=O)C[C@@H]2NC(=O)[N-]C2=O)cc1OC ZINC000140932970 488687348 /nfs/dbraw/zinc/68/73/48/488687348.db2.gz SDXUWIXLXPQEBL-JTQLQIEISA-N -1 3 351.359 0.317 10 0 FCAEHM C[C@@H]1CN(c2ccc(NC(=O)CN3CC(=O)[N-]C3=O)cc2F)C[C@@H](C)O1 ZINC000264592572 488688116 /nfs/dbraw/zinc/68/81/16/488688116.db2.gz BARLJYCTWOFJTF-GHMZBOCLSA-N -1 3 364.377 0.930 10 0 FCAEHM C[C@H]1CN(c2ccc(NC(=O)CN3CC(=O)[N-]C3=O)cc2F)C[C@H](C)O1 ZINC000264592577 488688235 /nfs/dbraw/zinc/68/82/35/488688235.db2.gz BARLJYCTWOFJTF-QWRGUYRKSA-N -1 3 364.377 0.930 10 0 FCAEHM C[C@@H]1CN(Cc2ccc(CNC(=O)CN3CC(=O)[N-]C3=O)cc2)C[C@H](C)O1 ZINC000264618487 488690983 /nfs/dbraw/zinc/69/09/83/488690983.db2.gz BBRDAVPWLONFAN-OKILXGFUSA-N -1 3 374.441 0.464 10 0 FCAEHM COc1ccc(C(=O)C2CCN(C(=O)CN3CC(=O)[N-]C3=O)CC2)cc1 ZINC000264658160 488695543 /nfs/dbraw/zinc/69/55/43/488695543.db2.gz HHPUJYXVLYZNIX-UHFFFAOYSA-N -1 3 359.382 0.668 10 0 FCAEHM Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN1CC(=O)[N-]C1=O ZINC000264695277 488699931 /nfs/dbraw/zinc/69/99/31/488699931.db2.gz MSQAQDRFMWXQJY-UHFFFAOYSA-N -1 3 355.398 0.716 10 0 FCAEHM CCn1nccc1S(=O)(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000274648667 488725289 /nfs/dbraw/zinc/72/52/89/488725289.db2.gz NDEWDBGDEWTRSS-UHFFFAOYSA-N -1 3 364.474 0.221 10 0 FCAEHM COCCCCS(=O)(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000274890992 488741118 /nfs/dbraw/zinc/74/11/18/488741118.db2.gz RMFIFTHKMFXJNO-UHFFFAOYSA-N -1 3 356.444 0.906 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCOCC23CCCCC3)cn1C ZINC000570139508 491219518 /nfs/dbraw/zinc/21/95/18/491219518.db2.gz GVNAYXNFZQESAB-UHFFFAOYSA-N -1 3 370.475 0.569 10 0 FCAEHM C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000275153928 488766594 /nfs/dbraw/zinc/76/65/94/488766594.db2.gz UEBVPHXIIFLDAB-DCAQKATOSA-N -1 3 354.407 0.346 10 0 FCAEHM CCN(CC)[C@H](C)CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000267308459 488776212 /nfs/dbraw/zinc/77/62/12/488776212.db2.gz WMHYXPOAIQLALS-SECBINFHSA-N -1 3 355.420 0.445 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@H](O)CN1CCc2ccccc2C1 ZINC000158868785 488781117 /nfs/dbraw/zinc/78/11/17/488781117.db2.gz XHFWMGZLRDPSRH-INIZCTEOSA-N -1 3 365.455 0.989 10 0 FCAEHM C[C@@H]1COCC[C@@H]1NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000278032584 488797189 /nfs/dbraw/zinc/79/71/89/488797189.db2.gz XCGAFJIPGPGPTR-SKDRFNHKSA-N -1 3 366.436 0.901 10 0 FCAEHM C[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000278034553 488797201 /nfs/dbraw/zinc/79/72/01/488797201.db2.gz XCVPGBFJZOLUDC-ONGXEEELSA-N -1 3 362.835 0.907 10 0 FCAEHM Cn1c([O-])ncc(C(=O)Nc2ccc(N3CCCN(C)CC3)cc2)c1=O ZINC000267568449 488798861 /nfs/dbraw/zinc/79/88/61/488798861.db2.gz GWBOYWIDLPFWFY-UHFFFAOYSA-N -1 3 357.414 0.880 10 0 FCAEHM Cn1nccc1CC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000554744863 491222392 /nfs/dbraw/zinc/22/23/92/491222392.db2.gz XNZSEXZSDZPDJK-UHFFFAOYSA-N -1 3 374.825 0.850 10 0 FCAEHM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)N(C)C ZINC000278171173 488804585 /nfs/dbraw/zinc/80/45/85/488804585.db2.gz FWTRHPAAHBFLOI-TZMCWYRMSA-N -1 3 355.460 0.082 10 0 FCAEHM COCCN(C)CCNC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000171127095 488820032 /nfs/dbraw/zinc/82/00/32/488820032.db2.gz KTLZBYUSEZSMEZ-UHFFFAOYSA-N -1 3 373.457 0.767 10 0 FCAEHM C[C@H](CO[C@H]1CCOC1)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000267947653 488830327 /nfs/dbraw/zinc/83/03/27/488830327.db2.gz JOJDQQUZYSMUBB-AGIUHOORSA-N -1 3 374.434 0.803 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)Cn2cncn2)cc(F)c1F ZINC000268060596 488837156 /nfs/dbraw/zinc/83/71/56/488837156.db2.gz YMIRDBHPRHNUAO-MRVPVSSYSA-N -1 3 360.342 0.710 10 0 FCAEHM Cc1cc(N2CCC[C@@H]([N-]S(=O)(=O)N3CCCCCC3)C2=O)n(C)n1 ZINC000174040742 488847275 /nfs/dbraw/zinc/84/72/75/488847275.db2.gz FCCYFHMNRPKPSZ-CQSZACIVSA-N -1 3 369.491 0.934 10 0 FCAEHM COC[C@H]([N-]S(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1)c1ccco1 ZINC000181342250 488863351 /nfs/dbraw/zinc/86/33/51/488863351.db2.gz WQGRGJZPMQYYEB-LBPRGKRZSA-N -1 3 355.416 0.986 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NCCCCn1cc(Br)cn1 ZINC000280124352 488986174 /nfs/dbraw/zinc/98/61/74/488986174.db2.gz SGAKZQDXJDYABQ-UHFFFAOYSA-N -1 3 358.196 0.094 10 0 FCAEHM CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000329312489 488992966 /nfs/dbraw/zinc/99/29/66/488992966.db2.gz AOBUEUKJKIQZKA-AXFHLTTASA-N -1 3 354.432 0.537 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-][C@H]2CCN(c3ccccc3F)C2=O)C[C@H](C)O1 ZINC000329439952 489004891 /nfs/dbraw/zinc/00/48/91/489004891.db2.gz MUPLIXPHYOVXCW-SCRDCRAPSA-N -1 3 371.434 0.875 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCCC[C@@H]1C(=O)OCc1ccccc1 ZINC000280597249 489020271 /nfs/dbraw/zinc/02/02/71/489020271.db2.gz OESOHOKNTPFSQA-CQSZACIVSA-N -1 3 359.382 0.663 10 0 FCAEHM COC(=O)CCCO[N-]C(=O)Nc1ccc(OC)c(-n2cnnn2)c1 ZINC000288835127 489020779 /nfs/dbraw/zinc/02/07/79/489020779.db2.gz PDCBLUXYCOBNCM-UHFFFAOYSA-N -1 3 350.335 0.677 10 0 FCAEHM C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)C(=O)[N-]c1cnns1 ZINC000288839941 489020844 /nfs/dbraw/zinc/02/08/44/489020844.db2.gz QMRBUUAZGIZQMX-IUCAKERBSA-N -1 3 355.420 0.991 10 0 FCAEHM CC(C)n1ncnc1CNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000280732418 489027965 /nfs/dbraw/zinc/02/79/65/489027965.db2.gz ISKFSKZHHKRGBJ-NSHDSACASA-N -1 3 369.422 0.981 10 0 FCAEHM CN1CCN(CCNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000365008508 489028843 /nfs/dbraw/zinc/02/88/43/489028843.db2.gz DGZZVYDJZCSJOF-MRXNPFEDSA-N -1 3 360.458 0.360 10 0 FCAEHM CN1CCN(CCNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000365008507 489028959 /nfs/dbraw/zinc/02/89/59/489028959.db2.gz DGZZVYDJZCSJOF-INIZCTEOSA-N -1 3 360.458 0.360 10 0 FCAEHM CCc1ccc(NC(=O)[N-]OCCCC(=O)OC)cc1S(N)(=O)=O ZINC000288930701 489029772 /nfs/dbraw/zinc/02/97/72/489029772.db2.gz XPKMUAFKPLJYOI-UHFFFAOYSA-N -1 3 359.404 0.903 10 0 FCAEHM CNC(=O)[C@@]1(C)CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000280798418 489032369 /nfs/dbraw/zinc/03/23/69/489032369.db2.gz QWGOGARAVSVGBD-ZBEGNZNMSA-N -1 3 371.434 0.477 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-][C@H]2CS(=O)(=O)c3ccccc32)C[C@H](C)O1 ZINC000329754827 489033074 /nfs/dbraw/zinc/03/30/74/489033074.db2.gz LBZIHHZNNJWBHO-LOWVWBTDSA-N -1 3 360.457 0.459 10 0 FCAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CCc1nc(C)no1 ZINC000288982777 489034132 /nfs/dbraw/zinc/03/41/32/489034132.db2.gz BLPSDBGVCHQGSE-QMMMGPOBSA-N -1 3 359.326 0.724 10 0 FCAEHM C[C@@H](C(=O)NC(=O)NCc1ccccc1)N1CCC(c2nc(=O)[n-][nH]2)CC1 ZINC000281068943 489051008 /nfs/dbraw/zinc/05/10/08/489051008.db2.gz SRWSMQFQJJAMHW-LBPRGKRZSA-N -1 3 372.429 0.692 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]CCCN1CCOCC1 ZINC000289301135 489056908 /nfs/dbraw/zinc/05/69/08/489056908.db2.gz IMDGUEVQLBITDM-UHFFFAOYSA-N -1 3 360.432 0.684 10 0 FCAEHM O=C(CN1CCC[C@@H](c2nc(=O)[n-][nH]2)C1)NCCOc1cccc(F)c1 ZINC000289351423 489060372 /nfs/dbraw/zinc/06/03/72/489060372.db2.gz GFJCAHXFXHNRKX-GFCCVEGCSA-N -1 3 363.393 0.612 10 0 FCAEHM O=C(CN1CCC(c2nc(=O)[n-][nH]2)CC1)NCCOc1cccc(F)c1 ZINC000289380185 489062996 /nfs/dbraw/zinc/06/29/96/489062996.db2.gz JDNPSNXOMHBGCH-UHFFFAOYSA-N -1 3 363.393 0.612 10 0 FCAEHM CC[C@@]1(C)NC(=O)N([N-]C(=O)[C@@H](F)C2CN(C(=O)OC(C)(C)C)C2)C1=O ZINC000289439284 489067475 /nfs/dbraw/zinc/06/74/75/489067475.db2.gz YQMUONLOCMRLSA-MGPLVRAMSA-N -1 3 372.397 0.943 10 0 FCAEHM Cc1nn(C)c(C)c1[C@H]1[C@H]([N-]S(=O)(=O)[C@H]2CCOC2)CC(=O)N1C ZINC000330311968 489090317 /nfs/dbraw/zinc/09/03/17/489090317.db2.gz WAIFMGMICGHMSF-YWPYICTPSA-N -1 3 356.448 0.017 10 0 FCAEHM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-][C@@H]1CCCN(c2ccccc2)C1=O ZINC000365795919 489114891 /nfs/dbraw/zinc/11/48/91/489114891.db2.gz OLWWERKYRCGRGS-TZMCWYRMSA-N -1 3 353.444 0.578 10 0 FCAEHM COc1ccc(C(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)c([O-])c1 ZINC000365804196 489115209 /nfs/dbraw/zinc/11/52/09/489115209.db2.gz QOPQEMCYBNBTHV-UHFFFAOYSA-N -1 3 357.432 0.355 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)c2ccnc(NC(=O)C3CC3)c2)nc1=N ZINC000563270430 491234620 /nfs/dbraw/zinc/23/46/20/491234620.db2.gz WABYCCMRQJICMU-GFCCVEGCSA-N -1 3 355.402 0.948 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)Cn2nnnc2-c2ccsc2)nc1=N ZINC000563270402 491234739 /nfs/dbraw/zinc/23/47/39/491234739.db2.gz VMKAPUCQAJVRHR-JTQLQIEISA-N -1 3 359.419 0.306 10 0 FCAEHM CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000366078981 489141887 /nfs/dbraw/zinc/14/18/87/489141887.db2.gz SCXGKIXVCIEXNA-QFYYESIMSA-N -1 3 354.407 0.490 10 0 FCAEHM COC(=O)CC1(CC(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)CCCC1 ZINC000366080531 489142578 /nfs/dbraw/zinc/14/25/78/489142578.db2.gz AJJBAHXJFCGLOD-QGZVFWFLSA-N -1 3 351.403 0.701 10 0 FCAEHM O=C(c1ncccc1OCC(F)(F)F)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000366096056 489143934 /nfs/dbraw/zinc/14/39/34/489143934.db2.gz RQWAMNFKBVHWJK-CQSZACIVSA-N -1 3 372.303 0.837 10 0 FCAEHM O=C(c1ccc(OCC(F)(F)F)nc1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000366142544 489150388 /nfs/dbraw/zinc/15/03/88/489150388.db2.gz JGTXPNDGPJJDFH-CQSZACIVSA-N -1 3 372.303 0.837 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)C(=O)NCCF)c(Cl)c1 ZINC000282379122 489159340 /nfs/dbraw/zinc/15/93/40/489159340.db2.gz QXCBJGXJNJEGCK-QMMMGPOBSA-N -1 3 366.798 0.879 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@H](C)[C@@H](OC)C1 ZINC000282413913 489161613 /nfs/dbraw/zinc/16/16/13/489161613.db2.gz FCZBWGRBGFINLN-RYUDHWBXSA-N -1 3 362.473 0.640 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@H](CO)c1cnn(C)c1 ZINC000290869348 489170655 /nfs/dbraw/zinc/17/06/55/489170655.db2.gz XZDREWWWYXVAEP-LLVKDONJSA-N -1 3 357.388 0.428 10 0 FCAEHM O=C(CN1CCN(c2ccccn2)CC1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282820702 489192077 /nfs/dbraw/zinc/19/20/77/489192077.db2.gz CJLBISQBLMPBMV-AWEZNQCLSA-N -1 3 371.445 0.021 10 0 FCAEHM COc1cnccc1[C@H](C)NC(=O)C[N-]S(=O)(=O)c1c(C)noc1C ZINC000555090313 491238451 /nfs/dbraw/zinc/23/84/51/491238451.db2.gz SWSVJHWWDSFYEA-VIFPVBQESA-N -1 3 368.415 0.851 10 0 FCAEHM Cn1nc(Br)cc1C(=O)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000297627706 489216156 /nfs/dbraw/zinc/21/61/56/489216156.db2.gz BYOQRIMEQPLAPG-UHFFFAOYSA-N -1 3 354.168 0.445 10 0 FCAEHM Cn1nc(Br)cc1C(=O)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000297627706 489216159 /nfs/dbraw/zinc/21/61/59/489216159.db2.gz BYOQRIMEQPLAPG-UHFFFAOYSA-N -1 3 354.168 0.445 10 0 FCAEHM Cn1nc(Br)cc1C(=O)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000297627706 489216160 /nfs/dbraw/zinc/21/61/60/489216160.db2.gz BYOQRIMEQPLAPG-UHFFFAOYSA-N -1 3 354.168 0.445 10 0 FCAEHM CC(C)(C)C(=O)N1CCC[C@@H](C(=O)Nc2[n-]nnc2C(=O)NC2CC2)C1 ZINC000297823263 489247220 /nfs/dbraw/zinc/24/72/20/489247220.db2.gz VCOYKJZIFUKFCM-SNVBAGLBSA-N -1 3 362.434 0.920 10 0 FCAEHM CC(C)(C)C(=O)N1CCC[C@@H](C(=O)Nc2nn[n-]c2C(=O)NC2CC2)C1 ZINC000297823263 489247222 /nfs/dbraw/zinc/24/72/22/489247222.db2.gz VCOYKJZIFUKFCM-SNVBAGLBSA-N -1 3 362.434 0.920 10 0 FCAEHM CC(C)(C)C(=O)N1CCC[C@@H](C(=O)Nc2n[n-]nc2C(=O)NC2CC2)C1 ZINC000297823263 489247223 /nfs/dbraw/zinc/24/72/23/489247223.db2.gz VCOYKJZIFUKFCM-SNVBAGLBSA-N -1 3 362.434 0.920 10 0 FCAEHM CCO[C@H](CS(=O)(=O)[N-]C[C@H](N1CCOCC1)C(F)(F)F)C1CC1 ZINC000625215097 492739658 /nfs/dbraw/zinc/73/96/58/492739658.db2.gz QXXLPTVGNMIPEA-OLZOCXBDSA-N -1 3 374.425 0.984 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CCN2C(=O)OC[C@@H]2C1 ZINC000369767601 489272143 /nfs/dbraw/zinc/27/21/43/489272143.db2.gz TZYSMGZUKPAXMI-JSGCOSHPSA-N -1 3 359.382 0.660 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000298128546 489294592 /nfs/dbraw/zinc/29/45/92/489294592.db2.gz KSUNEZFLMLFIFI-JTQLQIEISA-N -1 3 367.427 0.896 10 0 FCAEHM CC1=C[C@H](C)CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cn[nH]c2)C1 ZINC000349476992 489295307 /nfs/dbraw/zinc/29/53/07/489295307.db2.gz IALBQOLTKAMALY-NSHDSACASA-N -1 3 362.477 0.769 10 0 FCAEHM Cc1ncc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@H](C)[C@@H]2C)cn1 ZINC000349480375 489296427 /nfs/dbraw/zinc/29/64/27/489296427.db2.gz NBKKGOYAILXFGK-QWRGUYRKSA-N -1 3 362.477 0.587 10 0 FCAEHM CCn1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@H](C)[C@H]2C)cn1 ZINC000349482688 489297027 /nfs/dbraw/zinc/29/70/27/489297027.db2.gz PTQBVOGHTLSPRH-NWDGAFQWSA-N -1 3 364.493 0.705 10 0 FCAEHM Cc1n[nH]c(C)c1[N-]S(=O)(=O)CCCS(=O)(=O)N1CC[C@H](F)C1 ZINC000349513337 489304865 /nfs/dbraw/zinc/30/48/65/489304865.db2.gz XFANCPHYWXZCAD-NSHDSACASA-N -1 3 368.456 0.532 10 0 FCAEHM COCC[C@@](C)(O)CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000370046565 489309801 /nfs/dbraw/zinc/30/98/01/489309801.db2.gz KTEXRAFXOWOKFN-KBXCAEBGSA-N -1 3 350.415 0.901 10 0 FCAEHM CC(C)NC(=O)CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000298300227 489313922 /nfs/dbraw/zinc/31/39/22/489313922.db2.gz KHPFGJDEIOEKNQ-NSHDSACASA-N -1 3 359.423 0.523 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)Nc2c[nH]nc2-c2ccccn2)c1 ZINC000370271447 489338132 /nfs/dbraw/zinc/33/81/32/489338132.db2.gz UNROHCPDIYAKGJ-UHFFFAOYSA-N -1 3 361.387 0.122 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@@]3(CCCOC3)C2)cn1 ZINC000285989446 489342961 /nfs/dbraw/zinc/34/29/61/489342961.db2.gz PZMMDULCEFPPQK-HNNXBMFYSA-N -1 3 355.416 0.011 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@]3(CCCOC3)C2)cn1 ZINC000285989447 489343036 /nfs/dbraw/zinc/34/30/36/489343036.db2.gz PZMMDULCEFPPQK-OAHLLOKOSA-N -1 3 355.416 0.011 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cn(Cc3ccccc3)nn2)cn1 ZINC000555290075 491244330 /nfs/dbraw/zinc/24/43/30/491244330.db2.gz SNNJDTGKJFZAMF-UHFFFAOYSA-N -1 3 372.410 0.882 10 0 FCAEHM O=C1[N-]C(=O)[C@H](Cc2nc(Cc3ccc4c(c3)OC(F)(F)O4)no2)N1 ZINC000351425373 489356496 /nfs/dbraw/zinc/35/64/96/489356496.db2.gz GSKVGFIGVVRYKU-ZETCQYMHSA-N -1 3 352.253 0.732 10 0 FCAEHM O=C(C[C@]1(C(=O)[N-]O[C@@H]2CCCCO2)CC[NH2+]C1)[N-]O[C@@H]1CCCCO1 ZINC000361738730 489364647 /nfs/dbraw/zinc/36/46/47/489364647.db2.gz AXOUIKFMZIBVAK-BFYDXBDKSA-N -1 3 371.434 0.505 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CC[C@](C)(c3ccccc3)C2)c1 ZINC000361751466 489365285 /nfs/dbraw/zinc/36/52/85/489365285.db2.gz NGNPLCJCQBQFPE-KRWDZBQOSA-N -1 3 362.455 0.889 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CCO[C@@]2(CCCOC2)C1 ZINC000286416468 489389700 /nfs/dbraw/zinc/38/97/00/489389700.db2.gz QDADEMCHTNMGBP-AWEZNQCLSA-N -1 3 360.457 0.434 10 0 FCAEHM Cc1ncc(CNC(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)c(N)n1 ZINC000570597102 491252163 /nfs/dbraw/zinc/25/21/63/491252163.db2.gz QPVPGBGHHTYQSZ-MRVPVSSYSA-N -1 3 355.445 0.412 10 0 FCAEHM COC(=O)[C@H]1CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000299037487 489398608 /nfs/dbraw/zinc/39/86/08/489398608.db2.gz TYTCADOSEHJYEH-QWRGUYRKSA-N -1 3 358.391 0.514 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)nc1=N ZINC000555533324 491252785 /nfs/dbraw/zinc/25/27/85/491252785.db2.gz GPVVPPMOHDQURI-AAEUAGOBSA-N -1 3 358.402 0.533 10 0 FCAEHM C[C@@H](CN1CCOCC1)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000363085727 489422042 /nfs/dbraw/zinc/42/20/42/489422042.db2.gz HRDQQDHXUOACSX-GOEBONIOSA-N -1 3 361.442 0.834 10 0 FCAEHM COC[C@H]([N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C)[C@H]1CCCO1 ZINC000632287908 492966317 /nfs/dbraw/zinc/96/63/17/492966317.db2.gz AIAASJPPQLFQHB-VHSXEESVSA-N -1 3 357.354 0.911 10 0 FCAEHM CC(=O)Nc1ncc(S(=O)(=O)[N-]C[C@@H](O)Cc2ccccc2)s1 ZINC000286807661 489431804 /nfs/dbraw/zinc/43/18/04/489431804.db2.gz UDPCPEXAEYTMSJ-LBPRGKRZSA-N -1 3 355.441 0.983 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000363218551 489439647 /nfs/dbraw/zinc/43/96/47/489439647.db2.gz JPQYVHYISZOUMX-NSHDSACASA-N -1 3 370.331 0.952 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)NCCc2nc(C)no2)ccc1F ZINC000286961152 489446656 /nfs/dbraw/zinc/44/66/56/489446656.db2.gz BLIJDXLNLBNELJ-UHFFFAOYSA-N -1 3 357.367 0.789 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)NC[C@H](O)C(F)(F)F)ccc1F ZINC000287262167 489473867 /nfs/dbraw/zinc/47/38/67/489473867.db2.gz QFQJWERXXOCFPB-VIFPVBQESA-N -1 3 359.301 0.779 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)N[C@H]1CCc2[nH]cnc2C1 ZINC000371309352 489475705 /nfs/dbraw/zinc/47/57/05/489475705.db2.gz XCTDLOHERPCLAS-NSHDSACASA-N -1 3 366.418 0.891 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)N[C@H]1CCc2nc[nH]c2C1 ZINC000371309352 489475708 /nfs/dbraw/zinc/47/57/08/489475708.db2.gz XCTDLOHERPCLAS-NSHDSACASA-N -1 3 366.418 0.891 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)N2CC[C@@H](C(=O)OC)C2)ccc1F ZINC000287304439 489476314 /nfs/dbraw/zinc/47/63/14/489476314.db2.gz TWMHSVGMVMLSDA-SECBINFHSA-N -1 3 359.379 0.761 10 0 FCAEHM O=C(c1ccnc(N2CCCCC2)n1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000570664733 491256516 /nfs/dbraw/zinc/25/65/16/491256516.db2.gz LNOHKADFSWEIPC-QGZVFWFLSA-N -1 3 358.402 0.281 10 0 FCAEHM COC(=O)Cn1cc(S(=O)(=O)[N-]c2cc(C)nc3c2CCCC3)cn1 ZINC000414461312 489500004 /nfs/dbraw/zinc/50/00/04/489500004.db2.gz DJTCYCBZSRLGJX-UHFFFAOYSA-N -1 3 364.427 0.861 10 0 FCAEHM CCOc1ccncc1S(=O)(=O)[N-][C@@H]1CCOC[C@H]1OCCOC ZINC000451431922 489504067 /nfs/dbraw/zinc/50/40/67/489504067.db2.gz ZBSPAUOGOQMIIQ-TZMCWYRMSA-N -1 3 360.432 0.579 10 0 FCAEHM COC(=O)CCCc1nnc([N-]C(=O)c2cc(C(=O)OC)ccn2)s1 ZINC000415207695 489513996 /nfs/dbraw/zinc/51/39/96/489513996.db2.gz GAYQMNNWCNUPLY-UHFFFAOYSA-N -1 3 364.383 1.468 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C[C@@H]1CCCCN1CCO ZINC000451674390 489517449 /nfs/dbraw/zinc/51/74/49/489517449.db2.gz YMJRFGDZZAEHKA-ZDUSSCGKSA-N -1 3 374.459 0.808 10 0 FCAEHM C[C@@]1(c2cccc(C(=O)NC3CCC(C(N)=O)CC3)c2)NC(=O)[N-]C1=O ZINC000425915897 489549071 /nfs/dbraw/zinc/54/90/71/489549071.db2.gz FECYUVVSKRRSMC-BBFSEWIASA-N -1 3 358.398 0.515 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000372349547 489574211 /nfs/dbraw/zinc/57/42/11/489574211.db2.gz JQSWXEZUBASGMW-GWCFXTLKSA-N -1 3 350.806 0.881 10 0 FCAEHM COC(=O)CC[C@@H](CC1CCCCC1)NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000416280856 489576657 /nfs/dbraw/zinc/57/66/57/489576657.db2.gz ZUQQICNVVLWDSW-STQMWFEESA-N -1 3 353.419 0.993 10 0 FCAEHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]CC(=O)NCc3ccco3)cn21 ZINC000416373684 489585882 /nfs/dbraw/zinc/58/58/82/489585882.db2.gz MAOQEDUFLFALNT-LLVKDONJSA-N -1 3 352.416 0.968 10 0 FCAEHM C[C@H]1CCCc2nc(S(=O)(=O)[N-]CC(=O)NCC(F)(F)F)cn21 ZINC000416377391 489586635 /nfs/dbraw/zinc/58/66/35/489586635.db2.gz VMDIRAXSDYMCIL-QMMMGPOBSA-N -1 3 354.354 0.737 10 0 FCAEHM CC(C)NS(=O)(=O)CC[N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C ZINC000416381847 489587183 /nfs/dbraw/zinc/58/71/83/489587183.db2.gz IEBTZRAJUIJUPA-NSHDSACASA-N -1 3 364.493 0.387 10 0 FCAEHM COc1cc(S(=O)(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)ccc1Cl ZINC000416455191 489595098 /nfs/dbraw/zinc/59/50/98/489595098.db2.gz KBWZOVHFQPQJEY-JTQLQIEISA-N -1 3 359.791 0.273 10 0 FCAEHM CCOCCOC[C@H](O)C[N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C ZINC000416471620 489597555 /nfs/dbraw/zinc/59/75/55/489597555.db2.gz QNVZABZYLOLHHO-CHWSQXEVSA-N -1 3 361.464 0.473 10 0 FCAEHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](CO)c2ccnn2C)c1 ZINC000416555479 489609202 /nfs/dbraw/zinc/60/92/02/489609202.db2.gz XEDARNMCGZZKRN-GFCCVEGCSA-N -1 3 357.363 0.358 10 0 FCAEHM CCOC(=O)C[C@H]1C[C@@H](OC)CN1C(=O)CNC(=O)c1cccc([O-])c1 ZINC000427811115 489622184 /nfs/dbraw/zinc/62/21/84/489622184.db2.gz KVTAOCHDMBPCNI-UKRRQHHQSA-N -1 3 364.398 0.691 10 0 FCAEHM CS(=O)(=O)C1CN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000456970964 489630351 /nfs/dbraw/zinc/63/03/51/489630351.db2.gz MVEFPOXLYAEMFP-CYBMUJFWSA-N -1 3 352.412 0.252 10 0 FCAEHM Cc1cnc(CCNC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)cn1 ZINC000457172122 489639597 /nfs/dbraw/zinc/63/95/97/489639597.db2.gz NDVIBLKOEHEBRR-LBPRGKRZSA-N -1 3 366.418 0.950 10 0 FCAEHM CCOC(=O)[C@H](Cc1ccccn1)[N-]S(=O)(=O)c1cn(CC)cn1 ZINC000428415704 489647209 /nfs/dbraw/zinc/64/72/09/489647209.db2.gz YPMOLTGOMHFNRU-ZDUSSCGKSA-N -1 3 352.416 0.751 10 0 FCAEHM O=S(=O)(CCCN1CCOCC1)[N-][C@H](c1nc[nH]n1)c1ccccc1 ZINC000372878520 489647248 /nfs/dbraw/zinc/64/72/48/489647248.db2.gz NXICYPUAFKSGCS-HNNXBMFYSA-N -1 3 365.459 0.536 10 0 FCAEHM Cn1cnc(CCNC(=O)CC[N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000457890408 489662206 /nfs/dbraw/zinc/66/22/06/489662206.db2.gz VTZGLZVGZHVEAR-UHFFFAOYSA-N -1 3 372.397 0.726 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCC[C@](O)(CO)C1 ZINC000457913217 489663275 /nfs/dbraw/zinc/66/32/75/489663275.db2.gz KPOUUOZANDRAGU-GFCCVEGCSA-N -1 3 368.864 0.026 10 0 FCAEHM O=C(CNC(=O)[C@@H]1CCCOCC1)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC000429092176 489672727 /nfs/dbraw/zinc/67/27/27/489672727.db2.gz IZLBNMRWDAUOSY-SNVBAGLBSA-N -1 3 360.370 0.912 10 0 FCAEHM O=C(CNC(=O)[C@@H]1CCCOCC1)Nc1cccc2c(=O)[n-][nH]c(=O)c12 ZINC000429092176 489672730 /nfs/dbraw/zinc/67/27/30/489672730.db2.gz IZLBNMRWDAUOSY-SNVBAGLBSA-N -1 3 360.370 0.912 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C(=O)OC)c2ccn(C)n2)oc1C ZINC000469101516 489689850 /nfs/dbraw/zinc/68/98/50/489689850.db2.gz XDIQRBNMVANLPW-LBPRGKRZSA-N -1 3 371.371 0.301 10 0 FCAEHM Cn1ccc(NC(=O)C[N-]S(=O)(=O)N2CCC3(CCCCC3)CC2)n1 ZINC000375068493 489710767 /nfs/dbraw/zinc/71/07/67/489710767.db2.gz CQGXCMCILWUOAU-UHFFFAOYSA-N -1 3 369.491 1.239 10 0 FCAEHM COc1cc(F)ccc1N1CCN(C(=O)C(=O)[N-]c2cnns2)CC1 ZINC000430054051 489717817 /nfs/dbraw/zinc/71/78/17/489717817.db2.gz OJJQJXPXEWCKQH-UHFFFAOYSA-N -1 3 365.390 0.973 10 0 FCAEHM O=C(CNC(=O)COc1ccccc1)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000473904019 489742932 /nfs/dbraw/zinc/74/29/32/489742932.db2.gz VJPFMRUVDQYBFU-UHFFFAOYSA-N -1 3 366.381 0.924 10 0 FCAEHM O=C(CNC(=O)COc1ccccc1)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000473904019 489742938 /nfs/dbraw/zinc/74/29/38/489742938.db2.gz VJPFMRUVDQYBFU-UHFFFAOYSA-N -1 3 366.381 0.924 10 0 FCAEHM CN(CCCC(=O)[O-])CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000430668313 489764082 /nfs/dbraw/zinc/76/40/82/489764082.db2.gz HRVRYTCBWBSMCN-UHFFFAOYSA-N -1 3 351.359 0.903 10 0 FCAEHM COc1nc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)n[n-]1 ZINC000490707377 489781126 /nfs/dbraw/zinc/78/11/26/489781126.db2.gz CXHFAKPHBKXHFP-UHFFFAOYSA-N -1 3 365.415 0.853 10 0 FCAEHM COc1nnc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)[n-]1 ZINC000490707377 489781132 /nfs/dbraw/zinc/78/11/32/489781132.db2.gz CXHFAKPHBKXHFP-UHFFFAOYSA-N -1 3 365.415 0.853 10 0 FCAEHM COc1n[n-]c(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)n1 ZINC000490707377 489781138 /nfs/dbraw/zinc/78/11/38/489781138.db2.gz CXHFAKPHBKXHFP-UHFFFAOYSA-N -1 3 365.415 0.853 10 0 FCAEHM CS(=O)(=O)NCCCNC(=O)Cc1ccc(Br)cc1[O-] ZINC000431788834 489819082 /nfs/dbraw/zinc/81/90/82/489819082.db2.gz NQHLUBCJHACNNZ-UHFFFAOYSA-N -1 3 365.249 0.753 10 0 FCAEHM Cc1cc(=O)n(C)cc1[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000432206341 489833480 /nfs/dbraw/zinc/83/34/80/489833480.db2.gz GEBWEBMLKBZLGK-UHFFFAOYSA-N -1 3 356.425 0.898 10 0 FCAEHM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-][C@](C)(c1noc(C)n1)C1CC1 ZINC000432263759 489835409 /nfs/dbraw/zinc/83/54/09/489835409.db2.gz IMWYUEVIJDEIHL-DOMZBBRYSA-N -1 3 372.447 0.865 10 0 FCAEHM O=C1[N-]C(=O)N2CCN(C[C@H](O)Cc3ccccc3C(F)(F)F)C[C@H]12 ZINC000492726975 489836188 /nfs/dbraw/zinc/83/61/88/489836188.db2.gz DSZJPSXHUQIFPM-DGCLKSJQSA-N -1 3 357.332 0.845 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]c1ccc(-n2ncn(C)c2=O)cc1)C1CC1 ZINC000571047593 491282257 /nfs/dbraw/zinc/28/22/57/491282257.db2.gz YCOYUOIBZRRMBB-CQSZACIVSA-N -1 3 352.416 0.738 10 0 FCAEHM C[C@](O)(CO)CNC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000432356275 489839323 /nfs/dbraw/zinc/83/93/23/489839323.db2.gz HMEAEPRQTGQUFS-CQSZACIVSA-N -1 3 361.395 0.131 10 0 FCAEHM C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000377052699 489844659 /nfs/dbraw/zinc/84/46/59/489844659.db2.gz PZEUQKCQHYCLEJ-BWACUDIHSA-N -1 3 365.434 0.065 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)NC[C@@]1(CCO)CCOC1 ZINC000475828457 489852395 /nfs/dbraw/zinc/85/23/95/489852395.db2.gz QIGVLAIHJUVVRY-MRXNPFEDSA-N -1 3 374.434 0.399 10 0 FCAEHM C[C@]1(c2ccc(CNC(=O)NC[C@@H](CO)C3CC3)cc2)NC(=O)[N-]C1=O ZINC000460347341 489864128 /nfs/dbraw/zinc/86/41/28/489864128.db2.gz BWKNPVNRDMQTSM-SCLBCKFNSA-N -1 3 360.414 0.559 10 0 FCAEHM COC(=O)c1cccc2nc(NC(=O)CN(C)Cc3nnc(C)n3C)[n-]c21 ZINC000494097387 489869324 /nfs/dbraw/zinc/86/93/24/489869324.db2.gz UXRAKRMZMWIOTD-UHFFFAOYSA-N -1 3 371.401 0.857 10 0 FCAEHM COC(=O)c1cccc2[n-]c(NC(=O)CN(C)Cc3nnc(C)n3C)nc21 ZINC000494097387 489869325 /nfs/dbraw/zinc/86/93/25/489869325.db2.gz UXRAKRMZMWIOTD-UHFFFAOYSA-N -1 3 371.401 0.857 10 0 FCAEHM C[C@@H]1COCC[C@@H]1NC(=O)NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000433330087 489876137 /nfs/dbraw/zinc/87/61/37/489876137.db2.gz VZMRCQWELUJCMM-CDNVCLAFSA-N -1 3 360.414 0.965 10 0 FCAEHM COCCNC(=O)Cn1cc([N-]S(=O)(=O)N2CCC[C@H](C)C2)cn1 ZINC000460829294 489883797 /nfs/dbraw/zinc/88/37/97/489883797.db2.gz FATOCUUKWJHMEW-LBPRGKRZSA-N -1 3 359.452 0.034 10 0 FCAEHM CCN(Cc1ccccc1)S(=O)(=O)[N-]CC(=O)Nc1ccn(C)n1 ZINC000555949584 491285274 /nfs/dbraw/zinc/28/52/74/491285274.db2.gz SLLYGUOSUZHRQK-UHFFFAOYSA-N -1 3 351.432 0.715 10 0 FCAEHM C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000494465417 489892200 /nfs/dbraw/zinc/89/22/00/489892200.db2.gz VZUOQZRXJPVGGQ-GDAOTKPNSA-N -1 3 358.398 0.467 10 0 FCAEHM COCCOC[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000461034979 489894539 /nfs/dbraw/zinc/89/45/39/489894539.db2.gz YFDNXRYFLSPICW-RYUDHWBXSA-N -1 3 362.423 0.660 10 0 FCAEHM CN(CC(=O)NC(C)(C)C)C(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000494836919 489916643 /nfs/dbraw/zinc/91/66/43/489916643.db2.gz VYUGBXLDQXQMLH-SFHVURJKSA-N -1 3 360.414 0.728 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)Cc3ccc(C(N)=O)cc3)cc2n(C)c1=O ZINC000461612952 489921748 /nfs/dbraw/zinc/92/17/48/489921748.db2.gz KESWFZIOJMHGHI-UHFFFAOYSA-N -1 3 354.366 0.863 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)NCc1nc(CO)cs1 ZINC000476932452 489925932 /nfs/dbraw/zinc/92/59/32/489925932.db2.gz KXDWUYZELHTFAX-UHFFFAOYSA-N -1 3 372.406 0.523 10 0 FCAEHM COC(=O)C[C@](C)(NC(=O)CN1CC(=O)[N-]C1=O)c1cccc(OC)c1 ZINC000495182595 489929294 /nfs/dbraw/zinc/92/92/94/489929294.db2.gz HFXVXNJIOJBFEG-KRWDZBQOSA-N -1 3 363.370 0.142 10 0 FCAEHM CNC(=O)c1cccc(NC(=O)[C@H](C)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000434799983 489957495 /nfs/dbraw/zinc/95/74/95/489957495.db2.gz YKCBWJUIRSCINA-VOJFVSQTSA-N -1 3 373.413 0.047 10 0 FCAEHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@H](O)C1(C)C ZINC000462137607 489960207 /nfs/dbraw/zinc/96/02/07/489960207.db2.gz GMRMCIKAJMGJDW-CYBMUJFWSA-N -1 3 362.473 0.519 10 0 FCAEHM Cc1[nH]c2ccnn2c(=O)c1CC(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000435713436 490005596 /nfs/dbraw/zinc/00/55/96/490005596.db2.gz DGRREKBPGNGBMY-UHFFFAOYSA-N -1 3 352.358 0.636 10 0 FCAEHM Cc1[nH]c2ccnn2c(=O)c1CC(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000435713436 490005597 /nfs/dbraw/zinc/00/55/97/490005597.db2.gz DGRREKBPGNGBMY-UHFFFAOYSA-N -1 3 352.358 0.636 10 0 FCAEHM CNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000436626133 490010187 /nfs/dbraw/zinc/01/01/87/490010187.db2.gz OBPSSVXVIIYMEO-AWEZNQCLSA-N -1 3 360.414 0.480 10 0 FCAEHM CC1(C)Cc2ccc(C(=O)N3CC(n4cc(C(N)=O)nn4)C3)c([O-])c2O1 ZINC000436935634 490016085 /nfs/dbraw/zinc/01/60/85/490016085.db2.gz KYMLMCAVFFEBTA-UHFFFAOYSA-N -1 3 357.370 0.493 10 0 FCAEHM Cc1ccc2c([O-])c(C(=O)N(C)C[C@@H](O)CN3CCOCC3)cnc2n1 ZINC000478431857 490019248 /nfs/dbraw/zinc/01/92/48/490019248.db2.gz WPYVZWGOBQQCBP-CYBMUJFWSA-N -1 3 360.414 0.409 10 0 FCAEHM CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000378186774 490024907 /nfs/dbraw/zinc/02/49/07/490024907.db2.gz YUZAMHDAZRMKHJ-QGZVFWFLSA-N -1 3 368.437 0.907 10 0 FCAEHM C[C@@]1(c2ccc(C(=O)NCCCCN3CCOCC3)cc2)NC(=O)[N-]C1=O ZINC000478753149 490035482 /nfs/dbraw/zinc/03/54/82/490035482.db2.gz JXLKLEJIZMUERK-IBGZPJMESA-N -1 3 374.441 0.583 10 0 FCAEHM COCCOC1CN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000478826999 490041256 /nfs/dbraw/zinc/04/12/56/490041256.db2.gz YIGURMUXGMJMIW-NSHDSACASA-N -1 3 360.407 0.366 10 0 FCAEHM CCO[C@@H]1C[C@@]([N-]S(=O)(=O)N(C)CCOC)(C(=O)OC)C1(C)C ZINC000444274386 490079126 /nfs/dbraw/zinc/07/91/26/490079126.db2.gz AWHXKPSINHRMFG-BXUZGUMPSA-N -1 3 352.453 0.146 10 0 FCAEHM Cn1cc([C@@]2(C)CN(C(=O)c3cnc4c(cnn4C)c3[O-])CCO2)cn1 ZINC000378371551 490057094 /nfs/dbraw/zinc/05/70/94/490057094.db2.gz RURWWBOMOCETEO-QGZVFWFLSA-N -1 3 356.386 0.795 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(C[C@H](O)CO)C(C)C ZINC000421299207 490071019 /nfs/dbraw/zinc/07/10/19/490071019.db2.gz GVFAGTLQAOYLRB-NSHDSACASA-N -1 3 372.443 0.762 10 0 FCAEHM CCOC(=O)c1sc([C@@H](C)NC(=O)CN2CC(=O)[N-]C2=O)nc1C ZINC000465122119 490083662 /nfs/dbraw/zinc/08/36/62/490083662.db2.gz RSTYNZQPPBPSQC-MRVPVSSYSA-N -1 3 354.388 0.357 10 0 FCAEHM C[C@H](CNC(=O)Cc1ccc(Br)cc1[O-])S(N)(=O)=O ZINC000495725974 490089864 /nfs/dbraw/zinc/08/98/64/490089864.db2.gz DKIGBBMVMWBEMI-SSDOTTSWSA-N -1 3 351.222 0.490 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2[C@@H]3COC[C@@H]32)cc1F ZINC000519856854 490100043 /nfs/dbraw/zinc/10/00/43/490100043.db2.gz AARVQPNNYCLZBN-GDGBQDQQSA-N -1 3 350.393 0.120 10 0 FCAEHM CC1(C)CN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C[C@@H](CO)O1 ZINC000421931810 490115858 /nfs/dbraw/zinc/11/58/58/490115858.db2.gz JBQSVPBOOLZHSH-DZGCQCFKSA-N -1 3 362.426 0.995 10 0 FCAEHM COC(=O)[C@@H](C)CS(=O)(=O)[N-][C@H]1CCCN(c2cccnc2)C1=O ZINC000378652566 490123965 /nfs/dbraw/zinc/12/39/65/490123965.db2.gz VHVDGSDWALITFB-AAEUAGOBSA-N -1 3 355.416 0.306 10 0 FCAEHM C[C@H](NC(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1)c1cn(-c2ccccc2)nn1 ZINC000545433866 490135832 /nfs/dbraw/zinc/13/58/32/490135832.db2.gz LVRFNKZEGOZZRO-SMDDNHRTSA-N -1 3 369.385 0.274 10 0 FCAEHM Cc1nc(CNC(=O)NCc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)no1 ZINC000465836207 490144280 /nfs/dbraw/zinc/14/42/80/490144280.db2.gz FZRYDYMSGDYNJA-MRXNPFEDSA-N -1 3 358.358 0.432 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]CCN1CCOC[C@@H]1C ZINC000564353746 491302728 /nfs/dbraw/zinc/30/27/28/491302728.db2.gz CFWNVJJEEQOAEY-JTQLQIEISA-N -1 3 360.432 0.682 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)NCC[C@@H](C)F)s1 ZINC000507046596 490166268 /nfs/dbraw/zinc/16/62/68/490166268.db2.gz UBALFWNJECCDCI-SECBINFHSA-N -1 3 365.452 0.527 10 0 FCAEHM CN(C)c1nc(C(=O)NCCNc2nccc(C(F)(F)F)n2)cc(=O)[n-]1 ZINC000545913040 490166612 /nfs/dbraw/zinc/16/66/12/490166612.db2.gz GFIFKWWCTWWHHG-UHFFFAOYSA-N -1 3 371.323 0.899 10 0 FCAEHM Cc1nc(C[N-]S(=O)(=O)c2ccc(OCc3ncnn3C)cc2)no1 ZINC000447024490 490183819 /nfs/dbraw/zinc/18/38/19/490183819.db2.gz XUKKZTDIQXIOPV-UHFFFAOYSA-N -1 3 364.387 0.564 10 0 FCAEHM CS(=O)(=O)[N-]c1cc(NC(=O)CNC(=O)c2cccnc2)ccc1F ZINC000480445875 490191932 /nfs/dbraw/zinc/19/19/32/490191932.db2.gz XHTRDPRNUKGFBJ-UHFFFAOYSA-N -1 3 366.374 0.961 10 0 FCAEHM Cc1c[nH]c(=O)n1-c1cccc(-c2noc(CN3CC(=O)[N-]C3=O)n2)c1 ZINC000546359886 490212150 /nfs/dbraw/zinc/21/21/50/490212150.db2.gz KIRVAOXQRXVLRH-UHFFFAOYSA-N -1 3 354.326 0.988 10 0 FCAEHM O=C(c1ccccc1)N1CCC[C@H]1C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000408033580 490219781 /nfs/dbraw/zinc/21/97/81/490219781.db2.gz OALQKYZBBHSZRF-KBPBESRZSA-N -1 3 356.382 0.054 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)c(C)o1 ZINC000408052788 490231426 /nfs/dbraw/zinc/23/14/26/490231426.db2.gz RFJYYIUWFVLHKO-BNOWGMLFSA-N -1 3 372.443 0.498 10 0 FCAEHM CC(=O)N1CCN(C(=O)NCC[N-]S(=O)(=O)c2cccs2)[C@@H](C)C1 ZINC000533477690 490243249 /nfs/dbraw/zinc/24/32/49/490243249.db2.gz NNHGOBLNMVDTRP-NSHDSACASA-N -1 3 374.488 0.289 10 0 FCAEHM CCn1cc(-c2n[nH]cc2C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cn1 ZINC000447750010 490265147 /nfs/dbraw/zinc/26/51/47/490265147.db2.gz GNYZQQBUJQGRDB-INIZCTEOSA-N -1 3 357.374 0.107 10 0 FCAEHM C[C@@H]1CCN(C(=O)c2cn(C)c(=O)[n-]c2=O)C[C@@H]1C(=O)OC(C)(C)C ZINC000571524781 491313486 /nfs/dbraw/zinc/31/34/86/491313486.db2.gz COMLWRCCMPQPIE-MNOVXSKESA-N -1 3 351.403 0.926 10 0 FCAEHM CCC[C@@H](C)[C@H](CO)NC(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000571530691 491313958 /nfs/dbraw/zinc/31/39/58/491313958.db2.gz WMSNIBRGWRQAAZ-YPMHNXCESA-N -1 3 360.480 0.310 10 0 FCAEHM CCc1nnc(CNC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)o1 ZINC000571564105 491315948 /nfs/dbraw/zinc/31/59/48/491315948.db2.gz CMNDRCPSHPZUHO-UHFFFAOYSA-N -1 3 364.836 0.942 10 0 FCAEHM C[C@H]1CCCN(S(=O)(=O)[N-][C@H]2CCCN(c3ccnn3C)C2=O)C1 ZINC000408386173 490322826 /nfs/dbraw/zinc/32/28/26/490322826.db2.gz NZJUHUZRYPTMHZ-STQMWFEESA-N -1 3 355.464 0.482 10 0 FCAEHM O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)[C@H]1CN2CCN1CCC2 ZINC000408409729 490329868 /nfs/dbraw/zinc/32/98/68/490329868.db2.gz CCBVJSCUTQPTQF-QGZVFWFLSA-N -1 3 372.469 0.503 10 0 FCAEHM O=C(c1ccco1)N1CCCC[C@H]1C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000408453814 490341350 /nfs/dbraw/zinc/34/13/50/490341350.db2.gz TTYVWVUWBSRAGH-SGTLLEGYSA-N -1 3 374.397 0.475 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC000534278895 490342729 /nfs/dbraw/zinc/34/27/29/490342729.db2.gz WTNOXTCHEJXDFB-LBPRGKRZSA-N -1 3 364.789 0.109 10 0 FCAEHM CCn1cc(S(=O)(=O)[N-]Cc2cccc(N3CCOCC3)n2)nc1C ZINC000547823383 490363613 /nfs/dbraw/zinc/36/36/13/490363613.db2.gz YGMZKHZMZZIVTA-UHFFFAOYSA-N -1 3 365.459 0.922 10 0 FCAEHM O=C(NCCC1CCS(=O)(=O)CC1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000508969906 490376327 /nfs/dbraw/zinc/37/63/27/490376327.db2.gz ZBEXQRREPWTVQC-UHFFFAOYSA-N -1 3 350.396 0.515 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)N(C)Cc2ccc[nH]2)ccc1F ZINC000499063132 490384624 /nfs/dbraw/zinc/38/46/24/490384624.db2.gz JHIMKCSPIVVCKL-UHFFFAOYSA-N -1 3 368.390 0.659 10 0 FCAEHM CN(Cc1cc(=O)[n-]c(N)n1)[C@@H]1CCN(C(=O)c2cccc3c2OCO3)C1 ZINC000509133086 490392423 /nfs/dbraw/zinc/39/24/23/490392423.db2.gz WEMHTLMJGZQPHS-GFCCVEGCSA-N -1 3 371.397 0.840 10 0 FCAEHM CN1CCN(c2cc(C(=O)NC3(c4nnn[n-]4)CCCC3)ccn2)CC1 ZINC000522854517 490412943 /nfs/dbraw/zinc/41/29/43/490412943.db2.gz MCNVPBYZYPOAPQ-UHFFFAOYSA-N -1 3 356.434 0.546 10 0 FCAEHM CN1CCN(c2cc(C(=O)NC3(c4nn[n-]n4)CCCC3)ccn2)CC1 ZINC000522854517 490412945 /nfs/dbraw/zinc/41/29/45/490412945.db2.gz MCNVPBYZYPOAPQ-UHFFFAOYSA-N -1 3 356.434 0.546 10 0 FCAEHM CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)c2cccc([O-])c2)c1 ZINC000509304639 490414093 /nfs/dbraw/zinc/41/40/93/490414093.db2.gz KXXMODITTWTAFE-UHFFFAOYSA-N -1 3 363.395 0.669 10 0 FCAEHM CN(C)c1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C(N)=O)c2)cc1 ZINC000509392153 490423260 /nfs/dbraw/zinc/42/32/60/490423260.db2.gz NPNMKUOLPFGKNA-UHFFFAOYSA-N -1 3 362.411 0.977 10 0 FCAEHM CN(C)c1ncc(C[N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)n1C ZINC000522982439 490425305 /nfs/dbraw/zinc/42/53/05/490425305.db2.gz LRZICLOBWDBBHX-UHFFFAOYSA-N -1 3 372.472 0.368 10 0 FCAEHM CCOc1nc2cc(C(=O)NCC(=O)N3CCC[C@@H]3C(=O)NC)ccc2[n-]1 ZINC000449842651 490432438 /nfs/dbraw/zinc/43/24/38/490432438.db2.gz DJGCRTKBETZOQM-CQSZACIVSA-N -1 3 373.413 0.428 10 0 FCAEHM CCOc1nc2ccc(C(=O)NCC(=O)N3CCC[C@@H]3C(=O)NC)cc2[n-]1 ZINC000449842651 490432445 /nfs/dbraw/zinc/43/24/45/490432445.db2.gz DJGCRTKBETZOQM-CQSZACIVSA-N -1 3 373.413 0.428 10 0 FCAEHM CCOc1nc2ccc(C(=O)N3CCC[C@@H]3CS(N)(=O)=O)cc2[n-]1 ZINC000449856282 490432569 /nfs/dbraw/zinc/43/25/69/490432569.db2.gz MODCBEDOMAJIPX-LLVKDONJSA-N -1 3 352.416 0.855 10 0 FCAEHM CCOc1nc2cc(C(=O)N3CCC[C@@H]3CS(N)(=O)=O)ccc2[n-]1 ZINC000449856282 490432575 /nfs/dbraw/zinc/43/25/75/490432575.db2.gz MODCBEDOMAJIPX-LLVKDONJSA-N -1 3 352.416 0.855 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000535007780 490435170 /nfs/dbraw/zinc/43/51/70/490435170.db2.gz KAKHAADFRIOULJ-ZDUSSCGKSA-N -1 3 362.361 0.601 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CCCNC(=O)C1CCC1 ZINC000484757482 490463739 /nfs/dbraw/zinc/46/37/39/490463739.db2.gz DUBQALMDDJVFTG-UHFFFAOYSA-N -1 3 374.484 0.675 10 0 FCAEHM C[C@@H](O)CN(C)S(=O)(=O)c1cccc(S(=O)(=O)[N-]CC(F)F)c1 ZINC000571776944 491328288 /nfs/dbraw/zinc/32/82/88/491328288.db2.gz NGOHWIBGAFANRY-SECBINFHSA-N -1 3 372.415 0.231 10 0 FCAEHM CCOC(=O)c1cn[n-]c1S(=O)(=O)N(C)c1ncc(C(=O)OC)s1 ZINC000468942246 490467730 /nfs/dbraw/zinc/46/77/30/490467730.db2.gz LMLBJJYHDSMOJB-UHFFFAOYSA-N -1 3 374.400 0.655 10 0 FCAEHM CCOC(=O)c1c[n-]nc1S(=O)(=O)N(C)c1ncc(C(=O)OC)s1 ZINC000468942246 490467738 /nfs/dbraw/zinc/46/77/38/490467738.db2.gz LMLBJJYHDSMOJB-UHFFFAOYSA-N -1 3 374.400 0.655 10 0 FCAEHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](C(=O)OC)c1ccn(C)n1 ZINC000468983000 490472360 /nfs/dbraw/zinc/47/23/60/490472360.db2.gz PQGMRZKZKGCKEX-SNVBAGLBSA-N -1 3 373.412 0.461 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H]2CCOC[C@H]2C)ccc1F ZINC000500358856 490508289 /nfs/dbraw/zinc/50/82/89/490508289.db2.gz KDBJXQLROUIWRG-BXKDBHETSA-N -1 3 373.406 0.214 10 0 FCAEHM O=C([C@@H](OC1CCOCC1)c1ccccc1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000535725809 490517782 /nfs/dbraw/zinc/51/77/82/490517782.db2.gz MYJGPDDYAHMNGJ-HOTGVXAUSA-N -1 3 373.409 0.686 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]CCCN2C(=O)c3ccccc3C2=O)c1 ZINC000510517942 490523573 /nfs/dbraw/zinc/52/35/73/490523573.db2.gz BOGVWJCWVVRODZ-UHFFFAOYSA-N -1 3 362.411 0.868 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@@H](C(C)C)C(F)(F)F)cn1C ZINC000413982026 490528331 /nfs/dbraw/zinc/52/83/31/490528331.db2.gz DTFLOLBCQTWNFN-NSHDSACASA-N -1 3 356.370 0.710 10 0 FCAEHM Cn1cc(OCC(=O)Nc2cc(N3CCCS3(=O)=O)ccc2[O-])cn1 ZINC000548801851 490542703 /nfs/dbraw/zinc/54/27/03/490542703.db2.gz GDEGAYGKQGJKNO-UHFFFAOYSA-N -1 3 366.399 0.683 10 0 FCAEHM O=C(c1cnn(-c2cccc(Cl)c2)c1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000485842113 490563665 /nfs/dbraw/zinc/56/36/65/490563665.db2.gz IJYLFMLFDCJYSB-ZDUSSCGKSA-N -1 3 359.773 0.902 10 0 FCAEHM C[C@@](O)(CO)CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000549090351 490564084 /nfs/dbraw/zinc/56/40/84/490564084.db2.gz WNBJWUJTPQKZEL-AWEZNQCLSA-N -1 3 355.188 0.764 10 0 FCAEHM CCOC(=O)CC[C@@H](C)NC(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000536372662 490573394 /nfs/dbraw/zinc/57/33/94/490573394.db2.gz YPCQJRLMNBAFFM-LLVKDONJSA-N -1 3 374.463 0.245 10 0 FCAEHM CN(C)c1nc(C(=O)Nc2nc(CN3CCOCC3)cs2)cc(=O)[n-]1 ZINC000549552143 490588838 /nfs/dbraw/zinc/58/88/38/490588838.db2.gz IZGDJBJTOQYTGL-UHFFFAOYSA-N -1 3 364.431 0.789 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCc1cccc(CO)n1 ZINC000549712792 490595683 /nfs/dbraw/zinc/59/56/83/490595683.db2.gz DWGUDLLPBRGALW-JTQLQIEISA-N -1 3 355.441 0.619 10 0 FCAEHM Cc1cnn(Cc2cc(C(=O)N3CCC[C@H]3c3nc(=N)n(C)[n-]3)no2)c1 ZINC000549724882 490596555 /nfs/dbraw/zinc/59/65/55/490596555.db2.gz PYIXXGRLGAMAJD-ZDUSSCGKSA-N -1 3 356.390 0.746 10 0 FCAEHM CCn1cncc1S(=O)(=O)N1CCC[C@H]1C[C@@]1(C)NC(=O)[N-]C1=O ZINC000556818612 491338965 /nfs/dbraw/zinc/33/89/65/491338965.db2.gz OLTDOQYOBVFWNZ-IINYFYTJSA-N -1 3 355.420 0.044 10 0 FCAEHM CC(C)(C)OC(=O)C[N-]S(=O)(=O)C1CN(C(=O)c2ccccc2)C1 ZINC000501474421 490606812 /nfs/dbraw/zinc/60/68/12/490606812.db2.gz DVPUKJMOLNUJKA-UHFFFAOYSA-N -1 3 354.428 0.772 10 0 FCAEHM C[C@H]1CCCN(S(=O)(=O)Nc2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)C1 ZINC000536700566 490608335 /nfs/dbraw/zinc/60/83/35/490608335.db2.gz UUHJCBWCTVMQSW-FZMZJTMJSA-N -1 3 366.443 0.826 10 0 FCAEHM O=C(CNC(=O)c1ccc([O-])cc1)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000549816224 490609354 /nfs/dbraw/zinc/60/93/54/490609354.db2.gz SVQVBBIEIRCHAH-WMLDXEAASA-N -1 3 362.426 0.806 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)N2CCN(C3CC3)C(=O)C2)ccc1F ZINC000486353159 490612914 /nfs/dbraw/zinc/61/29/14/490612914.db2.gz ZXDZXARNWSZNCJ-UHFFFAOYSA-N -1 3 370.406 0.572 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H]2C[C@H]2C2CC2)ccc1F ZINC000501539478 490613939 /nfs/dbraw/zinc/61/39/39/490613939.db2.gz UIQAGHJMLQJFTK-CMPLNLGQSA-N -1 3 355.391 0.587 10 0 FCAEHM Cc1ncc(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c(N)n1 ZINC000556844134 491340585 /nfs/dbraw/zinc/34/05/85/491340585.db2.gz PSUZTQKLUAUSPN-CQSZACIVSA-N -1 3 355.398 0.994 10 0 FCAEHM Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000536933829 490625364 /nfs/dbraw/zinc/62/53/64/490625364.db2.gz OOPBPCFISRLGQT-JSGCOSHPSA-N -1 3 355.398 0.934 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)N2CCC(C(=O)NC)CC2)ccc1F ZINC000486448697 490627874 /nfs/dbraw/zinc/62/78/74/490627874.db2.gz QUZATCQBCKJCKO-UHFFFAOYSA-N -1 3 372.422 0.724 10 0 FCAEHM CN(C1(C)CCCC1)S(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000486990232 490685027 /nfs/dbraw/zinc/68/50/27/490685027.db2.gz WKCYNIDFZAPTDL-UHFFFAOYSA-N -1 3 352.416 0.987 10 0 FCAEHM Cc1cc(NC(=O)C(=O)NCc2ncccc2[O-])ccc1-n1cnnn1 ZINC000526939917 490686314 /nfs/dbraw/zinc/68/63/14/490686314.db2.gz UXOOKSWTEDFFIX-UHFFFAOYSA-N -1 3 353.342 0.326 10 0 FCAEHM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000487345640 490707095 /nfs/dbraw/zinc/70/70/95/490707095.db2.gz YXIFMTBZUMCHNZ-BDAKNGLRSA-N -1 3 364.370 0.699 10 0 FCAEHM CN(CCNC(=O)C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1)C1CC1 ZINC000572159270 491353188 /nfs/dbraw/zinc/35/31/88/491353188.db2.gz CTIXWWWZIFQFRS-CVEARBPZSA-N -1 3 359.426 0.524 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)Nc2ccc3c(c2)CCCO3)cn1C ZINC000513328282 490722982 /nfs/dbraw/zinc/72/29/82/490722982.db2.gz VUODTRJKNBLKBC-UHFFFAOYSA-N -1 3 364.427 0.971 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CO)c2ccnn2C)c(F)c1 ZINC000572133207 491350686 /nfs/dbraw/zinc/35/06/86/491350686.db2.gz DPBMNQJVJFKVOE-NSHDSACASA-N -1 3 357.363 0.358 10 0 FCAEHM C[C@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)C1(S(C)(=O)=O)CC1 ZINC000513547650 490737389 /nfs/dbraw/zinc/73/73/89/490737389.db2.gz FASSSQWVPMCVSM-QMMMGPOBSA-N -1 3 351.384 0.657 10 0 FCAEHM Cc1cc(COCC(=O)Nc2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)on1 ZINC000513631748 490741017 /nfs/dbraw/zinc/74/10/17/490741017.db2.gz GTSHVHLJOYOMLP-AWEZNQCLSA-N -1 3 358.354 0.889 10 0 FCAEHM COC(=O)c1ccc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)c(OC(F)F)c1 ZINC000539123557 490763424 /nfs/dbraw/zinc/76/34/24/490763424.db2.gz RBNPCGOFVJXBMR-QMMMGPOBSA-N -1 3 357.269 0.611 10 0 FCAEHM COC(=O)c1cccc2nc(NC(=O)CN3C(=O)NC(C)(C)C3=O)[n-]c21 ZINC000503591057 490764903 /nfs/dbraw/zinc/76/49/03/490764903.db2.gz OXIIWOWZHQXMAL-UHFFFAOYSA-N -1 3 359.342 0.618 10 0 FCAEHM COC(=O)c1cccc2[n-]c(NC(=O)CN3C(=O)NC(C)(C)C3=O)nc21 ZINC000503591057 490764907 /nfs/dbraw/zinc/76/49/07/490764907.db2.gz OXIIWOWZHQXMAL-UHFFFAOYSA-N -1 3 359.342 0.618 10 0 FCAEHM CN(C)c1ncc(NC(=O)c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)cn1 ZINC000503676620 490770362 /nfs/dbraw/zinc/77/03/62/490770362.db2.gz LEVVMHBVKQCHPB-QGZVFWFLSA-N -1 3 354.370 0.850 10 0 FCAEHM CCn1ncc(C[N-]S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)n1 ZINC000528445648 490798431 /nfs/dbraw/zinc/79/84/31/490798431.db2.gz HKVPMRIYGGVSOH-UHFFFAOYSA-N -1 3 362.408 0.319 10 0 FCAEHM COc1ccccc1COC1CCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)CC1 ZINC000539926401 490801382 /nfs/dbraw/zinc/80/13/82/490801382.db2.gz HYRDTZJHPIEFOA-AWEZNQCLSA-N -1 3 361.398 0.801 10 0 FCAEHM COCCOc1ccc(F)cc1S(=O)(=O)[N-]C[C@H](O)[C@@H]1CCCO1 ZINC000528486926 490802801 /nfs/dbraw/zinc/80/28/01/490802801.db2.gz LEYKJHYZYOYMKB-STQMWFEESA-N -1 3 363.407 0.669 10 0 FCAEHM O=C1CCc2cc(S(=O)(=O)[N-]C[C@@H](O)[C@@H]3CCCO3)c(F)cc2N1 ZINC000528495386 490803811 /nfs/dbraw/zinc/80/38/11/490803811.db2.gz ZFDRMPBRBRUJPH-OLZOCXBDSA-N -1 3 358.391 0.529 10 0 FCAEHM CCS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2nc(=N)n(C)[n-]2)cc1 ZINC000515314840 490817962 /nfs/dbraw/zinc/81/79/62/490817962.db2.gz QOPCJOVITZAGBC-ZDUSSCGKSA-N -1 3 363.443 0.999 10 0 FCAEHM CN1CCN(c2cc(C(=O)N3CCC[C@@H](c4nnn[n-]4)C3)ccn2)CC1 ZINC000540423127 490821381 /nfs/dbraw/zinc/82/13/81/490821381.db2.gz JASFZESXYOWSMT-CQSZACIVSA-N -1 3 356.434 0.366 10 0 FCAEHM CN1CCN(c2cc(C(=O)N3CCC[C@@H](c4nn[n-]n4)C3)ccn2)CC1 ZINC000540423127 490821384 /nfs/dbraw/zinc/82/13/84/490821384.db2.gz JASFZESXYOWSMT-CQSZACIVSA-N -1 3 356.434 0.366 10 0 FCAEHM CC[C@H]1[C@H](CO)CCN1C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000515481287 490828342 /nfs/dbraw/zinc/82/83/42/490828342.db2.gz BYZGCKORIOJUIL-RYUDHWBXSA-N -1 3 361.489 0.829 10 0 FCAEHM CNC(=O)NC[C@H]1CN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)CCO1 ZINC000529742385 490870710 /nfs/dbraw/zinc/87/07/10/490870710.db2.gz VDPYVGWSAOLVJB-LBPRGKRZSA-N -1 3 363.414 0.876 10 0 FCAEHM COc1ccc(CN2CC[C@@H]2CNC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)cc1 ZINC000529835744 490878626 /nfs/dbraw/zinc/87/86/26/490878626.db2.gz KUMZEVZBYAPMPS-GFCCVEGCSA-N -1 3 374.397 0.909 10 0 FCAEHM C[C@H](CNC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)N1CCCCC1=O ZINC000530296109 490898245 /nfs/dbraw/zinc/89/82/45/490898245.db2.gz RPECACALEFONIB-CWTRNNRKSA-N -1 3 372.425 0.872 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c(F)c1 ZINC000530482556 490908202 /nfs/dbraw/zinc/90/82/02/490908202.db2.gz RGGIBAIYEVLPTM-IRUJWGPZSA-N -1 3 370.402 0.900 10 0 FCAEHM Nc1ncc2c(n1)CCN(C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])C2 ZINC000517675246 490916124 /nfs/dbraw/zinc/91/61/24/490916124.db2.gz GYALCCYCHKWHMS-OAHLLOKOSA-N -1 3 367.409 0.954 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1ccc(N2CCOCC2)c2ccncc12 ZINC000517705629 490917279 /nfs/dbraw/zinc/91/72/79/490917279.db2.gz RHAKMGSXCPENNF-UHFFFAOYSA-N -1 3 369.381 0.562 10 0 FCAEHM CC(C)(NC(=O)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(N)=O ZINC000517745962 490919286 /nfs/dbraw/zinc/91/92/86/490919286.db2.gz PBXGMUKPXMSKIS-UHFFFAOYSA-N -1 3 367.349 0.364 10 0 FCAEHM CN1C(=O)CC[C@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1=O ZINC000572357843 491364777 /nfs/dbraw/zinc/36/47/77/491364777.db2.gz LFUYBNJJGNCOSA-STQMWFEESA-N -1 3 359.382 0.260 10 0 FCAEHM O=C(CNC(=O)c1ccc([O-])cc1)N1CCCC[C@@H]1CN1CCOCC1 ZINC000530882036 490929705 /nfs/dbraw/zinc/92/97/05/490929705.db2.gz VVTJYEAYRPJSPJ-MRXNPFEDSA-N -1 3 361.442 0.835 10 0 FCAEHM NC(=O)C1CCC(NC(=O)CC[N-]S(=O)(=O)c2ccccc2F)CC1 ZINC000518227660 490934163 /nfs/dbraw/zinc/93/41/63/490934163.db2.gz NKTSMXRHPOIEED-UHFFFAOYSA-N -1 3 371.434 0.654 10 0 FCAEHM CCN(CC(=O)OC)C(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2C ZINC000518469892 490942444 /nfs/dbraw/zinc/94/24/44/490942444.db2.gz AUCLRFOQBAYCKF-UHFFFAOYSA-N -1 3 360.370 0.547 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)Nc2cccc(CCCO)c2)cn1C ZINC000543844153 490949476 /nfs/dbraw/zinc/94/94/76/490949476.db2.gz GGRQZHBCGVROMQ-UHFFFAOYSA-N -1 3 366.443 0.570 10 0 FCAEHM C[C@H](CN1CCOCC1)C(=O)Nc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000544027465 490955696 /nfs/dbraw/zinc/95/56/96/490955696.db2.gz WYVOWFSIFPYESQ-XIKOKIGWSA-N -1 3 360.414 0.648 10 0 FCAEHM CC(=O)N1CC[C@H](CNC(=O)C[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000518990705 490958210 /nfs/dbraw/zinc/95/82/10/490958210.db2.gz NBFHHOXSTMPXBM-GFCCVEGCSA-N -1 3 357.407 0.089 10 0 FCAEHM C[C@@]1(c2ccc(CNC(=O)NCC[C@H]3CCOC3)cc2)NC(=O)[N-]C1=O ZINC000544249360 490962894 /nfs/dbraw/zinc/96/28/94/490962894.db2.gz IFFNSQHFEJKARL-UGSOOPFHSA-N -1 3 360.414 0.967 10 0 FCAEHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCNC(=O)CC2)c1 ZINC000544487675 490969691 /nfs/dbraw/zinc/96/96/91/490969691.db2.gz IICDGRDMMWZYTE-UHFFFAOYSA-N -1 3 358.354 0.903 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CC[C@H](C(C)(C)C)[C@H](O)C2)cn1C ZINC000544656632 490974702 /nfs/dbraw/zinc/97/47/02/490974702.db2.gz SNCJGTZZSZBUSB-QWHCGFSZSA-N -1 3 372.491 0.262 10 0 FCAEHM CC(C)(CS(C)(=O)=O)[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000544727269 490977834 /nfs/dbraw/zinc/97/78/34/490977834.db2.gz FZNZQZJRXCVTQB-UHFFFAOYSA-N -1 3 369.486 0.192 10 0 FCAEHM COCCOc1cccc(CNC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)c1 ZINC000544778479 490980834 /nfs/dbraw/zinc/98/08/34/490980834.db2.gz DCXBKNRHPALNMN-CQSZACIVSA-N -1 3 362.386 0.157 10 0 FCAEHM O=C(NCc1cc(=O)[nH]c2ccccc12)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000544804101 490981871 /nfs/dbraw/zinc/98/18/71/490981871.db2.gz JPVRCMMUYQPAEK-CYBMUJFWSA-N -1 3 355.354 0.386 10 0 FCAEHM NC(=O)[C@@H]1CCC[C@@H](NC(=O)CC[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000532237941 490989661 /nfs/dbraw/zinc/98/96/61/490989661.db2.gz BSGZFCNSDREXHF-VXGBXAGGSA-N -1 3 371.434 0.654 10 0 FCAEHM O=C([C@H]1CC(=O)N(c2ccccc2)C1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000572708867 491388244 /nfs/dbraw/zinc/38/82/44/491388244.db2.gz PGCJAANUBGVBPN-KPZWWZAWSA-N -1 3 356.382 0.240 10 0 FCAEHM COC(=O)Cc1ccc(S(=O)(=O)[N-][C@@H]2CNCCC2(F)F)cc1F ZINC000572959959 491403468 /nfs/dbraw/zinc/40/34/68/491403468.db2.gz LCGOXHAQCYDQBU-GFCCVEGCSA-N -1 3 366.361 0.817 10 0 FCAEHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C(C)(C)c1cn(C)nn1 ZINC000573206553 491419247 /nfs/dbraw/zinc/41/92/47/491419247.db2.gz DRXHZEPWPUCEAQ-UHFFFAOYSA-N -1 3 356.379 0.954 10 0 FCAEHM COc1ccc([N-]S(=O)(=O)C[C@@H](OC)C2CC2)cc1S(N)(=O)=O ZINC000573368795 491429328 /nfs/dbraw/zinc/42/93/28/491429328.db2.gz VLVCXWFCHDVKBB-GFCCVEGCSA-N -1 3 364.445 0.509 10 0 FCAEHM COc1cc(N2CCN(C(=O)c3cc(=O)[n-]c(C4CC4)n3)CC2)ncn1 ZINC000566452524 491445133 /nfs/dbraw/zinc/44/51/33/491445133.db2.gz ZAHYZQALVQENAX-UHFFFAOYSA-N -1 3 356.386 0.821 10 0 FCAEHM COC(=O)[C@@H](CF)NC(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2C ZINC000573659601 491446573 /nfs/dbraw/zinc/44/65/73/491446573.db2.gz SWZWASZQLIOWIF-SNVBAGLBSA-N -1 3 364.333 0.152 10 0 FCAEHM O=S(=O)([N-]CC(F)F)c1cccc(S(=O)(=O)N2CCOC2)c1 ZINC000566487970 491447068 /nfs/dbraw/zinc/44/70/68/491447068.db2.gz JVAQITOMJBAXQE-UHFFFAOYSA-N -1 3 356.372 0.208 10 0 FCAEHM Cc1onc(N)c1S(=O)(=O)[N-]Cc1ccc(CN2CCOCC2)cc1 ZINC000573762852 491453356 /nfs/dbraw/zinc/45/33/56/491453356.db2.gz AZRFCTOJOOZJPV-UHFFFAOYSA-N -1 3 366.443 0.876 10 0 FCAEHM CN(C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F)[C@H]1CCOC1 ZINC000566657931 491458670 /nfs/dbraw/zinc/45/86/70/491458670.db2.gz UTNDRUJSRYTMEW-NSHDSACASA-N -1 3 363.386 0.673 10 0 FCAEHM O=S(=O)([N-]C1CC1)c1ccccc1S(=O)(=O)N(C1CC1)C1COC1 ZINC000566896774 491473878 /nfs/dbraw/zinc/47/38/78/491473878.db2.gz OACABOHESMXXMT-UHFFFAOYSA-N -1 3 372.468 0.679 10 0 FCAEHM C[C@H]1CC[C@H](C(N)=O)CN1C(=O)C[N-]S(=O)(=O)c1ccccc1F ZINC000567087849 491484881 /nfs/dbraw/zinc/48/48/81/491484881.db2.gz KCKRAZDAHRCXCQ-QWRGUYRKSA-N -1 3 357.407 0.216 10 0 FCAEHM C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)C[N-]S(=O)(=O)c1ccccc1F ZINC000567087848 491484885 /nfs/dbraw/zinc/48/48/85/491484885.db2.gz KCKRAZDAHRCXCQ-MNOVXSKESA-N -1 3 357.407 0.216 10 0 FCAEHM COc1cc(=NC(=O)CC(C)CC(=O)N=c2cc(OC)n(C)[nH]2)[n-]n1C ZINC000559610075 491485653 /nfs/dbraw/zinc/48/56/53/491485653.db2.gz GXPVOBBAZDUHDH-UHFFFAOYSA-N -1 3 364.406 0.008 10 0 FCAEHM O=S(=O)(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1C[C@H](O)C2(CC2)C1 ZINC000574476130 491499877 /nfs/dbraw/zinc/49/98/77/491499877.db2.gz FLROIOCTXUFTCV-NSHDSACASA-N -1 3 355.807 0.666 10 0 FCAEHM O=S(=O)(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1C[C@H](O)C2(CC2)C1 ZINC000574476130 491499880 /nfs/dbraw/zinc/49/98/80/491499880.db2.gz FLROIOCTXUFTCV-NSHDSACASA-N -1 3 355.807 0.666 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-][C@H]2CCCN(C(=O)N3CCCC3)C2)c1 ZINC000560481232 491542089 /nfs/dbraw/zinc/54/20/89/491542089.db2.gz YUOZTOFMFILFQX-ZDUSSCGKSA-N -1 3 355.464 0.862 10 0 FCAEHM Cc1ccc2ncc(C(=O)N3CCC[C@H]3c3nc(=N)n(C)[n-]3)c(=O)n2c1 ZINC000568139716 491555497 /nfs/dbraw/zinc/55/54/97/491555497.db2.gz NTHILRLAOSOSSR-LBPRGKRZSA-N -1 3 353.386 0.521 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CC(C)(C(N)=O)C2)cc1OC ZINC000575744805 491557868 /nfs/dbraw/zinc/55/78/68/491557868.db2.gz FCMBKDDBBAGJPJ-UHFFFAOYSA-N -1 3 370.431 0.796 10 0 FCAEHM CC[C@@H](C)C[C@@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1)C(=O)OC ZINC000575805276 491562098 /nfs/dbraw/zinc/56/20/98/491562098.db2.gz ATWULTUVALYDAP-ZYHUDNBSSA-N -1 3 374.463 0.101 10 0 FCAEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](CO)[C@@H]1CCCOC1 ZINC000568264061 491564046 /nfs/dbraw/zinc/56/40/46/491564046.db2.gz TUWSVMYYCJDYBC-ZYHUDNBSSA-N -1 3 360.388 0.669 10 0 FCAEHM CN(CC1CC1)C(=O)Cn1cc(I)c(=O)[n-]c1=O ZINC000568272591 491565604 /nfs/dbraw/zinc/56/56/04/491565604.db2.gz YVSVMZCHELDALZ-UHFFFAOYSA-N -1 3 363.155 0.422 10 0 FCAEHM CC(C)(C)NC(=O)Cn1cc(I)c(=O)[n-]c1=O ZINC000577077537 491587633 /nfs/dbraw/zinc/58/76/33/491587633.db2.gz LQLGZBSXNYTOFF-UHFFFAOYSA-N -1 3 351.144 0.468 10 0 FCAEHM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2ccnn2CCN(C)C)cc1 ZINC000576311832 491603791 /nfs/dbraw/zinc/60/37/91/491603791.db2.gz JBPMBNKTXDHWCE-UHFFFAOYSA-N -1 3 366.443 0.961 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@H]2CNCCC2(F)F)s1 ZINC000577279674 491608975 /nfs/dbraw/zinc/60/89/75/491608975.db2.gz DWPNPJVBIHCBLF-JTQLQIEISA-N -1 3 353.416 0.660 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H](CO)c2cccnc2)c(C)o1 ZINC000561561344 491616832 /nfs/dbraw/zinc/61/68/32/491616832.db2.gz SADUNFJHEGEOFZ-LBPRGKRZSA-N -1 3 354.384 0.824 10 0 FCAEHM O=C1[N-]C(=O)[C@]2(CCCN(c3ncnc4c3cnn4-c3ccccc3)C2)N1 ZINC000568949116 491621280 /nfs/dbraw/zinc/62/12/80/491621280.db2.gz IQIWKLQSKFOJLC-GOSISDBHSA-N -1 3 363.381 0.994 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NCc1nccn1CC(C)C ZINC000569176226 491639799 /nfs/dbraw/zinc/63/97/99/491639799.db2.gz KDOXUIANHBNKOE-UHFFFAOYSA-N -1 3 369.447 0.739 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)[C@H]2CN(Cc3ccccc3)CCO2)nc1=N ZINC000561947282 491641522 /nfs/dbraw/zinc/64/15/22/491641522.db2.gz SKQIWBDIFUMQON-HZPDHXFCSA-N -1 3 370.457 0.792 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]Cc1nnnn1CC1CC1 ZINC000562005409 491646830 /nfs/dbraw/zinc/64/68/30/491646830.db2.gz YEPIPXOHQRBLIA-UHFFFAOYSA-N -1 3 369.403 0.558 10 0 FCAEHM C[C@H]1CCN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)C[C@H]1C(=O)[O-] ZINC000576876073 491652969 /nfs/dbraw/zinc/65/29/69/491652969.db2.gz PEJPEDHDHOKIGR-UONOGXRCSA-N -1 3 353.463 0.936 10 0 FCAEHM Cn1ccc(NC(=O)C[N-]S(=O)(=O)CCCOCc2ccccc2)n1 ZINC000578855104 491685776 /nfs/dbraw/zinc/68/57/76/491685776.db2.gz YFZUYODBWXEXRI-UHFFFAOYSA-N -1 3 366.443 0.885 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C1CCN(C(C)=O)CC1 ZINC000578987480 491688376 /nfs/dbraw/zinc/68/83/76/491688376.db2.gz DQELZVVBDIAYRT-UHFFFAOYSA-N -1 3 358.416 0.972 10 0 FCAEHM CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000579122410 491691466 /nfs/dbraw/zinc/69/14/66/491691466.db2.gz CUUSMJBXLLFMAL-XGUBFFRZSA-N -1 3 351.447 0.641 10 0 FCAEHM Cn1nccc1[C@H](CO)[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000579128343 491691536 /nfs/dbraw/zinc/69/15/36/491691536.db2.gz OMSIFYSNBGAXIC-LBPRGKRZSA-N -1 3 368.390 0.456 10 0 FCAEHM O=S(=O)([N-]CCN1CCC(O)CC1)c1cccnc1C(F)(F)F ZINC000579978718 491712374 /nfs/dbraw/zinc/71/23/74/491712374.db2.gz AVKUBAARFHHOAP-UHFFFAOYSA-N -1 3 353.366 0.835 10 0 FCAEHM NC(=O)Cc1ccc(-c2cccc(S(N)(=O)=O)c2-c2nnn[n-]2)cc1 ZINC000584611631 491709133 /nfs/dbraw/zinc/70/91/33/491709133.db2.gz JPTJCMCWBYLRNP-UHFFFAOYSA-N -1 3 358.383 0.209 10 0 FCAEHM Cn1cc([C@H](NC(=O)CNC(=O)c2cccc([O-])c2)C2(CO)CCC2)cn1 ZINC000584795822 491714880 /nfs/dbraw/zinc/71/48/80/491714880.db2.gz BCKVOOXNRXDMTO-KRWDZBQOSA-N -1 3 372.425 0.876 10 0 FCAEHM COC(=O)[C@@H](CF)[N-]S(=O)(=O)c1ccc([C@@H](C)NC(C)=O)s1 ZINC000588142355 491740974 /nfs/dbraw/zinc/74/09/74/491740974.db2.gz RWWRXHMUNALXLN-VXNVDRBHSA-N -1 3 352.409 0.735 10 0 FCAEHM COC(=O)CC1(NC(=O)Nc2ccc(C[C@H]3NC(=O)[N-]C3=O)cc2)CC1 ZINC000580197738 491721187 /nfs/dbraw/zinc/72/11/87/491721187.db2.gz FBTHSAKRHKJCSF-GFCCVEGCSA-N -1 3 360.370 0.654 10 0 FCAEHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]Cc2cn(C)nn2)c1OC ZINC000585739295 491725083 /nfs/dbraw/zinc/72/50/83/491725083.db2.gz PFGWXPMLNCTCMS-UHFFFAOYSA-N -1 3 374.806 0.742 10 0 FCAEHM O=S(=O)([N-]CCCN1CCCS1(=O)=O)c1cc(F)cc(F)c1 ZINC000585809042 491730140 /nfs/dbraw/zinc/73/01/40/491730140.db2.gz JXDYRMSIXRGZSZ-UHFFFAOYSA-N -1 3 354.400 0.669 10 0 FCAEHM COc1ccc(S(=O)(=O)NCC[C@H](C)F)cc1[C@]1(C)NC(=O)[N-]C1=O ZINC000580585872 491737350 /nfs/dbraw/zinc/73/73/50/491737350.db2.gz XNZNMIKAIAQCPY-VFZGTOFNSA-N -1 3 373.406 0.776 10 0 FCAEHM COC(=O)[C@H](CF)[N-]S(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1 ZINC000588142353 491741043 /nfs/dbraw/zinc/74/10/43/491741043.db2.gz RWWRXHMUNALXLN-CBAPKCEASA-N -1 3 352.409 0.735 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC(c3ncc[nH]3)CC2)cn1C ZINC000588217107 491742383 /nfs/dbraw/zinc/74/23/83/491742383.db2.gz MKSIVEVAURBVJA-UHFFFAOYSA-N -1 3 366.447 0.136 10 0 FCAEHM Cc1nn(C)c(C)c1NC(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000588632319 491744786 /nfs/dbraw/zinc/74/47/86/491744786.db2.gz FXZYJEYKJZJVKS-UHFFFAOYSA-N -1 3 354.436 0.386 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@H]2CCc3ccccc3C2)cn1C ZINC000588633243 491744897 /nfs/dbraw/zinc/74/48/97/491744897.db2.gz CDMGLSZULUDQSG-HNNXBMFYSA-N -1 3 362.455 0.681 10 0 FCAEHM C[C@H](CO)N(C)S(=O)(=O)c1cccc(S(=O)(=O)[N-]CC(F)F)c1 ZINC000581022646 491755904 /nfs/dbraw/zinc/75/59/04/491755904.db2.gz CCVVSZNZQURDDP-SECBINFHSA-N -1 3 372.415 0.231 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)Cn3nnc4c3CCCC4)cc2n(C)c1=O ZINC000581676341 491782441 /nfs/dbraw/zinc/78/24/41/491782441.db2.gz UCHHDQCATVHOOD-UHFFFAOYSA-N -1 3 356.386 0.692 10 0 FCAEHM CN(C)C(=O)CN1CCN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)CC1 ZINC000590960216 491789963 /nfs/dbraw/zinc/78/99/63/491789963.db2.gz KTIHWUJHZUKJAS-UHFFFAOYSA-N -1 3 361.442 0.952 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NC[C@H](CO)[C@H]1CCOC1 ZINC000582279407 491805253 /nfs/dbraw/zinc/80/52/53/491805253.db2.gz GEFFNPKAWTXPGR-NWDGAFQWSA-N -1 3 360.414 0.926 10 0 FCAEHM CC[C@H](C[N-]S(=O)(=O)c1ccc(CCNC(C)=O)s1)C(=O)OC ZINC000592078990 491830770 /nfs/dbraw/zinc/83/07/70/491830770.db2.gz XJZRODNROKOKDE-LLVKDONJSA-N -1 3 362.473 0.904 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CC2([S@](C)=O)CCC2)coc1C(=O)N(C)C ZINC000592048922 491829591 /nfs/dbraw/zinc/82/95/91/491829591.db2.gz QUHYLJBTCJAGSF-QFIPXVFZSA-N -1 3 362.473 0.869 10 0 FCAEHM COCCN(C(=O)CC[N-]S(=O)(=O)c1cccs1)[C@@H]1CCOC1 ZINC000583668348 491849705 /nfs/dbraw/zinc/84/97/05/491849705.db2.gz LXGIYVIWXXPBGC-GFCCVEGCSA-N -1 3 362.473 0.680 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CC[C@H](C)S(=O)(=O)C2)c(C)o1 ZINC000594849894 491866602 /nfs/dbraw/zinc/86/66/02/491866602.db2.gz RBDHPWFEOVBDDC-WPRPVWTQSA-N -1 3 365.429 0.619 10 0 FCAEHM CC(C)(C)CNC(=O)Cn1cc(I)c(=O)[n-]c1=O ZINC000600549911 491868329 /nfs/dbraw/zinc/86/83/29/491868329.db2.gz UUAVWSNYZKMUCZ-UHFFFAOYSA-N -1 3 365.171 0.716 10 0 FCAEHM COC(=O)[C@@](C)(CCF)[N-]S(=O)(=O)C1CN(C(=O)C2CCCC2)C1 ZINC000594867051 491868521 /nfs/dbraw/zinc/86/85/21/491868521.db2.gz UEUZEFZCRKVIJI-OAHLLOKOSA-N -1 3 364.439 0.598 10 0 FCAEHM CO[C@H](Cn1cc(I)c(=O)[n-]c1=O)[C@@H]1CCOC1 ZINC000594900902 491871622 /nfs/dbraw/zinc/87/16/22/491871622.db2.gz RTAROXRFPITOIH-VXNVDRBHSA-N -1 3 366.155 0.605 10 0 FCAEHM COC(=O)[C@@]1(OC)CCN(C(=O)c2c[n-]c3cc(OC)ccc3c2=O)C1 ZINC000600839581 491886389 /nfs/dbraw/zinc/88/63/89/491886389.db2.gz ZOYZKWWGDXLWAB-GOSISDBHSA-N -1 3 360.366 0.941 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC000600963131 491890438 /nfs/dbraw/zinc/89/04/38/491890438.db2.gz LFNJUTPDHOLRMM-CQSZACIVSA-N -1 3 365.393 0.669 10 0 FCAEHM CCOc1cc2c(cc1[C@@H]1C[C@H]1NC(=O)CN1CC(=O)[N-]C1=O)O[C@@H](C)C2 ZINC000601004721 491892710 /nfs/dbraw/zinc/89/27/10/491892710.db2.gz NEPCADNRLSDWRO-VHRBIJSZSA-N -1 3 373.409 0.933 10 0 FCAEHM O=C(c1cccc([O-])c1)N1CCN(C(=O)c2ccnc3c2CC(=O)N3)CC1 ZINC000612136525 491899982 /nfs/dbraw/zinc/89/99/82/491899982.db2.gz LOTJSRJFEQJASQ-UHFFFAOYSA-N -1 3 366.377 0.880 10 0 FCAEHM CCN1C[C@H](S(=O)(=O)[N-][C@@H](CC(=O)OC)c2cccs2)CC1=O ZINC000601297893 491902093 /nfs/dbraw/zinc/90/20/93/491902093.db2.gz GBLGVAPMUBHXBM-MNOVXSKESA-N -1 3 360.457 0.893 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-]CC(=O)N2CCCc3ccccc32)CC1 ZINC000601317229 491903911 /nfs/dbraw/zinc/90/39/11/491903911.db2.gz ZLOWCCKUQUPFFJ-UHFFFAOYSA-N -1 3 366.439 0.838 10 0 FCAEHM CCOC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)C[C@@H]1CNCCO1 ZINC000601339751 491905168 /nfs/dbraw/zinc/90/51/68/491905168.db2.gz GVKHHINFKMLBLS-LSDHHAIUSA-N -1 3 356.444 0.069 10 0 FCAEHM CN1CCO[C@H](CS(=O)(=O)[N-]C2(C(=O)OC(C)(C)C)CCCC2)C1 ZINC000601350487 491907426 /nfs/dbraw/zinc/90/74/26/491907426.db2.gz VYJYBHVSVBESGF-ZDUSSCGKSA-N -1 3 362.492 0.891 10 0 FCAEHM COC(=O)[C@@H](Cc1ccncc1)[N-]S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000601417826 491916282 /nfs/dbraw/zinc/91/62/82/491916282.db2.gz DKPLGEOTARBCER-MBNYWOFBSA-N -1 3 357.432 0.109 10 0 FCAEHM CCc1nc(S(=O)(=O)[N-][C@]2(C(=O)OC)CCOC2)cn1CC1CC1 ZINC000595318016 491917403 /nfs/dbraw/zinc/91/74/03/491917403.db2.gz JRHRQVQCUGGXTL-OAHLLOKOSA-N -1 3 357.432 0.466 10 0 FCAEHM CCc1nc(S(=O)(=O)[N-]C(C)(C)[C@@H](O)C(=O)OC)cn1CC1CC1 ZINC000595328079 491919660 /nfs/dbraw/zinc/91/96/60/491919660.db2.gz RMTFSNYZLWOHBQ-ZDUSSCGKSA-N -1 3 359.448 0.446 10 0 FCAEHM CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)CCCN1CCN(C)CC1)C(=O)OC ZINC000601451722 491921458 /nfs/dbraw/zinc/92/14/58/491921458.db2.gz KAHVFVDGDLHSHC-HUUCEWRRSA-N -1 3 363.524 0.521 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2C(=O)NCC2(C)C)c(Cl)c1 ZINC000595351684 491923219 /nfs/dbraw/zinc/92/32/19/491923219.db2.gz MZCHINLMVBIMFD-LLVKDONJSA-N -1 3 360.819 0.930 10 0 FCAEHM COC(=O)CC[C@H](C(=O)OC)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000595355138 491923271 /nfs/dbraw/zinc/92/32/71/491923271.db2.gz SMXBUICVJWIZPO-OAHLLOKOSA-N -1 3 364.398 0.645 10 0 FCAEHM COC(=O)[C@@]1([N-]S(=O)(=O)[C@H]2CC(=O)N(C3CC3)C2)CC[C@@H](C)CC1 ZINC000601462799 491923532 /nfs/dbraw/zinc/92/35/32/491923532.db2.gz CMYGCMHUBCTADO-RBOXIYTFSA-N -1 3 358.460 0.791 10 0 FCAEHM CO[C@H](C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-])[C@H]1CCOC1 ZINC000613029496 491963222 /nfs/dbraw/zinc/96/32/22/491963222.db2.gz XPWLVBCZTUHDTE-NHYWBVRUSA-N -1 3 370.427 0.922 10 0 FCAEHM COC(=O)C(C)(C)n1ccc(=NC(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)[nH]1 ZINC000597072192 492014312 /nfs/dbraw/zinc/01/43/12/492014312.db2.gz GCIIOQLWZGEOQC-LLVKDONJSA-N -1 3 362.390 0.854 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(C(=O)[C@H](OC)[C@H]3CCOC3)CC2)n[n-]1 ZINC000597573609 492048306 /nfs/dbraw/zinc/04/83/06/492048306.db2.gz GKESGCARYJFPBQ-QWHCGFSZSA-N -1 3 366.418 0.739 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(C(=O)[C@H](OC)[C@H]3CCOC3)CC2)[n-]1 ZINC000597573609 492048307 /nfs/dbraw/zinc/04/83/07/492048307.db2.gz GKESGCARYJFPBQ-QWHCGFSZSA-N -1 3 366.418 0.739 10 0 FCAEHM C[C@H](NC(=O)[C@H]1CCN=C2C1=NNN2C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614826414 492058570 /nfs/dbraw/zinc/05/85/70/492058570.db2.gz MKQUDUXWNMNYET-DCAQKATOSA-N -1 3 373.417 0.091 10 0 FCAEHM O=S1(=O)[N-]C(CN2CCN([C@@H]3CCC[C@H]3O)CC2)=Nc2ccccc21 ZINC000604386523 492059833 /nfs/dbraw/zinc/05/98/33/492059833.db2.gz RWMUBVFVIKLYHP-HUUCEWRRSA-N -1 3 364.471 0.540 10 0 FCAEHM COC(=O)C[C@@H](NC(=O)Cc1ccc(Br)cc1[O-])C(=O)OC ZINC000614917700 492063839 /nfs/dbraw/zinc/06/38/39/492063839.db2.gz WBILHZKAYLZJQS-SNVBAGLBSA-N -1 3 374.187 0.918 10 0 FCAEHM Cn1[nH]c(-c2ccccc2)c2c(NC(=O)CN3CC(=O)[N-]C3=O)nnc1-2 ZINC000604606160 492064792 /nfs/dbraw/zinc/06/47/92/492064792.db2.gz DTXHNPKOHHOKEZ-UHFFFAOYSA-N -1 3 353.342 0.454 10 0 FCAEHM COC(=O)[C@@H](C)CN(Cc1ccccc1)Cc1cc(=O)n2nc(N)[n-]c2n1 ZINC000598589689 492106263 /nfs/dbraw/zinc/10/62/63/492106263.db2.gz KNFUKCREWBLZRU-LBPRGKRZSA-N -1 3 370.413 0.641 10 0 FCAEHM COC(=O)[C@@H]1CCN(Cc2cc(=O)n3nc(N)[n-]c3n2)c2ccccc21 ZINC000598598991 492107034 /nfs/dbraw/zinc/10/70/34/492107034.db2.gz LNZPFCNHEFYUEI-GFCCVEGCSA-N -1 3 354.370 0.497 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)c2ccc(=O)n(-c3ccccc3)n2)[n-]1 ZINC000615919135 492107049 /nfs/dbraw/zinc/10/70/49/492107049.db2.gz BGAUULOOXYYYGF-UHFFFAOYSA-N -1 3 368.353 0.457 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)CCCNC(=O)c2ccsc2)[n-]1 ZINC000615917055 492107383 /nfs/dbraw/zinc/10/73/83/492107383.db2.gz JTRUQVGWUWAPLX-UHFFFAOYSA-N -1 3 365.415 0.869 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)CNC(=O)Cc2cccc(F)c2)[n-]1 ZINC000615918766 492107424 /nfs/dbraw/zinc/10/74/24/492107424.db2.gz ZYHKNPPQMQELFQ-UHFFFAOYSA-N -1 3 363.349 0.096 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)[n-]1 ZINC000615920050 492107999 /nfs/dbraw/zinc/10/79/99/492107999.db2.gz MQTHNGXSHNEERF-SNVBAGLBSA-N -1 3 361.358 0.239 10 0 FCAEHM COC(=O)[C@@H](C)CS(=O)(=O)[N-][C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC000598624550 492109646 /nfs/dbraw/zinc/10/96/46/492109646.db2.gz IXBJVJVQKDUXTG-GXFFZTMASA-N -1 3 361.441 0.385 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)CNC(=O)c2cc(F)cc(F)c2)[n-]1 ZINC000616028506 492115105 /nfs/dbraw/zinc/11/51/05/492115105.db2.gz KOPUYHDEJRVOND-UHFFFAOYSA-N -1 3 367.312 0.306 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@H]1CCNC(=O)CC1 ZINC000616357605 492127268 /nfs/dbraw/zinc/12/72/68/492127268.db2.gz AYDJWQGYRCJQJS-WDEREUQCSA-N -1 3 357.407 0.277 10 0 FCAEHM O=C(CC[C@H]1NC(=O)[N-]C1=O)NCCc1ccc2c(c1)OC(F)(F)O2 ZINC000616562325 492137475 /nfs/dbraw/zinc/13/74/75/492137475.db2.gz WNOKMIBSQPESSK-SECBINFHSA-N -1 3 355.297 0.655 10 0 FCAEHM CO[C@H](C)CN(C(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1)C(C)C ZINC000607135366 492139161 /nfs/dbraw/zinc/13/91/61/492139161.db2.gz GJHKXSOUBRHKEY-GFCCVEGCSA-N -1 3 360.480 0.669 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]Cc2ccc(N(C)C)nc2)on1 ZINC000599214165 492143379 /nfs/dbraw/zinc/14/33/79/492143379.db2.gz UJRCIXHBPZNWFC-UHFFFAOYSA-N -1 3 368.415 0.932 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H](CO)Cc2ccccc2)on1 ZINC000599236813 492147010 /nfs/dbraw/zinc/14/70/10/492147010.db2.gz CYOFQQDYJGKAHD-CYBMUJFWSA-N -1 3 368.411 0.874 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]C[C@@H](O)Cc2ccccc2)on1 ZINC000599242932 492147640 /nfs/dbraw/zinc/14/76/40/492147640.db2.gz DJJYGXKJHALAGD-ZDUSSCGKSA-N -1 3 368.411 0.874 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]C[C@@H](C)C(=O)OC(C)C)on1 ZINC000599248861 492148937 /nfs/dbraw/zinc/14/89/37/492148937.db2.gz BZPVSFCORITTHP-SNVBAGLBSA-N -1 3 362.404 0.858 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)on1 ZINC000599254488 492149494 /nfs/dbraw/zinc/14/94/94/492149494.db2.gz SPXHPBSFJDBAKC-BREBYQMCSA-N -1 3 371.415 0.280 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]C(C)(C)CS(C)(=O)=O)on1 ZINC000599277804 492153324 /nfs/dbraw/zinc/15/33/24/492153324.db2.gz IFXGLGANSZRYFI-UHFFFAOYSA-N -1 3 368.433 0.094 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]CCN2CC=C(C)CC2)on1 ZINC000599276784 492153351 /nfs/dbraw/zinc/15/33/51/492153351.db2.gz CMCRMQXRVAKRGS-UHFFFAOYSA-N -1 3 357.432 0.923 10 0 FCAEHM CCO[C@@H](CS(=O)(=O)[N-]C[C@](C)(O)C(=O)OC(C)(C)C)C1CC1 ZINC000599282296 492154419 /nfs/dbraw/zinc/15/44/19/492154419.db2.gz ZNRXDFHAJSRQEB-WFASDCNBSA-N -1 3 351.465 0.814 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)NC[C@H](C)c2ccccn2)cn1C ZINC000617079733 492154699 /nfs/dbraw/zinc/15/46/99/492154699.db2.gz WVIURYGILZBIGS-NSHDSACASA-N -1 3 351.432 0.322 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@]2(CCOC)CCOC2)on1 ZINC000599291007 492155696 /nfs/dbraw/zinc/15/56/96/492155696.db2.gz HNBBHQLAARIKQF-AWEZNQCLSA-N -1 3 362.404 0.466 10 0 FCAEHM CO[C@@H](CNC(=O)CC[N-]S(=O)(=O)c1cccs1)[C@@H]1CCOC1 ZINC000617152209 492157681 /nfs/dbraw/zinc/15/76/81/492157681.db2.gz GNZMAFSMQORUTL-NEPJUHHUSA-N -1 3 362.473 0.584 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]Cc2ncccc2N(C)C)on1 ZINC000599311557 492158643 /nfs/dbraw/zinc/15/86/43/492158643.db2.gz KHZVIAQSTOUPOL-UHFFFAOYSA-N -1 3 368.415 0.932 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]C2(CF)CCOCC2)on1 ZINC000599319781 492159929 /nfs/dbraw/zinc/15/99/29/492159929.db2.gz KFHNFQHFEJICBT-UHFFFAOYSA-N -1 3 350.368 0.789 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@H]2C[C@@H]3CCCCN3C2=O)on1 ZINC000599323121 492160344 /nfs/dbraw/zinc/16/03/44/492160344.db2.gz FGISWCTVKQQWOA-JQWIXIFHSA-N -1 3 371.415 0.424 10 0 FCAEHM C[C@@]1(c2cccc(C(=O)N3CC[C@@H](Cn4ccnn4)C3)c2)NC(=O)[N-]C1=O ZINC000617259592 492161675 /nfs/dbraw/zinc/16/16/75/492161675.db2.gz CLIHBFXIIZLLAL-XIKOKIGWSA-N -1 3 368.397 0.495 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CC[C@H](Cn2ccnn2)C1 ZINC000617265076 492162156 /nfs/dbraw/zinc/16/21/56/492162156.db2.gz VTSODONFCAWDOH-NSHDSACASA-N -1 3 355.445 0.167 10 0 FCAEHM CC(C)(C)OC(=O)C1CCC(O)(CN2CCN3C(=O)[N-]C(=O)[C@@H]3C2)CC1 ZINC000599338940 492162516 /nfs/dbraw/zinc/16/25/16/492162516.db2.gz XTJQWOGYBAXPSD-XYEKJYRLSA-N -1 3 367.446 0.485 10 0 FCAEHM Cn1c([N-]C(=O)C(=O)N2CCN(c3ccccc3)CC2)nnc1C1CC1 ZINC000617284117 492162856 /nfs/dbraw/zinc/16/28/56/492162856.db2.gz VBPSDNFSNJSMFI-UHFFFAOYSA-N -1 3 354.414 0.980 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)Nc2nnc(C3CC3)n2C)cn1C ZINC000617288514 492163271 /nfs/dbraw/zinc/16/32/71/492163271.db2.gz NULOFOQBSADTFP-UHFFFAOYSA-N -1 3 367.435 0.042 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H]2CCC[C@@H]2C(=O)OC)on1 ZINC000599349418 492163371 /nfs/dbraw/zinc/16/33/71/492163371.db2.gz ODRLVSVOGKVDIH-WDEREUQCSA-N -1 3 360.388 0.612 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CCO[C@@](C)(C3CC3)C2)cn1C ZINC000617398562 492166199 /nfs/dbraw/zinc/16/61/99/492166199.db2.gz JHNILSLFOJMDDA-MRXNPFEDSA-N -1 3 370.475 0.424 10 0 FCAEHM C[C@]1(C2CC2)CN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)CCO1 ZINC000617404636 492166346 /nfs/dbraw/zinc/16/63/46/492166346.db2.gz UBNOOEASRAKXML-CQSZACIVSA-N -1 3 372.219 0.739 10 0 FCAEHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]C[C@@H](O)[C@@H]1CCCO1 ZINC000599392288 492167463 /nfs/dbraw/zinc/16/74/63/492167463.db2.gz PWLITYYFKPZSRY-MNOVXSKESA-N -1 3 363.819 0.945 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H]1C[C@@H](C)n2ncnc21 ZINC000617432515 492168055 /nfs/dbraw/zinc/16/80/55/492168055.db2.gz HOZYYFAMWHRKOC-KXUCPTDWSA-N -1 3 355.445 0.829 10 0 FCAEHM C[C@@H]1C[C@H](NC(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)c2ncnn21 ZINC000617443188 492168650 /nfs/dbraw/zinc/16/86/50/492168650.db2.gz WNMXSHQZQRCMIU-CIBPLQMKSA-N -1 3 354.370 0.769 10 0 FCAEHM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2COCCN2C)c(F)c1 ZINC000599452988 492174408 /nfs/dbraw/zinc/17/44/08/492174408.db2.gz DSSKPFWWBWRILC-LBPRGKRZSA-N -1 3 360.407 0.611 10 0 FCAEHM CCN(C(=O)CNC(=O)c1c[n-]c2ccccc2c1=O)[C@H]1CCN(C)C1 ZINC000617557377 492175508 /nfs/dbraw/zinc/17/55/08/492175508.db2.gz KDXTVCZXGRGCMX-ZDUSSCGKSA-N -1 3 356.426 0.811 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)NCCc2cnccc2C)cn1C ZINC000617657338 492178868 /nfs/dbraw/zinc/17/88/68/492178868.db2.gz ACYANJWTQAWAIV-UHFFFAOYSA-N -1 3 365.459 0.459 10 0 FCAEHM COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)[N-][C@@H]1CCO[C@@H]1c1nc(C)no1 ZINC000599515912 492182691 /nfs/dbraw/zinc/18/26/91/492182691.db2.gz YKZXPSLYYQRSNJ-LPWJVIDDSA-N -1 3 373.431 0.859 10 0 FCAEHM CO[C@@]1(CO)CCCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)C1 ZINC000617795202 492192059 /nfs/dbraw/zinc/19/20/59/492192059.db2.gz UPNHWJOTTNDHBS-FZMZJTMJSA-N -1 3 362.473 0.415 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)NCCO[C@H]1CC1(F)F ZINC000618123803 492211003 /nfs/dbraw/zinc/21/10/03/492211003.db2.gz RVROZDXCVKVGAF-NSHDSACASA-N -1 3 352.334 0.644 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)NCCO[C@@H]1CC1(F)F ZINC000618123936 492211142 /nfs/dbraw/zinc/21/11/42/492211142.db2.gz VNYSNHOEEUWDGV-SECBINFHSA-N -1 3 354.400 0.957 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CCC[C@](O)(C3CC3)C2)cn1C ZINC000618288754 492220546 /nfs/dbraw/zinc/22/05/46/492220546.db2.gz GYHPAJWKHFBTIL-MRXNPFEDSA-N -1 3 370.475 0.160 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCC[C@](O)(C2CC2)C1 ZINC000618284778 492220580 /nfs/dbraw/zinc/22/05/80/492220580.db2.gz CXCNNGBHVAIJDW-CQSZACIVSA-N -1 3 372.219 0.475 10 0 FCAEHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@@H](C)Cn2cncn2)s1 ZINC000618539814 492230791 /nfs/dbraw/zinc/23/07/91/492230791.db2.gz POWHADGGBITTFM-VHSXEESVSA-N -1 3 357.461 0.904 10 0 FCAEHM CCOC(=O)c1ncc(NC(=O)c2cccc(S(=O)(=O)NC)c2)[n-]1 ZINC000618919338 492243131 /nfs/dbraw/zinc/24/31/31/492243131.db2.gz IDOIYQPUPIHCKP-UHFFFAOYSA-N -1 3 352.372 0.747 10 0 FCAEHM CCOC(=O)c1nc(NC(=O)c2cccc(S(=O)(=O)NC)c2)c[n-]1 ZINC000618919338 492243133 /nfs/dbraw/zinc/24/31/33/492243133.db2.gz IDOIYQPUPIHCKP-UHFFFAOYSA-N -1 3 352.372 0.747 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H]1C[C@H](O)C12CCC2 ZINC000619082498 492249507 /nfs/dbraw/zinc/24/95/07/492249507.db2.gz SXLSDBOYWLSUIP-GDLCADMTSA-N -1 3 356.419 0.912 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)N[C@H]1C[C@@H](O)C12CCC2 ZINC000619085136 492249703 /nfs/dbraw/zinc/24/97/03/492249703.db2.gz AZXZCHGLWSNWJA-LSDHHAIUSA-N -1 3 355.394 0.678 10 0 FCAEHM CCn1c(=O)[n-]c(=O)c2c(C(=O)NC[C@@H]3CCC(=O)N3)cc(C(C)C)nc21 ZINC000619143236 492251036 /nfs/dbraw/zinc/25/10/36/492251036.db2.gz NFCIOQDFCQLHBB-JTQLQIEISA-N -1 3 373.413 0.649 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)NC[C@@H]2C(C)(C)C2(F)F)cn1C ZINC000619394203 492261865 /nfs/dbraw/zinc/26/18/65/492261865.db2.gz PSOWELSTDSVAID-SECBINFHSA-N -1 3 350.391 0.414 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2c(C3CCC3)cnn2C)cn1 ZINC000619241525 492255750 /nfs/dbraw/zinc/25/57/50/492255750.db2.gz KYNWGDUDJMNFFX-UHFFFAOYSA-N -1 3 363.443 0.921 10 0 FCAEHM COC(=O)[C@H](C)Oc1ccc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)cc1F ZINC000600331016 492261719 /nfs/dbraw/zinc/26/17/19/492261719.db2.gz IOSCUQCPIYFBQZ-XVKPBYJWSA-N -1 3 353.306 0.303 10 0 FCAEHM COC(=O)[C@H](C)Oc1ccc(NC(=O)CC[C@@H]2NC(=O)[N-]C2=O)cc1F ZINC000600344964 492263202 /nfs/dbraw/zinc/26/32/02/492263202.db2.gz PSCBFULWROIERX-KWQFWETISA-N -1 3 367.333 0.693 10 0 FCAEHM COC(=O)[C@H](C[C@@H]1CCCOC1)NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000600438976 492270098 /nfs/dbraw/zinc/27/00/98/492270098.db2.gz UCIXVWBTCJUKQH-HZMBPMFUSA-N -1 3 360.366 0.658 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000600485357 492274177 /nfs/dbraw/zinc/27/41/77/492274177.db2.gz WUSTTZOVVAYOLK-NNOLRYQLSA-N -1 3 362.498 0.538 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CC3(CCCC3)OC[C@H]2C)cn1C ZINC000619927427 492282861 /nfs/dbraw/zinc/28/28/61/492282861.db2.gz RKUXQQFJHMRUHH-GFCCVEGCSA-N -1 3 370.475 0.567 10 0 FCAEHM O=C(NC[C@@]1(CO)COCCN1Cc1ccccc1)c1cncc([O-])c1 ZINC000619942281 492283816 /nfs/dbraw/zinc/28/38/16/492283816.db2.gz RCNJQMPPBLJGGP-LJQANCHMSA-N -1 3 357.410 0.781 10 0 FCAEHM Cc1ccccc1C(F)(F)CNC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000620182782 492297908 /nfs/dbraw/zinc/29/79/08/492297908.db2.gz JDCKXVCWEFJRHE-UHFFFAOYSA-N -1 3 372.397 0.915 10 0 FCAEHM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)C[C@H]1C(=O)[O-] ZINC000647501901 492298241 /nfs/dbraw/zinc/29/82/41/492298241.db2.gz BZLZEQGCLYYMHV-RBSFLKMASA-N -1 3 351.447 0.642 10 0 FCAEHM CO[C@@H]1CN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)[C@](C)(CO)C1 ZINC000634057941 492316791 /nfs/dbraw/zinc/31/67/91/492316791.db2.gz BUULQAVFHBPNEH-MKBNYLNASA-N -1 3 374.434 0.491 10 0 FCAEHM CO[C@@H]1CN(C(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)[C@](C)(CO)C1 ZINC000634064087 492318887 /nfs/dbraw/zinc/31/88/87/492318887.db2.gz RELUXYMZZDTVBZ-MJVIPROJSA-N -1 3 362.473 0.413 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CCCCN(C)C2=O)cn1 ZINC000634142030 492321599 /nfs/dbraw/zinc/32/15/99/492321599.db2.gz AYTJIKUUVCKVFK-LBPRGKRZSA-N -1 3 354.432 0.073 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H]2CCCCN(C)C2=O)c(C)o1 ZINC000634141580 492321819 /nfs/dbraw/zinc/32/18/19/492321819.db2.gz XUTOWUKSWFWKJX-LBPRGKRZSA-N -1 3 357.432 0.579 10 0 FCAEHM CCOc1ccc(NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)nc1C ZINC000620644429 492323047 /nfs/dbraw/zinc/32/30/47/492323047.db2.gz LLGFQKFWJUHYFE-UHFFFAOYSA-N -1 3 353.404 0.439 10 0 FCAEHM CN1CCC[C@@H]1[C@H]1COCCN1C(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000627518345 492331411 /nfs/dbraw/zinc/33/14/11/492331411.db2.gz FMKLFMBKORKVQI-ZIAGYGMSSA-N -1 3 368.459 0.388 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCC[C@@](O)(CN(C)C)C1 ZINC000647624751 492337310 /nfs/dbraw/zinc/33/73/10/492337310.db2.gz LTIKSHNOADVZJR-QGZVFWFLSA-N -1 3 369.487 0.977 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CN2C(=O)N[C@H](c3ccnn3C)C2=O)s1 ZINC000647669449 492342872 /nfs/dbraw/zinc/34/28/72/492342872.db2.gz SSZNVPFDLODYDG-LLVKDONJSA-N -1 3 369.428 0.183 10 0 FCAEHM CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)CSc1n[nH]c(=O)[n-]1 ZINC000620912722 492345018 /nfs/dbraw/zinc/34/50/18/492345018.db2.gz RILJRQVIHRHHLX-NSHDSACASA-N -1 3 355.464 0.704 10 0 FCAEHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)c1cc(C(N)=O)cn1C ZINC000647705565 492348266 /nfs/dbraw/zinc/34/82/66/492348266.db2.gz ZZQNOSCJFKEEEX-ZJUUUORDSA-N -1 3 359.386 0.618 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCCn1cncn1 ZINC000642356414 492354575 /nfs/dbraw/zinc/35/45/75/492354575.db2.gz FSTUTFARJDUTER-NSHDSACASA-N -1 3 355.395 0.291 10 0 FCAEHM C[C@@H]1CN(Cc2cc(=O)n3nc(N)[n-]c3n2)C[C@H](c2ccc(F)cc2)O1 ZINC000621259558 492364721 /nfs/dbraw/zinc/36/47/21/492364721.db2.gz ZUJWCBGGSZCTCS-QMTHXVAHSA-N -1 3 358.377 0.931 10 0 FCAEHM C[C@H]1CN(Cc2cc(=O)n3nc(N)[n-]c3n2)c2ccccc2N(C)C1=O ZINC000621267204 492367290 /nfs/dbraw/zinc/36/72/90/492367290.db2.gz QKVKCDNURBXIGO-JTQLQIEISA-N -1 3 353.386 0.449 10 0 FCAEHM O=S(=O)([N-][C@@H]1CS(=O)(=O)Cc2ccccc21)c1cnc2n1CCC2 ZINC000621305606 492372531 /nfs/dbraw/zinc/37/25/31/492372531.db2.gz CLLUNLIPEADJCT-CYBMUJFWSA-N -1 3 367.452 0.777 10 0 FCAEHM O=S(=O)([N-][C@H]1CS(=O)(=O)Cc2ccccc21)c1cnc2n1CCC2 ZINC000621305607 492372726 /nfs/dbraw/zinc/37/27/26/492372726.db2.gz CLLUNLIPEADJCT-ZDUSSCGKSA-N -1 3 367.452 0.777 10 0 FCAEHM CCn1nnc(C)c1CNC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000627874201 492409843 /nfs/dbraw/zinc/40/98/43/492409843.db2.gz FZNYWCBVXNJOIF-SNVBAGLBSA-N -1 3 357.461 0.651 10 0 FCAEHM CCn1nnc(C)c1CNC(=O)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000627874433 492409947 /nfs/dbraw/zinc/40/99/47/492409947.db2.gz PYWSMGLQPSJEHL-UHFFFAOYSA-N -1 3 368.397 0.494 10 0 FCAEHM CCn1nnc(C)c1CNC(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000627875413 492410702 /nfs/dbraw/zinc/41/07/02/492410702.db2.gz CGIRZWUBXJQULR-UHFFFAOYSA-N -1 3 356.386 0.728 10 0 FCAEHM Cc1nnc2n1C[C@H](C(=O)Nc1cc3c(cc1[O-])n(C)c(=O)n3C)CC2 ZINC000643039817 492415035 /nfs/dbraw/zinc/41/50/35/492415035.db2.gz GHTDQSCTWOLGET-SNVBAGLBSA-N -1 3 356.386 0.684 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)N1CCN(CCCF)CC1 ZINC000627954117 492425936 /nfs/dbraw/zinc/42/59/36/492425936.db2.gz BIINESHBOOGNMN-UHFFFAOYSA-N -1 3 361.414 0.608 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCN(CCCF)CC1 ZINC000627955949 492426704 /nfs/dbraw/zinc/42/67/04/492426704.db2.gz JNKQTOVIUDHBIT-GFCCVEGCSA-N -1 3 363.480 0.919 10 0 FCAEHM CN1CC[C@H](C(=O)N=c2nc(-c3ccccc3Cl)[n-]n2C)S1(=O)=O ZINC000648396035 492432022 /nfs/dbraw/zinc/43/20/22/492432022.db2.gz CMFIZHXCROWMMO-LLVKDONJSA-N -1 3 369.834 0.530 10 0 FCAEHM C[C@@]1(C[C@H]2CCCN2C(=O)c2ccc(N3CCC3)nc2)NC(=O)[N-]C1=O ZINC000622049902 492447573 /nfs/dbraw/zinc/44/75/73/492447573.db2.gz WHQXHDHNUXWJDZ-ACJLOTCBSA-N -1 3 357.414 0.885 10 0 FCAEHM C[C@]1(c2ccc(CNC(=O)c3cn(C4CCC4)nn3)cc2)NC(=O)[N-]C1=O ZINC000648760964 492453063 /nfs/dbraw/zinc/45/30/63/492453063.db2.gz YLNSODZNSJRYEA-GOSISDBHSA-N -1 3 368.397 0.988 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)N1CCOC[C@@H]1C(F)(F)F ZINC000648792798 492456961 /nfs/dbraw/zinc/45/69/61/492456961.db2.gz ZQELWTOJHUWEIH-LLVKDONJSA-N -1 3 370.324 0.894 10 0 FCAEHM Cc1c(Br)cccc1CS(=O)(=O)[N-][C@@H]1COC[C@H]1O ZINC000655602885 492462332 /nfs/dbraw/zinc/46/23/32/492462332.db2.gz APYIJBOTPWXWFR-VXGBXAGGSA-N -1 3 350.234 0.937 10 0 FCAEHM Cn1nnc2c1CC[C@@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)C2 ZINC000655650376 492472845 /nfs/dbraw/zinc/47/28/45/492472845.db2.gz COQAGXCGLCVAJX-SNVBAGLBSA-N -1 3 370.456 0.054 10 0 FCAEHM C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000649070767 492488904 /nfs/dbraw/zinc/48/89/04/492488904.db2.gz UYYYZYXKLJBGSY-CYBMUJFWSA-N -1 3 357.414 0.770 10 0 FCAEHM Cc1ccc2[n-]cc(C(=O)N3CCN(c4nccnn4)CC3)c(=O)c2c1 ZINC000628380483 492497556 /nfs/dbraw/zinc/49/75/56/492497556.db2.gz SXLMIRBAQVBVFO-UHFFFAOYSA-N -1 3 350.382 0.984 10 0 FCAEHM C[C@@H](CNC(=O)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1)C(=O)[O-] ZINC000655985711 492505417 /nfs/dbraw/zinc/50/54/17/492505417.db2.gz BSABNPMUMZPRTE-IFXJQAMLSA-N -1 3 361.442 0.994 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCO[C@H](c2c(F)cccc2Cl)C1 ZINC000649205062 492509912 /nfs/dbraw/zinc/50/99/12/492509912.db2.gz SHKGGJVELVUBNN-QWRGUYRKSA-N -1 3 355.753 0.977 10 0 FCAEHM CN1CC[C@H](C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)S1(=O)=O ZINC000649212390 492511354 /nfs/dbraw/zinc/51/13/54/492511354.db2.gz MRVVFZNPFRJAAH-SECBINFHSA-N -1 3 357.342 0.722 10 0 FCAEHM CN1CC[C@H](C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)S1(=O)=O ZINC000649212390 492511357 /nfs/dbraw/zinc/51/13/57/492511357.db2.gz MRVVFZNPFRJAAH-SECBINFHSA-N -1 3 357.342 0.722 10 0 FCAEHM CN1CC[C@H](C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)S1(=O)=O ZINC000649212390 492511359 /nfs/dbraw/zinc/51/13/59/492511359.db2.gz MRVVFZNPFRJAAH-SECBINFHSA-N -1 3 357.342 0.722 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)Nc2n[nH]c(C(C)C)c2C)cn1C ZINC000649232211 492513216 /nfs/dbraw/zinc/51/32/16/492513216.db2.gz YFZNKQWYNIVSBD-UHFFFAOYSA-N -1 3 354.436 0.800 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000628571459 492517537 /nfs/dbraw/zinc/51/75/37/492517537.db2.gz SKGFRPBWVNROBF-NOZJJQNGSA-N -1 3 357.288 0.589 10 0 FCAEHM C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C[C@H]1C(=O)[O-] ZINC000656021069 492519028 /nfs/dbraw/zinc/51/90/28/492519028.db2.gz ZWACMFXRJVLJCB-KBUPBQIOSA-N -1 3 351.447 0.689 10 0 FCAEHM CCOc1ccncc1S(=O)(=O)[N-]CC(C)(C)NS(C)(=O)=O ZINC000649751124 492580179 /nfs/dbraw/zinc/58/01/79/492580179.db2.gz YDDUCXKAGFCOQI-UHFFFAOYSA-N -1 3 351.450 0.086 10 0 FCAEHM CNS(=O)(=O)C[C@H]1CCCN(Cc2c([O-])nnn2-c2ccccc2)C1 ZINC000629180735 492584703 /nfs/dbraw/zinc/58/47/03/492584703.db2.gz QFQKGCPONCNEPS-ZDUSSCGKSA-N -1 3 365.459 0.734 10 0 FCAEHM COCCOCCN(CCO)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000629435603 492629131 /nfs/dbraw/zinc/62/91/31/492629131.db2.gz MDZLAHBOLXGBLK-UHFFFAOYSA-N -1 3 351.359 0.059 10 0 FCAEHM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C[NH2+]1 ZINC000624406864 492646467 /nfs/dbraw/zinc/64/64/67/492646467.db2.gz NQXBSULIIZRLIG-MWLCHTKSSA-N -1 3 365.452 0.616 10 0 FCAEHM COCCOc1ccc([N-]S(=O)(=O)C[C@H](OC)[C@@H]2CCOC2)cn1 ZINC000656727955 492646637 /nfs/dbraw/zinc/64/66/37/492646637.db2.gz RBXVTYOVBYUJSE-OCCSQVGLSA-N -1 3 360.432 0.900 10 0 FCAEHM CC(C)CN1CCO[C@H](CNC(=O)CN2CCCC[C@@H]2CC(=O)[O-])C1 ZINC000650506451 492646765 /nfs/dbraw/zinc/64/67/65/492646765.db2.gz MMAKKKZOVOYSNE-HZPDHXFCSA-N -1 3 355.479 0.789 10 0 FCAEHM CN(C)C(=O)COc1ccc(-c2noc([C@H]3CCS(=O)(=O)[N-]3)n2)cc1 ZINC000650550575 492649516 /nfs/dbraw/zinc/64/95/16/492649516.db2.gz KXMIMWSJZKXLQA-GFCCVEGCSA-N -1 3 366.399 0.568 10 0 FCAEHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1ccnc(N2CCOCC2)n1 ZINC000624529811 492656231 /nfs/dbraw/zinc/65/62/31/492656231.db2.gz NXAXRBQATDWRLX-UHFFFAOYSA-N -1 3 352.358 0.746 10 0 FCAEHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1ccnc(N2CCOCC2)n1 ZINC000624529811 492656235 /nfs/dbraw/zinc/65/62/35/492656235.db2.gz NXAXRBQATDWRLX-UHFFFAOYSA-N -1 3 352.358 0.746 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]Cc1nncn1-c1ccccc1)[C@H]1CCOC1 ZINC000656874080 492657441 /nfs/dbraw/zinc/65/74/41/492657441.db2.gz PZHZOPCMIVFSNQ-DZGCQCFKSA-N -1 3 366.443 0.738 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000629763274 492665289 /nfs/dbraw/zinc/66/52/89/492665289.db2.gz LWDJGKSXOJFOQV-UXEPBGEESA-N -1 3 355.394 0.630 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]CC(=O)N(C)C1CCCCC1)[C@@H]1CCOC1 ZINC000656926415 492670350 /nfs/dbraw/zinc/67/03/50/492670350.db2.gz DSSHVBOKJIXQIC-HIFRSBDPSA-N -1 3 362.492 0.748 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@H]1CCN(C2CCCCC2)C1=O)[C@@H]1CCOC1 ZINC000656937051 492673763 /nfs/dbraw/zinc/67/37/63/492673763.db2.gz DXNRDSJVDJSBKD-VNQPRFMTSA-N -1 3 374.503 0.891 10 0 FCAEHM COc1ccc(-c2noc([N-]C3CN(S(=O)(=O)N(C)C)C3)n2)cc1 ZINC000624709316 492674082 /nfs/dbraw/zinc/67/40/82/492674082.db2.gz PSCASTRLMSDFFD-UHFFFAOYSA-N -1 3 353.404 0.648 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-][C@@H](C)C(=O)Nc1cccnc1C)[C@H]1CCOC1 ZINC000657009992 492693032 /nfs/dbraw/zinc/69/30/32/492693032.db2.gz MHPXRBUSQLGOAV-YDHLFZDLSA-N -1 3 371.459 0.688 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]Cc1nccc(C(F)(F)F)n1)[C@H]1CCOC1 ZINC000657013475 492693905 /nfs/dbraw/zinc/69/39/05/492693905.db2.gz UNXXRKJFMOIENT-UWVGGRQHSA-N -1 3 369.365 0.966 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@@H]1CCc2ccccc2NC1=O)[C@H]1CCOC1 ZINC000657024545 492697820 /nfs/dbraw/zinc/69/78/20/492697820.db2.gz YINPYSCFQQPOJP-NUEKZKHPSA-N -1 3 368.455 0.911 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]CCCN2CCCS2(=O)=O)c(F)c1F ZINC000624944508 492700571 /nfs/dbraw/zinc/70/05/71/492700571.db2.gz PSBJYYQMAHTZIY-UHFFFAOYSA-N -1 3 368.427 0.977 10 0 FCAEHM CO[C@@H](C[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)[C@H]1CCOC1 ZINC000657048150 492704163 /nfs/dbraw/zinc/70/41/63/492704163.db2.gz ZMKMZSSLMBOONG-RYUDHWBXSA-N -1 3 363.457 0.420 10 0 FCAEHM CCO[C@@H](CS(=O)(=O)[N-][C@H]1CCN(CC(F)(F)F)C1=O)C1CC1 ZINC000624965371 492704419 /nfs/dbraw/zinc/70/44/19/492704419.db2.gz WUWFBPMLNBSYIT-QWRGUYRKSA-N -1 3 358.382 0.884 10 0 FCAEHM O=S(=O)(N[C@@H](CO)C1CCC1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000657056121 492705776 /nfs/dbraw/zinc/70/57/76/492705776.db2.gz JYTKOUNBOMNTMT-LBPRGKRZSA-N -1 3 357.823 0.959 10 0 FCAEHM O=S(=O)(N[C@@H](CO)C1CCC1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000657056121 492705780 /nfs/dbraw/zinc/70/57/80/492705780.db2.gz JYTKOUNBOMNTMT-LBPRGKRZSA-N -1 3 357.823 0.959 10 0 FCAEHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)c2ncnn21 ZINC000657069416 492709508 /nfs/dbraw/zinc/70/95/08/492709508.db2.gz VRIOSQJKGPWWTK-UWVGGRQHSA-N -1 3 356.429 0.666 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)c2ccnc(N3CCOCC3)n2)n[n-]1 ZINC000629973626 492709764 /nfs/dbraw/zinc/70/97/64/492709764.db2.gz CSONTRCDLVWCAV-UHFFFAOYSA-N -1 3 354.374 0.689 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)c2ccnc(N3CCOCC3)n2)[n-]n1 ZINC000629973626 492709768 /nfs/dbraw/zinc/70/97/68/492709768.db2.gz CSONTRCDLVWCAV-UHFFFAOYSA-N -1 3 354.374 0.689 10 0 FCAEHM C[C@@H]1C[C@H]([N-]S(=O)(=O)[C@@H]2COC(C)(C)C2)C(=O)N1c1cnn(C)c1 ZINC000625025202 492711823 /nfs/dbraw/zinc/71/18/23/492711823.db2.gz DEGOAINXBVZEDI-WXHSDQCUSA-N -1 3 356.448 0.401 10 0 FCAEHM O=S(=O)(Cc1c(F)cccc1F)[N-]C[C@@]1(OCCO)CCOC1 ZINC000657087419 492713661 /nfs/dbraw/zinc/71/36/61/492713661.db2.gz TWAZMUJTBQPZKW-AWEZNQCLSA-N -1 3 351.371 0.552 10 0 FCAEHM CN(CC1CN(C)C1)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1CC1 ZINC000657122850 492725748 /nfs/dbraw/zinc/72/57/48/492725748.db2.gz LLAWZPCMRRSJJV-UHFFFAOYSA-N -1 3 373.500 0.309 10 0 FCAEHM CCC(F)(F)C(C)(C)CS(=O)(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000625112635 492726404 /nfs/dbraw/zinc/72/64/04/492726404.db2.gz GFTQZNBEGLJJGN-VIFPVBQESA-N -1 3 353.391 0.624 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@H]2COC[C@@]2(C)C1 ZINC000657167346 492735795 /nfs/dbraw/zinc/73/57/95/492735795.db2.gz NGJBMSKCBRVTRW-SMDDNHRTSA-N -1 3 360.457 0.252 10 0 FCAEHM CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-][C@@H]1C(=O)NCC[C@@H]1C ZINC000625185035 492736045 /nfs/dbraw/zinc/73/60/45/492736045.db2.gz TZKXZTLAGABUFZ-GLQYFDAESA-N -1 3 358.435 0.827 10 0 FCAEHM COC[C@](C)(O)CC[N-]S(=O)(=O)c1cccnc1OCC(F)F ZINC000625235405 492742571 /nfs/dbraw/zinc/74/25/71/492742571.db2.gz JVRKFFQOSIIADU-CYBMUJFWSA-N -1 3 354.375 0.791 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]C[C@@]2(OCCO)CCOC2)c(F)c1F ZINC000625276736 492749933 /nfs/dbraw/zinc/74/99/33/492749933.db2.gz DBBIWOOVIJNUHY-AWEZNQCLSA-N -1 3 351.371 0.720 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-][C@@H]2C[C@@H]3CCCCN3C2=O)CCOCC1 ZINC000625249022 492745205 /nfs/dbraw/zinc/74/52/05/492745205.db2.gz DOBKYHFCZJSCQX-UONOGXRCSA-N -1 3 360.476 0.645 10 0 FCAEHM CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-][C@H]1CCC(=O)N(C)C1=O ZINC000625257670 492746965 /nfs/dbraw/zinc/74/69/65/492746965.db2.gz IBBXKBWSWYFPFZ-KGLIPLIRSA-N -1 3 372.418 0.450 10 0 FCAEHM CC(C)(C[N-]S(=O)(=O)c1cnnn1-c1ccccc1)[C@@]1(O)CCOC1 ZINC000625267628 492748595 /nfs/dbraw/zinc/74/85/95/492748595.db2.gz ZNWAFVKYWLIDID-MRXNPFEDSA-N -1 3 366.443 0.723 10 0 FCAEHM CO[C@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)c1ccc(C)c(F)c1F ZINC000625278007 492751027 /nfs/dbraw/zinc/75/10/27/492751027.db2.gz KDPNXQCYMWTJJF-BDAKNGLRSA-N -1 3 355.384 0.364 10 0 FCAEHM Cn1ccnc1C([N-]S(=O)(=O)[C@H]1COC(C)(C)C1)c1nccn1C ZINC000625377504 492769118 /nfs/dbraw/zinc/76/91/18/492769118.db2.gz IWWWQBZIGMPSOI-LLVKDONJSA-N -1 3 353.448 0.730 10 0 FCAEHM CC(C)n1cnc(=NC(=O)C(=O)NC[C@@H](C2CCCCC2)N(C)C)[n-]1 ZINC000651502524 492769994 /nfs/dbraw/zinc/76/99/94/492769994.db2.gz OZFYIMSOGCQNJK-AWEZNQCLSA-N -1 3 350.467 0.846 10 0 FCAEHM COC1(CS(=O)(=O)[N-][C@](C)(C(N)=O)c2ccccc2)CCOCC1 ZINC000651542711 492776802 /nfs/dbraw/zinc/77/68/02/492776802.db2.gz QMDXMYFJMULZAQ-HNNXBMFYSA-N -1 3 356.444 0.502 10 0 FCAEHM CO[C@@H]1CN2C(=O)N(CC[N-]S(=O)(=O)c3cccs3)C(=O)[C@@]2(C)C1 ZINC000630977836 492792097 /nfs/dbraw/zinc/79/20/97/492792097.db2.gz JGDZXLZAHUDPKO-IINYFYTJSA-N -1 3 373.456 0.468 10 0 FCAEHM Cc1cc(Br)sc1S(=O)(=O)[N-]CCc1nnnn1C ZINC000651627146 492796670 /nfs/dbraw/zinc/79/66/70/492796670.db2.gz NMVZMUCMSQRLNK-UHFFFAOYSA-N -1 3 366.266 0.864 10 0 FCAEHM CC(C)n1cnc(=NC(=O)C(=O)N2CC[C@H]3[C@H](CCCN3C3CC3)C2)[n-]1 ZINC000651630735 492796692 /nfs/dbraw/zinc/79/66/92/492796692.db2.gz NKIBYTJRPFFKPT-HIFRSBDPSA-N -1 3 360.462 0.695 10 0 FCAEHM O=S1(=O)CCCN1CCN=c1cc(-c2ccccc2)n2[n-]cnc2n1 ZINC000631084514 492797556 /nfs/dbraw/zinc/79/75/56/492797556.db2.gz SSVHPAXHCYVCHP-UHFFFAOYSA-N -1 3 358.427 0.661 10 0 FCAEHM COC1(CS(=O)(=O)[N-]C[C@@H]2CCCCS2(=O)=O)CCOCC1 ZINC000651637909 492798471 /nfs/dbraw/zinc/79/84/71/492798471.db2.gz DHYQLWOLHFWNAN-LBPRGKRZSA-N -1 3 355.478 0.069 10 0 FCAEHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]C[C@@H]2COCCN2C)s1 ZINC000625516896 492806269 /nfs/dbraw/zinc/80/62/69/492806269.db2.gz FVWOMZJKXOAGAK-GFCCVEGCSA-N -1 3 361.489 0.036 10 0 FCAEHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]C[C@@H]2COCCN2C)s1 ZINC000625518152 492807804 /nfs/dbraw/zinc/80/78/04/492807804.db2.gz SYWAVSPXRPVPNZ-CMPLNLGQSA-N -1 3 361.489 0.554 10 0 FCAEHM COCCN(C)CCN1C[C@H](N=c2nc([C@@H](C)OC)[n-]s2)CC1=O ZINC000631307240 492810878 /nfs/dbraw/zinc/81/08/78/492810878.db2.gz NNAZNLNHNDBDLX-VXGBXAGGSA-N -1 3 357.480 0.258 10 0 FCAEHM COCCN(C)CCN1C[C@@H](N=c2nc([C@H](C)OC)[n-]s2)CC1=O ZINC000631307239 492811324 /nfs/dbraw/zinc/81/13/24/492811324.db2.gz NNAZNLNHNDBDLX-RYUDHWBXSA-N -1 3 357.480 0.258 10 0 FCAEHM CC1(C(=O)C[N-]S(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)CCCC1 ZINC000625550448 492817395 /nfs/dbraw/zinc/81/73/95/492817395.db2.gz YBUWURMJRFFAFD-LBPRGKRZSA-N -1 3 351.490 0.880 10 0 FCAEHM CCc1ccncc1NC(=O)C(=O)N1CCC[C@@H]1C[C@]1(C)NC(=O)[N-]C1=O ZINC000651791043 492823027 /nfs/dbraw/zinc/82/30/27/492823027.db2.gz VOVBNXNQILYZKV-XIKOKIGWSA-N -1 3 373.413 0.562 10 0 FCAEHM C[C@@H](O)[C@@H]([N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1)c1ccccc1F ZINC000651794448 492825298 /nfs/dbraw/zinc/82/52/98/492825298.db2.gz ACWOPNXSEOJGSS-YMTOWFKASA-N -1 3 355.391 0.664 10 0 FCAEHM CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-]CC2COC2)s1 ZINC000625587088 492828201 /nfs/dbraw/zinc/82/82/01/492828201.db2.gz KKQVJFVXTKAQEE-UHFFFAOYSA-N -1 3 368.502 0.155 10 0 FCAEHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@H](C2CC2)C2CCOCC2)cn1 ZINC000651821433 492829146 /nfs/dbraw/zinc/82/91/46/492829146.db2.gz OBHICGCRISTPAF-OAHLLOKOSA-N -1 3 374.484 0.969 10 0 FCAEHM CCS(=O)(=O)[N-][C@H](CNS(=O)(=O)CC)c1c(F)cccc1F ZINC000625606504 492835721 /nfs/dbraw/zinc/83/57/21/492835721.db2.gz PCLNUROBQXBNRW-LLVKDONJSA-N -1 3 356.416 0.885 10 0 FCAEHM Cc1nc(C2([N-]S(=O)(=O)C[C@@H]3CN(C)CCO3)CCCCC2)no1 ZINC000631725314 492842785 /nfs/dbraw/zinc/84/27/85/492842785.db2.gz SBXBDTLKPIHLCF-ZDUSSCGKSA-N -1 3 358.464 0.787 10 0 FCAEHM CO[C@H](CNC(=O)C(=O)[N-]c1nccn1-c1ccccc1)[C@H]1CCOC1 ZINC000658184379 492847861 /nfs/dbraw/zinc/84/78/61/492847861.db2.gz USSJLASYWNCHDN-DZGCQCFKSA-N -1 3 358.398 0.979 10 0 FCAEHM CCN1CCN(c2ccc(C[N-]S(=O)(=O)c3conc3C)cn2)CC1 ZINC000631760371 492848456 /nfs/dbraw/zinc/84/84/56/492848456.db2.gz XMPDHFPAZTZDDL-UHFFFAOYSA-N -1 3 365.459 0.998 10 0 FCAEHM Cc1nn(CC2CC2)c(C)c1CC(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000651930756 492849316 /nfs/dbraw/zinc/84/93/16/492849316.db2.gz BTUJHZYZAHDDSL-SFHVURJKSA-N -1 3 359.430 0.653 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N3CC[C@@]4(CC4(F)F)C3)cnc21 ZINC000651934019 492850208 /nfs/dbraw/zinc/85/02/08/492850208.db2.gz SZEPBZZJQGNQFG-CYBMUJFWSA-N -1 3 372.353 0.454 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)Cn2nc(-c3ccccc3)oc2=O)nc1=N ZINC000651979754 492857206 /nfs/dbraw/zinc/85/72/06/492857206.db2.gz HTYWYKBFCVIOBU-GFCCVEGCSA-N -1 3 369.385 0.408 10 0 FCAEHM CCc1cccc(NC(=O)C[N-]S(=O)(=O)[C@H]2CC(=O)N(C3CC3)C2)c1 ZINC000631873797 492867436 /nfs/dbraw/zinc/86/74/36/492867436.db2.gz WHWMXKCSTKABPS-HNNXBMFYSA-N -1 3 365.455 0.870 10 0 FCAEHM CC(C)N1C[C@H]([N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)CC1=O ZINC000631879498 492868206 /nfs/dbraw/zinc/86/82/06/492868206.db2.gz ZENKHUOKHZTKNN-MRVPVSSYSA-N -1 3 354.354 0.727 10 0 FCAEHM CC(C)[C@H]([NH3+])CC[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000658407156 492871893 /nfs/dbraw/zinc/87/18/93/492871893.db2.gz YGISJYPZUALBSI-GFCCVEGCSA-N -1 3 367.468 0.849 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C)[C@H](C)N1CCOCC1 ZINC000631906173 492874855 /nfs/dbraw/zinc/87/48/55/492874855.db2.gz FOQXKHQNDJWZGO-ZJUUUORDSA-N -1 3 370.397 0.826 10 0 FCAEHM Cc1ccc(NC(=O)C[N-]S(=O)(=O)C[C@H]2CNCCO2)c(Cl)c1 ZINC000631915052 492880508 /nfs/dbraw/zinc/88/05/08/492880508.db2.gz CXSQTSNUKHIZRJ-LLVKDONJSA-N -1 3 361.851 0.495 10 0 FCAEHM O=C([N-]c1nccn1-c1ccccc1)C(=O)NC[C@]1(OCCO)CCOC1 ZINC000658425315 492883837 /nfs/dbraw/zinc/88/38/37/492883837.db2.gz RWYBXLOPRDAQBG-GOSISDBHSA-N -1 3 374.397 0.095 10 0 FCAEHM O=C1[C@H]([N-]S(=O)(=O)C[C@@H]2CNCCO2)CCCN1c1ccccc1F ZINC000631928708 492890009 /nfs/dbraw/zinc/89/00/09/492890009.db2.gz LBAVHHIUBPTBHM-GXTWGEPZSA-N -1 3 371.434 0.229 10 0 FCAEHM CCN1C[C@@H](S(=O)(=O)[N-][C@@H]2CCN(c3ccccc3F)C2=O)CC1=O ZINC000631953899 492897638 /nfs/dbraw/zinc/89/76/38/492897638.db2.gz VXAZVRXCXBWESR-WCQYABFASA-N -1 3 369.418 0.471 10 0 FCAEHM O=C1C[C@@H](S(=O)(=O)[N-]C[C@H]2OCCc3ccccc32)CN1C1CC1 ZINC000631959447 492898740 /nfs/dbraw/zinc/89/87/40/492898740.db2.gz UEACMOWRJIQDOY-GDBMZVCRSA-N -1 3 350.440 0.983 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]Cc2cccc(C(N)=O)c2)coc1C(=O)N(C)C ZINC000645459156 492909126 /nfs/dbraw/zinc/90/91/26/492909126.db2.gz LBRCIHBMDRTLSF-UHFFFAOYSA-N -1 3 365.411 0.867 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@](C)(C(N)=O)c1ccccc1)C1CCOCC1 ZINC000645506473 492916516 /nfs/dbraw/zinc/91/65/16/492916516.db2.gz PPPIHLSZIGNDTE-WBVHZDCISA-N -1 3 370.471 0.748 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]CC(=O)Nc1cccnc1)C1CCOCC1 ZINC000645511688 492917087 /nfs/dbraw/zinc/91/70/87/492917087.db2.gz MMSDRKKWIAGYID-CQSZACIVSA-N -1 3 357.432 0.381 10 0 FCAEHM C[C@@H]1C[C@@H]1N1C[C@@H]([N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)CC1=O ZINC000632047307 492918889 /nfs/dbraw/zinc/91/88/89/492918889.db2.gz HRCWVSURADHLSO-WEDXCCLWSA-N -1 3 366.365 0.727 10 0 FCAEHM O=C1C[C@@H](S(=O)(=O)[N-][C@@H]2CCN(C3CCCCC3)C2=O)CN1C1CC1 ZINC000632112432 492932518 /nfs/dbraw/zinc/93/25/18/492932518.db2.gz BUMRANCKAPSZHU-HUUCEWRRSA-N -1 3 369.487 0.603 10 0 FCAEHM O=S(=O)(C[C@@H]1CCC1(F)F)NCC[N-]S(=O)(=O)c1cccs1 ZINC000632128622 492935333 /nfs/dbraw/zinc/93/53/33/492935333.db2.gz GWKZLLBDWOKJLA-VIFPVBQESA-N -1 3 374.456 0.991 10 0 FCAEHM COC[C@@H](CCO)[N-]S(=O)(=O)Cc1ncsc1Br ZINC000632148740 492939668 /nfs/dbraw/zinc/93/96/68/492939668.db2.gz BUASHYGPFQHCBO-SSDOTTSWSA-N -1 3 359.267 0.722 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]C[C@@]1(CCO)CCOC1 ZINC000632149556 492939801 /nfs/dbraw/zinc/93/98/01/492939801.db2.gz ZDVWIDYETKBVNN-LLVKDONJSA-N -1 3 357.354 0.506 10 0 FCAEHM CNC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000632146756 492939966 /nfs/dbraw/zinc/93/99/66/492939966.db2.gz RCJCOJHCQLVFPW-VIFPVBQESA-N -1 3 356.370 0.878 10 0 FCAEHM COc1ncc(S(=O)(=O)N2CCc3nc[n-]c(=O)c3C2)cc1Cl ZINC000645617396 492942401 /nfs/dbraw/zinc/94/24/01/492942401.db2.gz GAXSZOQBHXRFJS-UHFFFAOYSA-N -1 3 356.791 0.986 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@H](CCO)C2CCOCC2)coc1C(=O)N(C)C ZINC000645652158 492954880 /nfs/dbraw/zinc/95/48/80/492954880.db2.gz RVTOJPXERZOBFM-CYBMUJFWSA-N -1 3 374.459 0.746 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@H]2CCn3ccnc3C2)coc1C(=O)N(C)C ZINC000645658511 492955922 /nfs/dbraw/zinc/95/59/22/492955922.db2.gz RNEWZDOHKMUHII-NSHDSACASA-N -1 3 352.416 0.780 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@@H]2CCn3ccnc3C2)coc1C(=O)N(C)C ZINC000645658509 492956028 /nfs/dbraw/zinc/95/60/28/492956028.db2.gz RNEWZDOHKMUHII-LLVKDONJSA-N -1 3 352.416 0.780 10 0 FCAEHM O=C(NCc1ccc2c(c1)OC(F)(F)O2)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000645660721 492956694 /nfs/dbraw/zinc/95/66/94/492956694.db2.gz JHRLVCGKLNCEAQ-SECBINFHSA-N -1 3 368.296 0.454 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]CC1(S(C)(=O)=O)CCC1)C1CCOCC1 ZINC000645689917 492961022 /nfs/dbraw/zinc/96/10/22/492961022.db2.gz UHRFLKMYOXGHTB-ZDUSSCGKSA-N -1 3 369.505 0.315 10 0 FCAEHM CCOC1CC(O)(C[N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)C1 ZINC000632281487 492964370 /nfs/dbraw/zinc/96/43/70/492964370.db2.gz AFVJVRVWRZNGHG-UHFFFAOYSA-N -1 3 357.354 0.647 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C)C(=O)N1CCCC1 ZINC000632301829 492968731 /nfs/dbraw/zinc/96/87/31/492968731.db2.gz ODYJQCMHGQOYOS-QMMMGPOBSA-N -1 3 354.354 0.728 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-][C@@H](C(C)C)[C@H](O)C(F)(F)F)[C@@H]1CCOC1 ZINC000632306198 492969174 /nfs/dbraw/zinc/96/91/74/492969174.db2.gz NEWVJMRPLRBRRW-RHYQMDGZSA-N -1 3 363.398 0.905 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]Cc1nn(C)cc1Cl)C1CCOCC1 ZINC000645746516 492969298 /nfs/dbraw/zinc/96/92/98/492969298.db2.gz SUNYFCLDMOHTPC-ZDUSSCGKSA-N -1 3 351.856 0.935 10 0 FCAEHM Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC000626424102 492975396 /nfs/dbraw/zinc/97/53/96/492975396.db2.gz ISUVFUXOOSUWIW-UHFFFAOYSA-N -1 3 366.374 0.476 10 0 FCAEHM NC(=O)C1(NC(=O)Cc2ccc(Br)cc2[O-])CCOCC1 ZINC000645834921 492980532 /nfs/dbraw/zinc/98/05/32/492980532.db2.gz ZWLBXUFRVVWQBK-UHFFFAOYSA-N -1 3 357.204 0.848 10 0 FCAEHM CCN1C[C@@H](S(=O)(=O)[N-]Cc2nn(C)cc2Br)CC1=O ZINC000632409712 492992371 /nfs/dbraw/zinc/99/23/71/492992371.db2.gz HTJUFMLKPIKSNA-QMMMGPOBSA-N -1 3 365.253 0.223 10 0 FCAEHM CN1CCO[C@H](CS(=O)(=O)[N-][C@@H]2CCN(c3ccc(F)cc3)C2=O)C1 ZINC000632457468 493000743 /nfs/dbraw/zinc/00/07/43/493000743.db2.gz GLHAWSFSKMVJNX-LSDHHAIUSA-N -1 3 371.434 0.181 10 0 FCAEHM CC(C)n1ncnc1CNC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000626753926 493013019 /nfs/dbraw/zinc/01/30/19/493013019.db2.gz BUPJEMVGEXBUNI-UHFFFAOYSA-N -1 3 357.461 0.905 10 0 FCAEHM CN(C)C1(CS(=O)(=O)[N-]C[C@H]2CS(=O)(=O)c3ccccc3O2)CC1 ZINC000632497244 493013219 /nfs/dbraw/zinc/01/32/19/493013219.db2.gz BTJPFCPSEFXJGR-LBPRGKRZSA-N -1 3 374.484 0.235 10 0 FCAEHM C[C@H](O)[C@H]([N-]S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1)c1ccccc1F ZINC000632508543 493017289 /nfs/dbraw/zinc/01/72/89/493017289.db2.gz GYVDJRWZRZTYLT-PKWAYOAASA-N -1 3 356.419 0.930 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)NCC[C@@]1(O)CCOC1 ZINC000652807532 493021619 /nfs/dbraw/zinc/02/16/19/493021619.db2.gz OVVQTJQJDXXJGI-GFCCVEGCSA-N -1 3 368.864 0.338 10 0 FCAEHM CN1CCO[C@@H](CS(=O)(=O)[N-][C@@H]2CCc3ccccc3NC2=O)C1 ZINC000632536570 493023491 /nfs/dbraw/zinc/02/34/91/493023491.db2.gz PHLRAWHEOWWVRZ-UKRRQHHQSA-N -1 3 353.444 0.190 10 0 FCAEHM CN1C2(CCC2)COC[C@@]1(CO)C[N-]S(=O)(=O)C[C@@H]1CCC1(F)F ZINC000632592109 493039768 /nfs/dbraw/zinc/03/97/68/493039768.db2.gz PISBZOQKZSNEOO-JSGCOSHPSA-N -1 3 368.446 0.567 10 0 FCAEHM CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2C)s1 ZINC000632630597 493053158 /nfs/dbraw/zinc/05/31/58/493053158.db2.gz MVVCYMFETSKNAL-MWLCHTKSSA-N -1 3 352.503 0.917 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC(C)(C)O[C@@H]3COC[C@H]32)c(C)o1 ZINC000653006108 493057562 /nfs/dbraw/zinc/05/75/62/493057562.db2.gz DXKIZWNDWKGKBR-VXGBXAGGSA-N -1 3 358.416 0.515 10 0 FCAEHM Cn1cc(-c2ccc(=NC(=O)NC[C@@H]3CCCCN3CCO)[n-]n2)cn1 ZINC000653046426 493064102 /nfs/dbraw/zinc/06/41/02/493064102.db2.gz JDCVOLQWGFLBQZ-AWEZNQCLSA-N -1 3 359.434 0.267 10 0 FCAEHM C[C@]1(CNC(=O)NCc2nc(CN)cc(=O)[n-]2)COc2ccccc2O1 ZINC000627121192 493091875 /nfs/dbraw/zinc/09/18/75/493091875.db2.gz XWMAKAIJUZQVED-KRWDZBQOSA-N -1 3 359.386 0.670 10 0 FCAEHM CCn1c(=O)[n-]c(=O)c2c(C(=O)NC3COCCOC3)cc(C3CC3)nc21 ZINC000646802028 493099211 /nfs/dbraw/zinc/09/92/11/493099211.db2.gz XVIIGNJTKFVLPW-UHFFFAOYSA-N -1 3 374.397 0.540 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H]2CC[C@H]3C[C@H]3C2)ccc1F ZINC000646923925 493127768 /nfs/dbraw/zinc/12/77/68/493127768.db2.gz XKORPBGQAUNZLG-GARJFASQSA-N -1 3 369.418 0.977 10 0 FCAEHM CN1C[C@H]2CCN(C(=O)C[N-]S(=O)(=O)c3c(F)cccc3F)[C@H]2C1 ZINC000646925959 493127908 /nfs/dbraw/zinc/12/79/08/493127908.db2.gz XNBFNTKUCKXGMS-MFKMUULPSA-N -1 3 359.398 0.406 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC[C@@H](c3cccnc3)C2)c1 ZINC000633541601 493163466 /nfs/dbraw/zinc/16/34/66/493163466.db2.gz IJTIFBJAPVRAPZ-CQSZACIVSA-N -1 3 363.443 0.500 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(C(=O)Cn2cnc3c(c2=O)COCC3)cc1 ZINC000647165924 493172486 /nfs/dbraw/zinc/17/24/86/493172486.db2.gz OGUNEDKKNFBTHN-UHFFFAOYSA-N -1 3 363.395 0.570 10 0 FCAEHM CCC1(CC)CN(Cc2nc3c(cnn3C)c(=O)[n-]2)CCS1(=O)=O ZINC000681711904 493208607 /nfs/dbraw/zinc/20/86/07/493208607.db2.gz UHTLPKQYCNCHDJ-UHFFFAOYSA-N -1 3 353.448 0.858 10 0 FCAEHM O=C(N[C@H](C[C@H]1CCCO1)C(F)(F)F)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000654265079 493219566 /nfs/dbraw/zinc/21/95/66/493219566.db2.gz ZZYCECKBKXIUDQ-OPRDCNLKSA-N -1 3 364.324 0.432 10 0 FCAEHM CC[C@@H]1CN(C(=O)NCc2nc(CN)cc(=O)[n-]2)C[C@]2(CCOC2)O1 ZINC000659629539 493222913 /nfs/dbraw/zinc/22/29/13/493222913.db2.gz GOGCUNUUXJUWKK-WBMJQRKESA-N -1 3 351.407 0.120 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H]2CN(C)C(=O)N2)cc1OC ZINC000666866359 493231578 /nfs/dbraw/zinc/23/15/78/493231578.db2.gz NLQLDQKIYMLPNZ-LLVKDONJSA-N -1 3 356.404 0.419 10 0 FCAEHM O=C([O-])C1(CNC(=O)C(=O)N2CCCN(C3CCCC3)CC2)CCC1 ZINC000659668103 493240807 /nfs/dbraw/zinc/24/08/07/493240807.db2.gz SWBIATBWLPRLMJ-UHFFFAOYSA-N -1 3 351.447 0.834 10 0 FCAEHM CCN1CC[C@@H](NC(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C)c2)C1=O ZINC000672769939 493248328 /nfs/dbraw/zinc/24/83/28/493248328.db2.gz KYPGZKXRCLUINK-LLVKDONJSA-N -1 3 358.395 0.476 10 0 FCAEHM COc1cccc(CNC(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)[N-]C2=O)n1 ZINC000672798615 493252055 /nfs/dbraw/zinc/25/20/55/493252055.db2.gz GCXUNWHQHSIOCQ-PXAZEXFGSA-N -1 3 361.402 0.752 10 0 FCAEHM O=C(NCCc1nsc2ccccc12)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000667097100 493257999 /nfs/dbraw/zinc/25/79/99/493257999.db2.gz OGGNWUNAXAQNME-GFCCVEGCSA-N -1 3 359.411 0.784 10 0 FCAEHM Cc1ccc([C@@H]2CCN(C(=O)C(=O)NCc3nc(CN)cc(=O)[n-]3)C2)cc1 ZINC000659747784 493284323 /nfs/dbraw/zinc/28/43/23/493284323.db2.gz JPZRMXDUBJQCIY-CQSZACIVSA-N -1 3 369.425 0.582 10 0 FCAEHM COCCCn1nc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)ccc1=O ZINC000667857388 493305150 /nfs/dbraw/zinc/30/51/50/493305150.db2.gz KGCXLRMGHUZTPW-UHFFFAOYSA-N -1 3 355.358 0.712 10 0 FCAEHM COCCCn1nc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)ccc1=O ZINC000667857388 493305151 /nfs/dbraw/zinc/30/51/51/493305151.db2.gz KGCXLRMGHUZTPW-UHFFFAOYSA-N -1 3 355.358 0.712 10 0 FCAEHM Cn1ccnc1COCC(=O)NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000667895402 493307783 /nfs/dbraw/zinc/30/77/83/493307783.db2.gz SAAULOFHZCNWIL-SFHVURJKSA-N -1 3 371.397 0.308 10 0 FCAEHM CCc1nc(S(=O)(=O)[N-]C[C@@H]2CCCCN2CCO)cn1CC1CC1 ZINC000659970360 493310039 /nfs/dbraw/zinc/31/00/39/493310039.db2.gz KDRIDLVVDJPLQZ-HNNXBMFYSA-N -1 3 370.519 0.981 10 0 FCAEHM O=S(=O)([N-]C[C@]1(CO)COCCN1Cc1ccccc1)c1ccco1 ZINC000660032415 493317485 /nfs/dbraw/zinc/31/74/85/493317485.db2.gz IAKQQOSKWHKGPX-KRWDZBQOSA-N -1 3 366.439 0.821 10 0 FCAEHM CCS(=O)(=O)C1(C[N-]S(=O)(=O)c2cnc(NC(C)=O)s2)CC1 ZINC000660045188 493318450 /nfs/dbraw/zinc/31/84/50/493318450.db2.gz ZCVSFHQNPJKPGV-UHFFFAOYSA-N -1 3 367.474 0.347 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)NC(C)(C3CC3)C3CC3)cnc21 ZINC000660044494 493318474 /nfs/dbraw/zinc/31/84/74/493318474.db2.gz MPTXANDMHVXDFJ-UHFFFAOYSA-N -1 3 364.427 0.891 10 0 FCAEHM CCS(=O)(=O)C1(C[N-]S(=O)(=O)C[C@H](OC)C2CCOCC2)CC1 ZINC000660045056 493318592 /nfs/dbraw/zinc/31/85/92/493318592.db2.gz XOBJWSMERQXVEA-ZDUSSCGKSA-N -1 3 369.505 0.315 10 0 FCAEHM NC(=O)CC1(C[N-]S(=O)(=O)c2cnn3c2OCCC3)CCCCC1 ZINC000660114017 493326638 /nfs/dbraw/zinc/32/66/38/493326638.db2.gz UNRRDZLVFUEPHX-UHFFFAOYSA-N -1 3 356.448 0.770 10 0 FCAEHM C[C@H]1C(=O)Nc2cc(C(=O)N3CCC[C@H]3c3nc(=N)n(C)[n-]3)ccc2N1C ZINC000673441692 493329487 /nfs/dbraw/zinc/32/94/87/493329487.db2.gz AIDFXOCTIKCREC-HZMBPMFUSA-N -1 3 369.429 0.982 10 0 FCAEHM COCCN(C(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)[C@H]1CCOC1 ZINC000683891746 493377237 /nfs/dbraw/zinc/37/72/37/493377237.db2.gz MJJFQZRFOAUNNT-KBXCAEBGSA-N -1 3 361.398 0.619 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000673959530 493377326 /nfs/dbraw/zinc/37/73/26/493377326.db2.gz NFGIKTDKRULYOG-HNNXBMFYSA-N -1 3 357.410 0.830 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)NC[C@H](C)c2ccncc2)cn1C ZINC000674121574 493391455 /nfs/dbraw/zinc/39/14/55/493391455.db2.gz COSDZFVXQQUPIU-NSHDSACASA-N -1 3 351.432 0.322 10 0 FCAEHM O=C([C@H]1CCCN1Cc1ccccn1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000684078771 493392699 /nfs/dbraw/zinc/39/26/99/493392699.db2.gz JYTJFUGREXCEPW-RDTXWAMCSA-N -1 3 357.414 0.247 10 0 FCAEHM O=C(CC[C@H]1NC(=O)[N-]C1=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC000684703085 493429115 /nfs/dbraw/zinc/42/91/15/493429115.db2.gz LZCOMYBSCCDNKX-RRFJBIMHSA-N -1 3 353.382 0.833 10 0 FCAEHM O=C(N[C@H]1CCNC1=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000661380565 493431964 /nfs/dbraw/zinc/43/19/64/493431964.db2.gz OEKOMEUNKXBTRG-NSHDSACASA-N -1 3 372.472 0.089 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)N1C[C@@H](O)CC(F)(F)C1 ZINC000685831571 493518259 /nfs/dbraw/zinc/51/82/59/493518259.db2.gz JOJQRSXGJQLHGU-VIFPVBQESA-N -1 3 352.334 0.333 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)N1CC(C2CCOCC2)C1 ZINC000685845028 493519594 /nfs/dbraw/zinc/51/95/94/493519594.db2.gz SYIRKAOMGHKTAG-UHFFFAOYSA-N -1 3 356.419 0.989 10 0 FCAEHM CC(C)(C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)n1cc(N)cn1 ZINC000662504043 493521684 /nfs/dbraw/zinc/52/16/84/493521684.db2.gz OCOBBGAKANYJRW-UHFFFAOYSA-N -1 3 357.414 0.891 10 0 FCAEHM CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000669752897 493524668 /nfs/dbraw/zinc/52/46/68/493524668.db2.gz JZDYNYNBRZLMJP-KCJUWKMLSA-N -1 3 355.395 0.545 10 0 FCAEHM CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000669752897 493524670 /nfs/dbraw/zinc/52/46/70/493524670.db2.gz JZDYNYNBRZLMJP-KCJUWKMLSA-N -1 3 355.395 0.545 10 0 FCAEHM CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000669752897 493524671 /nfs/dbraw/zinc/52/46/71/493524671.db2.gz JZDYNYNBRZLMJP-KCJUWKMLSA-N -1 3 355.395 0.545 10 0 FCAEHM Cc1c(CC(=O)NCc2nc(CN)cc(=O)[n-]2)nnn1-c1ccc(C)cc1 ZINC000662750325 493537051 /nfs/dbraw/zinc/53/70/51/493537051.db2.gz ATRHQVZYAMZOAB-UHFFFAOYSA-N -1 3 367.413 0.697 10 0 FCAEHM CCN1CC[C@H](NC(=O)Nc2ccc(C[C@H]3NC(=O)[N-]C3=O)cc2)C1=O ZINC000669978299 493537850 /nfs/dbraw/zinc/53/78/50/493537850.db2.gz UFPAWQRGZIXTDF-QWHCGFSZSA-N -1 3 359.386 0.179 10 0 FCAEHM NCc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)n1 ZINC000662753368 493538345 /nfs/dbraw/zinc/53/83/45/493538345.db2.gz PXSXGYVWDBHWEP-CHWSQXEVSA-N -1 3 356.382 0.832 10 0 FCAEHM COc1ccc(NC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)c(C(F)(F)F)n1 ZINC000669988094 493538816 /nfs/dbraw/zinc/53/88/16/493538816.db2.gz URFOKLPMMJMXJO-QMMMGPOBSA-N -1 3 373.291 0.877 10 0 FCAEHM CCN1CC[C@H](NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)C1=O ZINC000670049513 493543433 /nfs/dbraw/zinc/54/34/33/493543433.db2.gz ROKHKJACGXIFOJ-AWEZNQCLSA-N -1 3 360.414 0.480 10 0 FCAEHM C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])[C@@H]1CN(C)CCO1 ZINC000676349317 493546911 /nfs/dbraw/zinc/54/69/11/493546911.db2.gz VJIGLIHYVDVYIO-QRTARXTBSA-N -1 3 361.442 0.832 10 0 FCAEHM COC[C@@H](O)CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000676534106 493556855 /nfs/dbraw/zinc/55/68/55/493556855.db2.gz KYJVRXWLNXBJKG-JTQLQIEISA-N -1 3 371.390 0.692 10 0 FCAEHM C[C@@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1)C(C)(C)O ZINC000676852711 493574334 /nfs/dbraw/zinc/57/43/34/493574334.db2.gz VQVKVQCOFVZODS-MRVPVSSYSA-N -1 3 354.425 0.635 10 0 FCAEHM O[C@@H]1C[C@H](N=c2cc(N[C@H]3C[C@@H](O)C34CCC4)n3[n-]cnc3n2)C12CCC2 ZINC000664466746 493661754 /nfs/dbraw/zinc/66/17/54/493661754.db2.gz NLPCORLUNVQGQQ-IGQOVBAYSA-N -1 3 370.457 0.977 10 0 FCAEHM Cc1nc(S(=O)(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)[N-]C2=O)sc1C ZINC000671698443 493703369 /nfs/dbraw/zinc/70/33/69/493703369.db2.gz DDBXZALDCZECEM-YGRLFVJLSA-N -1 3 372.472 0.901 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2C(F)(F)F)cn1 ZINC000681191631 493749756 /nfs/dbraw/zinc/74/97/56/493749756.db2.gz PCUUTZJHTFHDTE-VIFPVBQESA-N -1 3 353.322 0.393 10 0 FCAEHM COCc1n[n-]c(CNC(=O)Nc2cccn(CC(F)(F)F)c2=O)n1 ZINC000666318393 493771017 /nfs/dbraw/zinc/77/10/17/493771017.db2.gz XDGIRPSOEPUIIG-UHFFFAOYSA-N -1 3 360.296 0.997 10 0 FCAEHM COC(=O)c1sc2[n-]c(CN3CCO[C@H]([C@@H](C)O)C3)nc(=O)c2c1C ZINC000412086423 534396490 /nfs/dbraw/zinc/39/64/90/534396490.db2.gz NRKZHELLJZFYFM-ZJUUUORDSA-N -1 3 367.427 0.661 10 0 FCAEHM CCN(CC)CC(=O)N1CC[C@H](N(C)Cc2cc(=O)[n-]c(N(C)C)n2)C1 ZINC000276496911 520575607 /nfs/dbraw/zinc/57/56/07/520575607.db2.gz PEYOGIGOFJSSMK-HNNXBMFYSA-N -1 3 364.494 0.623 10 0 FCAEHM CN(CC(=O)[O-])C[C@H]1CN(C(=O)C[C@@H]2OCCc3ccccc32)CCO1 ZINC000275614444 522526389 /nfs/dbraw/zinc/52/63/89/522526389.db2.gz ITFZAXANZKUEAZ-RDJZCZTQSA-N -1 3 362.426 0.934 10 0 FCAEHM COC[C@](C)(O)CCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000452365295 536645453 /nfs/dbraw/zinc/64/54/53/536645453.db2.gz UKYNYXAKLYJOQF-RDTXWAMCSA-N -1 3 350.415 0.901 10 0 FCAEHM CO[C@H]1COCC[C@@H]1CNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000452654331 536769044 /nfs/dbraw/zinc/76/90/44/536769044.db2.gz UTQFHSIUZCULDV-SCRDCRAPSA-N -1 3 374.434 0.660 10 0 FCAEHM COC[C@@](C)(O)CCNC(=O)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000452366959 536808986 /nfs/dbraw/zinc/80/89/86/536808986.db2.gz WBORTGDYEXIOBS-SFHVURJKSA-N -1 3 361.398 0.162 10 0 FCAEHM Cn1ccc(S(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)c2ccnn2C)n1 ZINC000592106650 546608830 /nfs/dbraw/zinc/60/88/30/546608830.db2.gz KJUMMMDBOWYMRX-LBPRGKRZSA-N -1 3 355.420 0.515 10 0 FCAEHM COC(=O)c1cc([N-]S(=O)(=O)C[C@H](OC)C2CCOCC2)cn1C ZINC000592352277 546629288 /nfs/dbraw/zinc/62/92/88/546629288.db2.gz ZSEQUGOIAMGTMJ-AWEZNQCLSA-N -1 3 360.432 0.995 10 0 FCAEHM COC(=O)c1c(C)nc(=O)[n-]c1SC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000592343313 546633340 /nfs/dbraw/zinc/63/33/40/546633340.db2.gz PCKCGXQTNWYKGF-SECBINFHSA-N -1 3 361.445 0.651 10 0 FCAEHM COC(=O)[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccnn1C ZINC000592892612 546673460 /nfs/dbraw/zinc/67/34/60/546673460.db2.gz UYXKXYQIEFPFGD-CYBMUJFWSA-N -1 3 366.399 0.436 10 0 FCAEHM CC[C@@H](CNC(=O)CC[N-]S(=O)(=O)c1ccccc1F)C(=O)OC ZINC000592868387 546673954 /nfs/dbraw/zinc/67/39/54/546673954.db2.gz LWSNXQKMWZCIEY-NSHDSACASA-N -1 3 360.407 0.810 10 0 FCAEHM COC(=O)[C@H](CCF)[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000593632981 546724069 /nfs/dbraw/zinc/72/40/69/546724069.db2.gz ZGDOCCGWEZHIOD-JTQLQIEISA-N -1 3 352.409 0.564 10 0 FCAEHM COC(=O)[C@H](CCF)NC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000593802184 546752937 /nfs/dbraw/zinc/75/29/37/546752937.db2.gz RWTMDTLHKQEJAH-ZBEGNZNMSA-N -1 3 351.334 0.372 10 0 FCAEHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]C[C@](C)(CO)OC)s1 ZINC000594484392 546797673 /nfs/dbraw/zinc/79/76/73/546797673.db2.gz JPVPUFJUWLZXPX-GFCCVEGCSA-N -1 3 353.418 0.219 10 0 FCAEHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@H](OC)[C@H]2CCOC2)c1 ZINC000594798715 546826455 /nfs/dbraw/zinc/82/64/55/546826455.db2.gz ADHKHOBRPGDOEK-HZMBPMFUSA-N -1 3 361.391 0.942 10 0 FCAEHM COC[C@H]([N-]S(=O)(=O)c1csnc1C(=O)OC)C1CCOCC1 ZINC000594799250 546826588 /nfs/dbraw/zinc/82/65/88/546826588.db2.gz KWOPDBCIUSWSMQ-JTQLQIEISA-N -1 3 364.445 0.650 10 0 FCAEHM COC(=O)c1nscc1S(=O)(=O)[N-]C[C@@H](OC)[C@@H]1CCOC1 ZINC000594805053 546828903 /nfs/dbraw/zinc/82/89/03/546828903.db2.gz RWADSXMJZRDFML-RKDXNWHRSA-N -1 3 350.418 0.260 10 0 FCAEHM COCc1nc(C[N-]S(=O)(=O)c2ccc(C)cc2C(=O)OC)n[nH]1 ZINC000594828979 546838214 /nfs/dbraw/zinc/83/82/14/546838214.db2.gz ZEHPMQOIMKAXIZ-UHFFFAOYSA-N -1 3 354.388 0.525 10 0 FCAEHM COCc1nc(C[N-]S(=O)(=O)c2cc(F)cc(C(=O)OC)c2)n[nH]1 ZINC000594828693 546838567 /nfs/dbraw/zinc/83/85/67/546838567.db2.gz VITUHEOSZYFODB-UHFFFAOYSA-N -1 3 358.351 0.355 10 0 FCAEHM C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000289504550 546873922 /nfs/dbraw/zinc/87/39/22/546873922.db2.gz ULINSGGMYSDWMC-YUMQZZPRSA-N -1 3 364.328 0.054 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(C[C@H](C)CS(C)(=O)=O)CC2)n[n-]1 ZINC000373116137 546897086 /nfs/dbraw/zinc/89/70/86/546897086.db2.gz RZGXDISANSPHLX-NSHDSACASA-N -1 3 358.464 0.842 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(C[C@H](C)CS(C)(=O)=O)CC2)[n-]1 ZINC000373116137 546897092 /nfs/dbraw/zinc/89/70/92/546897092.db2.gz RZGXDISANSPHLX-NSHDSACASA-N -1 3 358.464 0.842 10 0 FCAEHM CCOC(=O)c1n[n-]c(C2CCN(C[C@H](C)CS(C)(=O)=O)CC2)n1 ZINC000373116137 546897095 /nfs/dbraw/zinc/89/70/95/546897095.db2.gz RZGXDISANSPHLX-NSHDSACASA-N -1 3 358.464 0.842 10 0 FCAEHM O=C(Cc1cscc1Br)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000551706333 547160296 /nfs/dbraw/zinc/16/02/96/547160296.db2.gz ZSZQUXFUQNJTMZ-VIFPVBQESA-N -1 3 358.217 0.816 10 0 FCAEHM CNC(=O)CC(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000552931918 547240678 /nfs/dbraw/zinc/24/06/78/547240678.db2.gz DDKOYHYJRDSSBB-UHFFFAOYSA-N -1 3 368.242 0.524 10 0 FCAEHM Cc1ncc(S(=O)(=O)[N-][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)s1 ZINC000553550181 547287883 /nfs/dbraw/zinc/28/78/83/547287883.db2.gz LGPWNFXTCXMYMH-SNVBAGLBSA-N -1 3 368.506 0.001 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N[C@@H]2CC[C@H]2C)s1 ZINC000553728631 547303383 /nfs/dbraw/zinc/30/33/83/547303383.db2.gz FEHWSKYCLOMRGK-BXKDBHETSA-N -1 3 359.473 0.577 10 0 FCAEHM COC(=O)c1cncnc1NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000553544322 547366945 /nfs/dbraw/zinc/36/69/45/547366945.db2.gz VJJGPQOGJZJMBL-UHFFFAOYSA-N -1 3 372.353 0.932 10 0 FCAEHM O=C(CC[C@H]1NC(=O)[N-]C1=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000188777735 547407034 /nfs/dbraw/zinc/40/70/34/547407034.db2.gz LUZQFEHBCJNFAD-CQSZACIVSA-N -1 3 364.833 0.803 10 0 FCAEHM CC[C@H]1CN(C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)CCN1C[C@H](C)O ZINC000248683499 674538655 /nfs/dbraw/zinc/53/86/55/674538655.db2.gz RDFUJSFDWZDDEJ-AVGNSLFASA-N -1 3 367.412 0.993 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)[C@@H]1CSCN1C(=O)c1ccccc1 ZINC000898729080 665905116 /nfs/dbraw/zinc/90/51/16/665905116.db2.gz CIYJAJCQQRSLOV-KGLIPLIRSA-N -1 3 360.439 0.830 10 0 FCAEHM O=C([N-]NC(=S)NCCN1CCOCC1)c1ccc2ccccc2n1 ZINC000042083170 665911185 /nfs/dbraw/zinc/91/11/85/665911185.db2.gz PMQYORLNBJMXGD-UHFFFAOYSA-N -1 3 359.455 0.676 10 0 FCAEHM CCC(=O)N1CSC[C@@H]1C(=O)N1CCN(c2nc(C)cc(=O)[n-]2)CC1 ZINC000899500644 665943429 /nfs/dbraw/zinc/94/34/29/665943429.db2.gz MHWNZIPTEXRRTR-GFCCVEGCSA-N -1 3 365.459 0.451 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2[C@@H]3CC[C@H]2CC(=O)N(C)C3)c(C)o1 ZINC000899838375 665964174 /nfs/dbraw/zinc/96/41/74/665964174.db2.gz QAEOLJZWNOBWSQ-WDEREUQCSA-N -1 3 355.416 0.331 10 0 FCAEHM COC(=O)c1ccoc1S(=O)(=O)[N-]C[C@@H](C)CN1CCN(C)CC1 ZINC000866873062 663472902 /nfs/dbraw/zinc/47/29/02/663472902.db2.gz LKAPHIZKLDPSQA-GFCCVEGCSA-N -1 3 359.448 0.228 10 0 FCAEHM CN1CCC[C@H](NC(=O)N[N-]C(=O)c2csc(N3CCOCC3)n2)C1 ZINC000052589814 663614381 /nfs/dbraw/zinc/61/43/81/663614381.db2.gz GWQDTJZVAVSCOH-NSHDSACASA-N -1 3 368.463 0.018 10 0 FCAEHM CN(CCS(C)(=O)=O)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000728081700 665121801 /nfs/dbraw/zinc/12/18/01/665121801.db2.gz NQOZCZQQQYEEQZ-CYBMUJFWSA-N -1 3 354.428 0.500 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@@H]2CC(=O)N(C3CC3)C2)c(Br)n1 ZINC000866916211 665159553 /nfs/dbraw/zinc/15/95/53/665159553.db2.gz QYHOKBIPBPOTBO-SSDOTTSWSA-N -1 3 363.237 0.224 10 0 FCAEHM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]CC[C@@H](C)[S@](C)=O ZINC000751506930 665166205 /nfs/dbraw/zinc/16/62/05/665166205.db2.gz RWRQWJJGHZKBCQ-ZEDNOMKYSA-N -1 3 351.450 0.330 10 0 FCAEHM CN1CC(=O)N(CC(=O)N[N-]C(=O)c2ccccc2Br)C1=O ZINC000007913456 665223783 /nfs/dbraw/zinc/22/37/83/665223783.db2.gz ULQQYDVYMHREOZ-UHFFFAOYSA-N -1 3 369.175 0.104 10 0 FCAEHM COCCN(C)CCNC(=O)N1CCOc2ccccc2[C@H]1C(=O)[O-] ZINC000908919934 666221318 /nfs/dbraw/zinc/22/13/18/666221318.db2.gz FRGJGNDTGKJPLZ-HNNXBMFYSA-N -1 3 351.403 0.795 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCC(=O)C[C@@H]1C1CC1 ZINC000912177033 666394373 /nfs/dbraw/zinc/39/43/73/666394373.db2.gz KKHLAELWSUKNJP-LLVKDONJSA-N -1 3 370.203 0.682 10 0 FCAEHM Cc1cc(F)c(S(=O)(=O)[N-]C[C@]2(CO)COCCN2C)cc1F ZINC000921339421 666436822 /nfs/dbraw/zinc/43/68/22/666436822.db2.gz DJVHDZKODRSUFA-AWEZNQCLSA-N -1 3 350.387 0.245 10 0 FCAEHM CN1CCOC[C@]1(CO)C[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000921339685 666437101 /nfs/dbraw/zinc/43/71/01/666437101.db2.gz JPFVKZDKPCAGCX-CYBMUJFWSA-N -1 3 369.270 0.965 10 0 FCAEHM CC[C@H](CN1CCOCC1)[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000921435488 666451800 /nfs/dbraw/zinc/45/18/00/666451800.db2.gz BQFJBIDUZGSMOL-LLVKDONJSA-N -1 3 350.872 0.771 10 0 FCAEHM CN(C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])C1CS(=O)(=O)C1 ZINC000913139885 666500799 /nfs/dbraw/zinc/50/07/99/666500799.db2.gz SSMVPNBZFZIMDJ-CYBMUJFWSA-N -1 3 352.412 0.252 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCN(C)[C@@H](CO)C2)ccc1F ZINC000913553828 666540473 /nfs/dbraw/zinc/54/04/73/666540473.db2.gz RPXDHMWVPKIIMC-CYBMUJFWSA-N -1 3 373.450 0.261 10 0 FCAEHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCc2ccnn2C)ccc1F ZINC000056867594 666552766 /nfs/dbraw/zinc/55/27/66/666552766.db2.gz YFZWGJOOVNSBSV-UHFFFAOYSA-N -1 3 352.391 0.954 10 0 FCAEHM COC(=O)[C@@H](CC(F)F)[N-]S(=O)(=O)c1cnn2c1OCC(C)(C)C2 ZINC000914306028 666737933 /nfs/dbraw/zinc/73/79/33/666737933.db2.gz WXAGUAXIDKDDDR-MRVPVSSYSA-N -1 3 367.374 0.777 10 0 FCAEHM O=C([C@H](Cc1ccccc1)[N-]S(=O)(=O)CC1(F)CC1)N1CCOCC1 ZINC000914375923 666747956 /nfs/dbraw/zinc/74/79/56/666747956.db2.gz OYPJYOJPUOGKMG-HNNXBMFYSA-N -1 3 370.446 0.878 10 0 FCAEHM CCN1CCN(CC[N-]S(=O)(=O)c2occc2Br)CC1 ZINC000914406947 666752882 /nfs/dbraw/zinc/75/28/82/666752882.db2.gz WIDWOODHQQDOEG-UHFFFAOYSA-N -1 3 366.281 0.958 10 0 FCAEHM NS(=O)(=O)c1ccc(CNC(=O)c2nnc3ccccc3c2[O-])cc1 ZINC000732258417 666863812 /nfs/dbraw/zinc/86/38/12/666863812.db2.gz NTNHAFADPYKGHK-UHFFFAOYSA-N -1 3 358.379 0.913 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@H](CO)c2cccnc2)c(Br)n1 ZINC000917484514 667075755 /nfs/dbraw/zinc/07/57/55/667075755.db2.gz MFMHIWHCEKMVPG-SECBINFHSA-N -1 3 361.221 0.590 10 0 FCAEHM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-][C@H]1CCCCC1(OC)OC ZINC000918055775 667098612 /nfs/dbraw/zinc/09/86/12/667098612.db2.gz MDUVRXUYJIISPA-OLZOCXBDSA-N -1 3 364.464 0.780 10 0 FCAEHM C[C@H](CC[N-]S(=O)(=O)c1cnn(C)c1Br)[S@](C)=O ZINC000866973342 667099273 /nfs/dbraw/zinc/09/92/73/667099273.db2.gz CTGLQYXSNMPGLS-GJEGPGMTSA-N -1 3 358.283 0.618 10 0 FCAEHM C[S@@](=O)(=NS(=O)(=O)[N-]C1CC(N2CCOCC2)C1)c1ccccc1 ZINC000918277187 667108681 /nfs/dbraw/zinc/10/86/81/667108681.db2.gz RYJIUMGJPPRPKD-BLOHKPANSA-N -1 3 373.500 0.841 10 0 FCAEHM O=S(=O)([N-]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1cccc(Br)n1 ZINC000921614934 667144558 /nfs/dbraw/zinc/14/45/58/667144558.db2.gz QWRRXUGUMAZVIT-UTLUCORTSA-N -1 3 363.233 0.926 10 0 FCAEHM CS(=O)(=O)CCS(=O)(=O)[N-]CC(=O)c1cc2c(s1)CCCC2 ZINC000921678660 667230181 /nfs/dbraw/zinc/23/01/81/667230181.db2.gz JQCNGIAZGQISJS-UHFFFAOYSA-N -1 3 365.498 0.774 10 0 FCAEHM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000920926386 667258714 /nfs/dbraw/zinc/25/87/14/667258714.db2.gz YOFQKCAMGQGKBW-SEJYDQARSA-N -1 3 353.388 0.505 10 0 FCAEHM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000920926387 667258812 /nfs/dbraw/zinc/25/88/12/667258812.db2.gz YOFQKCAMGQGKBW-SMPFOWEGSA-N -1 3 353.388 0.505 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-]CCOC2CCOCC2)c1Br ZINC000921878534 667529968 /nfs/dbraw/zinc/52/99/68/667529968.db2.gz GDBSATLRDVJAPX-UHFFFAOYSA-N -1 3 368.253 0.657 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)OC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000922525089 667662181 /nfs/dbraw/zinc/66/21/81/667662181.db2.gz LHZYSBVNTAGBMW-ZJUUUORDSA-N -1 3 363.354 0.595 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)OC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000922525075 667662209 /nfs/dbraw/zinc/66/22/09/667662209.db2.gz LHZYSBVNTAGBMW-NXEZZACHSA-N -1 3 363.354 0.595 10 0 FCAEHM NC(=O)CO[N-]C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 ZINC000756493457 667676540 /nfs/dbraw/zinc/67/65/40/667676540.db2.gz FKTMCLYVUKGLMU-LLVKDONJSA-N -1 3 357.388 0.178 10 0 FCAEHM CC[C@@H]([N-]S(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1)C(=O)OC ZINC000761297648 667885807 /nfs/dbraw/zinc/88/58/07/667885807.db2.gz FACWKOGWZBUFJJ-CQSZACIVSA-N -1 3 370.427 0.878 10 0 FCAEHM Cc1cc(=O)[n-]c(CN2CCN(S(=O)(=O)Cc3ccon3)CC2)n1 ZINC000761887943 667896860 /nfs/dbraw/zinc/89/68/60/667896860.db2.gz SFMVRGINEDNDIX-UHFFFAOYSA-N -1 3 353.404 0.126 10 0 FCAEHM COC(=O)[C@@H](F)CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000838067701 667917425 /nfs/dbraw/zinc/91/74/25/667917425.db2.gz PNJPJADZSRCEKE-NSHDSACASA-N -1 3 364.370 0.753 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)OCC(=O)C1CCC(F)(F)CC1 ZINC000763222697 667946367 /nfs/dbraw/zinc/94/63/67/667946367.db2.gz XTQTYQOFFPVSPS-UHFFFAOYSA-N -1 3 371.402 0.880 10 0 FCAEHM COc1c(F)cc(CC(=O)[N-]OCC(F)(F)F)cc1S(N)(=O)=O ZINC000766771179 668035600 /nfs/dbraw/zinc/03/56/00/668035600.db2.gz ITYYRXGTMSHXBX-UHFFFAOYSA-N -1 3 360.285 0.634 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)O[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000767375654 668050924 /nfs/dbraw/zinc/05/09/24/668050924.db2.gz SSQHRXGQDMKIQN-JTQLQIEISA-N -1 3 363.436 0.927 10 0 FCAEHM C[C@@H]1OCC[C@@H]1S(=O)(=O)[N-]N1C(=O)N[C@@](C)(c2ccccc2)C1=O ZINC000767542604 668055520 /nfs/dbraw/zinc/05/55/20/668055520.db2.gz UKEQEDOXVCVIDJ-WBIUFABUSA-N -1 3 353.400 0.465 10 0 FCAEHM NS(=O)(=O)CCCOC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000744720230 668063789 /nfs/dbraw/zinc/06/37/89/668063789.db2.gz KCKVCSCOMBOGGP-LBPRGKRZSA-N -1 3 356.400 0.219 10 0 FCAEHM O=C(OC[C@H]1CCS(=O)(=O)C1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000788913571 668843867 /nfs/dbraw/zinc/84/38/67/668843867.db2.gz JNKGZUXCPNNEKJ-TZMCWYRMSA-N -1 3 367.423 0.975 10 0 FCAEHM O=C(NCCS(=O)(=O)N1CCOCC1)c1cc([O-])c2ccccc2c1 ZINC000792113844 668900107 /nfs/dbraw/zinc/90/01/07/668900107.db2.gz IGTTXAIYBAUXDD-UHFFFAOYSA-N -1 3 364.423 0.937 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)OCc2cnc(OC)nc2C)c(C)o1 ZINC000798633031 669253571 /nfs/dbraw/zinc/25/35/71/669253571.db2.gz TVYQPQDJZZCDPB-UHFFFAOYSA-N -1 3 355.372 0.960 10 0 FCAEHM O=C(NN1CC(=O)[N-]C1=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000822332073 669257903 /nfs/dbraw/zinc/25/79/03/669257903.db2.gz HQFACMFLNSPDNV-KOLCDFICSA-N -1 3 369.175 0.505 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-]C[C@@H](O)c2ccccn2)c1Br ZINC000867055584 669645653 /nfs/dbraw/zinc/64/56/53/669645653.db2.gz JJLLXINLFYAEQT-SECBINFHSA-N -1 3 361.221 0.590 10 0 FCAEHM CN1C[C@H](NC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)CCC1=O ZINC000811883492 669777538 /nfs/dbraw/zinc/77/75/38/669777538.db2.gz SWIJMUNWLQBWMA-WDEREUQCSA-N -1 3 364.368 0.707 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](C1CC1)[C@]1(CO)CCCO1 ZINC000815108610 669900059 /nfs/dbraw/zinc/90/00/59/669900059.db2.gz KDSWGLLXCAWSQB-GXTWGEPZSA-N -1 3 363.867 0.980 10 0 FCAEHM CCN1CCN([C@H](C)C[N-]S(=O)(=O)c2occc2C(=O)OC)CC1 ZINC000867146205 670017954 /nfs/dbraw/zinc/01/79/54/670017954.db2.gz CJESIZJKZDXENX-GFCCVEGCSA-N -1 3 359.448 0.371 10 0 FCAEHM C[C@@H]1OCC[C@]1(O)C[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867207882 670074699 /nfs/dbraw/zinc/07/46/99/670074699.db2.gz WTRJZHZRMKGBBT-XVKPBYJWSA-N -1 3 354.226 0.001 10 0 FCAEHM C[C@@H]1OCC[C@@]1(O)C[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867207879 670074854 /nfs/dbraw/zinc/07/48/54/670074854.db2.gz WTRJZHZRMKGBBT-OIBJUYFYSA-N -1 3 354.226 0.001 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N(C[C@H]2CCC(=O)N2)C(C)C)ccc1F ZINC000840561489 670511127 /nfs/dbraw/zinc/51/11/27/670511127.db2.gz XFXWUUOFEOJFRP-GFCCVEGCSA-N -1 3 371.434 0.863 10 0 FCAEHM COCC[C@H]([N-]S(=O)(=O)c1cn(C)nc1Br)C(=O)OC ZINC000867285288 670634367 /nfs/dbraw/zinc/63/43/67/670634367.db2.gz GCZDMQKJQXHJNQ-ZETCQYMHSA-N -1 3 370.225 0.039 10 0 FCAEHM O=C1C[C@@H](S(=O)(=O)[N-]Cc2cc(Br)no2)CN1C1CC1 ZINC000867323283 670782332 /nfs/dbraw/zinc/78/23/32/670782332.db2.gz NCMKCMOAUNTHTH-SECBINFHSA-N -1 3 364.221 0.620 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-]Cc2cc(Br)no2)CC1 ZINC000867323462 670783150 /nfs/dbraw/zinc/78/31/50/670783150.db2.gz PKKKEQLEKSVHJA-UHFFFAOYSA-N -1 3 353.194 0.810 10 0 FCAEHM CC1(C(N)=O)CN(C(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)C1 ZINC000843941172 670872009 /nfs/dbraw/zinc/87/20/09/670872009.db2.gz FIBIJPKWKKNPCA-UHFFFAOYSA-N -1 3 373.381 0.353 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCC(C)(C)[C@]2(O)CCOC2)ccc1F ZINC000844043367 670887259 /nfs/dbraw/zinc/88/72/59/670887259.db2.gz ATWANKAVINXTIM-INIZCTEOSA-N -1 3 374.434 0.641 10 0 FCAEHM CC(C)OC(=O)[C@H](C)[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867363466 670933663 /nfs/dbraw/zinc/93/36/63/670933663.db2.gz RAJUCSSOZQNLLO-ZETCQYMHSA-N -1 3 354.226 0.801 10 0 FCAEHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](CCF)C(=O)OC)c1 ZINC000845975159 671059621 /nfs/dbraw/zinc/05/96/21/671059621.db2.gz GSRYHQOCSXGDBU-JTQLQIEISA-N -1 3 351.327 0.792 10 0 FCAEHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]CC[C@]2(O)CCOC2)c1F ZINC000845985908 671061631 /nfs/dbraw/zinc/06/16/31/671061631.db2.gz BPITVJRJBSSNLF-AWEZNQCLSA-N -1 3 365.354 0.571 10 0 FCAEHM CS(C)(=O)=NC(=O)C[N-]S(=O)(=O)CCC1Cc2ccccc2C1 ZINC000867426530 671116385 /nfs/dbraw/zinc/11/63/85/671116385.db2.gz CQQKIILTBBJDQS-UHFFFAOYSA-N -1 3 358.485 0.965 10 0 FCAEHM COC[C@@](C)(O)CC[N-]S(=O)(=O)c1cc(C(=O)OC)cc(C)c1F ZINC000848458226 671277475 /nfs/dbraw/zinc/27/74/75/671277475.db2.gz POAGGXNNLMOUNN-HNNXBMFYSA-N -1 3 363.407 0.987 10 0 FCAEHM COC(=O)c1csc(S(=O)(=O)[N-]C[C@@H]2CN(C3CC3)C(=O)O2)c1 ZINC000848512850 671282858 /nfs/dbraw/zinc/28/28/58/671282858.db2.gz HKABWRWTRLOXBO-SNVBAGLBSA-N -1 3 360.413 0.796 10 0 FCAEHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@H](OC)[C@@H]2CCOC2)c1 ZINC000849415199 671340167 /nfs/dbraw/zinc/34/01/67/671340167.db2.gz YOMMSQDMEBGNOY-YPMHNXCESA-N -1 3 361.391 0.942 10 0 FCAEHM O=C(COC(=O)CN1CCN(C2CC2)C1=O)[N-]C(=O)c1cccs1 ZINC000850187642 671375585 /nfs/dbraw/zinc/37/55/85/671375585.db2.gz XDPLLROPLLLSMP-UHFFFAOYSA-N -1 3 351.384 0.448 10 0 FCAEHM CC[C@H](C(=O)[N-]S(=O)(=O)c1ccc2c(c1)nnn2C)N(CC)CC ZINC000851174563 671431419 /nfs/dbraw/zinc/43/14/19/671431419.db2.gz GRSNNYFQGBINEB-CYBMUJFWSA-N -1 3 353.448 0.894 10 0 FCAEHM Cn1nnc2cc(S(=O)(=O)[N-]C(=O)C3CCN(C4CC4)CC3)ccc21 ZINC000851175552 671431664 /nfs/dbraw/zinc/43/16/64/671431664.db2.gz UAJSJGMHPJYUQN-UHFFFAOYSA-N -1 3 363.443 0.648 10 0 FCAEHM CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000854453319 671578936 /nfs/dbraw/zinc/57/89/36/671578936.db2.gz DJGGCLDHBQVMRM-JBLDHEPKSA-N -1 3 366.443 0.788 10 0 FCAEHM CC(C)(CO)O[N-]C(=O)Cc1cscc1C(=O)NOC(C)(C)CO ZINC000854755113 671600268 /nfs/dbraw/zinc/60/02/68/671600268.db2.gz UKHAUKGHRADTTD-UHFFFAOYSA-N -1 3 360.432 0.542 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](COC)C2CCOCC2)ccc1F ZINC000855289337 671635478 /nfs/dbraw/zinc/63/54/78/671635478.db2.gz LVALPLUUAPVVNH-CQSZACIVSA-N -1 3 374.434 0.905 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2C[C@H](C)n3ncnc32)ccc1F ZINC000855328143 671636664 /nfs/dbraw/zinc/63/66/64/671636664.db2.gz PPQCAJWTWJDCEI-KWQFWETISA-N -1 3 353.379 0.761 10 0 FCAEHM CN(OCC(F)(F)F)C(=O)CNC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000857428583 671728427 /nfs/dbraw/zinc/72/84/27/671728427.db2.gz WOXFVAQOOKQXAE-UHFFFAOYSA-N -1 3 363.292 0.191 10 0 FCAEHM COCCN(C)CC[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000859121056 671794592 /nfs/dbraw/zinc/79/45/92/671794592.db2.gz QTGHCQQRJGVQOR-UHFFFAOYSA-N -1 3 370.244 0.840 10 0 FCAEHM O=S(=O)([N-]CC[C@H]1CNCCS1(=O)=O)c1cc(F)ccc1Cl ZINC000903542309 675941497 /nfs/dbraw/zinc/94/14/97/675941497.db2.gz RUQWPXKUBKFLRO-JTQLQIEISA-N -1 3 370.855 0.534 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-]N2C(=O)N[C@@](C)(CC)C2=O)CCOCC1 ZINC000859133521 671795670 /nfs/dbraw/zinc/79/56/70/671795670.db2.gz CKARNEGZKYIWIX-ZDUSSCGKSA-N -1 3 363.436 0.127 10 0 FCAEHM CCn1ncc(C[N-]S(=O)(=O)c2ccc(CCNC(=O)OC)s2)n1 ZINC000859251947 671804657 /nfs/dbraw/zinc/80/46/57/671804657.db2.gz KKDDQHCNNKJEKH-UHFFFAOYSA-N -1 3 373.460 0.737 10 0 FCAEHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]C[C@@H](O)[C@H]1CCCO1 ZINC000859284414 671809028 /nfs/dbraw/zinc/80/90/28/671809028.db2.gz NMUPDGGIUZIAAD-RKDXNWHRSA-N -1 3 364.807 0.340 10 0 FCAEHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@H](O)[C@H]2CCCO2)c1 ZINC000859286937 671810196 /nfs/dbraw/zinc/81/01/96/671810196.db2.gz JRBGCPWRXSHFIK-QWHCGFSZSA-N -1 3 361.391 0.821 10 0 FCAEHM Cc1ncc(S(=O)(=O)[N-]C(c2ccnn2C)c2ccnn2C)s1 ZINC000859406732 671824059 /nfs/dbraw/zinc/82/40/59/671824059.db2.gz UIYICFGYMPVTHW-UHFFFAOYSA-N -1 3 352.445 0.986 10 0 FCAEHM CC(C)(C)OC(=O)N1CC[C@@H]([C@H](F)C(=O)[N-]c2nnc3[nH]cnn23)C1 ZINC000861763889 671992927 /nfs/dbraw/zinc/99/29/27/671992927.db2.gz CZFYBKYSBKWDQS-BDAKNGLRSA-N -1 3 353.358 0.986 10 0 FCAEHM O=C(N[C@H]1COCCC1=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000862933791 672088002 /nfs/dbraw/zinc/08/80/02/672088002.db2.gz LDCGREBGXJCSTI-JTQLQIEISA-N -1 3 374.365 0.493 10 0 FCAEHM CN1CCOC[C@@H]1CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000862973807 672092873 /nfs/dbraw/zinc/09/28/73/672092873.db2.gz WBNPWEGHTDTRIN-ZDUSSCGKSA-N -1 3 371.434 0.327 10 0 FCAEHM CC(C)(C(=O)[O-])N1CCN(C(=O)/C=C\c2ccc(S(C)(=O)=O)o2)CC1 ZINC000864158549 672176818 /nfs/dbraw/zinc/17/68/18/672176818.db2.gz BWMYLAZXYFCNEE-XQRVVYSFSA-N -1 3 370.427 0.704 10 0 FCAEHM CC(=O)N1CCC([N-]S(=O)(=O)N=[S@](C)(=O)c2ccccc2)CC1 ZINC000866423778 672272717 /nfs/dbraw/zinc/27/27/17/672272717.db2.gz CSYBQEQGZGQPDU-JOCHJYFZSA-N -1 3 359.473 0.989 10 0 FCAEHM CCS(=O)(CC)=NS(=O)(=O)[N-]C1CCN(C(=O)C(C)C)CC1 ZINC000866468745 672275879 /nfs/dbraw/zinc/27/58/79/672275879.db2.gz KLDVGPVWHCTOBI-UHFFFAOYSA-N -1 3 353.510 0.976 10 0 FCAEHM C[C@@H](C[N-]S(=O)(=O)c1cn(C)nc1Br)N1CCCC1 ZINC000866490097 672277760 /nfs/dbraw/zinc/27/77/60/672277760.db2.gz HAHRRCSNOLBUDR-VIFPVBQESA-N -1 3 351.270 0.945 10 0 FCAEHM CC[S@@](C)(=O)=NS(=O)(=O)[N-]C1CCN(Cc2ccncc2)CC1 ZINC000866539164 672280773 /nfs/dbraw/zinc/28/07/73/672280773.db2.gz HRPFEWWHSXLZJZ-JOCHJYFZSA-N -1 3 360.505 0.998 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]C[C@@]2(N3CCOCC3)CCSC2)nn1 ZINC000866581041 672283251 /nfs/dbraw/zinc/28/32/51/672283251.db2.gz ZACOSDOIUBIUBZ-AWEZNQCLSA-N -1 3 358.489 0.271 10 0 FCAEHM CC(C)N1C[C@H]([N-]S(=O)(=O)c2cn(C)nc2Br)CC1=O ZINC000866701977 672289312 /nfs/dbraw/zinc/28/93/12/672289312.db2.gz YENXEOHMINDSKO-MRVPVSSYSA-N -1 3 365.253 0.470 10 0 FCAEHM CC(C)N1CC[C@@H]([N-]S(=O)(=O)c2cn(C)nc2Br)C1=O ZINC000866792289 672306509 /nfs/dbraw/zinc/30/65/09/672306509.db2.gz YFJBSRBWYIKRQZ-MRVPVSSYSA-N -1 3 365.253 0.470 10 0 FCAEHM COC(=O)[C@](C)([N-]S(=O)(=O)c1cn(C)nc1Br)C1CC1 ZINC000866813351 672310874 /nfs/dbraw/zinc/31/08/74/672310874.db2.gz VDAGZIQBACHIMJ-LLVKDONJSA-N -1 3 366.237 0.803 10 0 FCAEHM CC[C@@H](C[N-]S(=O)(=O)c1cnn(C)c1Br)C(=O)OC ZINC000867448537 672317023 /nfs/dbraw/zinc/31/70/23/672317023.db2.gz GQUWXUHOTXDGNE-ZETCQYMHSA-N -1 3 354.226 0.660 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1)C(=O)OCc1ccccc1 ZINC000867482765 672323247 /nfs/dbraw/zinc/32/32/47/672323247.db2.gz DYHSQFBUUUPJKF-DOMZBBRYSA-N -1 3 366.439 0.801 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1)C(=O)OCc1ccccc1 ZINC000867482766 672323299 /nfs/dbraw/zinc/32/32/99/672323299.db2.gz DYHSQFBUUUPJKF-IUODEOHRSA-N -1 3 366.439 0.801 10 0 FCAEHM CO[C@H](C[N-]S(=O)(=O)c1cn(C)nc1Br)[C@H]1CCOC1 ZINC000867496843 672326098 /nfs/dbraw/zinc/32/60/98/672326098.db2.gz IRWCZFNSWQPATH-DTWKUNHWSA-N -1 3 368.253 0.512 10 0 FCAEHM CON(C)C(=O)[C@@H](C)[N-]S(=O)(=O)Cc1ncsc1Br ZINC000867567660 672338893 /nfs/dbraw/zinc/33/88/93/672338893.db2.gz FIJXKZAJSNMOLJ-ZCFIWIBFSA-N -1 3 372.266 0.733 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)c1Br ZINC000867613011 672348123 /nfs/dbraw/zinc/34/81/23/672348123.db2.gz UHVFWUKTAJGDDH-MZFCOBPBSA-N -1 3 362.249 0.884 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@@H]2CCCN(CCF)C2)c(Br)n1 ZINC000867714281 672358097 /nfs/dbraw/zinc/35/80/97/672358097.db2.gz ZAJYKSXNDIQJOK-SECBINFHSA-N -1 3 369.260 0.895 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCC[C@@H]1CCSC1 ZINC000869611661 672442522 /nfs/dbraw/zinc/44/25/22/672442522.db2.gz DBZSUJNXZMAHJC-MRVPVSSYSA-N -1 3 362.249 0.971 10 0 FCAEHM CCS(=O)(=O)N1CCN(Cc2nnc(-c3ccccc3[O-])o2)CC1 ZINC000878018705 673037091 /nfs/dbraw/zinc/03/70/91/673037091.db2.gz XPQOVESOWWROOT-UHFFFAOYSA-N -1 3 352.416 0.910 10 0 FCAEHM COC(OC)[C@@H](C)NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000923673692 673061880 /nfs/dbraw/zinc/06/18/80/673061880.db2.gz MGSWREIYUNHNOO-GFCCVEGCSA-N -1 3 351.403 0.867 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCC[C@H](C)[S@](C)=O)ccc1F ZINC000134847564 673456679 /nfs/dbraw/zinc/45/66/79/673456679.db2.gz ZKDQQVVUBZRZRA-JLTPVHFHSA-N -1 3 350.437 0.621 10 0 FCAEHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@@H]1CNOC1 ZINC000923721742 673738218 /nfs/dbraw/zinc/73/82/18/673738218.db2.gz IAHRSHIGAHHLPK-SSDOTTSWSA-N -1 3 355.185 0.779 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCC[C@@H]2CC(=O)N(C)C2)ccc1F ZINC000927747766 673879141 /nfs/dbraw/zinc/87/91/41/673879141.db2.gz KFQSHGQJQNLIFD-SNVBAGLBSA-N -1 3 357.407 0.332 10 0 FCAEHM CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1nnc2ccccc2c1[O-] ZINC000800668929 675689773 /nfs/dbraw/zinc/68/97/73/675689773.db2.gz YPTDREPRECEFTF-PWSUYJOCSA-N -1 3 364.427 0.783 10 0 FCAEHM CS(=O)(=O)N1CC[C@@H](COC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000801257765 675765276 /nfs/dbraw/zinc/76/52/76/675765276.db2.gz VMIHDUVMRYHDEL-SECBINFHSA-N -1 3 352.368 0.009 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H]3COC[C@H](C2)O3)ccc1F ZINC000801540631 675790379 /nfs/dbraw/zinc/79/03/79/675790379.db2.gz USOWALIBRQTFPE-BETUJISGSA-N -1 3 372.418 0.752 10 0 FCAEHM C[C@@H](CC(N)=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC001625854989 1168374448 /nfs/dbraw/zinc/37/44/48/1168374448.db2.gz DQDZDFNVWPFYSL-QMMMGPOBSA-N -1 3 365.814 0.385 10 0 FCAEHM O=C(c1ccc(CN2CCOCC2)cn1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898222468 1192864452 /nfs/dbraw/zinc/86/44/52/1192864452.db2.gz WUDPHFCKTCZWNC-CQSZACIVSA-N -1 3 357.414 0.972 10 0 FCAEHM CCOCCC(=O)NC[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1C ZINC001719702753 1179536111 /nfs/dbraw/zinc/53/61/11/1179536111.db2.gz IXRTYYZEKZCCAU-DGCLKSJQSA-N -1 3 350.419 0.742 10 0 FCAEHM CO[C@@H](C(=O)NC[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1C)C(C)C ZINC001719733098 1179832089 /nfs/dbraw/zinc/83/20/89/1179832089.db2.gz ALKXAKGINQRATK-UXIGCNINSA-N -1 3 364.446 0.986 10 0 FCAEHM COc1cccc([C@@H]2C[C@H]2C(=O)N(C)CCNCc2nc(=O)n(C)[n-]2)c1 ZINC001267439532 1180560827 /nfs/dbraw/zinc/56/08/27/1180560827.db2.gz MAJFRTRGHDARQX-LSDHHAIUSA-N -1 3 359.430 0.469 10 0 FCAEHM C[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn[n-]n1)C2)N(C)CC(F)(F)F ZINC001719842127 1186263310 /nfs/dbraw/zinc/26/33/10/1186263310.db2.gz MJHLCCOTHXKXEA-WYFGTUCQSA-N -1 3 374.367 0.549 10 0 FCAEHM CN(C)c1nc(C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)cc(=O)[n-]1 ZINC000549637867 1186582795 /nfs/dbraw/zinc/58/27/95/1186582795.db2.gz DFYYYXXOODUXIB-CYBMUJFWSA-N -1 3 370.413 0.564 10 0 FCAEHM CN(C)c1nc(C(=O)Nc2cccc(CN3CCOCC3)n2)cc(=O)[n-]1 ZINC000549646721 1186589949 /nfs/dbraw/zinc/58/99/49/1186589949.db2.gz GMTGCCIUTSHPCO-UHFFFAOYSA-N -1 3 358.402 0.728 10 0 FCAEHM O=C(NCCN(C(=O)[C@]12C[C@H]1COC2)C1CC1)c1cccc2n[n-]nc21 ZINC001745513450 1186626251 /nfs/dbraw/zinc/62/62/51/1186626251.db2.gz DWRGNDNWWDSYHV-VOJFVSQTSA-N -1 3 355.398 0.715 10 0 FCAEHM O=C(c1cnc[n-]c1=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC000937302690 1187631729 /nfs/dbraw/zinc/63/17/29/1187631729.db2.gz WHDYDOBFOUBHLX-ZQDZILKHSA-N -1 3 365.393 0.806 10 0 FCAEHM COc1ccccc1[C@@H]1C[C@H]1C(=O)NC/C=C\CNCc1nc(=O)n(C)[n-]1 ZINC001268601383 1187732933 /nfs/dbraw/zinc/73/29/33/1187732933.db2.gz URNLJCGXDQBLBP-RWCKICOTSA-N -1 3 371.441 0.683 10 0 FCAEHM COCCO[C@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc[n-]c1=O)C2 ZINC001719907041 1191008472 /nfs/dbraw/zinc/00/84/72/1191008472.db2.gz GRRSZLBUCIMKCH-OXHZDVMGSA-N -1 3 364.402 0.095 10 0 FCAEHM COCC(=O)N[C@]12CCC[C@H]1CN(C(=O)CCc1c(C)nc[n-]c1=O)C2 ZINC001719938259 1191223166 /nfs/dbraw/zinc/22/31/66/1191223166.db2.gz LOUULXCHAXTIFP-UGSOOPFHSA-N -1 3 362.430 0.567 10 0 FCAEHM CN1CCN(c2cc(C(=O)N3CCSC[C@H]3c3nnn[n-]3)ccn2)CC1 ZINC000907473262 1195694676 /nfs/dbraw/zinc/69/46/76/1195694676.db2.gz DZHYMMHHHFPAJQ-ZDUSSCGKSA-N -1 3 374.474 0.277 10 0 FCAEHM CN1CCN(c2cc(C(=O)N3CCSC[C@H]3c3nn[n-]n3)ccn2)CC1 ZINC000907473262 1195694682 /nfs/dbraw/zinc/69/46/82/1195694682.db2.gz DZHYMMHHHFPAJQ-ZDUSSCGKSA-N -1 3 374.474 0.277 10 0 FCAEHM CCN1CCN(c2ccc(C(=O)N3CCC[C@H](O)[C@H]3C(=O)[O-])cc2)CC1 ZINC000911629918 1196305127 /nfs/dbraw/zinc/30/51/27/1196305127.db2.gz GWJJWJPEIWZWIW-IRXDYDNUSA-N -1 3 361.442 0.879 10 0 FCAEHM CN1CCN(c2cccc(C(=O)N3CC[C@@H](c4cc(=O)[nH][n-]4)C3)n2)CC1 ZINC000911854934 1196317432 /nfs/dbraw/zinc/31/74/32/1196317432.db2.gz OKSVIBUWXAHQKV-CYBMUJFWSA-N -1 3 356.430 0.892 10 0 FCAEHM Cc1cc(C)nc(-n2[n-]c(C(=O)N[C@]3(C)CN4CCC3CC4)cc2=O)n1 ZINC000912377903 1196343111 /nfs/dbraw/zinc/34/31/11/1196343111.db2.gz GPCZDGHHBGCYNF-GOSISDBHSA-N -1 3 356.430 0.787 10 0 FCAEHM CCN1CCN(c2ccc(C(=O)N3CCOC[C@H]3c3nnn[n-]3)cc2)CC1 ZINC000913495489 1196446801 /nfs/dbraw/zinc/44/68/01/1196446801.db2.gz YJLNAAUMCJFXAG-INIZCTEOSA-N -1 3 371.445 0.555 10 0 FCAEHM Cc1c(C(=O)NCC(=O)Nc2cccc3c(=O)[nH][n-]c(=O)c23)ccn1C ZINC000192684137 1199004024 /nfs/dbraw/zinc/00/40/24/1199004024.db2.gz VULMHHINPJPZPF-UHFFFAOYSA-N -1 3 355.354 0.232 10 0 FCAEHM COC(=O)[C@]12CN(C(=O)c3nnc4ccccc4c3[O-])C[C@H]1COCC2 ZINC000794244172 1201286916 /nfs/dbraw/zinc/28/69/16/1201286916.db2.gz LBPKELVPBQRZRO-BBATYDOGSA-N -1 3 357.366 0.987 10 0 FCAEHM Cn1ccn2c(CNC(=O)c3c[n-]c4ccccc4c3=O)nnc2c1=O ZINC001133045666 1202974383 /nfs/dbraw/zinc/97/43/83/1202974383.db2.gz ZEWPCZDKZCMRHN-UHFFFAOYSA-N -1 3 350.338 0.200 10 0 FCAEHM COC(=O)[C@](C)(Cn1cccn1)NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC001134899914 1203031744 /nfs/dbraw/zinc/03/17/44/1203031744.db2.gz XGHGLMHCSVPTFN-KRWDZBQOSA-N -1 3 361.402 0.676 10 0 FCAEHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)[C@H]1C[C@H](O)CN1c1ccncn1 ZINC001136497476 1203216412 /nfs/dbraw/zinc/21/64/12/1203216412.db2.gz LETYPLIQXYQTIK-QWHCGFSZSA-N -1 3 352.358 0.235 10 0 FCAEHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@H](O)CN1c1ccncn1 ZINC001136497476 1203216416 /nfs/dbraw/zinc/21/64/16/1203216416.db2.gz LETYPLIQXYQTIK-QWHCGFSZSA-N -1 3 352.358 0.235 10 0 FCAEHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)[C@@H]1C[C@H](O)CN1c1ccncn1 ZINC001136497477 1203216567 /nfs/dbraw/zinc/21/65/67/1203216567.db2.gz LETYPLIQXYQTIK-STQMWFEESA-N -1 3 352.358 0.235 10 0 FCAEHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@H](O)CN1c1ccncn1 ZINC001136497477 1203216573 /nfs/dbraw/zinc/21/65/73/1203216573.db2.gz LETYPLIQXYQTIK-STQMWFEESA-N -1 3 352.358 0.235 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)[C@@H]2CCN2Cc2ccc(OC)cc2)n[n-]1 ZINC001136932257 1203302257 /nfs/dbraw/zinc/30/22/57/1203302257.db2.gz MDVNPKHLLZVTDT-ZDUSSCGKSA-N -1 3 359.386 0.742 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@]1(Cc2ccccc2)CCN(C)C1=O ZINC001144232732 1204438364 /nfs/dbraw/zinc/43/83/64/1204438364.db2.gz HKTFCMWSDCVINK-DNVCBOLYSA-N -1 3 356.426 0.706 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 ZINC001144232949 1204439141 /nfs/dbraw/zinc/43/91/41/1204439141.db2.gz PGTZUQWSFARJQA-ZYHUDNBSSA-N -1 3 364.352 0.946 10 0 FCAEHM Cn1cc(C(=O)COC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])nn1 ZINC000845093985 1204470972 /nfs/dbraw/zinc/47/09/72/1204470972.db2.gz JDFKPEOCAYTXGU-CYBMUJFWSA-N -1 3 358.354 0.551 10 0 FCAEHM CC(=O)N1CC[C@H](CNC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])C1 ZINC000846172126 1204594765 /nfs/dbraw/zinc/59/47/65/1204594765.db2.gz WTJNAJYRVUFDNX-GFCCVEGCSA-N -1 3 374.372 0.472 10 0 FCAEHM CC(=O)N1CC[C@H](CNC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)C1 ZINC000846172126 1204594766 /nfs/dbraw/zinc/59/47/66/1204594766.db2.gz WTJNAJYRVUFDNX-GFCCVEGCSA-N -1 3 374.372 0.472 10 0 FCAEHM Nc1nn2c([n-]1)nc(CN1c3cc(F)ccc3OC[C@H]1CCO)cc2=O ZINC001171677186 1206250778 /nfs/dbraw/zinc/25/07/78/1206250778.db2.gz HAFAGUJCXHTJID-LLVKDONJSA-N -1 3 360.349 0.289 10 0 FCAEHM CN1CCC[C@H]1c1cc(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)[nH]n1 ZINC001175214526 1206301703 /nfs/dbraw/zinc/30/17/03/1206301703.db2.gz PPEIPHZISDFGHJ-AWEZNQCLSA-N -1 3 358.402 0.675 10 0 FCAEHM COc1ccccc1[C@H]1CN(Cc2cc(=O)n3nc(N)[n-]c3n2)CCO1 ZINC001175426190 1206304808 /nfs/dbraw/zinc/30/48/08/1206304808.db2.gz GQYOPURGKSLKGD-CQSZACIVSA-N -1 3 356.386 0.582 10 0 FCAEHM CN(C)CCn1c2cc(C(=O)N3CC[C@@H](c4nnn[n-]4)C3)ccc2[nH]c1=O ZINC001175563817 1206306160 /nfs/dbraw/zinc/30/61/60/1206306160.db2.gz WMKORBPCLRGUFA-GFCCVEGCSA-N -1 3 370.417 0.446 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)[C@@H]1CNC(=O)c2ccccc21 ZINC001180027152 1206388072 /nfs/dbraw/zinc/38/80/72/1206388072.db2.gz FLLUSKXNPBMYAE-BXUZGUMPSA-N -1 3 353.382 0.404 10 0 FCAEHM CCn1c(C)cc2n[n-]c(NC(=O)c3ccnc4c3nnn4C)c2c1=O ZINC001183781432 1206460594 /nfs/dbraw/zinc/46/05/94/1206460594.db2.gz SKRSVLGFVCICHV-UHFFFAOYSA-N -1 3 352.358 0.982 10 0 FCAEHM CN(CCCN(C)C(=O)[C@@H]1C[C@H]1C1CCOCC1)Cc1nc(=O)n(C)[n-]1 ZINC001273534500 1206515511 /nfs/dbraw/zinc/51/55/11/1206515511.db2.gz ARUVNPCNGOMTAZ-LSDHHAIUSA-N -1 3 365.478 0.451 10 0 FCAEHM COCCC1(NC(=O)c2cn[n-]n2)CCN(C(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC001488876414 1208570529 /nfs/dbraw/zinc/57/05/29/1208570529.db2.gz HYCJYQCDBCBEGX-UONOGXRCSA-N -1 3 361.446 0.978 10 0 FCAEHM COCC1(C(=O)N2C[C@@H]3CCN(C(=O)c4cnc[n-]c4=O)[C@@H]3C2)CCC1 ZINC001489252114 1208693449 /nfs/dbraw/zinc/69/34/49/1208693449.db2.gz ZGGFBRWZYUNZEX-GXTWGEPZSA-N -1 3 360.414 0.672 10 0 FCAEHM CO[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1NC(=O)C(C)(C)C(C)C ZINC001489523710 1208878760 /nfs/dbraw/zinc/87/87/60/1208878760.db2.gz KKNSYJPHWSXVHL-CHWSQXEVSA-N -1 3 350.419 0.820 10 0 FCAEHM O=C(CCCF)N[C@@H]1CN(C(=O)c2cc(=O)c3ccccc3[n-]2)C[C@@H]1O ZINC001489612823 1208978722 /nfs/dbraw/zinc/97/87/22/1208978722.db2.gz VCFKJCCXXQOGCG-ZBFHGGJFSA-N -1 3 361.373 0.579 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](NC(=O)[C@@H](C)C(C)(F)F)[C@@H](O)C1 ZINC001489628939 1209061892 /nfs/dbraw/zinc/06/18/92/1209061892.db2.gz WSCXJIWXUDCBBV-QNSHHTMESA-N -1 3 358.345 0.083 10 0 FCAEHM CC[C@H](OC)C(=O)N[C@H]1CCN(C(=O)CCc2c(C)nc[n-]c2=O)[C@@H]1C ZINC001490080223 1209245468 /nfs/dbraw/zinc/24/54/68/1209245468.db2.gz XPRDAMUMBNAWRX-SNPRPXQTSA-N -1 3 364.446 0.954 10 0 FCAEHM COCC(=O)NC[C@@H]1CN(C(=O)c2nnc3ccccc3c2[O-])C[C@H]1C ZINC001490252927 1209286955 /nfs/dbraw/zinc/28/69/55/1209286955.db2.gz KQZSIAUFMRUKKL-VXGBXAGGSA-N -1 3 358.398 0.806 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1CNC(=O)CCc1nnc[nH]1 ZINC001490278576 1209294106 /nfs/dbraw/zinc/29/41/06/1209294106.db2.gz RLZNMGIHRJQTGC-CHWSQXEVSA-N -1 3 357.414 0.967 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CCNC(=O)c1cc[nH]c(=O)c1 ZINC001490408567 1209345230 /nfs/dbraw/zinc/34/52/30/1209345230.db2.gz KYYMNKILYMUSTI-DGCLKSJQSA-N -1 3 371.397 0.811 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])N1CC[C@H](O)C(F)(F)C1 ZINC000855443075 1209668877 /nfs/dbraw/zinc/66/88/77/1209668877.db2.gz NJFQFKSTUQUJEF-LBPRGKRZSA-N -1 3 369.299 0.716 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c([O-])cc1=O)N1CC[C@H](O)C(F)(F)C1 ZINC000855443075 1209668880 /nfs/dbraw/zinc/66/88/80/1209668880.db2.gz NJFQFKSTUQUJEF-LBPRGKRZSA-N -1 3 369.299 0.716 10 0 FCAEHM C[C@]12COC[C@H]1CN(C(=O)c1nn(-c3ccc(F)cc3)c(=O)cc1[O-])C2 ZINC000855835549 1209682230 /nfs/dbraw/zinc/68/22/30/1209682230.db2.gz LTLJZSLIUNWMNS-ZMZPIMSZSA-N -1 3 359.357 0.982 10 0 FCAEHM C[C@]12COC[C@H]1CN(C(=O)c1nn(-c3ccc(F)cc3)c([O-])cc1=O)C2 ZINC000855835549 1209682235 /nfs/dbraw/zinc/68/22/35/1209682235.db2.gz LTLJZSLIUNWMNS-ZMZPIMSZSA-N -1 3 359.357 0.982 10 0 FCAEHM CCOC(=O)CN(Cc1cc(=O)n2nc(N)[n-]c2n1)c1ccc(C)cc1 ZINC000856740471 1209727628 /nfs/dbraw/zinc/72/76/28/1209727628.db2.gz GGKDJWASYGXWHK-UHFFFAOYSA-N -1 3 356.386 0.878 10 0 FCAEHM CCOC(=O)C[C@H](O)COC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000859498293 1209823282 /nfs/dbraw/zinc/82/32/82/1209823282.db2.gz ICEVJDCREYUAOS-JSGCOSHPSA-N -1 3 365.382 0.854 10 0 FCAEHM COc1ccc(CN2CC[C@@H]2CNC(=O)CCn2cc[n-]c(=O)c2=O)cc1 ZINC000862756349 1209923221 /nfs/dbraw/zinc/92/32/21/1209923221.db2.gz QQOBGOWRCRPHFS-OAHLLOKOSA-N -1 3 372.425 0.326 10 0 FCAEHM O=C(CN1CCCCC(=O)C1=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000866597086 1209999799 /nfs/dbraw/zinc/99/97/99/1209999799.db2.gz XYYKWYFUUFTRKK-UHFFFAOYSA-N -1 3 373.409 0.258 10 0 FCAEHM COCC1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cnc[n-]c2=O)C3)CCC1 ZINC001490822969 1211408187 /nfs/dbraw/zinc/40/81/87/1211408187.db2.gz HEFZNSFQHATTGX-BNOWGMLFSA-N -1 3 360.414 0.861 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)/C=C\COC3CCOCC3)CC2)n1 ZINC000924292190 1211466058 /nfs/dbraw/zinc/46/60/58/1211466058.db2.gz JZRQMKVKTPIAEQ-IHWYPQMZSA-N -1 3 362.430 0.891 10 0 FCAEHM C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000930491169 1211709451 /nfs/dbraw/zinc/70/94/51/1211709451.db2.gz NYIXIMOZENOCKD-HWPZZCPQSA-N -1 3 367.396 0.928 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCN(C(=O)[C@@H]2CCCn3ncnc32)CC1 ZINC001137345459 1219050628 /nfs/dbraw/zinc/05/06/28/1219050628.db2.gz JUTIUBNBGHJCLN-CQSZACIVSA-N -1 3 355.398 0.846 10 0 FCAEHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCC(=O)N2CCCO2)c1 ZINC001118937398 1221846847 /nfs/dbraw/zinc/84/68/47/1221846847.db2.gz ZZFGBDICNRMIDY-UHFFFAOYSA-N -1 3 374.353 0.835 10 0 FCAEHM CNC(=O)[C@@H](NC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])C(C)C ZINC001139390321 1222548834 /nfs/dbraw/zinc/54/88/34/1222548834.db2.gz HEKQGXGIVZXASZ-AWEZNQCLSA-N -1 3 362.361 0.374 10 0 FCAEHM CNC(=O)[C@@H](NC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O)C(C)C ZINC001139390321 1222548839 /nfs/dbraw/zinc/54/88/39/1222548839.db2.gz HEKQGXGIVZXASZ-AWEZNQCLSA-N -1 3 362.361 0.374 10 0 FCAEHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)C1CN([C@H]2CCOC2)C1 ZINC001140272785 1222582153 /nfs/dbraw/zinc/58/21/53/1222582153.db2.gz SMCRTSKTFGEXEE-DYEKYZERSA-N -1 3 362.430 0.587 10 0 FCAEHM O=C(N[C@@H]1CCn2ccnc21)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001141290746 1222646174 /nfs/dbraw/zinc/64/61/74/1222646174.db2.gz NQOCRBWSAOVUGL-GFCCVEGCSA-N -1 3 355.329 0.945 10 0 FCAEHM O=C(N[C@@H]1CCn2ccnc21)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001141290746 1222646178 /nfs/dbraw/zinc/64/61/78/1222646178.db2.gz NQOCRBWSAOVUGL-GFCCVEGCSA-N -1 3 355.329 0.945 10 0 FCAEHM COc1ccc(Cn2nnc(C(=O)NCCCc3c[n-][nH]c3=O)c2C)cc1 ZINC001149262797 1222881528 /nfs/dbraw/zinc/88/15/28/1222881528.db2.gz OYEMZPSQIDSQDS-CQSZACIVSA-N -1 3 370.413 0.885 10 0 FCAEHM C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCCCc2c[n-][nH]c2=O)C1=O ZINC001149262587 1222881568 /nfs/dbraw/zinc/88/15/68/1222881568.db2.gz MIPVBODUJSRPSB-SGTLLEGYSA-N -1 3 371.397 0.082 10 0 FCAEHM O=C([O-])[C@H]1CCCN(CC(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)C1 ZINC000911505045 1245501655 /nfs/dbraw/zinc/50/16/55/1245501655.db2.gz PFVCHDDNDXUIST-AWEZNQCLSA-N -1 3 361.446 0.732 10 0 FCAEHM CN(CCNC(=O)c1nn(-c2ccccc2F)cc1[O-])CCOCCO ZINC000922119334 1245659901 /nfs/dbraw/zinc/65/99/01/1245659901.db2.gz OELVRMFECRXWDN-UHFFFAOYSA-N -1 3 366.393 0.388 10 0 FCAEHM COCCN(CCF)c1nnc(-c2cnc[n-]c2=O)n1C[C@@H]1CCOC1 ZINC001516097640 1265536817 /nfs/dbraw/zinc/53/68/17/1265536817.db2.gz KDZGKZFQTGYXQU-LBPRGKRZSA-N -1 3 366.397 0.900 10 0 FCAEHM Cc1nc(C)c(CC(=O)N2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)c(=O)[n-]1 ZINC001328450810 1265552959 /nfs/dbraw/zinc/55/29/59/1265552959.db2.gz MJOJEEIQTXBGNH-LSDHHAIUSA-N -1 3 369.425 0.719 10 0 FCAEHM O=C(NCc1cc(=O)[n-]c(CNC(=O)[C@@H]2CCO[C@H]2C2CC2)n1)C(F)F ZINC001519541129 1265729534 /nfs/dbraw/zinc/72/95/34/1265729534.db2.gz IKYCFUQJOKJVRZ-MFKMUULPSA-N -1 3 370.356 0.495 10 0 FCAEHM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC001329563222 1265782097 /nfs/dbraw/zinc/78/20/97/1265782097.db2.gz PZDKIXPXQOVTHN-KBXCAEBGSA-N -1 3 367.446 0.023 10 0 FCAEHM Cn1ncc(Br)c1C(=O)N1CCC(Cc2nnn[n-]2)CC1 ZINC001520532001 1265930308 /nfs/dbraw/zinc/93/03/08/1265930308.db2.gz XVGKQEMEALPXRB-UHFFFAOYSA-N -1 3 354.212 0.791 10 0 FCAEHM Cn1ncc(Br)c1C(=O)N1CCC(Cc2nn[n-]n2)CC1 ZINC001520532001 1265930312 /nfs/dbraw/zinc/93/03/12/1265930312.db2.gz XVGKQEMEALPXRB-UHFFFAOYSA-N -1 3 354.212 0.791 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCC[C@H](NC(=O)[C@H]3CCCN(C4CC4)C3=O)C2)n1 ZINC001520594228 1265943742 /nfs/dbraw/zinc/94/37/42/1265943742.db2.gz LGZRCDYKKMKZEM-DZGCQCFKSA-N -1 3 373.457 0.977 10 0 FCAEHM COC[C@H](C)CC(=O)N1C[C@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@@]2(C)C1 ZINC001521679763 1266162855 /nfs/dbraw/zinc/16/28/55/1266162855.db2.gz BVTCQPMTPOVFQP-FHSNZYRGSA-N -1 3 362.430 0.775 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](CNC(=O)Cn2ccnc2)[C@H](C)C1 ZINC001521947562 1266250139 /nfs/dbraw/zinc/25/01/39/1266250139.db2.gz WZWYTQUHDPCVGA-DGCLKSJQSA-N -1 3 358.402 0.212 10 0 FCAEHM O=C(NCc1cnc2n1CCCC2)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001248598070 1259713795 /nfs/dbraw/zinc/71/37/95/1259713795.db2.gz CJGQDELSAZIRRS-UHFFFAOYSA-N -1 3 358.402 0.787 10 0 FCAEHM NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N3CCNC(=O)C3)cc2)c1 ZINC001251743204 1259758518 /nfs/dbraw/zinc/75/85/18/1259758518.db2.gz JDSYCNHTLKLGOF-UHFFFAOYSA-N -1 3 374.422 0.523 10 0 FCAEHM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)NCc1nc(=O)n(C)[n-]1 ZINC001265867075 1260418752 /nfs/dbraw/zinc/41/87/52/1260418752.db2.gz JDLLZOYFGGZNEO-ADEWGFFLSA-N -1 3 365.384 0.785 10 0 FCAEHM CO[C@@H]1CN(C(=O)CCCOC(C)C)C[C@H]1NC(=O)c1cnc[n-]c1=O ZINC001281843498 1261227536 /nfs/dbraw/zinc/22/75/36/1261227536.db2.gz XFIFXKACZRLEIB-ZIAGYGMSSA-N -1 3 366.418 0.343 10 0 FCAEHM CC[C@H](CC(C)C)C(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@@H]1O ZINC001281934953 1261295706 /nfs/dbraw/zinc/29/57/06/1261295706.db2.gz OOUBOCUCCKJPRB-MCIONIFRSA-N -1 3 364.446 0.864 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)C[C@@](C)(O)C2CC2)CCN1C(=O)c1cnc[n-]c1=O ZINC001282253694 1261391512 /nfs/dbraw/zinc/39/15/12/1261391512.db2.gz JJVYKPNTVKROGN-PMUMKWKESA-N -1 3 362.430 0.843 10 0 FCAEHM CC(=O)NCC(C)(C)C(=O)N[C@H]1CCN(C(=O)c2cnc[n-]c2=O)[C@@H]1C ZINC001282364363 1261429444 /nfs/dbraw/zinc/42/94/44/1261429444.db2.gz SEEZYMSKSNGYQH-MFKMUULPSA-N -1 3 363.418 0.064 10 0 FCAEHM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1cc(C(=O)OC(C)C)n[n-]1 ZINC001472091250 1261435032 /nfs/dbraw/zinc/43/50/32/1261435032.db2.gz SRZOMFZBHAVMJZ-LBPRGKRZSA-N -1 3 365.390 0.041 10 0 FCAEHM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1cc(C(=O)OC(C)C)[n-]n1 ZINC001472091250 1261435039 /nfs/dbraw/zinc/43/50/39/1261435039.db2.gz SRZOMFZBHAVMJZ-LBPRGKRZSA-N -1 3 365.390 0.041 10 0 FCAEHM CO[C@@H](C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)C(=O)OC(C)(C)C ZINC001472253958 1261455798 /nfs/dbraw/zinc/45/57/98/1261455798.db2.gz FINBFCSBWJGYEF-MFKMUULPSA-N -1 3 352.391 0.234 10 0 FCAEHM CO[C@@H]1CCn2cc(C(=O)N[C@@H]3CCN(c4cc(=O)[n-]cn4)C3)nc2C1 ZINC001472254063 1261455957 /nfs/dbraw/zinc/45/59/57/1261455957.db2.gz IFTRZLSGIAYGPP-VXGBXAGGSA-N -1 3 358.402 0.349 10 0 FCAEHM Cc1oc2nc[nH]c(=O)c2c1C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001472253660 1261456044 /nfs/dbraw/zinc/45/60/44/1261456044.db2.gz UFWHZBAOWAESIF-SECBINFHSA-N -1 3 356.342 0.741 10 0 FCAEHM COC1(CC(=O)N2C[C@@H](CNC(=O)c3cnc[n-]c3=O)[C@H](C)C2)CCC1 ZINC001282490382 1261482663 /nfs/dbraw/zinc/48/26/63/1261482663.db2.gz PWAHGNGJRCCBKC-CHWSQXEVSA-N -1 3 362.430 0.966 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(CC(=O)NC(=O)NC3CCCC3)CC2)n1 ZINC001473803032 1261499752 /nfs/dbraw/zinc/49/97/52/1261499752.db2.gz UEANVQHUBXUYDX-UHFFFAOYSA-N -1 3 362.434 0.381 10 0 FCAEHM CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1c(C)nc(C)[n-]c1=O ZINC001282603223 1261547072 /nfs/dbraw/zinc/54/70/72/1261547072.db2.gz JASJLZDOQSEYTN-SNPRPXQTSA-N -1 3 362.430 0.626 10 0 FCAEHM O=C(CCCn1cccn1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O ZINC001282632933 1261560760 /nfs/dbraw/zinc/56/07/60/1261560760.db2.gz SBCSVEWEMMNXFU-SNPRPXQTSA-N -1 3 370.413 0.721 10 0 FCAEHM CC(C)OCC(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)c2cnc[n-]c2=O)C1 ZINC001282835826 1261652331 /nfs/dbraw/zinc/65/23/31/1261652331.db2.gz GXNJLWYEMMVTOK-UGSOOPFHSA-N -1 3 362.430 0.966 10 0 FCAEHM CCCN(CCNC(=O)c1cnc[n-]c1=O)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001284709530 1261779801 /nfs/dbraw/zinc/77/98/01/1261779801.db2.gz XIQJKJZXCZADIK-VXGBXAGGSA-N -1 3 358.402 0.677 10 0 FCAEHM O=C(NC/C=C\CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)c1cnc[n-]c1=O ZINC001285580319 1261855501 /nfs/dbraw/zinc/85/55/01/1261855501.db2.gz OXUFVCNYGLQXLF-CIKQRIOISA-N -1 3 360.414 0.647 10 0 FCAEHM C[C@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)N(C)C(=O)c1cnc[n-]c1=O ZINC001285762874 1261875135 /nfs/dbraw/zinc/87/51/35/1261875135.db2.gz OHNUUXOEGDHCAN-KWCYVHTRSA-N -1 3 362.430 0.822 10 0 FCAEHM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCCc2c(=O)[n-]cnc21 ZINC001288088455 1261995751 /nfs/dbraw/zinc/99/57/51/1261995751.db2.gz OQGRLRZPICERLX-UHFFFAOYSA-N -1 3 363.418 0.271 10 0 FCAEHM O=C(CCCn1ccnc1)N1CC[C@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@H]21 ZINC001288968289 1262053439 /nfs/dbraw/zinc/05/34/39/1262053439.db2.gz LUHPZGPUBCRFJJ-DZGCQCFKSA-N -1 3 370.413 0.532 10 0 FCAEHM CCOCC(=O)N1C[C@@H]2CCN(C(=O)c3ccc4c(c3)C(=O)[N-]C4=O)[C@@H]2C1 ZINC001288980521 1262057504 /nfs/dbraw/zinc/05/75/04/1262057504.db2.gz ZAOJCLHNNCGPAD-SWLSCSKDSA-N -1 3 371.393 0.280 10 0 FCAEHM O=C(CCCn1cccc1)N1C[C@@H](O)[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001289012711 1262068696 /nfs/dbraw/zinc/06/86/96/1262068696.db2.gz AQZVCMGPJBKDRM-NVXWUHKLSA-N -1 3 357.410 0.976 10 0 FCAEHM CC/C=C(\C)C(=O)N[C@@H]1CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C[C@@H]1O ZINC001289581109 1262259504 /nfs/dbraw/zinc/25/95/04/1262259504.db2.gz ZWAISCASMZSAER-JIEHESFCSA-N -1 3 360.414 0.717 10 0 FCAEHM C[C@H](OCc1ccncc1)C(=O)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@H]1C ZINC001290668818 1262489562 /nfs/dbraw/zinc/48/95/62/1262489562.db2.gz BIAXSTVEYXAZOV-DYEKYZERSA-N -1 3 358.402 0.524 10 0 FCAEHM CC(=O)CCCC(=O)N1C[C@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@@]2(C)C1 ZINC001290800871 1262509544 /nfs/dbraw/zinc/50/95/44/1262509544.db2.gz DZAZJQVYNUBQQI-SCLBCKFNSA-N -1 3 360.414 0.862 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NCC[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1C ZINC001291666471 1262576104 /nfs/dbraw/zinc/57/61/04/1262576104.db2.gz NVADOMKOLLDCTJ-ZYHUDNBSSA-N -1 3 358.402 0.742 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NCC[C@@H]1CN(C(=O)c2ccn[nH]2)C[C@H]1C ZINC001291666471 1262576106 /nfs/dbraw/zinc/57/61/06/1262576106.db2.gz NVADOMKOLLDCTJ-ZYHUDNBSSA-N -1 3 358.402 0.742 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CCNC(=O)c1ncccn1 ZINC001291669578 1262576804 /nfs/dbraw/zinc/57/68/04/1262576804.db2.gz UMPPELGUENMCBO-VXGBXAGGSA-N -1 3 356.386 0.500 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C(=Cc1ccc(F)cc1)n1nnnc1C ZINC001292969521 1262707140 /nfs/dbraw/zinc/70/71/40/1262707140.db2.gz KOQULTSTRDRFBF-BUYRESAOSA-N -1 3 371.376 0.747 10 0 FCAEHM CN1C(=O)CO[C@H](C(=O)N2CCc3nc[n-]c(=O)c3C2)[C@H]1c1cccnc1 ZINC001296621949 1262827020 /nfs/dbraw/zinc/82/70/20/1262827020.db2.gz ZGIAVWAKBYYWHM-CVEARBPZSA-N -1 3 369.381 0.060 10 0 FCAEHM Cc1nc(C)c(CC(=O)NC/C=C/CNC(=O)[C@]23C[C@H]2COC3)c(=O)[n-]1 ZINC001298410645 1262924871 /nfs/dbraw/zinc/92/48/71/1262924871.db2.gz ZUCKUBLSHGFCBY-PLFJJOTPSA-N -1 3 360.414 0.167 10 0 FCAEHM Cc1nc(C)c(CC(=O)NC[C@@H](C)NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c(=O)[n-]1 ZINC001298662483 1262936556 /nfs/dbraw/zinc/93/65/56/1262936556.db2.gz PWJYUDRXAHZHLM-BCPFTXANSA-N -1 3 374.441 0.386 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)[C@H]3CCC4N=NC(=O)N4C3)cc2n(C)c1=O ZINC001298800676 1262942236 /nfs/dbraw/zinc/94/22/36/1262942236.db2.gz TYTGOYBYNJRCHY-QMMMGPOBSA-N -1 3 358.358 0.081 10 0 FCAEHM COCCCn1nc(C(=O)NC(C)(C)c2nc(C)cc(=O)[n-]2)ccc1=O ZINC001300180119 1262984077 /nfs/dbraw/zinc/98/40/77/1262984077.db2.gz QVVKZQDZELGKSJ-UHFFFAOYSA-N -1 3 361.402 0.749 10 0 FCAEHM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001300192821 1262984289 /nfs/dbraw/zinc/98/42/89/1262984289.db2.gz BKGNZHHKWKPFIA-NSHDSACASA-N -1 3 365.434 0.241 10 0 FCAEHM O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001300193864 1262985209 /nfs/dbraw/zinc/98/52/09/1262985209.db2.gz MJJLYAZAFBVBEX-NSHDSACASA-N -1 3 369.381 0.937 10 0 FCAEHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)[C@@H]1C[C@H](O)CN1c1ccncn1 ZINC001301760463 1263020061 /nfs/dbraw/zinc/02/00/61/1263020061.db2.gz LGCXDBNIVOEJTK-KBPBESRZSA-N -1 3 370.413 0.496 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)N[C@H]1CCN(C2CCC2)C1=O ZINC001479065870 1263162449 /nfs/dbraw/zinc/16/24/49/1263162449.db2.gz PBPOIBRMZKVYPB-AAEUAGOBSA-N -1 3 360.418 0.214 10 0 FCAEHM C[C@](O)(CNC(=O)NCc1nc2c(c(=O)[n-]1)COCC2)C(F)(F)F ZINC001479156490 1263173007 /nfs/dbraw/zinc/17/30/07/1263173007.db2.gz KDMGNEXEGDEVOZ-LBPRGKRZSA-N -1 3 350.297 0.367 10 0 FCAEHM CCOC(=O)[C@@H](F)C1CN(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)C1 ZINC001479508980 1263234973 /nfs/dbraw/zinc/23/49/73/1263234973.db2.gz RPBGMWRRUVBISV-FZMZJTMJSA-N -1 3 367.381 0.304 10 0 FCAEHM C[C@H](CCNC(=O)c1cnc[n-]c1=O)NC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001580382532 1278198574 /nfs/dbraw/zinc/19/85/74/1278198574.db2.gz MKVWMKDODFPVKJ-KWCYVHTRSA-N -1 3 362.430 0.870 10 0 FCAEHM CCCNC(=O)NC(=O)CN1CC[C@H](NC(=O)c2ccccc2[O-])[C@H]1C ZINC001479697908 1263347801 /nfs/dbraw/zinc/34/78/01/1263347801.db2.gz JSKOBCRZIIQTRI-OCCSQVGLSA-N -1 3 362.430 0.821 10 0 FCAEHM O=C(CCn1ccccc1=O)NC[C@H]1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001316655116 1263400854 /nfs/dbraw/zinc/40/08/54/1263400854.db2.gz SJXOPOSXRFBCCS-QWHCGFSZSA-N -1 3 360.418 0.137 10 0 FCAEHM COc1ccc(CC(=O)NC[C@H]2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)nc1 ZINC001316656302 1263401565 /nfs/dbraw/zinc/40/15/65/1263401565.db2.gz ADHDLRJOIOTUEW-NWDGAFQWSA-N -1 3 360.418 0.531 10 0 FCAEHM Cc1nc(C)c(CC(=O)NC[C@H]2CC[C@@H](NCc3cnon3)C2)c(=O)[n-]1 ZINC001316667511 1263409111 /nfs/dbraw/zinc/40/91/11/1263409111.db2.gz VGDUFAZZIQQFIQ-QWHCGFSZSA-N -1 3 360.418 0.799 10 0 FCAEHM O=C(NCCCN(C(=O)c1cnc[n-]c1=O)C1CC1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001493084409 1263697344 /nfs/dbraw/zinc/69/73/44/1263697344.db2.gz PENQRWXZARPWLU-CHWSQXEVSA-N -1 3 370.413 0.820 10 0 FCAEHM CC[C@@H](CNC(=O)Cc1c(C)nc(C)[n-]c1=O)NC(=O)[C@]12C[C@H]1COC2 ZINC001499090740 1264003046 /nfs/dbraw/zinc/00/30/46/1264003046.db2.gz DZHATUGLQJMXGP-LXIYXOSZSA-N -1 3 362.430 0.389 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@@H](O)CNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001501538548 1264129980 /nfs/dbraw/zinc/12/99/80/1264129980.db2.gz BXAJSEMOSRXATG-RWMBFGLXSA-N -1 3 364.446 0.770 10 0 FCAEHM O=C(NCc1cscn1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001322024487 1264133362 /nfs/dbraw/zinc/13/33/62/1264133362.db2.gz VAVCDOSVRNDBLY-UHFFFAOYSA-N -1 3 374.422 0.450 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@H](C)CCCCNC(=O)[C@]12C[C@H]1COC2 ZINC001512708310 1264641833 /nfs/dbraw/zinc/64/18/33/1264641833.db2.gz TWRYPEMGWYXUNE-YNKQFZHNSA-N -1 3 362.430 0.932 10 0 FCAEHM Cn1[n-]c(CNC[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C2CCCC2)nc1=O ZINC001324497428 1264658432 /nfs/dbraw/zinc/65/84/32/1264658432.db2.gz LTTLEQWXMKYVSH-TUVASFSCSA-N -1 3 363.462 0.441 10 0 FCAEHM COCCC[C@H](C)C(=O)N1C[C@@H]2CCN(C(=O)c3cnc[n-]c3=O)[C@@H]2C1 ZINC001512826254 1264677851 /nfs/dbraw/zinc/67/78/51/1264677851.db2.gz UTGCVKSMDNJIKP-KCQAQPDRSA-N -1 3 362.430 0.918 10 0 FCAEHM CCOCCCC(=O)N1C[C@@H]2CCN(C(=O)c3c(C)nc[n-]c3=O)[C@@H]2C1 ZINC001512843962 1264689161 /nfs/dbraw/zinc/68/91/61/1264689161.db2.gz AXGHIEYZDAUTDS-UONOGXRCSA-N -1 3 362.430 0.980 10 0 FCAEHM CCC[C@@H](CC(C)C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001512984612 1264795234 /nfs/dbraw/zinc/79/52/34/1264795234.db2.gz QZMNXXWAXYTUBL-NWANDNLSSA-N -1 3 364.446 0.946 10 0 FCAEHM COC[C@H](C)CC(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1C ZINC001513292000 1265020631 /nfs/dbraw/zinc/02/06/31/1265020631.db2.gz RRZBWSLDWKUSKZ-NQBHXWOUSA-N -1 3 350.419 0.740 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1C[C@@H]2C[C@H]1C[S@]2=O ZINC001327426870 1265317476 /nfs/dbraw/zinc/31/74/76/1265317476.db2.gz JVOMPUQEXMGMHM-AOTXYTFASA-N -1 3 372.450 0.805 10 0 FCAEHM CN([C@@H]1CCN(CC(=O)[O-])C1=O)C1CCN(C(=O)c2ccccc2)CC1 ZINC001327588745 1265366144 /nfs/dbraw/zinc/36/61/44/1265366144.db2.gz UBPUATSGPUPDOG-MRXNPFEDSA-N -1 3 359.426 0.909 10 0 FCAEHM C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001327588748 1265366531 /nfs/dbraw/zinc/36/65/31/1265366531.db2.gz UDLUIRZAHGUDMZ-VHCOLVSPSA-N -1 3 360.370 0.629 10 0 FCAEHM CCO[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc[n-]c1=O)C2)C1CC1 ZINC001522293069 1266473803 /nfs/dbraw/zinc/47/38/03/1266473803.db2.gz JJIUSMHASLIZFU-REBRKWNGSA-N -1 3 360.414 0.859 10 0 FCAEHM CCOCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(=O)[n-]c(C3CC3)n1)C2 ZINC001522295840 1266476521 /nfs/dbraw/zinc/47/65/21/1266476521.db2.gz LGQOSNDMGONVPV-BZPMIXESSA-N -1 3 360.414 0.958 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)N(CC)CCCNC(=O)c1cnc[n-]c1=O ZINC001523898173 1266667164 /nfs/dbraw/zinc/66/71/64/1266667164.db2.gz UXNXTHGPMMKSDF-OCCSQVGLSA-N -1 3 350.419 0.966 10 0 FCAEHM C(Cc1nnc(N2CC[C@H](C3CC3)C2)n1C[C@H]1CCCO1)c1nnn[n-]1 ZINC001525274425 1266749494 /nfs/dbraw/zinc/74/94/94/1266749494.db2.gz BMLKMWRPBOUNJK-UONOGXRCSA-N -1 3 358.450 0.992 10 0 FCAEHM C(Cc1nnc(N2CC[C@H](C3CC3)C2)n1C[C@H]1CCCO1)c1nn[n-]n1 ZINC001525274425 1266749500 /nfs/dbraw/zinc/74/95/00/1266749500.db2.gz BMLKMWRPBOUNJK-UONOGXRCSA-N -1 3 358.450 0.992 10 0 FCAEHM CO[C@H](C(=O)[O-])C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC001334026004 1266785491 /nfs/dbraw/zinc/78/54/91/1266785491.db2.gz RPUXVJVNFHOMBS-GJZGRUSLSA-N -1 3 363.414 0.891 10 0 FCAEHM O=C(C[C@@H]1CCNC1=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001526511957 1266813169 /nfs/dbraw/zinc/81/31/69/1266813169.db2.gz QBHATZOOXHUWFT-QMMMGPOBSA-N -1 3 365.864 0.322 10 0 FCAEHM C[C@@H](CNC(=O)c1cc(=O)[n-]c(C2CC2)n1)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001526687073 1266829438 /nfs/dbraw/zinc/82/94/38/1266829438.db2.gz MWVWZPKEDPJKTC-PXYJVIPOSA-N -1 3 372.425 0.718 10 0 FCAEHM COC1(CS(=O)(=O)[N-]Cc2nc3c(s2)COCC3)CCOCC1 ZINC001334322928 1266948063 /nfs/dbraw/zinc/94/80/63/1266948063.db2.gz XWZRPDBRLNDESG-UHFFFAOYSA-N -1 3 362.473 0.831 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NCCN(C)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001528542362 1266978800 /nfs/dbraw/zinc/97/88/00/1266978800.db2.gz HCQWYACWXRWVQU-VXGBXAGGSA-N -1 3 358.402 0.216 10 0 FCAEHM Cc1ncc(CC(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)o1 ZINC001530040256 1267093111 /nfs/dbraw/zinc/09/31/11/1267093111.db2.gz VOLRVHYVJISKJB-UHFFFAOYSA-N -1 3 359.354 0.898 10 0 FCAEHM CC[C@H](CNC(=O)c1c(C)nc[n-]c1=O)NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001531411726 1267134385 /nfs/dbraw/zinc/13/43/85/1267134385.db2.gz BELZXXNGBCPUFL-SFDCQRBFSA-N -1 3 362.430 0.930 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001533941627 1267246728 /nfs/dbraw/zinc/24/67/28/1267246728.db2.gz MYZZLQKINMDVON-DDTOSNHZSA-N -1 3 355.398 0.924 10 0 FCAEHM COC(=O)Cc1nnc(NC(=O)c2c(C)c(=O)n(C)c3ccccc32)[n-]1 ZINC001544413860 1267579742 /nfs/dbraw/zinc/57/97/42/1267579742.db2.gz KFGUDFBXTZSTAV-UHFFFAOYSA-N -1 3 355.354 0.933 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)c2c(C)c(=O)n(C)c3ccccc32)n[n-]1 ZINC001544413860 1267579747 /nfs/dbraw/zinc/57/97/47/1267579747.db2.gz KFGUDFBXTZSTAV-UHFFFAOYSA-N -1 3 355.354 0.933 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](CC)C(=O)N2CCOCC2)c1 ZINC001545202248 1267607830 /nfs/dbraw/zinc/60/78/30/1267607830.db2.gz UULBVANLADMJTD-CQSZACIVSA-N -1 3 361.398 0.884 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@@H](O)CN(C)C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001338568912 1267990271 /nfs/dbraw/zinc/99/02/71/1267990271.db2.gz DJNUPWZLHSLTTJ-MJBXVCDLSA-N -1 3 362.430 0.476 10 0 FCAEHM CC(=O)NCC(=O)NCC(=O)Nc1c(C)c(Br)ccc1[O-] ZINC001556771058 1268894854 /nfs/dbraw/zinc/89/48/54/1268894854.db2.gz JGBWUUXSFXVLMF-UHFFFAOYSA-N -1 3 358.192 0.654 10 0 FCAEHM O=C(CCNS(=O)(=O)c1cccnc1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001557316733 1268942612 /nfs/dbraw/zinc/94/26/12/1268942612.db2.gz NISCHFARAMILPO-NSHDSACASA-N -1 3 365.415 0.195 10 0 FCAEHM COc1ccc(OC)c(C2=NO[C@H](C(=O)NCCCc3c[n-][nH]c3=O)C2)c1 ZINC001557701796 1268967750 /nfs/dbraw/zinc/96/77/50/1268967750.db2.gz ZJPLIJIKROBNMM-BZNIZROVSA-N -1 3 374.397 0.825 10 0 FCAEHM O=C(CNC(=O)c1cnc(Cl)c(Cl)c1)NCCCc1c[n-][nH]c1=O ZINC001557701456 1268968347 /nfs/dbraw/zinc/96/83/47/1268968347.db2.gz PWPILJOKZJRHQC-QMMMGPOBSA-N -1 3 372.212 0.746 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)N[C@H]2CC[C@@H](O)[C@@H](O)CC2)c([O-])c1 ZINC001558436128 1269091402 /nfs/dbraw/zinc/09/14/02/1269091402.db2.gz QEBAKNOPQLKTIN-YOWGUQMCSA-N -1 3 350.415 0.601 10 0 FCAEHM C[C@H](NC(=O)CCCCCS(N)(=O)=O)c1nc(C(F)(F)F)n[n-]1 ZINC001558573656 1269115712 /nfs/dbraw/zinc/11/57/12/1269115712.db2.gz DCKPRYNZIGNPGV-ZETCQYMHSA-N -1 3 357.358 0.850 10 0 FCAEHM COC(=O)[C@](C)(Cn1cnc2ccccc21)NC(=O)c1cnncc1[O-] ZINC001558577895 1269115918 /nfs/dbraw/zinc/11/59/18/1269115918.db2.gz DAISNDFVKDEUIW-KRWDZBQOSA-N -1 3 355.354 0.894 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccc(Cn2ccnn2)o1 ZINC001558698816 1269133086 /nfs/dbraw/zinc/13/30/86/1269133086.db2.gz OENYCBZYHUQNLU-LLVKDONJSA-N -1 3 355.358 0.424 10 0 FCAEHM O=C1CCCN1C[C@@H](O)C[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC001341920376 1269266802 /nfs/dbraw/zinc/26/68/02/1269266802.db2.gz UJLTZZGIGKMCPE-VIFPVBQESA-N -1 3 367.349 0.362 10 0 FCAEHM COC1(OC)CC(CNC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)C1 ZINC001565444967 1269473758 /nfs/dbraw/zinc/47/37/58/1269473758.db2.gz ZFVOHWFQXMSNMY-GFCCVEGCSA-N -1 3 351.407 0.459 10 0 FCAEHM COc1ccc(OC)c(C2=NO[C@@H](C(=O)NCCc3c(C)[n-][nH]c3=O)C2)c1 ZINC001565612219 1269482668 /nfs/dbraw/zinc/48/26/68/1269482668.db2.gz HANQGWXEYRBSDO-MLGOLLRUSA-N -1 3 374.397 0.825 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C[C@H]1NC(=O)CCCF ZINC001342515661 1269499088 /nfs/dbraw/zinc/49/90/88/1269499088.db2.gz VOBQLCHKDVBVEC-QMTHXVAHSA-N -1 3 361.373 0.897 10 0 FCAEHM C[C@H](CNCc1nc(=O)n(C)[n-]1)NC(=O)C[C@@H]1C[C@H]1Cc1ccccc1 ZINC001569008575 1269760345 /nfs/dbraw/zinc/76/03/45/1269760345.db2.gz ZFLWEEITHVTRLP-BMFZPTHFSA-N -1 3 357.458 0.972 10 0 FCAEHM C[C@H]1COCCN1C1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)CC1 ZINC001569863594 1269812735 /nfs/dbraw/zinc/81/27/35/1269812735.db2.gz TWWDIHLUVADRJR-LBPRGKRZSA-N -1 3 353.423 0.181 10 0 FCAEHM O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001570107338 1269842310 /nfs/dbraw/zinc/84/23/10/1269842310.db2.gz DRDKEDUQLWTWAD-OKILXGFUSA-N -1 3 368.397 0.904 10 0 FCAEHM O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001570107338 1269842328 /nfs/dbraw/zinc/84/23/28/1269842328.db2.gz DRDKEDUQLWTWAD-OKILXGFUSA-N -1 3 368.397 0.904 10 0 FCAEHM O=C(NCc1nc(C(F)(F)F)n[n-]1)C(=O)N1CC[C@H](c2ccccn2)C1 ZINC001343345766 1269867479 /nfs/dbraw/zinc/86/74/79/1269867479.db2.gz HNZYMYSVTCEENK-VIFPVBQESA-N -1 3 368.319 0.851 10 0 FCAEHM CC(C)[C@@H](CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NC(=O)c1cnc[n-]c1=O ZINC001572195969 1270007746 /nfs/dbraw/zinc/00/77/46/1270007746.db2.gz GDZDENGYDHQNOA-MOBYMJLASA-N -1 3 374.441 0.866 10 0 FCAEHM C[C@]12COC[C@@H]1CN(c1nnc(-c3cnc[n-]c3=O)n1C[C@@H]1CCOC1)C2 ZINC001344183872 1270110420 /nfs/dbraw/zinc/11/04/20/1270110420.db2.gz NOVZZHRTAZJKHY-LXIYXOSZSA-N -1 3 372.429 0.950 10 0 FCAEHM CC(C)C[C@H](C)CC(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@@H]1O ZINC001573014249 1270506376 /nfs/dbraw/zinc/50/63/76/1270506376.db2.gz JMWIWBJTZBYDBY-YUTCNCBUSA-N -1 3 350.419 0.556 10 0 FCAEHM Cc1cc(C2(C(=O)NC[C@H]3CC[C@@H](NC(=O)c4cn[n-]n4)C3)CC2)on1 ZINC001573192443 1270652349 /nfs/dbraw/zinc/65/23/49/1270652349.db2.gz OZHJGPOTAUPLIV-NWDGAFQWSA-N -1 3 358.402 0.848 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)CCc2cnn(C)c2)CCN1C(=O)c1cnc[n-]c1=O ZINC001573514710 1270803269 /nfs/dbraw/zinc/80/32/69/1270803269.db2.gz HRBDRVZTUVXRCQ-RISCZKNCSA-N -1 3 358.402 0.268 10 0 FCAEHM O=C(CNC(=O)C1CC1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1[O-])C2 ZINC001574174455 1271082045 /nfs/dbraw/zinc/08/20/45/1271082045.db2.gz DWZMSHBQDANTQK-SNPRPXQTSA-N -1 3 357.410 0.780 10 0 FCAEHM CO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c(C)nc[n-]c1=O)C1CC1 ZINC001574443134 1271278255 /nfs/dbraw/zinc/27/82/55/1271278255.db2.gz UMJYPPQYKGDFTA-GUIRCDHDSA-N -1 3 360.414 0.777 10 0 FCAEHM CN(CCCNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)C(=O)[C@]12C[C@H]1COC2 ZINC001577229671 1274265527 /nfs/dbraw/zinc/26/55/27/1274265527.db2.gz KMHBQHMJDBICAS-BUXKBTBVSA-N -1 3 371.393 0.185 10 0 FCAEHM Cn1[n-]c(CN2CCC[C@H]2CCCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)nc1=O ZINC001713438613 1287279212 /nfs/dbraw/zinc/27/92/12/1287279212.db2.gz GJJZABASGFFSRB-TUVASFSCSA-N -1 3 363.462 0.537 10 0 FCAEHM CC[C@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)NCc1nc(=O)n(C)[n-]1 ZINC001714089427 1287313290 /nfs/dbraw/zinc/31/32/90/1287313290.db2.gz GOHJADAITCCGGZ-HZSPNIEDSA-N -1 3 351.451 0.156 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)N[C@H](CNCc1nc(=O)n(C)[n-]1)CC(C)C ZINC001714918523 1287338249 /nfs/dbraw/zinc/33/82/49/1287338249.db2.gz QNEKHKWOVQFHJR-IPYPFGDCSA-N -1 3 353.467 0.544 10 0 FCAEHM Cn1[n-]c(CNC[C@@](C)(NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C2CC2)nc1=O ZINC001715113947 1287345108 /nfs/dbraw/zinc/34/51/08/1287345108.db2.gz CJJPJTHHDSLJRY-KMXJZHQMSA-N -1 3 363.462 0.298 10 0 FCAEHM CCN(CCNC(=O)c1cnc[n-]c1=O)C(=O)[C@@H]1C[C@H]1c1ccnn1C ZINC001581118766 1279418780 /nfs/dbraw/zinc/41/87/80/1279418780.db2.gz IGHAQHLYFMDPEK-VXGBXAGGSA-N -1 3 358.402 0.298 10 0 FCAEHM C[C@]1(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)Oc2ccccc2NC1=O ZINC001603292291 1287347473 /nfs/dbraw/zinc/34/74/73/1287347473.db2.gz PEDUIQXIBGMUAD-BBATYDOGSA-N -1 3 369.381 0.667 10 0 FCAEHM O=C(C[C@H]1CCCS(=O)(=O)C1)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001603292539 1287347563 /nfs/dbraw/zinc/34/75/63/1287347563.db2.gz QWPUHTPRQUPDOF-NEPJUHHUSA-N -1 3 354.432 0.092 10 0 FCAEHM CCOC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)C1 ZINC001603293487 1287348356 /nfs/dbraw/zinc/34/83/56/1287348356.db2.gz WWCRVRDFKBLKLY-QWHCGFSZSA-N -1 3 363.418 0.746 10 0 FCAEHM O=C(NCCN(C(=O)c1cnc[n-]c1=O)C1CC1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001581502683 1280053186 /nfs/dbraw/zinc/05/31/86/1280053186.db2.gz UKXKBBSAJGFAQO-MIBAYGRRSA-N -1 3 358.398 0.326 10 0 FCAEHM CCCCO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@@H]1O ZINC001735906734 1289015774 /nfs/dbraw/zinc/01/57/74/1289015774.db2.gz RJVQAPJWIMSRAQ-BJJXKVORSA-N -1 3 350.415 0.899 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)NC[C@@H](C)CNC(=O)c1c(C)nc[n-]c1=O ZINC001582842683 1282040869 /nfs/dbraw/zinc/04/08/69/1282040869.db2.gz UJNZLFKKQSUIHJ-SUHUHFCYSA-N -1 3 350.419 0.788 10 0 FCAEHM C[C@@]1(c2cccc(C(=O)N3CC[C@H](c4cc(=O)[nH][n-]4)C3)c2)NC(=O)NC1=O ZINC001583357309 1282082815 /nfs/dbraw/zinc/08/28/15/1282082815.db2.gz HOOIASXQNBTSSJ-VOJFVSQTSA-N -1 3 369.381 0.800 10 0 FCAEHM C[C@@H]1Oc2ccccc2N(CC(=O)NCc2cc(=O)[n-]c(=S)[nH]2)C1=O ZINC001583369229 1282085015 /nfs/dbraw/zinc/08/50/15/1282085015.db2.gz PVTNRHNUZICHJT-VIFPVBQESA-N -1 3 360.395 0.901 10 0 FCAEHM Cc1cc(=O)[n-]c(CNC(=O)[C@H]2OCC[C@H]2NC(=O)OC(C)(C)C)n1 ZINC001583383708 1282086903 /nfs/dbraw/zinc/08/69/03/1282086903.db2.gz XBFVMUFSPLOODC-MFKMUULPSA-N -1 3 352.391 0.789 10 0 FCAEHM CNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)c1 ZINC001631826596 1282118476 /nfs/dbraw/zinc/11/84/76/1282118476.db2.gz PRFRYZIRTJNQIH-LLVKDONJSA-N -1 3 350.400 0.653 10 0 FCAEHM CNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)c1 ZINC001631826597 1282119227 /nfs/dbraw/zinc/11/92/27/1282119227.db2.gz PRFRYZIRTJNQIH-NSHDSACASA-N -1 3 350.400 0.653 10 0 FCAEHM Cn1cc(N2C[C@@H](C(=O)NCc3cc(=O)[n-]c(=S)[nH]3)CCC2=O)cn1 ZINC001631842595 1282121543 /nfs/dbraw/zinc/12/15/43/1282121543.db2.gz OZGYUBVMEJZLTO-VIFPVBQESA-N -1 3 362.415 0.264 10 0 FCAEHM CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001631842827 1282121612 /nfs/dbraw/zinc/12/16/12/1282121612.db2.gz ZMYNDXVXJVEJII-LLVKDONJSA-N -1 3 374.488 0.681 10 0 FCAEHM CON(C)C[C@@H](O)Cn1cc(NC(=O)c2ccc(C(C)=O)c([O-])c2)cn1 ZINC001631874798 1282128072 /nfs/dbraw/zinc/12/80/72/1282128072.db2.gz ASQHLFHCDILFPD-CQSZACIVSA-N -1 3 362.386 0.898 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(NS(C)(=O)=O)cc1Cl ZINC001585162989 1282206963 /nfs/dbraw/zinc/20/69/63/1282206963.db2.gz CTBYEXISTYVQBN-SNVBAGLBSA-N -1 3 372.834 0.953 10 0 FCAEHM Cc1nc(C)c(CCC(=O)N2CCC(CN3CCNC3=O)CC2)c(=O)[n-]1 ZINC001585426471 1282227767 /nfs/dbraw/zinc/22/77/67/1282227767.db2.gz YKSWTZARFHAGJI-UHFFFAOYSA-N -1 3 361.446 0.995 10 0 FCAEHM O=C(CCC(=O)N1CC(=O)Nc2ccccc21)NCCCc1c[n-][nH]c1=O ZINC001585933229 1282257053 /nfs/dbraw/zinc/25/70/53/1282257053.db2.gz FDSFXFPIECNXPR-LBPRGKRZSA-N -1 3 371.397 0.380 10 0 FCAEHM O=C(CNC(=O)c1ccc(Br)o1)NCCCc1c[n-][nH]c1=O ZINC001585933771 1282257628 /nfs/dbraw/zinc/25/76/28/1282257628.db2.gz LTXRGXGCYWFVQR-MRVPVSSYSA-N -1 3 371.191 0.400 10 0 FCAEHM CN1CCN(Cc2ccc(C(=O)NCCCc3c[n-][nH]c3=O)s2)CC1 ZINC001585936845 1282259018 /nfs/dbraw/zinc/25/90/18/1282259018.db2.gz BZMRSCQIGCCTFL-CYBMUJFWSA-N -1 3 363.487 0.737 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCCC[C@@H]1CCOC1=O ZINC001633877862 1282280315 /nfs/dbraw/zinc/28/03/15/1282280315.db2.gz YUDNMIVSVYIKJV-MRVPVSSYSA-N -1 3 374.191 0.171 10 0 FCAEHM CC(C)CNC(=O)N1CCC[C@@H](C(=O)NCCCc2c[n-][nH]c2=O)C1 ZINC001634143463 1282303096 /nfs/dbraw/zinc/30/30/96/1282303096.db2.gz JTTLKXNICOIKMK-UONOGXRCSA-N -1 3 351.451 0.692 10 0 FCAEHM CCNS(=O)(=O)c1cccc(C(=O)NCCCc2c[n-][nH]c2=O)c1 ZINC001634138574 1282303408 /nfs/dbraw/zinc/30/34/08/1282303408.db2.gz FFYYAHBGZLFJDL-GFCCVEGCSA-N -1 3 352.416 0.227 10 0 FCAEHM CCNS(=O)(=O)c1cccc(C(=O)NCCCc2c[n-][nH]c2=O)c1 ZINC001634138575 1282304225 /nfs/dbraw/zinc/30/42/25/1282304225.db2.gz FFYYAHBGZLFJDL-LBPRGKRZSA-N -1 3 352.416 0.227 10 0 FCAEHM C[C@H]1CN(CC(C)(C)O)CCN1C(=O)c1nc[n-]c(=O)c1Br ZINC001634215367 1282310476 /nfs/dbraw/zinc/31/04/76/1282310476.db2.gz VDSHLYONYDYRCK-VIFPVBQESA-N -1 3 373.251 0.862 10 0 FCAEHM NS(=O)(=O)c1cc(C(=O)NCc2cc(=O)[n-]c(C3CC3)n2)cs1 ZINC001634445405 1282330239 /nfs/dbraw/zinc/33/02/39/1282330239.db2.gz CZYBTRJROQORDD-UHFFFAOYSA-N -1 3 354.413 0.699 10 0 FCAEHM COC(=O)[C@@H](CCC1OCCO1)NC(=O)c1cc2c(cc1[O-])OCO2 ZINC001587982764 1282392467 /nfs/dbraw/zinc/39/24/67/1282392467.db2.gz YEUVRDYKKFMERV-SNVBAGLBSA-N -1 3 353.327 0.545 10 0 FCAEHM Cc1nc(C)c(CC(=O)N2CCC[C@@H]2CNC(=O)c2cnn(C)c2)c(=O)[n-]1 ZINC001635447716 1282406324 /nfs/dbraw/zinc/40/63/24/1282406324.db2.gz GLWFEQCHUGNLCI-CQSZACIVSA-N -1 3 372.429 0.496 10 0 FCAEHM COc1ccc(NC(=O)[C@]2(C)C[C@H](O)CN2C)cc1[N-]S(C)(=O)=O ZINC001588163821 1282406599 /nfs/dbraw/zinc/40/65/99/1282406599.db2.gz YSUCCNLCJOEEBP-NHYWBVRUSA-N -1 3 357.432 0.460 10 0 FCAEHM CCOc1nnc(NC(=O)c2cccc(S(=O)(=O)N(C)OC)c2)[n-]1 ZINC001636064355 1282456830 /nfs/dbraw/zinc/45/68/30/1282456830.db2.gz ZGTUKTIZNAQWFZ-UHFFFAOYSA-N -1 3 355.376 0.638 10 0 FCAEHM CCOc1nc(NC(=O)c2cccc(S(=O)(=O)N(C)OC)c2)n[n-]1 ZINC001636064355 1282456836 /nfs/dbraw/zinc/45/68/36/1282456836.db2.gz ZGTUKTIZNAQWFZ-UHFFFAOYSA-N -1 3 355.376 0.638 10 0 FCAEHM CCOc1n[n-]c(NC(=O)c2cccc(S(=O)(=O)N(C)OC)c2)n1 ZINC001636064355 1282456841 /nfs/dbraw/zinc/45/68/41/1282456841.db2.gz ZGTUKTIZNAQWFZ-UHFFFAOYSA-N -1 3 355.376 0.638 10 0 FCAEHM CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1 ZINC001636854834 1282542172 /nfs/dbraw/zinc/54/21/72/1282542172.db2.gz HQWPAMWPEAEAGN-GFCCVEGCSA-N -1 3 362.411 0.594 10 0 FCAEHM Cn1nc(-c2cccnc2)cc1C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001636854489 1282542285 /nfs/dbraw/zinc/54/22/85/1282542285.db2.gz CAHAIOXTVKZKJI-ZDUSSCGKSA-N -1 3 365.397 0.986 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccnc(N2CCCC2)n1 ZINC001636854768 1282542504 /nfs/dbraw/zinc/54/25/04/1282542504.db2.gz GZOICNRRJCUUHV-LBPRGKRZSA-N -1 3 355.402 0.581 10 0 FCAEHM COc1cc(COCC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)ccn1 ZINC001636855840 1282542929 /nfs/dbraw/zinc/54/29/29/1282542929.db2.gz SUZPUXPWWWBRMN-CYBMUJFWSA-N -1 3 359.386 0.498 10 0 FCAEHM O=C(C[C@@H]1NC(=O)c2ccccc21)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001636855850 1282544157 /nfs/dbraw/zinc/54/41/57/1282544157.db2.gz SWXNUIBJUILHQX-RISCZKNCSA-N -1 3 353.382 0.752 10 0 FCAEHM CC(C)CN(Cc1nnn[n-]1)C(=O)c1ccnc(N2CCN(C)CC2)c1 ZINC001637058053 1282556136 /nfs/dbraw/zinc/55/61/36/1282556136.db2.gz NKRFYXHUPXVREI-UHFFFAOYSA-N -1 3 358.450 0.645 10 0 FCAEHM CC(C)CN(Cc1nn[n-]n1)C(=O)c1ccnc(N2CCN(C)CC2)c1 ZINC001637058053 1282556146 /nfs/dbraw/zinc/55/61/46/1282556146.db2.gz NKRFYXHUPXVREI-UHFFFAOYSA-N -1 3 358.450 0.645 10 0 FCAEHM COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(=O)[n-]cn1 ZINC001637197508 1282575992 /nfs/dbraw/zinc/57/59/92/1282575992.db2.gz XGOLHKDZMBREES-LLVKDONJSA-N -1 3 352.391 0.890 10 0 FCAEHM CCOC(=O)c1ccc(NC(=O)C[C@]2(C)CCS(=O)(=O)N2)c([O-])c1 ZINC001637640484 1282610864 /nfs/dbraw/zinc/61/08/64/1282610864.db2.gz VXUKHWYCMAXNRH-HNNXBMFYSA-N -1 3 356.400 0.979 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CC[C@H](NC(=O)c3cc(Br)n[nH]3)C2)n1 ZINC001638198640 1282670750 /nfs/dbraw/zinc/67/07/50/1282670750.db2.gz BQKAZBYBODGUQA-QMMMGPOBSA-N -1 3 367.207 0.985 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@@H](O)[C@@H](O)CC2)ccc1F ZINC001638747192 1282718135 /nfs/dbraw/zinc/71/81/35/1282718135.db2.gz WHBRGQSMYSRGLC-UOJUARBOSA-N -1 3 360.407 0.128 10 0 FCAEHM NC(=O)C[C@H](NC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccccc1 ZINC001638865653 1282728994 /nfs/dbraw/zinc/72/89/94/1282728994.db2.gz XDKWHOYOTZMTSQ-KBPBESRZSA-N -1 3 370.413 0.677 10 0 FCAEHM Cn1cc(/C=C/C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)c(=O)n(C)c1=O ZINC001638877243 1282731308 /nfs/dbraw/zinc/73/13/08/1282731308.db2.gz WZSUBKDYMZEQLN-GQCTYLIASA-N -1 3 371.332 0.055 10 0 FCAEHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2ccnc(N3CCOCC3)n2)n1 ZINC001639610331 1282797510 /nfs/dbraw/zinc/79/75/10/1282797510.db2.gz KBDUBIILMVKDEL-UHFFFAOYSA-N -1 3 358.402 0.782 10 0 FCAEHM O=C(Cn1nc(-c2ccccc2)oc1=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001639635940 1282800753 /nfs/dbraw/zinc/80/07/53/1282800753.db2.gz XBALXFNYSQQYAT-LBPRGKRZSA-N -1 3 355.354 0.948 10 0 FCAEHM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC001639799553 1282816239 /nfs/dbraw/zinc/81/62/39/1282816239.db2.gz SUJUARDPEOQXQO-GJZGRUSLSA-N -1 3 373.413 0.191 10 0 FCAEHM NC(=O)C1CC2(C1)C[C@@H](NC(=O)c1ccccc1[O-])CCS2(=O)=O ZINC001639971824 1282828293 /nfs/dbraw/zinc/82/82/93/1282828293.db2.gz WSEWDBLJGQUAPJ-CSJGVYOVSA-N -1 3 352.412 0.333 10 0 FCAEHM COc1cccc(C[C@@H](O)C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)c1 ZINC001640110565 1282838858 /nfs/dbraw/zinc/83/88/58/1282838858.db2.gz SHOVTKJGCWXOKN-DZGCQCFKSA-N -1 3 358.398 0.489 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cn(C2CCOCC2)nn1 ZINC001640109232 1282840113 /nfs/dbraw/zinc/84/01/13/1282840113.db2.gz BMCKBDFYUSNPRS-NSHDSACASA-N -1 3 359.390 0.134 10 0 FCAEHM COc1cccc2c(C(=O)N[C@H]3CCN(c4cc(=O)[n-]cn4)C3)cnn21 ZINC001640110592 1282841148 /nfs/dbraw/zinc/84/11/48/1282841148.db2.gz TXJBIPJPPMUZKA-NSHDSACASA-N -1 3 354.370 0.847 10 0 FCAEHM CS(=O)(=O)c1ccc(NCC(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)cc1 ZINC001640600235 1282880766 /nfs/dbraw/zinc/88/07/66/1282880766.db2.gz JTJBHKCGXOPBFK-NSHDSACASA-N -1 3 364.427 0.947 10 0 FCAEHM CS(=O)(=O)C[C@@H]1CCCCN1C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001641578260 1282963497 /nfs/dbraw/zinc/96/34/97/1282963497.db2.gz MAPGJOJDDSETSA-NSHDSACASA-N -1 3 350.396 0.610 10 0 FCAEHM Cc1cc(=O)c(C(=O)NCCCc2c[n-][nH]c2=O)nn1-c1ccccc1 ZINC001642445076 1283010894 /nfs/dbraw/zinc/01/08/94/1283010894.db2.gz FREFGFVAKDEHNA-ZDUSSCGKSA-N -1 3 353.382 0.783 10 0 FCAEHM COc1ccc(C)cc1N1C[C@@H](C(=O)NCCCc2c[n-][nH]c2=O)CC1=O ZINC001642444866 1283011785 /nfs/dbraw/zinc/01/17/85/1283011785.db2.gz CGBPEWJSZSPBDY-KGLIPLIRSA-N -1 3 372.425 0.985 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N(C)C[C@H](C)NC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001680130988 1283396158 /nfs/dbraw/zinc/39/61/58/1283396158.db2.gz DMAOXYGIRUSIPC-ZBINZKHDSA-N -1 3 362.430 0.882 10 0 FCAEHM C[C@H](CN(C)C(=O)[C@H]1C[C@H]1C(N)=O)NC(=O)c1nnc2ccccc2c1[O-] ZINC001680167915 1283398230 /nfs/dbraw/zinc/39/82/30/1283398230.db2.gz LSYSNFJEQJGPRT-JLLWLGSASA-N -1 3 371.397 0.034 10 0 FCAEHM CCOC(=O)C[C@@H](C)CNC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001681245706 1283488457 /nfs/dbraw/zinc/48/84/57/1283488457.db2.gz GAYZSYLVXWSQCV-NEPJUHHUSA-N -1 3 351.407 0.649 10 0 FCAEHM CC(C)[C@H](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC001682459369 1283601985 /nfs/dbraw/zinc/60/19/85/1283601985.db2.gz WSZDSSNOGAOACF-KCPJHIHWSA-N -1 3 359.430 0.942 10 0 FCAEHM CCC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c(C)nc[n-]c2=O)C1)C(C)C ZINC001682605742 1283712643 /nfs/dbraw/zinc/71/26/43/1283712643.db2.gz BRBMSPPYZZYHCD-BFHYXJOUSA-N -1 3 364.446 0.864 10 0 FCAEHM COC(=O)C[C@H](CNC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)C1CC1 ZINC001682728400 1283761509 /nfs/dbraw/zinc/76/15/09/1283761509.db2.gz WLTASGAQACVISO-CHWSQXEVSA-N -1 3 363.418 0.649 10 0 FCAEHM CC(=O)N[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cn[n-]n2)C1)C1CCCC1 ZINC001682968661 1283818721 /nfs/dbraw/zinc/81/87/21/1283818721.db2.gz BKGUQTDJWALVKP-VCTAVGKDSA-N -1 3 362.434 0.076 10 0 FCAEHM CO[C@H](C(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1C)C1CCC1 ZINC001683002674 1283828692 /nfs/dbraw/zinc/82/86/92/1283828692.db2.gz PQYTWQVTXXGQSJ-YVLXSGLVSA-N -1 3 362.430 0.882 10 0 FCAEHM CO[C@@H](C(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1C)C1CCC1 ZINC001683002673 1283828719 /nfs/dbraw/zinc/82/87/19/1283828719.db2.gz PQYTWQVTXXGQSJ-WDBKCZKBSA-N -1 3 362.430 0.882 10 0 FCAEHM COCCOCCC(=O)N1C[C@@H](NC(=O)c2ccccc2[O-])[C@H](OC)C1 ZINC001683152737 1283875338 /nfs/dbraw/zinc/87/53/38/1283875338.db2.gz LQYBEZNEGGVFJO-GDBMZVCRSA-N -1 3 366.414 0.401 10 0 FCAEHM CCC(C)(C)CC(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@@H]1O ZINC001683488859 1284005474 /nfs/dbraw/zinc/00/54/74/1284005474.db2.gz LGVSHYHNXGCBQQ-NEPJUHHUSA-N -1 3 350.419 0.618 10 0 FCAEHM CC/C(C)=C/C(=O)N1C[C@@H](NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)[C@@H](O)C1 ZINC001683600097 1284055294 /nfs/dbraw/zinc/05/52/94/1284055294.db2.gz JJZLZBVBMBDLRU-PHGPQXGHSA-N -1 3 371.393 0.228 10 0 FCAEHM Cc1nn(C)c(C)c1CC(=O)NC[C@H]1CC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC001684494856 1284188113 /nfs/dbraw/zinc/18/81/13/1284188113.db2.gz BDUZTWDZEMDALG-QWHCGFSZSA-N -1 3 359.434 0.412 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CCC(Cn2cnnc2)CC1 ZINC001684560441 1284201474 /nfs/dbraw/zinc/20/14/74/1284201474.db2.gz FSLNNNKOBAGEMK-AWEZNQCLSA-N -1 3 372.433 0.474 10 0 FCAEHM C[C@@H](NC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)C(=O)NC(C)(C)C ZINC001684556949 1284201781 /nfs/dbraw/zinc/20/17/81/1284201781.db2.gz XDEZCENKUZBSEP-MNOVXSKESA-N -1 3 350.423 0.363 10 0 FCAEHM Cc1noc([C@@H]2CCCN2C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)n1 ZINC001684562730 1284203071 /nfs/dbraw/zinc/20/30/71/1284203071.db2.gz WVTWMVXWOYUOAC-RYUDHWBXSA-N -1 3 359.390 0.999 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)NCc1cc(=O)[n-]c(CNC(=O)C(C)(C)F)n1 ZINC001702604030 1285750767 /nfs/dbraw/zinc/75/07/67/1285750767.db2.gz IWOUXQVFOWMEJQ-NEPJUHHUSA-N -1 3 368.409 0.978 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)CNC(=O)C1CCCC1 ZINC001702634118 1285763709 /nfs/dbraw/zinc/76/37/09/1285763709.db2.gz VSYKATTXHJJAGI-GXTWGEPZSA-N -1 3 362.434 0.220 10 0 FCAEHM CCOCCO[C@H](C)C(=O)N1CC[C@H](NC(=O)c2cnc[n-]c2=O)[C@H]1C ZINC001702706460 1285802340 /nfs/dbraw/zinc/80/23/40/1285802340.db2.gz HVEZSZHQJBLVBR-BZPMIXESSA-N -1 3 366.418 0.343 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)C(=O)NCC(F)F)CCN1C(=O)c1ccccc1[O-] ZINC001702707602 1285804923 /nfs/dbraw/zinc/80/49/23/1285804923.db2.gz PNYZUIVOYKBIPF-KOLCDFICSA-N -1 3 355.341 0.493 10 0 FCAEHM CO[C@H](C)C(=O)N1CC[C@H](NC(=O)CCc2c(C)nc[n-]c2=O)[C@H]1C ZINC001702710413 1285809658 /nfs/dbraw/zinc/80/96/58/1285809658.db2.gz YVMLHUKAPLDXCJ-BZPMIXESSA-N -1 3 350.419 0.564 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCOC2)C1 ZINC001702831412 1285924254 /nfs/dbraw/zinc/92/42/54/1285924254.db2.gz NMHORQLFRCZQQH-MRVWCRGKSA-N -1 3 362.430 0.742 10 0 FCAEHM NC(=O)NCC(=O)N1CC[C@@]2(CNC(=O)c3ccccc3[O-])CCC[C@@H]12 ZINC001702862516 1285953809 /nfs/dbraw/zinc/95/38/09/1285953809.db2.gz HQKLAXGGCFBJCJ-RDTXWAMCSA-N -1 3 360.414 0.562 10 0 FCAEHM COCCOCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3n[n-]nc31)C2 ZINC001702914059 1285989542 /nfs/dbraw/zinc/98/95/42/1285989542.db2.gz YMEWPADHQUCTGP-UGFHNGPFSA-N -1 3 373.413 0.483 10 0 FCAEHM CCO[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc[n-]c1=O)C2)C1CC1 ZINC001702931334 1286007567 /nfs/dbraw/zinc/00/75/67/1286007567.db2.gz JJIUSMHASLIZFU-UNQGMJICSA-N -1 3 360.414 0.859 10 0 FCAEHM CC(=O)N(C)CCCC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2cn[n-]n2)C1 ZINC001703037924 1286069055 /nfs/dbraw/zinc/06/90/55/1286069055.db2.gz ZNHADJCWTQQWHZ-GUYCJALGSA-N -1 3 362.434 0.174 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@H](CC(C)C)NC(=O)[C@]12C[C@H]1COC2 ZINC001704795573 1286301612 /nfs/dbraw/zinc/30/16/12/1286301612.db2.gz GJVVEKXRHINJSB-LXIYXOSZSA-N -1 3 362.430 0.788 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)NC[C@H](NC(=O)c1cnc[n-]c1=O)C(C)C ZINC001704859377 1286311178 /nfs/dbraw/zinc/31/11/78/1286311178.db2.gz AXPWXAQMZIJJMA-XBFCOCLRSA-N -1 3 350.419 0.868 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N(C)CCN(C)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001704893650 1286319342 /nfs/dbraw/zinc/31/93/42/1286319342.db2.gz AGDVSLHUHIATCF-HIFRSBDPSA-N -1 3 362.430 0.836 10 0 FCAEHM C[C@@H]1CCCN(C(=O)[C@@H]2CCNC2=O)[C@@H]1CCCNCc1n[nH]c(=O)[n-]1 ZINC001707175393 1286489641 /nfs/dbraw/zinc/48/96/41/1286489641.db2.gz UOERCXXEPKKRLK-JHJVBQTASA-N -1 3 364.450 0.143 10 0 FCAEHM CN(CCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)Cc1cc(=O)n2[n-]ccc2n1 ZINC001707405517 1287134890 /nfs/dbraw/zinc/13/48/90/1287134890.db2.gz WAQGEUFIQBVBHC-KFWWJZLASA-N -1 3 359.430 0.528 10 0 FCAEHM COCC1(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3c(C)nc[n-]c3=O)C2)CCC1 ZINC001719196966 1287857354 /nfs/dbraw/zinc/85/73/54/1287857354.db2.gz QJZLFLCNQRNKED-DGCLKSJQSA-N -1 3 362.430 0.884 10 0 FCAEHM O=C(C[C@@H]1C[C@H]1C1CC1)NCc1nc(CNC(=O)c2cn[nH]c2)cc(=O)[n-]1 ZINC001719522913 1288166787 /nfs/dbraw/zinc/16/67/87/1288166787.db2.gz BFDCYAAVSMQCQD-FZMZJTMJSA-N -1 3 370.413 0.888 10 0 FCAEHM C[C@](CNC(=O)c1cnc[n-]c1=O)(NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C1CC1 ZINC001721539630 1288348487 /nfs/dbraw/zinc/34/84/87/1288348487.db2.gz PPXFUXFYJQEVTJ-SEDUGSJDSA-N -1 3 370.413 0.724 10 0 FCAEHM O=C(NC/C=C/CNC(=O)[C@@H]1C[C@H]1c1cccnc1)c1cnc[n-]c1=O ZINC001721877549 1288387327 /nfs/dbraw/zinc/38/73/27/1288387327.db2.gz GZDFTVMTPCCAFJ-OHVOQOPOSA-N -1 3 353.382 0.783 10 0 FCAEHM CC(C)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)NCc1nc(=O)n(C)[n-]1 ZINC001732564490 1288586223 /nfs/dbraw/zinc/58/62/23/1288586223.db2.gz ZKFJTKUEBAOYKC-RRFJBIMHSA-N -1 3 358.446 0.538 10 0 FCAEHM O=C(N[C@@H](CO)CNC(=O)[C@@H]1C[C@H]1c1cccnc1)c1ccccc1[O-] ZINC001735293035 1288723462 /nfs/dbraw/zinc/72/34/62/1288723462.db2.gz DKQAIDIFYNKYSP-VNQPRFMTSA-N -1 3 355.394 0.798 10 0 FCAEHM COCC1(CC(=O)N2C[C@@H]3CCN(C(=O)c4cnc[n-]c4=O)[C@@H]3C2)CC1 ZINC001735709990 1288785476 /nfs/dbraw/zinc/78/54/76/1288785476.db2.gz CLKINEMEJUFDTL-GXTWGEPZSA-N -1 3 360.414 0.672 10 0 FCAEHM CC[C@@H](CC(F)F)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1O ZINC001735753872 1288853802 /nfs/dbraw/zinc/85/38/02/1288853802.db2.gz XLJMELWKBDVWFM-JMJZKYOTSA-N -1 3 358.345 0.165 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)CCc2cn(C)nn2)CCN1C(=O)c1ccccc1[O-] ZINC001736277742 1289238427 /nfs/dbraw/zinc/23/84/27/1289238427.db2.gz NATXOOKLOFNKJH-DOMZBBRYSA-N -1 3 357.414 0.873 10 0 FCAEHM C[C@@H](NC(=O)C1CCCC1)C(=O)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@H]1C ZINC001736277866 1289238618 /nfs/dbraw/zinc/23/86/18/1289238618.db2.gz ADLDFDHAGFYAJM-WZRBSPASSA-N -1 3 362.434 0.219 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](CNC(=O)Cc2ccon2)[C@H](C)C1 ZINC001736356359 1289276602 /nfs/dbraw/zinc/27/66/02/1289276602.db2.gz ZSRNUUOZKXQWPL-ZYHUDNBSSA-N -1 3 359.386 0.546 10 0 FCAEHM CN(CCNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001737758036 1289584337 /nfs/dbraw/zinc/58/43/37/1289584337.db2.gz ZHTJUHUMUJGOLH-DZGCQCFKSA-N -1 3 355.394 0.805 10 0 FCAEHM O=C(CNC(=O)c1ccc([O-])cc1)NCCS(=O)(=O)C(F)(F)F ZINC001611588487 1289660272 /nfs/dbraw/zinc/66/02/72/1289660272.db2.gz SUAARQNQTFPHLL-UHFFFAOYSA-N -1 3 354.306 0.173 10 0 FCAEHM Cc1nc(C)c(CCC(=O)N2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)c(=O)[n-]1 ZINC001611640322 1289664507 /nfs/dbraw/zinc/66/45/07/1289664507.db2.gz ACEQGFMZMPDTBG-STQMWFEESA-N -1 3 353.444 0.625 10 0 FCAEHM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1cccc2n[n-]nc21 ZINC001701698800 1289685178 /nfs/dbraw/zinc/68/51/78/1289685178.db2.gz CTWWGZHIXWGNOJ-CYZMBNFOSA-N -1 3 359.430 0.847 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1nnc2ccccc2c1[O-] ZINC001738911661 1289763663 /nfs/dbraw/zinc/76/36/63/1289763663.db2.gz HXWNNJSKMLKSRS-NTZNESFSSA-N -1 3 358.398 0.588 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H]1CCO[C@H]1CNC(=O)OC(C)(C)C ZINC001615963179 1289765712 /nfs/dbraw/zinc/76/57/12/1289765712.db2.gz OYUHPIFMYBPFLJ-AGIUHOORSA-N -1 3 368.434 0.544 10 0 FCAEHM O=C(CCCC1CCCC1)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1O ZINC001702189022 1289819830 /nfs/dbraw/zinc/81/98/30/1289819830.db2.gz ZKYHRMCCHJYOQI-HUUCEWRRSA-N -1 3 362.430 0.844 10 0 FCAEHM CC[C@@H](CC(C)C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001702203537 1289860458 /nfs/dbraw/zinc/86/04/58/1289860458.db2.gz HRFVZFCZAVQAGS-BFHYXJOUSA-N -1 3 364.446 0.864 10 0 FCAEHM CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2c(C)nc(C)[n-]c2=O)C1 ZINC001702250810 1289911568 /nfs/dbraw/zinc/91/15/68/1289911568.db2.gz QBDRLSCHPYOXBP-IXPVHAAZSA-N -1 3 364.446 0.730 10 0 FCAEHM O=C(N[C@@H]1CN(C(=O)C2(CCF)CC2)C[C@H]1O)c1cccc2n[n-]nc21 ZINC001739425958 1289958520 /nfs/dbraw/zinc/95/85/20/1289958520.db2.gz ZYNVOKJGXXPSSB-CHWSQXEVSA-N -1 3 361.377 0.399 10 0 FCAEHM C[C@H](CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1)CC(C)(C)C ZINC001739434201 1289977176 /nfs/dbraw/zinc/97/71/76/1289977176.db2.gz DLZXGCIOSYTIOG-MRVWCRGKSA-N -1 3 364.446 0.946 10 0 FCAEHM O=C(CN1CC[C@@H](c2nnn[n-]2)C1)N1CCN(c2ccccc2F)CC1 ZINC001620536557 1289997260 /nfs/dbraw/zinc/99/72/60/1289997260.db2.gz YCGWDGOXGIKYIE-CYBMUJFWSA-N -1 3 359.409 0.477 10 0 FCAEHM O=C(CN1CC[C@@H](c2nn[n-]n2)C1)N1CCN(c2ccccc2F)CC1 ZINC001620536557 1289997271 /nfs/dbraw/zinc/99/72/71/1289997271.db2.gz YCGWDGOXGIKYIE-CYBMUJFWSA-N -1 3 359.409 0.477 10 0 FCAEHM COCC[C@H](C)C(=O)N1C[C@@H](NC(=O)c2c(C)nc[n-]c2=O)[C@H](OC)C1 ZINC001702334971 1290072265 /nfs/dbraw/zinc/07/22/65/1290072265.db2.gz YWZYLLQJXPXVKN-CYZMBNFOSA-N -1 3 366.418 0.119 10 0 FCAEHM O=C(CCC(F)F)N1C[C@@H](NC(=O)c2cccc3n[n-]nc32)[C@@H](O)C1 ZINC001702356836 1290122260 /nfs/dbraw/zinc/12/22/60/1290122260.db2.gz UZTGHRPVPVTQFY-MNOVXSKESA-N -1 3 353.329 0.305 10 0 FCAEHM CC/C=C(\C)C(=O)N1C[C@@H](NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)[C@@H](O)C1 ZINC001702375125 1290161015 /nfs/dbraw/zinc/16/10/15/1290161015.db2.gz ALHSHCZVSMTEAK-GAWCXUJUSA-N -1 3 371.393 0.228 10 0 FCAEHM C[C@@H](NC(=O)CC1CS(=O)(=O)C1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001623645313 1290228373 /nfs/dbraw/zinc/22/83/73/1290228373.db2.gz YQESFXNIWMTITM-NXEZZACHSA-N -1 3 355.416 0.301 10 0 FCAEHM O=C(CC1(C(=O)NCCCc2cc(=O)[nH][n-]2)CCCC1)N1CCOCC1 ZINC001625583757 1290352621 /nfs/dbraw/zinc/35/26/21/1290352621.db2.gz DYEGYIZODHMHJI-UHFFFAOYSA-N -1 3 364.446 0.568 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H](CS(C)(=O)=O)c1ccccc1 ZINC001627153025 1290441839 /nfs/dbraw/zinc/44/18/39/1290441839.db2.gz MREOVCRXQIMLPL-KBPBESRZSA-N -1 3 351.428 0.443 10 0 FCAEHM CO[C@H]1CCn2cc(C(=O)Nc3[n-]nc4cc(C)n(C)c(=O)c43)nc2C1 ZINC001627186943 1290444781 /nfs/dbraw/zinc/44/47/81/1290444781.db2.gz HYDZJIQIYLJIKN-JTQLQIEISA-N -1 3 356.386 0.980 10 0 FCAEHM CNC(=O)NCCNC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC001627217499 1290446660 /nfs/dbraw/zinc/44/66/60/1290446660.db2.gz VDFZTCQCKZLEPG-UHFFFAOYSA-N -1 3 358.402 0.118 10 0 FCAEHM C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1nc[n-]c(=O)c1Br ZINC001627306738 1290455791 /nfs/dbraw/zinc/45/57/91/1290455791.db2.gz KIEGSGLRNYJWOQ-QMMMGPOBSA-N -1 3 372.223 0.137 10 0 FCAEHM CNS(=O)(=O)c1ccc(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)cc1 ZINC001628254646 1290520219 /nfs/dbraw/zinc/52/02/19/1290520219.db2.gz AYEJFCHNPOALCA-UHFFFAOYSA-N -1 3 354.413 0.309 10 0 FCAEHM CS(=O)(=O)Nc1cccc(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)c1 ZINC001628254790 1290520376 /nfs/dbraw/zinc/52/03/76/1290520376.db2.gz FAROVOQHOWTCPC-UHFFFAOYSA-N -1 3 354.413 0.772 10 0 FCAEHM O=C(CNC(=O)c1ccc(F)c(F)c1)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001628259450 1290521506 /nfs/dbraw/zinc/52/15/06/1290521506.db2.gz XWXPXLOLCMCONZ-UHFFFAOYSA-N -1 3 354.338 0.795 10 0 FCAEHM Cc1cc(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)ccc1S(N)(=O)=O ZINC001628259479 1290521696 /nfs/dbraw/zinc/52/16/96/1290521696.db2.gz YVCZZDGEVIGXNE-UHFFFAOYSA-N -1 3 354.413 0.357 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@]1(F)CCN(C(=O)OC(C)(C)C)C1 ZINC001628270349 1290521709 /nfs/dbraw/zinc/52/17/09/1290521709.db2.gz QZPKCVIFGXWBRR-MEDUHNTESA-N -1 3 356.398 0.964 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)Cn2cnc(-c3ccccc3)cc2=O)n[n-]1 ZINC001628595878 1290542681 /nfs/dbraw/zinc/54/26/81/1290542681.db2.gz JNDBKZHXTMTPPQ-UHFFFAOYSA-N -1 3 368.353 0.383 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CC[C@@H]2[C@H](C1)C2(F)F ZINC001629032393 1290572174 /nfs/dbraw/zinc/57/21/74/1290572174.db2.gz XDKYQXLNOAAYAG-RQJHMYQMSA-N -1 3 364.146 0.825 10 0 FCAEHM Cc1cc(C(=O)N2C[C@H](C)N(CCO)C[C@@H]2C)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC001630284772 1290657063 /nfs/dbraw/zinc/65/70/63/1290657063.db2.gz VGVSJLOIPACZFM-QWRGUYRKSA-N -1 3 361.402 0.272 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(=O)n(CCO)c2)ccc1F ZINC001630752144 1290694910 /nfs/dbraw/zinc/69/49/10/1290694910.db2.gz KIRDBRCEKMVRQL-UHFFFAOYSA-N -1 3 369.374 0.140 10 0 FCAEHM O=C(CNC(=O)c1ncccc1[O-])N1CCCN(C[C@@H]2CCCO2)CC1 ZINC001631217914 1290720679 /nfs/dbraw/zinc/72/06/79/1290720679.db2.gz XYEOGFICIUJRBE-AWEZNQCLSA-N -1 3 362.430 0.230 10 0 FCAEHM O=C(CS(=O)(=O)C1CCCC1)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001644156668 1290944371 /nfs/dbraw/zinc/94/43/71/1290944371.db2.gz LDIPWPAPMKJMJO-UHFFFAOYSA-N -1 3 355.416 0.229 10 0 FCAEHM CNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)cn1 ZINC001644260539 1290950778 /nfs/dbraw/zinc/95/07/78/1290950778.db2.gz AYYFNKVDHUZZDV-SNVBAGLBSA-N -1 3 351.388 0.048 10 0 FCAEHM Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)cc1 ZINC001644260536 1290950884 /nfs/dbraw/zinc/95/08/84/1290950884.db2.gz AYXMTOYAHFWJFV-GFCCVEGCSA-N -1 3 364.427 0.718 10 0 FCAEHM Cc1cc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)ccc1S(N)(=O)=O ZINC001644261465 1290950959 /nfs/dbraw/zinc/95/09/59/1290950959.db2.gz UWKADHHGHULLIT-NSHDSACASA-N -1 3 350.400 0.701 10 0 FCAEHM O=C(NC[C@@H](O)C(F)(F)C(F)(F)F)c1ccc(-c2nnn[n-]2)cn1 ZINC001644437781 1290961001 /nfs/dbraw/zinc/96/10/01/1290961001.db2.gz JSVPQGCYXGYRLI-SSDOTTSWSA-N -1 3 352.223 0.550 10 0 FCAEHM O=C(NC[C@@H](O)C(F)(F)C(F)(F)F)c1ccc(-c2nn[n-]n2)cn1 ZINC001644437781 1290961008 /nfs/dbraw/zinc/96/10/08/1290961008.db2.gz JSVPQGCYXGYRLI-SSDOTTSWSA-N -1 3 352.223 0.550 10 0 FCAEHM O=C(Cc1ccc(O)cc1)NCC(=O)N1CCC(Cc2nnn[n-]2)CC1 ZINC001644765557 1290982161 /nfs/dbraw/zinc/98/21/61/1290982161.db2.gz RNNWGJCPPZWZES-UHFFFAOYSA-N -1 3 358.402 0.045 10 0 FCAEHM O=C(Cc1ccc(O)cc1)NCC(=O)N1CCC(Cc2nn[n-]n2)CC1 ZINC001644765557 1290982164 /nfs/dbraw/zinc/98/21/64/1290982164.db2.gz RNNWGJCPPZWZES-UHFFFAOYSA-N -1 3 358.402 0.045 10 0 FCAEHM COC(=O)c1cccc(C(=O)N2CCN(c3nc(C)cc(=O)[n-]3)CC2)n1 ZINC001644863308 1290989790 /nfs/dbraw/zinc/98/97/90/1290989790.db2.gz GQUIBZDUMDRHTL-UHFFFAOYSA-N -1 3 357.370 0.635 10 0 FCAEHM CCOC(=O)[C@H](CC(=O)N1CCN(c2nc(C)cc(=O)[n-]2)CC1)C(C)=O ZINC001645591354 1291036841 /nfs/dbraw/zinc/03/68/41/1291036841.db2.gz HYVOUMNCMFLXQG-CYBMUJFWSA-N -1 3 364.402 0.298 10 0 FCAEHM COCCN1C[C@@H](C(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)CC1=O ZINC001648505405 1291126512 /nfs/dbraw/zinc/12/65/12/1291126512.db2.gz ZLGCILZMKTXABQ-IHRRRGAJSA-N -1 3 362.430 0.820 10 0 FCAEHM COc1nscc1NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC001651230568 1291208600 /nfs/dbraw/zinc/20/86/00/1291208600.db2.gz GSTSXHALKMEHAZ-UHFFFAOYSA-N -1 3 361.177 0.815 10 0 FCAEHM CN1CCN(C(=O)[C@H](Cc2ccccc2)N=c2ncnc3[nH][n-]cc2-3)CC1 ZINC001652231364 1291268930 /nfs/dbraw/zinc/26/89/30/1291268930.db2.gz LGNFEVATFXMDCN-INIZCTEOSA-N -1 3 365.441 0.524 10 0 FCAEHM CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001653312090 1291334161 /nfs/dbraw/zinc/33/41/61/1291334161.db2.gz AWSXSVJTZCYACT-GRYCIOLGSA-N -1 3 363.418 0.790 10 0 FCAEHM O=C(CS(=O)(=O)C1CCCC1)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001653312079 1291334193 /nfs/dbraw/zinc/33/41/93/1291334193.db2.gz ATGYQFHBMKCQBM-NSHDSACASA-N -1 3 354.432 0.235 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cc2c([nH]c1=O)CCCC2=O ZINC001653310316 1291334658 /nfs/dbraw/zinc/33/46/58/1291334658.db2.gz POHMKHKNCSFCKN-SNVBAGLBSA-N -1 3 369.381 0.811 10 0 FCAEHM O=C(NN1CC(=O)[N-]C1=O)[C@H]1C[C@@H](F)CN1C(=O)OCc1ccccc1 ZINC001654197673 1291398018 /nfs/dbraw/zinc/39/80/18/1291398018.db2.gz BQDMOOJCZMEBHQ-VXGBXAGGSA-N -1 3 364.333 0.319 10 0 FCAEHM Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NCCc3c(C)[n-][nH]c3=O)c(C)c12 ZINC001654306570 1291406143 /nfs/dbraw/zinc/40/61/43/1291406143.db2.gz CBUHCQMPGFGMLF-CYBMUJFWSA-N -1 3 372.429 0.439 10 0 FCAEHM CCOC(=O)[C@H](C)C1CN(C(=O)C[N-]S(=O)(=O)c2c(C)noc2C)C1 ZINC001654801267 1291436615 /nfs/dbraw/zinc/43/66/15/1291436615.db2.gz ZVDYATLRVCGBKF-SECBINFHSA-N -1 3 373.431 0.227 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N1CCCS(=O)(=O)C[C@H]1C1CC1 ZINC001654835064 1291438935 /nfs/dbraw/zinc/43/89/35/1291438935.db2.gz HUPYOEMKHJIQTP-AWEZNQCLSA-N -1 3 353.444 0.849 10 0 FCAEHM CON(C)C(=O)CNC(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001673765042 1292123723 /nfs/dbraw/zinc/12/37/23/1292123723.db2.gz CNWARAYVPNYNTG-UHFFFAOYSA-N -1 3 362.383 0.016 10 0 FCAEHM O=C(NC[C@@H]1CCN1C1CCOCC1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001676337505 1292200506 /nfs/dbraw/zinc/20/05/06/1292200506.db2.gz FCQGVWICAPFBJO-OCCSQVGLSA-N -1 3 364.450 0.653 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N(C)[C@H](C)CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001678266215 1292256754 /nfs/dbraw/zinc/25/67/54/1292256754.db2.gz QYALVDBFIQLCFY-KEFKHEOASA-N -1 3 360.414 0.491 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NCCOCCN(C)C(=O)[C@]12C[C@H]1CCC2 ZINC001679662376 1292312934 /nfs/dbraw/zinc/31/29/34/1292312934.db2.gz MBNXKJHLPCJSNZ-FZKQIMNGSA-N -1 3 362.430 0.886 10 0 FCAEHM C[C@@H]1CCN(C(=O)c2cnc[n-]c2=O)[C@H](CNC(=O)Cc2cc[nH]n2)C1 ZINC001684733445 1292325573 /nfs/dbraw/zinc/32/55/73/1292325573.db2.gz ZIHZALLUQKNPOE-YPMHNXCESA-N -1 3 358.402 0.505 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)CCc2cnccn2)CCN1C(=O)c1cnc[n-]c1=O ZINC001685001853 1292396914 /nfs/dbraw/zinc/39/69/14/1292396914.db2.gz DRXRCWVNHKPBCW-LSDHHAIUSA-N -1 3 370.413 0.714 10 0 FCAEHM C[C@@H](CC(=O)N[C@H]1CCN(C(=O)c2cnc[n-]c2=O)[C@@H]1C)n1cccn1 ZINC001685389478 1292523562 /nfs/dbraw/zinc/52/35/62/1292523562.db2.gz CNYPDIMUMXPGFO-SCRDCRAPSA-N -1 3 358.402 0.749 10 0 FCAEHM CC(=O)N[C@H](C)C(=O)N1C[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@]2(C)C1 ZINC001685487274 1292538362 /nfs/dbraw/zinc/53/83/62/1292538362.db2.gz BLNJUFPULWTUGY-TVZGQMOCSA-N -1 3 359.426 0.837 10 0 FCAEHM COc1cccc([C@H](O)CNC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)c1 ZINC001685645301 1292580917 /nfs/dbraw/zinc/58/09/17/1292580917.db2.gz PYPAJNCXEAEZII-DZGCQCFKSA-N -1 3 373.413 0.802 10 0 FCAEHM CSCC(=O)N1C[C@@H](CNC(=O)Cc2c(C)nc(C)[n-]c2=O)[C@H](C)C1 ZINC001685674665 1292591050 /nfs/dbraw/zinc/59/10/50/1292591050.db2.gz VYJNJKZQKJHOLX-ZWNOBZJWSA-N -1 3 366.487 0.915 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CCNC(=O)c1cnn(C)c1 ZINC001685814213 1292644461 /nfs/dbraw/zinc/64/44/61/1292644461.db2.gz PGUIYGHLTGOALH-VXGBXAGGSA-N -1 3 358.402 0.444 10 0 FCAEHM CS(=O)(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccccc1[O-] ZINC001686127419 1292777969 /nfs/dbraw/zinc/77/79/69/1292777969.db2.gz VYSNKMWAZYAASC-RTXFEEFZSA-N -1 3 352.412 0.299 10 0 FCAEHM CC(=O)Nc1ccc(CNC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)cn1 ZINC001686301616 1292890295 /nfs/dbraw/zinc/89/02/95/1292890295.db2.gz LYISARSMGOVCRE-ZDUSSCGKSA-N -1 3 371.401 0.614 10 0 FCAEHM Cn1nccc1[C@H]1COCCN1C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001687789877 1293013964 /nfs/dbraw/zinc/01/39/64/1293013964.db2.gz NJXBJDOLYPSAGJ-GXTWGEPZSA-N -1 3 373.417 0.278 10 0 FCAEHM COC(=O)Nc1ccc(C(=O)O[C@@H](C)C(=O)N2CCNC2=O)cc1[O-] ZINC000745652295 836144142 /nfs/dbraw/zinc/14/41/42/836144142.db2.gz HTTLWJTUHZTSCX-QMMMGPOBSA-N -1 3 351.315 0.668 10 0 FCAEHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]CCc2nc(C)no2)c1F ZINC000749178929 836346757 /nfs/dbraw/zinc/34/67/57/836346757.db2.gz VHLACWHFPVCTEV-UHFFFAOYSA-N -1 3 361.326 0.964 10 0 FCAEHM CN(C1CCN(c2nnc(-c3nnc(Cl)[n-]3)n2C)CC1)S(C)(=O)=O ZINC001123146502 848572675 /nfs/dbraw/zinc/57/26/75/848572675.db2.gz QWJINKLPVIBMOT-UHFFFAOYSA-N -1 3 374.858 0.114 10 0 FCAEHM CN(C1CCN(c2nnc(-c3n[n-]c(Cl)n3)n2C)CC1)S(C)(=O)=O ZINC001123146502 848572677 /nfs/dbraw/zinc/57/26/77/848572677.db2.gz QWJINKLPVIBMOT-UHFFFAOYSA-N -1 3 374.858 0.114 10 0 FCAEHM COC[C@H]1CN(c2nnc(-c3nnc(Cl)[n-]3)n2CC2CC2)CCO1 ZINC001123594188 848610356 /nfs/dbraw/zinc/61/03/56/848610356.db2.gz JOYIETCTCZIBCC-SNVBAGLBSA-N -1 3 353.814 0.978 10 0 FCAEHM COC[C@H]1CN(c2nnc(-c3n[n-]c(Cl)n3)n2CC2CC2)CCO1 ZINC001123594188 848610359 /nfs/dbraw/zinc/61/03/59/848610359.db2.gz JOYIETCTCZIBCC-SNVBAGLBSA-N -1 3 353.814 0.978 10 0 FCAEHM COCCNC(=O)CNC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001135483373 849198471 /nfs/dbraw/zinc/19/84/71/849198471.db2.gz USJJBWXGYLOXQQ-UHFFFAOYSA-N -1 3 358.420 0.983 10 0 FCAEHM CCOC(=O)c1cc(NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)[n-]n1 ZINC001137978952 849293221 /nfs/dbraw/zinc/29/32/21/849293221.db2.gz SGRPXZYGFNMZRM-YPMHNXCESA-N -1 3 352.391 0.405 10 0 FCAEHM Cc1nnc(CNC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])s1 ZINC001138162042 849301384 /nfs/dbraw/zinc/30/13/84/849301384.db2.gz POZXCVGJLOSVQO-UHFFFAOYSA-N -1 3 361.358 0.964 10 0 FCAEHM Cc1nnc(CNC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)s1 ZINC001138162042 849301393 /nfs/dbraw/zinc/30/13/93/849301393.db2.gz POZXCVGJLOSVQO-UHFFFAOYSA-N -1 3 361.358 0.964 10 0 FCAEHM Cc1ccc(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)cc1S(N)(=O)=O ZINC001144519768 849525004 /nfs/dbraw/zinc/52/50/04/849525004.db2.gz TVGRLXNZINFMCO-UHFFFAOYSA-N -1 3 354.413 0.357 10 0 FCAEHM O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001144519537 849525178 /nfs/dbraw/zinc/52/51/78/849525178.db2.gz PWNUODONDZORJN-UHFFFAOYSA-N -1 3 360.317 0.968 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)CNC(=O)c2ccccc2Cl)n[n-]1 ZINC001147684205 849588701 /nfs/dbraw/zinc/58/87/01/849588701.db2.gz QXQOJMSOYGACRR-UHFFFAOYSA-N -1 3 351.750 0.542 10 0 FCAEHM CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)[N-]OCCN1CCCC1=O ZINC001149452713 849640092 /nfs/dbraw/zinc/64/00/92/849640092.db2.gz YCVXYEYIHXDUPZ-LBPRGKRZSA-N -1 3 359.423 0.586 10 0 FCAEHM COC(=O)c1ccn(CCCC(=O)NCc2cc(=O)[n-]c(=S)[nH]2)n1 ZINC001164348507 850408740 /nfs/dbraw/zinc/40/87/40/850408740.db2.gz NQCNENOOMWUIGW-UHFFFAOYSA-N -1 3 351.388 0.551 10 0 FCAEHM C[C@@H](Sc1nc(CC(=O)NCCCc2c[n-][nH]c2=O)cs1)C(N)=O ZINC001168402484 850585325 /nfs/dbraw/zinc/58/53/25/850585325.db2.gz CTOPPXBBVDBSHW-RKDXNWHRSA-N -1 3 369.472 0.280 10 0 FCAEHM C[S@@](=N)(=O)N1CCN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)CC1 ZINC001235265825 857421080 /nfs/dbraw/zinc/42/10/80/857421080.db2.gz KGSDICTYXVYPIH-QHCPKHFHSA-N -1 3 355.346 0.242 10 0 FCAEHM CCOCc1nc([C@H](C)[N-]S(=O)(=O)C[C@H](OC)[C@@H]2CCOC2)no1 ZINC001261580720 858598059 /nfs/dbraw/zinc/59/80/59/858598059.db2.gz YDIOXIVOEMBTKV-TUAOUCFPSA-N -1 3 363.436 0.638 10 0 FCAEHM O=C(N[C@@H](CO)CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)c1cn[n-]n1 ZINC001281110210 863484391 /nfs/dbraw/zinc/48/43/91/863484391.db2.gz JHJVGABKSWCEFZ-IWSPIJDZSA-N -1 3 369.834 0.530 10 0 FCAEHM COCC[C@H](C)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2cnc[n-]c2=O)C1 ZINC001282130676 864072337 /nfs/dbraw/zinc/07/23/37/864072337.db2.gz DLEIBTXVSAZMSL-RWMBFGLXSA-N -1 3 350.419 0.870 10 0 FCAEHM CO[C@H](C)CC(=O)NC[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1C ZINC001282468521 864282192 /nfs/dbraw/zinc/28/21/92/864282192.db2.gz VCIZXSBLRAOUSD-NQBHXWOUSA-N -1 3 350.419 0.740 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CN(C(=O)C[C@@H](C)C(C)C)C[C@@H]1O ZINC001289712181 865240433 /nfs/dbraw/zinc/24/04/33/865240433.db2.gz JMGIKUBAOMREFV-RTXFEEFZSA-N -1 3 350.419 0.474 10 0 FCAEHM CCC[C@H](CC)C(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@@H]1O ZINC001289718789 865245108 /nfs/dbraw/zinc/24/51/08/865245108.db2.gz SNSIFKJCHXLGHG-XQQFMLRXSA-N -1 3 350.419 0.618 10 0 FCAEHM C[C@@H](CC(=O)N(C)Cc1ncon1)[N-]S(=O)(=O)c1cccnc1Cl ZINC001295818568 865923161 /nfs/dbraw/zinc/92/31/61/865923161.db2.gz WORJRNRKLCVHIJ-VIFPVBQESA-N -1 3 373.822 0.834 10 0 FCAEHM CNC(=O)NCCNC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001299792605 866195045 /nfs/dbraw/zinc/19/50/45/866195045.db2.gz AUPNHHNTBLWXEY-UHFFFAOYSA-N -1 3 367.203 0.949 10 0 FCAEHM O=C([N-]N1C(=O)c2ccc(Br)cc2C1=O)C(=O)NC1CC1 ZINC001299970780 866200153 /nfs/dbraw/zinc/20/01/53/866200153.db2.gz DREGPGFLNGUVTG-UHFFFAOYSA-N -1 3 352.144 0.355 10 0 FCAEHM CC(C)(C)C(=O)Cn1cc(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)nn1 ZINC001300197763 866214919 /nfs/dbraw/zinc/21/49/19/866214919.db2.gz DHXNQYLHGYEQGG-UHFFFAOYSA-N -1 3 350.404 0.608 10 0 FCAEHM O=S(=O)([N-][C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1)c1cscn1 ZINC001349082556 866229258 /nfs/dbraw/zinc/22/92/58/866229258.db2.gz XONCOBWHEJUKIX-GXSJLCMTSA-N -1 3 352.459 0.158 10 0 FCAEHM Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)NCCCc1c[n-][nH]c1=O ZINC001301570132 866271887 /nfs/dbraw/zinc/27/18/87/866271887.db2.gz AIKVQVHDYMYDIW-VIFPVBQESA-N -1 3 356.379 0.023 10 0 FCAEHM Clc1nnc(-c2nnc(N3CCC4(COC4)C3)n2C[C@@H]2CCOC2)[n-]1 ZINC001349313270 866301953 /nfs/dbraw/zinc/30/19/53/866301953.db2.gz OILZJBKFZUNHFI-JTQLQIEISA-N -1 3 365.825 0.980 10 0 FCAEHM Clc1nc(-c2nnc(N3CCC4(COC4)C3)n2C[C@@H]2CCOC2)n[n-]1 ZINC001349313270 866301975 /nfs/dbraw/zinc/30/19/75/866301975.db2.gz OILZJBKFZUNHFI-JTQLQIEISA-N -1 3 365.825 0.980 10 0 FCAEHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1C[C@H](CCO)[C@H](CO)C1 ZINC001351004449 866754952 /nfs/dbraw/zinc/75/49/52/866754952.db2.gz GKYMJVOOLJIOEL-UWVGGRQHSA-N -1 3 352.337 0.869 10 0 FCAEHM CCC1(N2CCOCC2)CCN(C(=O)C(=O)NCCCC(=O)[O-])CC1 ZINC001351545248 866896984 /nfs/dbraw/zinc/89/69/84/866896984.db2.gz JQEAZADSYNCRAI-UHFFFAOYSA-N -1 3 355.435 0.071 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)c2ccc(CS(C)(=O)=O)cc2)[n-]1 ZINC001320783437 868278067 /nfs/dbraw/zinc/27/80/67/868278067.db2.gz SZGRRVYGQZGOMD-UHFFFAOYSA-N -1 3 366.399 0.456 10 0 FCAEHM COC(=O)[C@H](CF)[N-]S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC001322567669 868862987 /nfs/dbraw/zinc/86/29/87/868862987.db2.gz NXMRIWXIKDEIOL-QMMMGPOBSA-N -1 3 366.754 0.460 10 0 FCAEHM COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)C1CCN(C2CC2)CC1 ZINC001322687697 868909012 /nfs/dbraw/zinc/90/90/12/868909012.db2.gz NIKNCGCCPKQRAK-UHFFFAOYSA-N -1 3 373.456 0.609 10 0 FCAEHM COc1cc(C(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)cc(OC)c1[O-] ZINC001326383103 870286749 /nfs/dbraw/zinc/28/67/49/870286749.db2.gz QTFNJDJMLALWTM-MRXNPFEDSA-N -1 3 371.411 0.439 10 0 FCAEHM Cc1nc(C)c(CCC(=O)NCc2ncccc2S(C)(=O)=O)c(=O)[n-]1 ZINC001326602164 870404574 /nfs/dbraw/zinc/40/45/74/870404574.db2.gz CTMWYVSPJWBINY-UHFFFAOYSA-N -1 3 364.427 0.847 10 0 FCAEHM Cc1c(S(=O)(=O)N2CCc3nc[n-]c(=O)c3C2)coc1C(=O)N(C)C ZINC001326769554 870489691 /nfs/dbraw/zinc/48/96/91/870489691.db2.gz GMYSQCPKZSIJOZ-UHFFFAOYSA-N -1 3 366.399 0.532 10 0 FCAEHM CCn1nc(C)c(Cn2cc(I)c(=O)[n-]c2=O)n1 ZINC001327240195 870737346 /nfs/dbraw/zinc/73/73/46/870737346.db2.gz XMMIQPDWQMRUOA-UHFFFAOYSA-N -1 3 361.143 0.522 10 0 FCAEHM CC(C)OCC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1cnc[n-]c1=O ZINC001344468147 870896826 /nfs/dbraw/zinc/89/68/26/870896826.db2.gz NHDYBTAJORJQJN-OLZOCXBDSA-N -1 3 350.419 0.964 10 0 FCAEHM CO[C@H](C)C(=O)N[C@H]1CCN(C(=O)CCc2c(C)nc[n-]c2=O)[C@@H]1C ZINC001345258046 871252067 /nfs/dbraw/zinc/25/20/67/871252067.db2.gz IBVZFAQZYUQNNQ-BZPMIXESSA-N -1 3 350.419 0.564 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)CS(=O)(=O)N(C)C)CCN1C(=O)c1ccccc1[O-] ZINC001345544326 871403133 /nfs/dbraw/zinc/40/31/33/871403133.db2.gz RINPZUYDHCDCCT-YPMHNXCESA-N -1 3 369.443 0.003 10 0 FCAEHM CCOCCC(=O)NCC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001346380652 871807136 /nfs/dbraw/zinc/80/71/36/871807136.db2.gz MRWKJGOTNDNCJB-CHWSQXEVSA-N -1 3 350.419 0.823 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@@H]1CCO[C@@H]1c1nc(C)no1)[C@@H]1CCOC1 ZINC001329292578 871937996 /nfs/dbraw/zinc/93/79/96/871937996.db2.gz FRVFMKTWJPNQQW-LPWJVIDDSA-N -1 3 361.420 0.179 10 0 FCAEHM C[C@H]1C[C@H](NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)c2ncnn21 ZINC001329363726 871979312 /nfs/dbraw/zinc/97/93/12/871979312.db2.gz JTOLJRQROADKET-XPUUQOCRSA-N -1 3 369.179 0.125 10 0 FCAEHM COC(=O)[C@](C)(CCF)[N-]S(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001329388348 871995617 /nfs/dbraw/zinc/99/56/17/871995617.db2.gz RCTVGHLUICNFHM-PWSUYJOCSA-N -1 3 359.441 0.022 10 0 FCAEHM COC(=O)[C@@](C)(CCF)[N-]S(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001329388346 871996378 /nfs/dbraw/zinc/99/63/78/871996378.db2.gz RCTVGHLUICNFHM-CMPLNLGQSA-N -1 3 359.441 0.022 10 0 FCAEHM CCOCc1nc([C@@H](C)[N-]S(=O)(=O)CC2(OC)CCOCC2)no1 ZINC001329661163 872162529 /nfs/dbraw/zinc/16/25/29/872162529.db2.gz YZVWHABJCYRZDK-LLVKDONJSA-N -1 3 363.436 0.782 10 0 FCAEHM COC(=O)[C@@H](C[C@H]1CCCOC1)NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC001331712534 873210699 /nfs/dbraw/zinc/21/06/99/873210699.db2.gz RTHKGKUXOIBOQX-TZMCWYRMSA-N -1 3 351.403 0.816 10 0 FCAEHM Cn1cccc(C(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)c1=O ZINC001332025924 873340724 /nfs/dbraw/zinc/34/07/24/873340724.db2.gz FVOGATHNVUSKKP-UHFFFAOYSA-N -1 3 353.375 0.826 10 0 FCAEHM CCOCc1nc([C@H](C)NC(=O)C[N-]S(=O)(=O)c2cccs2)no1 ZINC000291921326 214064509 /nfs/dbraw/zinc/06/45/09/214064509.db2.gz ONNXLPGXWDYRMN-VIFPVBQESA-N -1 3 374.444 0.823 10 0 FCAEHM CC[C@H]1CCN1S(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000291979102 214069187 /nfs/dbraw/zinc/06/91/87/214069187.db2.gz RPYXFLQRLJNMEI-QFYYESIMSA-N -1 3 367.427 0.923 10 0 FCAEHM C[C@](O)(C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O)c1ccc(Cl)cc1 ZINC000294345340 214239313 /nfs/dbraw/zinc/23/93/13/214239313.db2.gz SIAKQSOWYHTRBL-HZPDHXFCSA-N -1 3 351.790 0.748 10 0 FCAEHM CCOC(=O)COCC[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000295547940 214304396 /nfs/dbraw/zinc/30/43/96/214304396.db2.gz RYJKZVIVKXPCLN-UHFFFAOYSA-N -1 3 363.388 0.541 10 0 FCAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@@H](C)Cn1cncn1 ZINC000295691960 214312455 /nfs/dbraw/zinc/31/24/55/214312455.db2.gz LTHMBIFYSSSASD-DTWKUNHWSA-N -1 3 358.342 0.470 10 0 FCAEHM O=C([N-][C@H]1CCN(c2ccccc2)C1=O)C(F)(F)C(=O)N1CCOCC1 ZINC000296420212 214348974 /nfs/dbraw/zinc/34/89/74/214348974.db2.gz VURFEZCZKLIIOS-ZDUSSCGKSA-N -1 3 367.352 0.402 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NCCc1ncccc1C ZINC000296331223 214343488 /nfs/dbraw/zinc/34/34/88/214343488.db2.gz ZNGKYOISFXTEKC-UHFFFAOYSA-N -1 3 352.416 0.632 10 0 FCAEHM CCOc1ccncc1S(=O)(=O)[N-]C1CCN(CC(=O)N(C)C)CC1 ZINC000296734066 214361630 /nfs/dbraw/zinc/36/16/30/214361630.db2.gz ODQJFLOJHNSKDN-UHFFFAOYSA-N -1 3 370.475 0.311 10 0 FCAEHM CCc1cc(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)ccc1[O-] ZINC000291403997 214031970 /nfs/dbraw/zinc/03/19/70/214031970.db2.gz FKGGMRDVWZFDRX-UHFFFAOYSA-N -1 3 361.442 0.571 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000265722507 210206361 /nfs/dbraw/zinc/20/63/61/210206361.db2.gz ZSYABOMUSFTCCS-NXEZZACHSA-N -1 3 366.486 0.060 10 0 FCAEHM CCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)CN1CC(=O)[N-]C1=O)C1CC1 ZINC000265702371 210201979 /nfs/dbraw/zinc/20/19/79/210201979.db2.gz ZEQDYNMSNDZMIL-OAHLLOKOSA-N -1 3 373.409 0.704 10 0 FCAEHM C[Si](C)(C)c1ccc(CC(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000290970234 214006782 /nfs/dbraw/zinc/00/67/82/214006782.db2.gz XIZINQUYZMWQHF-SFHVURJKSA-N -1 3 359.502 0.975 10 0 FCAEHM CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)CN1CC(=O)[N-]C1=O ZINC000265691970 210197947 /nfs/dbraw/zinc/19/79/47/210197947.db2.gz WLXQTAIAPPPXRP-INIZCTEOSA-N -1 3 356.423 0.594 10 0 FCAEHM COCCCN(C)CC[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000290886826 214000881 /nfs/dbraw/zinc/00/08/81/214000881.db2.gz ZHDBCMUILINTMQ-UHFFFAOYSA-N -1 3 362.448 0.930 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CSC[C@@H]1C(=O)Nc1cccc(F)c1 ZINC000265673065 210194576 /nfs/dbraw/zinc/19/45/76/210194576.db2.gz ROZGWHOXVSTSNT-LLVKDONJSA-N -1 3 366.374 0.218 10 0 FCAEHM CC(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)CN1CC(=O)[N-]C1=O ZINC000265434505 210134075 /nfs/dbraw/zinc/13/40/75/210134075.db2.gz HPNCRWIJQNVQTQ-UHFFFAOYSA-N -1 3 350.350 0.553 10 0 FCAEHM Cc1nn2c(nnc2SCC(=O)N2CCO[C@@H]3CCCC[C@@H]32)[n-]c1=O ZINC000265204476 210074654 /nfs/dbraw/zinc/07/46/54/210074654.db2.gz UNOOOSCWKQLKFN-WDEREUQCSA-N -1 3 364.431 0.795 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000264936686 210019735 /nfs/dbraw/zinc/01/97/35/210019735.db2.gz PFTRPQVVUCDUDJ-JTQLQIEISA-N -1 3 350.762 0.113 10 0 FCAEHM CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)CN2CC(=O)[N-]C2=O)C1 ZINC000264910190 210012429 /nfs/dbraw/zinc/01/24/29/210012429.db2.gz ZAVVEWVHPKGAHE-LLVKDONJSA-N -1 3 354.407 0.302 10 0 FCAEHM CCCCNS(=O)(=O)c1cccc(NC(=O)CN2CC(=O)[N-]C2=O)c1 ZINC000264850132 210000131 /nfs/dbraw/zinc/00/01/31/210000131.db2.gz MYXPUGFFBSNYGX-UHFFFAOYSA-N -1 3 368.415 0.255 10 0 FCAEHM CN1CCO[C@@H]2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])C[C@@H]21 ZINC000333035363 215227243 /nfs/dbraw/zinc/22/72/43/215227243.db2.gz ILFYVVLLRRAOPH-SOLBZPMBSA-N -1 3 373.453 0.928 10 0 FCAEHM CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000285729823 213384763 /nfs/dbraw/zinc/38/47/63/213384763.db2.gz DSRXWYOKWWDJKV-WDEREUQCSA-N -1 3 364.489 0.301 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O ZINC000285077809 213277657 /nfs/dbraw/zinc/27/76/57/213277657.db2.gz RVKYZCITQGXKRC-JHJVBQTASA-N -1 3 374.484 0.415 10 0 FCAEHM Cn1nccc1[C@H]1[C@H]([N-]S(=O)(=O)c2ccco2)CC(=O)N1C1CC1 ZINC000284671190 213193601 /nfs/dbraw/zinc/19/36/01/213193601.db2.gz WMZCGWCRBBTQET-IAQYHMDHSA-N -1 3 350.400 0.796 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CO)C[C@@H](O)C(C)(C)C)oc1C ZINC000284575157 213171953 /nfs/dbraw/zinc/17/19/53/213171953.db2.gz GQUZMCDQZJTDLP-ZYHUDNBSSA-N -1 3 363.432 0.811 10 0 FCAEHM C[C@@H](CC(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O)NC(=O)C1CCCCC1 ZINC000366134975 215936793 /nfs/dbraw/zinc/93/67/93/215936793.db2.gz GJEQUUILNOMKFQ-SGTLLEGYSA-N -1 3 364.446 0.662 10 0 FCAEHM COc1ccc2c(c1)[n-]cc(C(=O)N1CCC[C@H]1CS(N)(=O)=O)c2=O ZINC000412133188 237174394 /nfs/dbraw/zinc/17/43/94/237174394.db2.gz XFSHNKUWOBILTB-JTQLQIEISA-N -1 3 365.411 0.430 10 0 FCAEHM CCOC(=O)c1cn[n-]c1S(=O)(=O)N1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000366836815 216039732 /nfs/dbraw/zinc/03/97/32/216039732.db2.gz DMSLIXXOKKRNIY-RAIGVLPGSA-N -1 3 373.431 0.543 10 0 FCAEHM CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000366836815 216039734 /nfs/dbraw/zinc/03/97/34/216039734.db2.gz DMSLIXXOKKRNIY-RAIGVLPGSA-N -1 3 373.431 0.543 10 0 FCAEHM Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)CN1CC(=O)[N-]C1=O ZINC000281603765 212742671 /nfs/dbraw/zinc/74/26/71/212742671.db2.gz DNJVFPODLLAXCD-ZDUSSCGKSA-N -1 3 360.370 0.095 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000367284523 216101358 /nfs/dbraw/zinc/10/13/58/216101358.db2.gz DJVPGCLMDBVJJE-NWDGAFQWSA-N -1 3 371.484 0.544 10 0 FCAEHM CCNC(=O)c1cccc(NC(=O)CN2CCC(c3nc(=O)[n-][nH]3)CC2)c1 ZINC000281127606 212699607 /nfs/dbraw/zinc/69/96/07/212699607.db2.gz YBNASWVQTUYMQI-UHFFFAOYSA-N -1 3 372.429 0.666 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000367612091 216142974 /nfs/dbraw/zinc/14/29/74/216142974.db2.gz LAQVCSVSGMGVBB-NSHDSACASA-N -1 3 368.752 0.252 10 0 FCAEHM CCc1cc(C(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)ccc1[O-] ZINC000367823735 216167435 /nfs/dbraw/zinc/16/74/35/216167435.db2.gz PBUWLTXCGDZQIF-UHFFFAOYSA-N -1 3 355.460 0.909 10 0 FCAEHM COc1nc(NC(=O)[C@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)n[n-]1 ZINC000367905399 216176757 /nfs/dbraw/zinc/17/67/57/216176757.db2.gz QSJTVSNSMVTEGQ-SNVBAGLBSA-N -1 3 359.342 0.576 10 0 FCAEHM COc1nnc(NC(=O)[C@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)[n-]1 ZINC000367905399 216176761 /nfs/dbraw/zinc/17/67/61/216176761.db2.gz QSJTVSNSMVTEGQ-SNVBAGLBSA-N -1 3 359.342 0.576 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)n1 ZINC000367905399 216176764 /nfs/dbraw/zinc/17/67/64/216176764.db2.gz QSJTVSNSMVTEGQ-SNVBAGLBSA-N -1 3 359.342 0.576 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000368084446 216201866 /nfs/dbraw/zinc/20/18/66/216201866.db2.gz GLDPFLSWXVHCRW-RYUDHWBXSA-N -1 3 372.360 0.113 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N1CCN2CCCC[C@@H]2C1 ZINC000195087999 209332366 /nfs/dbraw/zinc/33/23/66/209332366.db2.gz SXGDCXPZCYTGGD-CQSZACIVSA-N -1 3 356.426 0.777 10 0 FCAEHM CC(C)(C)OC(=O)N1CCC2(CCN2C(=O)CN2CC(=O)[N-]C2=O)CC1 ZINC000368304225 216230070 /nfs/dbraw/zinc/23/00/70/216230070.db2.gz KWGLGMLPTVQZRL-UHFFFAOYSA-N -1 3 366.418 0.540 10 0 FCAEHM Cc1nc(NC(=O)CN2CC(=O)[N-]C2=O)ccc1I ZINC000192687543 209302940 /nfs/dbraw/zinc/30/29/40/209302940.db2.gz JXUYBFOABVPBQC-UHFFFAOYSA-N -1 3 374.138 0.485 10 0 FCAEHM O=C(Cc1cccc(N2CCCC2=O)c1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279545208 212563667 /nfs/dbraw/zinc/56/36/67/212563667.db2.gz RACJVWYKHHINLM-IBGZPJMESA-N -1 3 370.409 0.557 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000368668217 216279166 /nfs/dbraw/zinc/27/91/66/216279166.db2.gz VROGUPPJXZAEIZ-HBBFGDNQSA-N -1 3 356.419 0.723 10 0 FCAEHM Cc1nc(CN2CCCN(C(=O)C(=O)[N-]c3cnns3)CC2)cs1 ZINC000192020758 209294585 /nfs/dbraw/zinc/29/45/85/209294585.db2.gz XLEDAAFUQZYQMZ-UHFFFAOYSA-N -1 3 366.472 0.976 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCCN(C(=O)c2ccccc2F)CC1 ZINC000369233678 216367142 /nfs/dbraw/zinc/36/71/42/216367142.db2.gz XCMMFNBRXSIZEF-UHFFFAOYSA-N -1 3 362.361 0.052 10 0 FCAEHM CCn1nccc1N1CCC[C@H]([N-]S(=O)(=O)N2CCC[C@H](C)C2)C1=O ZINC000189157659 209247405 /nfs/dbraw/zinc/24/74/05/209247405.db2.gz GWXZWHWXBPZXKL-KBPBESRZSA-N -1 3 369.491 0.965 10 0 FCAEHM COC(=O)[C@@H](O)C(C)(C)[N-]S(=O)(=O)c1cc(OC)ccc1Cl ZINC000277120749 212331771 /nfs/dbraw/zinc/33/17/71/212331771.db2.gz VHAABOWCOFIKRW-LLVKDONJSA-N -1 3 351.808 0.939 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)[C@@H](O)C(=O)OC)s1 ZINC000276999043 212316698 /nfs/dbraw/zinc/31/66/98/212316698.db2.gz GHKNLKFHOGRYDI-VIFPVBQESA-N -1 3 351.402 0.126 10 0 FCAEHM COC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H](C)c2ncnn2C)s1 ZINC000276727701 212282447 /nfs/dbraw/zinc/28/24/47/212282447.db2.gz QIHNKPWXXXATRQ-SECBINFHSA-N -1 3 373.460 0.815 10 0 FCAEHM COC(=O)NCCc1ccc(S(=O)(=O)[N-]C[C@H](C)CCO)s1 ZINC000276294006 212205377 /nfs/dbraw/zinc/20/53/77/212205377.db2.gz ZFZJKXWCXXSSIQ-SNVBAGLBSA-N -1 3 350.462 0.943 10 0 FCAEHM COC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H](C)C[S@@](C)=O)s1 ZINC000276239833 212194413 /nfs/dbraw/zinc/19/44/13/212194413.db2.gz PHMKXVLCQCFMSH-AOUSDQRYSA-N -1 3 368.502 0.692 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(C[C@@H](C)O)[C@H](C)CO ZINC000276260289 212198564 /nfs/dbraw/zinc/19/85/64/212198564.db2.gz FPHIVENASYFUMR-GHMZBOCLSA-N -1 3 372.443 0.762 10 0 FCAEHM COC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H](C)c2ncn(C)n2)s1 ZINC000276248255 212195656 /nfs/dbraw/zinc/19/56/56/212195656.db2.gz QGQXGOJZBPBFNZ-VIFPVBQESA-N -1 3 373.460 0.815 10 0 FCAEHM COC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H](C)[C@H](C)CO)s1 ZINC000276198151 212183024 /nfs/dbraw/zinc/18/30/24/212183024.db2.gz IHODITHZTKSMCH-ZJUUUORDSA-N -1 3 350.462 0.942 10 0 FCAEHM CO[C@H](C)[C@H](C)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000276048452 212147039 /nfs/dbraw/zinc/14/70/39/212147039.db2.gz HEKQRIZAMZOWHM-DTWKUNHWSA-N -1 3 354.425 0.899 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(CCO)CCOC ZINC000275762952 212086364 /nfs/dbraw/zinc/08/63/64/212086364.db2.gz GMGUOERHMPSFGQ-UHFFFAOYSA-N -1 3 358.416 0.639 10 0 FCAEHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000373259846 217001957 /nfs/dbraw/zinc/00/19/57/217001957.db2.gz NHESNISRHBYERX-JTQLQIEISA-N -1 3 353.400 0.016 10 0 FCAEHM CS(=O)(=O)C1(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000373651594 217041340 /nfs/dbraw/zinc/04/13/40/217041340.db2.gz ARQCZXMNTHNEMG-ZDUSSCGKSA-N -1 3 366.439 0.690 10 0 FCAEHM Cn1cc(N2CCC[C@@H](NC(=O)c3cnc4c(cnn4C)c3[O-])C2)cn1 ZINC000182071242 209126533 /nfs/dbraw/zinc/12/65/33/209126533.db2.gz LONFJDKSKGZFSS-LLVKDONJSA-N -1 3 355.402 0.806 10 0 FCAEHM COCCN1CCCN(C(=O)c2cc(OC)c([O-])c(OC)c2)CC1=O ZINC000375514806 217278499 /nfs/dbraw/zinc/27/84/99/217278499.db2.gz OOPCCWIKDVDCEM-UHFFFAOYSA-N -1 3 352.387 0.730 10 0 FCAEHM Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCC[C@@H](C)[C@H]1C(=O)[O-] ZINC000424365112 247199530 /nfs/dbraw/zinc/19/95/30/247199530.db2.gz GIUWFHUZOMQFNZ-RISCZKNCSA-N -1 3 372.491 0.935 10 0 FCAEHM CC(C)C[C@@H](CNC(=O)C(=O)NCCCN1CCCO[C@H](C)C1)C(=O)[O-] ZINC000424503379 247243122 /nfs/dbraw/zinc/24/31/22/247243122.db2.gz PBNRPVYWGPHMBC-CABCVRRESA-N -1 3 371.478 0.467 10 0 FCAEHM COCCCS(=O)(=O)[N-]CC(=O)Nc1ccc2cc[nH]c(=O)c2c1 ZINC000425121027 247294764 /nfs/dbraw/zinc/29/47/64/247294764.db2.gz PDPVAFSVMOYOAW-UHFFFAOYSA-N -1 3 353.400 0.835 10 0 FCAEHM CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H]2O)s1 ZINC000425210371 247306456 /nfs/dbraw/zinc/30/64/56/247306456.db2.gz UGHRJRTVGZNWOT-GHMZBOCLSA-N -1 3 368.502 0.032 10 0 FCAEHM O=C(NCC1(O)CCS(=O)(=O)CC1)c1ccc2c(c1[O-])CCCC2 ZINC000436714752 248047410 /nfs/dbraw/zinc/04/74/10/248047410.db2.gz GXGMZURIQIOUPC-UHFFFAOYSA-N -1 3 353.440 0.941 10 0 FCAEHM NC(=O)c1ccn(-c2ccccc2[N-]S(=O)(=O)c2c[nH]c(=O)s2)n1 ZINC000436477795 248042882 /nfs/dbraw/zinc/04/28/82/248042882.db2.gz NHCHTNKSLLTIMM-UHFFFAOYSA-N -1 3 365.396 0.934 10 0 FCAEHM COC(=O)CN(CC(=O)OC)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436570137 248044344 /nfs/dbraw/zinc/04/43/44/248044344.db2.gz NAIVHIKXIQUTLT-UHFFFAOYSA-N -1 3 351.355 0.894 10 0 FCAEHM C[C@H]1COCCN1CCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436676363 248045212 /nfs/dbraw/zinc/04/52/12/248045212.db2.gz OSSQWCZDXPHRQY-GOEBONIOSA-N -1 3 361.442 0.834 10 0 FCAEHM CCC(=O)N1CSC[C@@H]1C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000436667740 248045487 /nfs/dbraw/zinc/04/54/87/248045487.db2.gz VEWOEWTVXQSYKF-CYBMUJFWSA-N -1 3 351.428 0.550 10 0 FCAEHM COC(=O)[C@](C)(O)CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436674708 248046112 /nfs/dbraw/zinc/04/61/12/248046112.db2.gz ISTSLSDZVBTXKD-YVEFUNNKSA-N -1 3 350.371 0.037 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]Cc1nnc(C2CC2)o1 ZINC000440086953 248155164 /nfs/dbraw/zinc/15/51/64/248155164.db2.gz APHMRPUEGIWRSO-UHFFFAOYSA-N -1 3 357.413 0.829 10 0 FCAEHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]C[C@]1(CCO)CCOC1 ZINC000442743851 248294358 /nfs/dbraw/zinc/29/43/58/248294358.db2.gz FYRVIULZDDPESB-AWEZNQCLSA-N -1 3 363.457 0.911 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cnccc1C(F)(F)F)N1CCOCC1 ZINC000442904799 248298947 /nfs/dbraw/zinc/29/89/47/248298947.db2.gz BTMVPWDPIWMJCV-UHFFFAOYSA-N -1 3 367.349 0.628 10 0 FCAEHM COC(=O)c1nscc1S(=O)(=O)[N-]CCc1c(C)nn(C)c1C ZINC000443078088 248306041 /nfs/dbraw/zinc/30/60/41/248306041.db2.gz MPWKNSZQNJYNFM-UHFFFAOYSA-N -1 3 358.445 0.801 10 0 FCAEHM Cc1ccc([C@@H](Cn2ccnc2)NC(=O)CN2CC(=O)[N-]C2=O)c(C)c1 ZINC000441857338 248263544 /nfs/dbraw/zinc/26/35/44/248263544.db2.gz VYXTWQOGJORZNC-OAHLLOKOSA-N -1 3 355.398 0.909 10 0 FCAEHM O=C(NCCOCCO)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000448369929 248444812 /nfs/dbraw/zinc/44/48/12/248444812.db2.gz CZKSLSPHQQSDJO-UHFFFAOYSA-N -1 3 374.440 0.558 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)NC[C@H]2CCCCN2CCO)c([O-])c1 ZINC000452384752 249314983 /nfs/dbraw/zinc/31/49/83/249314983.db2.gz CERAJDRIQBTYPQ-OAHLLOKOSA-N -1 3 363.458 0.784 10 0 FCAEHM CCN1C[C@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)CC1=O ZINC000452958313 249339064 /nfs/dbraw/zinc/33/90/64/249339064.db2.gz QKPZIQUHCMZOPN-WDEREUQCSA-N -1 3 357.407 0.230 10 0 FCAEHM COc1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)[n-]1 ZINC000271318997 211378689 /nfs/dbraw/zinc/37/86/89/211378689.db2.gz WUSKDBGLHWHIGF-SECBINFHSA-N -1 3 359.342 0.576 10 0 FCAEHM COc1nc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)n[n-]1 ZINC000271318997 211378695 /nfs/dbraw/zinc/37/86/95/211378695.db2.gz WUSKDBGLHWHIGF-SECBINFHSA-N -1 3 359.342 0.576 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)n1 ZINC000271318997 211378699 /nfs/dbraw/zinc/37/86/99/211378699.db2.gz WUSKDBGLHWHIGF-SECBINFHSA-N -1 3 359.342 0.576 10 0 FCAEHM NC(=O)COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCC[C@@H]1O ZINC000271116932 211338876 /nfs/dbraw/zinc/33/88/76/211338876.db2.gz OQWNPJYHAGLPRA-KOLCDFICSA-N -1 3 362.835 0.643 10 0 FCAEHM CC[C@@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000271112917 211338630 /nfs/dbraw/zinc/33/86/30/211338630.db2.gz JIRWAGHAUYDMLI-YCPHGPKFSA-N -1 3 370.413 0.669 10 0 FCAEHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O)C(=O)OC ZINC000271049970 211323472 /nfs/dbraw/zinc/32/34/72/211323472.db2.gz JJEYXAWXKGTCNT-SECBINFHSA-N -1 3 364.807 0.434 10 0 FCAEHM COC(=O)c1ccc(N2CCN(C(=O)c3cc(OC)ccc3[O-])CC2)nn1 ZINC000271026062 211319698 /nfs/dbraw/zinc/31/96/98/211319698.db2.gz OOZAJUZHXXMKGT-UHFFFAOYSA-N -1 3 372.381 0.940 10 0 FCAEHM CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000270728753 211255470 /nfs/dbraw/zinc/25/54/70/211255470.db2.gz FXDZKRCBFJHXPP-JTQLQIEISA-N -1 3 356.423 0.594 10 0 FCAEHM COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)C[C@@H]2NC(=O)[N-]C2=O)C1 ZINC000270629756 211236941 /nfs/dbraw/zinc/23/69/41/211236941.db2.gz VOMNVIVEYWJXLF-MNOVXSKESA-N -1 3 366.805 0.642 10 0 FCAEHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@]1(C(=O)OC)CCOC1 ZINC000270274648 211178430 /nfs/dbraw/zinc/17/84/30/211178430.db2.gz QYJVAMSVGNUUME-CQSZACIVSA-N -1 3 361.347 0.223 10 0 FCAEHM COC(=O)[C@H]1CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)[C@@H]1C ZINC000470066170 250023638 /nfs/dbraw/zinc/02/36/38/250023638.db2.gz MPBSUZKHPGANIE-TUAOUCFPSA-N -1 3 372.418 0.903 10 0 FCAEHM Cn1c(=O)c2cc(NC(=O)NCc3ncccc3[O-])cnc2n(C)c1=O ZINC000471185745 250092701 /nfs/dbraw/zinc/09/27/01/250092701.db2.gz KCISVJBTEOISIL-UHFFFAOYSA-N -1 3 356.342 0.055 10 0 FCAEHM COC(=O)CCCCCS(=O)(=O)[N-][C@]1(C(=O)OC)CCSC1 ZINC000471651044 250114575 /nfs/dbraw/zinc/11/45/75/250114575.db2.gz ZJXJWPIZSVHIRE-CYBMUJFWSA-N -1 3 353.462 0.688 10 0 FCAEHM O=C(NCc1ncccc1[O-])NC[C@]1(N2CCOCC2)CCSC1 ZINC000471734269 250117498 /nfs/dbraw/zinc/11/74/98/250117498.db2.gz GBBFBFJWXODSLL-MRXNPFEDSA-N -1 3 352.460 0.794 10 0 FCAEHM NC(=O)c1cncc(N2CCC([N-]S(=O)(=O)c3cccs3)CC2)n1 ZINC000471245927 250095616 /nfs/dbraw/zinc/09/56/16/250095616.db2.gz SWOQYJRQGUUUBB-UHFFFAOYSA-N -1 3 367.456 0.584 10 0 FCAEHM CO[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)C1 ZINC000472196121 250137323 /nfs/dbraw/zinc/13/73/23/250137323.db2.gz FOFPRMGFIYAZRI-RYUDHWBXSA-N -1 3 362.473 0.783 10 0 FCAEHM Cn1cnnc1-c1cccc(NC(=O)C(=O)NCc2ncccc2[O-])c1 ZINC000473047767 250194957 /nfs/dbraw/zinc/19/49/57/250194957.db2.gz JHQYQJQHSKPVAX-UHFFFAOYSA-N -1 3 352.354 0.838 10 0 FCAEHM Cn1cc(-c2ncccc2NC(=O)C(=O)NCc2ncccc2[O-])cn1 ZINC000473046176 250195336 /nfs/dbraw/zinc/19/53/36/250195336.db2.gz IXGAYBALEWKJBY-UHFFFAOYSA-N -1 3 352.354 0.838 10 0 FCAEHM CC(C)[C@H](O)CNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000269803793 211083228 /nfs/dbraw/zinc/08/32/28/211083228.db2.gz SYEVTJQSQBOVOQ-GFCCVEGCSA-N -1 3 354.425 0.492 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc(S(=O)(=O)CCO)cc2)o1 ZINC000480660585 250275382 /nfs/dbraw/zinc/27/53/82/250275382.db2.gz PUEIUZQWOPQODA-UHFFFAOYSA-N -1 3 359.425 0.833 10 0 FCAEHM CNS(=O)(=O)c1ccc(S(=O)(=O)NCc2ncccc2[O-])cc1C ZINC000480731613 250280533 /nfs/dbraw/zinc/28/05/33/250280533.db2.gz QVFJWZXPISRQRF-UHFFFAOYSA-N -1 3 371.440 0.482 10 0 FCAEHM C[C@@]1(c2cccc(NC(=O)CNC(=O)c3cccnc3)c2)NC(=O)[N-]C1=O ZINC000480790048 250284347 /nfs/dbraw/zinc/28/43/47/250284347.db2.gz WBRNSDRBYFHHPM-SFHVURJKSA-N -1 3 367.365 0.505 10 0 FCAEHM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-][C@@H](C)[C@@H](C)CO)c1 ZINC000269775948 211074619 /nfs/dbraw/zinc/07/46/19/211074619.db2.gz NVCWGAOGWWALJV-UWVGGRQHSA-N -1 3 359.400 0.555 10 0 FCAEHM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-][C@@H](C)[C@H](C)CO)c1 ZINC000269775954 211074282 /nfs/dbraw/zinc/07/42/82/211074282.db2.gz NVCWGAOGWWALJV-ZJUUUORDSA-N -1 3 359.400 0.555 10 0 FCAEHM C[C@H](CC[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)[S@](C)=O ZINC000481083394 250312503 /nfs/dbraw/zinc/31/25/03/250312503.db2.gz TVNKLSXOTXFFJS-DGIBIBHMSA-N -1 3 353.487 0.526 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-]CC[C@@H](C)O)c(C(=O)OC)s1 ZINC000269763303 211069439 /nfs/dbraw/zinc/06/94/39/211069439.db2.gz HQVWNYZUVDROAE-SSDOTTSWSA-N -1 3 351.402 0.371 10 0 FCAEHM C[C@]1(c2ccc(C(=O)NCC(=O)NC3CCCCC3)cc2)NC(=O)[N-]C1=O ZINC000481319830 250331701 /nfs/dbraw/zinc/33/17/01/250331701.db2.gz HFPVLJDXROZSRF-LJQANCHMSA-N -1 3 372.425 0.920 10 0 FCAEHM Cn1cc(C(=O)NC[C@H](CO)Cc2ccc(F)c(F)c2)c(=O)[n-]c1=O ZINC000482317942 250386203 /nfs/dbraw/zinc/38/62/03/250386203.db2.gz JQHZUXQXDICYGC-SNVBAGLBSA-N -1 3 353.325 0.345 10 0 FCAEHM CS(=O)(=O)c1cc(S(=O)(=O)[N-]C[C@H](O)C(F)(F)F)ccc1F ZINC000269661897 211036306 /nfs/dbraw/zinc/03/63/06/211036306.db2.gz BKUNQORYMWNLLV-VIFPVBQESA-N -1 3 365.326 0.431 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCC[C@@H](OCCO)C1 ZINC000269533608 211001906 /nfs/dbraw/zinc/00/19/06/211001906.db2.gz SUXMFNQEBAETEW-QWHCGFSZSA-N -1 3 374.434 0.492 10 0 FCAEHM CCOC(C[N-]S(=O)(=O)CCN1C(=O)c2ccccc2C1=O)OCC ZINC000009704641 207283245 /nfs/dbraw/zinc/28/32/45/207283245.db2.gz IZWYQRCRWBEHIU-UHFFFAOYSA-N -1 3 370.427 0.601 10 0 FCAEHM CCN(C(=O)C[N-]S(=O)(=O)c1cn(C)cn1)[C@H](C)c1cccnc1 ZINC000088680919 208119703 /nfs/dbraw/zinc/11/97/03/208119703.db2.gz CICKEEHIQMWEKR-GFCCVEGCSA-N -1 3 351.432 0.703 10 0 FCAEHM Cc1c([O-])ccc2c(CN3CC[C@H](NS(C)(=O)=O)C3)cc(=O)oc12 ZINC000116891831 208335690 /nfs/dbraw/zinc/33/56/90/208335690.db2.gz ZOFUYPHQLRCEGL-LBPRGKRZSA-N -1 3 352.412 0.931 10 0 FCAEHM CCc1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1c(C)nn(C)c1Cl)CC2 ZINC000114874376 208320653 /nfs/dbraw/zinc/32/06/53/208320653.db2.gz KRWGMSVPRCRVSA-VIFPVBQESA-N -1 3 358.855 0.829 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)n[n-]1 ZINC000119346088 208358836 /nfs/dbraw/zinc/35/88/36/208358836.db2.gz NVRMPXRJKLYQMG-PHIMTYICSA-N -1 3 356.386 0.924 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)[n-]n1 ZINC000119346088 208358844 /nfs/dbraw/zinc/35/88/44/208358844.db2.gz NVRMPXRJKLYQMG-PHIMTYICSA-N -1 3 356.386 0.924 10 0 FCAEHM CC[C@@H]1Oc2cc([C@H](C)NC(=O)CN3CC(=O)[N-]C3=O)ccc2NC1=O ZINC000266616503 210368618 /nfs/dbraw/zinc/36/86/18/210368618.db2.gz COMUGLJHOBYEAP-CABZTGNLSA-N -1 3 360.370 0.525 10 0 FCAEHM CCN(CC1CCN(c2ccccn2)CC1)C(=O)CN1CC(=O)[N-]C1=O ZINC000266419327 210336083 /nfs/dbraw/zinc/33/60/83/210336083.db2.gz PNXVSCCXPUTBQW-UHFFFAOYSA-N -1 3 359.430 0.698 10 0 FCAEHM C[C@H](CNC(=O)CN1CC(=O)[N-]C1=O)Oc1cccc(Br)c1 ZINC000266400077 210331931 /nfs/dbraw/zinc/33/19/31/210331931.db2.gz XLDJCBSMEFMCBC-SECBINFHSA-N -1 3 370.203 0.884 10 0 FCAEHM C[C@@H](CNC(=O)CN1CC(=O)[N-]C1=O)Oc1cccc(Br)c1 ZINC000266400079 210332005 /nfs/dbraw/zinc/33/20/05/210332005.db2.gz XLDJCBSMEFMCBC-VIFPVBQESA-N -1 3 370.203 0.884 10 0 FCAEHM COc1cc(C(=O)NC[C@@H]2CCCN2C)cc([N-]S(C)(=O)=O)c1OC ZINC000266304734 210318107 /nfs/dbraw/zinc/31/81/07/210318107.db2.gz MBUYOTTYULJLTL-LBPRGKRZSA-N -1 3 371.459 0.899 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000173003505 208922285 /nfs/dbraw/zinc/92/22/85/208922285.db2.gz OTEGSQPEZMELSV-KCJUWKMLSA-N -1 3 372.390 0.941 10 0 FCAEHM CS(=O)(=O)NC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000409820507 533408234 /nfs/dbraw/zinc/40/82/34/533408234.db2.gz POYGJGCDMBHDKD-BXKDBHETSA-N -1 3 351.425 0.217 10 0 FCAEHM COc1cc(Br)ccc1CNC(=O)c1[nH]c(=O)[n-]c(=O)c1N ZINC000188441553 533492106 /nfs/dbraw/zinc/49/21/06/533492106.db2.gz LSQGOASZCPUBEU-UHFFFAOYSA-N -1 3 369.175 0.347 10 0 FCAEHM C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000179718214 209085981 /nfs/dbraw/zinc/08/59/81/209085981.db2.gz STXJKRKTPXDQHU-LBPRGKRZSA-N -1 3 367.409 0.862 10 0 FCAEHM COC(=O)CCS(=O)(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000298325387 489316832 /nfs/dbraw/zinc/31/68/32/489316832.db2.gz VMIXZZLDFVMKEX-UHFFFAOYSA-N -1 3 354.381 0.502 10 0 FCAEHM CC(C)OCCS(=O)(=O)[N-]CC(=O)Nc1cc([C@@H]2CCCO2)[nH]n1 ZINC000473851196 484208526 /nfs/dbraw/zinc/20/85/26/484208526.db2.gz QLRGRTYMNPKLQJ-LBPRGKRZSA-N -1 3 360.436 0.544 10 0 FCAEHM CC(C)OCCS(=O)(=O)[N-]CC(=O)Nc1cc([C@H]2CCCO2)[nH]n1 ZINC000473851189 484208892 /nfs/dbraw/zinc/20/88/92/484208892.db2.gz QLRGRTYMNPKLQJ-GFCCVEGCSA-N -1 3 360.436 0.544 10 0 FCAEHM C[C@@H]1C[C@H](NC(=O)CN2CC(=O)[N-]C2=O)CCN1C(=O)OC(C)(C)C ZINC000278450402 488875509 /nfs/dbraw/zinc/87/55/09/488875509.db2.gz XLTNVMAPAPPZDE-GHMZBOCLSA-N -1 3 354.407 0.442 10 0 FCAEHM C[C@@H]1C[C@@H]1N1C[C@@H]([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)CC1=O ZINC000363701327 488876300 /nfs/dbraw/zinc/87/63/00/488876300.db2.gz SOAZIOZNICJUKC-WOPDTQHZSA-N -1 3 372.468 0.378 10 0 FCAEHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](CO)C[C@H](O)C(C)(C)C)s1 ZINC000287482477 488873582 /nfs/dbraw/zinc/87/35/82/488873582.db2.gz SWNCVHFRCKYDSE-UWVGGRQHSA-N -1 3 365.477 0.538 10 0 FCAEHM CCCN(C)S(=O)(=O)[N-]c1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000363793708 488885958 /nfs/dbraw/zinc/88/59/58/488885958.db2.gz RYUCQNIIDYSXGT-STQMWFEESA-N -1 3 373.479 0.517 10 0 FCAEHM CCC(=O)c1cccc(S(=O)(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000278703585 488890974 /nfs/dbraw/zinc/89/09/74/488890974.db2.gz KARQJEJYJLVRLB-MRXNPFEDSA-N -1 3 365.411 0.642 10 0 FCAEHM CC[C@@](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)(C(=O)OC)c1ccc(Cl)cc1 ZINC000287695450 488895549 /nfs/dbraw/zinc/89/55/49/488895549.db2.gz DDQBHMVXIHTECO-ZBEGNZNMSA-N -1 3 367.789 0.833 10 0 FCAEHM CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000278747943 488893786 /nfs/dbraw/zinc/89/37/86/488893786.db2.gz NFGKZUAYJHXTOP-HNNXBMFYSA-N -1 3 366.399 0.008 10 0 FCAEHM COc1ccc(S(=O)(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c(C)c1 ZINC000278774114 488894952 /nfs/dbraw/zinc/89/49/52/488894952.db2.gz PBCRSZZZSRLWIW-HNNXBMFYSA-N -1 3 353.400 0.366 10 0 FCAEHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCN(C(C)=O)C[C@@H]1C ZINC000287831946 488911212 /nfs/dbraw/zinc/91/12/12/488911212.db2.gz QBPLJIXCAIUISV-JTQLQIEISA-N -1 3 367.427 0.861 10 0 FCAEHM CCCOc1cccc(CNC(=O)CN2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000279015422 488911285 /nfs/dbraw/zinc/91/12/85/488911285.db2.gz FYUBOMBINZLCEO-IBGZPJMESA-N -1 3 374.441 0.766 10 0 FCAEHM O=C1[N-]C(=O)[C@@]2(CCCN(c3ccc4nnc(-c5ccccc5)n4n3)C2)N1 ZINC000279078394 488915402 /nfs/dbraw/zinc/91/54/02/488915402.db2.gz MJFCTVRTJVEDJV-SFHVURJKSA-N -1 3 363.381 0.970 10 0 FCAEHM Cc1ccc(NC(=O)NC(=O)CN2CCC[C@]3(C2)NC(=O)[N-]C3=O)c(C)c1 ZINC000279106887 488917578 /nfs/dbraw/zinc/91/75/78/488917578.db2.gz RTEYFYIOFWIWBD-GOSISDBHSA-N -1 3 373.413 0.626 10 0 FCAEHM C[C@H](C(=O)NC(=O)NCc1ccccc1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279118181 488917961 /nfs/dbraw/zinc/91/79/61/488917961.db2.gz UIAQMXQEEVTPNW-XIKOKIGWSA-N -1 3 373.413 0.075 10 0 FCAEHM COC(=O)c1ccc(NC(=O)CN2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000279119417 488918907 /nfs/dbraw/zinc/91/89/07/488918907.db2.gz UMUCKGDPCFTKQM-QGZVFWFLSA-N -1 3 360.370 0.086 10 0 FCAEHM COCc1ccc(CNC(=O)CN2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000279148779 488919707 /nfs/dbraw/zinc/91/97/07/488919707.db2.gz YOIQIYOKBFPPOJ-GOSISDBHSA-N -1 3 360.414 0.123 10 0 FCAEHM CN(CCCOc1ccccc1)C(=O)CN1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279148557 488920164 /nfs/dbraw/zinc/92/01/64/488920164.db2.gz YJOSCRCZWJFJHZ-LJQANCHMSA-N -1 3 374.441 0.588 10 0 FCAEHM COCc1ccc(CNC(=O)CN2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000279150203 488920713 /nfs/dbraw/zinc/92/07/13/488920713.db2.gz YOIQIYOKBFPPOJ-SFHVURJKSA-N -1 3 360.414 0.123 10 0 FCAEHM COCCC1(C(=O)N2CC[C@H](N(C)Cc3cc(=O)[n-]c(N)n3)C2)CCC1 ZINC000328654376 488926515 /nfs/dbraw/zinc/92/65/15/488926515.db2.gz XIJQFFLBVYGJHT-AWEZNQCLSA-N -1 3 363.462 1.004 10 0 FCAEHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC000279346784 488934533 /nfs/dbraw/zinc/93/45/33/488934533.db2.gz CIOYTXFFBFSRRV-HNNXBMFYSA-N -1 3 351.384 0.212 10 0 FCAEHM COc1ccc(C(=O)CCC(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000279463231 488944273 /nfs/dbraw/zinc/94/42/73/488944273.db2.gz LHTYXFBAXDMLGX-GOSISDBHSA-N -1 3 359.382 0.859 10 0 FCAEHM CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279486895 488946289 /nfs/dbraw/zinc/94/62/89/488946289.db2.gz MYYPAHKWHMXJGH-PXAZEXFGSA-N -1 3 362.386 0.235 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC000328943078 488953353 /nfs/dbraw/zinc/95/33/53/488953353.db2.gz IUBNPDDDBYKFGZ-ZWNOBZJWSA-N -1 3 353.404 0.275 10 0 FCAEHM C[C@@H]1C(=O)Nc2cc(C(=O)N3CCC[C@]4(C3)NC(=O)[N-]C4=O)ccc2N1C ZINC000279582583 488953742 /nfs/dbraw/zinc/95/37/42/488953742.db2.gz UMYNSMUUSRIFBQ-MLCYQJTMSA-N -1 3 371.397 0.278 10 0 FCAEHM CCCC[C@@H](NC(=O)NCC)C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279588119 488954186 /nfs/dbraw/zinc/95/41/86/488954186.db2.gz UWBMXJJAIBRISM-BZNIZROVSA-N -1 3 353.423 0.065 10 0 FCAEHM CCCC[C@H](NC(=O)NCC)C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279588127 488954351 /nfs/dbraw/zinc/95/43/51/488954351.db2.gz UWBMXJJAIBRISM-ZBEGNZNMSA-N -1 3 353.423 0.065 10 0 FCAEHM CCOc1ccc(C(=O)NCC(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000279631708 488958187 /nfs/dbraw/zinc/95/81/87/488958187.db2.gz YAFQYRHQZGKJSA-SFHVURJKSA-N -1 3 374.397 0.016 10 0 FCAEHM CC(=O)Nc1ccc(S(=O)(=O)[N-]CC(=O)NCc2ccco2)c(F)c1 ZINC000026763080 487685338 /nfs/dbraw/zinc/68/53/38/487685338.db2.gz FECSBBHVONPQBZ-UHFFFAOYSA-N -1 3 369.374 0.972 10 0 FCAEHM C[C@H](Cn1cccn1)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000031396623 487759101 /nfs/dbraw/zinc/75/91/01/487759101.db2.gz BURXPVZELBDUDT-NEPJUHHUSA-N -1 3 354.407 0.894 10 0 FCAEHM CC(C)NC(=O)CN1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000041821122 487842296 /nfs/dbraw/zinc/84/22/96/487842296.db2.gz QGSVRQZDQQPEPW-UHFFFAOYSA-N -1 3 356.426 0.811 10 0 FCAEHM COc1ccc(CN2CCCN(C(=O)C[C@@H]3NC(=O)[N-]C3=O)CC2)cc1 ZINC000042475985 487864628 /nfs/dbraw/zinc/86/46/28/487864628.db2.gz SICCYWOINLMXHJ-HNNXBMFYSA-N -1 3 360.414 0.328 10 0 FCAEHM CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000042812910 487878566 /nfs/dbraw/zinc/87/85/66/487878566.db2.gz YYLOEPFDLFKHPL-VIFPVBQESA-N -1 3 373.196 0.988 10 0 FCAEHM Cn1ccnc1[C@@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1ccc(Cl)cc1 ZINC000042853149 487880291 /nfs/dbraw/zinc/88/02/91/487880291.db2.gz ALYHTONOQYFERI-AAEUAGOBSA-N -1 3 361.789 0.877 10 0 FCAEHM Cn1nc(CC(=O)Nc2nc(-c3ccccn3)n[n-]2)c2ccccc2c1=O ZINC000053525095 488204118 /nfs/dbraw/zinc/20/41/18/488204118.db2.gz WWLFQZNJDSKOHE-UHFFFAOYSA-N -1 3 361.365 0.717 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1cccc(OCC(=O)N2CCCC2)c1 ZINC000057078299 488265606 /nfs/dbraw/zinc/26/56/06/488265606.db2.gz DGMQVHMZCZWEQU-ZDUSSCGKSA-N -1 3 360.370 0.224 10 0 FCAEHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NC(C)(C)C(N)=O)ccc1F ZINC000057257743 488268820 /nfs/dbraw/zinc/26/88/20/488268820.db2.gz HRPFSMWSSZOGKU-UHFFFAOYSA-N -1 3 359.423 0.896 10 0 FCAEHM O=C([O-])c1c2c(sc1S(=O)(=O)N1CCCC[C@H]1CO)CNCC2 ZINC000067881769 488357558 /nfs/dbraw/zinc/35/75/58/488357558.db2.gz ODOGYSSHSIFVDM-VIFPVBQESA-N -1 3 360.457 0.628 10 0 FCAEHM O=C(NCCS(=O)(=O)NCC1CCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000068496028 488366183 /nfs/dbraw/zinc/36/61/83/488366183.db2.gz QNLKYOZVIVIUJI-UHFFFAOYSA-N -1 3 363.439 0.977 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CCOC[C@@H]1CCOC1 ZINC000068942422 488370188 /nfs/dbraw/zinc/37/01/88/488370188.db2.gz AVPLUQJECOAMDR-GFCCVEGCSA-N -1 3 363.457 0.422 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)Nc2ccc3c(c2)CCCO3)c1 ZINC000268193258 488395358 /nfs/dbraw/zinc/39/53/58/488395358.db2.gz XPUZFJKJPOOQJR-UHFFFAOYSA-N -1 3 350.400 0.662 10 0 FCAEHM C[C@H](CNC(=O)CCn1[n-]c(=O)c2ccccc2c1=O)N1CCCCC1=O ZINC000194246904 488431647 /nfs/dbraw/zinc/43/16/47/488431647.db2.gz RVAJAALGIJRUSN-CYBMUJFWSA-N -1 3 372.425 0.597 10 0 FCAEHM COc1ccccc1[C@@H](O)CNC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000268576379 488432865 /nfs/dbraw/zinc/43/28/65/488432865.db2.gz PVIPNDXGCHMKQL-LBPRGKRZSA-N -1 3 370.452 0.885 10 0 FCAEHM CCCNC(=O)CN1CCC([N-]S(=O)(=O)c2cn(CC)cn2)CC1 ZINC000080716543 488436887 /nfs/dbraw/zinc/43/68/87/488436887.db2.gz BABKIVGFGRECKG-UHFFFAOYSA-N -1 3 357.480 0.172 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]Cc2ccc(S(N)(=O)=O)s2)c1 ZINC000092910320 488477016 /nfs/dbraw/zinc/47/70/16/488477016.db2.gz OQPFMEOLYDRDHK-UHFFFAOYSA-N -1 3 350.447 0.090 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CN3CCN2CC3)c(Cl)c1 ZINC000269484109 488508096 /nfs/dbraw/zinc/50/80/96/488508096.db2.gz MHWOCDSQKIQMCE-LBPRGKRZSA-N -1 3 373.862 0.405 10 0 FCAEHM O=C(CNC(=O)NCc1ccco1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000110787099 488526907 /nfs/dbraw/zinc/52/69/07/488526907.db2.gz LVZPCFSQMILYRG-UHFFFAOYSA-N -1 3 355.358 0.575 10 0 FCAEHM O=C(CNC(=O)NCc1ccco1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000110787099 488526909 /nfs/dbraw/zinc/52/69/09/488526909.db2.gz LVZPCFSQMILYRG-UHFFFAOYSA-N -1 3 355.358 0.575 10 0 FCAEHM CCCc1cc(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)n[nH]1 ZINC000110848389 488527077 /nfs/dbraw/zinc/52/70/77/488527077.db2.gz BBALSQOBMNMUKW-UHFFFAOYSA-N -1 3 356.180 0.613 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@@H](CO)c1ccc(Br)cc1 ZINC000271570268 488527090 /nfs/dbraw/zinc/52/70/90/488527090.db2.gz ONHKGQDTDKKEKP-UWVGGRQHSA-N -1 3 356.176 0.197 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)N[C@H]1CCc2ncnn2C1 ZINC000112663671 488535411 /nfs/dbraw/zinc/53/54/11/488535411.db2.gz CYKBHRBKONQUDL-JTQLQIEISA-N -1 3 355.445 0.139 10 0 FCAEHM CCc1nc2n(n1)C[C@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)CC2 ZINC000114864313 488542390 /nfs/dbraw/zinc/54/23/90/488542390.db2.gz MYMJJEGLDNFRFT-SNVBAGLBSA-N -1 3 369.472 0.312 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)[C@H]2CCCCN2S(C)(=O)=O)n[n-]1 ZINC000119649877 488558136 /nfs/dbraw/zinc/55/81/36/488558136.db2.gz UICDADRTQQUBRQ-LLVKDONJSA-N -1 3 352.420 0.563 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)[C@H]2CCCCN2S(C)(=O)=O)[n-]n1 ZINC000119649877 488558138 /nfs/dbraw/zinc/55/81/38/488558138.db2.gz UICDADRTQQUBRQ-LLVKDONJSA-N -1 3 352.420 0.563 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-][C@H](C)Cn2ncc3ccccc3c2=O)cn1C ZINC000120987624 488564182 /nfs/dbraw/zinc/56/41/82/488564182.db2.gz JSYXPGHZJSPBQC-LLVKDONJSA-N -1 3 361.427 0.805 10 0 FCAEHM COC[C@](C)(CCO)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000272442343 488581389 /nfs/dbraw/zinc/58/13/89/488581389.db2.gz ILUMGSBTZIEJDO-NHYWBVRUSA-N -1 3 362.423 0.396 10 0 FCAEHM COc1nnc(NC(=O)c2ccc(S(=O)(=O)NCC(C)C)cc2)[n-]1 ZINC000272586091 488590355 /nfs/dbraw/zinc/59/03/55/488590355.db2.gz WSRIGAIJEHADGI-UHFFFAOYSA-N -1 3 353.404 1.000 10 0 FCAEHM COc1nc(NC(=O)c2ccc(S(=O)(=O)NCC(C)C)cc2)n[n-]1 ZINC000272586091 488590357 /nfs/dbraw/zinc/59/03/57/488590357.db2.gz WSRIGAIJEHADGI-UHFFFAOYSA-N -1 3 353.404 1.000 10 0 FCAEHM COc1n[n-]c(NC(=O)c2ccc(S(=O)(=O)NCC(C)C)cc2)n1 ZINC000272586091 488590359 /nfs/dbraw/zinc/59/03/59/488590359.db2.gz WSRIGAIJEHADGI-UHFFFAOYSA-N -1 3 353.404 1.000 10 0 FCAEHM C[C@H](CN(C)C(=O)CN1CCN(Cc2ccccc2)CC1)c1nn[n-]n1 ZINC000124298895 488591239 /nfs/dbraw/zinc/59/12/39/488591239.db2.gz NQGCIMXIOKCXGA-OAHLLOKOSA-N -1 3 357.462 0.579 10 0 FCAEHM COc1nnc(NC(=O)[C@H]2CC(=O)N(c3cc(OC)cc(OC)c3)C2)[n-]1 ZINC000272610948 488592099 /nfs/dbraw/zinc/59/20/99/488592099.db2.gz ZXJSOERRCRYTEX-VIFPVBQESA-N -1 3 361.358 0.822 10 0 FCAEHM COc1nc(NC(=O)[C@H]2CC(=O)N(c3cc(OC)cc(OC)c3)C2)n[n-]1 ZINC000272610948 488592101 /nfs/dbraw/zinc/59/21/01/488592101.db2.gz ZXJSOERRCRYTEX-VIFPVBQESA-N -1 3 361.358 0.822 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@H]2CC(=O)N(c3cc(OC)cc(OC)c3)C2)n1 ZINC000272610948 488592103 /nfs/dbraw/zinc/59/21/03/488592103.db2.gz ZXJSOERRCRYTEX-VIFPVBQESA-N -1 3 361.358 0.822 10 0 FCAEHM CCc1ccc(CN2CCN(C(=O)CN3CC(=O)[N-]C3=O)CC2)s1 ZINC000128620749 488625988 /nfs/dbraw/zinc/62/59/88/488625988.db2.gz PXMXYXDLNDIEFQ-UHFFFAOYSA-N -1 3 350.444 0.507 10 0 FCAEHM COCCn1ccc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)n1 ZINC000263818183 488629165 /nfs/dbraw/zinc/62/91/65/488629165.db2.gz PXZPNEPORGZOON-NSHDSACASA-N -1 3 370.406 0.974 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000273143714 488634259 /nfs/dbraw/zinc/63/42/59/488634259.db2.gz YWRXBOSMZDLCNJ-UHFFFAOYSA-N -1 3 361.333 0.476 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCCN1CCOC1=O ZINC000264076399 488646931 /nfs/dbraw/zinc/64/69/31/488646931.db2.gz UTKQEPNNHSOOKI-SNVBAGLBSA-N -1 3 361.445 0.373 10 0 FCAEHM O=C(N[C@H]1CCCN(c2ncccn2)C1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000264133318 488649907 /nfs/dbraw/zinc/64/99/07/488649907.db2.gz UTCQUSBLDBVXDJ-LBPRGKRZSA-N -1 3 351.366 0.759 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1ccc(CN2C(=O)CCCC2=O)cc1 ZINC000273744313 488669416 /nfs/dbraw/zinc/66/94/16/488669416.db2.gz RCRLWIYAJSQJRJ-UHFFFAOYSA-N -1 3 358.354 0.216 10 0 FCAEHM COC(=O)[C@H](CF)NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000554660105 491216357 /nfs/dbraw/zinc/21/63/57/491216357.db2.gz DDEGLFRXKRZRRX-LURJTMIESA-N -1 3 358.800 0.307 10 0 FCAEHM Cc1nc(CNC(=O)CC[N-]S(=O)(=O)c2ccc(F)c(F)c2)no1 ZINC000134990981 488670708 /nfs/dbraw/zinc/67/07/08/488670708.db2.gz YIQNJRQPUAXHAJ-UHFFFAOYSA-N -1 3 360.342 0.641 10 0 FCAEHM CSCC[C@H](NC(=O)CN1CC(=O)[N-]C1=O)c1nnc2ccccn21 ZINC000264589341 488688240 /nfs/dbraw/zinc/68/82/40/488688240.db2.gz AGJCWAUDZHVLSM-JTQLQIEISA-N -1 3 362.415 0.192 10 0 FCAEHM COC(=O)CN(CCN1CCOCC1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000264693824 488699262 /nfs/dbraw/zinc/69/92/62/488699262.db2.gz ASUIYCCLNKTNPB-UHFFFAOYSA-N -1 3 373.409 0.888 10 0 FCAEHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000274374442 488702206 /nfs/dbraw/zinc/70/22/06/488702206.db2.gz BZCGQBIRPPKFJE-INIZCTEOSA-N -1 3 368.411 0.881 10 0 FCAEHM C[C@@H](Sc1nnnn1C1CC1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000264793268 488712406 /nfs/dbraw/zinc/71/24/06/488712406.db2.gz SBSGUZFUXDVZJA-SECBINFHSA-N -1 3 371.430 0.985 10 0 FCAEHM C[C@@H](Sc1nnnn1C1CC1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000264793268 488712408 /nfs/dbraw/zinc/71/24/08/488712408.db2.gz SBSGUZFUXDVZJA-SECBINFHSA-N -1 3 371.430 0.985 10 0 FCAEHM CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000152076701 488712953 /nfs/dbraw/zinc/71/29/53/488712953.db2.gz QHCOOAIKITYSOD-HNNXBMFYSA-N -1 3 369.425 0.302 10 0 FCAEHM CN(CCOc1ccc(Br)cc1)C(=O)CN1CC(=O)[N-]C1=O ZINC000264835999 488717489 /nfs/dbraw/zinc/71/74/89/488717489.db2.gz KAZHDLFKPZNYCF-UHFFFAOYSA-N -1 3 370.203 0.838 10 0 FCAEHM C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)CC1 ZINC000152416421 488717703 /nfs/dbraw/zinc/71/77/03/488717703.db2.gz DMBYBNQVPKWBMD-YGRLFVJLSA-N -1 3 366.368 0.768 10 0 FCAEHM O=C(NC[C@H](O)C(F)(F)F)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000274852527 488738105 /nfs/dbraw/zinc/73/81/05/488738105.db2.gz GGFHORCILHAILE-UWVGGRQHSA-N -1 3 360.292 0.482 10 0 FCAEHM O=C(C1CC2(C1)NC(=O)[N-]C2=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000154588358 488745427 /nfs/dbraw/zinc/74/54/27/488745427.db2.gz UIQAOOZXVPAEFU-UHFFFAOYSA-N -1 3 362.817 0.977 10 0 FCAEHM CNC(=O)[C@@H](C[N-]S(=O)(=O)c1cn(C)cn1)Cc1ccc(F)cc1C ZINC000570158382 491220495 /nfs/dbraw/zinc/22/04/95/491220495.db2.gz QWLTXMCGEHZQOZ-CYBMUJFWSA-N -1 3 368.434 0.751 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)NC[C@H](O)C(F)(F)F ZINC000267077736 488759414 /nfs/dbraw/zinc/75/94/14/488759414.db2.gz JNDCCPSOYYPXGB-NSHDSACASA-N -1 3 357.288 0.710 10 0 FCAEHM CC(C)C[C@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)C(=O)NCCN(C)C ZINC000156129711 488762604 /nfs/dbraw/zinc/76/26/04/488762604.db2.gz ZIUDXOJUMNJTJH-HNNXBMFYSA-N -1 3 373.457 0.745 10 0 FCAEHM C[C@H]1COCC[C@@H]1NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000278032577 488797036 /nfs/dbraw/zinc/79/70/36/488797036.db2.gz XCGAFJIPGPGPTR-CABZTGNLSA-N -1 3 366.436 0.901 10 0 FCAEHM Cc1n[nH]c(C)c1[N-]S(=O)(=O)CCCS(=O)(=O)N(C)C1CCC1 ZINC000349526837 489308681 /nfs/dbraw/zinc/30/86/81/489308681.db2.gz QFLQBXHILNCJTQ-UHFFFAOYSA-N -1 3 364.493 0.972 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N(C)Cc1cnccn1 ZINC000172164470 488830819 /nfs/dbraw/zinc/83/08/19/488830819.db2.gz STCAGPKOAYSGSJ-NSHDSACASA-N -1 3 352.391 0.941 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000172355435 488833313 /nfs/dbraw/zinc/83/33/13/488833313.db2.gz KPXDMVVHXIFZCK-MPYYAJLASA-N -1 3 357.410 0.699 10 0 FCAEHM Cc1ccc2c(c1C)OC[C@H]2NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000268105724 488840126 /nfs/dbraw/zinc/84/01/26/488840126.db2.gz LJHPTSOAYHTJLN-CYBMUJFWSA-N -1 3 364.427 0.565 10 0 FCAEHM COC[C@@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)c1ccccc1 ZINC000268125093 488841043 /nfs/dbraw/zinc/84/10/43/488841043.db2.gz OEWJIWVYKCOSPN-CYBMUJFWSA-N -1 3 352.416 0.202 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](c3cnn(C)c3)C2)c(C)o1 ZINC000176091657 488857378 /nfs/dbraw/zinc/85/73/78/488857378.db2.gz TYQKVKVGOYLOSM-NSHDSACASA-N -1 3 352.416 0.859 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CC[C@@](C)(C(N)=O)C1 ZINC000279958078 488977274 /nfs/dbraw/zinc/97/72/74/488977274.db2.gz GZZMJRDUZXPRQM-ZUZCIYMTSA-N -1 3 357.407 0.216 10 0 FCAEHM O=C(NCCc1nc(=O)o[n-]1)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000280064350 488983144 /nfs/dbraw/zinc/98/31/44/488983144.db2.gz IVKBUUIJRJRLKP-UHFFFAOYSA-N -1 3 360.414 0.540 10 0 FCAEHM CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000329312498 488992991 /nfs/dbraw/zinc/99/29/91/488992991.db2.gz AOBUEUKJKIQZKA-GARJFASQSA-N -1 3 354.432 0.537 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@]3(CCOC3)OC(C)(C)C2)cn1 ZINC000280423913 489006575 /nfs/dbraw/zinc/00/65/75/489006575.db2.gz GKOGBLGQLJDFDM-MRXNPFEDSA-N -1 3 369.443 0.400 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@]3(CCOC3)OC(C)(C)C2)cn1 ZINC000280423907 489006799 /nfs/dbraw/zinc/00/67/99/489006799.db2.gz GKOGBLGQLJDFDM-INIZCTEOSA-N -1 3 369.443 0.400 10 0 FCAEHM O=C(CN1CCC(c2nc(=O)[n-][nH]2)CC1)NC(=O)NCc1cccs1 ZINC000280715991 489026522 /nfs/dbraw/zinc/02/65/22/489026522.db2.gz BSHFTEMJCXBRJD-UHFFFAOYSA-N -1 3 364.431 0.365 10 0 FCAEHM COC(=O)c1cc(C(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)no1 ZINC000280793665 489031341 /nfs/dbraw/zinc/03/13/41/489031341.db2.gz OPOLIFXGDDUMDR-UHFFFAOYSA-N -1 3 359.338 0.765 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@H](C)CN1CCCC1=O ZINC000289303629 489057148 /nfs/dbraw/zinc/05/71/48/489057148.db2.gz IWUHFPIROVJSCM-SECBINFHSA-N -1 3 358.416 0.972 10 0 FCAEHM CNC(=O)c1cccc(NC(=O)[C@H](C)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000289428793 489066897 /nfs/dbraw/zinc/06/68/97/489066897.db2.gz NJQVHKMGHKGASL-WCQYABFASA-N -1 3 372.429 0.664 10 0 FCAEHM O=C(C1CCCC1)N1CSC[C@H]1C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000330129371 489071563 /nfs/dbraw/zinc/07/15/63/489071563.db2.gz JYCAXKCTUNIWDG-RYUDHWBXSA-N -1 3 366.443 0.681 10 0 FCAEHM CN(C)[C@@H](CNC(=O)CN1CCC[C@@H](c2nc(=O)[n-][nH]2)C1)c1ccccc1 ZINC000289503024 489071799 /nfs/dbraw/zinc/07/17/99/489071799.db2.gz UJCYQHGVGPLDMT-CVEARBPZSA-N -1 3 372.473 0.697 10 0 FCAEHM COc1ccccc1CCNC(=O)CN1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000365508545 489081970 /nfs/dbraw/zinc/08/19/70/489081970.db2.gz BLACPFPMRZMIGF-GOSISDBHSA-N -1 3 360.414 0.028 10 0 FCAEHM CC(C)c1nnc(NC(=O)CN2CCC[C@]3(C2)NC(=O)[N-]C3=O)s1 ZINC000365529512 489085068 /nfs/dbraw/zinc/08/50/68/489085068.db2.gz PZTSYRVWYQBPLU-CQSZACIVSA-N -1 3 352.420 0.274 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)N1CC[C@]2(CNC(=O)C2)C1 ZINC000365562040 489087706 /nfs/dbraw/zinc/08/77/06/489087706.db2.gz CCIAODZGUCNRKN-INIZCTEOSA-N -1 3 369.418 0.233 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]CC(=O)NCC(F)F ZINC000289759440 489091405 /nfs/dbraw/zinc/09/14/05/489091405.db2.gz GYOJRKJOAYMVDM-UHFFFAOYSA-N -1 3 354.331 0.343 10 0 FCAEHM COc1cc2c(cc1S(=O)(=O)[N-]C[C@H](O)C(F)(F)F)OCC(=O)N2 ZINC000281668306 489095723 /nfs/dbraw/zinc/09/57/23/489095723.db2.gz NWWWYJBTXGQZHK-JTQLQIEISA-N -1 3 370.305 0.228 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)NCCF ZINC000290019335 489108398 /nfs/dbraw/zinc/10/83/98/489108398.db2.gz YBSGGZFQLPHAHL-SSDOTTSWSA-N -1 3 350.368 0.436 10 0 FCAEHM CC(C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)CCCO)cc1F ZINC000281836471 489109920 /nfs/dbraw/zinc/10/99/20/489109920.db2.gz FLNSDFBJVKZNPR-UHFFFAOYSA-N -1 3 368.452 0.979 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)CN2CCc3ccccc3C2=O)n[n-]1 ZINC000365759261 489110161 /nfs/dbraw/zinc/11/01/61/489110161.db2.gz GXAHJYNWVVURCQ-UHFFFAOYSA-N -1 3 350.382 1.447 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)CN2CCc3ccccc3C2=O)[n-]n1 ZINC000365759261 489110163 /nfs/dbraw/zinc/11/01/63/489110163.db2.gz GXAHJYNWVVURCQ-UHFFFAOYSA-N -1 3 350.382 1.447 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NCc1ccc(CO)c(F)c1 ZINC000290104362 489114504 /nfs/dbraw/zinc/11/45/04/489114504.db2.gz XYURZCIJOBUAEU-UHFFFAOYSA-N -1 3 371.390 0.518 10 0 FCAEHM CNC(=O)[C@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000330599040 489121781 /nfs/dbraw/zinc/12/17/81/489121781.db2.gz FXUYFZGNEWMJCL-MRVPVSSYSA-N -1 3 365.864 0.417 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000563274172 491235030 /nfs/dbraw/zinc/23/50/30/491235030.db2.gz CEPNCPIFUGDSQP-VROVMSAKSA-N -1 3 365.864 0.624 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCOC[C@@]12CCOC2 ZINC000282050305 489128242 /nfs/dbraw/zinc/12/82/42/489128242.db2.gz CECOYSCCJKDYQC-LRDDRELGSA-N -1 3 372.418 0.510 10 0 FCAEHM CC(C)(C)OC(=O)NC[C@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)C(C)(C)C ZINC000282108771 489135174 /nfs/dbraw/zinc/13/51/74/489135174.db2.gz WTODIMJUZYSYOV-UWVGGRQHSA-N -1 3 356.423 0.640 10 0 FCAEHM CC(C)CN(CC(F)(F)F)C(=O)CN1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000330704912 489135335 /nfs/dbraw/zinc/13/53/35/489135335.db2.gz KGUOWNGFSFSSJN-JTQLQIEISA-N -1 3 350.341 0.269 10 0 FCAEHM C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000366080801 489142339 /nfs/dbraw/zinc/14/23/39/489142339.db2.gz AZGGTMLBGYZGTF-GTNSWQLSSA-N -1 3 368.434 0.690 10 0 FCAEHM CC(C)Oc1ccc([C@H](CNC(=O)C[C@@H]2NC(=O)[N-]C2=O)N(C)C)cc1 ZINC000290466136 489142543 /nfs/dbraw/zinc/14/25/43/489142543.db2.gz LPHRMXDZXULBGA-GJZGRUSLSA-N -1 3 362.430 0.791 10 0 FCAEHM C[C@H](C(=O)NC(=O)NC1CCCCC1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000366121865 489147854 /nfs/dbraw/zinc/14/78/54/489147854.db2.gz HHMKCDULTKFFDW-DIFFPNOSSA-N -1 3 365.434 0.207 10 0 FCAEHM COC(=O)CCS(=O)(=O)[N-]c1ccc(C(=O)N2CCOCC2)cc1C ZINC000290572774 489150432 /nfs/dbraw/zinc/15/04/32/489150432.db2.gz UKZNBOYQKXVSKQ-UHFFFAOYSA-N -1 3 370.427 0.772 10 0 FCAEHM CNS(=O)(=O)c1cccc([N-]S(=O)(=O)CCC(=O)OC)c1C ZINC000290574212 489150813 /nfs/dbraw/zinc/15/08/13/489150813.db2.gz URYQQMWGVHHKNW-UHFFFAOYSA-N -1 3 350.418 0.208 10 0 FCAEHM C[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000282307539 489153013 /nfs/dbraw/zinc/15/30/13/489153013.db2.gz ROADZQYDPQANGS-JSGCOSHPSA-N -1 3 360.414 0.527 10 0 FCAEHM O=C(c1cnc(-c2ccccc2)nc1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000366175799 489155536 /nfs/dbraw/zinc/15/55/36/489155536.db2.gz ZWANYOGQTXXDRE-SFHVURJKSA-N -1 3 351.366 0.958 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-]C[C@](C)(O)C(=O)OC(C)(C)C)C[C@H](C)O1 ZINC000330919690 489157749 /nfs/dbraw/zinc/15/77/49/489157749.db2.gz OMPKAPCVYVOUQT-WDMOLILDSA-N -1 3 352.453 0.023 10 0 FCAEHM CCNC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)C1 ZINC000290754388 489162983 /nfs/dbraw/zinc/16/29/83/489162983.db2.gz MYHTUYXNFKWBLS-LLVKDONJSA-N -1 3 373.431 0.765 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]CCN1C(=O)CCC1=O ZINC000290871428 489170429 /nfs/dbraw/zinc/17/04/29/489170429.db2.gz YBIDSTSNFYYBDB-UHFFFAOYSA-N -1 3 358.372 0.110 10 0 FCAEHM CC[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]C)nc2)C[C@]2(CCOC2)O1 ZINC000366520515 489191468 /nfs/dbraw/zinc/19/14/68/489191468.db2.gz PPOGLECJWQZEHC-CJNGLKHVSA-N -1 3 369.443 0.400 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@]1(O)CCSC1 ZINC000331272953 489192397 /nfs/dbraw/zinc/19/23/97/489192397.db2.gz CLTAXFDEMLNLKN-GFCCVEGCSA-N -1 3 351.471 0.236 10 0 FCAEHM COc1cnccc1[C@@H](C)NC(=O)C[N-]S(=O)(=O)c1c(C)noc1C ZINC000555090308 491238308 /nfs/dbraw/zinc/23/83/08/491238308.db2.gz SWSVJHWWDSFYEA-SECBINFHSA-N -1 3 368.415 0.851 10 0 FCAEHM O=C(Cc1ccc(-n2cnnn2)cc1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282857479 489195088 /nfs/dbraw/zinc/19/50/88/489195088.db2.gz HBUCRNWLHHQYEZ-GFCCVEGCSA-N -1 3 354.374 0.022 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000282911324 489198459 /nfs/dbraw/zinc/19/84/59/489198459.db2.gz XTHMPULIJJIPDA-SNVBAGLBSA-N -1 3 368.187 0.941 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)[C@@H](C)CO)c(OC)c1 ZINC000283058498 489210950 /nfs/dbraw/zinc/21/09/50/489210950.db2.gz IDODNCAILTVQML-JTQLQIEISA-N -1 3 366.461 0.458 10 0 FCAEHM O=c1[nH]cc(S(=O)(=O)[N-]C[C@]2(N3CCOCC3)CCSC2)s1 ZINC000631785183 492851761 /nfs/dbraw/zinc/85/17/61/492851761.db2.gz COZRYARXCYQVPU-GFCCVEGCSA-N -1 3 365.502 0.335 10 0 FCAEHM O=C(NC1CC1)c1nn[n-]c1NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000297743911 489233985 /nfs/dbraw/zinc/23/39/85/489233985.db2.gz NNJSFXPSWNFBRP-GFCCVEGCSA-N -1 3 368.397 0.684 10 0 FCAEHM O=C(NC1CC1)c1[n-]nnc1NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000297743911 489233989 /nfs/dbraw/zinc/23/39/89/489233989.db2.gz NNJSFXPSWNFBRP-GFCCVEGCSA-N -1 3 368.397 0.684 10 0 FCAEHM O=C(NC1CC1)c1n[n-]nc1NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000297743911 489233991 /nfs/dbraw/zinc/23/39/91/489233991.db2.gz NNJSFXPSWNFBRP-GFCCVEGCSA-N -1 3 368.397 0.684 10 0 FCAEHM CN(C)c1nc(C(=O)NCc2ccc(N3CCOCC3)nc2)cc(=O)[n-]1 ZINC000555192046 491241044 /nfs/dbraw/zinc/24/10/44/491241044.db2.gz BBOZPQYHODLWJZ-UHFFFAOYSA-N -1 3 358.402 0.410 10 0 FCAEHM COC(=O)C1([N-]S(=O)(=O)C2CN(C(=O)c3ccccc3)C2)CCC1 ZINC000369442155 489237556 /nfs/dbraw/zinc/23/75/56/489237556.db2.gz KPRXIIONVGOMOI-UHFFFAOYSA-N -1 3 352.412 0.526 10 0 FCAEHM O=C(Cn1cc(Br)cn1)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000297818946 489246263 /nfs/dbraw/zinc/24/62/63/489246263.db2.gz UPONJMLBFAUROJ-UHFFFAOYSA-N -1 3 354.168 0.295 10 0 FCAEHM O=C(Cn1cc(Br)cn1)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000297818946 489246265 /nfs/dbraw/zinc/24/62/65/489246265.db2.gz UPONJMLBFAUROJ-UHFFFAOYSA-N -1 3 354.168 0.295 10 0 FCAEHM O=C(Cn1cc(Br)cn1)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000297818946 489246267 /nfs/dbraw/zinc/24/62/67/489246267.db2.gz UPONJMLBFAUROJ-UHFFFAOYSA-N -1 3 354.168 0.295 10 0 FCAEHM COC(=O)CCN(C[C@H]1CCCO1)C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000555253354 491242866 /nfs/dbraw/zinc/24/28/66/491242866.db2.gz AQDCQUCAAXQYAG-LLVKDONJSA-N -1 3 352.391 0.433 10 0 FCAEHM CC(C)(C)OC(=O)N1CC(C(=O)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)C1 ZINC000283522033 489269569 /nfs/dbraw/zinc/26/95/69/489269569.db2.gz KPNIOWMIGXUOQK-SNVBAGLBSA-N -1 3 351.407 0.671 10 0 FCAEHM O=C(CNC(=O)c1cccc([O-])c1)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000283548060 489273481 /nfs/dbraw/zinc/27/34/81/489273481.db2.gz HOIGNQCREOIHLY-YOEHRIQHSA-N -1 3 362.426 0.806 10 0 FCAEHM O=S(=O)(CCCS(=O)(=O)N1CC[C@H]1C1CC1)[N-]c1ccnnc1 ZINC000349470428 489293045 /nfs/dbraw/zinc/29/30/45/489293045.db2.gz SICFCLGWPJPDMN-ZDUSSCGKSA-N -1 3 360.461 0.423 10 0 FCAEHM Cc1ncc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@@H](C)[C@@H]2C)cn1 ZINC000349480374 489296149 /nfs/dbraw/zinc/29/61/49/489296149.db2.gz NBKKGOYAILXFGK-MNOVXSKESA-N -1 3 362.477 0.587 10 0 FCAEHM O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000283724265 489296451 /nfs/dbraw/zinc/29/64/51/489296451.db2.gz NNWJLLVBXXBPPW-GFCCVEGCSA-N -1 3 370.413 0.997 10 0 FCAEHM Cc1n[nH]c(C)c1[N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C1CC1 ZINC000349551473 489313767 /nfs/dbraw/zinc/31/37/67/489313767.db2.gz KOJQULARUIVZEI-VIFPVBQESA-N -1 3 364.493 0.876 10 0 FCAEHM COc1cc(C(=O)N2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc(OC)c1[O-] ZINC000285853236 489327151 /nfs/dbraw/zinc/32/71/51/489327151.db2.gz CEQJRXQHRQOHFW-GFCCVEGCSA-N -1 3 372.443 0.905 10 0 FCAEHM CN1CC[C@H]2OCCN(C(=O)c3ccc(F)c([N-]S(C)(=O)=O)c3)[C@H]2C1 ZINC000285912658 489333730 /nfs/dbraw/zinc/33/37/30/489333730.db2.gz UCDZZIUYMJTBFC-LSDHHAIUSA-N -1 3 371.434 0.742 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCC2(O)Cc3ccccc3C2)c(C)o1 ZINC000370241802 489333850 /nfs/dbraw/zinc/33/38/50/489333850.db2.gz DQQNRAFZRVXPME-UHFFFAOYSA-N -1 3 364.423 0.756 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)NC[C@H](O)C(F)(F)F)s1 ZINC000298596015 489341886 /nfs/dbraw/zinc/34/18/86/489341886.db2.gz APBUBHQHYYHRTL-ZETCQYMHSA-N -1 3 361.367 0.379 10 0 FCAEHM CCN1C[C@H](c2noc(-c3ccc(S(=O)(=O)[N-]C)nc3)n2)CC1=O ZINC000351450892 489356918 /nfs/dbraw/zinc/35/69/18/489356918.db2.gz XFVWTAKPADYZGQ-SNVBAGLBSA-N -1 3 351.388 0.376 10 0 FCAEHM C[C@@]1(C[C@@H]2CCCN2C(=O)Cn2c3ccccc3[nH]c2=O)NC(=O)[N-]C1=O ZINC000286169979 489364212 /nfs/dbraw/zinc/36/42/12/489364212.db2.gz KBMOTLMICZMYKT-VOJFVSQTSA-N -1 3 371.397 0.309 10 0 FCAEHM COCCCn1c(=O)[n-]nc1SCC(=O)N1CCOC[C@@H]1C1CC1 ZINC000361799767 489366761 /nfs/dbraw/zinc/36/67/61/489366761.db2.gz RSIUGEGXYHKLTD-GFCCVEGCSA-N -1 3 356.448 0.750 10 0 FCAEHM CNS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2[O-])CCCC3)CC1 ZINC000298839260 489372628 /nfs/dbraw/zinc/37/26/28/489372628.db2.gz DFUNKVJKOZGFIY-UHFFFAOYSA-N -1 3 353.444 0.493 10 0 FCAEHM C[C@@]1(c2cccc(C(=O)N3CCO[C@@]4(CCCOC4)C3)c2)NC(=O)[N-]C1=O ZINC000286268512 489375014 /nfs/dbraw/zinc/37/50/14/489375014.db2.gz HZCXVFDTAKBDHE-OALUTQOASA-N -1 3 373.409 0.763 10 0 FCAEHM COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000362394921 489385564 /nfs/dbraw/zinc/38/55/64/489385564.db2.gz GDXHPEMDALVQHG-STQMWFEESA-N -1 3 360.370 0.223 10 0 FCAEHM COC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H](CF)C(=O)OC)s1 ZINC000286490434 489396546 /nfs/dbraw/zinc/39/65/46/489396546.db2.gz AABYCTVIXRVCHA-SECBINFHSA-N -1 3 368.408 0.436 10 0 FCAEHM COCCN1CCCN(C(=O)CCn2[n-]c(=O)c3ccccc3c2=O)CC1 ZINC000299231205 489421763 /nfs/dbraw/zinc/42/17/63/489421763.db2.gz FKTQFYYFEXTXSA-UHFFFAOYSA-N -1 3 374.441 0.261 10 0 FCAEHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C(=O)OC ZINC000286773649 489427235 /nfs/dbraw/zinc/42/72/35/489427235.db2.gz WOZVMODHHMOPPN-SSDOTTSWSA-N -1 3 370.305 0.483 10 0 FCAEHM Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)CN3CC(=O)[N-]C3=O)C2)n1 ZINC000363395398 489462050 /nfs/dbraw/zinc/46/20/50/489462050.db2.gz KATRHPCODNQYHW-GFCCVEGCSA-N -1 3 359.386 0.119 10 0 FCAEHM O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000363453116 489469061 /nfs/dbraw/zinc/46/90/61/489469061.db2.gz RDUAHUAXYKAYEN-BFYDXBDKSA-N -1 3 373.453 0.976 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000371280457 489472950 /nfs/dbraw/zinc/47/29/50/489472950.db2.gz PVRVQIMYHOTYGA-UWVGGRQHSA-N -1 3 354.457 0.812 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000371280457 489472952 /nfs/dbraw/zinc/47/29/52/489472952.db2.gz PVRVQIMYHOTYGA-UWVGGRQHSA-N -1 3 354.457 0.812 10 0 FCAEHM NC(=O)C1=NO[C@H](C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)C1 ZINC000287334600 489478340 /nfs/dbraw/zinc/47/83/40/489478340.db2.gz KZDRDWHLBZKJEJ-LURJTMIESA-N -1 3 352.294 0.009 10 0 FCAEHM CC[C@@H]([N-]S(=O)(=O)C[C@H]1CCCC1(F)F)C(=O)N1CCOCC1 ZINC000451303685 489497813 /nfs/dbraw/zinc/49/78/13/489497813.db2.gz MXTKMNDETHOHAY-VXGBXAGGSA-N -1 3 354.419 0.979 10 0 FCAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CCCn1ccnn1 ZINC000451391102 489501863 /nfs/dbraw/zinc/50/18/63/489501863.db2.gz FJHHLWBDTHRORJ-SECBINFHSA-N -1 3 358.342 0.472 10 0 FCAEHM CC[C@H]1[C@H](CO)CCN1S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C ZINC000451728700 489520237 /nfs/dbraw/zinc/52/02/37/489520237.db2.gz TWPGHAMUXMJLDT-RYUDHWBXSA-N -1 3 362.473 0.376 10 0 FCAEHM CC[C@@H]1[C@H](CO)CCN1S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C ZINC000451728699 489520667 /nfs/dbraw/zinc/52/06/67/489520667.db2.gz TWPGHAMUXMJLDT-NWDGAFQWSA-N -1 3 362.473 0.376 10 0 FCAEHM CO[C@@H]1COCC[C@H]1C[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000451774867 489523193 /nfs/dbraw/zinc/52/31/93/489523193.db2.gz NVZONWMDTZLFER-NWDGAFQWSA-N -1 3 363.457 0.420 10 0 FCAEHM CCOC(=O)COCC[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000451783929 489523595 /nfs/dbraw/zinc/52/35/95/489523595.db2.gz XDWIHVMSIKTGMF-UHFFFAOYSA-N -1 3 356.322 0.958 10 0 FCAEHM Cc1ccccc1-n1cc(C(=O)Nc2[n-]nnc2C(=O)NC2CC2)nn1 ZINC000415781197 489552867 /nfs/dbraw/zinc/55/28/67/489552867.db2.gz JPADXOJHKWHTPY-UHFFFAOYSA-N -1 3 352.358 0.838 10 0 FCAEHM Cc1ccccc1-n1cc(C(=O)Nc2nn[n-]c2C(=O)NC2CC2)nn1 ZINC000415781197 489552871 /nfs/dbraw/zinc/55/28/71/489552871.db2.gz JPADXOJHKWHTPY-UHFFFAOYSA-N -1 3 352.358 0.838 10 0 FCAEHM Cc1ccccc1-n1cc(C(=O)Nc2n[n-]nc2C(=O)NC2CC2)nn1 ZINC000415781197 489552874 /nfs/dbraw/zinc/55/28/74/489552874.db2.gz JPADXOJHKWHTPY-UHFFFAOYSA-N -1 3 352.358 0.838 10 0 FCAEHM COCCCOC1CN(C(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)C1 ZINC000426675950 489579631 /nfs/dbraw/zinc/57/96/31/489579631.db2.gz XOHHNQUEJNXFGI-GOSISDBHSA-N -1 3 361.398 0.619 10 0 FCAEHM NC(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)C1 ZINC000416399181 489589351 /nfs/dbraw/zinc/58/93/51/489589351.db2.gz GQNRRVMFXWNOBU-YUMQZZPRSA-N -1 3 357.363 0.583 10 0 FCAEHM NC(=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)C1 ZINC000416399177 489589421 /nfs/dbraw/zinc/58/94/21/489589421.db2.gz GQNRRVMFXWNOBU-JGVFFNPUSA-N -1 3 357.363 0.583 10 0 FCAEHM COCCc1cc(NC(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)n(C)n1 ZINC000427123267 489595418 /nfs/dbraw/zinc/59/54/18/489595418.db2.gz WBEVBEPZSHBZKU-SFHVURJKSA-N -1 3 371.397 0.916 10 0 FCAEHM Cn1nccc1[C@@H](CO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000416545888 489608064 /nfs/dbraw/zinc/60/80/64/489608064.db2.gz IYSYQCBJMGKVTP-SECBINFHSA-N -1 3 350.322 0.846 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](O)Cn2ccnn2)c(Cl)c1 ZINC000416553060 489609246 /nfs/dbraw/zinc/60/92/46/489609246.db2.gz CFEMUUWYFNWOIV-SNVBAGLBSA-N -1 3 374.806 0.058 10 0 FCAEHM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000469269851 489698563 /nfs/dbraw/zinc/69/85/63/489698563.db2.gz ZAFUWDWLEFTZJI-AWEZNQCLSA-N -1 3 365.405 0.707 10 0 FCAEHM CNC(=O)[C@@H](NCc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1)C(C)C ZINC000489172453 489699047 /nfs/dbraw/zinc/69/90/47/489699047.db2.gz VZMUBNVKWYCCDT-NSHDSACASA-N -1 3 366.443 0.940 10 0 FCAEHM Cn1cc(C[C@H](O)C(=O)Nc2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)cn1 ZINC000469346809 489703333 /nfs/dbraw/zinc/70/33/33/489703333.db2.gz ZORWLNPREWVQJG-GUYCJALGSA-N -1 3 357.370 0.017 10 0 FCAEHM O=C(CCN1CCN(c2ccccn2)CC1)NC1(c2nnn[n-]2)CCCC1 ZINC000469537837 489711425 /nfs/dbraw/zinc/71/14/25/489711425.db2.gz NWDGCXQWALXAKH-UHFFFAOYSA-N -1 3 370.461 0.693 10 0 FCAEHM O=C(CCN1CCN(c2ccccn2)CC1)NC1(c2nn[n-]n2)CCCC1 ZINC000469537837 489711430 /nfs/dbraw/zinc/71/14/30/489711430.db2.gz NWDGCXQWALXAKH-UHFFFAOYSA-N -1 3 370.461 0.693 10 0 FCAEHM CCOC(=O)c1c(C(C)C)csc1[N-]C(=O)C(=O)N(CCO)CCO ZINC000430000045 489713725 /nfs/dbraw/zinc/71/37/25/489713725.db2.gz GLIUUQYSIVTGBM-UHFFFAOYSA-N -1 3 372.443 0.800 10 0 FCAEHM O=C([N-]c1cnns1)C(=O)NC[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC000430029753 489715963 /nfs/dbraw/zinc/71/59/63/489715963.db2.gz VRHAQMCKUKAYLY-VIFPVBQESA-N -1 3 356.354 0.722 10 0 FCAEHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000430236782 489726656 /nfs/dbraw/zinc/72/66/56/489726656.db2.gz HNCGHMBMKPKXGH-DTWKUNHWSA-N -1 3 353.400 0.586 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCCC[C@@H]1COC(=O)N1CCCCC1 ZINC000376474928 489740530 /nfs/dbraw/zinc/74/05/30/489740530.db2.gz PTCKTWGMLOXCRW-OLZOCXBDSA-N -1 3 366.418 0.588 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc([C@H]3CCCO3)[nH]n2)cn1 ZINC000473854257 489742213 /nfs/dbraw/zinc/74/22/13/489742213.db2.gz JNDPPDSKPCZRJZ-LLVKDONJSA-N -1 3 351.388 0.817 10 0 FCAEHM C[C@@H](CCS(C)(=O)=O)[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000474312194 489753713 /nfs/dbraw/zinc/75/37/13/489753713.db2.gz OKMONXXVKBEKQK-JTQLQIEISA-N -1 3 369.486 0.192 10 0 FCAEHM Cc1ccc(CNC(=O)C[C@@H]2NC(=O)[N-]C2=O)c(OC[C@H]2CCOC2)c1 ZINC000490212358 489754658 /nfs/dbraw/zinc/75/46/58/489754658.db2.gz WTANCRXXNMTMSG-JSGCOSHPSA-N -1 3 361.398 0.625 10 0 FCAEHM CNS(=O)(=O)c1cccc(C(=O)Nc2nnc(SCCO)[n-]2)c1 ZINC000490565352 489773994 /nfs/dbraw/zinc/77/39/94/489773994.db2.gz KJPQGRQHFOSRBM-UHFFFAOYSA-N -1 3 357.417 0.050 10 0 FCAEHM CNS(=O)(=O)c1cccc(C(=O)Nc2nc(SCCO)n[n-]2)c1 ZINC000490565352 489773998 /nfs/dbraw/zinc/77/39/98/489773998.db2.gz KJPQGRQHFOSRBM-UHFFFAOYSA-N -1 3 357.417 0.050 10 0 FCAEHM CNS(=O)(=O)c1cccc(C(=O)Nc2n[n-]c(SCCO)n2)c1 ZINC000490565352 489774001 /nfs/dbraw/zinc/77/40/01/489774001.db2.gz KJPQGRQHFOSRBM-UHFFFAOYSA-N -1 3 357.417 0.050 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(C(=O)Nc3ccc4c(c3)OCC(=O)N4)cnc21 ZINC000490630246 489777421 /nfs/dbraw/zinc/77/74/21/489777421.db2.gz NRPBQFNCWUDHKC-UHFFFAOYSA-N -1 3 367.321 0.617 10 0 FCAEHM COc1nnc(NC(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)[n-]1 ZINC000490693124 489780640 /nfs/dbraw/zinc/78/06/40/489780640.db2.gz NBXOLTITFBVZRO-UHFFFAOYSA-N -1 3 353.404 0.933 10 0 FCAEHM COc1nc(NC(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)n[n-]1 ZINC000490693124 489780642 /nfs/dbraw/zinc/78/06/42/489780642.db2.gz NBXOLTITFBVZRO-UHFFFAOYSA-N -1 3 353.404 0.933 10 0 FCAEHM COc1n[n-]c(NC(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)n1 ZINC000490693124 489780645 /nfs/dbraw/zinc/78/06/45/489780645.db2.gz NBXOLTITFBVZRO-UHFFFAOYSA-N -1 3 353.404 0.933 10 0 FCAEHM Cc1nn2cc(S(=O)(=O)[N-]C3(C(=O)N(C)C)CC3)cnc2c1Cl ZINC000563944632 491278254 /nfs/dbraw/zinc/27/82/54/491278254.db2.gz UEMAWDJJYCLNJU-UHFFFAOYSA-N -1 3 357.823 0.590 10 0 FCAEHM COc1nc(NC(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)n[n-]1 ZINC000490729402 489782657 /nfs/dbraw/zinc/78/26/57/489782657.db2.gz CANZMPAVOQMUMT-UHFFFAOYSA-N -1 3 353.404 0.737 10 0 FCAEHM COc1nnc(NC(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)[n-]1 ZINC000490729402 489782660 /nfs/dbraw/zinc/78/26/60/489782660.db2.gz CANZMPAVOQMUMT-UHFFFAOYSA-N -1 3 353.404 0.737 10 0 FCAEHM COc1n[n-]c(NC(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)n1 ZINC000490729402 489782662 /nfs/dbraw/zinc/78/26/62/489782662.db2.gz CANZMPAVOQMUMT-UHFFFAOYSA-N -1 3 353.404 0.737 10 0 FCAEHM C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)c1cn(C)c(=O)[n-]c1=O ZINC000490934330 489790223 /nfs/dbraw/zinc/79/02/23/489790223.db2.gz MTUFKQGNRGAWQJ-JTQLQIEISA-N -1 3 355.354 0.014 10 0 FCAEHM C[C@H](CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F)[S@@](C)=O ZINC000493954402 489864647 /nfs/dbraw/zinc/86/46/47/489864647.db2.gz FDUVDQVBUIXMGE-NFULHVNHSA-N -1 3 364.464 0.766 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]Cc1nnc2n1CCCC2 ZINC000377194706 489866453 /nfs/dbraw/zinc/86/64/53/489866453.db2.gz IAJBHORDSGNYCL-UHFFFAOYSA-N -1 3 370.456 0.496 10 0 FCAEHM COc1cccc(OC)c1S(=O)(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000433442426 489884209 /nfs/dbraw/zinc/88/42/09/489884209.db2.gz HAPPZTCAPGKAKC-OAHLLOKOSA-N -1 3 369.399 0.067 10 0 FCAEHM CCCCN(CCCC)S(=O)(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000433454504 489885664 /nfs/dbraw/zinc/88/56/64/489885664.db2.gz OKMQKCHBWKGRCN-HNNXBMFYSA-N -1 3 360.480 0.807 10 0 FCAEHM Cc1ccc(S(=O)(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1N(C)C ZINC000433455959 489885769 /nfs/dbraw/zinc/88/57/69/489885769.db2.gz UMATVQXQGVIUCL-INIZCTEOSA-N -1 3 366.443 0.424 10 0 FCAEHM C[C@@]1(c2cccc(C(=O)NCC(=O)NCc3ccco3)c2)NC(=O)[N-]C1=O ZINC000494406703 489889444 /nfs/dbraw/zinc/88/94/44/489889444.db2.gz PZLRHQUABQCXBO-SFHVURJKSA-N -1 3 370.365 0.380 10 0 FCAEHM COCC[C@@H](COC)NC(=O)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000461267526 489901218 /nfs/dbraw/zinc/90/12/18/489901218.db2.gz UXIMSCMCWUOJDI-LBPRGKRZSA-N -1 3 361.398 0.426 10 0 FCAEHM Cc1cc(S(N)(=O)=O)cc(NC(=O)c2cc(=O)[n-]c(N(C)C)n2)c1C ZINC000434024368 489910032 /nfs/dbraw/zinc/91/00/32/489910032.db2.gz HYAWODWKEGWVSX-UHFFFAOYSA-N -1 3 365.415 0.765 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCNC[C@H]1C(F)F ZINC000377559511 489919168 /nfs/dbraw/zinc/91/91/68/489919168.db2.gz DFXHADCGJDUEFP-ZDUSSCGKSA-N -1 3 363.368 0.748 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)c3cnc4c(c3)NC(=O)CO4)cc2n(C)c1=O ZINC000461613311 489921838 /nfs/dbraw/zinc/92/18/38/489921838.db2.gz LBDUKQVWOGPWHO-UHFFFAOYSA-N -1 3 369.337 0.561 10 0 FCAEHM Cn1cc(/C=C\c2nc(-c3ccc4nn[n-]c4c3)no2)c(=O)n(C)c1=O ZINC000571161986 491289249 /nfs/dbraw/zinc/28/92/49/491289249.db2.gz NHNPGZABYGQAKC-XQRVVYSFSA-N -1 3 351.326 0.576 10 0 FCAEHM C/C=C/C[C@H]([N-]S(=O)(=O)N1CCC(C(=O)OC)CC1)C(=O)OCC ZINC000477133483 489945467 /nfs/dbraw/zinc/94/54/67/489945467.db2.gz GACNLTVFLPVJSX-BPJJOFIESA-N -1 3 362.448 0.604 10 0 FCAEHM CNC(=O)c1cccc(NC(=O)[C@@H](C)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000434799984 489957913 /nfs/dbraw/zinc/95/79/13/489957913.db2.gz YKCBWJUIRSCINA-ZMZPIMSZSA-N -1 3 373.413 0.047 10 0 FCAEHM O=C(Cc1ccc(Br)cc1[O-])NCCN1C(=O)CNC1=O ZINC000477347321 489958976 /nfs/dbraw/zinc/95/89/76/489958976.db2.gz FZLPMEXVQKMLGQ-UHFFFAOYSA-N -1 3 356.176 0.365 10 0 FCAEHM COc1cc(S(N)(=O)=O)ccc1[N-]S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000477396492 489962143 /nfs/dbraw/zinc/96/21/43/489962143.db2.gz ALFKOSFJNDIVNC-SNVBAGLBSA-N -1 3 363.461 0.731 10 0 FCAEHM CCN([C@H]1CCOC1)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000462291203 489967122 /nfs/dbraw/zinc/96/71/22/489967122.db2.gz AOFCFYRYCWXWSJ-JTQLQIEISA-N -1 3 366.436 0.997 10 0 FCAEHM CN1CCN(c2ncccc2C[N-]S(=O)(=O)c2cscn2)CC1 ZINC000571202928 491292574 /nfs/dbraw/zinc/29/25/74/491292574.db2.gz NCDQROQHFPRXQO-UHFFFAOYSA-N -1 3 353.473 0.768 10 0 FCAEHM COCCN1CCCN(C(=O)c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)CC1 ZINC000377940010 489983125 /nfs/dbraw/zinc/98/31/25/489983125.db2.gz DXOQFVGEHXNYHN-LJQANCHMSA-N -1 3 374.441 0.536 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)CN2CCN(c3ccccn3)CC2)nc1=N ZINC000564189368 491292914 /nfs/dbraw/zinc/29/29/14/491292914.db2.gz UTZNRPPXXJJCSS-AWEZNQCLSA-N -1 3 370.461 0.108 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]Cc2cnc(N3CCOCC3)c(F)c2)c1 ZINC000462678986 489987766 /nfs/dbraw/zinc/98/77/66/489987766.db2.gz MLNRXMOBNZBHBF-UHFFFAOYSA-N -1 3 369.422 0.752 10 0 FCAEHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)CCCS(C)(=O)=O)C(=O)N1c1ccccc1 ZINC000462719610 489989709 /nfs/dbraw/zinc/98/97/09/489989709.db2.gz GPSUOLTXIWWQCY-TZMCWYRMSA-N -1 3 374.484 0.535 10 0 FCAEHM C[C@H]1C[C@@H]([N-]S(=O)(=O)CCCS(C)(=O)=O)C(=O)N1c1ccccc1 ZINC000462719606 489989854 /nfs/dbraw/zinc/98/98/54/489989854.db2.gz GPSUOLTXIWWQCY-GXTWGEPZSA-N -1 3 374.484 0.535 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)Cc2cccc(NS(C)(=O)=O)c2)n[n-]1 ZINC000435716904 490005587 /nfs/dbraw/zinc/00/55/87/490005587.db2.gz IRHMITBAQPZVMQ-UHFFFAOYSA-N -1 3 374.426 1.363 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)Cc2cccc(NS(C)(=O)=O)c2)[n-]n1 ZINC000435716904 490005589 /nfs/dbraw/zinc/00/55/89/490005589.db2.gz IRHMITBAQPZVMQ-UHFFFAOYSA-N -1 3 374.426 1.363 10 0 FCAEHM O=C(NCC1(O)CCS(=O)(=O)CC1)c1cc2c(cc1[O-])CCCC2 ZINC000436491689 490007889 /nfs/dbraw/zinc/00/78/89/490007889.db2.gz QJWWQZUUYMADEM-UHFFFAOYSA-N -1 3 353.440 0.941 10 0 FCAEHM NC(=O)NC[C@@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000436624594 490009724 /nfs/dbraw/zinc/00/97/24/490009724.db2.gz LXLMPKRASBHAEU-DZGCQCFKSA-N -1 3 374.441 0.904 10 0 FCAEHM CCN(CC)CCS(=O)(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436913332 490016230 /nfs/dbraw/zinc/01/62/30/490016230.db2.gz VAXRPMBEJABKBG-UHFFFAOYSA-N -1 3 369.487 0.822 10 0 FCAEHM COC(=O)CCc1nnc([N-]C(=O)c2cn(Cc3ccccn3)nn2)s1 ZINC000463669355 490024341 /nfs/dbraw/zinc/02/43/41/490024341.db2.gz MJUFEEWBHHIWLI-UHFFFAOYSA-N -1 3 373.398 0.931 10 0 FCAEHM O=C(/C=C/c1cncc([O-])c1)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000378375826 490056714 /nfs/dbraw/zinc/05/67/14/490056714.db2.gz JOWVMFIANSUVMK-DAFODLJHSA-N -1 3 351.428 0.873 10 0 FCAEHM C[C@@H](CC(N)=O)NC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000464732545 490064731 /nfs/dbraw/zinc/06/47/31/490064731.db2.gz MAJLBIQXMPZKOX-VIFPVBQESA-N -1 3 371.440 0.813 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-][C@@H](CO)c2c(F)cccc2F)C[C@H](C)O1 ZINC000443274619 490068253 /nfs/dbraw/zinc/06/82/53/490068253.db2.gz OBUIXLMZLSNBSF-CWSCBRNRSA-N -1 3 350.387 0.942 10 0 FCAEHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000443305407 490069250 /nfs/dbraw/zinc/06/92/50/490069250.db2.gz GGNSEGWOEGLSDM-FOGDFJRCSA-N -1 3 370.402 0.900 10 0 FCAEHM C[C@@]1(c2cccc(C(=O)NCc3noc(C4CC4)n3)c2)NC(=O)[N-]C1=O ZINC000495682173 490088031 /nfs/dbraw/zinc/08/80/31/490088031.db2.gz NUGWBESICBWUPP-KRWDZBQOSA-N -1 3 355.354 0.932 10 0 FCAEHM C[C@@]1(c2ccc(C(=O)NCc3noc(C4CC4)n3)cc2)NC(=O)[N-]C1=O ZINC000495727396 490089244 /nfs/dbraw/zinc/08/92/44/490089244.db2.gz JXZJPVHOLCLPCZ-KRWDZBQOSA-N -1 3 355.354 0.932 10 0 FCAEHM C[C@H]1CN(C(=O)CC[N-]S(=O)(=O)c2ccccc2F)CC(=O)N1C ZINC000506525482 490102143 /nfs/dbraw/zinc/10/21/43/490102143.db2.gz QSTIVNXRONFXHB-NSHDSACASA-N -1 3 357.407 0.183 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CCCO[C@H]1CCOC1 ZINC000465487684 490124862 /nfs/dbraw/zinc/12/48/62/490124862.db2.gz ANXWRWIVJBAJLU-LBPRGKRZSA-N -1 3 363.457 0.564 10 0 FCAEHM CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000506688743 490126645 /nfs/dbraw/zinc/12/66/45/490126645.db2.gz OPPJCPWERXXOMB-MFKMUULPSA-N -1 3 365.411 0.018 10 0 FCAEHM Cc1noc(C2CCC(NC(=O)N3CCN4C(=O)[N-]C(=O)[C@H]4C3)CC2)n1 ZINC000545434399 490135360 /nfs/dbraw/zinc/13/53/60/490135360.db2.gz HPOHHHIAFUBLOV-HTAVTVPLSA-N -1 3 362.390 0.350 10 0 FCAEHM COc1ccccc1[C@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1ccccn1 ZINC000497513224 490169368 /nfs/dbraw/zinc/16/93/68/490169368.db2.gz ZOSMSJNECYLSDR-BBRMVZONSA-N -1 3 354.366 0.894 10 0 FCAEHM CCOC(=O)[C@@]1(COC)CCCN(C(=O)c2cc(=O)[n-]c(N(C)C)n2)C1 ZINC000545992695 490172943 /nfs/dbraw/zinc/17/29/43/490172943.db2.gz FVHIMTUYZANNRL-KRWDZBQOSA-N -1 3 366.418 0.680 10 0 FCAEHM COC1(CO)CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)CC1 ZINC000446981594 490178343 /nfs/dbraw/zinc/17/83/43/490178343.db2.gz RNEDDQRKLXLROD-LBPRGKRZSA-N -1 3 374.434 0.492 10 0 FCAEHM COCC[C@@H](COC)[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000564403167 491305521 /nfs/dbraw/zinc/30/55/21/491305521.db2.gz JVUVEZBITBONDV-NSHDSACASA-N -1 3 351.446 0.420 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)Nc1cnccc1CO ZINC000497609659 490183063 /nfs/dbraw/zinc/18/30/63/490183063.db2.gz HJYUIWUWZGBKSD-UHFFFAOYSA-N -1 3 352.350 0.784 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](C)S(C)(=O)=O)c(Cl)c1 ZINC000533150075 490186054 /nfs/dbraw/zinc/18/60/54/490186054.db2.gz INKPSCXNCRSIMB-MRVPVSSYSA-N -1 3 369.848 0.838 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000533222556 490196282 /nfs/dbraw/zinc/19/62/82/490196282.db2.gz MFWKLBZDNRMDSA-AXFHLTTASA-N -1 3 359.473 0.575 10 0 FCAEHM CN(C)S(=O)(=O)c1ccc(-c2noc(CN3CC(=O)[N-]C3=O)n2)cc1 ZINC000546353521 490211957 /nfs/dbraw/zinc/21/19/57/490211957.db2.gz VYYBYWAMPUEXCI-UHFFFAOYSA-N -1 3 365.371 0.039 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]Cc2nc([C@@H]3CCO[C@H](C)C3)no2)cn1C ZINC000546509767 490217102 /nfs/dbraw/zinc/21/71/02/490217102.db2.gz RANNWVXMAGDVQK-MWLCHTKSSA-N -1 3 355.420 0.873 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1C[C@H](C)N(C)C[C@@H]1C ZINC000408071011 490238015 /nfs/dbraw/zinc/23/80/15/490238015.db2.gz JIZIOJYUOOBKIM-NHCYSSNCSA-N -1 3 358.464 0.509 10 0 FCAEHM C[C@@H]1CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)C[C@@H]1O ZINC000408091990 490246549 /nfs/dbraw/zinc/24/65/49/490246549.db2.gz WNGJGHPOUDGYSX-RNCFNFMXSA-N -1 3 366.436 0.589 10 0 FCAEHM COC[C@](C)(CCO)NC(=O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000482995445 490268557 /nfs/dbraw/zinc/26/85/57/490268557.db2.gz YJEHCHQGGJJQEE-HNNXBMFYSA-N -1 3 362.423 0.398 10 0 FCAEHM C[C@H]1CCN(C(=O)c2cn(C)c(=O)[n-]c2=O)C[C@@H]1C(=O)OC(C)(C)C ZINC000571524782 491313335 /nfs/dbraw/zinc/31/33/35/491313335.db2.gz COMLWRCCMPQPIE-QWRGUYRKSA-N -1 3 351.403 0.926 10 0 FCAEHM COc1ccc(C(=O)NCCNC(=O)c2cc(=O)[n-]c(N(C)C)n2)cc1 ZINC000547326462 490279627 /nfs/dbraw/zinc/27/96/27/490279627.db2.gz QFKCUWFWNZDRFT-UHFFFAOYSA-N -1 3 359.386 0.417 10 0 FCAEHM C[C@]1(C[C@H]2CCCN2C(=O)c2cc3c(cn2)OCCO3)NC(=O)[N-]C1=O ZINC000521614175 490281909 /nfs/dbraw/zinc/28/19/09/490281909.db2.gz AICKSWQJKCAIRY-BMLIUANNSA-N -1 3 360.370 0.446 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H](CO)CC(F)(F)F ZINC000533799111 490283275 /nfs/dbraw/zinc/28/32/75/490283275.db2.gz YHRUBQSZFZJNHP-QMMMGPOBSA-N -1 3 361.363 0.682 10 0 FCAEHM COC(=O)[C@@]1(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)CCSC1 ZINC000534050757 490312745 /nfs/dbraw/zinc/31/27/45/490312745.db2.gz PTPVQHUHQJIUQR-CQSZACIVSA-N -1 3 358.441 0.837 10 0 FCAEHM CCOC(=O)c1c(C(C)C)csc1[N-]C(=O)C(=O)N(C)CC(N)=O ZINC000467629524 490320964 /nfs/dbraw/zinc/32/09/64/490320964.db2.gz NPLJNJNPGKORQJ-UHFFFAOYSA-N -1 3 355.416 0.930 10 0 FCAEHM Cn1nccc1N1CCC[C@H]([N-]S(=O)(=O)N2CCCCCC2)C1=O ZINC000408387462 490323166 /nfs/dbraw/zinc/32/31/66/490323166.db2.gz XVRFVIQBGMBAQP-ZDUSSCGKSA-N -1 3 355.464 0.626 10 0 FCAEHM CC1CCN(S(=O)(=O)[N-][C@H]2CCCN(c3ccnn3C)C2=O)CC1 ZINC000408387283 490323314 /nfs/dbraw/zinc/32/33/14/490323314.db2.gz VJKVJOALEFHIIX-ZDUSSCGKSA-N -1 3 355.464 0.482 10 0 FCAEHM C[C@]1(c2ccc(C(=O)N[C@@H]3CCCCC[C@H]3C(N)=O)cc2)NC(=O)[N-]C1=O ZINC000467684307 490329110 /nfs/dbraw/zinc/32/91/10/490329110.db2.gz BTMZRRNGDJLIIH-PJIJBLCYSA-N -1 3 372.425 0.905 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)NC[C@H]3CCC(C)(C)O3)cnc21 ZINC000547641892 490333463 /nfs/dbraw/zinc/33/34/63/490333463.db2.gz LIOULJNHUBISAM-SECBINFHSA-N -1 3 368.415 0.270 10 0 FCAEHM C[C@@H]1CCN(C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)C[C@@H]1C(=O)[O-] ZINC000564655842 491318866 /nfs/dbraw/zinc/31/88/66/491318866.db2.gz MRZGLSZKZGUNLW-KGLIPLIRSA-N -1 3 353.463 0.888 10 0 FCAEHM Cc1ccc(CNC(=O)C2CCN(C(=O)C[C@@H]3NC(=O)[N-]C3=O)CC2)cc1 ZINC000534278367 490340842 /nfs/dbraw/zinc/34/08/42/490340842.db2.gz MLHDHFOTDHAITK-HNNXBMFYSA-N -1 3 372.425 0.448 10 0 FCAEHM O=C(c1ccco1)N1CCCC[C@H]1C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000408453807 490342380 /nfs/dbraw/zinc/34/23/80/490342380.db2.gz TTYVWVUWBSRAGH-KPZWWZAWSA-N -1 3 374.397 0.475 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)N(C)Cc2cc[nH]n2)ccc1F ZINC000498815513 490345494 /nfs/dbraw/zinc/34/54/94/490345494.db2.gz XTRMUZUACOQZGO-UHFFFAOYSA-N -1 3 369.378 0.054 10 0 FCAEHM NS(=O)(=O)[C@@H]1CCN(C(=O)Cc2ccc(Br)cc2[O-])C1 ZINC000547751222 490351958 /nfs/dbraw/zinc/35/19/58/490351958.db2.gz QPWDUTQWAOFFSU-SNVBAGLBSA-N -1 3 363.233 0.587 10 0 FCAEHM CC1(C)NC(=O)N(CC(=O)Nc2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)C1=O ZINC000508856944 490367258 /nfs/dbraw/zinc/36/72/58/490367258.db2.gz NUCBQDAUTKQVIN-KRWDZBQOSA-N -1 3 373.369 0.010 10 0 FCAEHM CSc1nnc(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)[n-]1 ZINC000499059774 490385034 /nfs/dbraw/zinc/38/50/34/490385034.db2.gz WLZQFJIWEWXOLX-UHFFFAOYSA-N -1 3 352.420 0.966 10 0 FCAEHM CSc1n[n-]c(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)n1 ZINC000499059774 490385037 /nfs/dbraw/zinc/38/50/37/490385037.db2.gz WLZQFJIWEWXOLX-UHFFFAOYSA-N -1 3 352.420 0.966 10 0 FCAEHM CSc1nc(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)n[n-]1 ZINC000499059774 490385040 /nfs/dbraw/zinc/38/50/40/490385040.db2.gz WLZQFJIWEWXOLX-UHFFFAOYSA-N -1 3 352.420 0.966 10 0 FCAEHM C[C@@H](NC(=O)CCc1ccccc1)C(=O)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000411111366 490387941 /nfs/dbraw/zinc/38/79/41/490387941.db2.gz QVSIEFVDHNLUHV-LLVKDONJSA-N -1 3 370.413 0.773 10 0 FCAEHM C[C@@H](NC(=O)CCc1ccccc1)C(=O)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000411111366 490387952 /nfs/dbraw/zinc/38/79/52/490387952.db2.gz QVSIEFVDHNLUHV-LLVKDONJSA-N -1 3 370.413 0.773 10 0 FCAEHM C[C@@H](NC(=O)CCc1ccccc1)C(=O)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000411111366 490387965 /nfs/dbraw/zinc/38/79/65/490387965.db2.gz QVSIEFVDHNLUHV-LLVKDONJSA-N -1 3 370.413 0.773 10 0 FCAEHM COC(=O)[C@@]1([N-]S(=O)(=O)N2CCc3ccccc3C2)CCSC1 ZINC000534654056 490392655 /nfs/dbraw/zinc/39/26/55/490392655.db2.gz LTTRRSVMESVCCG-OAHLLOKOSA-N -1 3 356.469 0.928 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@H](c2cccnc2)C2CC2)cn1C ZINC000534739185 490402886 /nfs/dbraw/zinc/40/28/86/490402886.db2.gz IXOIGMLFVRZQQI-INIZCTEOSA-N -1 3 363.443 0.669 10 0 FCAEHM CS(=O)(=O)c1cccnc1C[N-]S(=O)(=O)c1cccc2c1OCO2 ZINC000509241845 490406821 /nfs/dbraw/zinc/40/68/21/490406821.db2.gz WXUUGPZHFHJRGJ-UHFFFAOYSA-N -1 3 370.408 0.692 10 0 FCAEHM COC(=O)Cc1n[n-]c(NC(=O)[C@H](NC(=O)c2ccccn2)C(C)C)n1 ZINC000522925767 490419940 /nfs/dbraw/zinc/41/99/40/490419940.db2.gz HOTSFBJHLLKAIV-CYBMUJFWSA-N -1 3 360.374 0.308 10 0 FCAEHM COC(=O)Cc1nnc(NC(=O)[C@H](NC(=O)c2ccccn2)C(C)C)[n-]1 ZINC000522925767 490419944 /nfs/dbraw/zinc/41/99/44/490419944.db2.gz HOTSFBJHLLKAIV-CYBMUJFWSA-N -1 3 360.374 0.308 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)[C@H](NC(=O)c2ccccn2)C(C)C)n[n-]1 ZINC000522925767 490419946 /nfs/dbraw/zinc/41/99/46/490419946.db2.gz HOTSFBJHLLKAIV-CYBMUJFWSA-N -1 3 360.374 0.308 10 0 FCAEHM O=C(NCc1nnnn1CC1CC1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000548108882 490422078 /nfs/dbraw/zinc/42/20/78/490422078.db2.gz QNOUUOKLTGLGQU-CQSZACIVSA-N -1 3 370.413 0.710 10 0 FCAEHM CC[C@@H](CO)N1CCN(C(=O)C(=O)[N-]c2nccn2-c2ccccc2)CC1 ZINC000411300274 490425657 /nfs/dbraw/zinc/42/56/57/490425657.db2.gz WBNBETRCXHBFIN-HNNXBMFYSA-N -1 3 371.441 0.726 10 0 FCAEHM CCCc1nc(=NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCCN3C)C2)s[n-]1 ZINC000411313867 490428465 /nfs/dbraw/zinc/42/84/65/490428465.db2.gz YTORVWOTUBZTKS-NWDGAFQWSA-N -1 3 351.476 0.794 10 0 FCAEHM CCOc1cc2c(cc1[C@@H]1C[C@H]1NC(=O)C[C@@H]1NC(=O)[N-]C1=O)O[C@H](C)C2 ZINC000535006570 490434861 /nfs/dbraw/zinc/43/48/61/490434861.db2.gz HJCKXHAFLLJUKX-MWQHPAIMSA-N -1 3 373.409 0.979 10 0 FCAEHM COC(=O)C1([N-]S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CCSCC1 ZINC000548294129 490458493 /nfs/dbraw/zinc/45/84/93/490458493.db2.gz QGDBAIVMTPXUQA-QWRGUYRKSA-N -1 3 352.478 0.369 10 0 FCAEHM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NCCNc2ccncc2)c1 ZINC000468878504 490459221 /nfs/dbraw/zinc/45/92/21/490459221.db2.gz HMMMOMLXFCYMQI-UHFFFAOYSA-N -1 3 364.427 0.301 10 0 FCAEHM CO[C@@H]1C[C@H](CC(=O)[O-])N(C[C@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000571767541 491327869 /nfs/dbraw/zinc/32/78/69/491327869.db2.gz AFLARECVGVYGRK-MBNYWOFBSA-N -1 3 353.371 0.719 10 0 FCAEHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H](C(=O)OC)c1ccn(C)n1 ZINC000468982836 490472862 /nfs/dbraw/zinc/47/28/62/490472862.db2.gz PQGMRZKZKGCKEX-JTQLQIEISA-N -1 3 373.412 0.461 10 0 FCAEHM Nc1nccc([C@@H]2CCCN(C(=O)CNC(=O)c3cccc([O-])c3)C2)n1 ZINC000509878664 490472931 /nfs/dbraw/zinc/47/29/31/490472931.db2.gz OIHJEOGICVGHRP-CYBMUJFWSA-N -1 3 355.398 0.900 10 0 FCAEHM O=S(=O)([N-]C1CC1)c1ccccc1S(=O)(=O)N1C[C@H](O)C2(CC2)C1 ZINC000548371022 490473766 /nfs/dbraw/zinc/47/37/66/490473766.db2.gz MBQYLXLJIWUMAX-AWEZNQCLSA-N -1 3 372.468 0.273 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NC[C@H](CO)c1cccnc1 ZINC000571793435 491329711 /nfs/dbraw/zinc/32/97/11/491329711.db2.gz QSSNVXSYLMXLLZ-DGCLKSJQSA-N -1 3 369.468 0.702 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NC[C@@H](CO)c1cccnc1 ZINC000571793437 491329714 /nfs/dbraw/zinc/32/97/14/491329714.db2.gz QSSNVXSYLMXLLZ-YPMHNXCESA-N -1 3 369.468 0.702 10 0 FCAEHM CCS(=O)(=O)NCCS(=O)(=O)[N-]Cc1noc(-c2ccccc2)n1 ZINC000510073900 490489771 /nfs/dbraw/zinc/48/97/71/490489771.db2.gz SUADOKZRZNPYKT-UHFFFAOYSA-N -1 3 374.444 0.095 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2CC(=O)NCCOc2ccc(F)cc2)nc1=N ZINC000450913493 490497578 /nfs/dbraw/zinc/49/75/78/490497578.db2.gz OCMKCGFSXTWUBC-CQSZACIVSA-N -1 3 362.409 0.699 10 0 FCAEHM C[C@@](O)(C[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)C(F)(F)F ZINC000535538997 490497850 /nfs/dbraw/zinc/49/78/50/490497850.db2.gz YVLGAELNSRCRGY-SNVBAGLBSA-N -1 3 361.363 0.682 10 0 FCAEHM CCNC(=O)c1ccc(NCc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)nn1 ZINC000413111901 490499117 /nfs/dbraw/zinc/49/91/17/490499117.db2.gz QOYYCHVKBHUBNL-SFHVURJKSA-N -1 3 368.397 0.893 10 0 FCAEHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N(CCO)[C@@H]1CCO[C@H]1C ZINC000485216302 490515119 /nfs/dbraw/zinc/51/51/19/490515119.db2.gz XTRJIOJVFBJWEP-GXSJLCMTSA-N -1 3 356.400 0.472 10 0 FCAEHM CCN(Cc1cn(C)nn1)C(=O)C(=O)[N-]c1scc(C)c1C(=O)OC ZINC000500643783 490539660 /nfs/dbraw/zinc/53/96/60/490539660.db2.gz VANRVUVRCDWODY-UHFFFAOYSA-N -1 3 365.415 0.959 10 0 FCAEHM CCOC(=O)[C@@H]([N-]S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)C1CCOCC1 ZINC000536157160 490557872 /nfs/dbraw/zinc/55/78/72/490557872.db2.gz GVUJZDHCPQCWBN-SCRDCRAPSA-N -1 3 364.464 0.288 10 0 FCAEHM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)CCCS(C)(=O)=O)CCCC1 ZINC000524870730 490566076 /nfs/dbraw/zinc/56/60/76/490566076.db2.gz RPLJMINQCCSBHP-UHFFFAOYSA-N -1 3 369.505 0.995 10 0 FCAEHM CN(C)c1nc(C(=O)N2CCC(CN3CCN(C)CC3)CC2)cc(=O)[n-]1 ZINC000549270613 490572783 /nfs/dbraw/zinc/57/27/83/490572783.db2.gz HITAPUXRRXZMPU-UHFFFAOYSA-N -1 3 362.478 0.348 10 0 FCAEHM CN(C)c1nc(C(=O)NCc2ccc3c(c2)CCS3(=O)=O)cc(=O)[n-]1 ZINC000549296197 490573911 /nfs/dbraw/zinc/57/39/11/490573911.db2.gz FNVOKBZNSRDVIL-UHFFFAOYSA-N -1 3 362.411 0.508 10 0 FCAEHM CN(C)c1nc(C(=O)N2CCS(=O)(=O)c3ccccc3C2)cc(=O)[n-]1 ZINC000549327173 490575697 /nfs/dbraw/zinc/57/56/97/490575697.db2.gz YHWGMZKZHSALQV-UHFFFAOYSA-N -1 3 362.411 0.678 10 0 FCAEHM CCOC(=O)c1[n-]c(C)nc1NC(=O)CCCN1C(=O)NC(C)(C)C1=O ZINC000525129623 490578974 /nfs/dbraw/zinc/57/89/74/490578974.db2.gz AOPLBHQCRGBYFT-UHFFFAOYSA-N -1 3 365.390 0.944 10 0 FCAEHM CCOC(=O)c1nc(C)[n-]c1NC(=O)CCCN1C(=O)NC(C)(C)C1=O ZINC000525129623 490578981 /nfs/dbraw/zinc/57/89/81/490578981.db2.gz AOPLBHQCRGBYFT-UHFFFAOYSA-N -1 3 365.390 0.944 10 0 FCAEHM CC(C)C[C@H]([N-]S(=O)(=O)CCCS(C)(=O)=O)C(=O)OC(C)C ZINC000525386015 490601143 /nfs/dbraw/zinc/60/11/43/490601143.db2.gz ALHLQDSKGMFOLG-LBPRGKRZSA-N -1 3 357.494 0.707 10 0 FCAEHM CCn1cncc1S(=O)(=O)N1CCC[C@@H]1C[C@@]1(C)NC(=O)[N-]C1=O ZINC000556818613 491339321 /nfs/dbraw/zinc/33/93/21/491339321.db2.gz OLTDOQYOBVFWNZ-QMTHXVAHSA-N -1 3 355.420 0.044 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)Nc2cnc(N(C)C)nc2)s1 ZINC000501577873 490617650 /nfs/dbraw/zinc/61/76/50/490617650.db2.gz JKBULSGRRIWWKT-UHFFFAOYSA-N -1 3 370.460 0.834 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)nc1=N ZINC000550118952 490627351 /nfs/dbraw/zinc/62/73/51/490627351.db2.gz XRYHLDVZZKWTHW-RKDXNWHRSA-N -1 3 360.340 0.302 10 0 FCAEHM CCNC(=O)C1(C[N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)CCC1 ZINC000486624901 490653487 /nfs/dbraw/zinc/65/34/87/490653487.db2.gz BPUMSSFMHIFUCZ-UHFFFAOYSA-N -1 3 374.484 0.675 10 0 FCAEHM O=C(NCc1ncccc1[O-])C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000525946961 490656894 /nfs/dbraw/zinc/65/68/94/490656894.db2.gz YMDOWCSFLAQDFM-UHFFFAOYSA-N -1 3 356.382 0.879 10 0 FCAEHM O=C(NCc1ccn(Cc2ccccc2)n1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000572028642 491343627 /nfs/dbraw/zinc/34/36/27/491343627.db2.gz JBGZIXYYQJZIHO-OAHLLOKOSA-N -1 3 368.397 0.377 10 0 FCAEHM CS(=O)(=O)c1cccnc1C[N-]S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000486858343 490676846 /nfs/dbraw/zinc/67/68/46/490676846.db2.gz VSUSNPFZXSSMHF-UHFFFAOYSA-N -1 3 369.424 0.063 10 0 FCAEHM C[C@H](NC(=O)NCc1nnc(C(F)(F)F)[n-]1)C1(S(C)(=O)=O)CC1 ZINC000502108349 490678015 /nfs/dbraw/zinc/67/80/15/490678015.db2.gz GJHZYKPNBXWCKT-LURJTMIESA-N -1 3 355.342 0.588 10 0 FCAEHM C[C@H](NC(=O)NCc1n[n-]c(C(F)(F)F)n1)C1(S(C)(=O)=O)CC1 ZINC000502108349 490678018 /nfs/dbraw/zinc/67/80/18/490678018.db2.gz GJHZYKPNBXWCKT-LURJTMIESA-N -1 3 355.342 0.588 10 0 FCAEHM C[C@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)C1(S(C)(=O)=O)CC1 ZINC000502108349 490678022 /nfs/dbraw/zinc/67/80/22/490678022.db2.gz GJHZYKPNBXWCKT-LURJTMIESA-N -1 3 355.342 0.588 10 0 FCAEHM CN1CCN(c2cc(CNC(=O)NCc3ncccc3[O-])ccn2)CC1 ZINC000526819810 490682862 /nfs/dbraw/zinc/68/28/62/490682862.db2.gz RMJJAHDQPHBCSY-UHFFFAOYSA-N -1 3 356.430 0.933 10 0 FCAEHM CC(C)n1cc(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)nn1 ZINC000512546856 490688347 /nfs/dbraw/zinc/68/83/47/490688347.db2.gz GUVITMMQNAKINR-UHFFFAOYSA-N -1 3 373.385 0.846 10 0 FCAEHM Cc1nc(C(=O)Nc2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)c(=O)[nH]c1C ZINC000537719981 490690897 /nfs/dbraw/zinc/69/08/97/490690897.db2.gz HPKHQRPGADZPER-LBPRGKRZSA-N -1 3 355.354 0.390 10 0 FCAEHM CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000487148429 490698069 /nfs/dbraw/zinc/69/80/69/490698069.db2.gz GUEFMTLQCDYEGM-QWRGUYRKSA-N -1 3 366.418 0.304 10 0 FCAEHM COC(=O)CCCCNC(=O)N1CCC[C@@H]1C[C@]1(C)NC(=O)[N-]C1=O ZINC000487245781 490701942 /nfs/dbraw/zinc/70/19/42/490701942.db2.gz YQXHQKSQYOSTFY-BZNIZROVSA-N -1 3 354.407 0.492 10 0 FCAEHM O=C(Cc1ccn(-c2ccccc2)n1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000572088431 491347846 /nfs/dbraw/zinc/34/78/46/491347846.db2.gz FLWWOGFQMHXKCX-GOSISDBHSA-N -1 3 353.382 0.615 10 0 FCAEHM CCN(C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)[C@@H]1CCS(=O)(=O)C1 ZINC000537993278 490704555 /nfs/dbraw/zinc/70/45/55/490704555.db2.gz PREOZLMHPSMECI-SNVBAGLBSA-N -1 3 351.384 0.611 10 0 FCAEHM O=C(CNC(=O)c1cccnc1)NCCCNC(=O)c1cccc([O-])c1 ZINC000487329941 490704750 /nfs/dbraw/zinc/70/47/50/490704750.db2.gz CUZHAGFELNMAIM-UHFFFAOYSA-N -1 3 356.382 0.453 10 0 FCAEHM C[C@@H]1OCC[C@H]1S(=O)(=O)[N-]CC(=O)Nc1ccc(-n2cccn2)cc1 ZINC000527192603 490707287 /nfs/dbraw/zinc/70/72/87/490707287.db2.gz GGVYQFUHLLGINX-SWLSCSKDSA-N -1 3 364.427 0.908 10 0 FCAEHM CCS(=O)(=O)N1CCC(CNC(=O)NCc2ncccc2[O-])CC1 ZINC000527455061 490725990 /nfs/dbraw/zinc/72/59/90/490725990.db2.gz PYCBOZGJGNLVKN-UHFFFAOYSA-N -1 3 356.448 0.648 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)CNC(N)=O ZINC000538412351 490732014 /nfs/dbraw/zinc/73/20/14/490732014.db2.gz WVEFNJOXRVZXIT-UHFFFAOYSA-N -1 3 354.310 0.684 10 0 FCAEHM O=C(Cc1ccc(Br)s1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000538708495 490745275 /nfs/dbraw/zinc/74/52/75/490745275.db2.gz NCUBGUWVPGHMBP-MRVPVSSYSA-N -1 3 358.217 0.816 10 0 FCAEHM CC(C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)[C@@H](C)CO)cc1F ZINC000503220703 490745271 /nfs/dbraw/zinc/74/52/71/490745271.db2.gz QMTCUYCBVUSONA-JTQLQIEISA-N -1 3 368.452 0.977 10 0 FCAEHM CCc1cc(C(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)ccc1[O-] ZINC000488488641 490762365 /nfs/dbraw/zinc/76/23/65/490762365.db2.gz OOXHVAGSKDWBDT-CQSZACIVSA-N -1 3 355.460 0.955 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1cnc(N(C)C)nc1 ZINC000503646731 490768681 /nfs/dbraw/zinc/76/86/81/490768681.db2.gz HCZZLCOZEOMSKI-JTQLQIEISA-N -1 3 367.406 0.987 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1cnc(N(C)C)nc1 ZINC000503653889 490769276 /nfs/dbraw/zinc/76/92/76/490769276.db2.gz UEQIYLKGSNIDPF-VIFPVBQESA-N -1 3 355.445 0.910 10 0 FCAEHM CCOc1ncccc1C(=O)N1CC[C@H](N(C)Cc2cc(=O)[n-]c(N)n2)C1 ZINC000504535551 490803611 /nfs/dbraw/zinc/80/36/11/490803611.db2.gz BUZYGEKUVWJPMM-ZDUSSCGKSA-N -1 3 372.429 0.905 10 0 FCAEHM CCOc1ncccc1C(=O)N1CC[C@@H](N(C)Cc2cc(=O)[n-]c(N)n2)C1 ZINC000504535550 490803661 /nfs/dbraw/zinc/80/36/61/490803661.db2.gz BUZYGEKUVWJPMM-CYBMUJFWSA-N -1 3 372.429 0.905 10 0 FCAEHM CN(C(=O)C[C@@H]1NC(=O)[N-]C1=O)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000540205197 490809962 /nfs/dbraw/zinc/80/99/62/490809962.db2.gz FNCAIWLQLQJCSG-ZFWWWQNUSA-N -1 3 359.361 0.705 10 0 FCAEHM CNC(=O)NC[C@H]1CN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)CCO1 ZINC000528624511 490814486 /nfs/dbraw/zinc/81/44/86/490814486.db2.gz VJANQXKOOZYKII-HNNXBMFYSA-N -1 3 357.414 0.979 10 0 FCAEHM CNC(=O)NC[C@@H]1CN(Cc2cc(=O)oc3c(C)c([O-])ccc23)CCO1 ZINC000528627983 490815876 /nfs/dbraw/zinc/81/58/76/490815876.db2.gz UNZAANLVURWWGE-CYBMUJFWSA-N -1 3 361.398 0.937 10 0 FCAEHM CN1CCN(c2cc(C(=O)N3CCC[C@H](c4nnn[n-]4)C3)ccn2)CC1 ZINC000540423117 490821680 /nfs/dbraw/zinc/82/16/80/490821680.db2.gz JASFZESXYOWSMT-AWEZNQCLSA-N -1 3 356.434 0.366 10 0 FCAEHM CN1CCN(c2cc(C(=O)N3CCC[C@H](c4nn[n-]n4)C3)ccn2)CC1 ZINC000540423117 490821683 /nfs/dbraw/zinc/82/16/83/490821683.db2.gz JASFZESXYOWSMT-AWEZNQCLSA-N -1 3 356.434 0.366 10 0 FCAEHM COC(=O)CC1([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)CC1 ZINC000515417410 490825704 /nfs/dbraw/zinc/82/57/04/490825704.db2.gz RUCOEGWWLMLUJS-UHFFFAOYSA-N -1 3 365.404 0.603 10 0 FCAEHM O=C(c1nc(C(F)(F)F)n2c1CCCC2)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000528784711 490827722 /nfs/dbraw/zinc/82/77/22/490827722.db2.gz PJCFFHVYADNSRA-VIFPVBQESA-N -1 3 371.319 0.614 10 0 FCAEHM O=C(Nc1cnccc1CO)c1cnc2c(c1)c(=O)[n-]c(=O)n2C1CC1 ZINC000540807535 490836165 /nfs/dbraw/zinc/83/61/65/490836165.db2.gz ZAVVLCIMUHBNJV-UHFFFAOYSA-N -1 3 353.338 0.972 10 0 FCAEHM CCn1ncc(CNC(=O)Nc2ccc(C[C@H]3NC(=O)[N-]C3=O)cc2)n1 ZINC000529041041 490838671 /nfs/dbraw/zinc/83/86/71/490838671.db2.gz KBXVCAJGQAVSSQ-CYBMUJFWSA-N -1 3 357.374 0.370 10 0 FCAEHM O=C1NC(=O)N2CCN(Cc3nc4c5ccccc5oc4c(=O)[n-]3)C[C@H]12 ZINC000540911677 490839291 /nfs/dbraw/zinc/83/92/91/490839291.db2.gz YFONTXPDUICBTF-SNVBAGLBSA-N -1 3 353.338 0.818 10 0 FCAEHM Cc1cc(NC(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)ccc1OCCO ZINC000541166216 490853573 /nfs/dbraw/zinc/85/35/73/490853573.db2.gz ACDZOFKILVMCKT-UHFFFAOYSA-N -1 3 370.365 0.966 10 0 FCAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CS(=O)(=O)N(C)C)cc2)n1 ZINC000541395960 490860884 /nfs/dbraw/zinc/86/08/84/490860884.db2.gz LVCFVDSKDSFQJQ-UHFFFAOYSA-N -1 3 350.400 0.575 10 0 FCAEHM CN(C)S(=O)(=O)CC(=O)NCc1ccc([O-])c(Br)c1 ZINC000541466725 490863132 /nfs/dbraw/zinc/86/31/32/490863132.db2.gz REZVMRVGPAXPOG-UHFFFAOYSA-N -1 3 351.222 0.662 10 0 FCAEHM O=C(Nc1csc(-c2ccccn2)n1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000541763087 490871399 /nfs/dbraw/zinc/87/13/99/490871399.db2.gz AXAMZPCFPJLFRR-JTQLQIEISA-N -1 3 358.383 0.973 10 0 FCAEHM CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cc(F)cc2nn[n-]c21 ZINC000529751295 490872707 /nfs/dbraw/zinc/87/27/07/490872707.db2.gz HJKTTZQXWBAUKW-KRWDZBQOSA-N -1 3 363.393 0.443 10 0 FCAEHM CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cc(F)cc2[n-]nnc21 ZINC000529751295 490872709 /nfs/dbraw/zinc/87/27/09/490872709.db2.gz HJKTTZQXWBAUKW-KRWDZBQOSA-N -1 3 363.393 0.443 10 0 FCAEHM CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cc(F)cc2n[n-]nc21 ZINC000529751295 490872711 /nfs/dbraw/zinc/87/27/11/490872711.db2.gz HJKTTZQXWBAUKW-KRWDZBQOSA-N -1 3 363.393 0.443 10 0 FCAEHM Cc1cc(NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)nn1[C@H](C)C1CC1 ZINC000542390901 490895521 /nfs/dbraw/zinc/89/55/21/490895521.db2.gz SKYUAZZVHUEALS-LLVKDONJSA-N -1 3 366.447 0.813 10 0 FCAEHM CNC(=O)NC[C@H]1CN(C(=O)c2c[n-]c3c(C)cccc3c2=O)CCO1 ZINC000530272722 490896870 /nfs/dbraw/zinc/89/68/70/490896870.db2.gz ICJFAYUOOVKTTK-LBPRGKRZSA-N -1 3 358.398 0.607 10 0 FCAEHM CCO[C@@H]1C[C@H](NC(=O)CNC(=O)c2cccc([O-])c2)[C@@H]1n1cccn1 ZINC000517427599 490909067 /nfs/dbraw/zinc/90/90/67/490909067.db2.gz GAZUMUVOBSVULD-UXLLHSPISA-N -1 3 358.398 0.853 10 0 FCAEHM CN(C)C(=O)CN1CCC(NC(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000518318165 490936596 /nfs/dbraw/zinc/93/65/96/490936596.db2.gz LLZFTXHKWFTXTP-UHFFFAOYSA-N -1 3 356.426 0.811 10 0 FCAEHM CCN(Cc1cn(C)nn1)C(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000543832948 490949215 /nfs/dbraw/zinc/94/92/15/490949215.db2.gz PQEJMVAXWQDCBP-KRWDZBQOSA-N -1 3 356.386 0.532 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC[C@@]3(CCCOC3)C2)c1 ZINC000531524490 490962211 /nfs/dbraw/zinc/96/22/11/490962211.db2.gz YGEUMFDGHNUYRZ-OAHLLOKOSA-N -1 3 356.448 0.118 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCC[C@H]2COCC[C@H]21 ZINC000532052698 490984459 /nfs/dbraw/zinc/98/44/59/490984459.db2.gz QWNNPIJFJBJSCJ-GXSJLCMTSA-N -1 3 372.219 0.739 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C(N)=O)C1 ZINC000532196267 490989499 /nfs/dbraw/zinc/98/94/99/490989499.db2.gz CSJLDOCLXYJYSK-WDEREUQCSA-N -1 3 360.457 0.413 10 0 FCAEHM COC(=O)[C@@H]([N-]S(=O)(=O)CCCS(C)(=O)=O)C1CCCCC1 ZINC000532297663 490990616 /nfs/dbraw/zinc/99/06/16/490990616.db2.gz QAWNKLHCVPLDDM-LBPRGKRZSA-N -1 3 355.478 0.462 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@H]2CCC[C@H](C(N)=O)C2)s1 ZINC000532591800 490994649 /nfs/dbraw/zinc/99/46/49/490994649.db2.gz LHDDNATVCOXHJI-UWVGGRQHSA-N -1 3 374.488 0.500 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-]C[C@H](CO)c2cccnc2)s1 ZINC000553904498 491163125 /nfs/dbraw/zinc/16/31/25/491163125.db2.gz AOASACUCVSXIGU-CYBMUJFWSA-N -1 3 369.468 0.834 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-]C[C@@H](CO)c2cccnc2)s1 ZINC000553904502 491163292 /nfs/dbraw/zinc/16/32/92/491163292.db2.gz AOASACUCVSXIGU-ZDUSSCGKSA-N -1 3 369.468 0.834 10 0 FCAEHM CCNC(=O)N(C)c1cccc(NC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)c1 ZINC000569547369 491167337 /nfs/dbraw/zinc/16/73/37/491167337.db2.gz FYDVZPZOSQTJLN-ZDUSSCGKSA-N -1 3 374.401 0.620 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000554164655 491181120 /nfs/dbraw/zinc/18/11/20/491181120.db2.gz CPWMZUIZEZILLZ-SNVBAGLBSA-N -1 3 374.166 0.290 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000554164654 491181259 /nfs/dbraw/zinc/18/12/59/491181259.db2.gz CPWMZUIZEZILLZ-JTQLQIEISA-N -1 3 374.166 0.290 10 0 FCAEHM CCN(CC)CCS(=O)(=O)[N-][C@@H]1CCCN(c2cccnc2)C1=O ZINC000572412260 491368575 /nfs/dbraw/zinc/36/85/75/491368575.db2.gz YLXWXFMZJNOINP-OAHLLOKOSA-N -1 3 354.476 0.838 10 0 FCAEHM CNC(=O)[C@H](C[N-]S(=O)(=O)c1ccn(C)n1)Cc1ccc(F)cc1C ZINC000572635961 491383208 /nfs/dbraw/zinc/38/32/08/491383208.db2.gz OMNPWRTWZWXNBB-ZDUSSCGKSA-N -1 3 368.434 0.751 10 0 FCAEHM CCCCNC(=O)Cn1cc(I)c(=O)[n-]c1=O ZINC000565609128 491388062 /nfs/dbraw/zinc/38/80/62/491388062.db2.gz HFQJJUPIXZWEJP-UHFFFAOYSA-N -1 3 351.144 0.470 10 0 FCAEHM COc1cc(C(=O)NC[C@H]2CCCCN2S(C)(=O)=O)cc(OC)c1[O-] ZINC000557684871 491391102 /nfs/dbraw/zinc/39/11/02/491391102.db2.gz LFNIBRLHMXKAFM-GFCCVEGCSA-N -1 3 372.443 0.953 10 0 FCAEHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)CC(C)(C)C(=O)OC)[C@@H]1n1cccn1 ZINC000572903357 491401147 /nfs/dbraw/zinc/40/11/47/491401147.db2.gz NCNZCMIXAFPBAA-XQQFMLRXSA-N -1 3 359.448 0.720 10 0 FCAEHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H](CF)C(=O)OC)c1 ZINC000557864130 491401843 /nfs/dbraw/zinc/40/18/43/491401843.db2.gz XRCYTDMKRHHMSB-NSHDSACASA-N -1 3 351.327 0.792 10 0 FCAEHM COC(C)(C)CS(=O)(=O)[N-][C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000572922642 491401868 /nfs/dbraw/zinc/40/18/68/491401868.db2.gz VTJVKVFUVOOFNS-GFCCVEGCSA-N -1 3 358.464 0.256 10 0 FCAEHM COC(=O)CC1(NC(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)CC1 ZINC000565898921 491406550 /nfs/dbraw/zinc/40/65/50/491406550.db2.gz VPUMETFKAZPLQR-UHFFFAOYSA-N -1 3 357.366 0.470 10 0 FCAEHM CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000558216812 491420695 /nfs/dbraw/zinc/42/06/95/491420695.db2.gz KCZOGVSYWJNNCQ-GFCCVEGCSA-N -1 3 374.438 0.601 10 0 FCAEHM COC[C@@](C)(O)CC[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000566490588 491447702 /nfs/dbraw/zinc/44/77/02/491447702.db2.gz KIHMQQGXPZSUFQ-ZDUSSCGKSA-N -1 3 351.446 0.156 10 0 FCAEHM CS(=O)(=O)c1cccnc1C[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC000558938695 491449149 /nfs/dbraw/zinc/44/91/49/491449149.db2.gz XIARKSCCGQLZCR-UHFFFAOYSA-N -1 3 356.429 0.106 10 0 FCAEHM CC(C)c1nc([C@@H]2COCCN2C(=O)c2cc(=O)[n-]c(N(C)C)n2)no1 ZINC000558979639 491450613 /nfs/dbraw/zinc/45/06/13/491450613.db2.gz QKQHBTZSDKBZLA-NSHDSACASA-N -1 3 362.390 0.968 10 0 FCAEHM O=C(NCCCc1cc(=O)[nH][n-]1)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000673544319 493343729 /nfs/dbraw/zinc/34/37/29/493343729.db2.gz XSKRTVCQBOLYJI-ZDUSSCGKSA-N -1 3 352.460 0.850 10 0 FCAEHM COc1cc(C(=O)N2CCC[C@H]2c2nc(=N)n(C)[n-]2)cc2c1OCCO2 ZINC000559256354 491458576 /nfs/dbraw/zinc/45/85/76/491458576.db2.gz DFBSFHBZXMDEJR-NSHDSACASA-N -1 3 359.386 0.985 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)CCNC(=O)Cc2ccccc2)nc1=N ZINC000559258436 491458855 /nfs/dbraw/zinc/45/88/55/491458855.db2.gz TXQMTZVYZDTHEY-AWEZNQCLSA-N -1 3 356.430 0.640 10 0 FCAEHM COCC[C@H](COC)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000574083506 491473815 /nfs/dbraw/zinc/47/38/15/491473815.db2.gz CSYRXGAQMAJUAD-SNVBAGLBSA-N -1 3 369.436 0.559 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)C[C@H](NC(N)=O)c2ccccc2)nc1=N ZINC000574284772 491486673 /nfs/dbraw/zinc/48/66/73/491486673.db2.gz WFNKUGNCLRGFMR-STQMWFEESA-N -1 3 357.418 0.691 10 0 FCAEHM CN(C(=O)CC[N-]S(=O)(=O)c1cccs1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000574605755 491508114 /nfs/dbraw/zinc/50/81/14/491508114.db2.gz PVZHXZUXJAZAFR-OLZOCXBDSA-N -1 3 373.500 0.348 10 0 FCAEHM Cc1ccc(C(=O)NCC(=O)N2CCC[C@H]2c2nc(=N)n(C)[n-]2)cc1C ZINC000567478547 491508484 /nfs/dbraw/zinc/50/84/84/491508484.db2.gz YGHCEVVLBLFEQM-AWEZNQCLSA-N -1 3 356.430 0.938 10 0 FCAEHM C[C@H]1CCCc2nc(S(=O)(=O)[N-][C@@H]3CCN(S(C)(=O)=O)C3)cn21 ZINC000567507467 491510774 /nfs/dbraw/zinc/51/07/74/491510774.db2.gz DEGMDIFLAUSEIW-WDEREUQCSA-N -1 3 362.477 0.093 10 0 FCAEHM O=C(CSc1nc2ccccc2[nH]1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000560007241 491513984 /nfs/dbraw/zinc/51/39/84/491513984.db2.gz MPNWIYDQYYGFLF-MRXNPFEDSA-N -1 3 359.411 0.856 10 0 FCAEHM CCN(CC)CCN(CCOC)C(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000567867095 491536074 /nfs/dbraw/zinc/53/60/74/491536074.db2.gz GHLMKDCVOVGRDV-LSDHHAIUSA-N -1 3 371.478 0.372 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)CNC(=O)Cc2cccc(F)c2)nc1=N ZINC000567964836 491543925 /nfs/dbraw/zinc/54/39/25/491543925.db2.gz FFADIRAKBDVJQJ-ZDUSSCGKSA-N -1 3 360.393 0.389 10 0 FCAEHM CCc1n[n-]c(S(=O)(=O)CC(=O)NCc2cnn(-c3ccccc3)c2)n1 ZINC000575206811 491545993 /nfs/dbraw/zinc/54/59/93/491545993.db2.gz AZAPUIKFPRXBJN-UHFFFAOYSA-N -1 3 374.426 0.643 10 0 FCAEHM CCc1nnc(S(=O)(=O)CC(=O)NCc2cnn(-c3ccccc3)c2)[n-]1 ZINC000575206811 491545994 /nfs/dbraw/zinc/54/59/94/491545994.db2.gz AZAPUIKFPRXBJN-UHFFFAOYSA-N -1 3 374.426 0.643 10 0 FCAEHM CCN1CCN(C(=O)CNC(=O)c2c[n-]c3nc(C)ccc3c2=O)CC1 ZINC000560743651 491554599 /nfs/dbraw/zinc/55/45/99/491554599.db2.gz MMHXXHXBOOTBRH-UHFFFAOYSA-N -1 3 357.414 0.538 10 0 FCAEHM CCN1CCN(C(=O)CNC(=O)c2cnc3nc(C)ccc3c2[O-])CC1 ZINC000560743651 491554600 /nfs/dbraw/zinc/55/46/00/491554600.db2.gz MMHXXHXBOOTBRH-UHFFFAOYSA-N -1 3 357.414 0.538 10 0 FCAEHM COc1c(NC(=O)CN2CC(=O)[N-]C2=O)cc(Cl)cc1C(=O)N(C)C ZINC000560839524 491559704 /nfs/dbraw/zinc/55/97/04/491559704.db2.gz QMXDBHZUHAHCGL-UHFFFAOYSA-N -1 3 368.777 0.541 10 0 FCAEHM C[C@@]1(F)CNCCN(C(=O)NCC[N-]S(=O)(=O)c2cccs2)C1 ZINC000568231811 491561849 /nfs/dbraw/zinc/56/18/49/491561849.db2.gz OKMCJWPXRKQDCF-CYBMUJFWSA-N -1 3 364.468 0.369 10 0 FCAEHM Cc1ccccc1[C@@H]1C(=O)NCCN1C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000683417875 493351592 /nfs/dbraw/zinc/35/15/92/493351592.db2.gz ICWCPFWVFUTYFJ-OAHLLOKOSA-N -1 3 355.398 0.870 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)CN2C(=O)c3ccccc3C2=O)nc1=N ZINC000576113590 491582471 /nfs/dbraw/zinc/58/24/71/491582471.db2.gz OZLLEJZDQTXXGH-GFCCVEGCSA-N -1 3 354.370 0.187 10 0 FCAEHM Cc1cccc2c1ncn(CC(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1)c2=O ZINC000568636094 491595798 /nfs/dbraw/zinc/59/57/98/491595798.db2.gz YOJNGYQGEOIJEI-CYBMUJFWSA-N -1 3 367.413 0.610 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)c2ccc(NS(C)(=O)=O)cc2)nc1=N ZINC000577380363 491616692 /nfs/dbraw/zinc/61/66/92/491616692.db2.gz XRKRGCDNKJLUPP-LBPRGKRZSA-N -1 3 364.431 0.576 10 0 FCAEHM Cn1cc(NC(=O)c2cnc([O-])c(Br)c2)c(=O)n(C)c1=O ZINC000576506971 491620572 /nfs/dbraw/zinc/62/05/72/491620572.db2.gz ZJUKZAYJERXVHW-UHFFFAOYSA-N -1 3 355.148 0.199 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H]1C[C@H]2CCCCN2C1=O ZINC000576568016 491625391 /nfs/dbraw/zinc/62/53/91/491625391.db2.gz CUIALJHWRMTKDR-NEPJUHHUSA-N -1 3 372.468 0.522 10 0 FCAEHM CCn1c(C)nnc1Cn1cc(I)c(=O)[n-]c1=O ZINC000578027129 491668297 /nfs/dbraw/zinc/66/82/97/491668297.db2.gz PDMUXEPVBWNGHR-UHFFFAOYSA-N -1 3 361.143 0.522 10 0 FCAEHM COC(=O)c1ncccc1S(=O)(=O)[N-]CC1(O)Cc2ccccc2C1 ZINC000578218037 491672451 /nfs/dbraw/zinc/67/24/51/491672451.db2.gz FKSUERDXGZXPDT-UHFFFAOYSA-N -1 3 362.407 0.676 10 0 FCAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CCCN1CCCC1=O ZINC000579216543 491693183 /nfs/dbraw/zinc/69/31/83/491693183.db2.gz BQHYEXSLIHRZJL-SNVBAGLBSA-N -1 3 374.381 0.802 10 0 FCAEHM COCC[C@H](COC)NC(=O)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000579778300 491705185 /nfs/dbraw/zinc/70/51/85/491705185.db2.gz NWXBOFNSOFYSAX-KGLIPLIRSA-N -1 3 364.402 0.610 10 0 FCAEHM O=C(Cc1ccc(Br)cc1[O-])NCCCn1cc(CO)nn1 ZINC000580356938 491727975 /nfs/dbraw/zinc/72/79/75/491727975.db2.gz XZRVEQCEEFTUBF-UHFFFAOYSA-N -1 3 369.219 0.988 10 0 FCAEHM Cc1noc(CCNC(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)n1 ZINC000586323475 491730992 /nfs/dbraw/zinc/73/09/92/491730992.db2.gz RPUJLJSPBYUZIN-UHFFFAOYSA-N -1 3 359.386 0.794 10 0 FCAEHM COc1ccc(S(=O)(=O)NCC[C@@H](C)F)cc1[C@@]1(C)NC(=O)[N-]C1=O ZINC000580585871 491737382 /nfs/dbraw/zinc/73/73/82/491737382.db2.gz XNZNMIKAIAQCPY-RFAUZJTJSA-N -1 3 373.406 0.776 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)NC[C@H]2CC23CCSCC3)cn1C ZINC000580827518 491747478 /nfs/dbraw/zinc/74/74/78/491747478.db2.gz WOQZDWTUQJULQV-GFCCVEGCSA-N -1 3 372.516 0.656 10 0 FCAEHM Cn1ccc(NC(=O)C[N-]S(=O)(=O)C[C@H]2CCCCC2(F)F)n1 ZINC000580874595 491749606 /nfs/dbraw/zinc/74/96/06/491749606.db2.gz IIIULIHGHLDKPB-SNVBAGLBSA-N -1 3 350.391 1.104 10 0 FCAEHM CS(=O)(=O)N1CC[C@H]([N-]S(=O)(=O)c2cnccc2C(F)(F)F)C1 ZINC000581196124 491763481 /nfs/dbraw/zinc/76/34/81/491763481.db2.gz UZTWQFZZXBCCSI-QMMMGPOBSA-N -1 3 373.378 0.413 10 0 FCAEHM Cn1[n-]c(CN2CCN(CCOc3ccc(Cl)cc3)CC2)nc1=O ZINC000581455406 491773816 /nfs/dbraw/zinc/77/38/16/491773816.db2.gz HVTBLJWALDBSGU-UHFFFAOYSA-N -1 3 351.838 0.958 10 0 FCAEHM CCc1csc(-n2cc(C(=O)N3CCC[C@]4(C3)NC(=O)[N-]C4=O)cn2)n1 ZINC000581706260 491783556 /nfs/dbraw/zinc/78/35/56/491783556.db2.gz SFXCRLYPGDHWCV-MRXNPFEDSA-N -1 3 374.426 0.705 10 0 FCAEHM CCc1nc(CNC(=O)C[N-]S(=O)(=O)c2c(C)noc2C)cs1 ZINC000582092726 491797622 /nfs/dbraw/zinc/79/76/22/491797622.db2.gz FBXXKJANSRYLAD-UHFFFAOYSA-N -1 3 358.445 0.905 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CCS(=O)(=O)CC1 ZINC000591196239 491798638 /nfs/dbraw/zinc/79/86/38/491798638.db2.gz ZQSSRRAGSLHYID-UHFFFAOYSA-N -1 3 350.400 0.422 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-][C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c1 ZINC000673825936 493364802 /nfs/dbraw/zinc/36/48/02/493364802.db2.gz ROVABXSEIVSXNN-PWSUYJOCSA-N -1 3 352.420 0.109 10 0 FCAEHM Cc1cccn2c1ncc(C(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1)c2=O ZINC000582306520 491806689 /nfs/dbraw/zinc/80/66/89/491806689.db2.gz RYXXZFLNLRNOBW-GFCCVEGCSA-N -1 3 353.386 0.521 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N2CC(C)(CO)C2)CCCC1 ZINC000582829486 491828215 /nfs/dbraw/zinc/82/82/15/491828215.db2.gz MGDIGLFHJKSZJZ-UHFFFAOYSA-N -1 3 371.459 0.723 10 0 FCAEHM CC[C@H]1C[C@@H](NS(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)CCO1 ZINC000582838860 491828826 /nfs/dbraw/zinc/82/88/26/491828826.db2.gz UERNAYXRZLVCQU-UWVGGRQHSA-N -1 3 368.415 0.270 10 0 FCAEHM COC(=O)C[C@@]1([N-]S(=O)(=O)C[C@H](OC)C2CCOCC2)CCOC1 ZINC000592047448 491829378 /nfs/dbraw/zinc/82/93/78/491829378.db2.gz XBQRSRHGOKCUPH-ZFWWWQNUSA-N -1 3 365.448 0.070 10 0 FCAEHM CNC(=O)[C@H](CCSC)[N-]S(=O)(=O)C[C@H](OC)C1CCOCC1 ZINC000592051891 491829781 /nfs/dbraw/zinc/82/97/81/491829781.db2.gz CVYYCZMGMYMHLP-STQMWFEESA-N -1 3 368.521 0.215 10 0 FCAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CCCc1ncn(C)n1 ZINC000592069177 491830174 /nfs/dbraw/zinc/83/01/74/491830174.db2.gz MSWRQLZXDOUJPE-VIFPVBQESA-N -1 3 372.369 0.551 10 0 FCAEHM CCOc1ccncc1S(=O)(=O)[N-][C@@H](C(=O)OC)c1ccnn1C ZINC000592098419 491832096 /nfs/dbraw/zinc/83/20/96/491832096.db2.gz VGIGTYVZTORDLG-CYBMUJFWSA-N -1 3 354.388 0.406 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CC[C@H](C)S(=O)(=O)C2)oc1C ZINC000594848631 491866121 /nfs/dbraw/zinc/86/61/21/491866121.db2.gz GTNWTYQJEKNQMN-WCBMZHEXSA-N -1 3 365.429 0.619 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CC[C@H](C)S(=O)(=O)C2)c(C)o1 ZINC000594849893 491866515 /nfs/dbraw/zinc/86/65/15/491866515.db2.gz RBDHPWFEOVBDDC-WCBMZHEXSA-N -1 3 365.429 0.619 10 0 FCAEHM CNC(=O)c1ccc(CS(=O)(=O)[N-][C@@](C)(CCF)C(=O)OC)cc1 ZINC000594864261 491868097 /nfs/dbraw/zinc/86/80/97/491868097.db2.gz DUGNQZSRSQMCHJ-HNNXBMFYSA-N -1 3 360.407 0.757 10 0 FCAEHM COc1cc(CCC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)cc(OC)c1O ZINC000611957245 491885940 /nfs/dbraw/zinc/88/59/40/491885940.db2.gz VSPUBZGRYUQKEK-LLVKDONJSA-N -1 3 363.370 0.105 10 0 FCAEHM CNC(=O)[C@@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000600763541 491881271 /nfs/dbraw/zinc/88/12/71/491881271.db2.gz OJBGGKVCEHSLRD-LBPRGKRZSA-N -1 3 357.407 0.149 10 0 FCAEHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N1CC[C@H](Cn2ccnn2)C1 ZINC000595078881 491882820 /nfs/dbraw/zinc/88/28/20/491882820.db2.gz BNODZOUPKCZBJA-JTQLQIEISA-N -1 3 363.399 0.613 10 0 FCAEHM Cn1ccc(Nc2ccc(C(=O)N3CCN4C(=O)[N-]C(=O)[C@@H]4C3)cc2)n1 ZINC000611954490 491885087 /nfs/dbraw/zinc/88/50/87/491885087.db2.gz CCTZPFWQPHIXPL-ZDUSSCGKSA-N -1 3 354.370 0.540 10 0 FCAEHM COC(=O)[C@@H](C[C@H]1CCCOC1)NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000600839674 491886526 /nfs/dbraw/zinc/88/65/26/491886526.db2.gz XVUMUVKRAKMNCU-IUODEOHRSA-N -1 3 364.398 0.597 10 0 FCAEHM COC[C@](C)([N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C)C(=O)OC ZINC000601369101 491909598 /nfs/dbraw/zinc/90/95/98/491909598.db2.gz IYGFSISYOHROCD-JTQLQIEISA-N -1 3 359.326 0.295 10 0 FCAEHM CO[C@H](C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-])[C@@H]1CCOC1 ZINC000613029494 491963632 /nfs/dbraw/zinc/96/36/32/491963632.db2.gz XPWLVBCZTUHDTE-ABAIWWIYSA-N -1 3 370.427 0.922 10 0 FCAEHM O=C(C1CCC1)N1CCN(CC[N-]S(=O)(=O)c2cccs2)CC1 ZINC000602897878 492004120 /nfs/dbraw/zinc/00/41/20/492004120.db2.gz RDSJFEWUJJZNGZ-UHFFFAOYSA-N -1 3 357.501 0.971 10 0 FCAEHM Cc1nc(NC(=O)c2cc(F)cc3[n-]nnc32)c(C(=O)NCCO)n1C ZINC000613982390 492007959 /nfs/dbraw/zinc/00/79/59/492007959.db2.gz GIRGXGMHTJETSZ-UHFFFAOYSA-N -1 3 361.337 0.113 10 0 FCAEHM Cc1nc(NC(=O)c2cc(F)cc3nn[n-]c32)c(C(=O)NCCO)n1C ZINC000613982390 492007963 /nfs/dbraw/zinc/00/79/63/492007963.db2.gz GIRGXGMHTJETSZ-UHFFFAOYSA-N -1 3 361.337 0.113 10 0 FCAEHM Cc1nc(NC(=O)c2cc(F)cc3n[n-]nc32)c(C(=O)NCCO)n1C ZINC000613982390 492007966 /nfs/dbraw/zinc/00/79/66/492007966.db2.gz GIRGXGMHTJETSZ-UHFFFAOYSA-N -1 3 361.337 0.113 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)c2cnn(-c3ccccc3)c2N)nc1=N ZINC000614427067 492029370 /nfs/dbraw/zinc/02/93/70/492029370.db2.gz KQQXIJWTDKBDCF-CYBMUJFWSA-N -1 3 352.402 0.973 10 0 FCAEHM CN1CCN(c2cc(C(=O)N3CCC(c4n[n-]c(=O)o4)CC3)ccn2)CC1 ZINC000614472673 492031997 /nfs/dbraw/zinc/03/19/97/492031997.db2.gz CWONUOVDHJCSPX-UHFFFAOYSA-N -1 3 372.429 0.942 10 0 FCAEHM CCOC(=O)c1ccc(NC(=O)C2(n3cnnn3)CCOCC2)c([O-])c1 ZINC000597441157 492038534 /nfs/dbraw/zinc/03/85/34/492038534.db2.gz LJOSPUOVCWJSSZ-UHFFFAOYSA-N -1 3 361.358 0.700 10 0 FCAEHM C[C@@]1(C[C@@H]2CCCN2C(=O)CN2C(=O)Cc3ccccc32)NC(=O)[N-]C1=O ZINC000614729998 492050744 /nfs/dbraw/zinc/05/07/44/492050744.db2.gz SKLWRFNJYYMLHZ-DJJJIMSYSA-N -1 3 370.409 0.555 10 0 FCAEHM CC(C)(C)OC(=O)[C@]1(NC(=O)CNC(=O)c2cccc([O-])c2)CCOC1 ZINC000598167340 492086856 /nfs/dbraw/zinc/08/68/56/492086856.db2.gz MMVAMNMLFNGEBO-SFHVURJKSA-N -1 3 364.398 0.739 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-]CCC2CS(=O)(=O)C2)oc1C ZINC000615747328 492101015 /nfs/dbraw/zinc/10/10/15/492101015.db2.gz LAGWWROWGAMIER-UHFFFAOYSA-N -1 3 351.402 0.088 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCC[C@H]1c1cn[nH]c1 ZINC000615899490 492106488 /nfs/dbraw/zinc/10/64/88/492106488.db2.gz OMXDUMJEFRQUDI-JTQLQIEISA-N -1 3 368.191 0.798 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)c2ccc(C)c(S(C)(=O)=O)c2)[n-]1 ZINC000615920207 492108079 /nfs/dbraw/zinc/10/80/79/492108079.db2.gz PCLBZPUYFVUVEN-UHFFFAOYSA-N -1 3 366.399 0.623 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)[C@H]2CSCN2C(=O)[C@H](C)CC)[n-]1 ZINC000616030161 492114935 /nfs/dbraw/zinc/11/49/35/492114935.db2.gz VXHWWWQNELPDSA-NXEZZACHSA-N -1 3 369.447 0.545 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)c2ccnc(OCC(F)F)c2)[n-]1 ZINC000616174036 492119989 /nfs/dbraw/zinc/11/99/89/492119989.db2.gz VYEOKRGQQADZQH-UHFFFAOYSA-N -1 3 355.301 0.950 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)N[C@H]1CCNC(=O)CC1 ZINC000616363459 492127799 /nfs/dbraw/zinc/12/77/99/492127799.db2.gz UVVFCRQMIZINMN-LLVKDONJSA-N -1 3 357.407 0.279 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]C[C@H](O)C2CCOCC2)on1 ZINC000599239419 492147419 /nfs/dbraw/zinc/14/74/19/492147419.db2.gz CDZKETKJUBRGHB-ZDUSSCGKSA-N -1 3 362.404 0.058 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]CCN(C)CC(F)(F)F)on1 ZINC000599244802 492148182 /nfs/dbraw/zinc/14/81/82/492148182.db2.gz OKXWGXZAZGDZAS-UHFFFAOYSA-N -1 3 373.353 0.765 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@H](C)CO[C@H]2CCOC2)on1 ZINC000599255380 492149763 /nfs/dbraw/zinc/14/97/63/492149763.db2.gz AEFNXILJGQQDBE-MNOVXSKESA-N -1 3 362.404 0.465 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]CC2(N3CCOCC3)CC2)on1 ZINC000599287851 492154544 /nfs/dbraw/zinc/15/45/44/492154544.db2.gz XVLXKSXJYMEJSP-UHFFFAOYSA-N -1 3 373.431 0.136 10 0 FCAEHM CO[C@@H](CNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F)[C@@H]1CCOC1 ZINC000617137473 492156492 /nfs/dbraw/zinc/15/64/92/492156492.db2.gz FFRHCDNGSOVQPX-SCRDCRAPSA-N -1 3 374.434 0.660 10 0 FCAEHM CO[C@H](CNC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)[C@H]1CCOC1 ZINC000617148491 492156913 /nfs/dbraw/zinc/15/69/13/492156913.db2.gz RVFFUETVPDVMDA-SDDRHHMPSA-N -1 3 362.473 0.583 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]CC(C)(C)OCCO)on1 ZINC000599313796 492158991 /nfs/dbraw/zinc/15/89/91/492158991.db2.gz CEZHCJXYPJRHNW-UHFFFAOYSA-N -1 3 350.393 0.058 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]CCc2cnc(C)cn2)on1 ZINC000599323160 492160239 /nfs/dbraw/zinc/16/02/39/492160239.db2.gz GJBJHLXETDNNNS-UHFFFAOYSA-N -1 3 354.388 0.612 10 0 FCAEHM C[C@]1(c2ccc(C(=O)N3CC[C@@H](Cn4ccnn4)C3)cc2)NC(=O)[N-]C1=O ZINC000617260540 492161453 /nfs/dbraw/zinc/16/14/53/492161453.db2.gz WXZKVUKMDUGNFU-KZULUSFZSA-N -1 3 368.397 0.495 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]C[C@@H](OC)[C@@H]2CCOC2)on1 ZINC000599338474 492162092 /nfs/dbraw/zinc/16/20/92/492162092.db2.gz SATAOHYLNWVQJM-ZWNOBZJWSA-N -1 3 362.404 0.322 10 0 FCAEHM COC(=O)[C@H]1OCC[C@H]1[N-]S(=O)(=O)C[C@@H](OC)c1ccc(F)cc1 ZINC000599350747 492163526 /nfs/dbraw/zinc/16/35/26/492163526.db2.gz AKCRDHBPCRQISL-MCIONIFRSA-N -1 3 361.391 0.763 10 0 FCAEHM O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000599356450 492163731 /nfs/dbraw/zinc/16/37/31/492163731.db2.gz SSVVKDSUAALCDW-KBPBESRZSA-N -1 3 368.397 0.658 10 0 FCAEHM O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000599356450 492163733 /nfs/dbraw/zinc/16/37/33/492163733.db2.gz SSVVKDSUAALCDW-KBPBESRZSA-N -1 3 368.397 0.658 10 0 FCAEHM Cc1cc(F)ccc1C[C@H](C)NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000617321860 492164169 /nfs/dbraw/zinc/16/41/69/492164169.db2.gz KITTVGASSBHWGI-LBPRGKRZSA-N -1 3 368.434 0.893 10 0 FCAEHM CC[C@@H](COCC1CC1)NC(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000617328727 492164217 /nfs/dbraw/zinc/16/42/17/492164217.db2.gz NOQALBIJSFHJQG-ZDUSSCGKSA-N -1 3 358.464 0.328 10 0 FCAEHM COC[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccccc1F)C1CCOCC1 ZINC000617377373 492166044 /nfs/dbraw/zinc/16/60/44/492166044.db2.gz ZXLQXGWYXMESID-CQSZACIVSA-N -1 3 374.434 0.662 10 0 FCAEHM C[C@@H]1C[C@@H](NC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)c2ncnn21 ZINC000617428724 492168106 /nfs/dbraw/zinc/16/81/06/492168106.db2.gz WKDITZOASPODFQ-ZWNOBZJWSA-N -1 3 354.370 0.906 10 0 FCAEHM COC(=O)[C@@H](Cc1cccc(OC)c1)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000599403212 492168699 /nfs/dbraw/zinc/16/86/99/492168699.db2.gz CXRRCEBLIPNWKS-UKRRQHHQSA-N -1 3 357.428 0.735 10 0 FCAEHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H]1CCN(C2CCC2)C1=O ZINC000599526361 492183744 /nfs/dbraw/zinc/18/37/44/492183744.db2.gz TXQAVDWJEVLIHM-SNVBAGLBSA-N -1 3 358.441 0.966 10 0 FCAEHM CO[C@]1(CO)CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000617801814 492192538 /nfs/dbraw/zinc/19/25/38/492192538.db2.gz WYLOGYYACALKMQ-HNAYVOBHSA-N -1 3 362.426 0.997 10 0 FCAEHM COCC1(C2CCC2)CN(C(=O)C[N-]S(=O)(=O)c2cn(C)c(C)n2)C1 ZINC000617982785 492208100 /nfs/dbraw/zinc/20/81/00/492208100.db2.gz SRHAWRJZNLWXBF-UHFFFAOYSA-N -1 3 370.475 0.282 10 0 FCAEHM C[C@@]12COC[C@]1(C)CN(C(=O)Cn1cc(Br)c(=O)[n-]c1=O)C2 ZINC000618024213 492209052 /nfs/dbraw/zinc/20/90/52/492209052.db2.gz RGQRERJNLYNPIC-OKILXGFUSA-N -1 3 372.219 0.596 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(S(=O)(=O)N(C)C3CC3)CC2)n[n-]1 ZINC000618189900 492214850 /nfs/dbraw/zinc/21/48/50/492214850.db2.gz UBWUHISPEXCCIX-UHFFFAOYSA-N -1 3 357.436 0.500 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(S(=O)(=O)N(C)C3CC3)CC2)[n-]1 ZINC000618189900 492214852 /nfs/dbraw/zinc/21/48/52/492214852.db2.gz UBWUHISPEXCCIX-UHFFFAOYSA-N -1 3 357.436 0.500 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCC[C@@](O)(C2CC2)C1 ZINC000618284777 492219850 /nfs/dbraw/zinc/21/98/50/492219850.db2.gz CXCNNGBHVAIJDW-AWEZNQCLSA-N -1 3 372.219 0.475 10 0 FCAEHM CCOC(=O)Cn1cnc([N-]C(=O)c2cc(S(C)(=O)=O)oc2C)n1 ZINC000600037379 492235256 /nfs/dbraw/zinc/23/52/56/492235256.db2.gz IADHSYGWTILSMR-UHFFFAOYSA-N -1 3 356.360 0.398 10 0 FCAEHM C[C@@]12COC[C@@H]1CN(C(=O)CC[N-]S(=O)(=O)c1ccccc1F)C2 ZINC000618727234 492236622 /nfs/dbraw/zinc/23/66/22/492236622.db2.gz RONHOCHTFWALRV-BLLLJJGKSA-N -1 3 356.419 0.989 10 0 FCAEHM C[C@@]12COC[C@@H]1CN(C(=O)CNC(=O)c1c[n-]c3ccccc3c1=O)C2 ZINC000618721720 492236632 /nfs/dbraw/zinc/23/66/32/492236632.db2.gz HBCVAVXKUYUYNN-HXPMCKFVSA-N -1 3 355.394 0.753 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CC[C@@]2(O)C[C@H]2C1 ZINC000618753002 492237011 /nfs/dbraw/zinc/23/70/11/492237011.db2.gz PMGIVFQZPJLADC-QPUJVOFHSA-N -1 3 350.849 0.663 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccn(C3CCOCC3)n2)cn1 ZINC000618907018 492242558 /nfs/dbraw/zinc/24/25/58/492242558.db2.gz NORFIBMUJFSLEE-UHFFFAOYSA-N -1 3 365.415 0.790 10 0 FCAEHM COC(=O)c1ccc(NC(=O)CN2CC(=O)[N-]C2=O)c(OCC(F)F)c1 ZINC000600305255 492258213 /nfs/dbraw/zinc/25/82/13/492258213.db2.gz OYEFFAXTDUFWLH-UHFFFAOYSA-N -1 3 371.296 0.607 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCC1CCC(O)CC1 ZINC000619420519 492262484 /nfs/dbraw/zinc/26/24/84/492262484.db2.gz YUDHNXRPXBIUJB-UHFFFAOYSA-N -1 3 360.208 0.379 10 0 FCAEHM COC(=O)[C@@H](C)Oc1ccc(NC(=O)CC[C@H]2NC(=O)[N-]C2=O)cc1F ZINC000600344967 492263472 /nfs/dbraw/zinc/26/34/72/492263472.db2.gz PSCBFULWROIERX-LDYMZIIASA-N -1 3 367.333 0.693 10 0 FCAEHM COC(=O)C[C@@H](O)CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000600462267 492271884 /nfs/dbraw/zinc/27/18/84/492271884.db2.gz XYUHEPIXGALYLJ-DGCLKSJQSA-N -1 3 350.371 0.037 10 0 FCAEHM CSC[C@H](CCO)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000611188171 492280894 /nfs/dbraw/zinc/28/08/94/492280894.db2.gz DSPLQQYRRAMGIX-QWRGUYRKSA-N -1 3 364.464 0.723 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](N(C)C(=O)N(C)C)C2)c(C)o1 ZINC000619980920 492285277 /nfs/dbraw/zinc/28/52/77/492285277.db2.gz CTPQVKTWDWWMSE-NSHDSACASA-N -1 3 372.447 0.324 10 0 FCAEHM NCc1cc(=O)[n-]c(CNC(=O)C(=O)NCC(C2CCC2)C2CCC2)n1 ZINC000627430004 492293062 /nfs/dbraw/zinc/29/30/62/492293062.db2.gz IBTXXDCHIPJORN-UHFFFAOYSA-N -1 3 361.446 0.590 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000634028303 492314680 /nfs/dbraw/zinc/31/46/80/492314680.db2.gz FXEIPQFQLZJFJD-SWHYSGLUSA-N -1 3 364.199 0.755 10 0 FCAEHM CO[C@@H]1CN(C(=O)CC[N-]S(=O)(=O)c2ccccc2F)[C@@](C)(CO)C1 ZINC000634061638 492317956 /nfs/dbraw/zinc/31/79/56/492317956.db2.gz RLMHLNRTEYCQGF-BLLLJJGKSA-N -1 3 374.434 0.492 10 0 FCAEHM C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647581981 492324252 /nfs/dbraw/zinc/32/42/52/492324252.db2.gz WLFUTDKRVZMGBG-QKGCVVFFSA-N -1 3 353.463 0.839 10 0 FCAEHM CN(C)C1(CNC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)Cc2ccccc2C1 ZINC000647584793 492325348 /nfs/dbraw/zinc/32/53/48/492325348.db2.gz QDZKVQLROBRTSP-XJKSGUPXSA-N -1 3 373.453 0.571 10 0 FCAEHM CC[C@@H](C)c1cccc(NC(=O)C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)c1 ZINC000627527955 492332949 /nfs/dbraw/zinc/33/29/49/492332949.db2.gz VJYHHRPEHDRHAU-BXUZGUMPSA-N -1 3 358.398 0.901 10 0 FCAEHM CC(C)n1ncnc1CNC(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000647642674 492340474 /nfs/dbraw/zinc/34/04/74/492340474.db2.gz RZPWEXRVCBTCDK-UHFFFAOYSA-N -1 3 356.386 0.981 10 0 FCAEHM Cn1cc(C(=O)NCc2ccc(CN3CCOCC3)cc2)c(=O)[n-]c1=O ZINC000642251428 492345689 /nfs/dbraw/zinc/34/56/89/492345689.db2.gz KBDVMQFPDVBRNC-UHFFFAOYSA-N -1 3 358.398 0.248 10 0 FCAEHM C[C@@H](C[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C)c1nncn1C ZINC000634658370 492359405 /nfs/dbraw/zinc/35/94/05/492359405.db2.gz FSYYUMHBBJVYBF-ZETCQYMHSA-N -1 3 352.342 0.649 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H]1CCn2cncc2C1 ZINC000634660827 492359653 /nfs/dbraw/zinc/35/96/53/492359653.db2.gz CGPUEZQXDWIIMC-NSHDSACASA-N -1 3 355.441 0.580 10 0 FCAEHM Cc1ncccc1OC[C@H]1CCCN1Cc1cc(=O)n2nc(N)[n-]c2n1 ZINC000621302484 492373031 /nfs/dbraw/zinc/37/30/31/492373031.db2.gz FGXBYLRTLBPPKC-CYBMUJFWSA-N -1 3 355.402 0.577 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCc1cn(C)cn1 ZINC000655104004 492403577 /nfs/dbraw/zinc/40/35/77/492403577.db2.gz FNDLMYQLJKOHEP-NSHDSACASA-N -1 3 354.407 0.585 10 0 FCAEHM CC1(OCC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])CNC1 ZINC000648148995 492408511 /nfs/dbraw/zinc/40/85/11/492408511.db2.gz YWFZHFDVBAGJPK-UHFFFAOYSA-N -1 3 369.443 0.494 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CC2(CC2(F)F)C1 ZINC000655193084 492410444 /nfs/dbraw/zinc/41/04/44/492410444.db2.gz OSQUQPCEEONJLF-UHFFFAOYSA-N -1 3 350.119 0.579 10 0 FCAEHM CCn1nnc(C)c1CNC(=O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000627876579 492410713 /nfs/dbraw/zinc/41/07/13/492410713.db2.gz YVRNWECGXRUXBF-UHFFFAOYSA-N -1 3 369.422 0.730 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCCc1ncnn1C ZINC000627902294 492416295 /nfs/dbraw/zinc/41/62/95/492416295.db2.gz QKIPMFQSGPUEJE-SNVBAGLBSA-N -1 3 357.461 0.292 10 0 FCAEHM Cn1nnnc1CC[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000643211318 492431019 /nfs/dbraw/zinc/43/10/19/492431019.db2.gz GHHYMIZVPAXXPW-UHFFFAOYSA-N -1 3 367.765 0.986 10 0 FCAEHM Cn1nnc2c1CC[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])C2 ZINC000655303515 492432203 /nfs/dbraw/zinc/43/22/03/492432203.db2.gz SFLOJLVEAVZSID-MLGOLLRUSA-N -1 3 369.425 0.799 10 0 FCAEHM C[C@@]1(C[C@@H]2CCCN2C(=O)c2ccc(N3CCC3)nc2)NC(=O)[N-]C1=O ZINC000622049905 492447689 /nfs/dbraw/zinc/44/76/89/492447689.db2.gz WHQXHDHNUXWJDZ-UGSOOPFHSA-N -1 3 357.414 0.885 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)c(C)o1 ZINC000622080181 492451691 /nfs/dbraw/zinc/45/16/91/492451691.db2.gz HDNXSOQEUBUNHH-BZPMIXESSA-N -1 3 372.443 0.498 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)N1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000622080739 492451703 /nfs/dbraw/zinc/45/17/03/492451703.db2.gz OQLAQACNOQNIPK-XQQFMLRXSA-N -1 3 374.484 0.415 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCO[C@@](C)(C2CC2)C1 ZINC000622136746 492458303 /nfs/dbraw/zinc/45/83/03/492458303.db2.gz QWFSBACGAJTIAV-OAHLLOKOSA-N -1 3 357.432 0.597 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NC[C@@H](C)c1ccccn1 ZINC000622134423 492458358 /nfs/dbraw/zinc/45/83/58/492458358.db2.gz CXUOSVNCYLSBRC-SNVBAGLBSA-N -1 3 352.416 0.885 10 0 FCAEHM CO[C@@H]1CCC[C@H]([C@@H](CO)NC(=O)CNC(=O)c2ccc([O-])cc2)C1 ZINC000622138311 492458429 /nfs/dbraw/zinc/45/84/29/492458429.db2.gz OKCRCXMMFMBTRY-NUEKZKHPSA-N -1 3 350.415 0.804 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCC[C@@](O)(C2CC2)C1 ZINC000622162306 492460368 /nfs/dbraw/zinc/46/03/68/492460368.db2.gz DWQVTAOWGKFGIG-HNNXBMFYSA-N -1 3 357.432 0.333 10 0 FCAEHM COc1ccnc(CNC(=O)C[N-]S(=O)(=O)c2c(C)noc2C)c1F ZINC000622172187 492464372 /nfs/dbraw/zinc/46/43/72/492464372.db2.gz DEVWJQNYAJRGOL-UHFFFAOYSA-N -1 3 372.378 0.429 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NC[C@H]1C(C)(C)C1(F)F ZINC000622177272 492464438 /nfs/dbraw/zinc/46/44/38/492464438.db2.gz RPMRNHQUGKLLHS-VIFPVBQESA-N -1 3 351.375 0.977 10 0 FCAEHM CO[C@](C)(CO)CNS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000655621795 492465526 /nfs/dbraw/zinc/46/55/26/492465526.db2.gz HPHFDCLOBFWRJO-LBPRGKRZSA-N -1 3 361.811 0.196 10 0 FCAEHM CO[C@](C)(CO)CNS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000655621795 492465532 /nfs/dbraw/zinc/46/55/32/492465532.db2.gz HPHFDCLOBFWRJO-LBPRGKRZSA-N -1 3 361.811 0.196 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N[C@@H](c1ccccc1)[C@H](C)O ZINC000622185801 492465632 /nfs/dbraw/zinc/46/56/32/492465632.db2.gz QBNJEUNJRKIGBF-XHDPSFHLSA-N -1 3 367.427 0.808 10 0 FCAEHM CO[C@](C)(CO)C[N-]S(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1 ZINC000655622970 492465865 /nfs/dbraw/zinc/46/58/65/492465865.db2.gz YMOVSJKGMZQICP-ZANVPECISA-N -1 3 350.462 0.621 10 0 FCAEHM CO[C@@](C)(CO)C[N-]S(=O)(=O)c1ccc(CCNC(C)=O)s1 ZINC000655622531 492465887 /nfs/dbraw/zinc/46/58/87/492465887.db2.gz RJGQJPNIJIMCBO-CYBMUJFWSA-N -1 3 350.462 0.102 10 0 FCAEHM CC(=O)N1CC[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000622260323 492469474 /nfs/dbraw/zinc/46/94/74/492469474.db2.gz VXHGBEWVZICFEP-CMPLNLGQSA-N -1 3 357.407 0.230 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@H]2CCc3c(nnn3C)C2)coc1C(=O)N(C)C ZINC000655648550 492471860 /nfs/dbraw/zinc/47/18/60/492471860.db2.gz BMLVASKPXQSEKV-JTQLQIEISA-N -1 3 367.431 0.254 10 0 FCAEHM Cn1cnc(CCCNC(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)n1 ZINC000648985997 492481457 /nfs/dbraw/zinc/48/14/57/492481457.db2.gz PXPRVLZJXSTZBR-QGZVFWFLSA-N -1 3 356.386 0.232 10 0 FCAEHM Cc1ccc(-n2[n-]c(C(=O)N3CN(CCN(C)C)C(=O)[C@H]3C)cc2=O)cc1 ZINC000649074830 492490825 /nfs/dbraw/zinc/49/08/25/492490825.db2.gz QJOGNPBBQRKNAZ-CQSZACIVSA-N -1 3 371.441 0.666 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCN(c3nccnn3)CC2)cc1 ZINC000628378043 492496018 /nfs/dbraw/zinc/49/60/18/492496018.db2.gz UVWJLQFEVIZSHC-UHFFFAOYSA-N -1 3 362.415 0.206 10 0 FCAEHM CC(C)(CNC(=O)c1ccc([N-]S(C)(=O)=O)cc1)[C@]1(O)CCOC1 ZINC000649096129 492499002 /nfs/dbraw/zinc/49/90/02/492499002.db2.gz JLVJFPUXLDABNI-INIZCTEOSA-N -1 3 356.444 0.966 10 0 FCAEHM O=C(Nc1ccc(=O)n(CCO)c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000649114701 492501404 /nfs/dbraw/zinc/50/14/04/492501404.db2.gz DTKXLSBGOJYXIH-OAHLLOKOSA-N -1 3 371.393 0.790 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)N2CC(C3CC3)C2)ccc1F ZINC000643598361 492504722 /nfs/dbraw/zinc/50/47/22/492504722.db2.gz QLIPXSJZYJIZTJ-UHFFFAOYSA-N -1 3 355.391 0.541 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)NC[C@@H](O)[C@@H]1CCCO1 ZINC000628590072 492526974 /nfs/dbraw/zinc/52/69/74/492526974.db2.gz GYEVJQMIRHTMQO-OLZOCXBDSA-N -1 3 360.407 0.150 10 0 FCAEHM COc1cc(NC(=O)C[N-]S(=O)(=O)CCOC(C)C)cnc1OC ZINC000628641781 492532851 /nfs/dbraw/zinc/53/28/51/492532851.db2.gz JGTXVECLGIZKTI-UHFFFAOYSA-N -1 3 361.420 0.382 10 0 FCAEHM COc1cc(NC(=O)C[N-]S(=O)(=O)c2cn(C)c(C)n2)cnc1OC ZINC000628640612 492532890 /nfs/dbraw/zinc/53/28/90/492532890.db2.gz VWHUXNONEVTZKG-UHFFFAOYSA-N -1 3 369.403 0.058 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@H]1Cc2cncn2C1 ZINC000623264187 492534943 /nfs/dbraw/zinc/53/49/43/492534943.db2.gz IDQCHDBOVZLDHA-QWRGUYRKSA-N -1 3 352.391 0.430 10 0 FCAEHM COc1cc(C(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)ccc1[O-] ZINC000628723503 492537169 /nfs/dbraw/zinc/53/71/69/492537169.db2.gz DUNNKLSXSOTFGK-GFCCVEGCSA-N -1 3 354.370 0.847 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)NC[C@@H]2CCc3cccnc32)cn1C ZINC000623313274 492542713 /nfs/dbraw/zinc/54/27/13/492542713.db2.gz CZSZZFLHUUFEDW-ZDUSSCGKSA-N -1 3 363.443 0.248 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000629086436 492577149 /nfs/dbraw/zinc/57/71/49/492577149.db2.gz QCCQBNBTMIQWLV-RNODOKPDSA-N -1 3 369.421 0.879 10 0 FCAEHM NC(=O)C[C@H]1CN(C(=O)Cc2ccc(Br)cc2[O-])CCO1 ZINC000629394347 492620302 /nfs/dbraw/zinc/62/03/02/492620302.db2.gz IPJXWPCROCRCTK-NSHDSACASA-N -1 3 357.204 0.800 10 0 FCAEHM COc1ncc([N-]S(=O)(=O)CC2(OC)CCOCC2)cc1C(N)=O ZINC000650188114 492620813 /nfs/dbraw/zinc/62/08/13/492620813.db2.gz HDWWNQAVWKOODX-UHFFFAOYSA-N -1 3 359.404 0.126 10 0 FCAEHM O=C(NC[C@@H]1CN(Cc2ccncc2)CCO1)c1ccc2n[n-]nc2c1 ZINC000629444577 492632916 /nfs/dbraw/zinc/63/29/16/492632916.db2.gz ZZWFEDMUHTUIMV-OAHLLOKOSA-N -1 3 352.398 0.984 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]c1ccn(C2CCN(C)CC2)n1)[C@H]1CCOC1 ZINC000656628216 492639344 /nfs/dbraw/zinc/63/93/44/492639344.db2.gz LRZRPVMMQDYVIH-ZFWWWQNUSA-N -1 3 372.491 0.943 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(N2CCOCC2)cn1)[C@H]1CCOC1 ZINC000656728531 492646801 /nfs/dbraw/zinc/64/68/01/492646801.db2.gz WDUMNQHHFKWVMD-ZFWWWQNUSA-N -1 3 371.459 0.711 10 0 FCAEHM CC(C)c1ccc(C(=O)N2CCOC[C@@H]2CNS(C)(=O)=O)c([O-])c1 ZINC000629572164 492649394 /nfs/dbraw/zinc/64/93/94/492649394.db2.gz OBDZCFPFVWQXDB-ZDUSSCGKSA-N -1 3 356.444 0.906 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]CC(=O)NCCc1ccccc1)[C@H]1CCOC1 ZINC000656887189 492659588 /nfs/dbraw/zinc/65/95/88/492659588.db2.gz FCQBBPQYVQERIJ-HOTGVXAUSA-N -1 3 370.471 0.316 10 0 FCAEHM Cc1n[nH]cc1[N-]S(=O)(=O)CCCCS(=O)(=O)N[C@@H]1C[C@H]1C ZINC000629643758 492661240 /nfs/dbraw/zinc/66/12/40/492661240.db2.gz IKYUMCIVHRKQDA-MWLCHTKSSA-N -1 3 350.466 0.568 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]Cc1n[nH]cc1Br)[C@@H]1CCOC1 ZINC000656898737 492663341 /nfs/dbraw/zinc/66/33/41/492663341.db2.gz WDYXKKJZXGIPJL-LDYMZIIASA-N -1 3 368.253 0.643 10 0 FCAEHM COc1ccccc1[C@H](CO)[N-]S(=O)(=O)C[C@@H](OC)[C@H]1CCOC1 ZINC000656913698 492667592 /nfs/dbraw/zinc/66/75/92/492667592.db2.gz OIPXSCTWIXNGFX-DUVNUKRYSA-N -1 3 359.444 0.700 10 0 FCAEHM CO[C@@](C)(CO)C[N-]S(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2 ZINC000657024694 492698022 /nfs/dbraw/zinc/69/80/22/492698022.db2.gz ZWRJMUXIUZNPLF-CQSZACIVSA-N -1 3 362.473 0.328 10 0 FCAEHM COC[C@]1(C)CN(C(=O)c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)CCO1 ZINC000629903594 492699126 /nfs/dbraw/zinc/69/91/26/492699126.db2.gz VEWVTAMNBAKVET-ZWKOTPCHSA-N -1 3 361.398 0.619 10 0 FCAEHM CO[C@H](C[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F)[C@@H]1CCOC1 ZINC000657043138 492702415 /nfs/dbraw/zinc/70/24/15/492702415.db2.gz GBRKQZPTVSYHAH-PRHODGIISA-N -1 3 360.363 0.590 10 0 FCAEHM COC[C@@H](CC[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1)OC ZINC000657052444 492704864 /nfs/dbraw/zinc/70/48/64/492704864.db2.gz KGJRQVXAKMNNQD-LLVKDONJSA-N -1 3 350.462 0.714 10 0 FCAEHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@H](CO)C2CCC2)cc1F ZINC000657055166 492705513 /nfs/dbraw/zinc/70/55/13/492705513.db2.gz DDYSVWOTMIIIHG-GFCCVEGCSA-N -1 3 351.421 0.669 10 0 FCAEHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c2ncnn21 ZINC000657066195 492708136 /nfs/dbraw/zinc/70/81/36/492708136.db2.gz JWKSIGIRHNBWAF-QPUJVOFHSA-N -1 3 361.383 0.488 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-][C@H]2Cc3ccccc3N(C)C2=O)C[C@H](C)O1 ZINC000657071921 492709100 /nfs/dbraw/zinc/70/91/00/492709100.db2.gz WKEXIJGKDVGYKL-SCRDCRAPSA-N -1 3 353.444 0.518 10 0 FCAEHM O=S(=O)([N-]C[C@]1(OCCO)CCOC1)c1ccc(Cl)cc1F ZINC000657085616 492712206 /nfs/dbraw/zinc/71/22/06/492712206.db2.gz OWMRMCGQLUEQSJ-CYBMUJFWSA-N -1 3 353.799 0.925 10 0 FCAEHM CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]Cc1nnnn1C1CC1 ZINC000625023375 492712302 /nfs/dbraw/zinc/71/23/02/492712302.db2.gz DXOZXCSJXDBBBP-AWEZNQCLSA-N -1 3 369.422 0.824 10 0 FCAEHM CCO[C@H](CS(=O)(=O)[N-][C@@H]1CCN(c2cc(C)nn2C)C1=O)C1CC1 ZINC000625026636 492712398 /nfs/dbraw/zinc/71/23/98/492712398.db2.gz FTWNPQFLBKAJNZ-ZIAGYGMSSA-N -1 3 370.475 0.568 10 0 FCAEHM CCO[C@H](CS(=O)(=O)[N-][C@H]1CCCN(c2ccn(C)n2)C1=O)C1CC1 ZINC000625025151 492712402 /nfs/dbraw/zinc/71/24/02/492712402.db2.gz UHSNHHWLONUGKU-UONOGXRCSA-N -1 3 370.475 0.650 10 0 FCAEHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@]1(OCCO)CCOC1 ZINC000657086416 492712806 /nfs/dbraw/zinc/71/28/06/492712806.db2.gz LXFQRGIWJPXSFN-CQSZACIVSA-N -1 3 365.835 0.795 10 0 FCAEHM CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-][C@H]1CCCN(C)C1=O ZINC000625045518 492715266 /nfs/dbraw/zinc/71/52/66/492715266.db2.gz VRNJTDUTSJKANC-GJZGRUSLSA-N -1 3 358.435 0.923 10 0 FCAEHM CO[C@@H]1CS(=O)(=O)C[C@@H]1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000657099482 492718685 /nfs/dbraw/zinc/71/86/85/492718685.db2.gz FLHYVRPMGHMQSH-JGVFFNPUSA-N -1 3 374.362 0.191 10 0 FCAEHM COc1ccc2c(c1)[n-]cc(C(=O)N1CCN(c3nccnn3)CC1)c2=O ZINC000630020904 492718818 /nfs/dbraw/zinc/71/88/18/492718818.db2.gz NLXBMFZAKMSPGF-UHFFFAOYSA-N -1 3 366.381 0.684 10 0 FCAEHM CO[C@@H]1CS(=O)(=O)C[C@@H]1[N-]S(=O)(=O)C[C@@H](C)CC(F)(F)F ZINC000657100162 492719615 /nfs/dbraw/zinc/71/96/15/492719615.db2.gz KHOPDDOFCGLXNC-XHNCKOQMSA-N -1 3 353.384 0.306 10 0 FCAEHM COCc1nc(C[N-]S(=O)(=O)c2ccc(NC(C)=O)cc2F)n[nH]1 ZINC000657103990 492722200 /nfs/dbraw/zinc/72/22/00/492722200.db2.gz LZAXDPLNRCYELG-UHFFFAOYSA-N -1 3 357.367 0.527 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC2(CCC2)OC[C@@H]1C ZINC000657105994 492723028 /nfs/dbraw/zinc/72/30/28/492723028.db2.gz UPUQMNSZHMFTTI-LBPRGKRZSA-N -1 3 374.484 0.927 10 0 FCAEHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000657115058 492724067 /nfs/dbraw/zinc/72/40/67/492724067.db2.gz NYGSINFOSHVCFR-VXGBXAGGSA-N -1 3 374.484 0.830 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CCO[C@@H]2CC2(F)F)coc1C(=O)N(C)C ZINC000657119441 492724809 /nfs/dbraw/zinc/72/48/09/492724809.db2.gz UNNARGORQSIEBJ-SNVBAGLBSA-N -1 3 352.359 0.992 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-][C@]2(CCOC)CCOC2)CCOCC1 ZINC000625158460 492731860 /nfs/dbraw/zinc/73/18/60/492731860.db2.gz ITAPPFWQCQNXBS-CQSZACIVSA-N -1 3 351.465 0.687 10 0 FCAEHM O=C(NCC[C@@]1(O)CCOC1)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000651279005 492733535 /nfs/dbraw/zinc/73/35/35/492733535.db2.gz GTAZBIHLOFIFGQ-GOSISDBHSA-N -1 3 363.414 0.401 10 0 FCAEHM C[C@H]1CCC[C@H](CNS(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)O1 ZINC000657154240 492733848 /nfs/dbraw/zinc/73/38/48/492733848.db2.gz JHHZAOXFGBKBNT-VHSXEESVSA-N -1 3 368.415 0.270 10 0 FCAEHM CC1(C)C[C@H](S(=O)(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)[N-]C2=O)CO1 ZINC000625211232 492740024 /nfs/dbraw/zinc/74/00/24/492740024.db2.gz DSUOTVVIHHCGTP-ZETOZRRWSA-N -1 3 359.448 0.336 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]C[C@@]1(CO)COCC2(CCC2)N1C)C(C)C ZINC000625376014 492767814 /nfs/dbraw/zinc/76/78/14/492767814.db2.gz KNBWFBBJDGPGQB-GDBMZVCRSA-N -1 3 364.508 0.193 10 0 FCAEHM COC1(CS(=O)(=O)[N-]CC(=O)Nc2cccc(F)c2)CCOCC1 ZINC000651542883 492778058 /nfs/dbraw/zinc/77/80/58/492778058.db2.gz XIHJTEWUZNYMSV-UHFFFAOYSA-N -1 3 360.407 0.879 10 0 FCAEHM COc1ccccc1[C@H](CO)[N-]S(=O)(=O)CC1(OC)CCOCC1 ZINC000651573026 492785229 /nfs/dbraw/zinc/78/52/29/492785229.db2.gz KBTCFSCOXVQMNV-AWEZNQCLSA-N -1 3 359.444 0.844 10 0 FCAEHM CCN(C)Cc1cccc(CNC(=O)C(=O)N=c2ncn(C(C)C)[n-]2)c1 ZINC000651578665 492786074 /nfs/dbraw/zinc/78/60/74/492786074.db2.gz ZDJZPSXSRGDFMU-UHFFFAOYSA-N -1 3 358.446 0.988 10 0 FCAEHM CCc1n[nH]c(=O)c(C[N-]S(=O)(=O)CC2(OC)CCOCC2)c1CC ZINC000651602665 492790993 /nfs/dbraw/zinc/79/09/93/492790993.db2.gz XUFWMLCCNLJTIA-UHFFFAOYSA-N -1 3 373.475 0.922 10 0 FCAEHM CC(C)n1cnc(=NC(=O)C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)[n-]1 ZINC000651643998 492799370 /nfs/dbraw/zinc/79/93/70/492799370.db2.gz ZPDQKEDXHQIDLH-LBPRGKRZSA-N -1 3 372.433 0.621 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccc(F)c(F)c1)NC1COCCOC1 ZINC000644711692 492800664 /nfs/dbraw/zinc/80/06/64/492800664.db2.gz MXMUEBXGIUHSCO-UHFFFAOYSA-N -1 3 364.370 0.165 10 0 FCAEHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]C[C@H]2COCCN2C)s1 ZINC000625516898 492806326 /nfs/dbraw/zinc/80/63/26/492806326.db2.gz FVWOMZJKXOAGAK-LBPRGKRZSA-N -1 3 361.489 0.036 10 0 FCAEHM CN1CCOC[C@@H]1C[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000625518583 492807235 /nfs/dbraw/zinc/80/72/35/492807235.db2.gz XHGAZIIQWQKSJN-NSHDSACASA-N -1 3 357.407 0.319 10 0 FCAEHM COCCN(C)CCN1C[C@@H](N=c2nc([C@@H](C)OC)[n-]s2)CC1=O ZINC000631307237 492811670 /nfs/dbraw/zinc/81/16/70/492811670.db2.gz NNAZNLNHNDBDLX-NEPJUHHUSA-N -1 3 357.480 0.258 10 0 FCAEHM CS(=O)(=O)N1CCC(CS(=O)(=O)[N-]CC(=O)C2CCCC2)CC1 ZINC000625547088 492816614 /nfs/dbraw/zinc/81/66/14/492816614.db2.gz YEKXFZHIRWNCJX-UHFFFAOYSA-N -1 3 366.505 0.337 10 0 FCAEHM Cc1nc(C2([N-]S(=O)(=O)C[C@H]3CN(C)CCO3)CCCCC2)no1 ZINC000631725313 492842353 /nfs/dbraw/zinc/84/23/53/492842353.db2.gz SBXBDTLKPIHLCF-CYBMUJFWSA-N -1 3 358.464 0.787 10 0 FCAEHM Cc1cc(S(=O)(=O)[N-]C2CN(S(=O)(=O)N(C)C)C2)c(F)cc1F ZINC000625623990 492845351 /nfs/dbraw/zinc/84/53/51/492845351.db2.gz FWNSENLMWMBHEG-UHFFFAOYSA-N -1 3 369.415 0.042 10 0 FCAEHM CN1CCN(c2cc(C[N-]S(=O)(=O)c3c[nH]c(=O)s3)ccn2)CC1 ZINC000631758652 492847568 /nfs/dbraw/zinc/84/75/68/492847568.db2.gz GRDMHGOTQXPKAU-UHFFFAOYSA-N -1 3 369.472 0.474 10 0 FCAEHM O=C(C[N-]S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1)Nc1ccc(Cl)cc1 ZINC000631785016 492851979 /nfs/dbraw/zinc/85/19/79/492851979.db2.gz AIRVGKMMMXLPGX-CYBMUJFWSA-N -1 3 371.846 0.961 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)nc1=N ZINC000651979165 492857062 /nfs/dbraw/zinc/85/70/62/492857062.db2.gz ACBZMCCAIWEHQI-GXTWGEPZSA-N -1 3 369.429 0.335 10 0 FCAEHM CN1CCO[C@@H](CS(=O)(=O)[N-][C@H]2CCN(Cc3ccccc3)C2=O)C1 ZINC000631813562 492857823 /nfs/dbraw/zinc/85/78/23/492857823.db2.gz QIQSUBOQUNADMT-CVEARBPZSA-N -1 3 367.471 0.038 10 0 FCAEHM C[C@@H]1C(=O)N(C)CN1C(=O)NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000645244451 492882272 /nfs/dbraw/zinc/88/22/72/492882272.db2.gz ASDSOCFHRMYYGM-BMLIUANNSA-N -1 3 359.386 0.071 10 0 FCAEHM O=C1[C@H]([N-]S(=O)(=O)C[C@H]2CNCCO2)CCN1c1ccccc1Cl ZINC000631919830 492885252 /nfs/dbraw/zinc/88/52/52/492885252.db2.gz ZQGDZAMZNGFIMS-DGCLKSJQSA-N -1 3 373.862 0.353 10 0 FCAEHM O=C1[C@@H]([N-]S(=O)(=O)C[C@@H]2CNCCO2)CCN1c1ccc(Cl)cc1 ZINC000631922455 492886098 /nfs/dbraw/zinc/88/60/98/492886098.db2.gz XDHOLINYTTYWEI-KBPBESRZSA-N -1 3 373.862 0.353 10 0 FCAEHM O=S(=O)(Cc1ncsc1Br)[N-]C[C@@H]1COCCN1 ZINC000631954791 492897688 /nfs/dbraw/zinc/89/76/88/492897688.db2.gz WVBRMQOFAHNURN-SSDOTTSWSA-N -1 3 356.267 0.313 10 0 FCAEHM COc1cccc(N2CCC[C@@H]([N-]S(=O)(=O)c3nncn3C)C2)c1 ZINC000631983540 492903741 /nfs/dbraw/zinc/90/37/41/492903741.db2.gz FGQPIZGQDSVQJI-GFCCVEGCSA-N -1 3 351.432 0.771 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@@]2(C)CCS(=O)(=O)C2)coc1C(=O)N(C)C ZINC000645433406 492905549 /nfs/dbraw/zinc/90/55/49/492905549.db2.gz LHKQHZVIOCECDC-ZDUSSCGKSA-N -1 3 364.445 0.145 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CCCN2CCCCC2=O)coc1C(=O)N(C)C ZINC000645523248 492919276 /nfs/dbraw/zinc/91/92/76/492919276.db2.gz DCZRDLMBXWWUBL-UHFFFAOYSA-N -1 3 371.459 0.971 10 0 FCAEHM Cn1cc(N2CC[C@H]([N-]S(=O)(=O)CCC[C@@H]3CCOC3)C2=O)cn1 ZINC000645546646 492923465 /nfs/dbraw/zinc/92/34/65/492923465.db2.gz AEYIUJRAJJLSOX-OCCSQVGLSA-N -1 3 356.448 0.262 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]C[C@@H](O)COCC(C)C)coc1C(=O)N(C)C ZINC000645554399 492924981 /nfs/dbraw/zinc/92/49/81/492924981.db2.gz FOTLWQNMHKFCKF-GFCCVEGCSA-N -1 3 362.448 0.602 10 0 FCAEHM Cc1cc(N2CC[C@@H]([N-]S(=O)(=O)CCOCC3CCC3)C2=O)n(C)n1 ZINC000645569099 492928065 /nfs/dbraw/zinc/92/80/65/492928065.db2.gz COMNHUPMVQZQNV-CQSZACIVSA-N -1 3 370.475 0.570 10 0 FCAEHM CN1CCO[C@H](CS(=O)(=O)[N-][C@@H]2CCN(C3CCCCC3)C2=O)C1 ZINC000632112381 492932755 /nfs/dbraw/zinc/93/27/55/492932755.db2.gz AOILXSAFSAHULT-LSDHHAIUSA-N -1 3 359.492 0.170 10 0 FCAEHM Cc1cc(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)NCCN(C)C)sn1 ZINC000632151209 492939419 /nfs/dbraw/zinc/93/94/19/492939419.db2.gz ZVAOWUYWCYARNE-LBPRGKRZSA-N -1 3 362.521 0.822 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]C[C@]1(CCO)CCOC1 ZINC000632149557 492939490 /nfs/dbraw/zinc/93/94/90/492939490.db2.gz ZDVWIDYETKBVNN-NSHDSACASA-N -1 3 357.354 0.506 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(C(=O)NC[C@H](O)CN2CCCCC2)cn1 ZINC000626200193 492945559 /nfs/dbraw/zinc/94/55/59/492945559.db2.gz FPEPZPMRULXXAF-ZDUSSCGKSA-N -1 3 356.448 0.030 10 0 FCAEHM CCN1C[C@@H](S(=O)(=O)[N-][C@@H]2CCCN(C3CCCCC3)C2=O)CC1=O ZINC000632261792 492959491 /nfs/dbraw/zinc/95/94/91/492959491.db2.gz ZFXJBQWNZALONG-LSDHHAIUSA-N -1 3 371.503 0.850 10 0 FCAEHM CCO[C@@H]1C[C@@](O)(C[N-]S(=O)(=O)[C@@H]2CC(=O)N(C3CC3)C2)C1(C)C ZINC000632269021 492961292 /nfs/dbraw/zinc/96/12/92/492961292.db2.gz WIHVTUXNWARDPG-XJKCOSOUSA-N -1 3 360.476 0.235 10 0 FCAEHM Cn1cnnc1S(=O)(=O)[N-][C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000632272660 492962592 /nfs/dbraw/zinc/96/25/92/492962592.db2.gz WATBPLAUCCALAX-LBPRGKRZSA-N -1 3 353.379 0.034 10 0 FCAEHM COC[C@H]([N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C)[C@@H]1CCCO1 ZINC000632287907 492966132 /nfs/dbraw/zinc/96/61/32/492966132.db2.gz AIAASJPPQLFQHB-UWVGGRQHSA-N -1 3 357.354 0.911 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@H]1C[C@H]2CCCCN2C1=O)C1CCOCC1 ZINC000645752138 492969975 /nfs/dbraw/zinc/96/99/75/492969975.db2.gz IAMYWUWQZKXETE-QLFBSQMISA-N -1 3 360.476 0.501 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@H]2CCN(C(C)(C)C)C2=O)coc1C(=O)N(C)C ZINC000645782244 492975315 /nfs/dbraw/zinc/97/53/15/492975315.db2.gz GRRJJSOETYCZJV-NSHDSACASA-N -1 3 371.459 0.968 10 0 FCAEHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]CCCc2ncn(C)n2)s1 ZINC000645805156 492977079 /nfs/dbraw/zinc/97/70/79/492977079.db2.gz UJZSFIGHBYVUPU-SNVBAGLBSA-N -1 3 371.488 0.985 10 0 FCAEHM C[C@@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000632341047 492977891 /nfs/dbraw/zinc/97/78/91/492977891.db2.gz WNHSZGVPGNYEKF-SLEUVZQESA-N -1 3 374.484 0.710 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)NCC3CCC(F)CC3)cnc21 ZINC000645860012 492984768 /nfs/dbraw/zinc/98/47/68/492984768.db2.gz WNGCADSCROBJBP-UHFFFAOYSA-N -1 3 370.406 0.841 10 0 FCAEHM CN1CCO[C@@H](CS(=O)(=O)[N-][C@H]2CCN(c3ccc(F)cc3)C2=O)C1 ZINC000632457465 493001408 /nfs/dbraw/zinc/00/14/08/493001408.db2.gz GLHAWSFSKMVJNX-CABCVRRESA-N -1 3 371.434 0.181 10 0 FCAEHM COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@H]1CCNC(=O)CC1 ZINC000632473430 493004430 /nfs/dbraw/zinc/00/44/30/493004430.db2.gz DIGNAYWBEJXZDZ-GFCCVEGCSA-N -1 3 360.407 0.798 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CC[C@@H](N3CCC3)[C@H](F)C2)cn1 ZINC000626680845 493007731 /nfs/dbraw/zinc/00/77/31/493007731.db2.gz WFZXYGBSUWGHMS-CHWSQXEVSA-N -1 3 356.423 0.711 10 0 FCAEHM O=C(Cc1cc(C(F)(F)F)ccn1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000626708247 493010740 /nfs/dbraw/zinc/01/07/40/493010740.db2.gz AVAQQKSYJCAIGS-AWEZNQCLSA-N -1 3 356.304 0.844 10 0 FCAEHM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000652734638 493010983 /nfs/dbraw/zinc/01/09/83/493010983.db2.gz RBVZUODRPLWKOE-UHFFFAOYSA-N -1 3 353.448 0.059 10 0 FCAEHM CN1CCC[C@@H]1CNC(=O)N[C@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC000626769094 493017196 /nfs/dbraw/zinc/01/71/96/493017196.db2.gz XFWVWBOXVGZOBY-PMPSAXMXSA-N -1 3 374.441 0.807 10 0 FCAEHM CN1CCC[C@H]1CNC(=O)N[C@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC000626769090 493017221 /nfs/dbraw/zinc/01/72/21/493017221.db2.gz XFWVWBOXVGZOBY-HRCADAONSA-N -1 3 374.441 0.807 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000652814253 493023170 /nfs/dbraw/zinc/02/31/70/493023170.db2.gz UBLIOZDVJUGDPK-HOTGVXAUSA-N -1 3 372.425 0.040 10 0 FCAEHM CCN1C[C@H](CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC1=O ZINC000652833539 493026246 /nfs/dbraw/zinc/02/62/46/493026246.db2.gz PNVMVQUKKOGCMX-DZGCQCFKSA-N -1 3 359.426 0.981 10 0 FCAEHM CCN1C[C@H](CNC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)CC1=O ZINC000652835837 493027245 /nfs/dbraw/zinc/02/72/45/493027245.db2.gz KMNBCOKCBUKWJK-RYUDHWBXSA-N -1 3 371.434 0.477 10 0 FCAEHM CC1(C)CNC(=O)[C@@H]1[N-]S(=O)(=O)Cc1ncsc1Br ZINC000632567671 493030201 /nfs/dbraw/zinc/03/02/01/493030201.db2.gz LINOQQGGBOZQCL-ZETCQYMHSA-N -1 3 368.278 0.850 10 0 FCAEHM O=C(Cc1ccc(Br)cc1[O-])N1CC(N2CC[C@@H](O)C2)C1 ZINC000652891407 493036303 /nfs/dbraw/zinc/03/63/03/493036303.db2.gz MDZCPMXHYLFKGV-CYBMUJFWSA-N -1 3 355.232 0.975 10 0 FCAEHM CN(C)C1(CS(=O)(=O)[N-][C@@H]2CS(=O)(=O)Cc3ccccc32)CC1 ZINC000632585756 493037284 /nfs/dbraw/zinc/03/72/84/493037284.db2.gz BNGOUHMFIURBKR-CQSZACIVSA-N -1 3 358.485 0.670 10 0 FCAEHM CN(C)C1(CS(=O)(=O)[N-][C@H]2CS(=O)(=O)Cc3ccccc32)CC1 ZINC000632585755 493037335 /nfs/dbraw/zinc/03/73/35/493037335.db2.gz BNGOUHMFIURBKR-AWEZNQCLSA-N -1 3 358.485 0.670 10 0 FCAEHM O=S(=O)(Cc1ncsc1Br)[N-]C[C@@H](O)[C@@H]1CCCO1 ZINC000632592445 493039303 /nfs/dbraw/zinc/03/93/03/493039303.db2.gz GAZNAYBDSJAOCG-BDAKNGLRSA-N -1 3 371.278 0.865 10 0 FCAEHM Cn1cnc(CCCNC(=O)Nc2ccc(C[C@H]3NC(=O)[N-]C3=O)cc2)n1 ZINC000646330340 493041220 /nfs/dbraw/zinc/04/12/20/493041220.db2.gz HJGLNXIFFWMEGX-CYBMUJFWSA-N -1 3 371.401 0.320 10 0 FCAEHM CN1CCOC[C@@H]1C[N-]S(=O)(=O)Cc1ncsc1Br ZINC000632597140 493041479 /nfs/dbraw/zinc/04/14/79/493041479.db2.gz KMAPXLGVJCBXRM-QMMMGPOBSA-N -1 3 370.294 0.656 10 0 FCAEHM O=C(C[N-]S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1)c1cccc(F)c1F ZINC000632604786 493044410 /nfs/dbraw/zinc/04/44/10/493044410.db2.gz XAKAMCOAEVWDEL-JTQLQIEISA-N -1 3 358.366 0.830 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)NCCC1(CO)CCC1 ZINC000652936091 493045456 /nfs/dbraw/zinc/04/54/56/493045456.db2.gz GFKZCNGOJICQHX-UHFFFAOYSA-N -1 3 357.410 0.927 10 0 FCAEHM CO[C@@H](C)c1nc(=NC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)s[n-]1 ZINC000646407309 493046558 /nfs/dbraw/zinc/04/65/58/493046558.db2.gz PHODJHHFLWRJPG-ZJUUUORDSA-N -1 3 356.452 0.251 10 0 FCAEHM COc1cc(F)c(S(=O)(=O)[N-]CCn2cnccc2=O)cc1OC ZINC000632635134 493053740 /nfs/dbraw/zinc/05/37/40/493053740.db2.gz IYWDFANRBRALLQ-UHFFFAOYSA-N -1 3 357.363 0.378 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[C@@]3(CC3(F)F)C2)cn1C ZINC000653002965 493057767 /nfs/dbraw/zinc/05/77/67/493057767.db2.gz NKPVFOHZFCKCQB-CYBMUJFWSA-N -1 3 362.402 0.655 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)C1CN(C(=O)c2ccccc2)C1)[C@H](O)C(F)(F)F ZINC000632673647 493063473 /nfs/dbraw/zinc/06/34/73/493063473.db2.gz MQEYOBZGPIBPKR-CABZTGNLSA-N -1 3 366.361 0.742 10 0 FCAEHM Cn1cc(-c2ccc(=NC(=O)NC[C@H]3CCCCN3CCO)[n-]n2)cn1 ZINC000653046427 493063697 /nfs/dbraw/zinc/06/36/97/493063697.db2.gz JDCVOLQWGFLBQZ-CQSZACIVSA-N -1 3 359.434 0.267 10 0 FCAEHM CCn1nc(C)cc1NC(=O)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000627234124 493113735 /nfs/dbraw/zinc/11/37/35/493113735.db2.gz GMHOABCFTRXSFG-UHFFFAOYSA-N -1 3 359.386 0.402 10 0 FCAEHM C[C@H](NC(=O)c1cn2c(n1)COCC2)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000627234269 493113886 /nfs/dbraw/zinc/11/38/86/493113886.db2.gz XZGQXLIKKBGTTB-QWRGUYRKSA-N -1 3 359.386 0.907 10 0 FCAEHM C[C@]12COC[C@@H]1CN(C(=O)Nc1ccc(C[C@@H]3NC(=O)[N-]C3=O)cc1)C2 ZINC000666513856 493197625 /nfs/dbraw/zinc/19/76/25/493197625.db2.gz SDLQWFTXDGLNDR-YEWDVWPNSA-N -1 3 358.398 0.937 10 0 FCAEHM NCc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@@H](C2CCC2)C2CCCC2)n1 ZINC000659628386 493222490 /nfs/dbraw/zinc/22/24/90/493222490.db2.gz BNUYKVFHQDFYHN-MRXNPFEDSA-N -1 3 361.446 0.732 10 0 FCAEHM CN(C)[C@@H](CNC(=O)C(=O)NCC1(C(=O)[O-])CCC1)Cc1ccccc1 ZINC000659644521 493228193 /nfs/dbraw/zinc/22/81/93/493228193.db2.gz OOPNDOBCDACKQV-OAHLLOKOSA-N -1 3 361.442 0.647 10 0 FCAEHM CN(CCCNC(=O)C(=O)NCC1(C(=O)[O-])CCC1)Cc1ccccc1 ZINC000659645769 493228866 /nfs/dbraw/zinc/22/88/66/493228866.db2.gz ZWWMCQJYWKXAFZ-UHFFFAOYSA-N -1 3 361.442 0.996 10 0 FCAEHM O=C([O-])C1(CNC(=O)C(=O)NCC2CCN(c3ccncc3)CC2)CCC1 ZINC000659655673 493233802 /nfs/dbraw/zinc/23/38/02/493233802.db2.gz VUOVLTSLCKTBNE-UHFFFAOYSA-N -1 3 374.441 0.785 10 0 FCAEHM CCOc1ccc([C@H](C)NC(=O)C(=O)NCc2nc(CN)cc(=O)[n-]2)cc1 ZINC000659683346 493249651 /nfs/dbraw/zinc/24/96/51/493249651.db2.gz RSSZGQNKXCYZTK-NSHDSACASA-N -1 3 373.413 0.533 10 0 FCAEHM CC(=O)N1CC[C@H](C[N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)C1 ZINC000641597184 493260502 /nfs/dbraw/zinc/26/05/02/493260502.db2.gz JFHFLIDHKIWCDS-LLVKDONJSA-N -1 3 369.418 0.857 10 0 FCAEHM CC(C)O[C@]1(CS(=O)(=O)[N-][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)CCOC1 ZINC000659918216 493303094 /nfs/dbraw/zinc/30/30/94/493303094.db2.gz BKEFAMBVHHXNLK-DSJMHWKBSA-N -1 3 360.476 0.499 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CC(F)(F)C[C@@H]1CO ZINC000673229488 493305242 /nfs/dbraw/zinc/30/52/42/493305242.db2.gz MXWVRODJUJHZQL-SECBINFHSA-N -1 3 354.400 0.645 10 0 FCAEHM C[C@]1(c2ccc(CNC(=O)c3cnc4n3CCOC4)cc2)NC(=O)[N-]C1=O ZINC000667895530 493307709 /nfs/dbraw/zinc/30/77/09/493307709.db2.gz VXDSNZCEXKHFGO-GOSISDBHSA-N -1 3 369.381 0.398 10 0 FCAEHM CC(C)[C@H](NS(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C)C1CC1 ZINC000660044278 493318637 /nfs/dbraw/zinc/31/86/37/493318637.db2.gz OUOCARSMXJWUHT-LBPRGKRZSA-N -1 3 352.416 0.747 10 0 FCAEHM Cn1ccc(S(=O)(=O)[N-]C[C@H]2CN(C)CCN2Cc2ccccc2)n1 ZINC000660123884 493328097 /nfs/dbraw/zinc/32/80/97/493328097.db2.gz QSCQEYPXFLDYND-INIZCTEOSA-N -1 3 363.487 0.515 10 0 FCAEHM O=C(Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000683945951 493380664 /nfs/dbraw/zinc/38/06/64/493380664.db2.gz HBAKJMOIOQXODU-SCLBCKFNSA-N -1 3 371.397 0.181 10 0 FCAEHM COc1ccc2c(c1)OC[C@H](C(=O)N1CCC[C@@]3(C1)NC(=O)[N-]C3=O)C2 ZINC000684078944 493392431 /nfs/dbraw/zinc/39/24/31/493392431.db2.gz SXRZXJGSDKDHET-XIKOKIGWSA-N -1 3 359.382 0.447 10 0 FCAEHM CN1C[C@H](C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c2ccccc2C1=O ZINC000684079762 493392551 /nfs/dbraw/zinc/39/25/51/493392551.db2.gz NYAXAUPGYPBABM-UGSOOPFHSA-N -1 3 356.382 0.056 10 0 FCAEHM CN1C[C@@H](C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c2ccccc2C1=O ZINC000684079372 493392715 /nfs/dbraw/zinc/39/27/15/493392715.db2.gz NYAXAUPGYPBABM-FZKQIMNGSA-N -1 3 356.382 0.056 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@@H](C)c2nccn2C)s1 ZINC000662096681 493487882 /nfs/dbraw/zinc/48/78/82/493487882.db2.gz TVOOIGLNDJKGGT-VIFPVBQESA-N -1 3 357.461 0.950 10 0 FCAEHM CN(CC(=O)N1CCNCC1)C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000662401165 493513067 /nfs/dbraw/zinc/51/30/67/493513067.db2.gz OHMGSAHWOBRJPS-UHFFFAOYSA-N -1 3 361.377 0.221 10 0 FCAEHM CNS(=O)(=O)c1cc(NC(=O)c2cn[n-]c2[C@@H]2CC[NH2+]C2)ccc1[O-] ZINC000662541433 493524949 /nfs/dbraw/zinc/52/49/49/493524949.db2.gz GBISHCMDOAJCHX-SECBINFHSA-N -1 3 365.415 0.353 10 0 FCAEHM CC(C)(C(=O)NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)n1cc(N)cn1 ZINC000662569005 493526220 /nfs/dbraw/zinc/52/62/20/493526220.db2.gz UHCFGQDSUVTUTD-GOSISDBHSA-N -1 3 370.413 0.571 10 0 FCAEHM Cc1nn2cc(S(=O)(=O)[N-][C@@H](C)Cn3cncn3)cnc2c1Cl ZINC000676322233 493545207 /nfs/dbraw/zinc/54/52/07/493545207.db2.gz WSTYUGYWBVXONK-QMMMGPOBSA-N -1 3 355.811 0.650 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@H]2C[C@H](O)C23CCC3)s1 ZINC000663536759 493594550 /nfs/dbraw/zinc/59/45/50/493594550.db2.gz TWZWCLQXXOSUPN-QWRGUYRKSA-N -1 3 359.473 0.759 10 0 FCAEHM CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663633075 493607266 /nfs/dbraw/zinc/60/72/66/493607266.db2.gz NXCJSRSSTLAVML-LSDHHAIUSA-N -1 3 369.462 0.173 10 0 FCAEHM O=C1[N-]C(=O)N2CCN(c3nc(C4CC4)ncc3Br)C[C@@H]12 ZINC000663780059 493617466 /nfs/dbraw/zinc/61/74/66/493617466.db2.gz RNXSAIHDWXIOJJ-VIFPVBQESA-N -1 3 352.192 0.857 10 0 FCAEHM C[C@@]1(c2ccc(CNC(=O)N3CCC4(COC4)C3)cc2)NC(=O)[N-]C1=O ZINC000663918848 493625969 /nfs/dbraw/zinc/62/59/69/493625969.db2.gz GSUKAVQZZAQEMK-KRWDZBQOSA-N -1 3 358.398 0.673 10 0 FCAEHM C[C@H](Cn1cncn1)NC(=O)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000678338035 493641157 /nfs/dbraw/zinc/64/11/57/493641157.db2.gz VTRCRULFJAFFTP-MFKMUULPSA-N -1 3 357.374 0.239 10 0 FCAEHM CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-]C2(CO)CC2)s1 ZINC000678802351 493661631 /nfs/dbraw/zinc/66/16/31/493661631.db2.gz UVZIKASGCHQWGR-UHFFFAOYSA-N -1 3 368.502 0.033 10 0 FCAEHM CS(=O)(=O)[N-]c1cc(C(=O)NC2(CCO)CCOCC2)ccc1F ZINC000679403394 493678225 /nfs/dbraw/zinc/67/82/25/493678225.db2.gz RCNLPVLSPAKGJF-UHFFFAOYSA-N -1 3 360.407 0.859 10 0 FCAEHM Cn1cc(C[N-]S(=O)(=O)c2ccc(C(=O)N3CCCC3)c(F)c2)nn1 ZINC000679935942 493702106 /nfs/dbraw/zinc/70/21/06/493702106.db2.gz STYIAYUGTUXXLN-UHFFFAOYSA-N -1 3 367.406 0.669 10 0 FCAEHM CCO[C@@H]1COCC[C@H]1NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000680545424 493723075 /nfs/dbraw/zinc/72/30/75/493723075.db2.gz DVTGMZJPDCDIQT-IACUBPJLSA-N -1 3 374.434 0.803 10 0 FCAEHM Cc1cc(C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)c(C)n1Cc1ccncc1 ZINC000680817597 493730477 /nfs/dbraw/zinc/73/04/77/493730477.db2.gz FBCGTKGLOORLGA-MRXNPFEDSA-N -1 3 367.409 0.924 10 0 FCAEHM Cn1nncc1CC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000665781762 493737278 /nfs/dbraw/zinc/73/72/78/493737278.db2.gz FTEPOOYLZWCDTJ-UHFFFAOYSA-N -1 3 369.472 0.389 10 0 FCAEHM CN1NN=C2C1=NCC[C@@H]2C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000665874772 493742237 /nfs/dbraw/zinc/74/22/37/493742237.db2.gz OWWOENJONGDTOY-VIFPVBQESA-N -1 3 368.394 0.360 10 0 FCAEHM Cc1nnc([C@@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)[nH]1 ZINC000672327891 493757114 /nfs/dbraw/zinc/75/71/14/493757114.db2.gz FJGHZWRXUUFBMK-BDAKNGLRSA-N -1 3 355.395 0.796 10 0 FCAEHM COC(=O)[C@@H](CC1CC1)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000412500644 534248239 /nfs/dbraw/zinc/24/82/39/534248239.db2.gz FIKDPDAMPGLHDC-GXFFZTMASA-N -1 3 372.418 0.950 10 0 FCAEHM O=C(CN1CCC[C@]2(C1)NC(=O)[N-]C2=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000192657022 534536280 /nfs/dbraw/zinc/53/62/80/534536280.db2.gz JPGSLWMIFFRGEN-QMTHXVAHSA-N -1 3 362.352 0.461 10 0 FCAEHM CCCc1nc(=NC(=O)C(=O)N2CC[C@@]3(C2)CCCN(C)C3)s[n-]1 ZINC000411566111 528684538 /nfs/dbraw/zinc/68/45/38/528684538.db2.gz WDPYBFJLABTNMY-INIZCTEOSA-N -1 3 351.476 0.795 10 0 FCAEHM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]Cc1cscn1 ZINC000444030914 536118864 /nfs/dbraw/zinc/11/88/64/536118864.db2.gz LBHSJDRXWYBJTI-UHFFFAOYSA-N -1 3 361.470 0.872 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCC[C@H]2COCC[C@H]21 ZINC000329647920 546560365 /nfs/dbraw/zinc/56/03/65/546560365.db2.gz AUQFPAVXJSRRSP-FPMFFAJLSA-N -1 3 371.459 0.986 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)c2ccnn2C)c1 ZINC000592105338 546608816 /nfs/dbraw/zinc/60/88/16/546608816.db2.gz DOOKMIHJOIBQGT-ZDUSSCGKSA-N -1 3 369.447 0.998 10 0 FCAEHM CCCN(C[C@H]1CCCCO1)C(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000592788643 546665845 /nfs/dbraw/zinc/66/58/45/546665845.db2.gz WACQZHQYHMTOHB-CQSZACIVSA-N -1 3 372.491 0.815 10 0 FCAEHM COC(=O)[C@H](CCF)[N-]S(=O)(=O)C1CN(C(=O)C2CCCC2)C1 ZINC000593633361 546724384 /nfs/dbraw/zinc/72/43/84/546724384.db2.gz NTUFEIXZFMKTRY-LBPRGKRZSA-N -1 3 350.412 0.208 10 0 FCAEHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](CCF)C(=O)OC ZINC000593632140 546724687 /nfs/dbraw/zinc/72/46/87/546724687.db2.gz KDDKDOMOMDEWJP-SECBINFHSA-N -1 3 351.327 0.792 10 0 FCAEHM COC(=O)[C@@H](CCF)[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000593634855 546725490 /nfs/dbraw/zinc/72/54/90/546725490.db2.gz OSADOVBAZKCXMX-SECBINFHSA-N -1 3 350.368 0.469 10 0 FCAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CC[C@@]1(O)CCOC1 ZINC000593638178 546733097 /nfs/dbraw/zinc/73/30/97/546733097.db2.gz YZZARSYNGGVTQZ-MWLCHTKSSA-N -1 3 363.354 0.331 10 0 FCAEHM COC[C@@H]1C[C@@H](O)CN1C(=O)C(=O)[N-]c1scc(C)c1C(=O)OC ZINC000593688401 546737065 /nfs/dbraw/zinc/73/70/65/546737065.db2.gz HUIQYMMPADOHQF-VHSXEESVSA-N -1 3 356.400 0.390 10 0 FCAEHM COC(=O)[C@@H](CCF)NC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000593795018 546751148 /nfs/dbraw/zinc/75/11/48/546751148.db2.gz KSQPWXCVUOQIEH-BDJLRTHQSA-N -1 3 351.334 0.372 10 0 FCAEHM COC(=O)[C@@H](CCF)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000593798317 546751319 /nfs/dbraw/zinc/75/13/19/546751319.db2.gz BDGKVJCWTDOTQV-RKDXNWHRSA-N -1 3 352.409 0.432 10 0 FCAEHM COC(=O)[C@@H](CCF)NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000593807593 546753526 /nfs/dbraw/zinc/75/35/26/546753526.db2.gz PHXYSZJYOABJML-GFCCVEGCSA-N -1 3 351.334 0.510 10 0 FCAEHM COC(=O)[C@H](CCF)NC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000593809569 546753623 /nfs/dbraw/zinc/75/36/23/546753623.db2.gz WVLKKHJWHRAGID-VIFPVBQESA-N -1 3 352.409 0.434 10 0 FCAEHM COC(=O)c1cc2c(cc1[N-]S(=O)(=O)N1CCC(OC)CC1)OCO2 ZINC000594704947 546817112 /nfs/dbraw/zinc/81/71/12/546817112.db2.gz ITNKHHAMUHCATC-UHFFFAOYSA-N -1 3 372.399 0.969 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](OC)[C@@H]2CCOC2)c(F)c1 ZINC000594799892 546826268 /nfs/dbraw/zinc/82/62/68/546826268.db2.gz GESFJVZHAXBLSQ-DGCLKSJQSA-N -1 3 361.391 0.942 10 0 FCAEHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]C[C@@H](OC)[C@@H]1CCOC1 ZINC000594804539 546828550 /nfs/dbraw/zinc/82/85/50/546828550.db2.gz ROILEDKXFHOWCA-ZWNOBZJWSA-N -1 3 361.416 0.958 10 0 FCAEHM COC(=O)c1ncccc1S(=O)(=O)[N-][C@H](CO)[C@H]1CCC[C@H](OC)C1 ZINC000594806491 546828879 /nfs/dbraw/zinc/82/88/79/546828879.db2.gz CELWSPJJFURXHH-RWMBFGLXSA-N -1 3 372.443 0.713 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-][C@@H](CCSC)C(=O)N(C)C)[C@@H]1CCOC1 ZINC000594778352 546833276 /nfs/dbraw/zinc/83/32/76/546833276.db2.gz IGVZNJRWLPSXFO-AGIUHOORSA-N -1 3 368.521 0.167 10 0 FCAEHM COCc1nc(C[N-]S(=O)(=O)c2cccc(C)c2C(=O)OC)n[nH]1 ZINC000594826516 546837428 /nfs/dbraw/zinc/83/74/28/546837428.db2.gz BYSOEEREAJPENC-UHFFFAOYSA-N -1 3 354.388 0.525 10 0 FCAEHM CS(=O)(=O)N1CCC(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)CC1 ZINC000473898305 546935354 /nfs/dbraw/zinc/93/53/54/546935354.db2.gz ZDLYKWLDTFAPAO-UHFFFAOYSA-N -1 3 364.431 0.401 10 0 FCAEHM CS(=O)(=O)N1CCC(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)CC1 ZINC000473898305 546935358 /nfs/dbraw/zinc/93/53/58/546935358.db2.gz ZDLYKWLDTFAPAO-UHFFFAOYSA-N -1 3 364.431 0.401 10 0 FCAEHM C[C@H]1CCCN1S(=O)(=O)NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000547438864 547051781 /nfs/dbraw/zinc/05/17/81/547051781.db2.gz ONIVLIAMAJHYHZ-MEDUHNTESA-N -1 3 366.443 0.560 10 0 FCAEHM C[C@@]1(C[C@@H]2CCCN2C(=O)C2CN(CC(F)(F)F)C2)NC(=O)[N-]C1=O ZINC000553449662 547280234 /nfs/dbraw/zinc/28/02/34/547280234.db2.gz WBGPNXSQBUNTCC-HZMBPMFUSA-N -1 3 362.352 0.460 10 0 FCAEHM C[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)C1(S(C)(=O)=O)CC1 ZINC000553475183 547282279 /nfs/dbraw/zinc/28/22/79/547282279.db2.gz ALKMATZCLHZXMD-JTQLQIEISA-N -1 3 360.457 0.754 10 0 FCAEHM O=C1[N-]C(=O)N2CCN(S(=O)(=O)c3cccnc3C(F)(F)F)C[C@H]12 ZINC000553855612 547311621 /nfs/dbraw/zinc/31/16/21/547311621.db2.gz SUIJYHNBMYRECU-SSDOTTSWSA-N -1 3 364.305 0.025 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCc1ccc(Cl)cn1 ZINC000182134406 547406088 /nfs/dbraw/zinc/40/60/88/547406088.db2.gz UXXHSHPUKWTEKY-UHFFFAOYSA-N -1 3 373.594 0.664 10 0 FCAEHM CC[C@@H]1CN(C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)CCN1C[C@H](C)O ZINC000248683501 674538535 /nfs/dbraw/zinc/53/85/35/674538535.db2.gz RDFUJSFDWZDDEJ-XQQFMLRXSA-N -1 3 367.412 0.993 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@@H]2CCCN(C)C2=O)c(Br)n1 ZINC000866915763 665159037 /nfs/dbraw/zinc/15/90/37/665159037.db2.gz NDFVBIBTQKPIRU-SSDOTTSWSA-N -1 3 351.226 0.082 10 0 FCAEHM CC[C@](C)(O)C[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866837855 663136760 /nfs/dbraw/zinc/13/67/60/663136760.db2.gz GWLIUFBFEQWGML-VIFPVBQESA-N -1 3 373.216 0.464 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CC[C@@]2(CO)CCC[C@@H]12 ZINC000899443099 665938279 /nfs/dbraw/zinc/93/82/79/665938279.db2.gz QBCQMFPRXAFASN-QMTHXVAHSA-N -1 3 372.219 0.475 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)CCOC3CCOCC3)CC2)n1 ZINC000899499712 665943208 /nfs/dbraw/zinc/94/32/08/665943208.db2.gz PLTSADRDOSBGPH-UHFFFAOYSA-N -1 3 350.419 0.725 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](COC)[C@@H]2CCCOC2)ccc1F ZINC000899652570 665950124 /nfs/dbraw/zinc/95/01/24/665950124.db2.gz DCNLURVYQYBVQD-OCCSQVGLSA-N -1 3 374.434 0.905 10 0 FCAEHM COC(=O)CC(C)(C)[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000866859693 663468293 /nfs/dbraw/zinc/46/82/93/663468293.db2.gz PIRMNHOWGLGGSJ-UHFFFAOYSA-N -1 3 354.226 0.803 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C[C@H]1CO ZINC000191860424 664242465 /nfs/dbraw/zinc/24/24/65/664242465.db2.gz YIJNLUDUYADULP-PWSUYJOCSA-N -1 3 356.419 0.967 10 0 FCAEHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cnn(C)c2I)CO1 ZINC000867452353 664468661 /nfs/dbraw/zinc/46/86/61/664468661.db2.gz CYLIMSPBHWWRFG-RQJHMYQMSA-N -1 3 371.200 0.480 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]C[C@H](O)[C@@H]2CCCO2)c(Br)n1 ZINC000867556972 665232334 /nfs/dbraw/zinc/23/23/34/665232334.db2.gz JWLIMPVVXZIDBA-YUMQZZPRSA-N -1 3 354.226 0.001 10 0 FCAEHM CCOC(=O)[C@@H]1CCCN(CC(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)C1 ZINC000911850102 666378330 /nfs/dbraw/zinc/37/83/30/666378330.db2.gz ZJCWMKQCDIKCFY-QWHCGFSZSA-N -1 3 350.419 0.706 10 0 FCAEHM CN1CCOC[C@]1(CO)C[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000921339500 666436817 /nfs/dbraw/zinc/43/68/17/666436817.db2.gz GDANSJNSEWKNPK-CYBMUJFWSA-N -1 3 352.815 0.451 10 0 FCAEHM CN1CCOC[C@@]1(CO)C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000921339592 666437078 /nfs/dbraw/zinc/43/70/78/666437078.db2.gz ICVPWTWOXCMASQ-ZDUSSCGKSA-N -1 3 354.350 0.075 10 0 FCAEHM CN1CCOC[C@@]1(CO)C[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000921339686 666437127 /nfs/dbraw/zinc/43/71/27/666437127.db2.gz JPFVKZDKPCAGCX-ZDUSSCGKSA-N -1 3 369.270 0.965 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@H]2CCCN3CCSC[C@H]23)nc1Cl ZINC000921323514 666438559 /nfs/dbraw/zinc/43/85/59/666438559.db2.gz IWWIMDIEBYALES-VHSXEESVSA-N -1 3 350.897 0.932 10 0 FCAEHM CCOC(=O)[C@H](COC)[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000921380137 666442426 /nfs/dbraw/zinc/44/24/26/666442426.db2.gz GZUYJGLTPPEGBL-ZETCQYMHSA-N -1 3 370.225 0.039 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000912468764 666444184 /nfs/dbraw/zinc/44/41/84/666444184.db2.gz GWKSXVPQIODJQR-STQMWFEESA-N -1 3 352.460 0.706 10 0 FCAEHM CCCS(=O)(=O)[N-]c1ccccc1C(=O)N(C)CCN(C)CCO ZINC000912608033 666461875 /nfs/dbraw/zinc/46/18/75/666461875.db2.gz BXHMHPAZDNCOED-UHFFFAOYSA-N -1 3 357.476 0.834 10 0 FCAEHM CCN1CCN(c2ccc(C(=O)[N-]S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000179946148 666477176 /nfs/dbraw/zinc/47/71/76/666477176.db2.gz IYHVUHAXBLBAOB-UHFFFAOYSA-N -1 3 366.487 0.899 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCCNC2=O)ccc1F ZINC000050634819 666600974 /nfs/dbraw/zinc/60/09/74/666600974.db2.gz QVLCNDHBHHIHEK-LBPRGKRZSA-N -1 3 357.407 0.521 10 0 FCAEHM CCOc1nnc(NC(=O)c2cn(C)nc2I)[n-]1 ZINC000913777964 666650358 /nfs/dbraw/zinc/65/03/58/666650358.db2.gz SSFHJSTVMXCPON-UHFFFAOYSA-N -1 3 362.131 0.794 10 0 FCAEHM CCOc1nc(NC(=O)c2cn(C)nc2I)n[n-]1 ZINC000913777964 666650359 /nfs/dbraw/zinc/65/03/59/666650359.db2.gz SSFHJSTVMXCPON-UHFFFAOYSA-N -1 3 362.131 0.794 10 0 FCAEHM CCOc1n[n-]c(NC(=O)c2cn(C)nc2I)n1 ZINC000913777964 666650362 /nfs/dbraw/zinc/65/03/62/666650362.db2.gz SSFHJSTVMXCPON-UHFFFAOYSA-N -1 3 362.131 0.794 10 0 FCAEHM C[C@@H]1COC[C@@H]1[N-]S(=O)(=O)c1cnn(C)c1I ZINC000921504507 666877966 /nfs/dbraw/zinc/87/79/66/666877966.db2.gz ZJIWJKSWKWSLHT-RQJHMYQMSA-N -1 3 371.200 0.338 10 0 FCAEHM COc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CN3CCN2CCC3)cc1F ZINC000917066973 667053218 /nfs/dbraw/zinc/05/32/18/667053218.db2.gz SNQZNBLORNEENA-NSHDSACASA-N -1 3 361.414 0.642 10 0 FCAEHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NCCNC(N)=O)ccc1F ZINC000736108859 667075561 /nfs/dbraw/zinc/07/55/61/667075561.db2.gz FJXRBQDYJDFMMJ-UHFFFAOYSA-N -1 3 360.411 0.301 10 0 FCAEHM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-][C@@H]1CCCCC1(OC)OC ZINC000918055776 667098692 /nfs/dbraw/zinc/09/86/92/667098692.db2.gz MDUVRXUYJIISPA-QWHCGFSZSA-N -1 3 364.464 0.780 10 0 FCAEHM COC1(OC)CCCC[C@H]1[N-]S(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC000918061504 667098730 /nfs/dbraw/zinc/09/87/30/667098730.db2.gz SMQJYMURECCRMT-QWHCGFSZSA-N -1 3 369.505 0.662 10 0 FCAEHM O=S(=O)([N-][C@@H](CO)CN1CCOCC1)c1cccc(Cl)c1Cl ZINC000918987933 667148757 /nfs/dbraw/zinc/14/87/57/667148757.db2.gz HVPFJSAJHIQEKY-SNVBAGLBSA-N -1 3 369.270 0.965 10 0 FCAEHM O=S(=O)([N-][C@H](CO)CN1CCOCC1)c1cc(F)ccc1Cl ZINC000918988611 667149243 /nfs/dbraw/zinc/14/92/43/667149243.db2.gz LMLSHEPMCAHRNB-NSHDSACASA-N -1 3 352.815 0.451 10 0 FCAEHM CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]CC(=O)c1cnn(C)c1 ZINC000921681075 667235007 /nfs/dbraw/zinc/23/50/07/667235007.db2.gz JXYYUJGIMVDWBQ-OAHLLOKOSA-N -1 3 369.418 0.919 10 0 FCAEHM CN1CCN(C(=O)C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)CC1 ZINC000920534116 667247590 /nfs/dbraw/zinc/24/75/90/667247590.db2.gz DZJLIWRUIWROIX-UHFFFAOYSA-N -1 3 366.365 0.153 10 0 FCAEHM CNC(=O)c1cc(S(=O)(=O)[N-][C@H]([C@@H]2CCOC2)C(F)(F)F)cn1C ZINC000921863580 667523667 /nfs/dbraw/zinc/52/36/67/667523667.db2.gz XLEKQYYJWWWUGI-LDYMZIIASA-N -1 3 369.365 0.630 10 0 FCAEHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@H]2CC[C@H]2C(=O)OC)c1F ZINC000921974692 667556906 /nfs/dbraw/zinc/55/69/06/667556906.db2.gz USIVCCHGBHZMCA-APPZFPTMSA-N -1 3 363.338 0.981 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)NCC1CSC1 ZINC000922347072 667640636 /nfs/dbraw/zinc/64/06/36/667640636.db2.gz HNJOZSOMDYBXSD-UHFFFAOYSA-N -1 3 365.427 0.905 10 0 FCAEHM Cn1ncc(C[N-]S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)n1 ZINC000805101512 667682168 /nfs/dbraw/zinc/68/21/68/667682168.db2.gz ZZKGDWBODNYAIB-UHFFFAOYSA-N -1 3 355.807 0.832 10 0 FCAEHM Cn1ncc(C[N-]S(=O)(=O)c2cc(Br)cc3c2OCC3)n1 ZINC000805103870 667690307 /nfs/dbraw/zinc/69/03/07/667690307.db2.gz FSHVNMSKBPMSRQ-UHFFFAOYSA-N -1 3 373.232 0.991 10 0 FCAEHM C[C@H](CC(=O)N1CCNC(=O)CC1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000760525628 667852940 /nfs/dbraw/zinc/85/29/40/667852940.db2.gz YVYDRDLIROBIJH-SNVBAGLBSA-N -1 3 374.850 0.140 10 0 FCAEHM Cn1ncc(CNC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)n1 ZINC000805211732 667863276 /nfs/dbraw/zinc/86/32/76/667863276.db2.gz XXYBUEKNJTXOGX-UHFFFAOYSA-N -1 3 353.379 0.325 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCC(=O)N(C)C2)ccc1F ZINC000737689994 667885340 /nfs/dbraw/zinc/88/53/40/667885340.db2.gz NKMLPPVQBQBRBS-LBPRGKRZSA-N -1 3 371.434 0.863 10 0 FCAEHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC)C(=O)OC ZINC000761301381 667886222 /nfs/dbraw/zinc/88/62/22/667886222.db2.gz XHRNBTFHGFWUMB-SSDOTTSWSA-N -1 3 350.780 0.752 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-]CC(C)(C)CO)c1I ZINC000866990060 667947774 /nfs/dbraw/zinc/94/77/74/667947774.db2.gz KYCRCYKLYUIMIM-UHFFFAOYSA-N -1 3 373.216 0.322 10 0 FCAEHM CNC(=O)[C@@H]([N-]S(=O)(=O)c1cnn(C)c1Br)C(C)C ZINC000866992018 667948542 /nfs/dbraw/zinc/94/85/42/667948542.db2.gz PZJVCTPHAPGBMK-QMMMGPOBSA-N -1 3 353.242 0.232 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN3C(=O)OCC[C@H]3C2)ccc1F ZINC000764256986 667979249 /nfs/dbraw/zinc/97/92/49/667979249.db2.gz WMNNHSWHUUZGDB-NSHDSACASA-N -1 3 371.390 0.401 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)OCc2nnnn2C(C)(C)C)ccc1F ZINC000766215067 668024514 /nfs/dbraw/zinc/02/45/14/668024514.db2.gz RKVLTCDWVLLDOQ-UHFFFAOYSA-N -1 3 371.394 0.832 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]c2cccn(CCS(C)(=O)=O)c2=O)o1 ZINC000773233372 668082505 /nfs/dbraw/zinc/08/25/05/668082505.db2.gz UUFNDKRVGLDHTH-UHFFFAOYSA-N -1 3 360.413 0.595 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CCC2CCS(=O)(=O)CC2)nc1Cl ZINC000768547412 668085810 /nfs/dbraw/zinc/08/58/10/668085810.db2.gz LNVGIFGAYCVQCG-UHFFFAOYSA-N -1 3 355.869 0.567 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCOC[C@H]1CCO ZINC000769059385 668112801 /nfs/dbraw/zinc/11/28/01/668112801.db2.gz FANFEYNTLLJTJB-SECBINFHSA-N -1 3 368.864 0.290 10 0 FCAEHM CNC(=O)c1cncc(C=CC(=O)NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000775909822 668236898 /nfs/dbraw/zinc/23/68/98/668236898.db2.gz GPVGNASPAJFJMW-IHWYPQMZSA-N -1 3 354.292 0.908 10 0 FCAEHM CN(C)c1nc(COC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)ns1 ZINC000771383317 668250595 /nfs/dbraw/zinc/25/05/95/668250595.db2.gz UJQGUDRQSRYXKS-VIFPVBQESA-N -1 3 350.466 0.611 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)OCc1nnc(C2CCC2)n1C ZINC000783174642 668601502 /nfs/dbraw/zinc/60/15/02/668601502.db2.gz AUWLCHGIGDNWJE-UHFFFAOYSA-N -1 3 360.436 0.082 10 0 FCAEHM CCOC(=O)[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000785310013 668705364 /nfs/dbraw/zinc/70/53/64/668705364.db2.gz QWUAZVOAJGEDEB-IUCAKERBSA-N -1 3 363.823 0.470 10 0 FCAEHM CS(=O)(=O)c1cccnc1C[N-]S(=O)(=O)c1cnn(CC2CC2)c1 ZINC000785336026 668707110 /nfs/dbraw/zinc/70/71/10/668707110.db2.gz HKNXIHYOFNHHGV-UHFFFAOYSA-N -1 3 370.456 0.570 10 0 FCAEHM NC(=O)CN1CCC([N-]S(=O)(=O)c2cnccc2C(F)(F)F)CC1 ZINC000785479250 668714803 /nfs/dbraw/zinc/71/48/03/668714803.db2.gz GLUHIZQXKQLTBG-UHFFFAOYSA-N -1 3 366.365 0.328 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N(CCOC)[C@H]2CCOC2)ccc1F ZINC000787850659 668811749 /nfs/dbraw/zinc/81/17/49/668811749.db2.gz XDZTUMUHAMWXAK-LBPRGKRZSA-N -1 3 360.407 0.611 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N(CCOC)[C@@H]2CCOC2)ccc1F ZINC000787850656 668811778 /nfs/dbraw/zinc/81/17/78/668811778.db2.gz XDZTUMUHAMWXAK-GFCCVEGCSA-N -1 3 360.407 0.611 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)OCC(=O)OCC(F)(F)F)c(C)o1 ZINC000788959511 668845948 /nfs/dbraw/zinc/84/59/48/668845948.db2.gz SNNFHFZHLULESQ-UHFFFAOYSA-N -1 3 359.278 0.758 10 0 FCAEHM COC[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)C(N)=O ZINC000790247998 668873559 /nfs/dbraw/zinc/87/35/59/668873559.db2.gz XMHPGWOMKVOXIP-SSDOTTSWSA-N -1 3 371.640 0.881 10 0 FCAEHM O=C(/C=C\c1ccncn1)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000799408359 669296999 /nfs/dbraw/zinc/29/69/99/669296999.db2.gz NHZJMWUAFUUBBU-RQOWECAXSA-N -1 3 368.365 0.863 10 0 FCAEHM CC(C)(C)OC(=O)N1CC(S(=O)(=O)[N-]Cc2nnc(C3CC3)o2)C1 ZINC000809397833 669622870 /nfs/dbraw/zinc/62/28/70/669622870.db2.gz GNXXKMGFFVXOEI-UHFFFAOYSA-N -1 3 358.420 0.986 10 0 FCAEHM O=S(=O)([N-]CCc1nnc2n1CCC2)c1ccc(Cl)c2nonc21 ZINC000814380014 669881827 /nfs/dbraw/zinc/88/18/27/669881827.db2.gz QDVZJQZYMIPODC-UHFFFAOYSA-N -1 3 368.806 0.935 10 0 FCAEHM O=S(=O)([N-]CCC1CS(=O)(=O)C1)c1ccc(Cl)c2nonc21 ZINC000814391458 669882699 /nfs/dbraw/zinc/88/26/99/669882699.db2.gz ZFRKIJNPWQQQIA-UHFFFAOYSA-N -1 3 365.820 0.589 10 0 FCAEHM CC[C@]1(C)NC(=O)N([N-]C(=O)[C@@H](C[C@@H]2COCCO2)C(F)(F)F)C1=O ZINC000834790669 669975027 /nfs/dbraw/zinc/97/50/27/669975027.db2.gz VGGCAYFJDFEBOY-KKFJDGPESA-N -1 3 367.324 0.722 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-]CCCCO)c1I ZINC000867203114 670071369 /nfs/dbraw/zinc/07/13/69/670071369.db2.gz OLPLCGHCBOOWJF-UHFFFAOYSA-N -1 3 359.189 0.076 10 0 FCAEHM C[C@@H](CC(=O)N[C@H]1C[C@@](C)(O)C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000841450777 670560763 /nfs/dbraw/zinc/56/07/63/670560763.db2.gz SVBJBQVWENRMHZ-PKFCDNJMSA-N -1 3 361.851 0.822 10 0 FCAEHM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1C[C@H](C)N(CCO)C[C@@H]1C ZINC000841458436 670562468 /nfs/dbraw/zinc/56/24/68/670562468.db2.gz ZOLCMBDKJNQDBS-SRVKXCTJSA-N -1 3 353.385 0.603 10 0 FCAEHM CCOC(=O)COCC[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867345430 670884488 /nfs/dbraw/zinc/88/44/88/670884488.db2.gz OXHGUWIVOQNVKX-UHFFFAOYSA-N -1 3 370.225 0.041 10 0 FCAEHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]CC[C@@]2(O)CCOC2)c1F ZINC000845985909 671061494 /nfs/dbraw/zinc/06/14/94/671061494.db2.gz BPITVJRJBSSNLF-CQSZACIVSA-N -1 3 365.354 0.571 10 0 FCAEHM COC[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000846435400 671109957 /nfs/dbraw/zinc/10/99/57/671109957.db2.gz XQWCWFAHVNJOPC-QWHCGFSZSA-N -1 3 374.434 0.734 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)ccc1F ZINC000846558892 671126468 /nfs/dbraw/zinc/12/64/68/671126468.db2.gz JDNXXSCLKXUHLJ-RSPIHXBNSA-N -1 3 374.459 0.858 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H]2CN(C3CC3)C(=O)O2)oc1C ZINC000848513784 671283083 /nfs/dbraw/zinc/28/30/83/671283083.db2.gz PGTRBSHNEPRJLW-SNVBAGLBSA-N -1 3 358.372 0.636 10 0 FCAEHM COC(=O)c1nscc1S(=O)(=O)[N-]C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000848515127 671283267 /nfs/dbraw/zinc/28/32/67/671283267.db2.gz WQZBSCMLNXASMR-MRVPVSSYSA-N -1 3 361.401 0.191 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CCC1(CS(C)(=O)=O)CC1 ZINC000849415003 671340068 /nfs/dbraw/zinc/34/00/68/671340068.db2.gz FGPRHXGSRDJWTK-UHFFFAOYSA-N -1 3 369.896 0.875 10 0 FCAEHM COC[C@H](CC[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC)OC ZINC000849416092 671340284 /nfs/dbraw/zinc/34/02/84/671340284.db2.gz YHSUCTQNXDWSND-VIFPVBQESA-N -1 3 366.823 0.851 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]C2(CS(C)(=O)=O)COC2)c(F)c1F ZINC000903174624 675918150 /nfs/dbraw/zinc/91/81/50/675918150.db2.gz HSUVGLRYHJJRBX-UHFFFAOYSA-N -1 3 355.384 0.365 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCCO[C@H]2CC2(F)F)ccc1F ZINC000855609419 671655654 /nfs/dbraw/zinc/65/56/54/671655654.db2.gz YZDARHUXRRENGK-NSHDSACASA-N -1 3 352.334 0.888 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@](C)(CCF)C(=O)OC)ccc1F ZINC000855908945 671669402 /nfs/dbraw/zinc/66/94/02/671669402.db2.gz AMIQEJUXJAZIFL-CQSZACIVSA-N -1 3 364.370 0.755 10 0 FCAEHM CCOC(=O)C12CC(C1)CN2C(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000856249585 671681104 /nfs/dbraw/zinc/68/11/04/671681104.db2.gz CVPMMFNWIRQYPJ-UHFFFAOYSA-N -1 3 370.402 0.902 10 0 FCAEHM Cc1cc(S(=O)(=O)[N-]CC[C@H]2CNCCS2(=O)=O)c(F)cc1F ZINC000903540249 675940695 /nfs/dbraw/zinc/94/06/95/675940695.db2.gz CNXCFNYDEYADNF-JTQLQIEISA-N -1 3 368.427 0.328 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]C[C@@H](O)c2ccc(C)o2)on1 ZINC000859016697 671789464 /nfs/dbraw/zinc/78/94/64/671789464.db2.gz VQFZPUQSTJGHCB-GFCCVEGCSA-N -1 3 358.372 0.906 10 0 FCAEHM CC1(C)C[C@H](S(=O)(=O)[N-]N2C(=O)N[C@@](C)(c3ccccc3)C2=O)CO1 ZINC000859135427 671795758 /nfs/dbraw/zinc/79/57/58/671795758.db2.gz ULGRZACROKUMJE-LRDDRELGSA-N -1 3 367.427 0.856 10 0 FCAEHM O=C1OC[C@H]2CN(S(=O)(=O)c3ccc(Cl)c(-c4nnn[n-]4)c3)C[C@@H]12 ZINC000859420451 671826035 /nfs/dbraw/zinc/82/60/35/671826035.db2.gz YMOXVNVGJDQVOF-GMSGAONNSA-N -1 3 369.790 0.314 10 0 FCAEHM O=C1OC[C@H]2CN(S(=O)(=O)c3ccc(Cl)c(-c4nn[n-]n4)c3)C[C@@H]12 ZINC000859420451 671826038 /nfs/dbraw/zinc/82/60/38/671826038.db2.gz YMOXVNVGJDQVOF-GMSGAONNSA-N -1 3 369.790 0.314 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)OCc1cc(CO)ccc1F ZINC000859461908 671828986 /nfs/dbraw/zinc/82/89/86/671828986.db2.gz RHPXQNFNUMIEQU-UHFFFAOYSA-N -1 3 372.374 0.945 10 0 FCAEHM COC(=O)c1sc2[n-]c(CN3C[C@@H]4COC(=O)[C@@H]4C3)nc(=O)c2c1C ZINC000860160802 671873283 /nfs/dbraw/zinc/87/32/83/671873283.db2.gz IUGQKIXEYFTTKH-RKDXNWHRSA-N -1 3 363.395 0.684 10 0 FCAEHM O=C(c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000863762389 672151063 /nfs/dbraw/zinc/15/10/63/672151063.db2.gz RGTCPCDKUFHTBF-ZYHUDNBSSA-N -1 3 368.386 0.511 10 0 FCAEHM CN(OCC(F)(F)F)C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000863849847 672159851 /nfs/dbraw/zinc/15/98/51/672159851.db2.gz QXKZSJBPVFFICL-UHFFFAOYSA-N -1 3 360.086 0.664 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-]C[C@H]2CCCO2)c1I ZINC000866373753 672269358 /nfs/dbraw/zinc/26/93/58/672269358.db2.gz RPFMTYVMYXNHHO-SSDOTTSWSA-N -1 3 371.200 0.482 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@H]2CCCCNC2=O)c(Br)n1 ZINC000866481876 672277094 /nfs/dbraw/zinc/27/70/94/672277094.db2.gz TUDURARFEBFQGN-ZETCQYMHSA-N -1 3 351.226 0.130 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CCN2CCCCC2)c(Br)n1 ZINC000866498368 672278587 /nfs/dbraw/zinc/27/85/87/672278587.db2.gz YFDLPHKKYGXZEY-UHFFFAOYSA-N -1 3 351.270 0.947 10 0 FCAEHM C[C@@H](C[N-]S(=O)(=O)c1cn(C)nc1Br)Cn1cccn1 ZINC000866510693 672279171 /nfs/dbraw/zinc/27/91/71/672279171.db2.gz OUBCCMGDCREWRR-VIFPVBQESA-N -1 3 362.253 0.994 10 0 FCAEHM CCOC(=O)C(C)(C)[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000866719465 672292426 /nfs/dbraw/zinc/29/24/26/672292426.db2.gz VGAIFTBGLLOGJD-UHFFFAOYSA-N -1 3 354.226 0.803 10 0 FCAEHM COCCN1CCC[C@H]1C[N-]S(=O)(=O)c1nc[nH]c1Br ZINC000866724550 672293168 /nfs/dbraw/zinc/29/31/68/672293168.db2.gz NPDFCQXYFXHPAP-VIFPVBQESA-N -1 3 367.269 0.561 10 0 FCAEHM COC(=O)[C@H]([N-]S(=O)(=O)C[C@H]1CNCCO1)c1cc(F)ccc1F ZINC000866748411 672297268 /nfs/dbraw/zinc/29/72/68/672297268.db2.gz PVWQEOZSLPKRNP-ZWNOBZJWSA-N -1 3 364.370 0.087 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]C[C@H](O)c2ccco2)c(Br)n1 ZINC000866832191 672315485 /nfs/dbraw/zinc/31/54/85/672315485.db2.gz BJYSTLDBEMTSNV-ZETCQYMHSA-N -1 3 350.194 0.788 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-][C@@H](C)C(=O)OCc2ccccc2)CC1 ZINC000867482677 672323063 /nfs/dbraw/zinc/32/30/63/672323063.db2.gz BDGVDSIESXNGBB-LBPRGKRZSA-N -1 3 355.412 0.991 10 0 FCAEHM CCN1C[C@H](S(=O)(=O)[N-][C@H](C)C(=O)OCc2ccccc2)CC1=O ZINC000867483106 672323616 /nfs/dbraw/zinc/32/36/16/672323616.db2.gz OSZOXNRCIHKBHO-TZMCWYRMSA-N -1 3 354.428 0.659 10 0 FCAEHM CC[C@H]([N-]S(=O)(=O)c1cn(C)nc1Br)C(OC)OC ZINC000867493261 672325759 /nfs/dbraw/zinc/32/57/59/672325759.db2.gz HHVOBCRYEGGXPH-ZETCQYMHSA-N -1 3 356.242 0.858 10 0 FCAEHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cn(C)nc2Br)c2ncnn21 ZINC000867499742 672326852 /nfs/dbraw/zinc/32/68/52/672326852.db2.gz WPIJKABFAZSPRI-RNFRBKRXSA-N -1 3 361.225 0.758 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]C[C@H](CO)CC2CC2)c(Br)n1 ZINC000867521274 672330441 /nfs/dbraw/zinc/33/04/41/672330441.db2.gz UVCZWCRYUOOXGD-SECBINFHSA-N -1 3 352.254 0.870 10 0 FCAEHM COC(=O)[C@H](CCC1OCCO1)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000867763423 672364795 /nfs/dbraw/zinc/36/47/95/672364795.db2.gz YJGKQVWVSNCCCR-ZDUSSCGKSA-N -1 3 361.391 0.940 10 0 FCAEHM Cc1cccc(CN2CCO[C@@H](C[N-]S(=O)(=O)c3nncn3C)C2)c1 ZINC000867791710 672368173 /nfs/dbraw/zinc/36/81/73/672368173.db2.gz QJGBINNUTUEPOQ-HNNXBMFYSA-N -1 3 365.459 0.303 10 0 FCAEHM CO[C@H]1CC[C@@H](C)N(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC000870709033 672506336 /nfs/dbraw/zinc/50/63/36/672506336.db2.gz YNXHFWJTLBWPIB-BDAKNGLRSA-N -1 3 360.208 0.737 10 0 FCAEHM CO[C@H]1CC[C@H](C)N(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC000870709037 672506441 /nfs/dbraw/zinc/50/64/41/672506441.db2.gz YNXHFWJTLBWPIB-IUCAKERBSA-N -1 3 360.208 0.737 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(C)c3ncccc3C2)c(C)o1 ZINC000872304197 672611725 /nfs/dbraw/zinc/61/17/25/672611725.db2.gz GMVMQSWDENPTQZ-UHFFFAOYSA-N -1 3 364.427 0.983 10 0 FCAEHM O=C(CCCc1ccc([O-])c(F)c1)N1CCS(=O)(=O)C[C@H]1CCO ZINC000928508744 673914555 /nfs/dbraw/zinc/91/45/55/673914555.db2.gz NERRZORYUDPZKH-CYBMUJFWSA-N -1 3 359.419 0.862 10 0 FCAEHM CS(=O)(=O)N1CC(CN2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC000929992247 673990709 /nfs/dbraw/zinc/99/07/09/673990709.db2.gz ORBDVPIMDUSQTG-UHFFFAOYSA-N -1 3 353.444 0.041 10 0 FCAEHM COC(=O)C1CC2(C1)CN(C(=O)CN1[C@H](C)CC[C@@H]1C)C[C@H]2C(=O)[O-] ZINC000902747247 675890532 /nfs/dbraw/zinc/89/05/32/675890532.db2.gz SFBUEPVRIJNAHB-GVKYDWODSA-N -1 3 352.431 0.972 10 0 FCAEHM COC(=O)C1CC2(C1)CN(C(=O)CN1[C@H](C)CC[C@H]1C)C[C@@H]2C(=O)[O-] ZINC000902747249 675890551 /nfs/dbraw/zinc/89/05/51/675890551.db2.gz SFBUEPVRIJNAHB-VVSKCKASSA-N -1 3 352.431 0.972 10 0 FCAEHM CC[C@H](CNC(=O)c1cnc[n-]c1=O)NC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001746166352 1192278390 /nfs/dbraw/zinc/27/83/90/1192278390.db2.gz CLJQPUNVLGBZDG-HZSPNIEDSA-N -1 3 362.430 0.870 10 0 FCAEHM COC(=O)[C@@H](NCCCNC(=O)Cc1c(C)nc(C)[n-]c1=O)C(C)C ZINC001648792720 1168337338 /nfs/dbraw/zinc/33/73/38/1168337338.db2.gz YVOXNGAYZOEIFZ-HNNXBMFYSA-N -1 3 352.435 0.635 10 0 FCAEHM C[C@H](CC(N)=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC001625854988 1168374093 /nfs/dbraw/zinc/37/40/93/1168374093.db2.gz DQDZDFNVWPFYSL-MRVPVSSYSA-N -1 3 365.814 0.385 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1ns[nH]c1=O ZINC001625854772 1168374320 /nfs/dbraw/zinc/37/43/20/1168374320.db2.gz CPTBTOQXDCNAQX-UHFFFAOYSA-N -1 3 364.355 0.230 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@H]1CCN(C(=O)[C@H](O)C(C)C)[C@@H]1C ZINC001719626982 1170841901 /nfs/dbraw/zinc/84/19/01/1170841901.db2.gz DWRIGVFVNMSBRU-IVMMDQJWSA-N -1 3 364.446 0.546 10 0 FCAEHM COc1cc(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)nn1C ZINC000548473607 1171085047 /nfs/dbraw/zinc/08/50/47/1171085047.db2.gz WXMZKKZINPHEAI-UHFFFAOYSA-N -1 3 368.397 1.454 10 0 FCAEHM CO[C@@H](C(=O)N[C@H]1CCN(C(=O)c2c(C)nc[n-]c2=O)[C@@H]1C)C(C)C ZINC001719642394 1171392500 /nfs/dbraw/zinc/39/25/00/1171392500.db2.gz XFAQBFFHFGRWLE-MBNYWOFBSA-N -1 3 350.419 0.881 10 0 FCAEHM O=C([C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898220710 1192863037 /nfs/dbraw/zinc/86/30/37/1192863037.db2.gz FKXUPVJWYORLHU-RBSFLKMASA-N -1 3 374.441 0.872 10 0 FCAEHM CCC(=O)NCC(=O)N1C[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@]2(C)C1 ZINC001719677407 1179330051 /nfs/dbraw/zinc/33/00/51/1179330051.db2.gz RFYGQRYWPQPBJA-YJYMSZOUSA-N -1 3 359.426 0.839 10 0 FCAEHM C[C@@H]1CN(C(=O)COC(C)(C)C)C[C@H]1CNC(=O)c1cnc[n-]c1=O ZINC001719716999 1179747112 /nfs/dbraw/zinc/74/71/12/1179747112.db2.gz JKUOSQLAFWAXCH-VXGBXAGGSA-N -1 3 350.419 0.822 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)C[C@H]1CCNC(=O)c1cnc[n-]c1=O ZINC001719759593 1179898896 /nfs/dbraw/zinc/89/88/96/1179898896.db2.gz MIUOOMFPXPQFLC-DGCLKSJQSA-N -1 3 371.397 0.811 10 0 FCAEHM CC(C)[C@H](CNC(=O)c1cnc[n-]c1=O)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001746821622 1181980486 /nfs/dbraw/zinc/98/04/86/1181980486.db2.gz VCWARDMXRDNHPT-JPNYFKRKSA-N -1 3 360.414 0.476 10 0 FCAEHM O=C(CCCn1cncn1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc[n-]c1=O)C2 ZINC001719841414 1186254480 /nfs/dbraw/zinc/25/44/80/1186254480.db2.gz KIIXSTHKPSOFOP-XBFCOCLRSA-N -1 3 371.401 0.116 10 0 FCAEHM CCCN(CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(=O)c1c(C)nc[n-]c1=O ZINC001745468330 1186600306 /nfs/dbraw/zinc/60/03/06/1186600306.db2.gz LRGYLTFHZDXLCZ-AQRJEWBLSA-N -1 3 374.441 0.882 10 0 FCAEHM C[C@](CNCc1cc(=O)n2[n-]ccc2n1)(NC(=O)[C@]12C[C@H]1COC2)C1CC1 ZINC001269620100 1187859395 /nfs/dbraw/zinc/85/93/95/1187859395.db2.gz ZDHVNNZVUCAKED-BKTGTZMESA-N -1 3 371.441 0.434 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)CC2)n1 ZINC000899502327 1194164433 /nfs/dbraw/zinc/16/44/33/1194164433.db2.gz OVZSIYLWGNNVAV-CQSZACIVSA-N -1 3 373.457 0.930 10 0 FCAEHM CC(C)(C)OC(=O)Cn1cnc([N-]C(=O)c2cn(-c3cccnc3)nn2)n1 ZINC000592653882 1196572675 /nfs/dbraw/zinc/57/26/75/1196572675.db2.gz LCGJHTULTCHHQF-UHFFFAOYSA-N -1 3 370.373 0.848 10 0 FCAEHM CN(CCN(C)C(=O)[C@@H]1C[C@H]1c1ccncc1)C(=O)c1cnc[n-]c1=O ZINC001746906636 1198009370 /nfs/dbraw/zinc/00/93/70/1198009370.db2.gz LYLHDNPQJJQWPY-UONOGXRCSA-N -1 3 355.398 0.911 10 0 FCAEHM CN(C)[C@@H]1CCOc2c(NC(=O)CCn3cc[n-]c(=O)c3=O)cccc21 ZINC000790238486 1201060613 /nfs/dbraw/zinc/06/06/13/1201060613.db2.gz AHNMPQNVKMEUJR-CQSZACIVSA-N -1 3 358.398 0.951 10 0 FCAEHM NS(=O)(=O)c1cc([N-]C(=O)c2coc3c2C(=O)NCCC3)cs1 ZINC001649147645 1203152751 /nfs/dbraw/zinc/15/27/51/1203152751.db2.gz PVBBKGVKWMHCLJ-UHFFFAOYSA-N -1 3 355.397 0.917 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)[C@@H]2CCN(Cc3ccccc3)C2=O)n[n-]1 ZINC001136933160 1203302281 /nfs/dbraw/zinc/30/22/81/1203302281.db2.gz XHBAXVOHVIAQLJ-LBPRGKRZSA-N -1 3 357.370 0.507 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)[C@H]2CCN2Cc2ccc(OC)cc2)n[n-]1 ZINC001136932256 1203302309 /nfs/dbraw/zinc/30/23/09/1203302309.db2.gz MDVNPKHLLZVTDT-CYBMUJFWSA-N -1 3 359.386 0.742 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)COCC(=O)OC(C)(C)C)cc2n(C)c1=O ZINC000843891269 1203321303 /nfs/dbraw/zinc/32/13/03/1203321303.db2.gz JRSLCZXWJDNPTI-UHFFFAOYSA-N -1 3 365.386 0.879 10 0 FCAEHM CC[C@H](CNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])C(=O)OC ZINC000844024872 1203328298 /nfs/dbraw/zinc/32/82/98/1203328298.db2.gz PVZDCDBNXSPBJT-SNVBAGLBSA-N -1 3 363.345 0.803 10 0 FCAEHM CC[C@H](CNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O)C(=O)OC ZINC000844024872 1203328299 /nfs/dbraw/zinc/32/82/99/1203328299.db2.gz PVZDCDBNXSPBJT-SNVBAGLBSA-N -1 3 363.345 0.803 10 0 FCAEHM CNC(=O)COc1ccc(C(=O)NCCc2c(C)[n-][nH]c2=O)cc1OC ZINC001144233269 1204438896 /nfs/dbraw/zinc/43/88/96/1204438896.db2.gz UZVOWQMBAIKNBM-GFCCVEGCSA-N -1 3 362.386 0.062 10 0 FCAEHM CC(C)(C)OC(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@H]2CCC(=O)O2)n1 ZINC001148213220 1204822991 /nfs/dbraw/zinc/82/29/91/1204822991.db2.gz RPTZGXGTPLPIRX-SNVBAGLBSA-N -1 3 366.374 0.529 10 0 FCAEHM COC(=O)[C@@H]1CN(C)C(=O)CN1Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC001176783379 1206320374 /nfs/dbraw/zinc/32/03/74/1206320374.db2.gz VHEYSURFIRWKSZ-ZDUSSCGKSA-N -1 3 360.366 0.623 10 0 FCAEHM CCC[C@@H]1C[C@H]1C(=O)N(C)C[C@H](O)CNC(=O)c1cccc2n[n-]nc21 ZINC001488406099 1208507933 /nfs/dbraw/zinc/50/79/33/1208507933.db2.gz QTYHKCJCKZUQJR-YRGRVCCFSA-N -1 3 359.430 0.943 10 0 FCAEHM CC/C=C(/C)C(=O)N[C@@H]1CN(C(=O)c2nnc3ccccc3c2[O-])C[C@H]1O ZINC001489302489 1208735422 /nfs/dbraw/zinc/73/54/22/1208735422.db2.gz CCOJRFRLPKNOMN-JDBPXVJJSA-N -1 3 370.409 0.993 10 0 FCAEHM CCCC[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@@H]1O ZINC001489573800 1208950600 /nfs/dbraw/zinc/95/06/00/1208950600.db2.gz OXLRGDAVWDTFRO-RTXFEEFZSA-N -1 3 350.419 0.618 10 0 FCAEHM O=C(CCCNC(=O)C1CC1)NC[C@H]1CC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC001489883930 1209103478 /nfs/dbraw/zinc/10/34/78/1209103478.db2.gz ODBNWBYGMMYXMH-WCQYABFASA-N -1 3 362.434 0.126 10 0 FCAEHM CCO[C@H](C)C(=O)NC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1OCC ZINC001489932134 1209165528 /nfs/dbraw/zinc/16/55/28/1209165528.db2.gz XHYDPUOQDUPJFW-YRGRVCCFSA-N -1 3 366.418 0.201 10 0 FCAEHM CC(C)[C@@H](O)C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)c1cnc[n-]c1=O ZINC001489953071 1209178274 /nfs/dbraw/zinc/17/82/74/1209178274.db2.gz WQUVXNTVPPRDIH-MBNYWOFBSA-N -1 3 350.419 0.556 10 0 FCAEHM CO[C@H](C)C(=O)NCc1cc(=O)[n-]c(CNC(=O)C[C@@H]2C[C@H]2C2CC2)n1 ZINC001489968573 1209185051 /nfs/dbraw/zinc/18/50/51/1209185051.db2.gz PEELJPJOVUAYDV-OSMZGAPFSA-N -1 3 362.430 0.886 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@@]2(C)CCOC2)n1 ZINC001489969410 1209185723 /nfs/dbraw/zinc/18/57/23/1209185723.db2.gz FPLRUULVWAYHMH-BVRBVLIYSA-N -1 3 362.430 0.887 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@]2(C)CCOC2)n1 ZINC001489969408 1209185870 /nfs/dbraw/zinc/18/58/70/1209185870.db2.gz FPLRUULVWAYHMH-AEDCBLDQSA-N -1 3 362.430 0.887 10 0 FCAEHM COC[C@H](C)C(=O)N[C@H]1CCN(C(=O)CCc2c(C)nc[n-]c2=O)[C@@H]1C ZINC001490080875 1209245851 /nfs/dbraw/zinc/24/58/51/1209245851.db2.gz UHVLOTLIHVQGIL-LNSITVRQSA-N -1 3 364.446 0.811 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)c2cccc3n[n-]nc32)CCN1C(=O)C(=O)NCC1CC1 ZINC001490095794 1209254319 /nfs/dbraw/zinc/25/43/19/1209254319.db2.gz ZCKQJOHSQCELFI-MFKMUULPSA-N -1 3 370.413 0.203 10 0 FCAEHM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@H]2C)c1[O-] ZINC001490128643 1209259432 /nfs/dbraw/zinc/25/94/32/1209259432.db2.gz ZOXONAABCDVLPG-MBNYWOFBSA-N -1 3 351.451 0.729 10 0 FCAEHM COCCCOCCC(=O)N[C@H]1CCN(C(=O)c2cnc[n-]c2=O)[C@@H]1C ZINC001490131115 1209261245 /nfs/dbraw/zinc/26/12/45/1209261245.db2.gz DMUWLWXEKJTBDB-OCCSQVGLSA-N -1 3 366.418 0.345 10 0 FCAEHM CCn1nnc(C)c1C(=O)[N-]N1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O ZINC000861707226 1209875436 /nfs/dbraw/zinc/87/54/36/1209875436.db2.gz QATWKTWTAOVZBF-QGZVFWFLSA-N -1 3 372.385 0.727 10 0 FCAEHM CC(=O)Nc1ccc([O-])c(C(=O)NCCNc2cc(C)nc3ncnn32)c1 ZINC001137124271 1210448354 /nfs/dbraw/zinc/44/83/54/1210448354.db2.gz AFDXXNZPUBJENY-UHFFFAOYSA-N -1 3 369.385 0.939 10 0 FCAEHM Cc1nn(C)cc1C1=NO[C@@H](C(=O)NCCNC(=O)c2ccc([O-])cc2)C1 ZINC001137463780 1216642133 /nfs/dbraw/zinc/64/21/33/1216642133.db2.gz ZFNCYJDBYVINNZ-MRXNPFEDSA-N -1 3 371.397 0.473 10 0 FCAEHM C[C@@H](OC(=O)c1cc(F)cc2[n-]nnc21)C(=O)N(C)CC(=O)NC1CC1 ZINC000800264010 1217959425 /nfs/dbraw/zinc/95/94/25/1217959425.db2.gz UEIVFZBNWKPJSL-MRVPVSSYSA-N -1 3 363.349 0.379 10 0 FCAEHM C[C@@H](OC(=O)c1cc(F)cc2nn[n-]c21)C(=O)N(C)CC(=O)NC1CC1 ZINC000800264010 1217959430 /nfs/dbraw/zinc/95/94/30/1217959430.db2.gz UEIVFZBNWKPJSL-MRVPVSSYSA-N -1 3 363.349 0.379 10 0 FCAEHM C[C@@H](OC(=O)c1cc(F)cc2n[n-]nc21)C(=O)N(C)CC(=O)NC1CC1 ZINC000800264010 1217959434 /nfs/dbraw/zinc/95/94/34/1217959434.db2.gz UEIVFZBNWKPJSL-MRVPVSSYSA-N -1 3 363.349 0.379 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)NCc1cccc(N2CCOCC2)n1 ZINC001116679694 1221379329 /nfs/dbraw/zinc/37/93/29/1221379329.db2.gz UNVVGUCMDHDKBF-UHFFFAOYSA-N -1 3 357.414 0.971 10 0 FCAEHM COC1CCN(C(C)(C)CNC(=O)C(=O)NCC2(C(=O)[O-])CCC2)CC1 ZINC001118549049 1221799017 /nfs/dbraw/zinc/79/90/17/1221799017.db2.gz VFOGMZLYLGPDGK-UHFFFAOYSA-N -1 3 369.462 0.363 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC[C@H](O)[C@H]1CCCO1 ZINC001118946745 1221848532 /nfs/dbraw/zinc/84/85/32/1221848532.db2.gz JIZPJTUXLKKVSS-JKSUJKDBSA-N -1 3 372.425 0.729 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)Cn3ncc4cccnc43)cc2n(C)c1=O ZINC001141698496 1222757680 /nfs/dbraw/zinc/75/76/80/1222757680.db2.gz HUDLXWOTKMLPPR-UHFFFAOYSA-N -1 3 352.354 0.966 10 0 FCAEHM O=C(CN1CC[C@H](c2ccccc2)NC1=O)NCCCc1c[n-][nH]c1=O ZINC001149262554 1222881330 /nfs/dbraw/zinc/88/13/30/1222881330.db2.gz LOLYQPUZMRASFM-LSDHHAIUSA-N -1 3 357.414 0.771 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC001149264006 1222881532 /nfs/dbraw/zinc/88/15/32/1222881532.db2.gz YJMUZPFFNOHSIX-HUUCEWRRSA-N -1 3 357.414 0.562 10 0 FCAEHM CNC(=O)COc1ccc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)cc1OC ZINC001164321746 1223237462 /nfs/dbraw/zinc/23/74/62/1223237462.db2.gz KFUGZNWUPDHOAV-LBPRGKRZSA-N -1 3 374.397 0.878 10 0 FCAEHM NC(=O)[C@H]1CC(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)=NN1c1ccccc1 ZINC001164348283 1223237974 /nfs/dbraw/zinc/23/79/74/1223237974.db2.gz JPGCBXROFKFHNF-GFCCVEGCSA-N -1 3 372.410 0.207 10 0 FCAEHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CCC(=O)NCC12COC2 ZINC000921800151 1245652564 /nfs/dbraw/zinc/65/25/64/1245652564.db2.gz KQMOZLHYOQKMBF-UHFFFAOYSA-N -1 3 363.320 0.537 10 0 FCAEHM COCCN(CCF)c1nnc(-c2cnc[n-]c2=O)n1C[C@H]1CCOC1 ZINC001516097637 1265536768 /nfs/dbraw/zinc/53/67/68/1265536768.db2.gz KDZGKZFQTGYXQU-GFCCVEGCSA-N -1 3 366.397 0.900 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(C(=O)c3cn4c(n3)COCC4)CC2)n[n-]1 ZINC001328946481 1265656586 /nfs/dbraw/zinc/65/65/86/1265656586.db2.gz MLTHPBDITAQPMW-UHFFFAOYSA-N -1 3 374.401 0.728 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(C(=O)c3cn4c(n3)COCC4)CC2)[n-]1 ZINC001328946481 1265656597 /nfs/dbraw/zinc/65/65/97/1265656597.db2.gz MLTHPBDITAQPMW-UHFFFAOYSA-N -1 3 374.401 0.728 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NCC(=O)N1CCCO1 ZINC001329046920 1265681846 /nfs/dbraw/zinc/68/18/46/1265681846.db2.gz VXJSKYUTMDOYNY-UHFFFAOYSA-N -1 3 371.397 0.353 10 0 FCAEHM CC(C)=CC(=O)NCc1nc(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc(=O)[n-]1 ZINC001519537035 1265729013 /nfs/dbraw/zinc/72/90/13/1265729013.db2.gz RWCIADTUVKXEIP-MCIONIFRSA-N -1 3 360.414 0.948 10 0 FCAEHM COc1cccc([C@@H](C)N2CCN(c3nnc(-c4nnn[n-]4)n3C)CC2)c1 ZINC001520117718 1265852075 /nfs/dbraw/zinc/85/20/75/1265852075.db2.gz SWSNSDFRCGYBET-GFCCVEGCSA-N -1 3 369.433 0.887 10 0 FCAEHM CCCC(=O)N1CSC[C@H]1C(=O)N1CCC(Cc2nnn[n-]2)CC1 ZINC001520523878 1265928689 /nfs/dbraw/zinc/92/86/89/1265928689.db2.gz LYJRRTJKVMNKQT-LBPRGKRZSA-N -1 3 352.464 0.682 10 0 FCAEHM CCCC(=O)N1CSC[C@H]1C(=O)N1CCC(Cc2nn[n-]n2)CC1 ZINC001520523878 1265928695 /nfs/dbraw/zinc/92/86/95/1265928695.db2.gz LYJRRTJKVMNKQT-LBPRGKRZSA-N -1 3 352.464 0.682 10 0 FCAEHM COCCOCC(=O)N1CC[C@H](NC(=O)c2cccc3n[n-]nc32)[C@H]1C ZINC001520730488 1265981570 /nfs/dbraw/zinc/98/15/70/1265981570.db2.gz WRZQOHXTWVHTFW-YPMHNXCESA-N -1 3 361.402 0.340 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@H]1CCN(C(=O)COC(C)C)[C@@H]1C ZINC001520858860 1266023692 /nfs/dbraw/zinc/02/36/92/1266023692.db2.gz QHDCZQXETCDFOU-HIFRSBDPSA-N -1 3 364.446 0.954 10 0 FCAEHM CN(C(=O)[C@@H]1C[C@H]1c1ccco1)[C@H](CNCc1nc(=O)n(C)[n-]1)C1CC1 ZINC001331332605 1266194706 /nfs/dbraw/zinc/19/47/06/1266194706.db2.gz HPZWTZKBMNWVNP-MGPQQGTHSA-N -1 3 359.430 0.832 10 0 FCAEHM CO[C@@H](C)CC(=O)N1C[C@@H](CNC(=O)c2c(C)nc[n-]c2=O)[C@H](C)C1 ZINC001521941675 1266245436 /nfs/dbraw/zinc/24/54/36/1266245436.db2.gz DDOOFZWFEIZAAW-NTZNESFSSA-N -1 3 350.419 0.740 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1C2CCC1(CO)CC2 ZINC001335310752 1259600184 /nfs/dbraw/zinc/60/01/84/1259600184.db2.gz DWZYYAQPXROYAU-UHFFFAOYSA-N -1 3 358.192 0.227 10 0 FCAEHM O=S(=O)([N-][C@H](CO)c1c(F)cccc1F)C1CCS(=O)(=O)CC1 ZINC001335332675 1259610492 /nfs/dbraw/zinc/61/04/92/1259610492.db2.gz HSBUYJGREPBBRI-GFCCVEGCSA-N -1 3 369.411 0.495 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CCC[C@H](N2CCCC2=O)C1 ZINC001251450939 1259748426 /nfs/dbraw/zinc/74/84/26/1259748426.db2.gz KJOAVTOAQRGWTG-KGLIPLIRSA-N -1 3 374.445 0.557 10 0 FCAEHM CN(Cc1cccc(C(N)=O)c1)C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001251450638 1259748840 /nfs/dbraw/zinc/74/88/40/1259748840.db2.gz BQWXWNIAUISUQE-AWEZNQCLSA-N -1 3 370.413 0.701 10 0 FCAEHM Cc1cccc(C[C@@H](CO)NC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)c1 ZINC001251450834 1259749258 /nfs/dbraw/zinc/74/92/58/1259749258.db2.gz HYXWBLYRVMPHAZ-HOTGVXAUSA-N -1 3 371.441 0.972 10 0 FCAEHM CON(C)C(=O)[C@@H](C)NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001253797930 1259857127 /nfs/dbraw/zinc/85/71/27/1259857127.db2.gz NJNDNDSTUVWDJY-GFCCVEGCSA-N -1 3 364.402 0.268 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N[C@@H]1CC(=O)N(CC2CC2)C1 ZINC001254652224 1259892306 /nfs/dbraw/zinc/89/23/06/1259892306.db2.gz HVVONRVSPUQQAB-CHWSQXEVSA-N -1 3 360.418 0.071 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CCNC(=O)c1cncn1C ZINC001522005904 1266292975 /nfs/dbraw/zinc/29/29/75/1266292975.db2.gz QBYMJEBHSIUYPS-VXGBXAGGSA-N -1 3 358.402 0.444 10 0 FCAEHM C[C@]1(c2ccccc2)C[C@H]1C(=O)NC[C@H](CO)NC(=O)c1cnc[n-]c1=O ZINC001337781479 1260483386 /nfs/dbraw/zinc/48/33/86/1260483386.db2.gz UPQWQFXNQRTMSR-FRIZHTMISA-N -1 3 370.409 0.367 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@@H](CO)NC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001337793931 1260486940 /nfs/dbraw/zinc/48/69/40/1260486940.db2.gz PUEQRDHJIVDOEB-FRRDWIJNSA-N -1 3 350.419 0.380 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NC[C@H](CO)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC001281119309 1261094175 /nfs/dbraw/zinc/09/41/75/1261094175.db2.gz IDOAKALMDJJNTA-YRGRVCCFSA-N -1 3 357.410 0.781 10 0 FCAEHM COCCC[C@H](C)C(=O)N1CC[C@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@H]21 ZINC001281632630 1261130613 /nfs/dbraw/zinc/13/06/13/1261130613.db2.gz OFYZVXFPNZXSQW-KCQAQPDRSA-N -1 3 362.430 0.918 10 0 FCAEHM CC[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2c[n-]c3ccccc3c2=O)C[C@H]1O ZINC001281640022 1261133016 /nfs/dbraw/zinc/13/30/16/1261133016.db2.gz MVQDYQCFZHWMFY-IUIKQTSFSA-N -1 3 357.410 0.876 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CC[C@H](CNC(=O)C[C@H]2CCOC2)C1 ZINC001282106659 1261340456 /nfs/dbraw/zinc/34/04/56/1261340456.db2.gz HSNGIJROLWLPNT-BFHYXJOUSA-N -1 3 362.430 0.932 10 0 FCAEHM CC[C@@H](C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cn[n-]n2)C1)N1CCCC1=O ZINC001282121236 1261345819 /nfs/dbraw/zinc/34/58/19/1261345819.db2.gz HDKVVOUCILZSLS-SCRDCRAPSA-N -1 3 362.434 0.220 10 0 FCAEHM CC(=O)N(C)CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1cnc[n-]c1=O ZINC001282195753 1261378234 /nfs/dbraw/zinc/37/82/34/1261378234.db2.gz ULTDMDAVFXQXOW-YPMHNXCESA-N -1 3 363.418 0.017 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NCc1cc(=O)[n-]c(CNC(=O)Cc2cnoc2)n1 ZINC001282234386 1261387845 /nfs/dbraw/zinc/38/78/45/1261387845.db2.gz PYAAYWZPGHIOIM-DGCLKSJQSA-N -1 3 359.386 0.691 10 0 FCAEHM CC=C(C)C(=O)NCc1nc(CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)cc(=O)[n-]1 ZINC001282235226 1261388152 /nfs/dbraw/zinc/38/81/52/1261388152.db2.gz VJNCZEBXQFBTAG-MXUOJZLISA-N -1 3 370.413 0.908 10 0 FCAEHM COCCCS(=O)(=O)[N-]CC(=O)N=[S@@](C)(=O)C1CCCCC1 ZINC001471988926 1261423013 /nfs/dbraw/zinc/42/30/13/1261423013.db2.gz WXBWWOLSALFDBB-NRFANRHFSA-N -1 3 354.494 0.899 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)c2cnc[n-]c2=O)CCN1C(=O)CCCC(=O)N(C)C ZINC001282359110 1261426217 /nfs/dbraw/zinc/42/62/17/1261426217.db2.gz CCXGPPYATXBKHU-YPMHNXCESA-N -1 3 363.418 0.160 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@H]1CCN(C(=O)c2cc[nH]n2)[C@@H]1C ZINC001282363652 1261429580 /nfs/dbraw/zinc/42/95/80/1261429580.db2.gz KDSAACXGYLYBMX-YPMHNXCESA-N -1 3 358.402 0.566 10 0 FCAEHM O=C(CNC(=O)OCc1ccccc1)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001472253483 1261455266 /nfs/dbraw/zinc/45/52/66/1261455266.db2.gz MWOJYMCXNPKUMC-AWEZNQCLSA-N -1 3 371.397 0.804 10 0 FCAEHM COc1cc2c(cc1C(=O)N[C@@H]1CCN(c3cc(=O)[n-]cn3)C1)OCO2 ZINC001472254043 1261455774 /nfs/dbraw/zinc/45/57/74/1261455774.db2.gz HTXZALAWNHLJNG-SNVBAGLBSA-N -1 3 358.354 0.928 10 0 FCAEHM Cn1cc(N2C[C@H](C(=O)Nc3n[n-]c(SCCO)n3)CCC2=O)cn1 ZINC001472527490 1261472843 /nfs/dbraw/zinc/47/28/43/1261472843.db2.gz TVNLVMAMCQUSCO-SECBINFHSA-N -1 3 365.419 0.004 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCOC[C@@H]1CC1CC1 ZINC001472623682 1261480286 /nfs/dbraw/zinc/48/02/86/1261480286.db2.gz GLBMQCIDAQSJRA-ZDUSSCGKSA-N -1 3 357.432 0.597 10 0 FCAEHM COCC1(C(=O)NC[C@@H]2CN(C(=O)c3c(C)nc[n-]c3=O)C[C@H]2C)CC1 ZINC001282495046 1261485561 /nfs/dbraw/zinc/48/55/61/1261485561.db2.gz PQHGIAZCKNJUSJ-DGCLKSJQSA-N -1 3 362.430 0.742 10 0 FCAEHM COC(=O)c1cc(C)nc2nc(SCCNS(C)(=O)=O)[n-]c(=O)c21 ZINC001472980977 1261488186 /nfs/dbraw/zinc/48/81/86/1261488186.db2.gz NRHTZQFOPMSHTB-UHFFFAOYSA-N -1 3 372.428 0.467 10 0 FCAEHM CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001282533920 1261510522 /nfs/dbraw/zinc/51/05/22/1261510522.db2.gz HAZHUPMVDKHUJS-TZMCWYRMSA-N -1 3 365.478 0.980 10 0 FCAEHM O=C(CCOCC1CC1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc[n-]c1=O)C2 ZINC001282751137 1261609675 /nfs/dbraw/zinc/60/96/75/1261609675.db2.gz BYDMJEVWHFIPNK-YUELXQCFSA-N -1 3 360.414 0.861 10 0 FCAEHM C[C@@H](CNC(=O)[C@H]1OCCO[C@H]1C)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001285742555 1261873465 /nfs/dbraw/zinc/87/34/65/1261873465.db2.gz RWAVLXYILWNXLL-BHDSKKPTSA-N -1 3 364.402 0.098 10 0 FCAEHM C[C@@]1(CNC(=O)[C@H]2C[C@H]2C(N)=O)CCCN(C(=O)c2ccccc2[O-])C1 ZINC001286167355 1261921319 /nfs/dbraw/zinc/92/13/19/1261921319.db2.gz QJDKCBJBEHJMLH-TYILLQQXSA-N -1 3 359.426 0.872 10 0 FCAEHM C[C@@H]1OCCO[C@@H]1C(=O)N(C)CCOCCNC(=O)c1ccccc1[O-] ZINC001287390752 1261952981 /nfs/dbraw/zinc/95/29/81/1261952981.db2.gz WKFUTGUFZCQXGG-BBRMVZONSA-N -1 3 366.414 0.401 10 0 FCAEHM CCOCCC1(C(=O)N2C[C@@H](NC(=O)c3cn[n-]n3)[C@H](OC)C2)CCC1 ZINC001289507599 1262229662 /nfs/dbraw/zinc/22/96/62/1262229662.db2.gz WVMRNVVCLYVMOK-ZIAGYGMSSA-N -1 3 365.434 0.357 10 0 FCAEHM CC[C@H](NC(C)=O)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2cnc[n-]c2=O)C1 ZINC001290161786 1262393298 /nfs/dbraw/zinc/39/32/98/1262393298.db2.gz POEOYWHUEYSHBP-SCRDCRAPSA-N -1 3 363.418 0.112 10 0 FCAEHM O=C(C[C@@H]1C[C@H]1C1CC1)NCc1cc(=O)[n-]c(CNC(=O)c2ccn[nH]2)n1 ZINC001290364040 1262433667 /nfs/dbraw/zinc/43/36/67/1262433667.db2.gz DRPGWPLXQQMHEZ-AAEUAGOBSA-N -1 3 370.413 0.888 10 0 FCAEHM CCNC(=O)CCC(=O)N[C@H]1CCN(C(=O)c2cnc[n-]c2=O)[C@@H]1CC ZINC001290402968 1262437153 /nfs/dbraw/zinc/43/71/53/1262437153.db2.gz XMINQKRHDHQJTE-QWHCGFSZSA-N -1 3 363.418 0.208 10 0 FCAEHM COCCO[C@@H](C)C(=O)N1CC[C@H](NC(=O)c2c(C)nc[n-]c2=O)[C@H]1C ZINC001290702889 1262498257 /nfs/dbraw/zinc/49/82/57/1262498257.db2.gz MHYHXYMNGLYOTJ-AGIUHOORSA-N -1 3 366.418 0.261 10 0 FCAEHM CO[C@H](C)CCC(=O)N1C[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@]2(C)C1 ZINC001290831112 1262515889 /nfs/dbraw/zinc/51/58/89/1262515889.db2.gz NABIFMOWRNGWRH-VFVRVIDISA-N -1 3 362.430 0.918 10 0 FCAEHM C[C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1CCNC(=O)c1ncccc1[O-] ZINC001291599206 1262564205 /nfs/dbraw/zinc/56/42/05/1262564205.db2.gz IIAFWNQWVTZLTD-VXGBXAGGSA-N -1 3 358.402 0.362 10 0 FCAEHM COCC1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2c(C)nc[n-]c2=O)C3)CC1 ZINC001292194154 1262664187 /nfs/dbraw/zinc/66/41/87/1262664187.db2.gz VVGGAJFCRFZJLE-UPJWGTAASA-N -1 3 360.414 0.779 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C ZINC001292969044 1262706820 /nfs/dbraw/zinc/70/68/20/1262706820.db2.gz BNEKSMUKHUHBCF-OLZOCXBDSA-N -1 3 367.450 0.166 10 0 FCAEHM COc1ccc(-n2cc(C(=O)N3CCc4c(=O)[n-]cnc4C3)nn2)cc1 ZINC001296369442 1262808098 /nfs/dbraw/zinc/80/80/98/1262808098.db2.gz UDTZPZYIRLRIHD-UHFFFAOYSA-N -1 3 352.354 0.970 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])N1CC([C@H]2CCOC2)C1 ZINC001297272731 1262858300 /nfs/dbraw/zinc/85/83/00/1262858300.db2.gz QRXQEDOKDNIXMU-NSHDSACASA-N -1 3 359.357 0.982 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c([O-])cc1=O)N1CC([C@H]2CCOC2)C1 ZINC001297272731 1262858305 /nfs/dbraw/zinc/85/83/05/1262858305.db2.gz QRXQEDOKDNIXMU-NSHDSACASA-N -1 3 359.357 0.982 10 0 FCAEHM CC[C@@H](CNC(=O)c1cccc2n[n-]nc21)NC(=O)[C@H]1OCCO[C@H]1C ZINC001297406514 1262865568 /nfs/dbraw/zinc/86/55/68/1262865568.db2.gz UYVMYHULSCVTBN-PGUXBMHVSA-N -1 3 361.402 0.386 10 0 FCAEHM C[C@@H](CNC(=O)[C@@H]1CC[C@H](Cc2ccccc2)O1)NC(=O)c1cn[n-]n1 ZINC001298821005 1262943409 /nfs/dbraw/zinc/94/34/09/1262943409.db2.gz XYPPYZLPJVORDU-BJJXKVORSA-N -1 3 357.414 0.830 10 0 FCAEHM Cn1cc(-n2cc(C(=O)N3CC[C@H](c4cc(=O)[nH][n-]4)C3)ccc2=O)cn1 ZINC001300192934 1262984749 /nfs/dbraw/zinc/98/47/49/1262984749.db2.gz CHJTYYXSKODDTB-NSHDSACASA-N -1 3 354.370 0.629 10 0 FCAEHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCN(c3nnc(C)n3C)CC2)c1 ZINC001300163026 1262984797 /nfs/dbraw/zinc/98/47/97/1262984797.db2.gz MXXLVMDJIPCYEW-UHFFFAOYSA-N -1 3 358.402 0.750 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)N2CCO[C@@H](Cn3ccnn3)C2)c([O-])c1 ZINC001301121395 1263000893 /nfs/dbraw/zinc/00/08/93/1263000893.db2.gz DCFPGNGQSZJPNE-CQSZACIVSA-N -1 3 373.413 0.340 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC001301561559 1263011745 /nfs/dbraw/zinc/01/17/45/1263011745.db2.gz NAEXFYAGLCDMLX-ZIAGYGMSSA-N -1 3 363.462 0.979 10 0 FCAEHM CC(C)(C)N1CC[C@@H](NC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)C1=O ZINC001478875319 1263150527 /nfs/dbraw/zinc/15/05/27/1263150527.db2.gz HHXBODQYHOHYRI-VXGBXAGGSA-N -1 3 362.434 0.460 10 0 FCAEHM CC(C)(C)N1CC[C@@H](NC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)C1=O ZINC001478875317 1263150605 /nfs/dbraw/zinc/15/06/05/1263150605.db2.gz HHXBODQYHOHYRI-NWDGAFQWSA-N -1 3 362.434 0.460 10 0 FCAEHM CCO[C@H](CC)C(=O)N1CC[C@@H](C)C[C@H]1CNCc1nc(=O)n(C)[n-]1 ZINC001479556102 1263252082 /nfs/dbraw/zinc/25/20/82/1263252082.db2.gz IJMVTLZKJCEDAO-HZSPNIEDSA-N -1 3 353.467 0.640 10 0 FCAEHM CSC[C@H](C)C(=O)N1CC[C@@H](C)C[C@H]1CNCc1nc(=O)n(C)[n-]1 ZINC001479557577 1263252801 /nfs/dbraw/zinc/25/28/01/1263252801.db2.gz PNXFTEKSECHJGY-AGIUHOORSA-N -1 3 355.508 0.824 10 0 FCAEHM COC[C@@H](O)CN1CC[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)[C@H]1C ZINC001479725139 1263399272 /nfs/dbraw/zinc/39/92/72/1263399272.db2.gz GKEMARULURIQDM-VWYCJHECSA-N -1 3 350.375 0.128 10 0 FCAEHM O=C(NCCCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)c1cccc2n[n-]nc21 ZINC001491715545 1263614533 /nfs/dbraw/zinc/61/45/33/1263614533.db2.gz QKBXRRHIXPMCCS-MQIPJXDCSA-N -1 3 373.413 0.246 10 0 FCAEHM C[C@@H](CNC(=O)[C@]12C[C@H]1COC2)NC(=O)c1nnc2ccccc2c1[O-] ZINC001494758427 1263780675 /nfs/dbraw/zinc/78/06/75/1263780675.db2.gz FVSUCZQZEDKZKJ-FHGNATFXSA-N -1 3 356.382 0.606 10 0 FCAEHM CC(C)[C@@H](CCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)NCc1n[nH]c(=O)[n-]1 ZINC001506988021 1264347707 /nfs/dbraw/zinc/34/77/07/1264347707.db2.gz GKCIPUVLPHRLBR-RMRHIDDWSA-N -1 3 351.451 0.946 10 0 FCAEHM Cn1[n-]cc2c(=NC(=O)C(=O)Nc3cnn(-c4ccncc4)c3)ccnc1-2 ZINC001323676149 1264483449 /nfs/dbraw/zinc/48/34/49/1264483449.db2.gz VTPGLVWCYSLCPO-UHFFFAOYSA-N -1 3 362.353 0.500 10 0 FCAEHM O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001324137288 1264582203 /nfs/dbraw/zinc/58/22/03/1264582203.db2.gz UCLPVKOQMIJQRT-MUJYYYPQSA-N -1 3 357.410 0.591 10 0 FCAEHM COC[C@@H](C(N)=O)N(C)C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC001324371717 1264628216 /nfs/dbraw/zinc/62/82/16/1264628216.db2.gz OYBMNWGTXCPBFN-AWEZNQCLSA-N -1 3 373.413 0.032 10 0 FCAEHM CCC(CC)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001513030450 1264870718 /nfs/dbraw/zinc/87/07/18/1264870718.db2.gz SGELSCFWTZGDNK-CHWSQXEVSA-N -1 3 350.419 0.618 10 0 FCAEHM O=C(C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)N1CC[C@@]12CCOC2 ZINC001325472036 1264899055 /nfs/dbraw/zinc/89/90/55/1264899055.db2.gz SORQJJYDNOXNKQ-IBGZPJMESA-N -1 3 373.409 0.068 10 0 FCAEHM O=C([O-])COCC(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC001326390260 1265102761 /nfs/dbraw/zinc/10/27/61/1265102761.db2.gz HEZACVFSOAPZFS-UHFFFAOYSA-N -1 3 363.414 0.230 10 0 FCAEHM C[C@H](OCC1CC1)C(=O)N1CC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)[C@@H]2C1 ZINC001513949664 1265302931 /nfs/dbraw/zinc/30/29/31/1265302931.db2.gz RCFCSVMTWDRZIQ-NJZAAPMLSA-N -1 3 360.414 0.670 10 0 FCAEHM O=C(COCC(F)F)N1C[C@H]2CCN(C(=O)c3cnc[n-]c3=O)C[C@H]21 ZINC001513995900 1265313467 /nfs/dbraw/zinc/31/34/67/1265313467.db2.gz LLNDEFGFPDTOBS-MWLCHTKSSA-N -1 3 356.329 0.137 10 0 FCAEHM O=C(COCC(F)F)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O ZINC001522307117 1266482230 /nfs/dbraw/zinc/48/22/30/1266482230.db2.gz APWHYEZSWUNYAE-IEBDPFPHSA-N -1 3 356.329 0.326 10 0 FCAEHM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@H]1CCn2ccnc21 ZINC001522663535 1266570951 /nfs/dbraw/zinc/57/09/51/1266570951.db2.gz GYQDQZWHQYKCGX-AWEZNQCLSA-N -1 3 372.429 0.718 10 0 FCAEHM O=C(NCCNC(=O)[C@]12CCC[C@H]1OCC2)c1cc(=O)[n-]c(C2CC2)n1 ZINC001522703480 1266576078 /nfs/dbraw/zinc/57/60/78/1266576078.db2.gz KHECRVSONSEMQP-ACJLOTCBSA-N -1 3 360.414 0.865 10 0 FCAEHM C(Cc1nnc(N2C[C@@H]3CCC[C@@H]3C2)n1C[C@@H]1CCCO1)c1nnn[n-]1 ZINC001525277183 1266750908 /nfs/dbraw/zinc/75/09/08/1266750908.db2.gz YJKJNGHGWGKEKJ-MJBXVCDLSA-N -1 3 358.450 0.992 10 0 FCAEHM C(Cc1nnc(N2C[C@@H]3CCC[C@@H]3C2)n1C[C@@H]1CCCO1)c1nn[n-]n1 ZINC001525277183 1266750915 /nfs/dbraw/zinc/75/09/15/1266750915.db2.gz YJKJNGHGWGKEKJ-MJBXVCDLSA-N -1 3 358.450 0.992 10 0 FCAEHM C[C@@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001526833853 1266844272 /nfs/dbraw/zinc/84/42/72/1266844272.db2.gz ZGJVXUFIXAJJEZ-PXYJVIPOSA-N -1 3 372.425 0.718 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CC[C@@H]1[C@@H]1CCCOC1 ZINC001529370844 1267057913 /nfs/dbraw/zinc/05/79/13/1267057913.db2.gz ZRLKEVNKTPWHOB-MWLCHTKSSA-N -1 3 372.219 0.739 10 0 FCAEHM Cn1cc([C@@H]2C[C@H]2C(=O)NCC2(NC(=O)c3cnc[n-]c3=O)CC2)cn1 ZINC001536034881 1267315750 /nfs/dbraw/zinc/31/57/50/1267315750.db2.gz WJHFIZAIFNPFKO-NWDGAFQWSA-N -1 3 356.386 0.098 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)CNc1ccc(S(C)(=O)=O)cc1 ZINC001542942366 1267513323 /nfs/dbraw/zinc/51/33/23/1267513323.db2.gz ZAMSVRWYXDOCPS-ZDUSSCGKSA-N -1 3 352.416 0.130 10 0 FCAEHM C[C@H]1CC(=O)NCCN1C(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001543501038 1267551182 /nfs/dbraw/zinc/55/11/82/1267551182.db2.gz OEHMULDSELOPBL-JTQLQIEISA-N -1 3 360.345 0.225 10 0 FCAEHM C[C@H]1CC(=O)NCCN1C(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001543501038 1267551192 /nfs/dbraw/zinc/55/11/92/1267551192.db2.gz OEHMULDSELOPBL-JTQLQIEISA-N -1 3 360.345 0.225 10 0 FCAEHM Cn1nnc(C(=O)[N-]c2ccc3c(c2Br)S(=O)(=O)CC3)n1 ZINC001543644004 1267554555 /nfs/dbraw/zinc/55/45/55/1267554555.db2.gz HGWIOGAZSPLURL-UHFFFAOYSA-N -1 3 372.204 0.555 10 0 FCAEHM CON(C)C[C@H](O)Cn1cc(NC(=O)c2[n-]cnc2C(F)(F)F)cn1 ZINC001545831178 1267624774 /nfs/dbraw/zinc/62/47/74/1267624774.db2.gz LGPPWXSSXNQBPE-VIFPVBQESA-N -1 3 362.312 0.731 10 0 FCAEHM CON(C)C[C@H](O)Cn1cc(NC(=O)c2nc[n-]c2C(F)(F)F)cn1 ZINC001545831178 1267624781 /nfs/dbraw/zinc/62/47/81/1267624781.db2.gz LGPPWXSSXNQBPE-VIFPVBQESA-N -1 3 362.312 0.731 10 0 FCAEHM CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]cn1)[C@H](C)CNC(=O)c1cnc[n-]c1=O ZINC001340112517 1268440086 /nfs/dbraw/zinc/44/00/86/1268440086.db2.gz FDAUUGLSIACCFM-IJLUTSLNSA-N -1 3 358.402 0.676 10 0 FCAEHM C[C@@H](OCC1CC1)C(=O)N1C[C@@H]2CCN(C(=O)c3cnc[n-]c3=O)[C@@H]2C1 ZINC001341064624 1268768575 /nfs/dbraw/zinc/76/85/75/1268768575.db2.gz KCTMYTUOFXPOGU-OSAQELSMSA-N -1 3 360.414 0.670 10 0 FCAEHM CO[C@@H](CC(C)C)C(=O)N1CC[C@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@H]21 ZINC001341166014 1268825017 /nfs/dbraw/zinc/82/50/17/1268825017.db2.gz DWZIMMKPRNQTAY-CFVMTHIKSA-N -1 3 362.430 0.916 10 0 FCAEHM O=C(CNC(=O)c1cnc(Cl)c(Cl)c1)NCCCc1c[n-][nH]c1=O ZINC001557701455 1268967585 /nfs/dbraw/zinc/96/75/85/1268967585.db2.gz PWPILJOKZJRHQC-MRVPVSSYSA-N -1 3 372.212 0.746 10 0 FCAEHM O=C(C[C@@H]1CS(=O)(=O)c2ccccc2O1)NCCCc1c[n-][nH]c1=O ZINC001557700821 1268968107 /nfs/dbraw/zinc/96/81/07/1268968107.db2.gz AOGGBAABJRTTMB-NWDGAFQWSA-N -1 3 365.411 0.240 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)[C@H](O)[C@@H](O)c1nc2ccccc2s1 ZINC001557702524 1268968681 /nfs/dbraw/zinc/96/86/81/1268968681.db2.gz WFYDEJFPVPQBID-ZWKOPEQDSA-N -1 3 362.411 0.319 10 0 FCAEHM CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)[N-]OCCN2CCCC2=O)C1 ZINC001557719758 1268971316 /nfs/dbraw/zinc/97/13/16/1268971316.db2.gz RXZLJBTWIQDROK-KRWDZBQOSA-N -1 3 371.434 0.419 10 0 FCAEHM C/C(=C/C(=O)N(C)CCc1nc([O-])c(C)c(=O)[nH]1)CN1CCOCC1 ZINC001558532285 1269106250 /nfs/dbraw/zinc/10/62/50/1269106250.db2.gz JZCPSQFMYCRVIO-BENRWUELSA-N -1 3 350.419 0.476 10 0 FCAEHM CC(C)OC(=O)c1cc(NC(=O)C2(O)CN(C(=O)OC(C)(C)C)C2)[n-]n1 ZINC001558560403 1269114038 /nfs/dbraw/zinc/11/40/38/1269114038.db2.gz RHRJERNDDKSWDN-UHFFFAOYSA-N -1 3 368.390 0.895 10 0 FCAEHM CC(C)OC(=O)c1cc(NC(=O)C2(O)CN(C(=O)OC(C)(C)C)C2)n[n-]1 ZINC001558560403 1269114042 /nfs/dbraw/zinc/11/40/42/1269114042.db2.gz RHRJERNDDKSWDN-UHFFFAOYSA-N -1 3 368.390 0.895 10 0 FCAEHM C[C@@H](NC(=O)CCCCCS(N)(=O)=O)c1nc(C(F)(F)F)n[n-]1 ZINC001558573649 1269115841 /nfs/dbraw/zinc/11/58/41/1269115841.db2.gz DCKPRYNZIGNPGV-SSDOTTSWSA-N -1 3 357.358 0.850 10 0 FCAEHM NC(=O)c1cccnc1N1CCN(Cc2nc3c(c(=O)[n-]2)COCC3)CC1 ZINC001559607297 1269172368 /nfs/dbraw/zinc/17/23/68/1269172368.db2.gz HUMCYKVDZQZBHQ-UHFFFAOYSA-N -1 3 370.413 0.071 10 0 FCAEHM CCOC(=O)[C@@H]1CN(Cc2cc(=O)n3nc(N)[n-]c3n2)CCC1(F)F ZINC001560038682 1269185020 /nfs/dbraw/zinc/18/50/20/1269185020.db2.gz SVSCSWXODBZWCG-VIFPVBQESA-N -1 3 356.333 0.020 10 0 FCAEHM CC[C@H]1COCCN1CCNC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001565246992 1269459040 /nfs/dbraw/zinc/45/90/40/1269459040.db2.gz BOMGTLNQRHNPAX-LBPRGKRZSA-N -1 3 365.434 0.165 10 0 FCAEHM CC[C@@H]1COCCN1CCNC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001565246991 1269459595 /nfs/dbraw/zinc/45/95/95/1269459595.db2.gz BOMGTLNQRHNPAX-GFCCVEGCSA-N -1 3 365.434 0.165 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2ccccc2[O-])CCN1CCN(C)S(C)(=O)=O ZINC001566006821 1269543867 /nfs/dbraw/zinc/54/38/67/1269543867.db2.gz PUQUHXYRAFVQMW-LSDHHAIUSA-N -1 3 369.487 0.866 10 0 FCAEHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)NCc1nc(=O)n(C)[n-]1 ZINC001567041026 1269676779 /nfs/dbraw/zinc/67/67/79/1269676779.db2.gz WXFCPKILYUNBOF-TVYUQYBPSA-N -1 3 365.384 0.785 10 0 FCAEHM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)NCc1nc(=O)n(C)[n-]1 ZINC001567041025 1269676875 /nfs/dbraw/zinc/67/68/75/1269676875.db2.gz WXFCPKILYUNBOF-JIMOISOXSA-N -1 3 365.384 0.785 10 0 FCAEHM COc1ccc(CNC(=O)C=CC(=O)N2CCc3nc[n-]c(=O)c3C2)cc1 ZINC001567762399 1269706648 /nfs/dbraw/zinc/70/66/48/1269706648.db2.gz QYDOYJRICZJPAF-SREVYHEPSA-N -1 3 368.393 0.948 10 0 FCAEHM CCN(CCNCc1cc(=O)n2[n-]ccc2n1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001568761476 1269748853 /nfs/dbraw/zinc/74/88/53/1269748853.db2.gz IYRZRCAGFPGEDJ-JSEZXORMSA-N -1 3 371.441 0.384 10 0 FCAEHM CC(C)C[C@H](C)C(=O)N1C[C@@H](NC(=O)c2cccc3n[n-]nc32)[C@@H](O)C1 ZINC001343401220 1269897755 /nfs/dbraw/zinc/89/77/55/1269897755.db2.gz JEJYGLVYUZGIKH-GLQYFDAESA-N -1 3 359.430 0.942 10 0 FCAEHM O=C(CCc1cncnc1)N[C@@H]1CCCC[C@H]1NC(=O)c1cnc[n-]c1=O ZINC001344126001 1270101630 /nfs/dbraw/zinc/10/16/30/1270101630.db2.gz RNZPRXJVHFXTJH-HUUCEWRRSA-N -1 3 370.413 0.762 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)N(CC)C(=O)c1cnc[n-]c1=O ZINC001572677895 1270105930 /nfs/dbraw/zinc/10/59/30/1270105930.db2.gz DEAFXZYFNVABLF-BZPMIXESSA-N -1 3 350.419 0.964 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)CO[C@@H]2CCOC2)CCN1C(=O)c1cnc[n-]c1=O ZINC001344818387 1270251479 /nfs/dbraw/zinc/25/14/79/1270251479.db2.gz SEANGSBKXKQNNH-KWCYVHTRSA-N -1 3 364.402 0.097 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)CO[C@H]2CCOC2)CCN1C(=O)c1cnc[n-]c1=O ZINC001344818384 1270251532 /nfs/dbraw/zinc/25/15/32/1270251532.db2.gz SEANGSBKXKQNNH-FPMFFAJLSA-N -1 3 364.402 0.097 10 0 FCAEHM CCO[C@@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001572932050 1270362625 /nfs/dbraw/zinc/36/26/25/1270362625.db2.gz RUENWRJUWXRGRN-DUVNUKRYSA-N -1 3 357.414 0.954 10 0 FCAEHM CO[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1NC(=O)[C@@H](C)C(C)(C)C ZINC001572959258 1270409995 /nfs/dbraw/zinc/40/99/95/1270409995.db2.gz QXGGFVKMASOPPN-RAIGVLPGSA-N -1 3 350.419 0.820 10 0 FCAEHM CCC[C@H](C)CC(=O)N1C[C@@H](NC(=O)c2c(C)nc[n-]c2=O)[C@@H](O)C1 ZINC001573024059 1270530916 /nfs/dbraw/zinc/53/09/16/1270530916.db2.gz AFRSAZVADXLACM-UHTWSYAYSA-N -1 3 350.419 0.618 10 0 FCAEHM CCCCC1(C(=O)N2C[C@@H](NC(=O)c3c(C)nc[n-]c3=O)[C@@H](O)C2)CC1 ZINC001573024431 1270531772 /nfs/dbraw/zinc/53/17/72/1270531772.db2.gz NCQPVYKBPZQMRT-OLZOCXBDSA-N -1 3 362.430 0.763 10 0 FCAEHM CSC[C@@H](C)C(=O)N1CC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)[C@@H]2C1 ZINC001573056823 1270576205 /nfs/dbraw/zinc/57/62/05/1270576205.db2.gz LJSOVCBSIYIDTA-NQBHXWOUSA-N -1 3 350.444 0.854 10 0 FCAEHM CC(=O)NC(C)(C)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001573185455 1270645042 /nfs/dbraw/zinc/64/50/42/1270645042.db2.gz GRZSPSROIUARNT-NWDGAFQWSA-N -1 3 363.418 0.112 10 0 FCAEHM COC[C@@H](OC)C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)c1cnc[n-]c1=O ZINC001573232844 1270698474 /nfs/dbraw/zinc/69/84/74/1270698474.db2.gz PMZRJGJUVLBGAS-MBNYWOFBSA-N -1 3 366.418 0.201 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)CCOC[C@@H]1CCCO1 ZINC001573534906 1270820526 /nfs/dbraw/zinc/82/05/26/1270820526.db2.gz KWAUIMSEFNJBES-AGIUHOORSA-N -1 3 351.407 0.110 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)C(=O)Nc2ccccc2)CCN1C(=O)c1cnc[n-]c1=O ZINC001573538820 1270821820 /nfs/dbraw/zinc/82/18/20/1270821820.db2.gz RSVIERUITXULBE-RISCZKNCSA-N -1 3 369.381 0.540 10 0 FCAEHM COC[C@@H](C)CC(=O)N1C[C@@H](CNC(=O)c2c(C)nc[n-]c2=O)[C@H](C)C1 ZINC001573892245 1270921298 /nfs/dbraw/zinc/92/12/98/1270921298.db2.gz WLXXJBSOIZWVSE-OUCADQQQSA-N -1 3 364.446 0.988 10 0 FCAEHM COCCOCC(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2cnc[n-]c2=O)C1 ZINC001574003253 1270987223 /nfs/dbraw/zinc/98/72/23/1270987223.db2.gz YFOUXLRZRUMFTF-CHWSQXEVSA-N -1 3 366.418 0.060 10 0 FCAEHM CC(C)C[C@@]1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cn[n-]n2)C3)CCNC1=O ZINC001574514564 1271299085 /nfs/dbraw/zinc/29/90/85/1271299085.db2.gz KWGYODHGDABASQ-QDTBLXIISA-N -1 3 374.445 0.219 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H](CNCc1nc(=O)n(C)[n-]1)CC(C)C ZINC001714918524 1287339157 /nfs/dbraw/zinc/33/91/57/1287339157.db2.gz QNEKHKWOVQFHJR-NFAWXSAZSA-N -1 3 353.467 0.544 10 0 FCAEHM Cn1[n-]c(CNC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2ccncc2)C2CC2)nc1=O ZINC001715111905 1287344255 /nfs/dbraw/zinc/34/42/55/1287344255.db2.gz PIQWAVJEKXYSAN-KHYOSLBOSA-N -1 3 370.457 0.682 10 0 FCAEHM CN(C)C(=O)N1CCC(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)CC1 ZINC001603292310 1287348200 /nfs/dbraw/zinc/34/82/00/1287348200.db2.gz PXIRIWYNBVITAN-ZDUSSCGKSA-N -1 3 362.434 0.271 10 0 FCAEHM CCOC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)C1 ZINC001603293485 1287348318 /nfs/dbraw/zinc/34/83/18/1287348318.db2.gz WWCRVRDFKBLKLY-OLZOCXBDSA-N -1 3 363.418 0.746 10 0 FCAEHM C[C@H](CNCc1nc(=O)n(C)[n-]1)NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001715942332 1287365599 /nfs/dbraw/zinc/36/55/99/1287365599.db2.gz PFNIQJXYHVCOPE-JIMOISOXSA-N -1 3 365.384 0.785 10 0 FCAEHM Cn1[n-]c(CNC[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C(C)(C)C)nc1=O ZINC001717964621 1287451236 /nfs/dbraw/zinc/45/12/36/1287451236.db2.gz ZYUMZBLYJZYMGV-WZUGGRCDSA-N -1 3 363.462 0.152 10 0 FCAEHM CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@@H](CNC(=O)c1cccc2n[n-]nc21)C1CC1 ZINC001718518507 1287513862 /nfs/dbraw/zinc/51/38/62/1287513862.db2.gz BOBKZDMTZOQDBZ-DYEKYZERSA-N -1 3 370.413 0.046 10 0 FCAEHM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)NC(=O)c1cnc[n-]c1=O ZINC001718595283 1287526279 /nfs/dbraw/zinc/52/62/79/1287526279.db2.gz QEKXJKJYPUDRSN-KGYLQXTDSA-N -1 3 358.402 0.296 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@H](CO)CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001718620320 1287532560 /nfs/dbraw/zinc/53/25/60/1287532560.db2.gz XLMWHCGXOVCKOO-ZOBORPQBSA-N -1 3 360.414 0.300 10 0 FCAEHM CC(C)C[C@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NC(=O)c1cnc[n-]c1=O ZINC001582861004 1282043667 /nfs/dbraw/zinc/04/36/67/1282043667.db2.gz PCAHPQLWTQXWAM-YAWIJTDMSA-N -1 3 374.441 0.866 10 0 FCAEHM CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)c1 ZINC001583357018 1282082621 /nfs/dbraw/zinc/08/26/21/1282082621.db2.gz FRVOJCNROAWTMX-SNVBAGLBSA-N -1 3 367.431 0.760 10 0 FCAEHM CCC(=O)N1CC[C@@H](NC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])C1 ZINC001631667397 1282104902 /nfs/dbraw/zinc/10/49/02/1282104902.db2.gz RKYUOHVFQOVMHS-GFCCVEGCSA-N -1 3 374.372 0.615 10 0 FCAEHM CCC(=O)N1CC[C@@H](NC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)C1 ZINC001631667397 1282104918 /nfs/dbraw/zinc/10/49/18/1282104918.db2.gz RKYUOHVFQOVMHS-GFCCVEGCSA-N -1 3 374.372 0.615 10 0 FCAEHM C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001631842511 1282123457 /nfs/dbraw/zinc/12/34/57/1282123457.db2.gz LDJWFPQAHCBKJE-QGZVFWFLSA-N -1 3 374.422 0.494 10 0 FCAEHM O=C(Nc1cc(Br)ccc1[O-])c1cnn(C[C@@H](O)CO)c1 ZINC001632247414 1282166305 /nfs/dbraw/zinc/16/63/05/1282166305.db2.gz RXBSUGPDQXZLRG-SNVBAGLBSA-N -1 3 356.176 0.957 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)[C@H]1CCCN1C(=O)OCC(F)(F)F ZINC001585938162 1282258751 /nfs/dbraw/zinc/25/87/51/1282258751.db2.gz UDIOVKWACVZCOH-VHSXEESVSA-N -1 3 364.324 0.778 10 0 FCAEHM COc1ccc(-n2nnc(C(=O)NCCCc3c[n-][nH]c3=O)c2C)cc1 ZINC001634138816 1282303560 /nfs/dbraw/zinc/30/35/60/1282303560.db2.gz OZLWBQAIUDHMMG-GFCCVEGCSA-N -1 3 356.386 0.826 10 0 FCAEHM CS(=O)(=O)c1ccc(Cl)c(C(=O)NCCCc2c[n-][nH]c2=O)n1 ZINC001634143091 1282303822 /nfs/dbraw/zinc/30/38/22/1282303822.db2.gz DQOYSKXSMHQJEY-QMMMGPOBSA-N -1 3 358.807 0.380 10 0 FCAEHM COC(=O)c1cccn(CC(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)c1=O ZINC001634469845 1282333090 /nfs/dbraw/zinc/33/30/90/1282333090.db2.gz VUCUEAFHAVLBOX-UHFFFAOYSA-N -1 3 372.381 0.714 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)[C@@H](C)[C@H](C)S(C)(=O)=O)CC2)n1 ZINC001634977980 1282369249 /nfs/dbraw/zinc/36/92/49/1282369249.db2.gz QHBQNHXMFQWOBK-RYUDHWBXSA-N -1 3 356.448 0.208 10 0 FCAEHM CCOC(=O)[C@]1(C)CN(C(=O)c2cc(S(=O)(=O)[N-]C)oc2C)CCO1 ZINC001587700349 1282374482 /nfs/dbraw/zinc/37/44/82/1282374482.db2.gz OEXFGZYZTTVJOW-HNNXBMFYSA-N -1 3 374.415 0.290 10 0 FCAEHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2nnc3ccc(N(C)C)nn32)c1 ZINC001635809243 1282434603 /nfs/dbraw/zinc/43/46/03/1282434603.db2.gz QJYNSTKXPTWWTG-UHFFFAOYSA-N -1 3 369.385 0.784 10 0 FCAEHM C[C@@H](NC(=O)[C@H]1COCCN1CC(F)F)c1nc(C(F)(F)F)n[n-]1 ZINC001636091309 1282459422 /nfs/dbraw/zinc/45/94/22/1282459422.db2.gz CAIMOZIJYHNYRX-RNFRBKRXSA-N -1 3 357.283 0.967 10 0 FCAEHM CCC[C@@H]1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)CCN1CCOC ZINC001636612160 1282523884 /nfs/dbraw/zinc/52/38/84/1282523884.db2.gz XMWXSFMQQMDHQS-CYBMUJFWSA-N -1 3 355.439 0.429 10 0 FCAEHM COC(=O)c1cc(NC(=O)[C@]2(OC)CCS(=O)(=O)C2)c([O-])c(OC)c1 ZINC001636737911 1282532664 /nfs/dbraw/zinc/53/26/64/1282532664.db2.gz GYDDFFKVSJWUFE-HNNXBMFYSA-N -1 3 373.383 0.330 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N(C)CCN(C(=O)[C@]12C[C@H]1COC2)C(C)C ZINC001718793021 1287579070 /nfs/dbraw/zinc/57/90/70/1287579070.db2.gz BUXKRTCWSZDFLU-UGSOOPFHSA-N -1 3 362.430 0.836 10 0 FCAEHM Cc1nn(C)cc1C1=NO[C@H](C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)C1 ZINC001636855836 1282542893 /nfs/dbraw/zinc/54/28/93/1282542893.db2.gz SSTBXLWEEXQGPK-RISCZKNCSA-N -1 3 371.401 0.112 10 0 FCAEHM CO[C@](C)(C(=O)OC(C)(C)C)C(=O)N1CCC(Cc2nnn[n-]2)CC1 ZINC001637152133 1282568275 /nfs/dbraw/zinc/56/82/75/1282568275.db2.gz MWUFMHAYXMHKCX-INIZCTEOSA-N -1 3 353.423 0.728 10 0 FCAEHM CO[C@](C)(C(=O)OC(C)(C)C)C(=O)N1CCC(Cc2nn[n-]n2)CC1 ZINC001637152133 1282568283 /nfs/dbraw/zinc/56/82/83/1282568283.db2.gz MWUFMHAYXMHKCX-INIZCTEOSA-N -1 3 353.423 0.728 10 0 FCAEHM Cc1nnc(COCC(=O)N2CCN(c3nc(C)cc(=O)[n-]3)CC2)s1 ZINC001638493273 1282700861 /nfs/dbraw/zinc/70/08/61/1282700861.db2.gz OCECWWKZNOEVPK-UHFFFAOYSA-N -1 3 364.431 0.516 10 0 FCAEHM Cc1nn(C)c(C)c1C(=O)C(=O)N1CCN(c2nc(C)cc(=O)[n-]2)CC1 ZINC001638488428 1282701349 /nfs/dbraw/zinc/70/13/49/1282701349.db2.gz JENSKLYZQQKLIE-UHFFFAOYSA-N -1 3 358.402 0.372 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N[C@]12CC(=O)N[C@H]1CCCC2 ZINC001638868655 1282728869 /nfs/dbraw/zinc/72/88/69/1282728869.db2.gz LFVCHQXJTSFMGV-BWACUDIHSA-N -1 3 360.418 0.261 10 0 FCAEHM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC001639799554 1282816171 /nfs/dbraw/zinc/81/61/71/1282816171.db2.gz SUJUARDPEOQXQO-HUUCEWRRSA-N -1 3 373.413 0.191 10 0 FCAEHM CC(C)C(=O)N1CCC(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)CC1 ZINC001640104299 1282837240 /nfs/dbraw/zinc/83/72/40/1282837240.db2.gz AYOFJRGVYVMQGL-AWEZNQCLSA-N -1 3 361.446 0.772 10 0 FCAEHM COc1cccc(C[C@@H](O)C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)c1 ZINC001640110567 1282838952 /nfs/dbraw/zinc/83/89/52/1282838952.db2.gz SHOVTKJGCWXOKN-UKRRQHHQSA-N -1 3 358.398 0.489 10 0 FCAEHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)[C@]1(C)C[C@@H](O)CN1C ZINC001640315575 1282853991 /nfs/dbraw/zinc/85/39/91/1282853991.db2.gz MAUYXINIGZBRLI-DRAKQNMHSA-N -1 3 350.419 0.322 10 0 FCAEHM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCC[C@@H](N2CCOCC2)CC1 ZINC001640508567 1282868567 /nfs/dbraw/zinc/86/85/67/1282868567.db2.gz MFTJVWZSAVLJKX-CYBMUJFWSA-N -1 3 353.423 0.183 10 0 FCAEHM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCC[C@H](N2CCOCC2)CC1 ZINC001640508568 1282868895 /nfs/dbraw/zinc/86/88/95/1282868895.db2.gz MFTJVWZSAVLJKX-ZDUSSCGKSA-N -1 3 353.423 0.183 10 0 FCAEHM COc1cccc([O-])c1C(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC001640528508 1282870927 /nfs/dbraw/zinc/87/09/27/1282870927.db2.gz SVWVHPDEHCJUCJ-NSHDSACASA-N -1 3 354.370 0.847 10 0 FCAEHM O=C(CCNS(=O)(=O)c1ccccc1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001640595356 1282881217 /nfs/dbraw/zinc/88/12/17/1282881217.db2.gz SSKXGJVYXUKPLP-LBPRGKRZSA-N -1 3 364.427 0.800 10 0 FCAEHM CC(C)NS(=O)(=O)c1ccc(C(=O)[N-]N2C(=O)[C@@H](C)N(C)C2=O)cc1 ZINC001640914879 1282913380 /nfs/dbraw/zinc/91/33/80/1282913380.db2.gz UULUOLCFPGDMOF-SNVBAGLBSA-N -1 3 368.415 0.301 10 0 FCAEHM Cn1cnnc1[C@H](CO)NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001640998979 1282917653 /nfs/dbraw/zinc/91/76/53/1282917653.db2.gz JAMMZFJBSBHRCP-NSHDSACASA-N -1 3 373.822 0.303 10 0 FCAEHM C[C@@H]1OCCO[C@@H]1C(=O)NCC1(CCNC(=O)c2cnc[n-]c2=O)CC1 ZINC001718995868 1287606601 /nfs/dbraw/zinc/60/66/01/1287606601.db2.gz UHHGTTXFRNMXDT-AAEUAGOBSA-N -1 3 364.402 0.002 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N[C@@H]1CCOC12CCOCC2 ZINC001641915500 1282981179 /nfs/dbraw/zinc/98/11/79/1282981179.db2.gz NQTQNQRFJFVOKW-GFCCVEGCSA-N -1 3 373.431 0.024 10 0 FCAEHM C[C@@H](CN(C)C(=O)c1cnc[n-]c1=O)NC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001680036845 1283392036 /nfs/dbraw/zinc/39/20/36/1283392036.db2.gz XQDMXOCBVCTDEH-QJPTWQEYSA-N -1 3 358.402 0.296 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@@H](CO)NC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001680361193 1283421982 /nfs/dbraw/zinc/42/19/82/1283421982.db2.gz VDULPOXCPZGHEC-RWMBFGLXSA-N -1 3 364.446 0.770 10 0 FCAEHM CN(C[C@@H](O)CNC(=O)c1ccccc1[O-])C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001680835417 1283452686 /nfs/dbraw/zinc/45/26/86/1283452686.db2.gz UEMLRESIRGHSJV-LXZKKBNFSA-N -1 3 362.426 0.756 10 0 FCAEHM CC(C)=CC(=O)N[C@@H]1CN(C(=O)c2nnc3ccccc3c2[O-])C[C@H]1O ZINC001682325906 1283567494 /nfs/dbraw/zinc/56/74/94/1283567494.db2.gz UASRHWMIKCVJBT-ZIAGYGMSSA-N -1 3 356.382 0.603 10 0 FCAEHM CCCC1(C(=O)N[C@@H]2CN(C(=O)c3c(C)nc[n-]c3=O)C[C@H]2O)CCC1 ZINC001682604309 1283712680 /nfs/dbraw/zinc/71/26/80/1283712680.db2.gz WNKLZOHTSASDFF-CHWSQXEVSA-N -1 3 362.430 0.763 10 0 FCAEHM CCN(C[C@H](O)C(F)(F)F)C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001683594143 1284053105 /nfs/dbraw/zinc/05/31/05/1284053105.db2.gz IDTASSSOSPFXFS-JTQLQIEISA-N -1 3 364.324 0.710 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC001684556213 1284199711 /nfs/dbraw/zinc/19/97/11/1284199711.db2.gz LUEGHYTVBXIMHJ-RNCFNFMXSA-N -1 3 361.324 0.470 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CC[C@H](Nc2ncccn2)C1 ZINC001684561295 1284201333 /nfs/dbraw/zinc/20/13/33/1284201333.db2.gz MNLZFNUYIYCPHW-QWHCGFSZSA-N -1 3 370.417 0.447 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC001684560421 1284201583 /nfs/dbraw/zinc/20/15/83/1284201583.db2.gz FMGQJVMPGFZRQN-UPJWGTAASA-N -1 3 360.418 0.071 10 0 FCAEHM COCCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC001719101035 1287729808 /nfs/dbraw/zinc/72/98/08/1287729808.db2.gz ZXDDMBKKVGLODA-ZIAGYGMSSA-N -1 3 361.402 0.076 10 0 FCAEHM COC1(CC(=O)N2C[C@H]3CCN(C(=O)c4cnc[n-]c4=O)C[C@H]32)CCC1 ZINC001702404520 1285642828 /nfs/dbraw/zinc/64/28/28/1285642828.db2.gz XILKBGZGKGPSSF-TZMCWYRMSA-N -1 3 360.414 0.814 10 0 FCAEHM CCO[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CNC(=O)CC(C)C ZINC001702572672 1285736670 /nfs/dbraw/zinc/73/66/70/1285736670.db2.gz LLOKBISSCYABAP-TZMCWYRMSA-N -1 3 350.419 0.822 10 0 FCAEHM CC(C)OCCC(=O)N1C[C@@H]2CN(C(=O)c3cnc[n-]c3=O)CC[C@@H]2C1 ZINC001702649544 1285770455 /nfs/dbraw/zinc/77/04/55/1285770455.db2.gz RGBITGPUOMFJSP-KGLIPLIRSA-N -1 3 362.430 0.918 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)CCCOC1CCOCC1 ZINC001702709923 1285808446 /nfs/dbraw/zinc/80/84/46/1285808446.db2.gz LXSWLMPDSVJTFK-OCCSQVGLSA-N -1 3 365.434 0.500 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1CC[C@H](NC(=O)CCc2cncnc2)[C@H]1C ZINC001702711848 1285809861 /nfs/dbraw/zinc/80/98/61/1285809861.db2.gz WZHQYQKEOSDWBA-OCCSQVGLSA-N -1 3 370.413 0.633 10 0 FCAEHM C[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O)n1cccn1 ZINC001702952041 1286018529 /nfs/dbraw/zinc/01/85/29/1286018529.db2.gz ZQBQAUOJEKNMMM-UXOAXIEHSA-N -1 3 370.413 0.892 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)NC[C@@H](NC(=O)c1c(C)nc[n-]c1=O)C1CC1 ZINC001703851197 1286154318 /nfs/dbraw/zinc/15/43/18/1286154318.db2.gz FKFDPMXLTFDKIP-MCIONIFRSA-N -1 3 362.430 0.930 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C1CC1 ZINC001703852762 1286154571 /nfs/dbraw/zinc/15/45/71/1286154571.db2.gz ODEVNPLSTXOXFD-UPJWGTAASA-N -1 3 370.413 0.642 10 0 FCAEHM CCn1cc(-c2nn(C)cc2C(=O)N2CCC(Cc3nnn[n-]3)CC2)cn1 ZINC001593921762 1286221166 /nfs/dbraw/zinc/22/11/66/1286221166.db2.gz VWNGAZDGCXIJJR-UHFFFAOYSA-N -1 3 369.433 0.912 10 0 FCAEHM CCn1cc(-c2nn(C)cc2C(=O)N2CCC(Cc3nn[n-]n3)CC2)cn1 ZINC001593921762 1286221176 /nfs/dbraw/zinc/22/11/76/1286221176.db2.gz VWNGAZDGCXIJJR-UHFFFAOYSA-N -1 3 369.433 0.912 10 0 FCAEHM CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)N2CCC(Cc3nnn[n-]3)CC2)C1 ZINC001593921046 1286221191 /nfs/dbraw/zinc/22/11/91/1286221191.db2.gz QNHILPFNNVABAX-GFCCVEGCSA-N -1 3 364.406 0.467 10 0 FCAEHM CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)N2CCC(Cc3nn[n-]n3)CC2)C1 ZINC001593921046 1286221195 /nfs/dbraw/zinc/22/11/95/1286221195.db2.gz QNHILPFNNVABAX-GFCCVEGCSA-N -1 3 364.406 0.467 10 0 FCAEHM Cc1cc(C(=O)NCCNC(=O)c2ccc([O-])cc2)c(C)n1NC(N)=O ZINC001595742425 1286261656 /nfs/dbraw/zinc/26/16/56/1286261656.db2.gz LRXUBROXTIRQFN-UHFFFAOYSA-N -1 3 359.386 0.593 10 0 FCAEHM C[C@@H](CNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)CNC(=O)[C@]12C[C@H]1COC2 ZINC001704777759 1286295994 /nfs/dbraw/zinc/29/59/94/1286295994.db2.gz CIDFGPWKKKBDLI-DKHZXNSXSA-N -1 3 371.393 0.089 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)NC[C@@H](C)NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC001705101440 1286348404 /nfs/dbraw/zinc/34/84/04/1286348404.db2.gz OYCJOTPNPQQVCX-ZXIHIIQKSA-N -1 3 364.446 0.778 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1NC(=O)COc1ccsc1 ZINC001719189621 1287849365 /nfs/dbraw/zinc/84/93/65/1287849365.db2.gz NMMVRFKJVFTTPJ-ZWNOBZJWSA-N -1 3 362.411 0.899 10 0 FCAEHM CO[C@@H](C)CCC(=O)N1C[C@H]2CCN(C(=O)c3c(C)nc[n-]c3=O)C[C@H]21 ZINC001719324105 1288093030 /nfs/dbraw/zinc/09/30/30/1288093030.db2.gz LVUXFIYXBXASCS-IACUBPJLSA-N -1 3 362.430 0.979 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@H]1CC[C@@H](NC(=O)COCC2CC2)C1 ZINC001719467237 1288131460 /nfs/dbraw/zinc/13/14/60/1288131460.db2.gz KDCSRSQJYZASID-UONOGXRCSA-N -1 3 362.430 0.932 10 0 FCAEHM CCOCC(=O)N1C[C@@H](CNC(=O)c2c(C)nc[n-]c2=O)[C@H](OCC)C1 ZINC001719484384 1288139521 /nfs/dbraw/zinc/13/95/21/1288139521.db2.gz OQHCGJKRPWHMEA-CHWSQXEVSA-N -1 3 366.418 0.120 10 0 FCAEHM CC[C@@H](C)CC(=O)NCc1nc(CNC(=O)[C@]23C[C@H]2COC3)cc(=O)[n-]1 ZINC001719522581 1288166296 /nfs/dbraw/zinc/16/62/96/1288166296.db2.gz QLOHPKNGUZRVIG-SOZUMNATSA-N -1 3 362.430 0.887 10 0 FCAEHM C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1CCN(C(=O)c2ccccc2[O-])[C@@H]1C ZINC001719621284 1288192123 /nfs/dbraw/zinc/19/21/23/1288192123.db2.gz PVDNJCHWTQSXCP-SCRDCRAPSA-N -1 3 368.455 0.792 10 0 FCAEHM O=C(NC[C@H](O)CNCc1cc(=O)n2[n-]ccc2n1)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001732643820 1288587828 /nfs/dbraw/zinc/58/78/28/1288587828.db2.gz GEXDZZFXKZYUTD-OCVGTWLNSA-N -1 3 371.441 0.192 10 0 FCAEHM CCCC[C@H](CNCc1nc(=O)n(C)[n-]1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001734097305 1288643294 /nfs/dbraw/zinc/64/32/94/1288643294.db2.gz NTSLMSOXMALHPL-SYQHCUMBSA-N -1 3 351.451 0.441 10 0 FCAEHM CCCC[C@@H](CNCc1nc(=O)n(C)[n-]1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001734097302 1288643335 /nfs/dbraw/zinc/64/33/35/1288643335.db2.gz NTSLMSOXMALHPL-DGAVXFQQSA-N -1 3 351.451 0.441 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](c3n[nH]cc3N)C2)ccc1F ZINC001607302430 1288696847 /nfs/dbraw/zinc/69/68/47/1288696847.db2.gz XIYLGLGGCZEBKT-SNVBAGLBSA-N -1 3 367.406 0.669 10 0 FCAEHM CCCCOCC(=O)N1CC[C@H]2CN(C(=O)c3c(C)nc[n-]c3=O)C[C@H]21 ZINC001735698121 1288771804 /nfs/dbraw/zinc/77/18/04/1288771804.db2.gz ZDDSPHYNQUOQHT-UONOGXRCSA-N -1 3 362.430 0.980 10 0 FCAEHM CCC[C@@H](C(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1O)C(C)C ZINC001735786475 1288911066 /nfs/dbraw/zinc/91/10/66/1288911066.db2.gz NQEJYCCOIBOEJK-MGPQQGTHSA-N -1 3 364.446 0.864 10 0 FCAEHM COCCC(C)(C)C(=O)N[C@H]1CCN(C(=O)c2cnc[n-]c2=O)[C@@H]1C ZINC001736292480 1289248523 /nfs/dbraw/zinc/24/85/23/1289248523.db2.gz BWRCWHKFCQGHOF-YPMHNXCESA-N -1 3 350.419 0.964 10 0 FCAEHM CO[C@H](C(=O)NCC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C)C1CC1 ZINC001736403557 1289316375 /nfs/dbraw/zinc/31/63/75/1289316375.db2.gz JBDYRMPOCBDPMX-KYOSRNDESA-N -1 3 362.430 0.822 10 0 FCAEHM O=C(CNC(=O)c1ccccc1Cl)Nc1n[n-]c(SCCO)n1 ZINC001611010599 1289624240 /nfs/dbraw/zinc/62/42/40/1289624240.db2.gz AKKYBWSXNYSJLS-UHFFFAOYSA-N -1 3 355.807 0.911 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)C2CCC(C(=O)N(C)C)CC2)[n-]1 ZINC001611154050 1289632118 /nfs/dbraw/zinc/63/21/18/1289632118.db2.gz CLOSIGLWFVIKFD-UHFFFAOYSA-N -1 3 351.407 0.492 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)C2CCC(NC(=O)C3CC3)CC2)[n-]1 ZINC001611154903 1289633990 /nfs/dbraw/zinc/63/39/90/1289633990.db2.gz TYKSGFGFUBFEGS-UHFFFAOYSA-N -1 3 363.418 0.683 10 0 FCAEHM O=C(c1ccc(-c2nc(=O)o[n-]2)cc1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001611685677 1289666743 /nfs/dbraw/zinc/66/67/43/1289666743.db2.gz LZQGTBGPNJUPPN-GJZGRUSLSA-N -1 3 358.398 0.701 10 0 FCAEHM COC(=O)c1cc(C2CN(C(=O)CNC(=O)c3ccc([O-])cc3)C2)[nH]n1 ZINC001611693535 1289666762 /nfs/dbraw/zinc/66/67/62/1289666762.db2.gz ZVQCREYDSLFOCE-UHFFFAOYSA-N -1 3 358.354 0.258 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(CN2CCN(C)CC2)s1 ZINC001615962683 1289766007 /nfs/dbraw/zinc/76/60/07/1289766007.db2.gz HGTYIQKLFGHKNM-CQSZACIVSA-N -1 3 363.487 0.737 10 0 FCAEHM C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1O ZINC001702183063 1289799894 /nfs/dbraw/zinc/79/98/94/1289799894.db2.gz BCKHYIYYUGPYFK-APHBMKBZSA-N -1 3 370.409 0.363 10 0 FCAEHM CC[C@H](F)C(=O)N[C@@H]1CN(C(=O)c2nnc3ccccc3c2[O-])C[C@H]1O ZINC001702201985 1289857268 /nfs/dbraw/zinc/85/72/68/1289857268.db2.gz HOHGBQOBECZCKT-CYZMBNFOSA-N -1 3 362.361 0.385 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)[C@]2(C(=O)OC)C[C@H]2c2ccccc2)n[n-]1 ZINC001618402902 1289902781 /nfs/dbraw/zinc/90/27/81/1289902781.db2.gz DFBWOZGXSIFGAM-GTNSWQLSSA-N -1 3 358.354 0.806 10 0 FCAEHM COCC1(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3cccc4n[n-]nc43)C2)CC1 ZINC001702252271 1289912949 /nfs/dbraw/zinc/91/29/49/1289912949.db2.gz OPNOWRDNBMAROB-BXUZGUMPSA-N -1 3 357.414 0.961 10 0 FCAEHM CCOCCO[C@@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001739398602 1289915746 /nfs/dbraw/zinc/91/57/46/1289915746.db2.gz YSRDSFKHCDGPJE-JGGQBBKZSA-N -1 3 366.414 0.135 10 0 FCAEHM CC(C)OCCCC(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001702262263 1289925543 /nfs/dbraw/zinc/92/55/43/1289925543.db2.gz XOZFWOIBZQLFBP-TZMCWYRMSA-N -1 3 350.419 0.964 10 0 FCAEHM CCC1(C(=O)N[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@H]2C)CCOCC1 ZINC001702282814 1289958942 /nfs/dbraw/zinc/95/89/42/1289958942.db2.gz VKJADZLCTAAFJA-TZMCWYRMSA-N -1 3 362.430 0.966 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CN(C(=O)C[C@@H](C)C(C)(C)C)C[C@H]1O ZINC001739455712 1290029018 /nfs/dbraw/zinc/02/90/18/1290029018.db2.gz PDAMEALAELNWNP-RAIGVLPGSA-N -1 3 364.446 0.864 10 0 FCAEHM CCC[C@@H](CC(C)C)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@@H]1O ZINC001702363854 1290136524 /nfs/dbraw/zinc/13/65/24/1290136524.db2.gz WOFCFOLFBOFUGG-CFVMTHIKSA-N -1 3 364.446 0.946 10 0 FCAEHM CCCC[C@@H](C(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1)C(C)C ZINC001702365187 1290138522 /nfs/dbraw/zinc/13/85/22/1290138522.db2.gz JDIKKFDPVWPTAS-YUELXQCFSA-N -1 3 364.446 0.946 10 0 FCAEHM CCCCCC(=O)N1C[C@@H](NC(=O)Cc2c(C)nc(C)[n-]c2=O)[C@@H](O)C1 ZINC001739631301 1290268009 /nfs/dbraw/zinc/26/80/09/1290268009.db2.gz YHGJJWBWAVWWOR-CABCVRRESA-N -1 3 364.446 0.610 10 0 FCAEHM CO[C@@]1(CNC(=O)c2c[n-]c3ccccc3c2=O)CCS(=O)(=O)C1 ZINC001626280651 1290385489 /nfs/dbraw/zinc/38/54/89/1290385489.db2.gz YOFBZOKYDCDLAL-MRXNPFEDSA-N -1 3 350.396 0.462 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC001627147988 1290440536 /nfs/dbraw/zinc/44/05/36/1290440536.db2.gz WORLYRHOZDYRTF-AWEZNQCLSA-N -1 3 355.398 0.793 10 0 FCAEHM CCOC(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1c(C)[n-][nH]c1=O ZINC001627153550 1290442123 /nfs/dbraw/zinc/44/21/23/1290442123.db2.gz UQUBBJOGINLNBN-LSDHHAIUSA-N -1 3 360.414 0.972 10 0 FCAEHM O=C([C@@H]1Nc2ccccc2S(=O)(=O)N1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001628247592 1290519285 /nfs/dbraw/zinc/51/92/85/1290519285.db2.gz ZMDGIJMHISAXJZ-YMTOWFKASA-N -1 3 363.399 0.161 10 0 FCAEHM CON(C)S(=O)(=O)c1cccc(C(=O)NCc2nc(C)cc(=O)[n-]2)c1 ZINC001628266694 1290522073 /nfs/dbraw/zinc/52/20/73/1290522073.db2.gz PPSRKAOXMDSXTE-UHFFFAOYSA-N -1 3 366.399 0.603 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccccc1S(=O)(=O)C(F)F ZINC001628274598 1290522774 /nfs/dbraw/zinc/52/27/74/1290522774.db2.gz MTHJVWRREDGIIS-VIFPVBQESA-N -1 3 359.354 0.925 10 0 FCAEHM COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1c(C)[n-][nH]c1=O ZINC001628274806 1290523279 /nfs/dbraw/zinc/52/32/79/1290523279.db2.gz QRFBTBCRBSCHSE-MNOVXSKESA-N -1 3 370.406 0.071 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)Cn2ncc(Br)c2C)n[n-]1 ZINC001628596020 1290542916 /nfs/dbraw/zinc/54/29/16/1290542916.db2.gz NUKGNVKPRIVFCR-UHFFFAOYSA-N -1 3 357.168 0.426 10 0 FCAEHM CCOC(=O)c1nc([C@@H](C)NC(=O)C=C(C)CN2CCOCC2)n[n-]1 ZINC001629029364 1290570719 /nfs/dbraw/zinc/57/07/19/1290570719.db2.gz KHBCIAAKHHCZHQ-UCQJPZFISA-N -1 3 351.407 0.437 10 0 FCAEHM CCOC(=O)c1nnc([C@@H](C)NC(=O)C=C(C)CN2CCOCC2)[n-]1 ZINC001629029364 1290570722 /nfs/dbraw/zinc/57/07/22/1290570722.db2.gz KHBCIAAKHHCZHQ-UCQJPZFISA-N -1 3 351.407 0.437 10 0 FCAEHM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)/C=C(/C)CN2CCOCC2)n1 ZINC001629029364 1290570727 /nfs/dbraw/zinc/57/07/27/1290570727.db2.gz KHBCIAAKHHCZHQ-UCQJPZFISA-N -1 3 351.407 0.437 10 0 FCAEHM CNC(=O)COc1ccc(C(=O)NCCCc2c[n-][nH]c2=O)cc1OC ZINC001630630676 1290682922 /nfs/dbraw/zinc/68/29/22/1290682922.db2.gz ABJQGOOMVJIWPW-LBPRGKRZSA-N -1 3 362.386 0.062 10 0 FCAEHM CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCc1c[n-][nH]c1=O ZINC001630631079 1290682971 /nfs/dbraw/zinc/68/29/71/1290682971.db2.gz FCHSSNQFRGDSFZ-DYVFJYSZSA-N -1 3 369.425 0.843 10 0 FCAEHM CCn1c(=O)[nH]c2cc(C(=O)NCCCc3c[n-][nH]c3=O)ccc2c1=O ZINC001630632886 1290684799 /nfs/dbraw/zinc/68/47/99/1290684799.db2.gz YYLPTHSNFVOQFN-LLVKDONJSA-N -1 3 357.370 0.364 10 0 FCAEHM O=S1(=O)CCN(Cc2nnc(-c3ccccc3[O-])o2)[C@@H]2CCOC[C@@H]21 ZINC001643365090 1290879001 /nfs/dbraw/zinc/87/90/01/1290879001.db2.gz VATWGEAZZLWYQN-OCCSQVGLSA-N -1 3 365.411 0.830 10 0 FCAEHM O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001644261243 1290950816 /nfs/dbraw/zinc/95/08/16/1290950816.db2.gz PSFKCHNKJBUVCD-YNEHKIRRSA-N -1 3 360.414 0.997 10 0 FCAEHM C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001645199467 1291008906 /nfs/dbraw/zinc/00/89/06/1291008906.db2.gz MJZAKPAYCLXNDY-RNCFNFMXSA-N -1 3 366.418 0.950 10 0 FCAEHM COC(=O)c1ccc(C(=O)N2CCN(c3nc(C)cc(=O)[n-]3)CC2)n1C ZINC001645591244 1291037671 /nfs/dbraw/zinc/03/76/71/1291037671.db2.gz GERKGLJKSLDHSB-UHFFFAOYSA-N -1 3 359.386 0.578 10 0 FCAEHM Cc1noc(COc2ccc(C(=O)[N-]N3C(=O)[C@@H](C)N(C)C3=O)cn2)n1 ZINC001645981464 1291052334 /nfs/dbraw/zinc/05/23/34/1291052334.db2.gz BHKZCIYTUHFOIB-MRVPVSSYSA-N -1 3 360.330 0.279 10 0 FCAEHM COC(=O)C1(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)CC(CO)C1 ZINC001647999301 1291092618 /nfs/dbraw/zinc/09/26/18/1291092618.db2.gz IHRNVEVGQZUMBM-UHFFFAOYSA-N -1 3 366.320 0.850 10 0 FCAEHM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC001650748352 1291178223 /nfs/dbraw/zinc/17/82/23/1291178223.db2.gz IHSFOTOVJMZZHD-APPZFPTMSA-N -1 3 374.319 0.186 10 0 FCAEHM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCc1n[nH]c([C@H]2CCOC2)n1 ZINC001651148370 1291198943 /nfs/dbraw/zinc/19/89/43/1291198943.db2.gz RONBPMONOBQMJT-WPRPVWTQSA-N -1 3 363.340 0.628 10 0 FCAEHM C[C@]1([C@H]2CCCN(C(=O)c3ccc4c(c3)C(=O)[N-]C4=O)C2)COC(=O)N1 ZINC001651231870 1291208586 /nfs/dbraw/zinc/20/85/86/1291208586.db2.gz FDNJHDLDOHACPL-BBATYDOGSA-N -1 3 357.366 0.921 10 0 FCAEHM CCc1nc([C@@H]2C[C@@H](O)CN2C(=O)CSc2n[n-]c(=S)s2)n[nH]1 ZINC001653817119 1291371256 /nfs/dbraw/zinc/37/12/56/1291371256.db2.gz GZRUKUSGUOYBDY-RQJHMYQMSA-N -1 3 372.501 0.934 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)c2c(Br)cnn2CC)[n-]1 ZINC001654490539 1291413879 /nfs/dbraw/zinc/41/38/79/1291413879.db2.gz XENQEWULTCWSJU-UHFFFAOYSA-N -1 3 371.195 0.890 10 0 FCAEHM CS(=O)(=O)NC[C@@H]1CCN(Cc2nnc(-c3ccccc3[O-])o2)C1 ZINC001654721251 1291429666 /nfs/dbraw/zinc/42/96/66/1291429666.db2.gz BDBBXJGQFDBCSR-NSHDSACASA-N -1 3 352.416 0.813 10 0 FCAEHM O=C(CNC(=O)c1ccc([O-])cc1)N1CC[C@H]2CS(=O)(=O)C[C@H]2C1 ZINC001654800703 1291436372 /nfs/dbraw/zinc/43/63/72/1291436372.db2.gz PUDGWEFAUHNFRM-QWHCGFSZSA-N -1 3 352.412 0.015 10 0 FCAEHM CCO[C@H](C(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]2C1)C1CC1 ZINC001656810795 1291564533 /nfs/dbraw/zinc/56/45/33/1291564533.db2.gz XVVZQJDOCFGRJK-YCPHGPKFSA-N -1 3 363.462 0.204 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)c2cnns2)CCN1CCC[N-]C(=O)C(F)(F)F ZINC001656924977 1291572008 /nfs/dbraw/zinc/57/20/08/1291572008.db2.gz WKVBTCKZPUZKAS-BDAKNGLRSA-N -1 3 365.381 0.799 10 0 FCAEHM CCn1ncc(CNC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)n1 ZINC001674688545 1292151192 /nfs/dbraw/zinc/15/11/92/1292151192.db2.gz FPKOSQCJXAISIR-UHFFFAOYSA-N -1 3 358.402 0.671 10 0 FCAEHM CCOC(=O)[C@H](F)C1CN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC001675456439 1292177389 /nfs/dbraw/zinc/17/73/89/1292177389.db2.gz GVZNJSZCJRCXDF-CYBMUJFWSA-N -1 3 368.365 0.298 10 0 FCAEHM CSCc1nc(CNC(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)n[nH]1 ZINC001676130576 1292194038 /nfs/dbraw/zinc/19/40/38/1292194038.db2.gz MHDWKYVNXXTPCH-UHFFFAOYSA-N -1 3 366.369 0.488 10 0 FCAEHM CSCc1n[nH]c(CNC(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)n1 ZINC001676130576 1292194041 /nfs/dbraw/zinc/19/40/41/1292194041.db2.gz MHDWKYVNXXTPCH-UHFFFAOYSA-N -1 3 366.369 0.488 10 0 FCAEHM O=C(NC[C@@H](CO)NCc1cc(=O)[n-]c(C2CC2)n1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001676555041 1292207629 /nfs/dbraw/zinc/20/76/29/1292207629.db2.gz ORXJGBRXNPHBQT-UZVBGSJOSA-N -1 3 374.441 0.050 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)CCOC)CCN1C(=O)Cc1c(C)nc(C)[n-]c1=O ZINC001684859416 1292344783 /nfs/dbraw/zinc/34/47/83/1292344783.db2.gz MGTOJRHFHTXMFV-LSDHHAIUSA-N -1 3 364.446 0.874 10 0 FCAEHM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1CCC(n2ccnc2)CC1 ZINC001684869093 1292346326 /nfs/dbraw/zinc/34/63/26/1292346326.db2.gz LKSBOZMIPBWLJY-UHFFFAOYSA-N -1 3 358.402 0.998 10 0 FCAEHM CCOCC(=O)N1CC[C@H](NC(=O)CCc2c(C)nc[n-]c2=O)[C@H]1CC ZINC001684953936 1292381243 /nfs/dbraw/zinc/38/12/43/1292381243.db2.gz QDJRQPVDWYBHFV-LSDHHAIUSA-N -1 3 364.446 0.955 10 0 FCAEHM COCCC(=O)N[C@H]1CCN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)[C@@H]1C ZINC001685155099 1292435756 /nfs/dbraw/zinc/43/57/56/1292435756.db2.gz UUKXJSHWORZKHW-YGRLFVJLSA-N -1 3 359.382 0.326 10 0 FCAEHM COCC(=O)N[C@@H](C)C(=O)N1CC[C@H](NC(=O)c2ccccc2[O-])[C@H]1C ZINC001685167318 1292439703 /nfs/dbraw/zinc/43/97/03/1292439703.db2.gz SJXYOASHQQJBMN-SCRDCRAPSA-N -1 3 363.414 0.263 10 0 FCAEHM O=C(NC[C@@H](O)c1ccccc1F)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001685575321 1292562629 /nfs/dbraw/zinc/56/26/29/1292562629.db2.gz VCPYZWKKAWXDSH-BXUZGUMPSA-N -1 3 361.377 0.933 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC001685645763 1292582205 /nfs/dbraw/zinc/58/22/05/1292582205.db2.gz YTNSBQAMJWKSAV-UPJWGTAASA-N -1 3 360.418 0.214 10 0 FCAEHM COCC(C)(C)C(=O)NC[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1C ZINC001685714924 1292605989 /nfs/dbraw/zinc/60/59/89/1292605989.db2.gz KBGHHDSFGUMBTE-DGCLKSJQSA-N -1 3 364.446 0.988 10 0 FCAEHM Cn1nccc1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O ZINC001686176075 1292799582 /nfs/dbraw/zinc/79/95/82/1292799582.db2.gz IIKLAIRCHUXYRL-YUELXQCFSA-N -1 3 370.413 0.410 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CC[C@H](Cn2ccnn2)C1 ZINC001687789866 1293014348 /nfs/dbraw/zinc/01/43/48/1293014348.db2.gz NENCYFRPNMYKCF-STQMWFEESA-N -1 3 358.406 0.084 10 0 FCAEHM O=S(=O)(CCCS(=O)(=O)N1CCC12CCCC2)[N-]c1ccnnc1 ZINC000349505197 836041913 /nfs/dbraw/zinc/04/19/13/836041913.db2.gz RPXRBQDEWWFTEL-UHFFFAOYSA-N -1 3 374.488 0.957 10 0 FCAEHM O=C([O-])CN1CCCN(C(=O)[C@@H]2CSCN2C(=O)C2CCCC2)CC1 ZINC000738612869 836106417 /nfs/dbraw/zinc/10/64/17/836106417.db2.gz UACONTLQDCHEIX-AWEZNQCLSA-N -1 3 369.487 0.697 10 0 FCAEHM COC(=O)[C@@H]1CCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C1 ZINC000746893291 836202001 /nfs/dbraw/zinc/20/20/01/836202001.db2.gz AGFOLRBVQQVCOI-LLVKDONJSA-N -1 3 370.402 0.902 10 0 FCAEHM O=C(NCc1nc(C(F)(F)F)n[n-]1)C(=O)N1CCC[C@](O)(C2CC2)C1 ZINC001118649959 847516401 /nfs/dbraw/zinc/51/64/01/847516401.db2.gz RZHBVQAGUZROLZ-CYBMUJFWSA-N -1 3 361.324 0.203 10 0 FCAEHM CO[C@@H](C(=O)[O-])C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC001119602493 847907495 /nfs/dbraw/zinc/90/74/95/847907495.db2.gz OXRZQDPAWUYQIJ-OAHLLOKOSA-N -1 3 354.378 0.885 10 0 FCAEHM O=C(c1c[n-]c2cc(F)c(F)cc2c1=O)N1CCS(=O)(=O)CCO1 ZINC001124025737 848669906 /nfs/dbraw/zinc/66/99/06/848669906.db2.gz PIWFKDHPEOKSHO-UHFFFAOYSA-N -1 3 358.322 0.609 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc2nccc(C(F)(F)F)n2n1 ZINC001144232895 849513881 /nfs/dbraw/zinc/51/38/81/849513881.db2.gz NLCFYPSVGZNQPI-QMMMGPOBSA-N -1 3 354.292 0.990 10 0 FCAEHM C[C@@H](O)[C@H](NC(=O)C1CCCC1)C(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001144527275 849525230 /nfs/dbraw/zinc/52/52/30/849525230.db2.gz DKHTWESWMOUAPC-PELKAZGASA-N -1 3 354.432 0.143 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)c1ccncc1NC(=O)C(F)(F)F ZINC001149262166 849634609 /nfs/dbraw/zinc/63/46/09/849634609.db2.gz JKOIMPHSYSNGAE-QMMMGPOBSA-N -1 3 357.292 0.824 10 0 FCAEHM CCOC(Cn1cc(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)cn1)OCC ZINC001164349089 850409207 /nfs/dbraw/zinc/40/92/07/850409207.db2.gz ZCFTYSFUXWOWRB-UHFFFAOYSA-N -1 3 367.431 0.997 10 0 FCAEHM Cc1nc(CS(C)(=O)=O)sc1CC(=O)NCc1nc(C)cc(=O)[n-]1 ZINC001164370206 850410155 /nfs/dbraw/zinc/41/01/55/850410155.db2.gz VYQXOEUEYMJAKE-UHFFFAOYSA-N -1 3 370.456 0.659 10 0 FCAEHM CN(C)S(=O)(=O)c1ccc(CC(=O)NCCCc2c[n-][nH]c2=O)cc1 ZINC001168401891 850585145 /nfs/dbraw/zinc/58/51/45/850585145.db2.gz BRJWPHYOMWLSRY-CYBMUJFWSA-N -1 3 366.443 0.108 10 0 FCAEHM CN(C)S(=O)(=O)c1cc(C(=O)NCCCc2c[n-][nH]c2=O)ccc1F ZINC001168404490 850585197 /nfs/dbraw/zinc/58/51/97/850585197.db2.gz MYJGCTVHQOAGMX-LLVKDONJSA-N -1 3 370.406 0.318 10 0 FCAEHM C[C@H](Sc1nc(CC(=O)NCCCc2c[n-][nH]c2=O)cs1)C(N)=O ZINC001168402481 850585351 /nfs/dbraw/zinc/58/53/51/850585351.db2.gz CTOPPXBBVDBSHW-IUCAKERBSA-N -1 3 369.472 0.280 10 0 FCAEHM Cn1ncc(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)c1Br ZINC001175213872 850756548 /nfs/dbraw/zinc/75/65/48/850756548.db2.gz JBKFMRGWPSKETP-UHFFFAOYSA-N -1 3 368.191 0.681 10 0 FCAEHM CC1=NS(=O)(=O)N(C)C=C1C(=O)Nc1cc(C(=O)OC(C)C)n[n-]1 ZINC001179082082 850953744 /nfs/dbraw/zinc/95/37/44/850953744.db2.gz IXOHDNMBGVTJIJ-UHFFFAOYSA-N -1 3 355.376 0.448 10 0 FCAEHM CC1=NS(=O)(=O)N(C)C=C1C(=O)Nc1cc(C(=O)OC(C)C)[n-]n1 ZINC001179082082 850953749 /nfs/dbraw/zinc/95/37/49/850953749.db2.gz IXOHDNMBGVTJIJ-UHFFFAOYSA-N -1 3 355.376 0.448 10 0 FCAEHM COC(=O)CCCO[N-]C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC001179176962 850960149 /nfs/dbraw/zinc/96/01/49/850960149.db2.gz NVKGBEUGNNOCRC-MJVIPROJSA-N -1 3 359.448 0.713 10 0 FCAEHM COC(=O)c1cc(NC(=O)C[C@@]2(C)CCS(=O)(=O)N2)c([O-])c(OC)c1 ZINC001179886770 851003472 /nfs/dbraw/zinc/00/34/72/851003472.db2.gz VSOKQMXZISTFKH-OAHLLOKOSA-N -1 3 372.399 0.598 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)Cn2ncc(Br)c2C)[n-]1 ZINC001183194460 851230970 /nfs/dbraw/zinc/23/09/70/851230970.db2.gz YWJQBMHKUXDHCQ-UHFFFAOYSA-N -1 3 371.195 0.565 10 0 FCAEHM O=C(CN1CC[C@@H](c2nnn[n-]2)C1)NCCOc1cccc(Cl)c1 ZINC001197294641 853095281 /nfs/dbraw/zinc/09/52/81/853095281.db2.gz BORWPWWLBODVPZ-LLVKDONJSA-N -1 3 350.810 0.838 10 0 FCAEHM O=C(CN1CC[C@@H](c2nn[n-]n2)C1)NCCOc1cccc(Cl)c1 ZINC001197294641 853095289 /nfs/dbraw/zinc/09/52/89/853095289.db2.gz BORWPWWLBODVPZ-LLVKDONJSA-N -1 3 350.810 0.838 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)N[C@H](CNCc1nc(=O)n(C)[n-]1)C(C)(C)C ZINC001278973345 862590901 /nfs/dbraw/zinc/59/09/01/862590901.db2.gz SDFBDLDUAQJFPL-BZPMIXESSA-N -1 3 353.467 0.544 10 0 FCAEHM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N1CCO[C@@H](C(F)F)CC1 ZINC001254496852 857974633 /nfs/dbraw/zinc/97/46/33/857974633.db2.gz NAUVWWQSGVISCS-LLVKDONJSA-N -1 3 358.345 0.821 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)C[C@@H]3C=CS(=O)(=O)C3)cc2n(C)c1=O ZINC001261212236 858497742 /nfs/dbraw/zinc/49/77/42/858497742.db2.gz VWSURLOKEQMBQZ-VIFPVBQESA-N -1 3 351.384 0.470 10 0 FCAEHM O=C([N-]C[C@H]1CCCN(C(=O)NCC[C@H]2CNC(=O)C2)C1)C(F)(F)F ZINC001262206415 858818128 /nfs/dbraw/zinc/81/81/28/858818128.db2.gz BAATXJYCCFRDOW-GHMZBOCLSA-N -1 3 364.368 0.613 10 0 FCAEHM CCCN(C(=O)NC[C@@H]1CCN1C1CCOCC1)[C@H](COC)C(=O)[O-] ZINC001262210234 858820028 /nfs/dbraw/zinc/82/00/28/858820028.db2.gz QQJHLQFZHUYMSO-LSDHHAIUSA-N -1 3 357.451 0.761 10 0 FCAEHM CCO[C@@H]1CN(C(=O)CCCF)C[C@H]1CNC(=O)c1cnc[n-]c1=O ZINC001282182983 864107627 /nfs/dbraw/zinc/10/76/27/864107627.db2.gz LWYLOZGFHUBBPK-DGCLKSJQSA-N -1 3 354.382 0.525 10 0 FCAEHM CS[C@H](C)C(=O)NCc1nc(CNC(=O)[C@]23C[C@H]2COC3)cc(=O)[n-]1 ZINC001282229064 864130219 /nfs/dbraw/zinc/13/02/19/864130219.db2.gz NDDNBHFTWJFLSG-LSYCYVAJSA-N -1 3 366.443 0.203 10 0 FCAEHM CO[C@@H]1CN(C(=O)C[C@H](C)C(C)C)C[C@H]1NC(=O)c1cnc[n-]c1=O ZINC001289500532 865102168 /nfs/dbraw/zinc/10/21/68/865102168.db2.gz CPDQHPGEGMETHS-IACUBPJLSA-N -1 3 350.419 0.820 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](NC(=O)CCCC(C)C)[C@@H](O)C1 ZINC001289751448 865266872 /nfs/dbraw/zinc/26/68/72/865266872.db2.gz IUIQMVAZJGAWHO-OLZOCXBDSA-N -1 3 350.419 0.618 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)C[C@H](OC)C(F)(F)F ZINC001290443721 865418480 /nfs/dbraw/zinc/41/84/80/865418480.db2.gz HMKCOKGMSYKLQC-GDPRMGEGSA-N -1 3 363.340 0.881 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)CCS(C)(=O)=O)CCN1C(=O)c1ccccc1[O-] ZINC001290665558 865484476 /nfs/dbraw/zinc/48/44/76/865484476.db2.gz XLAWGYWIEOBJRV-YPMHNXCESA-N -1 3 354.428 0.546 10 0 FCAEHM CCC[C@@H](OC)C(=O)N1C[C@@H](CNC(=O)c2cnc[n-]c2=O)[C@H](C)C1 ZINC001290934671 865562627 /nfs/dbraw/zinc/56/26/27/865562627.db2.gz NXGWRWFCYXPINU-YRGRVCCFSA-N -1 3 350.419 0.822 10 0 FCAEHM COc1nnc(NC(=O)c2ccc(-n3cc(Br)cn3)nn2)[n-]1 ZINC001295099095 865876392 /nfs/dbraw/zinc/87/63/92/865876392.db2.gz RLFDNRHUMIMTTM-UHFFFAOYSA-N -1 3 365.151 0.804 10 0 FCAEHM COc1nc(NC(=O)c2ccc(-n3cc(Br)cn3)nn2)n[n-]1 ZINC001295099095 865876402 /nfs/dbraw/zinc/87/64/02/865876402.db2.gz RLFDNRHUMIMTTM-UHFFFAOYSA-N -1 3 365.151 0.804 10 0 FCAEHM COc1n[n-]c(NC(=O)c2ccc(-n3cc(Br)cn3)nn2)n1 ZINC001295099095 865876415 /nfs/dbraw/zinc/87/64/15/865876415.db2.gz RLFDNRHUMIMTTM-UHFFFAOYSA-N -1 3 365.151 0.804 10 0 FCAEHM Nc1ccnn1CC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001295353740 865893355 /nfs/dbraw/zinc/89/33/55/865893355.db2.gz WFTCLDZQEHZRFW-UHFFFAOYSA-N -1 3 363.852 0.275 10 0 FCAEHM CNC(=O)N[C@@H]1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)C1 ZINC001296170169 865946021 /nfs/dbraw/zinc/94/60/21/865946021.db2.gz MDZZCIZSUGTXOJ-SNVBAGLBSA-N -1 3 374.850 0.855 10 0 FCAEHM Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC001298792697 866132495 /nfs/dbraw/zinc/13/24/95/866132495.db2.gz XXIPAOBCCQDXTP-UHFFFAOYSA-N -1 3 366.443 0.631 10 0 FCAEHM CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001300198236 866215796 /nfs/dbraw/zinc/21/57/96/866215796.db2.gz WUKKITUUGTXBLV-NSHDSACASA-N -1 3 374.488 0.681 10 0 FCAEHM O=S(=O)([N-][C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1)c1cscn1 ZINC001349082558 866229088 /nfs/dbraw/zinc/22/90/88/866229088.db2.gz XONCOBWHEJUKIX-MWLCHTKSSA-N -1 3 352.459 0.158 10 0 FCAEHM CS(=O)(=O)c1ccc(OCCC(=O)NCCCc2c[n-][nH]c2=O)cc1 ZINC001301561147 866271158 /nfs/dbraw/zinc/27/11/58/866271158.db2.gz HSDVRZVSOUFZSB-GFCCVEGCSA-N -1 3 367.427 0.487 10 0 FCAEHM O=C(c1c[n-]c2cc(F)c(F)cc2c1=O)N1C[C@H](CO)[C@@H](CCO)C1 ZINC001349757769 866433254 /nfs/dbraw/zinc/43/32/54/866433254.db2.gz PPTUBBHXFACQLU-VHSXEESVSA-N -1 3 352.337 0.869 10 0 FCAEHM O=C(c1c[n-]c2cc(F)c(F)cc2c1=O)N1C[C@H](CO)[C@H](CCO)C1 ZINC001349757758 866433273 /nfs/dbraw/zinc/43/32/73/866433273.db2.gz PPTUBBHXFACQLU-NXEZZACHSA-N -1 3 352.337 0.869 10 0 FCAEHM O=C([C@@H]1CCCN1C(=O)C(F)(F)F)N1CCC(Cc2nnn[n-]2)CC1 ZINC001350336857 866569055 /nfs/dbraw/zinc/56/90/55/866569055.db2.gz MSCBUEFDQBOJBX-JTQLQIEISA-N -1 3 360.340 0.534 10 0 FCAEHM O=C([C@@H]1CCCN1C(=O)C(F)(F)F)N1CCC(Cc2nn[n-]n2)CC1 ZINC001350336857 866569076 /nfs/dbraw/zinc/56/90/76/866569076.db2.gz MSCBUEFDQBOJBX-JTQLQIEISA-N -1 3 360.340 0.534 10 0 FCAEHM COC(=O)[C@@]1(N2CCN([C@H](C)c3nc(C)cc(=O)[n-]3)CC2)CCOC1 ZINC001351421298 866855433 /nfs/dbraw/zinc/85/54/33/866855433.db2.gz HHOJKVWBLGDREW-CXAGYDPISA-N -1 3 350.419 0.501 10 0 FCAEHM COCCOc1ccc(S(=O)(=O)NC2CCN(CC(=O)[O-])CC2)cc1 ZINC001320742234 868259250 /nfs/dbraw/zinc/25/92/50/868259250.db2.gz ODTKYGDPAJAWOY-UHFFFAOYSA-N -1 3 372.443 0.539 10 0 FCAEHM COC(=O)CC1([N-]S(=O)(=O)c2ccco2)CCS(=O)(=O)CC1 ZINC001321644596 868551781 /nfs/dbraw/zinc/55/17/81/868551781.db2.gz DZQJIUVDRJVRQU-UHFFFAOYSA-N -1 3 351.402 0.068 10 0 FCAEHM CC1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC001327683714 871011382 /nfs/dbraw/zinc/01/13/82/871011382.db2.gz YYCGCNGCMFILDH-KGLIPLIRSA-N -1 3 351.447 0.833 10 0 FCAEHM CN(C)CCN(CC(=O)[O-])C(=O)[C@@H](C[C@@H]1COCCO1)C(F)(F)F ZINC001327930073 871145244 /nfs/dbraw/zinc/14/52/44/871145244.db2.gz ZSXMGSFAUPEMPB-GHMZBOCLSA-N -1 3 356.341 0.445 10 0 FCAEHM CO[C@@H](C(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O)[C@H]1CCOC1 ZINC001328546413 871496351 /nfs/dbraw/zinc/49/63/51/871496351.db2.gz WYZCINQGUFTVMZ-IINYFYTJSA-N -1 3 360.407 0.865 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]Cc2nnc3n2CCCC3)on1 ZINC001328749020 871606431 /nfs/dbraw/zinc/60/64/31/871606431.db2.gz MRNZYVLWFOPDND-UHFFFAOYSA-N -1 3 369.403 0.399 10 0 FCAEHM COCCN(CCOC)C1CN(C(=O)c2c(C)[nH]c(=O)[n-]c2=S)C1 ZINC001347048314 872135941 /nfs/dbraw/zinc/13/59/41/872135941.db2.gz RHAXVKOJIWVKLH-UHFFFAOYSA-N -1 3 356.448 0.199 10 0 FCAEHM COc1c(=O)[n-]c(=O)[nH]c1C(=O)Nc1nc(C2CCOCC2)ns1 ZINC001330150223 872494392 /nfs/dbraw/zinc/49/43/92/872494392.db2.gz REEKTVPMMVGURT-UHFFFAOYSA-N -1 3 353.360 0.894 10 0 FCAEHM CC(=O)N1CCC([N-]S(=O)(=O)c2cn(C)nc2Br)CC1 ZINC001331906331 873299744 /nfs/dbraw/zinc/29/97/44/873299744.db2.gz CHAPMXQVKFZENY-UHFFFAOYSA-N -1 3 365.253 0.472 10 0 FCAEHM COC(=O)Cc1n[n-]c(NC(=O)[C@H](F)C2CN(C(=O)OC(C)(C)C)C2)n1 ZINC000291716173 214053657 /nfs/dbraw/zinc/05/36/57/214053657.db2.gz AURZYGMVYHNOQN-LLVKDONJSA-N -1 3 371.369 0.664 10 0 FCAEHM COC(=O)Cc1nnc(NC(=O)[C@H](F)C2CN(C(=O)OC(C)(C)C)C2)[n-]1 ZINC000291716173 214053660 /nfs/dbraw/zinc/05/36/60/214053660.db2.gz AURZYGMVYHNOQN-LLVKDONJSA-N -1 3 371.369 0.664 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)[C@H](F)C2CN(C(=O)OC(C)(C)C)C2)n[n-]1 ZINC000291716173 214053661 /nfs/dbraw/zinc/05/36/61/214053661.db2.gz AURZYGMVYHNOQN-LLVKDONJSA-N -1 3 371.369 0.664 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCC(=O)N(C)C2)c(F)cc1C ZINC000293648804 214189623 /nfs/dbraw/zinc/18/96/23/214189623.db2.gz XXDYXBJFAAHVNQ-SNVBAGLBSA-N -1 3 358.391 0.820 10 0 FCAEHM O=C(CCNC(=O)CN1CC(=O)[N-]C1=O)Nc1cc(Cl)cc(Cl)c1 ZINC000294087200 214222632 /nfs/dbraw/zinc/22/26/32/214222632.db2.gz NOSSLSVNOJCNIM-UHFFFAOYSA-N -1 3 373.196 0.990 10 0 FCAEHM CO[C@H]1COCC[C@H]1CC(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000295243914 214286085 /nfs/dbraw/zinc/28/60/85/214286085.db2.gz GHFKGKOBVBSDRS-RYUDHWBXSA-N -1 3 362.473 0.584 10 0 FCAEHM CC[C@H](NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1)[C@H](O)C(F)F ZINC000295578974 214305739 /nfs/dbraw/zinc/30/57/39/214305739.db2.gz WIHKHGFIGSEOGS-WEDXCCLWSA-N -1 3 356.416 0.936 10 0 FCAEHM O=C(CNC(=O)c1ccccn1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000265896597 210245304 /nfs/dbraw/zinc/24/53/04/210245304.db2.gz STEKOTPRTRSPFC-UHFFFAOYSA-N -1 3 368.393 0.502 10 0 FCAEHM COc1ccc([C@H](O)C2CCN(C(=O)CN3CC(=O)[N-]C3=O)CC2)cc1 ZINC000291052418 214010704 /nfs/dbraw/zinc/01/07/04/214010704.db2.gz IERSCHSZBPOIKF-KRWDZBQOSA-N -1 3 361.398 0.519 10 0 FCAEHM CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)CN1CC(=O)[N-]C1=O ZINC000265691972 210198617 /nfs/dbraw/zinc/19/86/17/210198617.db2.gz WLXQTAIAPPPXRP-MRXNPFEDSA-N -1 3 356.423 0.594 10 0 FCAEHM CCOC(=O)CN(Cc1ccc(F)cc1)C(=O)CN1CC(=O)[N-]C1=O ZINC000265660710 210190841 /nfs/dbraw/zinc/19/08/41/210190841.db2.gz OXCBYGRLTNHTLC-UHFFFAOYSA-N -1 3 351.334 0.269 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000290344752 213952676 /nfs/dbraw/zinc/95/26/76/213952676.db2.gz KSQRVJCOXXRHOL-QWHCGFSZSA-N -1 3 373.475 0.825 10 0 FCAEHM CC(C)(C)OC(=O)NC[C@@](C)(NC(=O)CN1CC(=O)[N-]C1=O)C1CC1 ZINC000265594016 210174445 /nfs/dbraw/zinc/17/44/45/210174445.db2.gz KMWDGPKPPLZFDE-MRXNPFEDSA-N -1 3 354.407 0.348 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1cccc(OCC(=O)N2CCCC2)c1 ZINC000265456047 210140192 /nfs/dbraw/zinc/14/01/92/210140192.db2.gz QNYSVAJIYCXRGA-UHFFFAOYSA-N -1 3 360.370 0.178 10 0 FCAEHM COc1cccc([C@H](C)N2CCN(C(=O)CN3CC(=O)[N-]C3=O)CC2)c1 ZINC000264938388 210021169 /nfs/dbraw/zinc/02/11/69/210021169.db2.gz PYRLLEUXBTYKHL-ZDUSSCGKSA-N -1 3 360.414 0.452 10 0 FCAEHM O=C(CCCc1ccccc1)N1CCN(C(=O)CN2CC(=O)[N-]C2=O)CC1 ZINC000264864164 210001633 /nfs/dbraw/zinc/00/16/33/210001633.db2.gz PZFGCRUDFAXFKO-UHFFFAOYSA-N -1 3 372.425 0.232 10 0 FCAEHM CN1CCO[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])C[C@@H]21 ZINC000333035364 215227368 /nfs/dbraw/zinc/22/73/68/215227368.db2.gz ILFYVVLLRRAOPH-XYJFISCASA-N -1 3 373.453 0.928 10 0 FCAEHM C[C@]1(C[C@@H]2CCCN2S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)NC(=O)[N-]C1=O ZINC000333172242 215245859 /nfs/dbraw/zinc/24/58/59/215245859.db2.gz NZGIRPJYGLPJDN-WUGLTUCPSA-N -1 3 355.460 0.957 10 0 FCAEHM C[C@@]1(C[C@@H]2CCCN2S(=O)(=O)c2ccccc2N)NC(=O)[N-]C1=O ZINC000285697051 213379613 /nfs/dbraw/zinc/37/96/13/213379613.db2.gz SCWZZDOYTPIGRW-BONVTDFDSA-N -1 3 352.416 0.410 10 0 FCAEHM Cn1cc([C@H](CO)NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cn1 ZINC000360438550 215360237 /nfs/dbraw/zinc/36/02/37/215360237.db2.gz YDNYWKPTYXWCQN-LSDHHAIUSA-N -1 3 358.398 0.580 10 0 FCAEHM COc1cccc(N2CC[C@@H](CNC(=O)c3cn(C)c(=O)[n-]c3=O)C2)c1 ZINC000263946465 209794873 /nfs/dbraw/zinc/79/48/73/209794873.db2.gz YSSKPSANTRRPJE-LBPRGKRZSA-N -1 3 358.398 0.751 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CO)C[C@@H](O)C(C)(C)C)s1 ZINC000284812551 213226217 /nfs/dbraw/zinc/22/62/17/213226217.db2.gz ZWPHWJALQNOYFJ-GXSJLCMTSA-N -1 3 365.473 0.971 10 0 FCAEHM CN1CCO[C@@H]2CCN(C(=O)c3ccc([C@@]4(C)NC(=O)[N-]C4=O)cc3)C[C@H]21 ZINC000284399652 213129782 /nfs/dbraw/zinc/12/97/82/213129782.db2.gz CBEXWPQVKXKKBG-SPYBWZPUSA-N -1 3 372.425 0.286 10 0 FCAEHM CCNC(=O)C[C@H]1CCCCN1S(=O)(=O)c1[n-]ncc1C(=O)OCC ZINC000284088716 213070916 /nfs/dbraw/zinc/07/09/16/213070916.db2.gz AMMFSXVDZXONGH-LLVKDONJSA-N -1 3 372.447 0.656 10 0 FCAEHM CCNC(=O)C[C@H]1CCCCN1S(=O)(=O)c1n[n-]cc1C(=O)OCC ZINC000284088716 213070918 /nfs/dbraw/zinc/07/09/18/213070918.db2.gz AMMFSXVDZXONGH-LLVKDONJSA-N -1 3 372.447 0.656 10 0 FCAEHM CO[C@@H]1CC[C@@H]2OCCN(C(=O)C[N-]S(=O)(=O)c3cccs3)[C@@H]2C1 ZINC000366829765 216038800 /nfs/dbraw/zinc/03/88/00/216038800.db2.gz FHDNZZBASOEFCJ-UPJWGTAASA-N -1 3 374.484 0.821 10 0 FCAEHM CS(=O)(=O)[N-]c1cc(C(=O)N2CCNC[C@@H]2C(F)F)ccc1F ZINC000368009360 216191977 /nfs/dbraw/zinc/19/19/77/216191977.db2.gz NEXRLLYFOXMHHP-LLVKDONJSA-N -1 3 351.350 0.876 10 0 FCAEHM C[C@H](C(=O)N1CCc2ccccc2C1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000192653283 209303367 /nfs/dbraw/zinc/30/33/67/209303367.db2.gz SHPZJHOAWWNVDW-BFUOFWGJSA-N -1 3 356.426 0.634 10 0 FCAEHM O=C(CSCC(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O)c1ccccc1 ZINC000279464903 212554582 /nfs/dbraw/zinc/55/45/82/212554582.db2.gz LJSNZFWWXSMYLF-KRWDZBQOSA-N -1 3 361.423 0.803 10 0 FCAEHM CN(C)c1ccc(S(=O)(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000278731276 212482310 /nfs/dbraw/zinc/48/23/10/212482310.db2.gz LYIPRYQUGFMPBF-HNNXBMFYSA-N -1 3 352.416 0.115 10 0 FCAEHM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000278171172 212433583 /nfs/dbraw/zinc/43/35/83/212433583.db2.gz FWTRHPAAHBFLOI-OCCSQVGLSA-N -1 3 355.460 0.082 10 0 FCAEHM COc1ccnc(N2CCN(C(=O)c3cc(F)cc4[n-]nnc43)CC2)n1 ZINC000277796902 212397861 /nfs/dbraw/zinc/39/78/61/212397861.db2.gz VKLJNCGNUBJKOD-UHFFFAOYSA-N -1 3 357.349 0.858 10 0 FCAEHM COc1ccnc(N2CCN(C(=O)c3cc(F)cc4nn[n-]c43)CC2)n1 ZINC000277796902 212397863 /nfs/dbraw/zinc/39/78/63/212397863.db2.gz VKLJNCGNUBJKOD-UHFFFAOYSA-N -1 3 357.349 0.858 10 0 FCAEHM COc1ccnc(N2CCN(C(=O)c3cc(F)cc4n[n-]nc43)CC2)n1 ZINC000277796902 212397866 /nfs/dbraw/zinc/39/78/66/212397866.db2.gz VKLJNCGNUBJKOD-UHFFFAOYSA-N -1 3 357.349 0.858 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(C(=O)[C@@H]3CSC(=O)N3)CC2)[n-]1 ZINC000277595819 212378319 /nfs/dbraw/zinc/37/83/19/212378319.db2.gz DTFAKFSIDYDANU-VIFPVBQESA-N -1 3 353.404 0.512 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(C(=O)[C@@H]3CSC(=O)N3)CC2)n[n-]1 ZINC000277595819 212378323 /nfs/dbraw/zinc/37/83/23/212378323.db2.gz DTFAKFSIDYDANU-VIFPVBQESA-N -1 3 353.404 0.512 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(C(=O)[C@H]3CSC(=O)N3)CC2)[n-]1 ZINC000277595815 212378124 /nfs/dbraw/zinc/37/81/24/212378124.db2.gz DTFAKFSIDYDANU-SECBINFHSA-N -1 3 353.404 0.512 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(C(=O)[C@H]3CSC(=O)N3)CC2)n[n-]1 ZINC000277595815 212378126 /nfs/dbraw/zinc/37/81/26/212378126.db2.gz DTFAKFSIDYDANU-SECBINFHSA-N -1 3 353.404 0.512 10 0 FCAEHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C(C)(C)[C@@H](O)C(=O)OC ZINC000276997708 212316950 /nfs/dbraw/zinc/31/69/50/212316950.db2.gz GBQLDVWAQBRDAZ-NSHDSACASA-N -1 3 363.363 0.203 10 0 FCAEHM Cc1noc(CC[N-]S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)n1 ZINC000275393650 212018043 /nfs/dbraw/zinc/01/80/43/212018043.db2.gz AVOICAAJDGJIOD-UHFFFAOYSA-N -1 3 374.444 0.149 10 0 FCAEHM CC(C)[C@@H](C(=O)Nc1cc(-c2nccn2C)[n-]n1)N1CCCS1(=O)=O ZINC000185535951 209177961 /nfs/dbraw/zinc/17/79/61/209177961.db2.gz RSYVLRXTRORMML-ZDUSSCGKSA-N -1 3 366.447 0.809 10 0 FCAEHM CC(C)[C@@H](C(=O)Nc1cc(-c2nccn2C)n[n-]1)N1CCCS1(=O)=O ZINC000185535951 209177963 /nfs/dbraw/zinc/17/79/63/209177963.db2.gz RSYVLRXTRORMML-ZDUSSCGKSA-N -1 3 366.447 0.809 10 0 FCAEHM COC(=O)c1c(C2CC2)csc1[N-]C(=O)C(=O)N1CCNC(=O)CC1 ZINC000373683520 217045752 /nfs/dbraw/zinc/04/57/52/217045752.db2.gz WEDZTXCMIPQFKC-UHFFFAOYSA-N -1 3 365.411 0.699 10 0 FCAEHM C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)C[N-]S(=O)(=O)c2cccs2)CC1=O ZINC000374139888 217100552 /nfs/dbraw/zinc/10/05/52/217100552.db2.gz GAGGRUAHSMICIJ-OUAUKWLOSA-N -1 3 357.457 0.152 10 0 FCAEHM O=C(CC[C@H]1NC(=O)[N-]C1=O)N1CCOC[C@@H]1Cc1c[nH]c2ccccc12 ZINC000374346327 217120396 /nfs/dbraw/zinc/12/03/96/217120396.db2.gz QZNZNDZTLVXCEN-XJKSGUPXSA-N -1 3 370.409 0.926 10 0 FCAEHM COCCN1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC1=O ZINC000374618956 217148518 /nfs/dbraw/zinc/14/85/18/217148518.db2.gz IRRUMTVQXMDYLP-AWEZNQCLSA-N -1 3 361.398 0.272 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCn3cc(C)nc3C2)ccc1F ZINC000374696025 217158279 /nfs/dbraw/zinc/15/82/79/217158279.db2.gz VWICABAGROFRJK-UHFFFAOYSA-N -1 3 352.391 0.895 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCOC[C@H]1c1noc(-c2ccccc2)n1 ZINC000374789790 217174116 /nfs/dbraw/zinc/17/41/16/217174116.db2.gz YLODJYGGEOMGPN-LBPRGKRZSA-N -1 3 371.353 0.188 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@]2(C1)CCCOC2 ZINC000375193606 217228489 /nfs/dbraw/zinc/22/84/89/217228489.db2.gz WCHFNPATHJZEMK-OAHLLOKOSA-N -1 3 374.484 0.786 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CC[C@@]2(C1)CCCOC2 ZINC000375316880 217248676 /nfs/dbraw/zinc/24/86/76/217248676.db2.gz FHMZUDVEJMJHNZ-CQSZACIVSA-N -1 3 372.219 0.741 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCNC[C@@H]2c2cnn(C)c2)c(C)o1 ZINC000181333628 209111262 /nfs/dbraw/zinc/11/12/62/209111262.db2.gz UOCZEKGYFBQZTJ-CYBMUJFWSA-N -1 3 367.431 0.016 10 0 FCAEHM O=C(NCC1(N2CCOCC2)CC1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000375934429 217336522 /nfs/dbraw/zinc/33/65/22/217336522.db2.gz WGSZDEAMORLJHZ-INIZCTEOSA-N -1 3 373.453 0.978 10 0 FCAEHM COCCOCCS(=O)(=O)[N-]C(C)(C)c1nocc1C(=O)OC ZINC000425226920 247309138 /nfs/dbraw/zinc/30/91/38/247309138.db2.gz NTZZFBBYRLBAEH-UHFFFAOYSA-N -1 3 350.393 0.279 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CC[C@H]1O ZINC000425318716 247322452 /nfs/dbraw/zinc/32/24/52/247322452.db2.gz BOWMICWHTLYZKQ-GHMZBOCLSA-N -1 3 353.227 0.911 10 0 FCAEHM COCCN(C(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)[C@H]1CCOC1 ZINC000428544546 247594315 /nfs/dbraw/zinc/59/43/15/247594315.db2.gz JDTZXSXXPHTXLR-RYUDHWBXSA-N -1 3 362.473 0.679 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)NCC(=O)NCc2ccco2)c([O-])c1 ZINC000436706330 248048289 /nfs/dbraw/zinc/04/82/89/248048289.db2.gz CJGUUZCODUKHDW-UHFFFAOYSA-N -1 3 359.382 0.846 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCN(C)C(=O)[C@@H]1C ZINC000440286536 248170287 /nfs/dbraw/zinc/17/02/87/248170287.db2.gz RWUOTPGZRFGRCF-JTQLQIEISA-N -1 3 367.427 0.861 10 0 FCAEHM O=S(=O)([N-]C[C@@H]1CN2CCN1CC2)c1cnccc1C(F)(F)F ZINC000442745016 248294401 /nfs/dbraw/zinc/29/44/01/248294401.db2.gz UNJOGNYNOGGKDH-SNVBAGLBSA-N -1 3 350.366 0.379 10 0 FCAEHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]C[C@@]1(CCO)CCOC1 ZINC000442743853 248294778 /nfs/dbraw/zinc/29/47/78/248294778.db2.gz FYRVIULZDDPESB-CQSZACIVSA-N -1 3 363.457 0.911 10 0 FCAEHM O=C1[N-]C(=O)N2CCN(S(=O)(=O)c3cnccc3C(F)(F)F)C[C@@H]12 ZINC000442767498 248295349 /nfs/dbraw/zinc/29/53/49/248295349.db2.gz RAECFMGVMVDMKM-QMMMGPOBSA-N -1 3 364.305 0.025 10 0 FCAEHM COC(=O)c1nscc1S(=O)(=O)[N-]CCNC(=O)c1ccccc1 ZINC000443028370 248303266 /nfs/dbraw/zinc/30/32/66/248303266.db2.gz OQZVNFXBMMQSCC-UHFFFAOYSA-N -1 3 369.424 0.638 10 0 FCAEHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCC[C@H](C(N)=O)C1 ZINC000443111964 248307706 /nfs/dbraw/zinc/30/77/06/248307706.db2.gz QGIFQUKYQJFDIB-UWVGGRQHSA-N -1 3 358.391 0.935 10 0 FCAEHM COC(=O)c1nscc1S(=O)(=O)[N-]C[C@@H](O)Cc1ccccc1 ZINC000443226050 248312383 /nfs/dbraw/zinc/31/23/83/248312383.db2.gz MCRAWOAUVGPRLR-NSHDSACASA-N -1 3 356.425 0.812 10 0 FCAEHM CSC[C@@](C)(O)C[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000443259235 248317119 /nfs/dbraw/zinc/31/71/19/248317119.db2.gz ZHZWVVPVDLRBCX-LBPRGKRZSA-N -1 3 353.487 0.482 10 0 FCAEHM CC(F)(F)c1cccc(NC(=O)C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)c1 ZINC000442026561 248271650 /nfs/dbraw/zinc/27/16/50/248271650.db2.gz HINNBOVLZDFJST-LLVKDONJSA-N -1 3 366.324 0.499 10 0 FCAEHM NC(=O)CC1(NC(=O)CC[N-]S(=O)(=O)c2ccccc2F)CCC1 ZINC000443793797 248340333 /nfs/dbraw/zinc/34/03/33/248340333.db2.gz XPGDJSUKHMHNLH-UHFFFAOYSA-N -1 3 357.407 0.408 10 0 FCAEHM CCOC(=O)[C@H]1CN(C(=O)CNC(=O)c2cccc([O-])c2)CC12COC2 ZINC000452267430 249305640 /nfs/dbraw/zinc/30/56/40/249305640.db2.gz VHZMVDPLRNUXDK-CQSZACIVSA-N -1 3 362.382 0.160 10 0 FCAEHM COc1nnc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(C)cc3)C2=O)[n-]1 ZINC000271319087 211378920 /nfs/dbraw/zinc/37/89/20/211378920.db2.gz WZHGHVFJXKMRRT-INIZCTEOSA-N -1 3 358.358 0.527 10 0 FCAEHM COc1nc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(C)cc3)C2=O)n[n-]1 ZINC000271319087 211378921 /nfs/dbraw/zinc/37/89/21/211378921.db2.gz WZHGHVFJXKMRRT-INIZCTEOSA-N -1 3 358.358 0.527 10 0 FCAEHM COc1n[n-]c(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(C)cc3)C2=O)n1 ZINC000271319087 211378924 /nfs/dbraw/zinc/37/89/24/211378924.db2.gz WZHGHVFJXKMRRT-INIZCTEOSA-N -1 3 358.358 0.527 10 0 FCAEHM C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000271390419 211393005 /nfs/dbraw/zinc/39/30/05/211393005.db2.gz LDZFMABUFOWANI-VWYCJHECSA-N -1 3 354.407 0.441 10 0 FCAEHM C[C@@H]1CN(Cc2ccccc2NC(=O)C[C@@H]2NC(=O)[N-]C2=O)C[C@H](C)O1 ZINC000271376454 211390812 /nfs/dbraw/zinc/39/08/12/211390812.db2.gz MPFZSFWTZJQSJX-ZOWXZIJZSA-N -1 3 360.414 0.832 10 0 FCAEHM COc1nnc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)[n-]1 ZINC000271311127 211376504 /nfs/dbraw/zinc/37/65/04/211376504.db2.gz VJVQCVURHBZGQH-UHFFFAOYSA-N -1 3 369.378 0.989 10 0 FCAEHM COc1nc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)n[n-]1 ZINC000271311127 211376509 /nfs/dbraw/zinc/37/65/09/211376509.db2.gz VJVQCVURHBZGQH-UHFFFAOYSA-N -1 3 369.378 0.989 10 0 FCAEHM COc1n[n-]c(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)n1 ZINC000271311127 211376514 /nfs/dbraw/zinc/37/65/14/211376514.db2.gz VJVQCVURHBZGQH-UHFFFAOYSA-N -1 3 369.378 0.989 10 0 FCAEHM CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1nnc(OC)[n-]1)C2=O ZINC000271295093 211374805 /nfs/dbraw/zinc/37/48/05/211374805.db2.gz RDNDFOUTSNRLBX-UHFFFAOYSA-N -1 3 350.379 0.643 10 0 FCAEHM CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1n[n-]c(OC)n1)C2=O ZINC000271295093 211374808 /nfs/dbraw/zinc/37/48/08/211374808.db2.gz RDNDFOUTSNRLBX-UHFFFAOYSA-N -1 3 350.379 0.643 10 0 FCAEHM CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1nc(OC)n[n-]1)C2=O ZINC000271295093 211374811 /nfs/dbraw/zinc/37/48/11/211374811.db2.gz RDNDFOUTSNRLBX-UHFFFAOYSA-N -1 3 350.379 0.643 10 0 FCAEHM COc1nnc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)[n-]1 ZINC000271247434 211364113 /nfs/dbraw/zinc/36/41/13/211364113.db2.gz GOXBOMLOFNUPOL-MRVPVSSYSA-N -1 3 357.417 0.667 10 0 FCAEHM COc1nc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)n[n-]1 ZINC000271247434 211364118 /nfs/dbraw/zinc/36/41/18/211364118.db2.gz GOXBOMLOFNUPOL-MRVPVSSYSA-N -1 3 357.417 0.667 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)n1 ZINC000271247434 211364122 /nfs/dbraw/zinc/36/41/22/211364122.db2.gz GOXBOMLOFNUPOL-MRVPVSSYSA-N -1 3 357.417 0.667 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](C)[C@@H](C)CO)cc1F ZINC000271213451 211355901 /nfs/dbraw/zinc/35/59/01/211355901.db2.gz MKSCTDJAHPDARN-UWVGGRQHSA-N -1 3 368.452 0.883 10 0 FCAEHM Cc1cc(-c2noc([C@@H](C)NC(=O)C[C@@H]3NC(=O)[N-]C3=O)n2)ccc1F ZINC000270936102 211303635 /nfs/dbraw/zinc/30/36/35/211303635.db2.gz ZBRIGPLIGAZHDD-KCJUWKMLSA-N -1 3 361.333 0.959 10 0 FCAEHM CCOC(=O)C1(O)CCN(C(=O)c2cc(OC)c([O-])c(OC)c2)CC1 ZINC000270839442 211280635 /nfs/dbraw/zinc/28/06/35/211280635.db2.gz UTERYQGHHDVPDZ-UHFFFAOYSA-N -1 3 353.371 0.940 10 0 FCAEHM CCC[C@@H]1C(=O)NCCN1C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000270841593 211280753 /nfs/dbraw/zinc/28/07/53/211280753.db2.gz IDHTYQFHVWZPIS-WCQYABFASA-N -1 3 371.434 0.620 10 0 FCAEHM COc1ccccc1[C@H](CNC(=O)C[C@@H]1NC(=O)[N-]C1=O)N1CCCCC1 ZINC000270703501 211252255 /nfs/dbraw/zinc/25/22/55/211252255.db2.gz JSAZJKDYPUZTEL-GJZGRUSLSA-N -1 3 374.441 0.937 10 0 FCAEHM C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000270641823 211239433 /nfs/dbraw/zinc/23/94/33/211239433.db2.gz YIBQVEXWSPRTKP-HOCLYGCPSA-N -1 3 374.441 0.334 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CSC[C@H]1C(=O)Nc1ccccc1F ZINC000270567996 211225026 /nfs/dbraw/zinc/22/50/26/211225026.db2.gz GBTKOBASFRXZTL-QWRGUYRKSA-N -1 3 366.374 0.264 10 0 FCAEHM CC[C@@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1)C(=O)OC ZINC000270542219 211219013 /nfs/dbraw/zinc/21/90/13/211219013.db2.gz YHOHPNIHLQUHMY-SNVBAGLBSA-N -1 3 368.408 0.427 10 0 FCAEHM COc1ccc(Br)c(CN(C)C(=O)CN2CC(=O)[N-]C2=O)c1 ZINC000469868535 250010191 /nfs/dbraw/zinc/01/01/91/250010191.db2.gz DMQNPXHMESMLRH-UHFFFAOYSA-N -1 3 370.203 0.968 10 0 FCAEHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)CN2C(=O)NC(=O)C2(C)C)c1 ZINC000469720135 250001093 /nfs/dbraw/zinc/00/10/93/250001093.db2.gz KRCIRRRWPYCVCL-UHFFFAOYSA-N -1 3 368.415 0.635 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1C[C@@H](C)O[C@@H](CO)C1 ZINC000470390666 250041389 /nfs/dbraw/zinc/04/13/89/250041389.db2.gz YJNOJXJUBUASMR-GRYCIOLGSA-N -1 3 360.407 0.101 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1C[C@H](CO)O[C@@H](C)C1 ZINC000470390667 250041514 /nfs/dbraw/zinc/04/15/14/250041514.db2.gz YJNOJXJUBUASMR-SDDRHHMPSA-N -1 3 360.407 0.101 10 0 FCAEHM COc1ccccc1[C@@H](CNC(=O)C[C@@H]1NC(=O)[N-]C1=O)N1CCCC1 ZINC000270181070 211163622 /nfs/dbraw/zinc/16/36/22/211163622.db2.gz CENWIUNDFGRIJV-UONOGXRCSA-N -1 3 360.414 0.546 10 0 FCAEHM CNS(=O)(=O)c1ccc(CNC(=O)NCc2ncccc2[O-])s1 ZINC000471524409 250105089 /nfs/dbraw/zinc/10/50/89/250105089.db2.gz YPAIKVTYHTWQFY-UHFFFAOYSA-N -1 3 356.429 0.756 10 0 FCAEHM C[C@@H]1CCCN1S(=O)(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000472580023 250162949 /nfs/dbraw/zinc/16/29/49/250162949.db2.gz JYGSHKVTFSXGAD-CYBMUJFWSA-N -1 3 353.444 0.879 10 0 FCAEHM COC(=O)C1CCC([N-]S(=O)(=O)N2CCC[C@H]2C)(C(=O)OC)CC1 ZINC000472605056 250166012 /nfs/dbraw/zinc/16/60/12/250166012.db2.gz WIJQCACAFDGWLO-XIKARTHZSA-N -1 3 362.448 0.580 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)Cc2nc([C@H](C)OC)no2)cn1 ZINC000472644426 250169207 /nfs/dbraw/zinc/16/92/07/250169207.db2.gz FHSMLGNAYCVOBQ-VIFPVBQESA-N -1 3 369.403 0.352 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)Cc2nc([C@@H](C)OC)no2)cn1 ZINC000472644425 250169648 /nfs/dbraw/zinc/16/96/48/250169648.db2.gz FHSMLGNAYCVOBQ-SECBINFHSA-N -1 3 369.403 0.352 10 0 FCAEHM COC(=O)c1cc(OC)ccc1NC(=O)C(=O)NCc1ncccc1[O-] ZINC000473038400 250195754 /nfs/dbraw/zinc/19/57/54/250195754.db2.gz YAWRSZPKRSZSJG-UHFFFAOYSA-N -1 3 359.338 0.837 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H](O)C(C)C)c(C(=O)OC)s1 ZINC000269806973 211084499 /nfs/dbraw/zinc/08/44/99/211084499.db2.gz UBHWMUGJBQWGSA-MRVPVSSYSA-N -1 3 365.429 0.617 10 0 FCAEHM COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ncccc2[O-])cc1 ZINC000473627507 250241897 /nfs/dbraw/zinc/24/18/97/250241897.db2.gz BERLUHNAQYTHOV-NSHDSACASA-N -1 3 365.411 0.779 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]Cc2cccc(OCC(=O)OC)c2)c1 ZINC000474138539 250274081 /nfs/dbraw/zinc/27/40/81/250274081.db2.gz SUPSCLLTNPALGK-UHFFFAOYSA-N -1 3 353.400 0.933 10 0 FCAEHM O=C(c1cc(S(=O)(=O)NCc2ncccc2[O-])c[nH]1)N1CCCC1 ZINC000480734415 250280019 /nfs/dbraw/zinc/28/00/19/250280019.db2.gz HSPDKYGSDAJSRF-UHFFFAOYSA-N -1 3 350.400 0.830 10 0 FCAEHM COC(=O)[C@@H](O)C(C)(C)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000480857222 250289217 /nfs/dbraw/zinc/28/92/17/250289217.db2.gz MIARUAHWNNKAKF-SECBINFHSA-N -1 3 356.322 0.691 10 0 FCAEHM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-][C@H](C)[C@@H](C)CO)c1 ZINC000269775952 211074381 /nfs/dbraw/zinc/07/43/81/211074381.db2.gz NVCWGAOGWWALJV-VHSXEESVSA-N -1 3 359.400 0.555 10 0 FCAEHM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-][C@H]2[C@@H]3COC[C@@H]32)c1 ZINC000481229233 250324038 /nfs/dbraw/zinc/32/40/38/250324038.db2.gz ICEVNVFWWRLBLQ-PJXYFTJBSA-N -1 3 355.368 0.183 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-]C[C@H](O)C(F)(F)F)cc(F)c1F ZINC000269750055 211065436 /nfs/dbraw/zinc/06/54/36/211065436.db2.gz YNOMYOIDDQWRNZ-QMMMGPOBSA-N -1 3 363.260 0.953 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1CC(=O)N(C2CC2)C1 ZINC000481380487 250333015 /nfs/dbraw/zinc/33/30/15/250333015.db2.gz YTNUPDFYBBMXGA-SNVBAGLBSA-N -1 3 358.441 0.132 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)NC[C@H](O)C(F)(F)F ZINC000269691479 211045618 /nfs/dbraw/zinc/04/56/18/211045618.db2.gz PVDNWWWGYXKGRK-ZETCQYMHSA-N -1 3 361.367 0.249 10 0 FCAEHM COCCN1CCN(C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)C[C@@H]1C ZINC000117284165 208341661 /nfs/dbraw/zinc/34/16/61/208341661.db2.gz NFRUTRUKHJORKU-LBPRGKRZSA-N -1 3 361.446 0.361 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)n[n-]1 ZINC000119824396 208366367 /nfs/dbraw/zinc/36/63/67/208366367.db2.gz YGEGKTTXFYQRLE-UHFFFAOYSA-N -1 3 365.353 0.452 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)[n-]n1 ZINC000119824396 208366374 /nfs/dbraw/zinc/36/63/74/208366374.db2.gz YGEGKTTXFYQRLE-UHFFFAOYSA-N -1 3 365.353 0.452 10 0 FCAEHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCC[C@H](C(=O)OC)C1 ZINC000266637350 210371942 /nfs/dbraw/zinc/37/19/42/210371942.db2.gz SYYMGZKTIMCDNX-VIFPVBQESA-N -1 3 354.384 0.885 10 0 FCAEHM Cc1cc(N2CCC[C@@H]([N-]S(=O)(=O)N3CCCC[C@@H]3C)C2=O)n(C)n1 ZINC000266376066 210330101 /nfs/dbraw/zinc/33/01/01/210330101.db2.gz WTFNFNAEDYDONN-UONOGXRCSA-N -1 3 369.491 0.933 10 0 FCAEHM Cc1cc(N2CC[C@@H](Sc3nnc4[n-]c(=O)c(C)nn43)C2=O)n(C)n1 ZINC000266227045 210306134 /nfs/dbraw/zinc/30/61/34/210306134.db2.gz HCXSXTAIFNWVPC-SECBINFHSA-N -1 3 360.403 0.473 10 0 FCAEHM CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)CN1CC(=O)[N-]C1=O ZINC000266064722 210275979 /nfs/dbraw/zinc/27/59/79/210275979.db2.gz JBNPXSXLEDOFMF-UHFFFAOYSA-N -1 3 371.296 0.527 10 0 FCAEHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCO[C@H]([C@@H](C)O)C1 ZINC000411951421 533678327 /nfs/dbraw/zinc/67/83/27/533678327.db2.gz OWSPYMUOSVEVML-ZJUUUORDSA-N -1 3 356.400 0.390 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2c2nc[nH]n2)c(C)o1 ZINC000179345193 209075574 /nfs/dbraw/zinc/07/55/74/209075574.db2.gz JIDHAVYLDYAABY-LLVKDONJSA-N -1 3 353.404 0.982 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2c2nnc[nH]2)c(C)o1 ZINC000179345193 209075576 /nfs/dbraw/zinc/07/55/76/209075576.db2.gz JIDHAVYLDYAABY-LLVKDONJSA-N -1 3 353.404 0.982 10 0 FCAEHM Cc1cc(N2CCC[C@H]([N-]C(=O)C(F)(F)C3(O)CCC3)C2=O)n(C)n1 ZINC000179483553 209081064 /nfs/dbraw/zinc/08/10/64/209081064.db2.gz SNCQFFRNLDATLJ-NSHDSACASA-N -1 3 356.373 0.890 10 0 FCAEHM Cn1ncc2c1ncc(C(=O)N1CCNC(=O)[C@H]1c1ccccc1)c2[O-] ZINC000179466650 209081816 /nfs/dbraw/zinc/08/18/16/209081816.db2.gz YOROAYDSXAMBMG-CQSZACIVSA-N -1 3 351.366 0.987 10 0 FCAEHM CCn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)nc1C ZINC000409810337 230046436 /nfs/dbraw/zinc/04/64/36/230046436.db2.gz HTOPULGFNPXFEJ-VXGBXAGGSA-N -1 3 364.493 0.208 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)NCC[C@@H](O)C(F)(F)F ZINC000410054777 230055363 /nfs/dbraw/zinc/05/53/63/230055363.db2.gz MLWLKTUFRMGDON-LLVKDONJSA-N -1 3 372.340 0.924 10 0 FCAEHM C[C@@]1(c2ccc(C(=O)NCC[C@@H](O)C(F)(F)F)cc2)NC(=O)[N-]C1=O ZINC000410063565 230057023 /nfs/dbraw/zinc/05/70/23/230057023.db2.gz WLKRCNJBSSPOSI-YGRLFVJLSA-N -1 3 359.304 0.784 10 0 FCAEHM C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-][C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000278625093 488885670 /nfs/dbraw/zinc/88/56/70/488885670.db2.gz GGRBYBVLNNLABR-FZMZJTMJSA-N -1 3 371.434 0.323 10 0 FCAEHM Cc1ccc(S(=O)(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c2cccnc12 ZINC000278799144 488896486 /nfs/dbraw/zinc/89/64/86/488896486.db2.gz RHZXRPPTOLWBIX-KRWDZBQOSA-N -1 3 374.422 0.906 10 0 FCAEHM COc1ccc2[nH]cc(CC(=O)N3CCC[C@]4(C3)NC(=O)[N-]C4=O)c2c1 ZINC000279042123 488912684 /nfs/dbraw/zinc/91/26/84/488912684.db2.gz ACMUCMOPCOFISL-GOSISDBHSA-N -1 3 356.382 0.920 10 0 FCAEHM Cn1nccc1N1CCC[C@@H]([N-]S(=O)(=O)CC[C@H]2CCCO2)C1=O ZINC000328612802 488923273 /nfs/dbraw/zinc/92/32/73/488923273.db2.gz QAAFYVJBBZRDJN-CHWSQXEVSA-N -1 3 356.448 0.404 10 0 FCAEHM CN(Cc1cc(=O)[n-]c(N)n1)[C@H]1CCN(C(=O)COC2CCCCC2)C1 ZINC000328626826 488924577 /nfs/dbraw/zinc/92/45/77/488924577.db2.gz FLUXSYPBYABAIG-AWEZNQCLSA-N -1 3 363.462 1.146 10 0 FCAEHM O=C(CN1CCC[C@@]2(C1)NC(=O)[N-]C2=O)Nc1nc2ccccc2s1 ZINC000279144025 488919659 /nfs/dbraw/zinc/91/96/59/488919659.db2.gz XXCDLWJOYXSCSC-INIZCTEOSA-N -1 3 359.411 0.909 10 0 FCAEHM CN(CCCOc1ccccc1)C(=O)CN1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279148554 488919893 /nfs/dbraw/zinc/91/98/93/488919893.db2.gz YJOSCRCZWJFJHZ-IBGZPJMESA-N -1 3 374.441 0.588 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCC(COc2ccc(Cl)nc2)CC1 ZINC000364097932 488922489 /nfs/dbraw/zinc/92/24/89/488922489.db2.gz CSSYLOYJDUKDDI-UHFFFAOYSA-N -1 3 366.805 0.904 10 0 FCAEHM C[C@@H]1CC[C@@H](C(=O)N2CC[C@@H](N(C)Cc3cc(=O)[n-]c(N(C)C)n3)C2)O1 ZINC000328629293 488924874 /nfs/dbraw/zinc/92/48/74/488924874.db2.gz ICTXYKOMBIVAME-YUELXQCFSA-N -1 3 363.462 0.848 10 0 FCAEHM CN(Cc1cc(=O)[n-]c(N)n1)[C@H]1CCN(C(=O)[C@@H]2COc3ccccc32)C1 ZINC000328648414 488926486 /nfs/dbraw/zinc/92/64/86/488926486.db2.gz UMQCNQGYTHNYHS-DZGCQCFKSA-N -1 3 369.425 0.973 10 0 FCAEHM O=C(c1cc(F)cc2[n-]nnc21)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000328662163 488928379 /nfs/dbraw/zinc/92/83/79/488928379.db2.gz XEYOVASYAUQWHG-NSHDSACASA-N -1 3 361.377 0.808 10 0 FCAEHM O=C(c1cc(F)cc2nn[n-]c21)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000328662163 488928383 /nfs/dbraw/zinc/92/83/83/488928383.db2.gz XEYOVASYAUQWHG-NSHDSACASA-N -1 3 361.377 0.808 10 0 FCAEHM O=C(c1cc(F)cc2n[n-]nc21)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000328662163 488928386 /nfs/dbraw/zinc/92/83/86/488928386.db2.gz XEYOVASYAUQWHG-NSHDSACASA-N -1 3 361.377 0.808 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N1CCN2CCC1CC2 ZINC000328799660 488939113 /nfs/dbraw/zinc/93/91/13/488939113.db2.gz XULQHQRNJROWKR-UHFFFAOYSA-N -1 3 359.398 0.550 10 0 FCAEHM COCCOc1cccc(C=CC(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000279404078 488939514 /nfs/dbraw/zinc/93/95/14/488939514.db2.gz HAJGSSBGVUQYDP-GHOSXJJBSA-N -1 3 373.409 0.926 10 0 FCAEHM Cc1c(CC(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)nnn1-c1ccccc1 ZINC000279417466 488940573 /nfs/dbraw/zinc/94/05/73/488940573.db2.gz HZWSWDDEMQOGPM-GOSISDBHSA-N -1 3 368.397 0.319 10 0 FCAEHM COc1cc(C=CC(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc(OC)c1 ZINC000279376795 488936985 /nfs/dbraw/zinc/93/69/85/488936985.db2.gz FFMBXQBHGUKICR-WRFKIARRSA-N -1 3 359.382 0.918 10 0 FCAEHM COC(=O)[C@@H](C)Oc1ccc(CN2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000279383014 488937796 /nfs/dbraw/zinc/93/77/96/488937796.db2.gz JHXAVMOKCINUIE-KZULUSFZSA-N -1 3 361.398 0.801 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2cccnc2-n2ccnc2)cn1 ZINC000364224804 488938436 /nfs/dbraw/zinc/93/84/36/488938436.db2.gz XVIPVHGIVJXXOP-UHFFFAOYSA-N -1 3 372.410 0.500 10 0 FCAEHM O=C(Cn1cc(-c2ccccc2)nn1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279526045 488949862 /nfs/dbraw/zinc/94/98/62/488949862.db2.gz PUVFSLZUSIYIEM-QGZVFWFLSA-N -1 3 354.370 0.146 10 0 FCAEHM COc1ccc(C(C)=O)cc1CC(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279586334 488954385 /nfs/dbraw/zinc/95/43/85/488954385.db2.gz USIHGTUYRABPNJ-GOSISDBHSA-N -1 3 359.382 0.641 10 0 FCAEHM O=C(c1ccccc1)N1CSC[C@H]1C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000328960255 488955637 /nfs/dbraw/zinc/95/56/37/488955637.db2.gz PLFVVUIXGADIIL-STQMWFEESA-N -1 3 374.422 0.805 10 0 FCAEHM Cc1c2ccccc2oc(=O)c1C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279630368 488957715 /nfs/dbraw/zinc/95/77/15/488957715.db2.gz XZFDGAJFADYVDW-GOSISDBHSA-N -1 3 355.350 0.916 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)NCCCN1CCCC1=O ZINC000025377027 487665015 /nfs/dbraw/zinc/66/50/15/487665015.db2.gz SHBLTOPNAZZQSU-UHFFFAOYSA-N -1 3 358.398 0.621 10 0 FCAEHM Cc1ccc([O-])c(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 ZINC000045075814 487931179 /nfs/dbraw/zinc/93/11/79/487931179.db2.gz NPSFCWHONKXDLZ-UHFFFAOYSA-N -1 3 369.443 0.035 10 0 FCAEHM CCN1CCN(Cc2ccccc2CNC(=O)C[C@@H]2NC(=O)[N-]C2=O)CC1 ZINC000046940213 488001496 /nfs/dbraw/zinc/00/14/96/488001496.db2.gz LHPVWLZDJCFWTG-INIZCTEOSA-N -1 3 373.457 0.038 10 0 FCAEHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@@H]3NC(=O)NC3=O)c2)n1 ZINC000049304811 488094967 /nfs/dbraw/zinc/09/49/67/488094967.db2.gz KUJDBYWKGFULEG-LBPRGKRZSA-N -1 3 355.354 0.536 10 0 FCAEHM C[C@H]1CN(S(=O)(=O)[N-]CC(=O)N2CCCc3ccccc32)C[C@H](C)O1 ZINC000057101403 488266345 /nfs/dbraw/zinc/26/63/45/488266345.db2.gz QFGLZVKNZXZCEP-KBPBESRZSA-N -1 3 367.471 0.909 10 0 FCAEHM COC[C@@H]1CCCN1S(=O)(=O)c1sc2c(c1C(=O)[O-])CCNC2 ZINC000067650689 488354429 /nfs/dbraw/zinc/35/44/29/488354429.db2.gz ZPROOKDXHIAIQT-VIFPVBQESA-N -1 3 360.457 0.892 10 0 FCAEHM COC(=O)[C@@H](C)CN(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000068083664 488360232 /nfs/dbraw/zinc/36/02/32/488360232.db2.gz LCKSNFDPHGZQIZ-QWRGUYRKSA-N -1 3 360.407 0.760 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000068098854 488360469 /nfs/dbraw/zinc/36/04/69/488360469.db2.gz FCMZKTRMEFJGTG-SRVKXCTJSA-N -1 3 371.434 0.605 10 0 FCAEHM CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000068277534 488363204 /nfs/dbraw/zinc/36/32/04/488363204.db2.gz OPKUFTCGVADOFU-UTUOFQBUSA-N -1 3 373.450 0.912 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCCN1CCOCC1 ZINC000068323202 488363607 /nfs/dbraw/zinc/36/36/07/488363607.db2.gz JDAKZMFICCDASE-ZDUSSCGKSA-N -1 3 373.450 0.331 10 0 FCAEHM Cc1nc(C)c(CC(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)c(=O)[n-]1 ZINC000068440166 488365348 /nfs/dbraw/zinc/36/53/48/488365348.db2.gz JKSHXFCQQJRNSE-ZDUSSCGKSA-N -1 3 360.389 0.529 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)Nc1ccc2c(c1)CCCN2C ZINC000268153416 488390985 /nfs/dbraw/zinc/39/09/85/488390985.db2.gz BTNIUGFBJCUQGH-UHFFFAOYSA-N -1 3 355.460 0.963 10 0 FCAEHM Cn1ccnc1CN1CCC[C@@H](NC(=O)c2cc(=O)[n-]c(C3CC3)n2)C1=O ZINC000569823777 491195137 /nfs/dbraw/zinc/19/51/37/491195137.db2.gz OAUPCBRFOGJJJU-GFCCVEGCSA-N -1 3 370.413 0.714 10 0 FCAEHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CCCCN2S(C)(=O)=O)c1 ZINC000562868623 491197715 /nfs/dbraw/zinc/19/77/15/491197715.db2.gz KVLHGYUMFXKNFW-CYBMUJFWSA-N -1 3 369.443 0.895 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1ccc(=O)n(C)c1 ZINC000194401217 488432752 /nfs/dbraw/zinc/43/27/52/488432752.db2.gz YWXMRYJABGYWCA-JTQLQIEISA-N -1 3 353.375 0.830 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCCn1ccnc1 ZINC000080302591 488435108 /nfs/dbraw/zinc/43/51/08/488435108.db2.gz CBRPYHSXGCXGCB-LBPRGKRZSA-N -1 3 354.407 0.896 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)NCCc2cc(F)ccc2F)c1 ZINC000088695414 488456482 /nfs/dbraw/zinc/45/64/82/488456482.db2.gz YWHCTPDLMKNFRC-UHFFFAOYSA-N -1 3 358.370 0.336 10 0 FCAEHM CC(=O)Nc1ncc(S(=O)(=O)[N-]CC2(O)Cc3ccccc3C2)s1 ZINC000238925356 488459099 /nfs/dbraw/zinc/45/90/99/488459099.db2.gz UPACJUSEXJKXIQ-UHFFFAOYSA-N -1 3 367.452 0.910 10 0 FCAEHM COCCCNC(=O)[C@H](C)N1CCN(Cc2nc(C)ccc2[O-])CC1 ZINC000093057009 488477610 /nfs/dbraw/zinc/47/76/10/488477610.db2.gz CSVQFENNFDMNTB-HNNXBMFYSA-N -1 3 350.463 0.754 10 0 FCAEHM C[C@@]1(c2cccc(C(=O)NCCCN3CCOC3=O)c2)NC(=O)[N-]C1=O ZINC000269191908 488477718 /nfs/dbraw/zinc/47/77/18/488477718.db2.gz FMGYBYHEWMVESQ-KRWDZBQOSA-N -1 3 360.370 0.313 10 0 FCAEHM COCCCS(=O)(=O)[N-]CC(=O)Nc1cc(OC)c(OC)cc1C ZINC000269273341 488485115 /nfs/dbraw/zinc/48/51/15/488485115.db2.gz KNYPSJCOUIOOMW-UHFFFAOYSA-N -1 3 360.432 0.907 10 0 FCAEHM C[C@H]1CN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)C[C@H](C)O1 ZINC000269330086 488492704 /nfs/dbraw/zinc/49/27/04/488492704.db2.gz HWYQHGYIMOZBEF-UWVGGRQHSA-N -1 3 366.436 0.995 10 0 FCAEHM COC(=O)c1cccc(NC2CCN(C(=O)CN3CC(=O)[N-]C3=O)CC2)c1 ZINC000269363742 488495859 /nfs/dbraw/zinc/49/58/59/488495859.db2.gz QHEGCIJYFZHCAY-UHFFFAOYSA-N -1 3 374.397 0.428 10 0 FCAEHM Cc1cc(N2CCC[C@@H]([N-]S(=O)(=O)N3CCC[C@H]3C)C2=O)n(C)n1 ZINC000248691748 488501267 /nfs/dbraw/zinc/50/12/67/488501267.db2.gz ISKOATFDALYLJT-CHWSQXEVSA-N -1 3 355.464 0.543 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000253553252 488521578 /nfs/dbraw/zinc/52/15/78/488521578.db2.gz RFQXHDBSXNOHRR-JMJZKYOTSA-N -1 3 372.219 0.785 10 0 FCAEHM CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)c1 ZINC000271637797 488534123 /nfs/dbraw/zinc/53/41/23/488534123.db2.gz ZJSDPIBKFOVFHS-SKDRFNHKSA-N -1 3 368.415 0.300 10 0 FCAEHM CS(=O)(=O)N[C@@H]1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000116892276 488549582 /nfs/dbraw/zinc/54/95/82/488549582.db2.gz WLQVXAMPPYRXDB-SNVBAGLBSA-N -1 3 362.411 0.793 10 0 FCAEHM COc1nnc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)[n-]1 ZINC000272430613 488580542 /nfs/dbraw/zinc/58/05/42/488580542.db2.gz HOJWTWPSBBZVOP-OAHLLOKOSA-N -1 3 362.321 0.358 10 0 FCAEHM COc1nc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)n[n-]1 ZINC000272430613 488580543 /nfs/dbraw/zinc/58/05/43/488580543.db2.gz HOJWTWPSBBZVOP-OAHLLOKOSA-N -1 3 362.321 0.358 10 0 FCAEHM COc1n[n-]c(NC(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)n1 ZINC000272430613 488580545 /nfs/dbraw/zinc/58/05/45/488580545.db2.gz HOJWTWPSBBZVOP-OAHLLOKOSA-N -1 3 362.321 0.358 10 0 FCAEHM CN(CC(=O)[O-])C[C@@H]1CN(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)CCO1 ZINC000262732177 488588593 /nfs/dbraw/zinc/58/85/93/488588593.db2.gz BDQAVGLKYWGKKI-UKRRQHHQSA-N -1 3 368.817 0.887 10 0 FCAEHM C[C@H]1CN(C(=O)c2cc(C3CC3)nc3c2c(=O)[n-]c(=O)n3C)CC(=O)N1C ZINC000554589376 491211250 /nfs/dbraw/zinc/21/12/50/491211250.db2.gz HWJKWSDTOKPVGM-VIFPVBQESA-N -1 3 371.397 0.214 10 0 FCAEHM Cc1cnc(CCN(C)C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)s1 ZINC000125631762 488603093 /nfs/dbraw/zinc/60/30/93/488603093.db2.gz POYJLOSJLPNQMX-UHFFFAOYSA-N -1 3 357.461 0.164 10 0 FCAEHM Cc1nn(C)c(C)c1CCNC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000125693573 488603665 /nfs/dbraw/zinc/60/36/65/488603665.db2.gz HSSUIHNWGZOBCO-UHFFFAOYSA-N -1 3 356.473 0.736 10 0 FCAEHM CCCn1c(=O)[n-]c(=O)c2c(C(=O)N(C)[C@@H](C)CO)cc(C3CC3)nc21 ZINC000126563068 488610131 /nfs/dbraw/zinc/61/01/31/488610131.db2.gz DPZITHWMILHAQO-JTQLQIEISA-N -1 3 360.414 0.825 10 0 FCAEHM Cc1noc(CCNC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)n1 ZINC000263648826 488615808 /nfs/dbraw/zinc/61/58/08/488615808.db2.gz CHRKLMVGDWYLBY-UHFFFAOYSA-N -1 3 359.386 0.794 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@H]1CCCN(c2ccccc2Cl)C1 ZINC000128397948 488624436 /nfs/dbraw/zinc/62/44/36/488624436.db2.gz BMZDVWGBXCSVNH-NSHDSACASA-N -1 3 350.806 0.977 10 0 FCAEHM O=S(=O)([N-]CC(F)(F)F)c1ccc(S(=O)(=O)N2CCCO2)cc1 ZINC000273412041 488649035 /nfs/dbraw/zinc/64/90/35/488649035.db2.gz IWXLXPYVMNRPGG-UHFFFAOYSA-N -1 3 374.362 0.853 10 0 FCAEHM Cn1ncc2c1ncc(C(=O)N[C@H]1CCCN(c3cccnn3)C1)c2[O-] ZINC000132730430 488654929 /nfs/dbraw/zinc/65/49/29/488654929.db2.gz UCWNRAABJXARBO-NSHDSACASA-N -1 3 353.386 0.863 10 0 FCAEHM CN(C(=O)Cn1[n-]c(=O)ccc1=O)C1CCN(CCc2ccccn2)CC1 ZINC000133507286 488660093 /nfs/dbraw/zinc/66/00/93/488660093.db2.gz ASSFNJNPPSFNMV-UHFFFAOYSA-N -1 3 371.441 0.097 10 0 FCAEHM Cc1cc(CS(=O)(=O)[N-][C@@H]2CCCN(Cc3ccccn3)C2=O)no1 ZINC000273639631 488664362 /nfs/dbraw/zinc/66/43/62/488664362.db2.gz XYXMSINUNNPRNO-OAHLLOKOSA-N -1 3 364.427 0.989 10 0 FCAEHM COc1ccc(CN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)[C@H](CO)C(C)C)cc1 ZINC000274090468 488683064 /nfs/dbraw/zinc/68/30/64/488683064.db2.gz XEBOQFLCCFKDJK-LSDHHAIUSA-N -1 3 363.414 0.639 10 0 FCAEHM CC(C)[C@@H]1C(=O)NCCN1C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000264562407 488685515 /nfs/dbraw/zinc/68/55/15/488685515.db2.gz OWIASQAGCBQTLR-SMDDNHRTSA-N -1 3 371.434 0.476 10 0 FCAEHM COc1cccc([C@@H](CNC(=O)CN2CC(=O)[N-]C2=O)N2CCCC2)c1 ZINC000264641457 488693611 /nfs/dbraw/zinc/69/36/11/488693611.db2.gz FGOLYGGELPSUDO-OAHLLOKOSA-N -1 3 360.414 0.500 10 0 FCAEHM CN1CCC[C@H]1CNC(=O)c1ccc2c(c1)S(=O)(=O)[N-]c1ncnn1-2 ZINC000264714956 488702159 /nfs/dbraw/zinc/70/21/59/488702159.db2.gz ZYTDLHRZCLMKED-NSHDSACASA-N -1 3 362.415 0.206 10 0 FCAEHM CN1CCN(CCCNC(=O)CN2CC(=O)[N-]C2=O)[C@H](c2ccccc2)C1 ZINC000264731754 488704473 /nfs/dbraw/zinc/70/44/73/488704473.db2.gz QLLFFDNTUYIXRL-INIZCTEOSA-N -1 3 373.457 0.033 10 0 FCAEHM CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)CN2CC(=O)[N-]C2=O)C1 ZINC000264745527 488706415 /nfs/dbraw/zinc/70/64/15/488706415.db2.gz HIGPHADBXYXSKZ-NSHDSACASA-N -1 3 354.407 0.302 10 0 FCAEHM CC(C)(C)OC(=O)N(CCCNC(=O)CN1CC(=O)[N-]C1=O)C1CC1 ZINC000264817495 488715873 /nfs/dbraw/zinc/71/58/73/488715873.db2.gz GYIZGXXRWBTJSV-UHFFFAOYSA-N -1 3 354.407 0.444 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCc1nccn1CCCc1ccccc1 ZINC000152535906 488718754 /nfs/dbraw/zinc/71/87/54/488718754.db2.gz XJBZYCCCVMFCBX-AWEZNQCLSA-N -1 3 355.398 0.730 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NCCc1ccc(OCC(F)(F)F)nc1 ZINC000274705887 488728579 /nfs/dbraw/zinc/72/85/79/488728579.db2.gz XNMAAQLYLXXGLJ-UHFFFAOYSA-N -1 3 360.292 0.233 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(CN2CCNC(=O)C2)c1)C1CC1 ZINC000563135069 491219200 /nfs/dbraw/zinc/21/92/00/491219200.db2.gz JXYLVIIVRDAASL-INIZCTEOSA-N -1 3 367.471 0.785 10 0 FCAEHM COc1ccc2c(c1)[n-]cc(C(=O)N1CCN(C(C)(C)C(N)=O)CC1)c2=O ZINC000267080600 488759363 /nfs/dbraw/zinc/75/93/63/488759363.db2.gz CFGBPEMYLYCKNZ-UHFFFAOYSA-N -1 3 372.425 0.971 10 0 FCAEHM Cc1cc(C[C@H](C)NC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)[nH]n1 ZINC000155836297 488759718 /nfs/dbraw/zinc/75/97/18/488759718.db2.gz IDXMIVMQTCJWSC-NSHDSACASA-N -1 3 355.398 0.859 10 0 FCAEHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H](C)Cn2cncn2)s1 ZINC000267156824 488765884 /nfs/dbraw/zinc/76/58/84/488765884.db2.gz DROSSCCTQSLLPM-QMMMGPOBSA-N -1 3 360.417 0.502 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCCC1CCN(CC(F)(F)F)CC1 ZINC000156793594 488767701 /nfs/dbraw/zinc/76/77/01/488767701.db2.gz PILNNTQWGSXEDC-JTQLQIEISA-N -1 3 350.341 0.365 10 0 FCAEHM COC(=O)[C@H]1CCCN(C(=O)c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)C1 ZINC000267370872 488781801 /nfs/dbraw/zinc/78/18/01/488781801.db2.gz XWFUNSSQTYYHGG-SGTLLEGYSA-N -1 3 359.382 0.766 10 0 FCAEHM C[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000277865471 488790551 /nfs/dbraw/zinc/79/05/51/488790551.db2.gz NGUYXRAVOSMMNF-SKDRFNHKSA-N -1 3 351.421 0.933 10 0 FCAEHM C[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000278034540 488797029 /nfs/dbraw/zinc/79/70/29/488797029.db2.gz XCVPGBFJZOLUDC-GXSJLCMTSA-N -1 3 362.835 0.907 10 0 FCAEHM C[C@H]1C[C@@H](N(C)S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCN1C ZINC000267593707 488801812 /nfs/dbraw/zinc/80/18/12/488801812.db2.gz BGWBTHUDBHZBTE-UWVGGRQHSA-N -1 3 367.431 0.539 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](O)c2ccccc2OC)c(C)o1 ZINC000267646322 488809306 /nfs/dbraw/zinc/80/93/06/488809306.db2.gz ZVZOIIUSFCAHGE-ZDUSSCGKSA-N -1 3 368.411 0.968 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](c3cnn(C)c3)C2)c(C)o1 ZINC000176091672 488857395 /nfs/dbraw/zinc/85/73/95/488857395.db2.gz TYQKVKVGOYLOSM-LLVKDONJSA-N -1 3 352.416 0.859 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NCCC1CCN(CC(F)(F)F)CC1 ZINC000176966892 488859088 /nfs/dbraw/zinc/85/90/88/488859088.db2.gz RRWWVNCWKMZDFD-UHFFFAOYSA-N -1 3 350.341 0.319 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)NCc1ccc(CO)c(F)c1 ZINC000178309389 488860304 /nfs/dbraw/zinc/86/03/04/488860304.db2.gz BSWXWMGVCUNWNW-UHFFFAOYSA-N -1 3 358.416 0.974 10 0 FCAEHM CC(C)(C)OC(=O)CSCC(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000364601157 488977098 /nfs/dbraw/zinc/97/70/98/488977098.db2.gz OLCHQKUFVIMCIW-HNNXBMFYSA-N -1 3 357.432 0.262 10 0 FCAEHM Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@]3(C1)NC(=O)[N-]C3=O)OCO2 ZINC000280143757 488986582 /nfs/dbraw/zinc/98/65/82/488986582.db2.gz BZOGPOLRFIKOSZ-HNNXBMFYSA-N -1 3 367.383 0.086 10 0 FCAEHM Cc1cccc2c1OCC[C@H]2NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000364978194 489025247 /nfs/dbraw/zinc/02/52/47/489025247.db2.gz WXJZIWIMBXDXRU-CYBMUJFWSA-N -1 3 364.427 0.647 10 0 FCAEHM Cc1cc(N2CCC[C@H]([N-]S(=O)(=O)[C@@H]3CCO[C@H](C)C3)C2=O)n(C)n1 ZINC000288976339 489033591 /nfs/dbraw/zinc/03/35/91/489033591.db2.gz AZYFMEZSMXBPEK-MCIONIFRSA-N -1 3 370.475 0.711 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)nc1=N ZINC000554853353 491229321 /nfs/dbraw/zinc/22/93/21/491229321.db2.gz TURPOLVHYZNJMF-GFCCVEGCSA-N -1 3 369.385 0.007 10 0 FCAEHM Cc1ncc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(F)C2)cn1 ZINC000656375440 492616011 /nfs/dbraw/zinc/61/60/11/492616011.db2.gz NWGKVGFBSUHWTO-UHFFFAOYSA-N -1 3 366.440 0.290 10 0 FCAEHM CC(=O)N(CCc1ccccc1)CC(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000365117183 489040828 /nfs/dbraw/zinc/04/08/28/489040828.db2.gz BUQDIRLFRUVFJB-LJQANCHMSA-N -1 3 372.425 0.278 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000365150781 489043646 /nfs/dbraw/zinc/04/36/46/489043646.db2.gz NCMDDSMSOYOSQG-UHFFFAOYSA-N -1 3 364.833 0.926 10 0 FCAEHM COC(=O)c1cccc(NC(=O)CN2CCC(c3nc(=O)[n-][nH]3)CC2)c1 ZINC000280982324 489045078 /nfs/dbraw/zinc/04/50/78/489045078.db2.gz LGRUOKIQMKRBHB-UHFFFAOYSA-N -1 3 359.386 0.703 10 0 FCAEHM COCC[C@H](CO)[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000281124674 489055077 /nfs/dbraw/zinc/05/50/77/489055077.db2.gz ASNZQINTLJDLCQ-SNVBAGLBSA-N -1 3 351.808 0.802 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@@]1(C)CCS(=O)(=O)C1 ZINC000289594712 489079882 /nfs/dbraw/zinc/07/98/82/489079882.db2.gz WCVLCUIUBTWHRX-ZDUSSCGKSA-N -1 3 365.429 0.539 10 0 FCAEHM CN(C)c1noc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])n1 ZINC000365560933 489087799 /nfs/dbraw/zinc/08/77/99/489087799.db2.gz CTUVEJTZCVMSBF-LBPRGKRZSA-N -1 3 359.386 0.762 10 0 FCAEHM Cc1nn(C)c(C)c1[C@H]1[C@H]([N-]S(=O)(=O)c2cn(C)cn2)CC(=O)N1C ZINC000330308420 489089547 /nfs/dbraw/zinc/08/95/47/489089547.db2.gz SSWPYILRIBUKFQ-IAQYHMDHSA-N -1 3 366.447 0.021 10 0 FCAEHM Cc1ccc(C(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)c([O-])c1C ZINC000365687611 489100245 /nfs/dbraw/zinc/10/02/45/489100245.db2.gz GSFNSGXQQPZPHA-UHFFFAOYSA-N -1 3 355.460 0.963 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000290089909 489113632 /nfs/dbraw/zinc/11/36/32/489113632.db2.gz PLSFPFSVYRSQRQ-LLVKDONJSA-N -1 3 371.337 0.095 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)COCCNC(=O)c2ccccc2)nc1=N ZINC000563269660 491234224 /nfs/dbraw/zinc/23/42/24/491234224.db2.gz NSAYXOPXRUZIFQ-AWEZNQCLSA-N -1 3 372.429 0.338 10 0 FCAEHM CNS(=O)(=O)NC1CCN(C(=O)c2ccc3c(c2[O-])CCCC3)CC1 ZINC000563268830 491234266 /nfs/dbraw/zinc/23/42/66/491234266.db2.gz RFMSHWDHGSLVGU-UHFFFAOYSA-N -1 3 367.471 0.929 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)N1CCN(CC(F)F)CC1 ZINC000290266576 489126069 /nfs/dbraw/zinc/12/60/69/489126069.db2.gz VSZZJFVDIZJDAR-UHFFFAOYSA-N -1 3 365.377 0.513 10 0 FCAEHM CS(=O)(=O)c1cccnc1C[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000365955007 489129466 /nfs/dbraw/zinc/12/94/66/489129466.db2.gz MDYLKBXFDJWZKG-UHFFFAOYSA-N -1 3 370.456 0.496 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(C)CCOCCO ZINC000282094182 489133106 /nfs/dbraw/zinc/13/31/06/489133106.db2.gz GUHZCSXMYLAUCK-UHFFFAOYSA-N -1 3 358.416 0.639 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H]1C(=O)NCC[C@@H]1C ZINC000282200670 489144734 /nfs/dbraw/zinc/14/47/34/489144734.db2.gz OQHXIKLSJVEEOD-KWBADKCTSA-N -1 3 357.407 0.133 10 0 FCAEHM O=C(CN1CCC[C@]2(C1)NC(=O)[N-]C2=O)Nc1ccc2c(c1)OCCO2 ZINC000366110816 489146414 /nfs/dbraw/zinc/14/64/14/489146414.db2.gz WNMDIEAMWBWYOD-QGZVFWFLSA-N -1 3 360.370 0.070 10 0 FCAEHM O=C(c1ccc(OCC(F)(F)F)nc1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000366142543 489150175 /nfs/dbraw/zinc/15/01/75/489150175.db2.gz JGTXPNDGPJJDFH-AWEZNQCLSA-N -1 3 372.303 0.837 10 0 FCAEHM CCCN(CCC)C(=O)CCC(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000366164345 489153408 /nfs/dbraw/zinc/15/34/08/489153408.db2.gz RUSAAOWEAOMKDM-QGZVFWFLSA-N -1 3 352.435 0.616 10 0 FCAEHM CN(C)c1nc(C(=O)N2CSC[C@H]2C(=O)NC(C)(C)C)cc(=O)[n-]1 ZINC000330910138 489156426 /nfs/dbraw/zinc/15/64/26/489156426.db2.gz GQDMSXAQIODASM-JTQLQIEISA-N -1 3 353.448 0.678 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](C(=O)OC(C)(C)C)C2)cn1 ZINC000330990290 489163274 /nfs/dbraw/zinc/16/32/74/489163274.db2.gz HDBMCSBCEGWFQL-LBPRGKRZSA-N -1 3 369.443 0.794 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@@H](C)CN1CCN(C)CC1 ZINC000290873527 489170712 /nfs/dbraw/zinc/17/07/12/489170712.db2.gz YFRZGDVYBSOWTK-NSHDSACASA-N -1 3 373.475 0.597 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NC[C@@H](O)c1cccc(Br)c1 ZINC000282984039 489203597 /nfs/dbraw/zinc/20/35/97/489203597.db2.gz DYKNSQJTMQWOHU-VHSXEESVSA-N -1 3 356.176 0.197 10 0 FCAEHM O=C(CN1CCc2ccccc2C1=O)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000297661752 489220370 /nfs/dbraw/zinc/22/03/70/489220370.db2.gz GCWISKCOCSUASB-UHFFFAOYSA-N -1 3 354.370 0.334 10 0 FCAEHM O=C(CN1CCc2ccccc2C1=O)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000297661752 489220373 /nfs/dbraw/zinc/22/03/73/489220373.db2.gz GCWISKCOCSUASB-UHFFFAOYSA-N -1 3 354.370 0.334 10 0 FCAEHM O=C(CN1CCc2ccccc2C1=O)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000297661752 489220375 /nfs/dbraw/zinc/22/03/75/489220375.db2.gz GCWISKCOCSUASB-UHFFFAOYSA-N -1 3 354.370 0.334 10 0 FCAEHM CNC(=O)c1nn[n-]c1NC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000297727862 489231657 /nfs/dbraw/zinc/23/16/57/489231657.db2.gz MAKUQSRDZKYSTO-SECBINFHSA-N -1 3 352.395 0.750 10 0 FCAEHM CNC(=O)c1[n-]nnc1NC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000297727862 489231659 /nfs/dbraw/zinc/23/16/59/489231659.db2.gz MAKUQSRDZKYSTO-SECBINFHSA-N -1 3 352.395 0.750 10 0 FCAEHM CNC(=O)c1n[n-]nc1NC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000297727862 489231661 /nfs/dbraw/zinc/23/16/61/489231661.db2.gz MAKUQSRDZKYSTO-SECBINFHSA-N -1 3 352.395 0.750 10 0 FCAEHM O=C(NC1CC1)c1nn[n-]c1NC(=O)c1ccnc(OCC(F)F)c1 ZINC000297774331 489239060 /nfs/dbraw/zinc/23/90/60/489239060.db2.gz PZGGNXCNQUBRBP-UHFFFAOYSA-N -1 3 352.301 0.988 10 0 FCAEHM O=C(NC1CC1)c1[n-]nnc1NC(=O)c1ccnc(OCC(F)F)c1 ZINC000297774331 489239063 /nfs/dbraw/zinc/23/90/63/489239063.db2.gz PZGGNXCNQUBRBP-UHFFFAOYSA-N -1 3 352.301 0.988 10 0 FCAEHM O=C(NC1CC1)c1n[n-]nc1NC(=O)c1ccnc(OCC(F)F)c1 ZINC000297774331 489239066 /nfs/dbraw/zinc/23/90/66/489239066.db2.gz PZGGNXCNQUBRBP-UHFFFAOYSA-N -1 3 352.301 0.988 10 0 FCAEHM O=C(CCCNC(=O)c1ccc(F)cc1)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000297795698 489241743 /nfs/dbraw/zinc/24/17/43/489241743.db2.gz RVRADXSSOCOWJA-UHFFFAOYSA-N -1 3 374.376 0.985 10 0 FCAEHM O=C(CCCNC(=O)c1ccc(F)cc1)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000297795698 489241746 /nfs/dbraw/zinc/24/17/46/489241746.db2.gz RVRADXSSOCOWJA-UHFFFAOYSA-N -1 3 374.376 0.985 10 0 FCAEHM O=C(CCCNC(=O)c1ccc(F)cc1)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000297795698 489241748 /nfs/dbraw/zinc/24/17/48/489241748.db2.gz RVRADXSSOCOWJA-UHFFFAOYSA-N -1 3 374.376 0.985 10 0 FCAEHM O=C(NC1CC1)c1nn[n-]c1NC(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000297833492 489248313 /nfs/dbraw/zinc/24/83/13/489248313.db2.gz VXLOSHCNZOZDEY-UHFFFAOYSA-N -1 3 358.383 0.993 10 0 FCAEHM O=C(NC1CC1)c1[n-]nnc1NC(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000297833492 489248315 /nfs/dbraw/zinc/24/83/15/489248315.db2.gz VXLOSHCNZOZDEY-UHFFFAOYSA-N -1 3 358.383 0.993 10 0 FCAEHM O=C(NC1CC1)c1n[n-]nc1NC(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000297833492 489248318 /nfs/dbraw/zinc/24/83/18/489248318.db2.gz VXLOSHCNZOZDEY-UHFFFAOYSA-N -1 3 358.383 0.993 10 0 FCAEHM C[C@H]1Oc2ccccc2N(CC(=O)Nc2[n-]nnc2C(=O)NC2CC2)C1=O ZINC000297843833 489250645 /nfs/dbraw/zinc/25/06/45/489250645.db2.gz WUOIGHZHIJVCLW-SECBINFHSA-N -1 3 370.369 0.450 10 0 FCAEHM C[C@H]1Oc2ccccc2N(CC(=O)Nc2nn[n-]c2C(=O)NC2CC2)C1=O ZINC000297843833 489250647 /nfs/dbraw/zinc/25/06/47/489250647.db2.gz WUOIGHZHIJVCLW-SECBINFHSA-N -1 3 370.369 0.450 10 0 FCAEHM C[C@H]1Oc2ccccc2N(CC(=O)Nc2n[n-]nc2C(=O)NC2CC2)C1=O ZINC000297843833 489250650 /nfs/dbraw/zinc/25/06/50/489250650.db2.gz WUOIGHZHIJVCLW-SECBINFHSA-N -1 3 370.369 0.450 10 0 FCAEHM CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000563397916 491242231 /nfs/dbraw/zinc/24/22/31/491242231.db2.gz MQYDBHQMGHGHEB-NSHDSACASA-N -1 3 354.432 0.556 10 0 FCAEHM Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000555294026 491245038 /nfs/dbraw/zinc/24/50/38/491245038.db2.gz KSYZOMSHBHAZEI-GWCFXTLKSA-N -1 3 362.434 0.953 10 0 FCAEHM Cc1n[nH]cc1[N-]S(=O)(=O)CCCS(=O)(=O)N1C[C@@H](C)[C@H]1C ZINC000349486485 489297966 /nfs/dbraw/zinc/29/79/66/489297966.db2.gz VSJRICXEQTYDNE-MWLCHTKSSA-N -1 3 350.466 0.520 10 0 FCAEHM CCN1CCN(c2ccccc2NC(=O)CC[C@@H]2NC(=O)[N-]C2=O)CC1 ZINC000298153299 489298286 /nfs/dbraw/zinc/29/82/86/489298286.db2.gz YIGIZWFPCLFYIG-AWEZNQCLSA-N -1 3 359.430 0.755 10 0 FCAEHM Cc1ncc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2C[C@H]3C[C@H]3C2)cn1 ZINC000349537475 489310817 /nfs/dbraw/zinc/31/08/17/489310817.db2.gz DSLHMENZSBHBBB-CLLJXQQHSA-N -1 3 374.488 0.635 10 0 FCAEHM O=S(=O)(CCCS(=O)(=O)N[C@H]1[C@@H]2CCC[C@@H]21)[N-]c1ccnnc1 ZINC000349541134 489311857 /nfs/dbraw/zinc/31/18/57/489311857.db2.gz KMGZPWGBQIQTAQ-ITGUQSILSA-N -1 3 360.461 0.326 10 0 FCAEHM Cc1n[nH]c(C)c1[N-]S(=O)(=O)CCCS(=O)(=O)NC1CC(C)C1 ZINC000349550116 489313024 /nfs/dbraw/zinc/31/30/24/489313024.db2.gz HVORRQXMBKSJRS-UHFFFAOYSA-N -1 3 364.493 0.876 10 0 FCAEHM CC[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1c(C)n[nH]c1C ZINC000349575161 489319689 /nfs/dbraw/zinc/31/96/89/489319689.db2.gz OAOKLAZAXNWJLM-SECBINFHSA-N -1 3 352.482 0.876 10 0 FCAEHM COC(=O)c1c(C)[nH]c(C(=O)CN2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1C ZINC000298384600 489321251 /nfs/dbraw/zinc/32/12/51/489321251.db2.gz DKXCFYCAUXHJMO-QGZVFWFLSA-N -1 3 362.386 0.275 10 0 FCAEHM O=C(CC[C@@H]1NC(=O)[N-]C1=O)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000370189692 489325998 /nfs/dbraw/zinc/32/59/98/489325998.db2.gz AWTIGKHQXRKTLU-KBPBESRZSA-N -1 3 353.419 0.551 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2cn[nH]c2)[C@@H]1C ZINC000349605220 489326297 /nfs/dbraw/zinc/32/62/97/489326297.db2.gz GOAMOYLGSHIQEP-GHMZBOCLSA-N -1 3 350.466 0.602 10 0 FCAEHM C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1ccnnc1)C(C)(C)C ZINC000349621503 489329617 /nfs/dbraw/zinc/32/96/17/489329617.db2.gz TZUDVOPJUJMGMH-LLVKDONJSA-N -1 3 364.493 0.962 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCO[C@@H]2CCN(C)C[C@@H]21 ZINC000285898829 489331740 /nfs/dbraw/zinc/33/17/40/489331740.db2.gz SQKFQDXTMIQBLR-RWMBFGLXSA-N -1 3 373.500 0.346 10 0 FCAEHM CN(CC(C)(CO)CO)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000370368347 489350456 /nfs/dbraw/zinc/35/04/56/489350456.db2.gz ZZPINZAMQBUSTP-CQSZACIVSA-N -1 3 350.415 0.446 10 0 FCAEHM C[C@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CCN1CCO ZINC000370399446 489354692 /nfs/dbraw/zinc/35/46/92/489354692.db2.gz KRESPCNGMBCHOY-GOEBONIOSA-N -1 3 361.442 0.522 10 0 FCAEHM CN1CC[C@@H](c2nc(-c3ccc([N-]S(C)(=O)=O)cc3)no2)S1(=O)=O ZINC000351324854 489354868 /nfs/dbraw/zinc/35/48/68/489354868.db2.gz SQLFQLXDZNTPQZ-NSHDSACASA-N -1 3 372.428 0.815 10 0 FCAEHM CC[C@H](NC(=O)CN1CC(=O)[N-]C1=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000370480855 489364882 /nfs/dbraw/zinc/36/48/82/489364882.db2.gz URAVATICKDGQRT-JKSUJKDBSA-N -1 3 374.441 0.334 10 0 FCAEHM COC(=O)[C@@H](CF)[N-]S(=O)(=O)c1c(OC)cc(OC)cc1OC ZINC000286494754 489397097 /nfs/dbraw/zinc/39/70/97/489397097.db2.gz AKYSZCVESRQZHX-SECBINFHSA-N -1 3 351.352 0.502 10 0 FCAEHM CC[C@@H](C)NC(=O)CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000299036941 489398037 /nfs/dbraw/zinc/39/80/37/489398037.db2.gz XMYQKXIRYCWTAX-NEPJUHHUSA-N -1 3 373.450 0.914 10 0 FCAEHM C[C@@H](CS(C)(=O)=O)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000362984612 489409450 /nfs/dbraw/zinc/40/94/50/489409450.db2.gz SQOVRYCXRNPBKS-WCQYABFASA-N -1 3 354.428 0.546 10 0 FCAEHM COc1cccc(C(=O)NCC(=O)N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)c1 ZINC000555541698 491253507 /nfs/dbraw/zinc/25/35/07/491253507.db2.gz SGTYMKWPQLZJLP-CYBMUJFWSA-N -1 3 358.402 0.330 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2CC(F)F)c(C)o1 ZINC000286673954 489416643 /nfs/dbraw/zinc/41/66/43/489416643.db2.gz IDTLQFUMNJEFMV-VIFPVBQESA-N -1 3 352.359 0.992 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCOC[C@H]2CC(F)F)c(C)o1 ZINC000286673951 489416661 /nfs/dbraw/zinc/41/66/61/489416661.db2.gz IDTLQFUMNJEFMV-SECBINFHSA-N -1 3 352.359 0.992 10 0 FCAEHM O=C(CN1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1)NC1CC1 ZINC000299458912 489444331 /nfs/dbraw/zinc/44/43/31/489444331.db2.gz YJVNQQRUMQRHMY-UHFFFAOYSA-N -1 3 354.410 0.977 10 0 FCAEHM C[C@@H](Cn1cncn1)NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000299599470 489460881 /nfs/dbraw/zinc/46/08/81/489460881.db2.gz FROUARSXJHYJLA-ZDUSSCGKSA-N -1 3 358.402 0.540 10 0 FCAEHM COCC1(O)CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000371187861 489464207 /nfs/dbraw/zinc/46/42/07/489464207.db2.gz HHRPOXINQCOUIE-HNNXBMFYSA-N -1 3 362.426 0.997 10 0 FCAEHM CC[C@](C)(NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F)C(=O)OC ZINC000299652589 489467910 /nfs/dbraw/zinc/46/79/10/489467910.db2.gz FYWOEYIXSBQCAA-BONVTDFDSA-N -1 3 360.407 0.950 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)N[C@@H]1CCc2nc[nH]c2C1 ZINC000371309240 489476106 /nfs/dbraw/zinc/47/61/06/489476106.db2.gz WQTDDCFEUDQMJH-SNVBAGLBSA-N -1 3 354.457 0.813 10 0 FCAEHM O=C(NCCN1C(=O)CCC1=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000371679342 489497454 /nfs/dbraw/zinc/49/74/54/489497454.db2.gz MOAQQTKNKXYXHO-ZDUSSCGKSA-N -1 3 359.382 0.262 10 0 FCAEHM CCOc1ccncc1S(=O)(=O)[N-]C[C@](C)(O)C(=O)OC(C)(C)C ZINC000451395320 489502746 /nfs/dbraw/zinc/50/27/46/489502746.db2.gz VTJXAMRWLNOOEA-HNNXBMFYSA-N -1 3 360.432 0.851 10 0 FCAEHM COC(=O)CCCS(=O)(=O)[N-][C@H]1CCCN(c2cccnc2)C1=O ZINC000371747656 489505669 /nfs/dbraw/zinc/50/56/69/489505669.db2.gz SHDKZMFQBZEDRS-ZDUSSCGKSA-N -1 3 355.416 0.450 10 0 FCAEHM CCOC(=O)[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cnccc1OCC ZINC000451470549 489506081 /nfs/dbraw/zinc/50/60/81/489506081.db2.gz GPLRSBVZWHCASZ-QWRGUYRKSA-N -1 3 373.431 0.215 10 0 FCAEHM COC[C@@](C)(O)CC[N-]S(=O)(=O)c1c(C)csc1C(=O)OC ZINC000451658520 489514675 /nfs/dbraw/zinc/51/46/75/489514675.db2.gz YACTYZBAFMQPTO-ZDUSSCGKSA-N -1 3 351.446 0.909 10 0 FCAEHM COC[C@](C)(O)CC[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000451662562 489515271 /nfs/dbraw/zinc/51/52/71/489515271.db2.gz VUWAQWCTDLECKM-OAHLLOKOSA-N -1 3 360.407 0.776 10 0 FCAEHM COC(=O)c1csc(S(=O)(=O)[N-]C[C@@H]2CCCCN2CCO)c1 ZINC000451671660 489516536 /nfs/dbraw/zinc/51/65/36/489516536.db2.gz QOEKRRDCVXTBTI-LBPRGKRZSA-N -1 3 362.473 0.660 10 0 FCAEHM CC[C@@H]([N-]S(=O)(=O)C1CN(C(=O)c2ccccc2)C1)[C@@H](O)C(F)F ZINC000451718375 489519714 /nfs/dbraw/zinc/51/97/14/489519714.db2.gz URPAYOVDTWYGQR-CHWSQXEVSA-N -1 3 362.398 0.835 10 0 FCAEHM COC(=O)[C@@H](C)CS(=O)(=O)[N-]Cc1nn(C)cc1Br ZINC000451832557 489525762 /nfs/dbraw/zinc/52/57/62/489525762.db2.gz YBFCMMGQOMNPKD-ZETCQYMHSA-N -1 3 354.226 0.411 10 0 FCAEHM CCCc1ncc(C[N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)o1 ZINC000451956279 489534054 /nfs/dbraw/zinc/53/40/54/489534054.db2.gz GXTDGKMJTJCJOY-UHFFFAOYSA-N -1 3 359.429 0.753 10 0 FCAEHM CCc1ncc(C[N-]S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)o1 ZINC000451962988 489534724 /nfs/dbraw/zinc/53/47/24/489534724.db2.gz XXWPPYQNCKHXON-UHFFFAOYSA-N -1 3 373.456 0.966 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H]1CCCc2c1cnn2CCO ZINC000372144418 489551025 /nfs/dbraw/zinc/55/10/25/489551025.db2.gz QCDUCUMHHGLMJL-NSHDSACASA-N -1 3 373.866 0.927 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NC2(CO)Cc3ccccc3C2)c(C)o1 ZINC000372429766 489583794 /nfs/dbraw/zinc/58/37/94/489583794.db2.gz XTXSCFYISUDCGM-UHFFFAOYSA-N -1 3 364.423 0.756 10 0 FCAEHM CCOCCOC[C@H](O)C[N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C ZINC000416471623 489597534 /nfs/dbraw/zinc/59/75/34/489597534.db2.gz QNVZABZYLOLHHO-QWHCGFSZSA-N -1 3 361.464 0.473 10 0 FCAEHM COc1cc(C)cc(NC(=O)C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)c1C ZINC000427226058 489598693 /nfs/dbraw/zinc/59/86/93/489598693.db2.gz HLZBGTDWSQPWOV-GFCCVEGCSA-N -1 3 360.370 0.013 10 0 FCAEHM C[C@H]1CCCc2nc(S(=O)(=O)[N-][C@@H]3CCCN(CCCO)C3)cn21 ZINC000416489245 489600684 /nfs/dbraw/zinc/60/06/84/489600684.db2.gz PWLZZROLTMJOBB-UONOGXRCSA-N -1 3 356.492 0.906 10 0 FCAEHM CC[C@@H]([N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F)[C@H](O)C(F)F ZINC000416498362 489601500 /nfs/dbraw/zinc/60/15/00/489601500.db2.gz VCOQFQOLHAAJNX-LDWIPMOCSA-N -1 3 354.306 0.943 10 0 FCAEHM O=S(=O)([N-]C[C@@H](O)Cn1ccnn1)c1ccc(Cl)c(Cl)c1 ZINC000416550964 489608767 /nfs/dbraw/zinc/60/87/67/489608767.db2.gz AEDXJBBPLAACIE-MRVPVSSYSA-N -1 3 351.215 0.924 10 0 FCAEHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1C[C@@H](O)[C@H](CO)C1 ZINC000458046006 489667377 /nfs/dbraw/zinc/66/73/77/489667377.db2.gz WGKMTSBSRLZRDQ-ISVAXAHUSA-N -1 3 367.199 0.716 10 0 FCAEHM C[C@@]1(c2ccc(CNC(=O)NC[C@@H]3CCC[C@H]3O)cc2)NC(=O)[N-]C1=O ZINC000458196084 489673499 /nfs/dbraw/zinc/67/34/99/489673499.db2.gz IEVNKKMUTXHEKL-WRSAYESZSA-N -1 3 360.414 0.701 10 0 FCAEHM COc1cc(OC)c(CNC(=O)C(=O)[N-]c2cnns2)c(OC)c1 ZINC000429697175 489697429 /nfs/dbraw/zinc/69/74/29/489697429.db2.gz LBIQTHJVECJKBB-UHFFFAOYSA-N -1 3 352.372 0.819 10 0 FCAEHM NC(=O)c1coc(CNC(=O)CC[N-]S(=O)(=O)c2ccccc2F)c1 ZINC000490543703 489773069 /nfs/dbraw/zinc/77/30/69/489773069.db2.gz GBAPSCOOZNUPRR-UHFFFAOYSA-N -1 3 369.374 0.502 10 0 FCAEHM Cc1nc(-c2cccc(NC(=O)N3CCN4C(=O)[N-]C(=O)[C@@H]4C3)c2)no1 ZINC000490544239 489773089 /nfs/dbraw/zinc/77/30/89/489773089.db2.gz LWVGUYCQFMOAPY-LBPRGKRZSA-N -1 3 356.342 0.813 10 0 FCAEHM COc1nnc(NC(=O)c2cn([C@@H]3CCS(=O)(=O)C3)nc2C(C)C)[n-]1 ZINC000490660575 489779160 /nfs/dbraw/zinc/77/91/60/489779160.db2.gz MKOWZTCQEXMZNY-SECBINFHSA-N -1 3 368.419 0.745 10 0 FCAEHM COc1nc(NC(=O)c2cn([C@@H]3CCS(=O)(=O)C3)nc2C(C)C)n[n-]1 ZINC000490660575 489779164 /nfs/dbraw/zinc/77/91/64/489779164.db2.gz MKOWZTCQEXMZNY-SECBINFHSA-N -1 3 368.419 0.745 10 0 FCAEHM COc1n[n-]c(NC(=O)c2cn([C@@H]3CCS(=O)(=O)C3)nc2C(C)C)n1 ZINC000490660575 489779168 /nfs/dbraw/zinc/77/91/68/489779168.db2.gz MKOWZTCQEXMZNY-SECBINFHSA-N -1 3 368.419 0.745 10 0 FCAEHM COc1nn(C)cc1NC(=O)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1 ZINC000474699256 489781014 /nfs/dbraw/zinc/78/10/14/489781014.db2.gz WIQLLWMLCQYQPL-LLVKDONJSA-N -1 3 358.358 0.823 10 0 FCAEHM O=C(CCC(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1)c1ccc(F)c(F)c1 ZINC000490901138 489788368 /nfs/dbraw/zinc/78/83/68/489788368.db2.gz HGEMXTOHMRCOOY-LBPRGKRZSA-N -1 3 351.309 0.690 10 0 FCAEHM O=C1[C@@H]([N-]S(=O)(=O)c2cncc(Cl)c2)CCN1C1CCOCC1 ZINC000376791475 489797366 /nfs/dbraw/zinc/79/73/66/489797366.db2.gz AYZFPZPIZFCHAO-ZDUSSCGKSA-N -1 3 359.835 0.793 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NC[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000491855270 489812231 /nfs/dbraw/zinc/81/22/31/489812231.db2.gz SPRJAHITNJOAPY-SKDRFNHKSA-N -1 3 373.331 0.571 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1C[C@H](CO)OC[C@H]1C ZINC000492353850 489825614 /nfs/dbraw/zinc/82/56/14/489825614.db2.gz JVROGZNQMUODCZ-GRYCIOLGSA-N -1 3 360.407 0.101 10 0 FCAEHM CC(C)[C@@](C)(CO)NC(=O)NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000460354196 489864708 /nfs/dbraw/zinc/86/47/08/489864708.db2.gz SRUFSVMJXBSUOZ-MSOLQXFVSA-N -1 3 362.430 0.947 10 0 FCAEHM C[C@H](CCNC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)[S@@](C)=O ZINC000493947042 489864787 /nfs/dbraw/zinc/86/47/87/489864787.db2.gz QWBXTMQSWBITBJ-DWBJOHEJSA-N -1 3 351.428 0.628 10 0 FCAEHM COCc1ccccc1S(=O)(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000433447328 489884282 /nfs/dbraw/zinc/88/42/82/489884282.db2.gz MSOOXZLNWOOHIC-HNNXBMFYSA-N -1 3 353.400 0.196 10 0 FCAEHM COC[C@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)[C@H]1CCCO1 ZINC000433450082 489884533 /nfs/dbraw/zinc/88/45/33/489884533.db2.gz KUXCWNCHSSOMMP-NWDGAFQWSA-N -1 3 363.457 0.562 10 0 FCAEHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]Cc1cc(C(N)=O)co1 ZINC000494355565 489886510 /nfs/dbraw/zinc/88/65/10/489886510.db2.gz FSAPEOIQSHXESM-UHFFFAOYSA-N -1 3 356.331 0.783 10 0 FCAEHM COCCCCS(=O)(=O)[N-][C@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000476435701 489887581 /nfs/dbraw/zinc/88/75/81/489887581.db2.gz ZNEMJCNEZJLVIH-JTQLQIEISA-N -1 3 358.424 0.898 10 0 FCAEHM COC(=O)C[C@@](C)(NC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1cccc(F)c1 ZINC000476772681 489915116 /nfs/dbraw/zinc/91/51/16/489915116.db2.gz XMCAAXGGBVLNDU-MEDUHNTESA-N -1 3 351.334 0.318 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)c3cc4c(cn3)nc[nH]c4=O)cc2n(C)c1=O ZINC000461628905 489924099 /nfs/dbraw/zinc/92/40/99/489924099.db2.gz DTKAKPPNRSGCLH-UHFFFAOYSA-N -1 3 366.337 0.879 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)NC[C@H](CO)C1CC1 ZINC000461630594 489924124 /nfs/dbraw/zinc/92/41/24/489924124.db2.gz YRMYMTFQILNPPO-SECBINFHSA-N -1 3 352.865 0.815 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-][C@@H](C)C2(S(C)(=O)=O)CC2)CCC1 ZINC000462075029 489955851 /nfs/dbraw/zinc/95/58/51/489955851.db2.gz PRSNPBRYBURYOE-JTQLQIEISA-N -1 3 353.462 0.215 10 0 FCAEHM CNC(=O)c1cccc(NC(=O)[C@@H](C)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000434799981 489957716 /nfs/dbraw/zinc/95/77/16/489957716.db2.gz YKCBWJUIRSCINA-ADLMAVQZSA-N -1 3 373.413 0.047 10 0 FCAEHM CC(C)Oc1cccc(CNC(=O)CN2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000434797954 489957763 /nfs/dbraw/zinc/95/77/63/489957763.db2.gz VGESZBBCIVSCOJ-IBGZPJMESA-N -1 3 374.441 0.764 10 0 FCAEHM COc1ccccc1[C@@H](C)N(C)C(=O)CN1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000434799703 489958081 /nfs/dbraw/zinc/95/80/81/489958081.db2.gz VMFWNHVLKBCMPZ-YJYMSZOUSA-N -1 3 374.441 0.889 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@@H]1CCCN(c2ccn(C)n2)C1=O)C1CC1 ZINC000571203123 491292546 /nfs/dbraw/zinc/29/25/46/491292546.db2.gz QENBEYRLPLIZDO-CHWSQXEVSA-N -1 3 356.448 0.260 10 0 FCAEHM CC(=O)N1CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2c(C)noc2C)[C@@H](C)C1 ZINC000477986962 489999260 /nfs/dbraw/zinc/99/92/60/489999260.db2.gz IOVCBBXRMGWICN-ONGXEEELSA-N -1 3 372.447 0.037 10 0 FCAEHM CNC(=O)c1cccc(OCC(=O)NCCNC(=O)c2ccc([O-])cc2)c1 ZINC000436836093 490014166 /nfs/dbraw/zinc/01/41/66/490014166.db2.gz CAMDQWURYPNMRJ-UHFFFAOYSA-N -1 3 371.393 0.677 10 0 FCAEHM C[C@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)[C@H]1COc2ccccc21 ZINC000378283629 490039403 /nfs/dbraw/zinc/03/94/03/490039403.db2.gz ZWBKZFVLNDXVFG-WCQYABFASA-N -1 3 364.427 0.379 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NC[C@@](C)(O)CO)cc1OC ZINC000478907847 490053136 /nfs/dbraw/zinc/05/31/36/490053136.db2.gz MZRRYHKVVHJKNU-CQSZACIVSA-N -1 3 361.420 0.322 10 0 FCAEHM COC(=O)c1ccc([C@@H](NC(=O)CN2CC(=O)[N-]C2=O)C(F)(F)F)cc1 ZINC000479141849 490068779 /nfs/dbraw/zinc/06/87/79/490068779.db2.gz HNLMPFYWECKMKV-GFCCVEGCSA-N -1 3 373.287 0.745 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(C[C@@H](O)CO)C(C)C ZINC000421299206 490070516 /nfs/dbraw/zinc/07/05/16/490070516.db2.gz GVFAGTLQAOYLRB-LLVKDONJSA-N -1 3 372.443 0.762 10 0 FCAEHM CCOC(=O)CCS(=O)(=O)[N-]Cc1ncn(Cc2cccc(F)c2)n1 ZINC000444275990 490079356 /nfs/dbraw/zinc/07/93/56/490079356.db2.gz FWDFOELWDKWDOT-UHFFFAOYSA-N -1 3 370.406 0.838 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccc(Br)cc2c1=O)NCCO ZINC000444288333 490082264 /nfs/dbraw/zinc/08/22/64/490082264.db2.gz DMWPKFOFUMGJRL-UHFFFAOYSA-N -1 3 368.187 0.129 10 0 FCAEHM COCCCOC1CN(C(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)C1 ZINC000479377823 490086998 /nfs/dbraw/zinc/08/69/98/490086998.db2.gz CJFPRBUXVDNBJG-NSHDSACASA-N -1 3 362.473 0.679 10 0 FCAEHM Cn1nccc1[C@@H](CO)[N-]S(=O)(=O)c1ccc2c(c1)OC(F)(F)O2 ZINC000571320573 491300213 /nfs/dbraw/zinc/30/02/13/491300213.db2.gz QLRRXBHDSDJAEQ-SECBINFHSA-N -1 3 361.326 0.754 10 0 FCAEHM C[C@H]1CCCN1S(=O)(=O)Nc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000545313662 490115912 /nfs/dbraw/zinc/11/59/12/490115912.db2.gz WRJJBDUEEVEJQK-ZUZCIYMTSA-N -1 3 352.416 0.882 10 0 FCAEHM CNC(=O)[C@H]1CCN(C(=O)CC[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000421941009 490116828 /nfs/dbraw/zinc/11/68/28/490116828.db2.gz BIQHGYAYNGTHLV-NSHDSACASA-N -1 3 357.407 0.089 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]CCCN2CCC(C(=O)OC)CC2)c1 ZINC000545369841 490123805 /nfs/dbraw/zinc/12/38/05/490123805.db2.gz RPZQHTZIANTODR-UHFFFAOYSA-N -1 3 358.464 0.456 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)NCc2noc(C3CC3)n2)s1 ZINC000480063472 490156486 /nfs/dbraw/zinc/15/64/86/490156486.db2.gz DWUQTFFYXVZMHE-UHFFFAOYSA-N -1 3 371.444 0.916 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1cnn(-c2cnc3ccccc3n2)c1 ZINC000497408116 490159000 /nfs/dbraw/zinc/15/90/00/490159000.db2.gz IRPLZQSVJGSFNA-LBPRGKRZSA-N -1 3 351.326 0.352 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)NCC[C@H](C)F)s1 ZINC000507046597 490166060 /nfs/dbraw/zinc/16/60/60/490166060.db2.gz UBALFWNJECCDCI-VIFPVBQESA-N -1 3 365.452 0.527 10 0 FCAEHM COc1ccc2c(c1)[n-]cc(C(=O)N[C@@H]1CCc3nnnn3CC1)c2=O ZINC000422135577 490182302 /nfs/dbraw/zinc/18/23/02/490182302.db2.gz NMOURKIYFHLSCJ-SNVBAGLBSA-N -1 3 354.370 0.658 10 0 FCAEHM CN1CCO[C@H]2CCN(C(=O)c3ccc([N-]S(C)(=O)=O)cc3)C[C@H]21 ZINC000408021470 490211519 /nfs/dbraw/zinc/21/15/19/490211519.db2.gz IDWAGXAROCVGTG-CABCVRRESA-N -1 3 353.444 0.603 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NC1CCN(C(=O)CCc2ccccc2)CC1 ZINC000521164891 490232135 /nfs/dbraw/zinc/23/21/35/490232135.db2.gz FXXXYNWKNXXNJZ-UHFFFAOYSA-N -1 3 372.425 0.278 10 0 FCAEHM C[C@@H](NC(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1)c1ccc(-n2ccnn2)cc1 ZINC000546848158 490251261 /nfs/dbraw/zinc/25/12/61/490251261.db2.gz MFQAXRWDIATSCL-BXUZGUMPSA-N -1 3 369.385 0.274 10 0 FCAEHM O=S(=O)([N-]CCc1nc(Cn2cccn2)no1)c1ccccc1F ZINC000507701676 490251790 /nfs/dbraw/zinc/25/17/90/490251790.db2.gz HCUDORFHDGOIKN-UHFFFAOYSA-N -1 3 351.363 0.975 10 0 FCAEHM CN(C)c1nc(C(=O)NCc2ccccc2Cn2cncn2)cc(=O)[n-]1 ZINC000507798788 490265234 /nfs/dbraw/zinc/26/52/34/490265234.db2.gz ZWTPVIFHZJOXTG-UHFFFAOYSA-N -1 3 353.386 0.818 10 0 FCAEHM Cc1cccc([C@H](CC(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)NC(N)=O)c1 ZINC000447760722 490269817 /nfs/dbraw/zinc/26/98/17/490269817.db2.gz PDVTWUPAMQFTMS-UGSOOPFHSA-N -1 3 373.413 0.295 10 0 FCAEHM Cn1cc(C(C)(C)[N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)nn1 ZINC000571523969 491313497 /nfs/dbraw/zinc/31/34/97/491313497.db2.gz PGFWYZUMSCGQMA-UHFFFAOYSA-N -1 3 358.445 0.432 10 0 FCAEHM COc1cc(F)c(S(=O)(=O)[N-]CCc2nnc3n2CCC3)cc1OC ZINC000507888084 490275112 /nfs/dbraw/zinc/27/51/12/490275112.db2.gz MDEQSHQUCSOFCI-UHFFFAOYSA-N -1 3 370.406 0.902 10 0 FCAEHM CS(=O)(=O)[N-]c1cc(C(=O)N2CCC[C@]3(CNC(=O)C3)C2)ccc1F ZINC000408248189 490287437 /nfs/dbraw/zinc/28/74/37/490287437.db2.gz SVQIKDHUDCFJHR-INIZCTEOSA-N -1 3 369.418 0.940 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)NCC[C@@H](O)C(F)(F)F ZINC000547405111 490288609 /nfs/dbraw/zinc/28/86/09/490288609.db2.gz JQTDAGXDFVQJJE-LLVKDONJSA-N -1 3 359.304 0.922 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cn1C ZINC000408349214 490312299 /nfs/dbraw/zinc/31/22/99/490312299.db2.gz HFEHEHFLFJTTHP-BBRMVZONSA-N -1 3 370.475 0.160 10 0 FCAEHM Cc1nc(C)c(S(=O)(=O)[N-][C@H]2CCCC[C@H]2NS(C)(=O)=O)s1 ZINC000408371674 490317711 /nfs/dbraw/zinc/31/77/11/490317711.db2.gz CRSWMYFIOZRJMM-MNOVXSKESA-N -1 3 367.518 0.899 10 0 FCAEHM Cc1nc(C(=O)Nc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)c(=O)[nH]c1C ZINC000534266660 490338598 /nfs/dbraw/zinc/33/85/98/490338598.db2.gz YASKNRRHMYYXRH-KRWDZBQOSA-N -1 3 355.354 0.694 10 0 FCAEHM CCOC(=O)[C@@H](CCOC)NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000467804866 490343217 /nfs/dbraw/zinc/34/32/17/490343217.db2.gz IVMLUAINGDESIO-LLVKDONJSA-N -1 3 362.404 0.194 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@@H](C(=O)C3CC3)C2)c(C)o1 ZINC000547734430 490349199 /nfs/dbraw/zinc/34/91/99/490349199.db2.gz SLEKDAZFIVUZNB-GFCCVEGCSA-N -1 3 356.400 0.316 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@H](C(=O)C3CC3)C2)c(C)o1 ZINC000547734441 490349208 /nfs/dbraw/zinc/34/92/08/490349208.db2.gz SLEKDAZFIVUZNB-LBPRGKRZSA-N -1 3 356.400 0.316 10 0 FCAEHM C[C@]1(c2cccc(C(=O)N3CCSC[C@H]3CCO)c2)NC(=O)[N-]C1=O ZINC000534343376 490357079 /nfs/dbraw/zinc/35/70/79/490357079.db2.gz DWGOWOGDQMOEBC-CXAGYDPISA-N -1 3 363.439 0.681 10 0 FCAEHM CS(=O)(=O)C[C@H]([N-]S(=O)(=O)c1cnc2n1CCC2)c1ccccc1 ZINC000547801633 490358349 /nfs/dbraw/zinc/35/83/49/490358349.db2.gz BQJNOVCVMFOYQU-ZDUSSCGKSA-N -1 3 369.468 0.894 10 0 FCAEHM Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1)C2=O ZINC000571675962 491322636 /nfs/dbraw/zinc/32/26/36/491322636.db2.gz IOHXBAOBSVJAHX-CYBMUJFWSA-N -1 3 368.397 0.496 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1ccc(C(=O)Nc2cccnc2)cc1 ZINC000522876977 490414709 /nfs/dbraw/zinc/41/47/09/490414709.db2.gz NAWLDPIUMXJVBO-UHFFFAOYSA-N -1 3 353.338 0.824 10 0 FCAEHM CCOc1nc2ccc(C(=O)N3CCC[C@H]3CS(N)(=O)=O)cc2[n-]1 ZINC000449856283 490432613 /nfs/dbraw/zinc/43/26/13/490432613.db2.gz MODCBEDOMAJIPX-NSHDSACASA-N -1 3 352.416 0.855 10 0 FCAEHM CCOc1nc2cc(C(=O)N3CCC[C@H]3CS(N)(=O)=O)ccc2[n-]1 ZINC000449856283 490432619 /nfs/dbraw/zinc/43/26/19/490432619.db2.gz MODCBEDOMAJIPX-NSHDSACASA-N -1 3 352.416 0.855 10 0 FCAEHM CN(C(=O)c1[nH]c(=O)[n-]c(=O)c1N)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000468803553 490449502 /nfs/dbraw/zinc/44/95/02/490449502.db2.gz CVPQKBNYZMTHMQ-SNVBAGLBSA-N -1 3 361.333 0.487 10 0 FCAEHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC000548256898 490451419 /nfs/dbraw/zinc/45/14/19/490451419.db2.gz DHLBIMHTECJFQA-ZDUSSCGKSA-N -1 3 361.427 0.944 10 0 FCAEHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC000548256898 490451422 /nfs/dbraw/zinc/45/14/22/490451422.db2.gz DHLBIMHTECJFQA-ZDUSSCGKSA-N -1 3 361.427 0.944 10 0 FCAEHM CCCc1nc(=NC(=O)C(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)s[n-]1 ZINC000411417784 490454099 /nfs/dbraw/zinc/45/40/99/490454099.db2.gz FDCIZANBUBZYDD-NEPJUHHUSA-N -1 3 351.476 0.794 10 0 FCAEHM Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000535317850 490477944 /nfs/dbraw/zinc/47/79/44/490477944.db2.gz OFKGQBAYSLIZQP-JTQLQIEISA-N -1 3 372.303 0.824 10 0 FCAEHM CCOC(=O)C1(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)CCOCC1 ZINC000510268185 490503922 /nfs/dbraw/zinc/50/39/22/490503922.db2.gz NKKRFXLGEZANHM-UHFFFAOYSA-N -1 3 359.386 0.843 10 0 FCAEHM CCOC(=O)C1(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC000510268185 490503927 /nfs/dbraw/zinc/50/39/27/490503927.db2.gz NKKRFXLGEZANHM-UHFFFAOYSA-N -1 3 359.386 0.843 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)N[C@H]2CCOC[C@@H]2C)ccc1F ZINC000500358859 490508407 /nfs/dbraw/zinc/50/84/07/490508407.db2.gz KDBJXQLROUIWRG-CABZTGNLSA-N -1 3 373.406 0.214 10 0 FCAEHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)n[nH]1 ZINC000535692754 490513288 /nfs/dbraw/zinc/51/32/88/490513288.db2.gz RKUDTCOFAGFAGV-SECBINFHSA-N -1 3 370.456 0.736 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCc1noc(C2CC2)n1 ZINC000535729865 490519084 /nfs/dbraw/zinc/51/90/84/490519084.db2.gz RQRUWXCFROENNB-QMMMGPOBSA-N -1 3 356.429 0.992 10 0 FCAEHM C[C@H]1CN(CC[N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)CCO1 ZINC000548694513 490530502 /nfs/dbraw/zinc/53/05/02/490530502.db2.gz KKCDTXRBUMHALN-LBPRGKRZSA-N -1 3 362.473 0.089 10 0 FCAEHM CCS(=O)(=O)C[C@@H](C)[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000536009038 490545984 /nfs/dbraw/zinc/54/59/84/490545984.db2.gz ZPENJZTYFAOJDR-SNVBAGLBSA-N -1 3 369.486 0.192 10 0 FCAEHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@H]1CCC[C@@H](C(N)=O)C1 ZINC000485845092 490563432 /nfs/dbraw/zinc/56/34/32/490563432.db2.gz DPEIJXSILUJZEC-ZJUUUORDSA-N -1 3 358.416 0.951 10 0 FCAEHM Cc1nn2cc(S(=O)(=O)[N-]CCc3cn(C)cn3)cnc2c1Cl ZINC000571892802 491336167 /nfs/dbraw/zinc/33/61/67/491336167.db2.gz CGKDUYNRVJLILJ-UHFFFAOYSA-N -1 3 354.823 0.946 10 0 FCAEHM CCn1c(=O)[n-]c(=O)c2c(C(=O)NC(C)(C)C(N)=O)cc(C3CC3)nc21 ZINC000485880724 490566805 /nfs/dbraw/zinc/56/68/05/490566805.db2.gz KXCMJNSZRPMFDV-UHFFFAOYSA-N -1 3 359.386 0.388 10 0 FCAEHM CN(C)c1nc(C(=O)NCc2cccc(CS(C)(=O)=O)c2)cc(=O)[n-]1 ZINC000549303450 490573875 /nfs/dbraw/zinc/57/38/75/490573875.db2.gz ZZXVISNACCWEOP-UHFFFAOYSA-N -1 3 364.427 0.723 10 0 FCAEHM COc1ccsc1S(=O)(=O)[N-]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000511414066 490593150 /nfs/dbraw/zinc/59/31/50/490593150.db2.gz MMBIANZZUKFBSW-JTQLQIEISA-N -1 3 368.502 0.849 10 0 FCAEHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(CCO)[C@@H]1CCO[C@@H]1C ZINC000501467578 490606585 /nfs/dbraw/zinc/60/65/85/490606585.db2.gz ALAHORAUIOUMGK-GHMZBOCLSA-N -1 3 370.427 0.780 10 0 FCAEHM O=C(CNC(=O)c1ccc([O-])cc1)NC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000549816223 490609243 /nfs/dbraw/zinc/60/92/43/490609243.db2.gz SVQVBBIEIRCHAH-RHSMWYFYSA-N -1 3 362.426 0.806 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)N2C[C@H](C(N)=O)CC[C@H]2C)ccc1F ZINC000486406927 490618853 /nfs/dbraw/zinc/61/88/53/490618853.db2.gz OJAZLKYLXKYNLT-NXEZZACHSA-N -1 3 372.422 0.852 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)ccc1F ZINC000486406928 490619628 /nfs/dbraw/zinc/61/96/28/490619628.db2.gz OJAZLKYLXKYNLT-UWVGGRQHSA-N -1 3 372.422 0.852 10 0 FCAEHM CC(C)CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000536910828 490623004 /nfs/dbraw/zinc/62/30/04/490623004.db2.gz QYNQBHRNKNLURJ-SDDRHHMPSA-N -1 3 370.475 0.427 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC(OCC(C)C)CC2)cn1C ZINC000511817327 490630681 /nfs/dbraw/zinc/63/06/81/490630681.db2.gz NAGQPTBUWSPPMU-UHFFFAOYSA-N -1 3 372.491 0.670 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)ccc1F ZINC000486517742 490642886 /nfs/dbraw/zinc/64/28/86/490642886.db2.gz LGGGLWQBRJIPAT-ZJUUUORDSA-N -1 3 372.422 0.899 10 0 FCAEHM CC[C@](C)([N-]S(=O)(=O)C1CN(C(=O)c2ccccc2)C1)C(=O)OC ZINC000501858792 490647106 /nfs/dbraw/zinc/64/71/06/490647106.db2.gz JMPUCZLQSNQAOY-INIZCTEOSA-N -1 3 354.428 0.772 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cc(C3CC3)nc3c2c(=O)[n-]c(=O)n3C)CCC1=O ZINC000526010893 490665291 /nfs/dbraw/zinc/66/52/91/490665291.db2.gz CRECENLJEFLASE-SECBINFHSA-N -1 3 356.382 0.963 10 0 FCAEHM CC1(C(N)=O)CN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000565022890 491346165 /nfs/dbraw/zinc/34/61/65/491346165.db2.gz UBKDCFJFJZIXAF-UHFFFAOYSA-N -1 3 351.837 0.014 10 0 FCAEHM COc1cccc(CNC(=O)CC[N-]S(=O)(=O)c2cn(C)c(C)n2)n1 ZINC000512665811 490691939 /nfs/dbraw/zinc/69/19/39/490691939.db2.gz PQLXWVCOMCIMBQ-UHFFFAOYSA-N -1 3 367.431 0.117 10 0 FCAEHM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1sccc1OC ZINC000487341742 490706478 /nfs/dbraw/zinc/70/64/78/490706478.db2.gz XPLJJGFLPCNSTQ-BDAKNGLRSA-N -1 3 364.445 0.491 10 0 FCAEHM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000487380875 490710338 /nfs/dbraw/zinc/71/03/38/490710338.db2.gz STHVIIDEHWFXIF-BDAKNGLRSA-N -1 3 363.823 0.470 10 0 FCAEHM CN1CCC[C@H]1CNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000538277666 490724266 /nfs/dbraw/zinc/72/42/66/490724266.db2.gz UTKYEKNWAYWRMT-NSHDSACASA-N -1 3 365.452 0.570 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)NCC[C@@H]3CCCOC3)cnc21 ZINC000528448266 490798070 /nfs/dbraw/zinc/79/80/70/490798070.db2.gz JWJNMDGRLRYRNM-JTQLQIEISA-N -1 3 368.415 0.129 10 0 FCAEHM Cc1nn2cc(S(=O)(=O)[N-]C[C@@H](O)[C@@H]3CCCO3)cnc2c1Cl ZINC000528494431 490803698 /nfs/dbraw/zinc/80/36/98/490803698.db2.gz XJMAVZCNIIHKMD-MNOVXSKESA-N -1 3 360.823 0.509 10 0 FCAEHM O=C(Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1)N1CCN(C2CC2)C(=O)C1 ZINC000504618626 490806683 /nfs/dbraw/zinc/80/66/83/490806683.db2.gz AYTBRETWJJECFZ-AWEZNQCLSA-N -1 3 371.397 0.276 10 0 FCAEHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2CCN2C2CCCC2)cn1 ZINC000528546183 490807971 /nfs/dbraw/zinc/80/79/71/490807971.db2.gz BFQAFXFEFMJUQR-ZDUSSCGKSA-N -1 3 373.500 0.780 10 0 FCAEHM COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)[N-]CC1COC1 ZINC000528566435 490809814 /nfs/dbraw/zinc/80/98/14/490809814.db2.gz WAWFLGLMQIZDRG-UHFFFAOYSA-N -1 3 362.835 0.975 10 0 FCAEHM CNC(=O)NC[C@H]1CN(Cc2cc(=O)oc3c(C)c([O-])ccc23)CCO1 ZINC000528627989 490815990 /nfs/dbraw/zinc/81/59/90/490815990.db2.gz UNZAANLVURWWGE-ZDUSSCGKSA-N -1 3 361.398 0.937 10 0 FCAEHM Cc1cc(C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c(C)n1[C@@H]1CCOC1 ZINC000529211142 490845961 /nfs/dbraw/zinc/84/59/61/490845961.db2.gz LJHLSVUVNBCAJS-FZKQIMNGSA-N -1 3 360.414 0.881 10 0 FCAEHM COCCCS(=O)(=O)NCCN1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000516063708 490848252 /nfs/dbraw/zinc/84/82/52/490848252.db2.gz VHUCBFWGHDZSEK-CVEARBPZSA-N -1 3 370.471 0.743 10 0 FCAEHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@@]2(CCO)CCOC2)c1 ZINC000541125308 490850678 /nfs/dbraw/zinc/85/06/78/490850678.db2.gz QJOSBXGYMQPVOU-OAHLLOKOSA-N -1 3 361.391 0.680 10 0 FCAEHM CCn1ncc(CNC(=O)c2cc(C3CC3)nc3c2c(=O)[n-]c(=O)n3C)n1 ZINC000529592904 490862844 /nfs/dbraw/zinc/86/28/44/490862844.db2.gz XFJMTJFWJIWCKN-UHFFFAOYSA-N -1 3 369.385 0.453 10 0 FCAEHM CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1c[n-]nc1-c1ccccn1 ZINC000529752834 490872642 /nfs/dbraw/zinc/87/26/42/490872642.db2.gz OLJMOCMVRXZRIZ-IBGZPJMESA-N -1 3 371.441 0.817 10 0 FCAEHM CC[C@]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)(C(N)=O)C(C)C ZINC000541914097 490878361 /nfs/dbraw/zinc/87/83/61/490878361.db2.gz JRLRTMLTWCTCNW-CQSZACIVSA-N -1 3 362.473 0.659 10 0 FCAEHM O=C(CNC(=O)c1cccc([O-])c1)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000530050380 490886012 /nfs/dbraw/zinc/88/60/12/490886012.db2.gz KUCWDKYMJPXIAT-KGLIPLIRSA-N -1 3 352.412 0.300 10 0 FCAEHM Cn1ccnc1CN1CCC[C@H]([N-]S(=O)(=O)c2cncc(F)c2)C1=O ZINC000542121973 490886053 /nfs/dbraw/zinc/88/60/53/490886053.db2.gz FBOWDTTUKMIRBS-ZDUSSCGKSA-N -1 3 367.406 0.424 10 0 FCAEHM Cn1ccnc1CN1CCC[C@@H]([N-]S(=O)(=O)c2cncc(F)c2)C1=O ZINC000542121972 490886349 /nfs/dbraw/zinc/88/63/49/490886349.db2.gz FBOWDTTUKMIRBS-CYBMUJFWSA-N -1 3 367.406 0.424 10 0 FCAEHM O=S(=O)([N-]CC[C@@H](O)C(F)(F)F)c1cnn(C2CCOCC2)c1 ZINC000542702614 490904855 /nfs/dbraw/zinc/90/48/55/490904855.db2.gz KXKUEICUPLBWNV-LLVKDONJSA-N -1 3 357.354 0.826 10 0 FCAEHM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)C[C@@H]1C(=O)[O-] ZINC000517371334 490906022 /nfs/dbraw/zinc/90/60/22/490906022.db2.gz RRAKXANDNAIXEA-ILXRZTDVSA-N -1 3 351.447 0.642 10 0 FCAEHM COc1ccc(S(=O)(=O)N2[C@H](C)C[C@@H]2C)cc1[C@]1(C)NC(=O)[N-]C1=O ZINC000530479082 490907742 /nfs/dbraw/zinc/90/77/42/490907742.db2.gz ASJWGIGRFJAURY-IEVXNVSRSA-N -1 3 367.427 0.921 10 0 FCAEHM O=C(c1ccn(-c2cccc(Cl)c2)n1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000530666554 490918659 /nfs/dbraw/zinc/91/86/59/490918659.db2.gz GGLFQGKXTDWROV-ZDUSSCGKSA-N -1 3 359.773 0.902 10 0 FCAEHM Cn1ncc(Br)c1C(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1 ZINC000517750083 490919783 /nfs/dbraw/zinc/91/97/83/490919783.db2.gz SDYSTISXELFWGU-QMMMGPOBSA-N -1 3 354.212 0.701 10 0 FCAEHM CC(C)n1cc(Cn2cc(I)c(=O)[n-]c2=O)nn1 ZINC000517964572 490926715 /nfs/dbraw/zinc/92/67/15/490926715.db2.gz GKUUREUNICWXBM-UHFFFAOYSA-N -1 3 361.143 0.774 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)N1CCO[C@@]2(CCSC2)C1 ZINC000572365801 491365336 /nfs/dbraw/zinc/36/53/36/491365336.db2.gz AWOYHVCWZPIEPB-HNNXBMFYSA-N -1 3 374.459 0.839 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC[C@H](O)C(F)(F)F ZINC000543631509 490939630 /nfs/dbraw/zinc/93/96/30/490939630.db2.gz NTKSDJUPDUKQPK-JTQLQIEISA-N -1 3 361.363 0.682 10 0 FCAEHM CCS(=O)(=O)N1CCC(C[N-]S(=O)(=O)c2ccc(C)o2)CC1 ZINC000543671275 490940456 /nfs/dbraw/zinc/94/04/56/490940456.db2.gz AFYDZSKMRUQRPK-UHFFFAOYSA-N -1 3 350.462 0.928 10 0 FCAEHM CCN(Cc1cn(C)nn1)C(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000543832949 490949031 /nfs/dbraw/zinc/94/90/31/490949031.db2.gz PQEJMVAXWQDCBP-QGZVFWFLSA-N -1 3 356.386 0.532 10 0 FCAEHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C2CCC(C(N)=O)CC2)c1 ZINC000543908139 490951111 /nfs/dbraw/zinc/95/11/11/490951111.db2.gz DMHAJNPVSIGYMC-UHFFFAOYSA-N -1 3 358.391 0.935 10 0 FCAEHM CCc1nncn1CCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000531304882 490951899 /nfs/dbraw/zinc/95/18/99/490951899.db2.gz HXPJJUPQLXEEOR-CQSZACIVSA-N -1 3 357.414 0.967 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000543947064 490952975 /nfs/dbraw/zinc/95/29/75/490952975.db2.gz IXUSESPHPGHKDM-LBPRGKRZSA-N -1 3 357.345 0.494 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CNCCC2(F)F)cc1OC ZINC000518978033 490957500 /nfs/dbraw/zinc/95/75/00/490957500.db2.gz AEWMBZPFYILSKO-LBPRGKRZSA-N -1 3 364.370 0.757 10 0 FCAEHM NC(=O)COc1ccc(Cl)cc1S(=O)(=O)[N-]CC[C@H]1CCOC1 ZINC000544113411 490957620 /nfs/dbraw/zinc/95/76/20/490957620.db2.gz RGJAEKDWMITDGS-JTQLQIEISA-N -1 3 362.835 0.909 10 0 FCAEHM CCOC(=O)[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000544183422 490960798 /nfs/dbraw/zinc/96/07/98/490960798.db2.gz GSHZDEMHPNOABL-WDEREUQCSA-N -1 3 363.457 0.956 10 0 FCAEHM O=C(NCc1ncccc1[O-])NC[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000572397522 491367628 /nfs/dbraw/zinc/36/76/28/491367628.db2.gz AZZDJFDXJWXCFF-NSHDSACASA-N -1 3 363.395 0.821 10 0 FCAEHM C[C@]1(c2ccc(NC(=O)CNC(=O)c3cccnc3)cc2)NC(=O)[N-]C1=O ZINC000531940094 490981092 /nfs/dbraw/zinc/98/10/92/490981092.db2.gz ZWAJLBNIZAPKOZ-GOSISDBHSA-N -1 3 367.365 0.505 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H]1CCC[C@@H](C(N)=O)C1 ZINC000532196265 490989560 /nfs/dbraw/zinc/98/95/60/490989560.db2.gz CSJLDOCLXYJYSK-MNOVXSKESA-N -1 3 360.457 0.413 10 0 FCAEHM COC(=O)CC[C@H](C(=O)OC)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000595376006 491925419 /nfs/dbraw/zinc/92/54/19/491925419.db2.gz GZGAVDMYUJBCFY-CQSZACIVSA-N -1 3 364.398 0.645 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)c2ccc(N3CCNC3=O)cc2)nc1=N ZINC000562767605 491187528 /nfs/dbraw/zinc/18/75/28/491187528.db2.gz VFDIPGJDBHVIJY-ZDUSSCGKSA-N -1 3 355.402 0.735 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-]Cc2nc(-c3ccncc3)no2)C[C@@H](C)O1 ZINC000557883386 491403657 /nfs/dbraw/zinc/40/36/57/491403657.db2.gz VDNWLMCSDIUVMQ-GHMZBOCLSA-N -1 3 353.404 0.575 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)Nc2cccc(CCCO)c2)c1 ZINC000566060739 491415406 /nfs/dbraw/zinc/41/54/06/491415406.db2.gz LAJMWYXMOQQSAN-UHFFFAOYSA-N -1 3 352.416 0.262 10 0 FCAEHM Cc1ccsc1[C@@H](CO)NC(=O)C[N-]S(=O)(=O)c1c(C)noc1C ZINC000558563342 491436387 /nfs/dbraw/zinc/43/63/87/491436387.db2.gz WSOIMEZQRNQQPA-LLVKDONJSA-N -1 3 373.456 0.789 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@@H](CO)C1CCOCC1 ZINC000573645372 491445620 /nfs/dbraw/zinc/44/56/20/491445620.db2.gz GDZZMABGHAQYMD-LBPRGKRZSA-N -1 3 361.416 0.749 10 0 FCAEHM Cc1cc(F)ccc1CN(C)C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000573706978 491449752 /nfs/dbraw/zinc/44/97/52/491449752.db2.gz BEBGWNAXJQCYPH-UHFFFAOYSA-N -1 3 354.407 0.805 10 0 FCAEHM Cc1nc(CN2CCN(C(=O)c3cc(=O)[n-]c(N(C)C)n3)CC2)oc1C ZINC000559013287 491451251 /nfs/dbraw/zinc/45/12/51/491451251.db2.gz KDHTVGDSFVWFFY-UHFFFAOYSA-N -1 3 360.418 0.811 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)c2cnc(C(=O)OC(C)(C)C)cn2)nc1=N ZINC000573854019 491458922 /nfs/dbraw/zinc/45/89/22/491458922.db2.gz MTZYSUWGLLWCRM-GFCCVEGCSA-N -1 3 373.417 0.950 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N[C@H]1CNCCC1(F)F ZINC000573968159 491466232 /nfs/dbraw/zinc/46/62/32/491466232.db2.gz HSAGPKUUWWWCGO-JTQLQIEISA-N -1 3 369.340 0.357 10 0 FCAEHM COC(=O)CNC(=O)CNC(=O)Cc1ccc(Br)cc1[O-] ZINC000566923498 491475698 /nfs/dbraw/zinc/47/56/98/491475698.db2.gz IMWCIRNKWSEYSE-UHFFFAOYSA-N -1 3 359.176 0.103 10 0 FCAEHM COC(=O)c1nc[n-]c1NC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O ZINC000574287438 491487100 /nfs/dbraw/zinc/48/71/00/491487100.db2.gz GGXHMQWDRODTOY-UHFFFAOYSA-N -1 3 363.374 0.732 10 0 FCAEHM COC(=O)c1[n-]cnc1NC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O ZINC000574287438 491487102 /nfs/dbraw/zinc/48/71/02/491487102.db2.gz GGXHMQWDRODTOY-UHFFFAOYSA-N -1 3 363.374 0.732 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-]CC(=O)NCc2ccco2)CCCC1 ZINC000567651161 491520798 /nfs/dbraw/zinc/52/07/98/491520798.db2.gz IVSJEVIRSDUYAY-UHFFFAOYSA-N -1 3 358.416 0.549 10 0 FCAEHM Cn1ccc(NC(=O)C[N-]S(=O)(=O)CCc2ccc(Cl)cc2)n1 ZINC000567720857 491525303 /nfs/dbraw/zinc/52/53/03/491525303.db2.gz IFQQOVQRAKLQMV-UHFFFAOYSA-N -1 3 356.835 1.174 10 0 FCAEHM O=c1[n-]c(=O)n(CCOC[C@@H]2CCCO2)cc1I ZINC000567753620 491527389 /nfs/dbraw/zinc/52/73/89/491527389.db2.gz AZJLUADUGALOSO-QMMMGPOBSA-N -1 3 366.155 0.749 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(C(=O)N(C)CC(N)=O)c1)C1CC1 ZINC000567869720 491536367 /nfs/dbraw/zinc/53/63/67/491536367.db2.gz GPDZCVLDEYAOPL-AWEZNQCLSA-N -1 3 369.443 0.411 10 0 FCAEHM CCN(CCNC(=O)C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1)C1CC1 ZINC000567887544 491538021 /nfs/dbraw/zinc/53/80/21/491538021.db2.gz MPZLNYQXIFNBRK-SJORKVTESA-N -1 3 373.453 0.914 10 0 FCAEHM COc1ccc(C(=O)N2CCOCC2)cc1[N-]S(=O)(=O)N1CCC1 ZINC000560438041 491539602 /nfs/dbraw/zinc/53/96/02/491539602.db2.gz DEYMNDAMBCNJCJ-UHFFFAOYSA-N -1 3 355.416 0.530 10 0 FCAEHM CC(=O)N1CCN(c2cccc(NC(=O)CN3CC(=O)[N-]C3=O)c2C)C1=O ZINC000560461556 491540453 /nfs/dbraw/zinc/54/04/53/491540453.db2.gz SUICGTUOEQXWBZ-UHFFFAOYSA-N -1 3 373.369 0.274 10 0 FCAEHM CCOC(=O)[C@@H]([N-]S(=O)(=O)CCN(CC)CC)[C@@H]1CCCOC1 ZINC000568010307 491547172 /nfs/dbraw/zinc/54/71/72/491547172.db2.gz AFEXRTIEZUSSMG-KGLIPLIRSA-N -1 3 350.481 0.606 10 0 FCAEHM CCC[C@H](C)[C@H](CO)NS(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000568033302 491548981 /nfs/dbraw/zinc/54/89/81/491548981.db2.gz ICCXBCOLXCAVIJ-CABZTGNLSA-N -1 3 370.431 0.110 10 0 FCAEHM CCS(=O)(=O)NCCS(=O)(=O)[N-][C@H](c1ccccc1F)[C@H](C)O ZINC000568032756 491549174 /nfs/dbraw/zinc/54/91/74/491549174.db2.gz QNHHXHWKEOMSJI-GWCFXTLKSA-N -1 3 368.452 0.106 10 0 FCAEHM CCCc1ncc(C[N-]S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)o1 ZINC000575754743 491558867 /nfs/dbraw/zinc/55/88/67/491558867.db2.gz PWWGRXUXWGLVBY-UHFFFAOYSA-N -1 3 359.429 0.904 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)Cn2cc(Br)cn2)nc1=N ZINC000575753948 491558925 /nfs/dbraw/zinc/55/89/25/491558925.db2.gz CIFZNEIAVWWLDI-VIFPVBQESA-N -1 3 354.212 0.550 10 0 FCAEHM Cc1ccc(S(N)(=O)=O)c(C(=O)N2CCC[C@H]2c2nc(=N)n(C)[n-]2)c1 ZINC000575885691 491567679 /nfs/dbraw/zinc/56/76/79/491567679.db2.gz ZFOCAHAFQSQCJS-NSHDSACASA-N -1 3 364.431 0.161 10 0 FCAEHM C[C@@H](CCNC(=O)C[N-]S(=O)(=O)c1ccccc1F)[S@@](C)=O ZINC000568337362 491570179 /nfs/dbraw/zinc/57/01/79/491570179.db2.gz GPUCMSNSHSWCPH-CHNSCGDPSA-N -1 3 350.437 0.377 10 0 FCAEHM O=C(CCCn1c(=O)oc2ccccc21)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000576100881 491581422 /nfs/dbraw/zinc/58/14/22/491581422.db2.gz AATNNNNKAIRBER-GOSISDBHSA-N -1 3 372.381 0.575 10 0 FCAEHM Cc1nn2cc(S(=O)(=O)[N-][C@@H]3CNCCC3(F)F)cnc2c1Cl ZINC000568628320 491593983 /nfs/dbraw/zinc/59/39/83/491593983.db2.gz PREOHYAMMQDLJW-SECBINFHSA-N -1 3 365.793 0.967 10 0 FCAEHM NC(=O)C[C@@H]1CCCCN1C(=O)C[N-]S(=O)(=O)c1ccccc1F ZINC000568820266 491611714 /nfs/dbraw/zinc/61/17/14/491611714.db2.gz PHCRBXYZYKOGNN-NSHDSACASA-N -1 3 357.407 0.361 10 0 FCAEHM Cc1cc(N2CCN(C(=O)Cc3cncc([O-])c3)CC2)n2ncnc2n1 ZINC000576480015 491618884 /nfs/dbraw/zinc/61/88/84/491618884.db2.gz SUJUBIUXXRYHNZ-UHFFFAOYSA-N -1 3 353.386 0.425 10 0 FCAEHM O=C(Nc1cc(-c2ccccc2F)on1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000577453534 491622991 /nfs/dbraw/zinc/62/29/91/491622991.db2.gz MTTVCQRDSWXNTF-NSHDSACASA-N -1 3 359.317 1.249 10 0 FCAEHM O=C(NC[C@H]1CSc2ccccc2O1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000568980302 491623873 /nfs/dbraw/zinc/62/38/73/491623873.db2.gz GONDLTXCEDEKDA-WDEREUQCSA-N -1 3 362.411 0.485 10 0 FCAEHM Cc1ccc(S(=O)(=O)NCC[N-]S(=O)(=O)c2cscn2)cc1 ZINC000568994667 491625294 /nfs/dbraw/zinc/62/52/94/491625294.db2.gz FMAQSYRQNFNNCR-UHFFFAOYSA-N -1 3 361.470 0.708 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H]1C[C@@H]2CCCCN2C1=O ZINC000576568019 491625739 /nfs/dbraw/zinc/62/57/39/491625739.db2.gz CUIALJHWRMTKDR-RYUDHWBXSA-N -1 3 372.468 0.522 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)CSCC(=O)OC(C)(C)C)nc1=N ZINC000578075654 491669368 /nfs/dbraw/zinc/66/93/68/491669368.db2.gz GSNJREFPCNYNAI-JTQLQIEISA-N -1 3 355.464 0.966 10 0 FCAEHM CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000578132438 491670527 /nfs/dbraw/zinc/67/05/27/491670527.db2.gz FLIKHCCKCBLIDJ-RBSFLKMASA-N -1 3 353.463 0.936 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@H]2COCC[C@H]21 ZINC000578287252 491673911 /nfs/dbraw/zinc/67/39/11/491673911.db2.gz UFSPSCVPGBIWDB-QWHCGFSZSA-N -1 3 374.484 0.784 10 0 FCAEHM Cc1ccncc1S(=O)(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000578595033 491680471 /nfs/dbraw/zinc/68/04/71/491680471.db2.gz YJHJWGDYCMBAAM-UHFFFAOYSA-N -1 3 361.470 0.708 10 0 FCAEHM C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)Cc2cncc([O-])c2)CC1 ZINC000578667574 491682056 /nfs/dbraw/zinc/68/20/56/491682056.db2.gz VROCDLZGMBWGNA-CQSZACIVSA-N -1 3 360.458 0.921 10 0 FCAEHM CCOc1ccncc1S(=O)(=O)[N-]Cc1ccc(S(N)(=O)=O)cc1 ZINC000579405800 491697427 /nfs/dbraw/zinc/69/74/27/491697427.db2.gz NXJAGCCSNDKKNT-UHFFFAOYSA-N -1 3 371.440 0.606 10 0 FCAEHM NS(=O)(=O)c1cccc(-c2ccc([C@H](O)CO)cc2)c1-c1nnn[n-]1 ZINC000584611707 491708927 /nfs/dbraw/zinc/70/89/27/491708927.db2.gz QRUSDNQCTDTOQC-GFCCVEGCSA-N -1 3 361.383 0.207 10 0 FCAEHM CC1(CO)CN(C(=O)C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC000584722861 491711752 /nfs/dbraw/zinc/71/17/52/491711752.db2.gz MHEBMFNUDVCBPS-UHFFFAOYSA-N -1 3 366.361 0.825 10 0 FCAEHM CNC(=O)[C@@H](C[N-]S(=O)(=O)c1c[nH]cn1)Cc1ccc(OC)c(F)c1 ZINC000584837132 491716350 /nfs/dbraw/zinc/71/63/50/491716350.db2.gz ZRFPJSAZQAESBX-LLVKDONJSA-N -1 3 370.406 0.441 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)N1CC[C@@H](n2ccnn2)C1 ZINC000585321031 491721766 /nfs/dbraw/zinc/72/17/66/491721766.db2.gz CQVCLQBQDKQFGH-GFCCVEGCSA-N -1 3 367.406 0.559 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]Cc2ccc(CS(=O)(=O)NC)cc2)c1 ZINC000673818504 493363363 /nfs/dbraw/zinc/36/33/63/493363363.db2.gz HEDUENSRLXHSFG-UHFFFAOYSA-N -1 3 372.472 0.431 10 0 FCAEHM Cc1ncc(CNC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)c(N)n1 ZINC000580974399 491753896 /nfs/dbraw/zinc/75/38/96/491753896.db2.gz PUAYTQKSTKNOHT-UHFFFAOYSA-N -1 3 353.379 0.808 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@@H](C)[C@@H]1CN(C)CCO1 ZINC000589225189 491757717 /nfs/dbraw/zinc/75/77/17/491757717.db2.gz MIJGUFXQDITYCL-CABZTGNLSA-N -1 3 360.432 0.680 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@H](C)[C@@H]1CN(C)CCO1 ZINC000589225194 491757756 /nfs/dbraw/zinc/75/77/56/491757756.db2.gz MIJGUFXQDITYCL-SKDRFNHKSA-N -1 3 360.432 0.680 10 0 FCAEHM CCn1cnnc1CC[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000589221491 491757792 /nfs/dbraw/zinc/75/77/92/491757792.db2.gz ADBLNHKYWWDRFW-UHFFFAOYSA-N -1 3 356.404 0.815 10 0 FCAEHM C[C@@H](O)[C@H]([N-]S(=O)(=O)CCCS(C)(=O)=O)c1ccccc1F ZINC000581135608 491760811 /nfs/dbraw/zinc/76/08/11/491760811.db2.gz INIQQWXBFGEYFZ-MFKMUULPSA-N -1 3 353.437 0.602 10 0 FCAEHM C[C@H](c1nnnn1C)S(=O)(=O)c1nnc([N-]c2ccccc2)s1 ZINC000581231118 491764971 /nfs/dbraw/zinc/76/49/71/491764971.db2.gz NBCHBRBJVPDKBW-MRVPVSSYSA-N -1 3 351.417 1.340 10 0 FCAEHM Cc1c(CN(C)C(=O)NCC[N-]S(=O)(=O)c2cccs2)cnn1C ZINC000581350289 491769486 /nfs/dbraw/zinc/76/94/86/491769486.db2.gz FTQLLBAWDQATCA-UHFFFAOYSA-N -1 3 371.488 0.910 10 0 FCAEHM O=S(=O)(Cc1ccon1)[N-]C[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000581545875 491777191 /nfs/dbraw/zinc/77/71/91/491777191.db2.gz HULJEHKTYCQBOF-LLVKDONJSA-N -1 3 358.397 0.329 10 0 FCAEHM CCOC(=O)C[C@H](CO)NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000590552613 491778825 /nfs/dbraw/zinc/77/88/25/491778825.db2.gz GGDRQUMVLYQEDN-SNVBAGLBSA-N -1 3 362.379 0.241 10 0 FCAEHM CCOC(=O)C[C@@H](CO)NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000590552603 491778932 /nfs/dbraw/zinc/77/89/32/491778932.db2.gz GGDRQUMVLYQEDN-JTQLQIEISA-N -1 3 362.379 0.241 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@@H]2c2nc(=N)n(C)[nH]2)c([O-])c1 ZINC000581693865 491782913 /nfs/dbraw/zinc/78/29/13/491782913.db2.gz SBDXSQRHTOUTNW-CYBMUJFWSA-N -1 3 372.429 0.725 10 0 FCAEHM COC(=O)C[C@@]1([N-]S(=O)(=O)C[C@@H](OC)C2CCOCC2)CCOC1 ZINC000592047446 491829450 /nfs/dbraw/zinc/82/94/50/491829450.db2.gz XBQRSRHGOKCUPH-HIFRSBDPSA-N -1 3 365.448 0.070 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]CC(C)(C)[C@@]2(O)CCOC2)s1 ZINC000592087697 491831430 /nfs/dbraw/zinc/83/14/30/491831430.db2.gz RXTPJUNMGDXLIL-CQSZACIVSA-N -1 3 363.457 0.991 10 0 FCAEHM COC(=O)[C@H]([N-]S(=O)(=O)CCCC1CCOCC1)c1ccnn1C ZINC000592094957 491832146 /nfs/dbraw/zinc/83/21/46/491832146.db2.gz DBVWMFHLOJTOCF-CQSZACIVSA-N -1 3 359.448 0.760 10 0 FCAEHM CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000583092813 491837854 /nfs/dbraw/zinc/83/78/54/491837854.db2.gz ADCSZYWRWASRSN-WDEREUQCSA-N -1 3 354.432 0.507 10 0 FCAEHM COCC[C@H]([N-]S(=O)(=O)C1CN(C(=O)c2ccccc2)C1)C(=O)OC ZINC000583255822 491840947 /nfs/dbraw/zinc/84/09/47/491840947.db2.gz CNCKRBQYDVBXOI-AWEZNQCLSA-N -1 3 370.427 0.009 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NCCc1cnc(SC2CCCC2)nc1 ZINC000583386398 491843963 /nfs/dbraw/zinc/84/39/63/491843963.db2.gz VHTXSAYJCTZEDJ-UHFFFAOYSA-N -1 3 363.443 0.722 10 0 FCAEHM C[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)C[C@H]1C(=O)[O-] ZINC000584291420 491862401 /nfs/dbraw/zinc/86/24/01/491862401.db2.gz PIZWHFGFUSMYLH-QLFBSQMISA-N -1 3 369.462 0.125 10 0 FCAEHM Cc1nn(C)c(C)c1CCNC(=O)C[N-]S(=O)(=O)c1ccccc1F ZINC000584320969 491862996 /nfs/dbraw/zinc/86/29/96/491862996.db2.gz WAJIQDMLQOBATG-UHFFFAOYSA-N -1 3 368.434 0.813 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CC[C@H](C)S(=O)(=O)C2)s1 ZINC000594847338 491865938 /nfs/dbraw/zinc/86/59/38/491865938.db2.gz DGSPYEFGMAYRDG-IUCAKERBSA-N -1 3 367.470 0.779 10 0 FCAEHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000594849240 491866592 /nfs/dbraw/zinc/86/65/92/491866592.db2.gz MJHOKFHFINIQFF-RKDXNWHRSA-N -1 3 367.470 0.779 10 0 FCAEHM CN(C(=O)CNC(=O)c1c[n-]c2ccccc2c1=O)[C@@H]1CN2CCC1CC2 ZINC000600514942 491866770 /nfs/dbraw/zinc/86/67/70/491866770.db2.gz YDRGINSBHOYKLM-QGZVFWFLSA-N -1 3 368.437 0.811 10 0 FCAEHM COC(=O)[C@](C)(CCF)[N-]S(=O)(=O)CCC(C)(C)S(C)(=O)=O ZINC000594865197 491867978 /nfs/dbraw/zinc/86/79/78/491867978.db2.gz JDYWFPQQQHFFOX-LBPRGKRZSA-N -1 3 361.457 0.410 10 0 FCAEHM O=c1[n-]c(=O)n(Cc2cc3n(n2)CCC3)cc1I ZINC000594900955 491871776 /nfs/dbraw/zinc/87/17/76/491871776.db2.gz WIWDJWYMJINCIV-UHFFFAOYSA-N -1 3 358.139 0.745 10 0 FCAEHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]CCc2nnc3n2CCC3)c1 ZINC000611768402 491873265 /nfs/dbraw/zinc/87/32/65/491873265.db2.gz MCNBZFLOGCGNMR-UHFFFAOYSA-N -1 3 368.390 0.671 10 0 FCAEHM COC(=O)[C@@H]1CN(C(=O)c2c[n-]c3cc(OC)ccc3c2=O)C[C@@H](C)O1 ZINC000600837573 491886146 /nfs/dbraw/zinc/88/61/46/491886146.db2.gz YVERNWGBJLIYDS-BMIGLBTASA-N -1 3 360.366 0.939 10 0 FCAEHM CNS(=O)(=O)CCCS(=O)(=O)c1nc(CCC2CCCC2)n[n-]1 ZINC000595031366 491879422 /nfs/dbraw/zinc/87/94/22/491879422.db2.gz NMRDGHCJOFXIBE-UHFFFAOYSA-N -1 3 364.493 0.641 10 0 FCAEHM CNS(=O)(=O)CCCS(=O)(=O)c1nnc(CCC2CCCC2)[n-]1 ZINC000595031366 491879423 /nfs/dbraw/zinc/87/94/23/491879423.db2.gz NMRDGHCJOFXIBE-UHFFFAOYSA-N -1 3 364.493 0.641 10 0 FCAEHM COC(=O)C12CC(C1)CN2C(=O)C(=O)[N-]c1nccn1-c1ccccc1 ZINC000595132032 491888034 /nfs/dbraw/zinc/88/80/34/491888034.db2.gz JBADVJIGRVCXPW-UHFFFAOYSA-N -1 3 354.366 0.975 10 0 FCAEHM CCc1noc(-c2ccc(CCNC(=O)CN3CC(=O)[N-]C3=O)cc2)n1 ZINC000600991938 491891839 /nfs/dbraw/zinc/89/18/39/491891839.db2.gz FVMSSBSKLBCTON-UHFFFAOYSA-N -1 3 357.370 0.510 10 0 FCAEHM O=C(c1cnc2n1CCOC2)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000612383534 491913575 /nfs/dbraw/zinc/91/35/75/491913575.db2.gz XXJYIAZYZBHSOO-UHFFFAOYSA-N -1 3 356.382 0.717 10 0 FCAEHM COC(=O)[C@]1(NCc2nc(=O)n(C)[n-]2)CCCN(Cc2ccccc2)C1 ZINC000612453181 491919874 /nfs/dbraw/zinc/91/98/74/491919874.db2.gz WDUDKXXTNNQIBC-SFHVURJKSA-N -1 3 359.430 0.406 10 0 FCAEHM COC(=O)[C@@]1([N-]S(=O)(=O)[C@@H]2CC(=O)N(C3CC3)C2)CC[C@@H](C)CC1 ZINC000601462796 491923661 /nfs/dbraw/zinc/92/36/61/491923661.db2.gz CMYGCMHUBCTADO-AXAPSJFSSA-N -1 3 358.460 0.791 10 0 FCAEHM C[C@@H](C(=O)NC(=O)NC1CCCCC1)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000595886729 491959383 /nfs/dbraw/zinc/95/93/83/491959383.db2.gz ZQTCGAFZCSMKFS-XWCIJXRUSA-N -1 3 353.419 0.566 10 0 FCAEHM COC(=O)[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)C1 ZINC000596815737 492001172 /nfs/dbraw/zinc/00/11/72/492001172.db2.gz JLVSVKYMSRNEOX-YUTCNCBUSA-N -1 3 374.397 0.852 10 0 FCAEHM COc1cccc2c1n[n-]c2C(=O)Nc1nc(C)n(C)c1C(=O)NCCO ZINC000613982401 492007846 /nfs/dbraw/zinc/00/78/46/492007846.db2.gz NZECFOJKZKTBFI-UHFFFAOYSA-N -1 3 372.385 0.588 10 0 FCAEHM COc1cccc2c(C(=O)Nc3nc(C)n(C)c3C(=O)NCCO)n[n-]c21 ZINC000613982401 492007848 /nfs/dbraw/zinc/00/78/48/492007848.db2.gz NZECFOJKZKTBFI-UHFFFAOYSA-N -1 3 372.385 0.588 10 0 FCAEHM Nc1c(C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)cnn1-c1ccccc1 ZINC000614198301 492019367 /nfs/dbraw/zinc/01/93/67/492019367.db2.gz IVGACYPFECGJOC-QGZVFWFLSA-N -1 3 354.370 0.269 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NC[C@H]1CN2CCN1CCC2 ZINC000614510616 492035034 /nfs/dbraw/zinc/03/50/34/492035034.db2.gz BNJQBBLICYJVIM-ZDUSSCGKSA-N -1 3 370.457 0.671 10 0 FCAEHM COC(=O)CCS(=O)(=O)Nc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000603624692 492039202 /nfs/dbraw/zinc/03/92/02/492039202.db2.gz YMHSYWRSEHRWIF-CQSZACIVSA-N -1 3 355.372 0.046 10 0 FCAEHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Cc3cnnn3C)c2)[n-]1 ZINC000597579737 492048999 /nfs/dbraw/zinc/04/89/99/492048999.db2.gz FWSHADBOSHZNGC-UHFFFAOYSA-N -1 3 369.385 0.636 10 0 FCAEHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Cc3cnnn3C)c2)n[n-]1 ZINC000597579737 492049001 /nfs/dbraw/zinc/04/90/01/492049001.db2.gz FWSHADBOSHZNGC-UHFFFAOYSA-N -1 3 369.385 0.636 10 0 FCAEHM COC(=O)c1cc(C(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)[N-]C2=O)c(C)o1 ZINC000597650657 492056306 /nfs/dbraw/zinc/05/63/06/492056306.db2.gz ZGDJSUWHHZCQQN-QGHHPUGFSA-N -1 3 363.370 0.967 10 0 FCAEHM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC(CN2CCOCC2)C1 ZINC000615145689 492075706 /nfs/dbraw/zinc/07/57/06/492075706.db2.gz FARKAQNVVJTAJC-UHFFFAOYSA-N -1 3 359.430 0.385 10 0 FCAEHM COC(=O)C12CC(C1)CN2C(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000598061453 492082300 /nfs/dbraw/zinc/08/23/00/492082300.db2.gz ZRNJIJUDCUQVQA-VKTHNJLYSA-N -1 3 357.366 0.519 10 0 FCAEHM COC(=O)C12CC(C1)CN2C(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000598058354 492082439 /nfs/dbraw/zinc/08/24/39/492082439.db2.gz BFQSFKFSSGRDTD-VKTHNJLYSA-N -1 3 357.366 0.519 10 0 FCAEHM CCOC(=O)C12CC(C1)CN2C(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000598444118 492098585 /nfs/dbraw/zinc/09/85/85/492098585.db2.gz OHONKABIUJZEKY-ONAFVYFWSA-N -1 3 371.393 0.909 10 0 FCAEHM CC(C)(C)OC(=O)[C@@H](CNC(=O)CC[C@H]1NC(=O)[N-]C1=O)C1CCC1 ZINC000598575872 492105204 /nfs/dbraw/zinc/10/52/04/492105204.db2.gz DYTYQMXEJMHNDQ-NWDGAFQWSA-N -1 3 353.419 0.849 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)c2ccc(OCC(F)F)nc2)[n-]1 ZINC000615920129 492107542 /nfs/dbraw/zinc/10/75/42/492107542.db2.gz RDAOCVWYRUOZOV-UHFFFAOYSA-N -1 3 355.301 0.950 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)[n-]1 ZINC000615919370 492107681 /nfs/dbraw/zinc/10/76/81/492107681.db2.gz GQULAKQDFAMEQL-LLVKDONJSA-N -1 3 365.434 0.882 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)CCn2cnc3ccccc3c2=O)[n-]1 ZINC000615919840 492108085 /nfs/dbraw/zinc/10/80/85/492108085.db2.gz NFKWEFUCAALBLQ-UHFFFAOYSA-N -1 3 370.369 0.398 10 0 FCAEHM C[C@H]1CCCN(Cc2cc(=O)n3nc(N)[n-]c3n2)[C@H]1C(=O)OC(C)(C)C ZINC000598623644 492109695 /nfs/dbraw/zinc/10/96/95/492109695.db2.gz ZSBYSUXQJQUICP-GXFFZTMASA-N -1 3 362.434 0.772 10 0 FCAEHM CCOC(=O)[C@H](NCc1cc(=O)n2nc(N)[n-]c2n1)C1CCCCCC1 ZINC000598622712 492109729 /nfs/dbraw/zinc/10/97/29/492109729.db2.gz NWUOMBCIOHPFCX-CQSZACIVSA-N -1 3 362.434 0.822 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)[n-]1 ZINC000616030210 492114874 /nfs/dbraw/zinc/11/48/74/492114874.db2.gz XOWBXMRIDGPJAS-SECBINFHSA-N -1 3 363.340 0.872 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CCOC[C@H]1C(F)(F)F ZINC000606856458 492131926 /nfs/dbraw/zinc/13/19/26/492131926.db2.gz SEZJXBRGMPQPEN-QMMMGPOBSA-N -1 3 358.363 0.816 10 0 FCAEHM COC(=O)[C@@H](O)C(C)(C)[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1F ZINC000616442319 492132506 /nfs/dbraw/zinc/13/25/06/492132506.db2.gz WXPIBAXWOKJALQ-GFCCVEGCSA-N -1 3 362.379 0.375 10 0 FCAEHM CCc1cc(NC(=O)C(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)no1 ZINC000606994501 492134796 /nfs/dbraw/zinc/13/47/96/492134796.db2.gz ICOPBYPJHBBTDR-UHFFFAOYSA-N -1 3 372.381 0.866 10 0 FCAEHM CC(C)[C@H]([N-]S(=O)(=O)CCCS(C)(=O)=O)c1nc(C2CC2)no1 ZINC000607159296 492139542 /nfs/dbraw/zinc/13/95/42/492139542.db2.gz MUJNYFAAEKQWGX-NSHDSACASA-N -1 3 365.477 0.998 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@H]2CC(=O)N(C(C)C)C2)on1 ZINC000599227020 492145652 /nfs/dbraw/zinc/14/56/52/492145652.db2.gz NVUPSSXHURAFQW-JTQLQIEISA-N -1 3 359.404 0.280 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]C[C@@H](O)C2CCOCC2)on1 ZINC000599239418 492147196 /nfs/dbraw/zinc/14/71/96/492147196.db2.gz CDZKETKJUBRGHB-CYBMUJFWSA-N -1 3 362.404 0.058 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]CCn2cnnc2CC)on1 ZINC000599252529 492149383 /nfs/dbraw/zinc/14/93/83/492149383.db2.gz ILFZLCQRJKUMGY-UHFFFAOYSA-N -1 3 357.392 0.125 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H]2CCC[C@H]2C(=O)NC)on1 ZINC000599269071 492151956 /nfs/dbraw/zinc/15/19/56/492151956.db2.gz MTNCYYPAKRJOPN-GHMZBOCLSA-N -1 3 359.404 0.185 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H]2C[C@@H](OCC)[C@@H]2OC)on1 ZINC000599279997 492153781 /nfs/dbraw/zinc/15/37/81/492153781.db2.gz SMOOJEAZILYUMP-RAIGVLPGSA-N -1 3 362.404 0.463 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@H](CCO)c2ccco2)on1 ZINC000599279545 492153941 /nfs/dbraw/zinc/15/39/41/492153941.db2.gz UKXXINZZTNTDIO-LLVKDONJSA-N -1 3 358.372 0.987 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H]2C[C@H](OCC)[C@@H]2OC)on1 ZINC000599279993 492153952 /nfs/dbraw/zinc/15/39/52/492153952.db2.gz SMOOJEAZILYUMP-KGYLQXTDSA-N -1 3 362.404 0.463 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]C[C@H](OC)[C@H]2CCOC2)on1 ZINC000599338471 492162337 /nfs/dbraw/zinc/16/23/37/492162337.db2.gz SATAOHYLNWVQJM-GWCFXTLKSA-N -1 3 362.404 0.322 10 0 FCAEHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@@H](O)[C@@H]2CCCO2)c1 ZINC000599392464 492167477 /nfs/dbraw/zinc/16/74/77/492167477.db2.gz SVLLPZJYOOQBEP-KGLIPLIRSA-N -1 3 361.391 0.821 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCc1nnnn1C1CC1 ZINC000608196236 492167936 /nfs/dbraw/zinc/16/79/36/492167936.db2.gz OWCWPVLFZNOLCP-VIFPVBQESA-N -1 3 368.394 0.130 10 0 FCAEHM C[C@@H]1C[C@@H](NC(=O)c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)c2ncnn21 ZINC000617440032 492168415 /nfs/dbraw/zinc/16/84/15/492168415.db2.gz MCXIIOPNOXJNQF-KSYCPYKJSA-N -1 3 354.370 0.769 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-][C@H](Cc2cccc(OC)c2)C(=O)OC)c1 ZINC000599403426 492168430 /nfs/dbraw/zinc/16/84/30/492168430.db2.gz DEUHCSBHNUPZMQ-CQSZACIVSA-N -1 3 367.427 0.974 10 0 FCAEHM COC(=O)[C@H](Cc1cccc(OC)c1)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000599403211 492168661 /nfs/dbraw/zinc/16/86/61/492168661.db2.gz CXRRCEBLIPNWKS-HIFRSBDPSA-N -1 3 357.428 0.735 10 0 FCAEHM C[C@@H]1C[C@@H](NC(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)c2ncnn21 ZINC000617443190 492168703 /nfs/dbraw/zinc/16/87/03/492168703.db2.gz WNMXSHQZQRCMIU-OGTWGDGJSA-N -1 3 354.370 0.769 10 0 FCAEHM COC(=O)[C@H](Cc1cccc(OC)c1)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000599403213 492168718 /nfs/dbraw/zinc/16/87/18/492168718.db2.gz CXRRCEBLIPNWKS-ZFWWWQNUSA-N -1 3 357.428 0.735 10 0 FCAEHM COC(=O)CCNC(=O)CC[N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C ZINC000599476629 492178083 /nfs/dbraw/zinc/17/80/83/492178083.db2.gz CUQOKCCOOYUTIU-LLVKDONJSA-N -1 3 372.447 0.128 10 0 FCAEHM COC(=O)CCNC(=O)CC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000599476461 492178129 /nfs/dbraw/zinc/17/81/29/492178129.db2.gz VPUIKIHKZOXEGQ-UHFFFAOYSA-N -1 3 350.343 0.313 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-][C@@H]2CCO[C@@H]2c2nc(C)no2)CCCC1 ZINC000599515117 492182598 /nfs/dbraw/zinc/18/25/98/492182598.db2.gz NWDRAVGKCXBHPV-NEPJUHHUSA-N -1 3 373.431 0.861 10 0 FCAEHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H]2CCN(C3CCC3)C2=O)c1 ZINC000599524810 492183491 /nfs/dbraw/zinc/18/34/91/492183491.db2.gz CQDAVJJGNMMACS-LLVKDONJSA-N -1 3 358.441 0.966 10 0 FCAEHM CO[C@]1(CO)CCCN(C(=O)c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)C1 ZINC000617799293 492192395 /nfs/dbraw/zinc/19/23/95/492192395.db2.gz QGJBNLGWOMZVJS-QZTJIDSGSA-N -1 3 361.398 0.355 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)NCCO[C@@H]1CC1(F)F ZINC000618126766 492211406 /nfs/dbraw/zinc/21/14/06/492211406.db2.gz VLSYYIYCANVCIU-CYBMUJFWSA-N -1 3 365.336 0.798 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)N[C@@H]2CC[C@H](C)S(=O)(=O)C2)c([O-])c1 ZINC000618324435 492224243 /nfs/dbraw/zinc/22/42/43/492224243.db2.gz VPEZKOWSJQHALJ-QWHCGFSZSA-N -1 3 368.455 0.902 10 0 FCAEHM CCn1nc(C(=O)Nc2nnc(CC(=O)OC)[n-]2)c(=O)c2ccccc21 ZINC000609879617 492225937 /nfs/dbraw/zinc/22/59/37/492225937.db2.gz JYTILBRWFRMRIU-UHFFFAOYSA-N -1 3 356.342 0.502 10 0 FCAEHM CCn1nc(C(=O)Nc2nc(CC(=O)OC)n[n-]2)c(=O)c2ccccc21 ZINC000609879617 492225940 /nfs/dbraw/zinc/22/59/40/492225940.db2.gz JYTILBRWFRMRIU-UHFFFAOYSA-N -1 3 356.342 0.502 10 0 FCAEHM CCn1nc(C(=O)Nc2n[n-]c(CC(=O)OC)n2)c(=O)c2ccccc21 ZINC000609879617 492225942 /nfs/dbraw/zinc/22/59/42/492225942.db2.gz JYTILBRWFRMRIU-UHFFFAOYSA-N -1 3 356.342 0.502 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)NC[C@H]2CCC[C@H](C)O2)cn1C ZINC000618576663 492231648 /nfs/dbraw/zinc/23/16/48/492231648.db2.gz PMTIYICSQHYGLR-WCQYABFASA-N -1 3 358.464 0.471 10 0 FCAEHM C[C@@]12COC[C@@H]1CN(C(=O)Cn1cc(Br)c(=O)[n-]c1=O)C2 ZINC000618727581 492236675 /nfs/dbraw/zinc/23/66/75/492236675.db2.gz XVZMACOUSJFWLY-ISVAXAHUSA-N -1 3 358.192 0.206 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)Nc1cccc2c1CCN(C)C2=O ZINC000618897602 492242396 /nfs/dbraw/zinc/24/23/96/492242396.db2.gz HDFSBMLVFROXTN-UHFFFAOYSA-N -1 3 369.443 0.209 10 0 FCAEHM COC[C@@]1(C)CN(C(=O)C(=O)[N-]c2sccc2C(=O)OC)CCO1 ZINC000600098210 492244865 /nfs/dbraw/zinc/24/48/65/492244865.db2.gz HQCCRVPBXZTKKH-OAHLLOKOSA-N -1 3 356.400 0.737 10 0 FCAEHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H]2CCN(CC)C2=O)c1 ZINC000619797417 492278625 /nfs/dbraw/zinc/27/86/25/492278625.db2.gz BIAWNYQMWQIIEU-CYBMUJFWSA-N -1 3 358.391 0.902 10 0 FCAEHM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000619968943 492284851 /nfs/dbraw/zinc/28/48/51/492284851.db2.gz OBSFJGMTYFVUGI-GHMZBOCLSA-N -1 3 364.402 0.270 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](N(C)C(=O)N(C)C)C2)c(C)o1 ZINC000619980919 492285373 /nfs/dbraw/zinc/28/53/73/492285373.db2.gz CTPQVKTWDWWMSE-LLVKDONJSA-N -1 3 372.447 0.324 10 0 FCAEHM C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)C[C@H]1C(=O)[O-] ZINC000647501295 492298052 /nfs/dbraw/zinc/29/80/52/492298052.db2.gz RWAUNPYFRLZBPY-UKRRQHHQSA-N -1 3 360.414 0.299 10 0 FCAEHM C[C@H](CC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1)NC(N)=O ZINC000654422711 492300863 /nfs/dbraw/zinc/30/08/63/492300863.db2.gz MEWNSSYUBOVBGS-SNVBAGLBSA-N -1 3 374.488 0.464 10 0 FCAEHM CO[C@@H]1CN(C(=O)CC[N-]S(=O)(=O)c2ccccc2F)[C@](C)(CO)C1 ZINC000634061643 492317542 /nfs/dbraw/zinc/31/75/42/492317542.db2.gz RLMHLNRTEYCQGF-LRDDRELGSA-N -1 3 374.434 0.492 10 0 FCAEHM CN(C(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)[C@@H]1CCCCN(C)C1=O ZINC000634139621 492320795 /nfs/dbraw/zinc/32/07/95/492320795.db2.gz DUDDMCBDKDXFSE-KUHUBIRLSA-N -1 3 372.425 0.824 10 0 FCAEHM CN(C(=O)C[N-]S(=O)(=O)c1cccs1)[C@H]1CCCCN(C)C1=O ZINC000634144164 492321905 /nfs/dbraw/zinc/32/19/05/492321905.db2.gz UIUDFVXTFYGJSJ-NSHDSACASA-N -1 3 359.473 0.496 10 0 FCAEHM CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2[nH]c(=O)[n-]c(=O)c2N)C1 ZINC000620722321 492325730 /nfs/dbraw/zinc/32/57/30/492325730.db2.gz DIRXIBLLYJPBDO-ZDUSSCGKSA-N -1 3 372.429 0.016 10 0 FCAEHM C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)C[C@H]1C(=O)[O-] ZINC000647588161 492327132 /nfs/dbraw/zinc/32/71/32/492327132.db2.gz IMDMHFJANSIRLC-MGPQQGTHSA-N -1 3 353.463 0.792 10 0 FCAEHM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000647607058 492334234 /nfs/dbraw/zinc/33/42/34/492334234.db2.gz ZUGODISCNSVAQC-SECBINFHSA-N -1 3 359.404 0.027 10 0 FCAEHM C[C@]1(c2ccc(C(=O)N3CC[C@@H](N4CCC4)[C@@H](F)C3)cc2)NC(=O)[N-]C1=O ZINC000647628058 492338731 /nfs/dbraw/zinc/33/87/31/492338731.db2.gz FJDZWBCLTTXLJK-QMTMVMCOSA-N -1 3 374.416 1.000 10 0 FCAEHM CC[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)C[C@H](C)N1 ZINC000620907362 492343103 /nfs/dbraw/zinc/34/31/03/492343103.db2.gz OJBIDGVBGGPXPN-WDEREUQCSA-N -1 3 361.414 0.842 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)NC[C@H]2CN3CCN2CCC3)c([O-])c1 ZINC000647678983 492343721 /nfs/dbraw/zinc/34/37/21/492343721.db2.gz INAHEVNHAJWDEL-HNNXBMFYSA-N -1 3 360.458 0.327 10 0 FCAEHM CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)c1c[n-]n2c1nccc2=O ZINC000620912624 492344584 /nfs/dbraw/zinc/34/45/84/492344584.db2.gz PVBHQLXAYPLSAM-ZDUSSCGKSA-N -1 3 359.430 0.738 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N(CCn1ccnc1)C1CCSCC1 ZINC000647692025 492345702 /nfs/dbraw/zinc/34/57/02/492345702.db2.gz GLNHDRLBYMUSBL-UHFFFAOYSA-N -1 3 351.432 0.159 10 0 FCAEHM O=C(N[C@@H](Cc1ccccc1)c1ncco1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000654753070 492347197 /nfs/dbraw/zinc/34/71/97/492347197.db2.gz WYLGHPNCXOCSRQ-UONOGXRCSA-N -1 3 369.381 0.904 10 0 FCAEHM Cc1nnc(CC[N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)n1C ZINC000634658440 492359669 /nfs/dbraw/zinc/35/96/69/492359669.db2.gz IYDGGZHKXNZJAX-UHFFFAOYSA-N -1 3 352.342 0.397 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N[C@@H](C2CC2)[C@@H]2CCCCO2)c1 ZINC000655224789 492416780 /nfs/dbraw/zinc/41/67/80/492416780.db2.gz XDIAGUGJQGWANS-WFASDCNBSA-N -1 3 356.448 0.162 10 0 FCAEHM C[C@]1(c2cccc(C(=O)N3CCN(CCCF)CC3)c2)NC(=O)[N-]C1=O ZINC000627960008 492427182 /nfs/dbraw/zinc/42/71/82/492427182.db2.gz JSYHUJAGVBMYBK-GOSISDBHSA-N -1 3 362.405 0.859 10 0 FCAEHM C[C@@]1(c2cccc(C(=O)N3CCN(CCCF)CC3)c2)NC(=O)[N-]C1=O ZINC000627960009 492427476 /nfs/dbraw/zinc/42/74/76/492427476.db2.gz JSYHUJAGVBMYBK-SFHVURJKSA-N -1 3 362.405 0.859 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655298940 492429960 /nfs/dbraw/zinc/42/99/60/492429960.db2.gz FZXUOPUNZSFHNI-NWDGAFQWSA-N -1 3 357.414 0.442 10 0 FCAEHM COc1ccc2c(c1)[n-]cc(C(=O)N1CCN(c3nncn3C)CC1)c2=O ZINC000655410171 492441185 /nfs/dbraw/zinc/44/11/85/492441185.db2.gz UHBHKNMOSPWYCL-UHFFFAOYSA-N -1 3 368.397 0.628 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)N1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000622080738 492451261 /nfs/dbraw/zinc/45/12/61/492451261.db2.gz OQLAQACNOQNIPK-UPJWGTAASA-N -1 3 374.484 0.415 10 0 FCAEHM CC[C@H](COCC1CC1)NC(=O)C[N-]S(=O)(=O)c1c(C)noc1C ZINC000622136909 492458024 /nfs/dbraw/zinc/45/80/24/492458024.db2.gz ZQJXSNJOJPAATC-CYBMUJFWSA-N -1 3 359.448 0.891 10 0 FCAEHM CO[C@@H]1CCC[C@H]([C@H](CO)NC(=O)CNC(=O)c2ccc([O-])cc2)C1 ZINC000622138310 492458618 /nfs/dbraw/zinc/45/86/18/492458618.db2.gz OKCRCXMMFMBTRY-IMJJTQAJSA-N -1 3 350.415 0.804 10 0 FCAEHM COCC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)CC1 ZINC000655639797 492469452 /nfs/dbraw/zinc/46/94/52/492469452.db2.gz ZOJGFCNQRYKBNX-UHFFFAOYSA-N -1 3 362.835 0.909 10 0 FCAEHM NC(=O)c1cc(F)ccc1N1CCN(C(=O)Cc2cncc([O-])c2)CC1 ZINC000622245892 492469739 /nfs/dbraw/zinc/46/97/39/492469739.db2.gz WZXMVHKQVHUAOZ-UHFFFAOYSA-N -1 3 358.373 0.917 10 0 FCAEHM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655880281 492483370 /nfs/dbraw/zinc/48/33/70/492483370.db2.gz VJVNGJKOTOUCDI-YESZJQIVSA-N -1 3 361.442 0.923 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)cn1C ZINC000628294411 492491594 /nfs/dbraw/zinc/49/15/94/492491594.db2.gz RHDYMZRWHCFCLQ-MCIONIFRSA-N -1 3 354.476 0.949 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCO[C@@H](c2c(F)cccc2Cl)C1 ZINC000649205063 492509769 /nfs/dbraw/zinc/50/97/69/492509769.db2.gz SHKGGJVELVUBNN-WDEREUQCSA-N -1 3 355.753 0.977 10 0 FCAEHM COCCN(CCN(C)C)C(=O)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656017376 492518169 /nfs/dbraw/zinc/51/81/69/492518169.db2.gz PSBVGTJQMGDBCK-HZSPNIEDSA-N -1 3 371.478 0.275 10 0 FCAEHM COC1(CS(=O)(=O)[N-][C@H]2c3ccccc3CN(C)C2=O)CCOCC1 ZINC000623240444 492532725 /nfs/dbraw/zinc/53/27/25/492532725.db2.gz LIFALDPLMSTEHW-HNNXBMFYSA-N -1 3 368.455 0.815 10 0 FCAEHM COc1cccc(C(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)c1[O-] ZINC000628732278 492540728 /nfs/dbraw/zinc/54/07/28/492540728.db2.gz NKBLVGKGCOMVPB-NSHDSACASA-N -1 3 354.370 0.847 10 0 FCAEHM COc1ccc([O-])c(C(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)c1 ZINC000628730599 492540792 /nfs/dbraw/zinc/54/07/92/492540792.db2.gz CNGCUBBFMLMHBF-LLVKDONJSA-N -1 3 354.370 0.847 10 0 FCAEHM C[C@@H]1[C@H](NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CCS1(=O)=O ZINC000628938954 492568661 /nfs/dbraw/zinc/56/86/61/492568661.db2.gz MDZMWBBUAURNBM-MRVWCRGKSA-N -1 3 366.439 0.689 10 0 FCAEHM CCO[C@H](CS(=O)(=O)[N-]c1cccc(NC(=O)C(N)=O)c1)C1CC1 ZINC000629301717 492604954 /nfs/dbraw/zinc/60/49/54/492604954.db2.gz WOMFEQXHYGETDM-CYBMUJFWSA-N -1 3 355.416 0.667 10 0 FCAEHM O=S(=O)([N-]CC(F)F)c1cccc(S(=O)(=O)N2CC[C@H](F)C2)c1 ZINC000656370443 492615127 /nfs/dbraw/zinc/61/51/27/492615127.db2.gz BCFLWAFGSSFIAV-VIFPVBQESA-N -1 3 372.390 0.963 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)NCC[C@]2(O)CCOC2)ccc1F ZINC000650191403 492620952 /nfs/dbraw/zinc/62/09/52/492620952.db2.gz UYGBEOAWVVDARL-AWEZNQCLSA-N -1 3 361.395 0.397 10 0 FCAEHM C[C@@]1(c2cccc(NC(=O)c3cn4c(n3)COCC4)c2)NC(=O)[N-]C1=O ZINC000624146922 492623624 /nfs/dbraw/zinc/62/36/24/492623624.db2.gz ODXPBUCGYOWDJI-KRWDZBQOSA-N -1 3 355.354 0.720 10 0 FCAEHM C[C@]12COC[C@@H]1CN([C@@H]1CC(=O)N(Cc3ccc(C(=O)[O-])cc3)C1=O)C2 ZINC000656479551 492624809 /nfs/dbraw/zinc/62/48/09/492624809.db2.gz ZABFUYQWKIRMQC-KHYOSLBOSA-N -1 3 358.394 0.981 10 0 FCAEHM CN(C)S(=O)(=O)N1CC(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000629527849 492639170 /nfs/dbraw/zinc/63/91/70/492639170.db2.gz HSEUGRIASRENDY-UHFFFAOYSA-N -1 3 367.349 0.631 10 0 FCAEHM CN(C)S(=O)(=O)N1CC(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)C1 ZINC000629533360 492640528 /nfs/dbraw/zinc/64/05/28/492640528.db2.gz WGYXORWBKAPEQG-UHFFFAOYSA-N -1 3 369.443 0.326 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(N2CCOCC2)cn1)[C@@H]1CCOC1 ZINC000656728528 492646253 /nfs/dbraw/zinc/64/62/53/492646253.db2.gz WDUMNQHHFKWVMD-HIFRSBDPSA-N -1 3 371.459 0.711 10 0 FCAEHM COCCOc1ccc([N-]S(=O)(=O)C[C@@H](OC)[C@@H]2CCOC2)cn1 ZINC000656727958 492646823 /nfs/dbraw/zinc/64/68/23/492646823.db2.gz RBXVTYOVBYUJSE-TZMCWYRMSA-N -1 3 360.432 0.900 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]C[C@H]1COc2ccccc2O1)[C@H]1CCOC1 ZINC000656862115 492653539 /nfs/dbraw/zinc/65/35/39/492653539.db2.gz ZBGPQXDBDRLZOL-HEHGZKQESA-N -1 3 357.428 0.797 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]CC(=O)N1CCc2ccccc21)[C@@H]1CCOC1 ZINC000656892729 492661727 /nfs/dbraw/zinc/66/17/27/492661727.db2.gz SORBZQURSRZUAH-GDBMZVCRSA-N -1 3 368.455 0.547 10 0 FCAEHM NC(C(=O)N[C@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O)C(F)(F)F ZINC000650784605 492668332 /nfs/dbraw/zinc/66/83/32/492668332.db2.gz NVXFEEOTPISNKQ-HBNTYKKESA-N -1 3 359.304 0.419 10 0 FCAEHM COC1CCN(S(=O)(=O)[N-][C@H]2CCCN(c3cccnc3)C2=O)CC1 ZINC000656955726 492677655 /nfs/dbraw/zinc/67/76/55/492677655.db2.gz JTCTVQNMJKHNKI-HNNXBMFYSA-N -1 3 368.459 0.522 10 0 FCAEHM CN1CC[C@](O)(C[N-]S(=O)(=O)c2ncccc2Br)C1 ZINC000656960657 492679290 /nfs/dbraw/zinc/67/92/90/492679290.db2.gz MFVKFJXESPEQPT-NSHDSACASA-N -1 3 350.238 0.189 10 0 FCAEHM CCO[C@@H]1C[C@](O)(C[N-]S(=O)(=O)C[C@@H](OC)[C@H]2CCOC2)C1(C)C ZINC000656970551 492682172 /nfs/dbraw/zinc/68/21/72/492682172.db2.gz OKDJZPHQKVYPMM-NHIYQJMISA-N -1 3 365.492 0.523 10 0 FCAEHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)C[C@H](OC)[C@@H]2CCOC2)[C@H]1n1cccn1 ZINC000656998200 492690486 /nfs/dbraw/zinc/69/04/86/492690486.db2.gz PJRLLUYWXNBINW-DGADGQDISA-N -1 3 373.475 0.573 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]C1(C(=O)N(C)C)CCCCC1)[C@@H]1CCOC1 ZINC000657003528 492691361 /nfs/dbraw/zinc/69/13/61/492691361.db2.gz RURCRAXIXNIXIQ-KGLIPLIRSA-N -1 3 362.492 0.748 10 0 FCAEHM Cn1nccc1[C@@H](CO)[N-]S(=O)(=O)c1ncccc1Br ZINC000657010670 492693072 /nfs/dbraw/zinc/69/30/72/492693072.db2.gz LWQVNNIJKYUREA-SECBINFHSA-N -1 3 361.221 0.590 10 0 FCAEHM O=C(NCc1ncccc1[O-])NC[C@H]1CN(Cc2ccncc2)CCO1 ZINC000624929716 492698386 /nfs/dbraw/zinc/69/83/86/492698386.db2.gz GEIWMCASRYOMLX-HNNXBMFYSA-N -1 3 357.414 0.882 10 0 FCAEHM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](CO)C1CCC1 ZINC000657054352 492705092 /nfs/dbraw/zinc/70/50/92/492705092.db2.gz KQWDJNCOYWTONP-LBPRGKRZSA-N -1 3 362.473 0.376 10 0 FCAEHM CN1c2ccccc2C[C@@H]([N-]S(=O)(=O)c2cnn3c2OCCC3)C1=O ZINC000657070203 492709614 /nfs/dbraw/zinc/70/96/14/492709614.db2.gz CRRZGCCLTBPDPH-GFCCVEGCSA-N -1 3 362.411 0.532 10 0 FCAEHM O=S(=O)([N-]C[C@]1(OCCO)CCOC1)c1cnccc1C(F)(F)F ZINC000657087349 492712769 /nfs/dbraw/zinc/71/27/69/492712769.db2.gz RIMLTBRCSRKPHS-GFCCVEGCSA-N -1 3 370.349 0.547 10 0 FCAEHM CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-][C@@H]1CCCN(C)C1=O ZINC000625045522 492715211 /nfs/dbraw/zinc/71/52/11/492715211.db2.gz VRNJTDUTSJKANC-LSDHHAIUSA-N -1 3 358.435 0.923 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]C[C@]1(OCCO)CCOC1)C1CCCC1 ZINC000657091723 492715620 /nfs/dbraw/zinc/71/56/20/492715620.db2.gz TYERFBOVEDLANQ-LSDHHAIUSA-N -1 3 351.465 0.279 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCC(=O)CC(C)(C)C1 ZINC000630023046 492718573 /nfs/dbraw/zinc/71/85/73/492718573.db2.gz SBLRFJMVTROMER-UHFFFAOYSA-N -1 3 357.432 0.787 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCN(S(C)(=O)=O)C2)c(F)c1F ZINC000625083116 492721409 /nfs/dbraw/zinc/72/14/09/492721409.db2.gz IIQKCFDFNGGZDR-JTQLQIEISA-N -1 3 368.427 0.833 10 0 FCAEHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(CCF)CCOC ZINC000657115461 492723819 /nfs/dbraw/zinc/72/38/19/492723819.db2.gz CASZHSVPUIWRTD-UHFFFAOYSA-N -1 3 368.452 0.591 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CCO[C@H]1CC1(F)F ZINC000657116856 492723976 /nfs/dbraw/zinc/72/39/76/492723976.db2.gz DQWGVIYRAIKXHV-NSHDSACASA-N -1 3 355.384 0.793 10 0 FCAEHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)CC2(OCC)CCOCC2)[C@@H]1OC ZINC000625118410 492726548 /nfs/dbraw/zinc/72/65/48/492726548.db2.gz ITVXWYJZTLEBOE-MJBXVCDLSA-N -1 3 351.465 0.684 10 0 FCAEHM CCOCCOC[C@@H](O)C[N-]S(=O)(=O)c1ccc(C)c(F)c1F ZINC000625155213 492731335 /nfs/dbraw/zinc/73/13/35/492731335.db2.gz WMDDLBKSUJEYAV-NSHDSACASA-N -1 3 353.387 0.966 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]Cc1nc(C(N)=O)cs1)C1CCOCC1 ZINC000657179297 492738285 /nfs/dbraw/zinc/73/82/85/492738285.db2.gz UIQZVCJAOQPLJC-NSHDSACASA-N -1 3 363.461 0.103 10 0 FCAEHM CS(=O)(=O)CCCS(=O)(=O)[N-]C[C@H](n1cccn1)C(F)(F)F ZINC000625330738 492757342 /nfs/dbraw/zinc/75/73/42/492757342.db2.gz QZCVOCVTABNSLE-VIFPVBQESA-N -1 3 363.383 0.341 10 0 FCAEHM CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-][C@@H]1CCC(=O)N(C)C1=O ZINC000625257671 492746978 /nfs/dbraw/zinc/74/69/78/492746978.db2.gz IBBXKBWSWYFPFZ-UONOGXRCSA-N -1 3 372.418 0.450 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]C[C@@]1(CO)COCC2(CCC2)N1C)C(C)C ZINC000625376015 492768207 /nfs/dbraw/zinc/76/82/07/492768207.db2.gz KNBWFBBJDGPGQB-GOEBONIOSA-N -1 3 364.508 0.193 10 0 FCAEHM CC(C)n1cnc(=NC(=O)C(=O)NC[C@]2(N(C)C)CCC[C@H](C)C2)[n-]1 ZINC000651530767 492775544 /nfs/dbraw/zinc/77/55/44/492775544.db2.gz GUADJAWOGSSBCH-GUYCJALGSA-N -1 3 350.467 0.846 10 0 FCAEHM Cc1ncc(S(=O)(=O)[N-][C@@H]2CCN(c3ccc4nncn4n3)C2)s1 ZINC000625421498 492778456 /nfs/dbraw/zinc/77/84/56/492778456.db2.gz SXRWMSORQIFVCO-SNVBAGLBSA-N -1 3 365.444 0.446 10 0 FCAEHM COC1(CS(=O)(=O)[N-]C[C@H](O)COc2ccccc2)CCOCC1 ZINC000651569660 492784083 /nfs/dbraw/zinc/78/40/83/492784083.db2.gz HEVQDOTXGVZABH-AWEZNQCLSA-N -1 3 359.444 0.541 10 0 FCAEHM CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N=c1ncn(C(C)C)[n-]1 ZINC000651575230 492785222 /nfs/dbraw/zinc/78/52/22/492785222.db2.gz VGBDHLLEVSVRRT-CQSZACIVSA-N -1 3 350.467 0.990 10 0 FCAEHM C/C=C\CNS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000625559582 492820926 /nfs/dbraw/zinc/82/09/26/492820926.db2.gz ANCFYGLFZIOHEW-XVWMLYKFSA-N -1 3 353.400 0.604 10 0 FCAEHM Cn1cnnc1S(=O)(=O)[N-]Cc1ccc(CN2CCOCC2)cc1 ZINC000631679943 492833900 /nfs/dbraw/zinc/83/39/00/492833900.db2.gz VLZMKBFXWVIXGE-UHFFFAOYSA-N -1 3 351.432 0.126 10 0 FCAEHM Cc1cc(S(=O)(=O)[N-]C2CN(S(=O)(=O)N(C)C)C2)sc1Cl ZINC000625626178 492846921 /nfs/dbraw/zinc/84/69/21/492846921.db2.gz ZIUIMWBULMCGOG-UHFFFAOYSA-N -1 3 373.909 0.479 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@@H](C)OCC12CCC2 ZINC000651879739 492838890 /nfs/dbraw/zinc/83/88/90/492838890.db2.gz DZNHCIFQPZUCRB-GFCCVEGCSA-N -1 3 374.484 0.927 10 0 FCAEHM O=C1NCCCC[C@@H]1[N-]S(=O)(=O)Cc1ncsc1Br ZINC000631733527 492844140 /nfs/dbraw/zinc/84/41/40/492844140.db2.gz HXICZMAAEYGCMV-ZETCQYMHSA-N -1 3 368.278 0.994 10 0 FCAEHM O=S(=O)([N-]C[C@H]1CN(Cc2ccncc2)CCO1)c1cscn1 ZINC000625621919 492844659 /nfs/dbraw/zinc/84/46/59/492844659.db2.gz YIPJMDUBTJJLKR-ZDUSSCGKSA-N -1 3 354.457 0.717 10 0 FCAEHM CN(Cc1ccccc1)C(=O)C[N-]S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000631775619 492851394 /nfs/dbraw/zinc/85/13/94/492851394.db2.gz BGUAJQQGJVTKTR-OAHLLOKOSA-N -1 3 365.455 0.328 10 0 FCAEHM COC1CCN(S(=O)(=O)[N-]C2(c3cc(C)no3)CCOCC2)CC1 ZINC000625654450 492852866 /nfs/dbraw/zinc/85/28/66/492852866.db2.gz ODOIKLOCDIFTAW-UHFFFAOYSA-N -1 3 359.448 0.934 10 0 FCAEHM CCN1C[C@@H](S(=O)(=O)[N-]CC(=O)N2CCCc3ccccc32)CC1=O ZINC000631793611 492854477 /nfs/dbraw/zinc/85/44/77/492854477.db2.gz AHFHQIIMFBPOIP-AWEZNQCLSA-N -1 3 365.455 0.506 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)c2ccc(Cn3cncn3)cc2)nc1=N ZINC000651979385 492857212 /nfs/dbraw/zinc/85/72/12/492857212.db2.gz NLLCEHTVAKKHIN-AWEZNQCLSA-N -1 3 352.402 0.845 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)Cn2ccc3ccccc3c2=O)nc1=N ZINC000651976749 492857530 /nfs/dbraw/zinc/85/75/30/492857530.db2.gz BVDNPLPKPLSWIB-AWEZNQCLSA-N -1 3 352.398 0.906 10 0 FCAEHM CC(C)O[C@]1(CS(=O)(=O)[N-][C@@H]2CCN(C3CCC3)C2=O)CCOC1 ZINC000625689599 492861870 /nfs/dbraw/zinc/86/18/70/492861870.db2.gz CDPLWNTWBUXVOY-GDBMZVCRSA-N -1 3 360.476 0.643 10 0 FCAEHM O=C1NCCC[C@@H]1[N-]S(=O)(=O)Cc1ncsc1Br ZINC000631848151 492862858 /nfs/dbraw/zinc/86/28/58/492862858.db2.gz OMHYEMQXAITISC-LURJTMIESA-N -1 3 354.251 0.604 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]CCNC(=O)C(C)(C)C ZINC000631864358 492865728 /nfs/dbraw/zinc/86/57/28/492865728.db2.gz LNEIUKSFPGIELK-UHFFFAOYSA-N -1 3 356.370 0.880 10 0 FCAEHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)C[C@@H]2CNCCO2)C(=O)N1c1ccccc1 ZINC000631924265 492887084 /nfs/dbraw/zinc/88/70/84/492887084.db2.gz QRKJUVAXCBXNFL-VHDGCEQUSA-N -1 3 353.444 0.088 10 0 FCAEHM O=S(=O)(C[C@@H]1CCC1(F)F)[N-]CCS(=O)(=O)NCC1CCC1 ZINC000631933383 492891378 /nfs/dbraw/zinc/89/13/78/492891378.db2.gz KJQAUTHQNAPVNN-NSHDSACASA-N -1 3 360.448 0.671 10 0 FCAEHM CCn1cnnc1CC[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000631986197 492904409 /nfs/dbraw/zinc/90/44/09/492904409.db2.gz UDLBTLYOQKQROO-UHFFFAOYSA-N -1 3 352.342 0.571 10 0 FCAEHM Cc1nn2cc(Br)cnc2c1S(=O)(=O)[N-]CC[C@H](C)O ZINC000632001073 492907077 /nfs/dbraw/zinc/90/70/77/492907077.db2.gz GPKSJBSQQFBXLS-ZETCQYMHSA-N -1 3 363.237 0.849 10 0 FCAEHM COC[C@@](C)(O)C[N-]S(=O)(=O)Cc1ncsc1Br ZINC000632011064 492910240 /nfs/dbraw/zinc/91/02/40/492910240.db2.gz MOPRFTFMZMKVQS-VIFPVBQESA-N -1 3 359.267 0.722 10 0 FCAEHM Cc1nn2cc(Br)cnc2c1S(=O)(=O)[N-][C@H](C)CCO ZINC000632015659 492911847 /nfs/dbraw/zinc/91/18/47/492911847.db2.gz SOLVVCRPBCXUNI-SSDOTTSWSA-N -1 3 363.237 0.849 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]CC(=O)NCC(F)(F)F)C1CCOCC1 ZINC000645479662 492912595 /nfs/dbraw/zinc/91/25/95/492912595.db2.gz RHYHJQBIIWODGU-SNVBAGLBSA-N -1 3 362.370 0.026 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-][C@@H]1CC(=O)N(C2CC2)C1 ZINC000632065571 492922149 /nfs/dbraw/zinc/92/21/49/492922149.db2.gz CIRNSODDGUVCGY-SSDOTTSWSA-N -1 3 352.338 0.481 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]C[C@H](O)COCC2CC2)coc1C(=O)N(C)C ZINC000645555981 492924806 /nfs/dbraw/zinc/92/48/06/492924806.db2.gz BLZOFUKSOACFEK-LBPRGKRZSA-N -1 3 360.432 0.356 10 0 FCAEHM CCNC(=O)C(C)(C)C[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000632127031 492935245 /nfs/dbraw/zinc/93/52/45/492935245.db2.gz KFEOAZWTYYWXKZ-UHFFFAOYSA-N -1 3 356.370 0.880 10 0 FCAEHM COC1(C[N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)CCOCC1 ZINC000632130067 492936253 /nfs/dbraw/zinc/93/62/53/492936253.db2.gz XHYBJXLVYLRMDV-UHFFFAOYSA-N -1 3 357.354 0.913 10 0 FCAEHM CC(C)C(=O)NCCC[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000632145377 492938707 /nfs/dbraw/zinc/93/87/07/492938707.db2.gz CNIOGCKANUZAST-UHFFFAOYSA-N -1 3 356.370 0.880 10 0 FCAEHM COC[C@@H]([N-]S(=O)(=O)C[C@H]1CN(C)CCO1)c1ccc(F)c(F)c1 ZINC000632180082 492945091 /nfs/dbraw/zinc/94/50/91/492945091.db2.gz LVIQHDUHMWDTTB-IUODEOHRSA-N -1 3 364.414 0.902 10 0 FCAEHM CN1CC[C@@](O)(C[N-]S(=O)(=O)Cc2ncsc2Br)C1 ZINC000632213092 492951546 /nfs/dbraw/zinc/95/15/46/492951546.db2.gz CKBIWLGZSDMDTF-SNVBAGLBSA-N -1 3 370.294 0.392 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@@H]1CCCN(Cc2nccn2C)C1=O)C(C)C ZINC000645647445 492953338 /nfs/dbraw/zinc/95/33/38/492953338.db2.gz MCWXGIJRPPNFJV-ZIAGYGMSSA-N -1 3 372.491 0.502 10 0 FCAEHM CCN1C[C@@H](S(=O)(=O)[N-]C2(C(=O)Nc3ccccc3)CC2)CC1=O ZINC000632245177 492956498 /nfs/dbraw/zinc/95/64/98/492956498.db2.gz SIQKFTUHTBEPSZ-ZDUSSCGKSA-N -1 3 351.428 0.698 10 0 FCAEHM O=C(NCc1ccc2c(c1)OC(F)(F)O2)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000645660729 492956895 /nfs/dbraw/zinc/95/68/95/492956895.db2.gz JHRLVCGKLNCEAQ-VIFPVBQESA-N -1 3 368.296 0.454 10 0 FCAEHM COC[C@H]([N-]S(=O)(=O)C[C@@H](OC)C1CCOCC1)[C@@H]1CCCO1 ZINC000645687832 492959933 /nfs/dbraw/zinc/95/99/33/492959933.db2.gz XMZVWLJJEGYZGZ-SOUVJXGZSA-N -1 3 351.465 0.541 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]Cc1nnc2n1CCCC2 ZINC000632267431 492960455 /nfs/dbraw/zinc/96/04/55/492960455.db2.gz FTPRATOPBXLHPE-UHFFFAOYSA-N -1 3 364.353 0.845 10 0 FCAEHM COCC[C@@]1([N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)CCOC1 ZINC000632283861 492964528 /nfs/dbraw/zinc/96/45/28/492964528.db2.gz YWLBMSIWCYPEKU-LLVKDONJSA-N -1 3 357.354 0.913 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]C[C@H](CO)c2cccnc2)coc1C(=O)N(C)C ZINC000645716245 492965928 /nfs/dbraw/zinc/96/59/28/492965928.db2.gz SHTPMMXGDYCGDM-CYBMUJFWSA-N -1 3 367.427 0.739 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CCc2cnc(C)cn2)coc1C(=O)N(C)C ZINC000645751169 492969994 /nfs/dbraw/zinc/96/99/94/492969994.db2.gz AAOWMKITPLNPCQ-UHFFFAOYSA-N -1 3 352.416 0.909 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-][C@@H]1CCCC(F)(F)[C@H]1O)C1CCOCC1 ZINC000645761222 492971092 /nfs/dbraw/zinc/97/10/92/492971092.db2.gz CYDHABFACOHSHS-AGIUHOORSA-N -1 3 357.419 0.896 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@H]1CCN(C(C)(C)C)C1=O)C1CCOCC1 ZINC000645782201 492974914 /nfs/dbraw/zinc/97/49/14/492974914.db2.gz DOMVQQIKAJKABN-UONOGXRCSA-N -1 3 362.492 0.747 10 0 FCAEHM CN(C)C(=O)C1([N-]S(=O)(=O)Cc2ncsc2Br)CC1 ZINC000632455222 493001240 /nfs/dbraw/zinc/00/12/40/493001240.db2.gz XHDMYLOPTNLRIB-UHFFFAOYSA-N -1 3 368.278 0.946 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-][C@H]1CS(=O)(=O)C1(C)C ZINC000632495264 493012420 /nfs/dbraw/zinc/01/24/20/493012420.db2.gz MOZRZISAHZNJCO-ZETCQYMHSA-N -1 3 361.367 0.293 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)NCC[C@]1(O)CCOC1 ZINC000652811680 493023358 /nfs/dbraw/zinc/02/33/58/493023358.db2.gz RNXUOQKYZLJGFT-HNNXBMFYSA-N -1 3 360.407 0.152 10 0 FCAEHM COCCOc1ccc(C[N-]S(=O)(=O)CC2(OC)CCCC2)nn1 ZINC000632543072 493025322 /nfs/dbraw/zinc/02/53/22/493025322.db2.gz PYVHORZOESLBBV-UHFFFAOYSA-N -1 3 359.448 0.880 10 0 FCAEHM CC1(C)CNC(=O)[C@H]1[N-]S(=O)(=O)Cc1ncsc1Br ZINC000632567670 493030110 /nfs/dbraw/zinc/03/01/10/493030110.db2.gz LINOQQGGBOZQCL-SSDOTTSWSA-N -1 3 368.278 0.850 10 0 FCAEHM O=C(N[C@@H](CO)CN1CCCC1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000646223160 493030784 /nfs/dbraw/zinc/03/07/84/493030784.db2.gz CJQYYQBDUWVNSL-GDBMZVCRSA-N -1 3 361.442 0.570 10 0 FCAEHM CCN1C[C@H](S(=O)(=O)[N-]C[C@@H](OC)c2cccc(OC)c2)CC1=O ZINC000632589041 493037991 /nfs/dbraw/zinc/03/79/91/493037991.db2.gz CHRCPLXZTOQHAX-HUUCEWRRSA-N -1 3 356.444 0.923 10 0 FCAEHM CN1C2(CCC2)COC[C@]1(CO)C[N-]S(=O)(=O)C[C@H]1CCC1(F)F ZINC000632592112 493039356 /nfs/dbraw/zinc/03/93/56/493039356.db2.gz PISBZOQKZSNEOO-TZMCWYRMSA-N -1 3 368.446 0.567 10 0 FCAEHM COC1(CS(=O)(=O)[N-]C[C@@]2(CO)COCC3(CCC3)N2C)CCC1 ZINC000632592054 493039688 /nfs/dbraw/zinc/03/96/88/493039688.db2.gz ANDKJZAGJLUMCQ-OAHLLOKOSA-N -1 3 362.492 0.091 10 0 FCAEHM C[C@@H]1[C@H]([N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)CCS1(=O)=O ZINC000632597502 493041458 /nfs/dbraw/zinc/04/14/58/493041458.db2.gz UYNIRMBGUDZPLB-HTRCEHHLSA-N -1 3 361.367 0.293 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCC[C@@]1(O)CCCOC1 ZINC000652941278 493045481 /nfs/dbraw/zinc/04/54/81/493045481.db2.gz BLOIWXXFLXGQFT-LRDDRELGSA-N -1 3 374.434 0.540 10 0 FCAEHM CO[C@@H](C)c1nc(=NC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)s[n-]1 ZINC000646407307 493046683 /nfs/dbraw/zinc/04/66/83/493046683.db2.gz PHODJHHFLWRJPG-UWVGGRQHSA-N -1 3 356.452 0.251 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]C[C@@H](n1cncn1)C(F)(F)F)[C@H]1CCOC1 ZINC000632643364 493056728 /nfs/dbraw/zinc/05/67/28/493056728.db2.gz KCHNWLLJAIFSEH-HBNTYKKESA-N -1 3 372.369 0.352 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@@H]2CNc3ccccc3C2)cn1C ZINC000653207581 493083588 /nfs/dbraw/zinc/08/35/88/493083588.db2.gz VNYUDZMBRNCWEP-ZDUSSCGKSA-N -1 3 363.443 0.160 10 0 FCAEHM CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2[C@@H](C)CC[C@H]2C(=O)[O-])CC1=O ZINC000653317682 493093712 /nfs/dbraw/zinc/09/37/12/493093712.db2.gz DHLYSKCFQKSWBR-XQLPTFJDSA-N -1 3 351.447 0.783 10 0 FCAEHM C[C@@H](NC(=O)c1cn2c(n1)COCC2)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000627234270 493113565 /nfs/dbraw/zinc/11/35/65/493113565.db2.gz XZGQXLIKKBGTTB-WDEREUQCSA-N -1 3 359.386 0.907 10 0 FCAEHM CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)CCc1nnn[n-]1 ZINC000633423686 493153101 /nfs/dbraw/zinc/15/31/01/493153101.db2.gz DKXXRMZQZMZPSF-HZPDHXFCSA-N -1 3 358.446 0.786 10 0 FCAEHM CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)CCc1nn[n-]n1 ZINC000633423686 493153106 /nfs/dbraw/zinc/15/31/06/493153106.db2.gz DKXXRMZQZMZPSF-HZPDHXFCSA-N -1 3 358.446 0.786 10 0 FCAEHM CCc1ccc(NC(=O)C(=O)NCc2nc(CN)cc(=O)[n-]2)cc1OC ZINC000659110548 493158363 /nfs/dbraw/zinc/15/83/63/493158363.db2.gz MEDUUBRMHCENKV-UHFFFAOYSA-N -1 3 359.386 0.467 10 0 FCAEHM CSc1cc(NC(=O)C(=O)NCc2nc(CN)cc(=O)[n-]2)ccc1C ZINC000659110999 493158884 /nfs/dbraw/zinc/15/88/84/493158884.db2.gz VWKSQOPANVRXAF-UHFFFAOYSA-N -1 3 361.427 0.926 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000633784379 493189278 /nfs/dbraw/zinc/18/92/78/493189278.db2.gz ZJUARIZSKPLXBD-RFUOJGKKSA-N -1 3 364.199 0.802 10 0 FCAEHM O=C(Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1)N1CC[C@H]2COC[C@H]2C1 ZINC000666512547 493196015 /nfs/dbraw/zinc/19/60/15/493196015.db2.gz FNPCLRVOUADLPP-GUTXKFCHSA-N -1 3 358.398 0.937 10 0 FCAEHM CC[C@@H]1CN(C(=O)NCc2nc(CN)cc(=O)[n-]2)C[C@@]2(CCOC2)O1 ZINC000659629538 493222951 /nfs/dbraw/zinc/22/29/51/493222951.db2.gz GOGCUNUUXJUWKK-MLGOLLRUSA-N -1 3 351.407 0.120 10 0 FCAEHM C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659648812 493229673 /nfs/dbraw/zinc/22/96/73/493229673.db2.gz CJKMSHDBHGBIER-MGPQQGTHSA-N -1 3 353.463 0.840 10 0 FCAEHM CCCN1CC[C@@H](NC(=O)C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1 ZINC000659662185 493238158 /nfs/dbraw/zinc/23/81/58/493238158.db2.gz CGUKYQBDFXLCPE-YIYPIFLZSA-N -1 3 353.463 0.839 10 0 FCAEHM CN(C)CCN(Cc1ccco1)C(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659668485 493241723 /nfs/dbraw/zinc/24/17/23/493241723.db2.gz LTSDXBSLNOHWEK-UHFFFAOYSA-N -1 3 351.403 0.541 10 0 FCAEHM C[C@@]1(c2ccc(CNC(=O)N3CC[C@@H](CC(N)=O)C3)cc2)NC(=O)[N-]C1=O ZINC000672816163 493255593 /nfs/dbraw/zinc/25/55/93/493255593.db2.gz KTSCOESMHNVIBM-SGTLLEGYSA-N -1 3 373.413 0.148 10 0 FCAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CNS(=O)(=O)N(C)C)cc2)n1 ZINC000667199806 493265708 /nfs/dbraw/zinc/26/57/08/493265708.db2.gz WFQGYSQRRLDBJK-UHFFFAOYSA-N -1 3 365.415 0.080 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)NCCC1CS(=O)(=O)C1 ZINC000682561499 493309048 /nfs/dbraw/zinc/30/90/48/493309048.db2.gz VZTGWIPTJBPGMG-UHFFFAOYSA-N -1 3 365.411 0.043 10 0 FCAEHM C[C@]1(c2ccc(C(=O)N3C[C@H](O)CC(F)(F)C3)cc2)NC(=O)[N-]C1=O ZINC000682592084 493310666 /nfs/dbraw/zinc/31/06/66/493310666.db2.gz XOKSCJBDQINPLP-IAQYHMDHSA-N -1 3 353.325 0.583 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]CC1(O)CCC(F)(F)CC1)[C@@H]1CCOC1 ZINC000660072091 493321630 /nfs/dbraw/zinc/32/16/30/493321630.db2.gz RREZTXRZMBHWEK-VXGBXAGGSA-N -1 3 357.419 0.898 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@H](CO)c1ccc(F)cc1F)[C@@H]1CCOC1 ZINC000660098680 493324327 /nfs/dbraw/zinc/32/43/27/493324327.db2.gz BMAZSUYBDLYQIP-VCTAVGKDSA-N -1 3 365.398 0.969 10 0 FCAEHM O=C(c1ccc2c(c1)CCCC(=O)N2)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000684078144 493392678 /nfs/dbraw/zinc/39/26/78/493392678.db2.gz DOKZSNKDEFYMBV-SFHVURJKSA-N -1 3 356.382 0.776 10 0 FCAEHM Cc1c(C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)sc2nc(C)nc(N)c12 ZINC000684078711 493392708 /nfs/dbraw/zinc/39/27/08/493392708.db2.gz IIOLFCOEEDMTIR-INIZCTEOSA-N -1 3 374.426 0.705 10 0 FCAEHM CC1(F)CN(C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C1 ZINC000684304953 493405490 /nfs/dbraw/zinc/40/54/90/493405490.db2.gz DEWJJKRYXUNKJR-UHFFFAOYSA-N -1 3 373.381 0.775 10 0 FCAEHM CCN1C(=O)[C@@H]2CN(C(=O)c3cc(=O)c4ccccc4[n-]3)CCN2C1=O ZINC000674595277 493431540 /nfs/dbraw/zinc/43/15/40/493431540.db2.gz NTFXHXOZUZBSKP-AWEZNQCLSA-N -1 3 354.366 0.637 10 0 FCAEHM COc1ccc2c(c1)OC[C@H](C(=O)Nc1[n-]nnc1C(=O)NC1CC1)C2 ZINC000662171971 493494698 /nfs/dbraw/zinc/49/46/98/493494698.db2.gz QVHCVTBEUJAMER-SNVBAGLBSA-N -1 3 357.370 0.895 10 0 FCAEHM COc1ccc2c(c1)OC[C@H](C(=O)Nc1nn[n-]c1C(=O)NC1CC1)C2 ZINC000662171971 493494701 /nfs/dbraw/zinc/49/47/01/493494701.db2.gz QVHCVTBEUJAMER-SNVBAGLBSA-N -1 3 357.370 0.895 10 0 FCAEHM COc1ccc2c(c1)OC[C@H](C(=O)Nc1n[n-]nc1C(=O)NC1CC1)C2 ZINC000662171971 493494704 /nfs/dbraw/zinc/49/47/04/493494704.db2.gz QVHCVTBEUJAMER-SNVBAGLBSA-N -1 3 357.370 0.895 10 0 FCAEHM CN1CC[C@H](N[C@H]2CCN(CC(=O)[O-])C2=O)[C@H]1c1ccc(F)c(F)c1 ZINC000662210496 493496821 /nfs/dbraw/zinc/49/68/21/493496821.db2.gz GUMBRLDARVRRBF-OFQRWUPVSA-N -1 3 353.369 0.985 10 0 FCAEHM Cc1cccc(C)c1OCCNC(=O)CN1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662220194 493497731 /nfs/dbraw/zinc/49/77/31/493497731.db2.gz UUZUNOSJXJNEHR-DNVCBOLYSA-N -1 3 362.426 0.831 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCO[C@@H](C(=O)C3CC3)C2)cc1 ZINC000669910963 493533210 /nfs/dbraw/zinc/53/32/10/493533210.db2.gz UWJJEVUWDFYGFX-CQSZACIVSA-N -1 3 352.412 0.878 10 0 FCAEHM NCc1cc(=O)[n-]c(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2)n1 ZINC000662752011 493538043 /nfs/dbraw/zinc/53/80/43/493538043.db2.gz DYOVTMNJLXFOMX-AWEZNQCLSA-N -1 3 355.398 0.562 10 0 FCAEHM CNC(=O)[C@@H](NC(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2C)C(C)C ZINC000676477394 493554021 /nfs/dbraw/zinc/55/40/21/493554021.db2.gz IDHLEJHOVHEEQK-ZDUSSCGKSA-N -1 3 373.413 0.412 10 0 FCAEHM COc1ccc2c(c1)[n-]cc(C(=O)NC1CC(NS(C)(=O)=O)C1)c2=O ZINC000670265970 493557161 /nfs/dbraw/zinc/55/71/61/493557161.db2.gz HKAULWQSPNAUFU-UHFFFAOYSA-N -1 3 365.411 0.347 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCc2ncccc2C1 ZINC000676785373 493570982 /nfs/dbraw/zinc/57/09/82/493570982.db2.gz XWRGILPASJQVCQ-UHFFFAOYSA-N -1 3 365.187 0.691 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CC[C@H]3COC[C@H]3C2)s1 ZINC000663537179 493594879 /nfs/dbraw/zinc/59/48/79/493594879.db2.gz WJKHMVBDELKEPY-WDEREUQCSA-N -1 3 359.473 0.834 10 0 FCAEHM C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663629019 493607139 /nfs/dbraw/zinc/60/71/39/493607139.db2.gz IKANSONQYYRABU-HIFRSBDPSA-N -1 3 353.463 0.840 10 0 FCAEHM C[C@]1(c2ccc(CNC(=O)N[C@@H]3C[C@@H](O)C34CCC4)cc2)NC(=O)[N-]C1=O ZINC000663920605 493625883 /nfs/dbraw/zinc/62/58/83/493625883.db2.gz WQLBTQHRRQVHHJ-HBUWYVDXSA-N -1 3 372.425 0.844 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O)C(C)(C)O ZINC000678036986 493631280 /nfs/dbraw/zinc/63/12/80/493631280.db2.gz NVKBQCFICQIFPH-MRVPVSSYSA-N -1 3 350.824 0.642 10 0 FCAEHM CC1(C)Cc2ccc(C(=O)N3CCC[C@H]3CS(N)(=O)=O)c([O-])c2O1 ZINC000678310902 493640132 /nfs/dbraw/zinc/64/01/32/493640132.db2.gz MVYKWKZAUNHSEV-NSHDSACASA-N -1 3 354.428 0.999 10 0 FCAEHM CN(C)C(=O)N(C)[C@H]1CCN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000664430261 493659278 /nfs/dbraw/zinc/65/92/78/493659278.db2.gz YEESFIXBVDTJCN-NSHDSACASA-N -1 3 359.386 0.790 10 0 FCAEHM CC(C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)NC2(CO)CC2)cc1F ZINC000678802349 493661661 /nfs/dbraw/zinc/66/16/61/493661661.db2.gz UQPDQIINISKZES-UHFFFAOYSA-N -1 3 366.436 0.779 10 0 FCAEHM C[C@H]([N-]S(C)(=O)=O)c1nc(-c2ccc(N3CCN(C)CC3)cn2)no1 ZINC000664941405 493691437 /nfs/dbraw/zinc/69/14/37/493691437.db2.gz PABCOYVGOOZOBD-NSHDSACASA-N -1 3 366.447 0.494 10 0 FCAEHM COc1ccc(OC)c([C@@H](C)NC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)c1 ZINC000680603383 493725978 /nfs/dbraw/zinc/72/59/78/493725978.db2.gz LNTBRZWDDFFZQP-MFKMUULPSA-N -1 3 362.386 0.710 10 0 FCAEHM Cn1cc(C[N-]S(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)nn1 ZINC000681031136 493741637 /nfs/dbraw/zinc/74/16/37/493741637.db2.gz LTGCFDJYHPJLPI-LLVKDONJSA-N -1 3 370.406 0.848 10 0 FCAEHM CN1NN=C2C1=NCC[C@@H]2C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000665904268 493743758 /nfs/dbraw/zinc/74/37/58/493743758.db2.gz XQBKWPCEMKMPPU-VIFPVBQESA-N -1 3 350.404 0.221 10 0 FCAEHM O=C(NCc1noc(-c2cccc(F)c2)n1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000665909900 493743927 /nfs/dbraw/zinc/74/39/27/493743927.db2.gz SQTMUSJIWIBNKP-NSHDSACASA-N -1 3 374.332 0.321 10 0 FCAEHM Cc1cccc(F)c1S(=O)(=O)[N-]CCCN1CCCS1(=O)=O ZINC000681249766 493753612 /nfs/dbraw/zinc/75/36/12/493753612.db2.gz OACNVKIJAIZGGA-UHFFFAOYSA-N -1 3 350.437 0.838 10 0 FCAEHM CN(C)c1cnccc1NC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000681362930 493758700 /nfs/dbraw/zinc/75/87/00/493758700.db2.gz NVKQSSOZAJKFMD-SFHVURJKSA-N -1 3 353.382 0.876 10 0 FCAEHM O=C1OCCN1CCC[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000266209686 534806997 /nfs/dbraw/zinc/80/69/97/534806997.db2.gz UTDYJJHFPSIWGQ-UHFFFAOYSA-N -1 3 364.221 0.965 10 0 FCAEHM CCC[C@@H](O)[C@@H](CO)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000412531869 529050542 /nfs/dbraw/zinc/05/05/42/529050542.db2.gz ZBRSQQCKHWLHEZ-CYZMBNFOSA-N -1 3 362.423 0.131 10 0 FCAEHM CC1(C)Cc2ccc(C(=O)NCCN3CCS(=O)(=O)CC3)c([O-])c2O1 ZINC000436684254 534954535 /nfs/dbraw/zinc/95/45/35/534954535.db2.gz ZMZSJMLIUJSWIN-UHFFFAOYSA-N -1 3 368.455 0.566 10 0 FCAEHM CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H]2CNC(=O)C2)s1 ZINC000444182976 535379098 /nfs/dbraw/zinc/37/90/98/535379098.db2.gz MLSBRLFFBXGXSH-LLVKDONJSA-N -1 3 373.500 0.620 10 0 FCAEHM CCCn1nccc1NC(=O)C(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000446778889 535632118 /nfs/dbraw/zinc/63/21/18/535632118.db2.gz YABDOSXCONSPEA-UHFFFAOYSA-N -1 3 373.413 0.874 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCC[C@@H]2COCC[C@@H]21 ZINC000329647923 546560302 /nfs/dbraw/zinc/56/03/02/546560302.db2.gz AUQFPAVXJSRRSP-YUTCNCBUSA-N -1 3 371.459 0.986 10 0 FCAEHM COC(=O)c1ncccc1S(=O)(=O)[N-]CC(C)(C)[C@]1(O)CCOC1 ZINC000592085047 546607674 /nfs/dbraw/zinc/60/76/74/546607674.db2.gz BRRNISYHLTWDIW-HNNXBMFYSA-N -1 3 358.416 0.324 10 0 FCAEHM C[C@H]1CCN(S(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)c2ccnn2C)C1 ZINC000592106232 546608450 /nfs/dbraw/zinc/60/84/50/546608450.db2.gz SSWAPXLMBVRLDW-AAEUAGOBSA-N -1 3 358.464 0.979 10 0 FCAEHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C(=O)OC)c2ccnn2C)c1 ZINC000592093596 546609973 /nfs/dbraw/zinc/60/99/73/546609973.db2.gz SWQPLLNVVWGCRX-LLVKDONJSA-N -1 3 373.412 0.461 10 0 FCAEHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H](C(=O)OC)c1ccnn1C ZINC000592093709 546610781 /nfs/dbraw/zinc/61/07/81/546610781.db2.gz XGGPCTLWIDPXPJ-JTQLQIEISA-N -1 3 373.412 0.461 10 0 FCAEHM COC(=O)c1c(C)nc(=O)[n-]c1SC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000592343314 546633322 /nfs/dbraw/zinc/63/33/22/546633322.db2.gz PCKCGXQTNWYKGF-VIFPVBQESA-N -1 3 361.445 0.651 10 0 FCAEHM COC(=O)c1sc2[n-]c(CN3C[C@@H]4C[C@H]3C[S@]4=O)nc(=O)c2c1C ZINC000593103466 546689326 /nfs/dbraw/zinc/68/93/26/546689326.db2.gz UUCPBVSJPCUEIZ-HZZAEOOSSA-N -1 3 367.452 0.785 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CCF)C(=O)OC)c(OC)c1 ZINC000593634032 546724506 /nfs/dbraw/zinc/72/45/06/546724506.db2.gz JDPAQFXYQHTVEM-SNVBAGLBSA-N -1 3 363.363 0.661 10 0 FCAEHM COC(=O)[C@@H](CCF)[N-]S(=O)(=O)C1CN(C(=O)c2ccccc2)C1 ZINC000593633409 546724764 /nfs/dbraw/zinc/72/47/64/546724764.db2.gz GIMBZAQPFZXVIR-CYBMUJFWSA-N -1 3 358.391 0.332 10 0 FCAEHM COC(=O)[C@H](CCF)[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000593634862 546725643 /nfs/dbraw/zinc/72/56/43/546725643.db2.gz OSADOVBAZKCXMX-VIFPVBQESA-N -1 3 350.368 0.469 10 0 FCAEHM COc1cccc(S([O-])=CC(=O)N2CCN(CCN(C)C)C(=O)C2)c1 ZINC000593784080 546755260 /nfs/dbraw/zinc/75/52/60/546755260.db2.gz HRJVUOIMPPKJJN-RUZDIDTESA-N -1 3 367.471 0.035 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)N1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593867179 546763428 /nfs/dbraw/zinc/76/34/28/546763428.db2.gz YUVDYZOHDLVGIM-GANBNBROSA-N -1 3 360.432 0.226 10 0 FCAEHM COC[C@H](CC[N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC)OC ZINC000594795215 546826513 /nfs/dbraw/zinc/82/65/13/546826513.db2.gz IIAOJYWIOUVEJZ-VIFPVBQESA-N -1 3 367.445 0.873 10 0 FCAEHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C[C@@H](OC)[C@H]1CCOC1 ZINC000594805569 546828316 /nfs/dbraw/zinc/82/83/16/546828316.db2.gz ZTSTYPKMPQPXSH-GXFFZTMASA-N -1 3 361.391 0.942 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCO[C@H]2C(=O)OC)c(F)c1 ZINC000594824172 546837205 /nfs/dbraw/zinc/83/72/05/546837205.db2.gz HZHBNWQVEZDGBJ-CMPLNLGQSA-N -1 3 361.347 0.221 10 0 FCAEHM COC(=O)[C@H]1OCC[C@H]1[N-]S(=O)(=O)C[C@H](Cc1ccccc1)OC ZINC000594823652 546837351 /nfs/dbraw/zinc/83/73/51/546837351.db2.gz VVJNPMKOYTZMSO-ZNMIVQPWSA-N -1 3 357.428 0.494 10 0 FCAEHM COCc1nc(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)OC)n[nH]1 ZINC000594826853 546838105 /nfs/dbraw/zinc/83/81/05/546838105.db2.gz FMRLLYBOZQKFCY-UHFFFAOYSA-N -1 3 374.806 0.870 10 0 FCAEHM O=C(CSc1n[nH]c(=O)[n-]1)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000617703292 546883664 /nfs/dbraw/zinc/88/36/64/546883664.db2.gz GEVHGBMNJWHNFW-ZDUSSCGKSA-N -1 3 363.443 0.485 10 0 FCAEHM O=C(NCc1cn2cc(Cl)ccc2n1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000545414118 547030633 /nfs/dbraw/zinc/03/06/33/547030633.db2.gz QLOLPTGHIBKUAC-NSHDSACASA-N -1 3 362.777 0.433 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CC[C@@]3(C)[C@@H](C2)C3(F)F)cn1C ZINC000552963852 547242559 /nfs/dbraw/zinc/24/25/59/547242559.db2.gz YLJSEXAEWSJILW-MFKMUULPSA-N -1 3 362.402 0.511 10 0 FCAEHM COC(=O)c1csc(S(=O)(=O)[N-]C[C@@H](CO)c2cccnc2)c1 ZINC000553576099 547290680 /nfs/dbraw/zinc/29/06/80/547290680.db2.gz WCRKBGROUOQTRV-LBPRGKRZSA-N -1 3 356.425 0.984 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N[C@H]2CC[C@H]2C)s1 ZINC000553728636 547303028 /nfs/dbraw/zinc/30/30/28/547303028.db2.gz FEHWSKYCLOMRGK-SKDRFNHKSA-N -1 3 359.473 0.577 10 0 FCAEHM CCOCCOC[C@H](O)C[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000553866263 547312439 /nfs/dbraw/zinc/31/24/39/547312439.db2.gz CEBSPHQLTBDDKQ-SNVBAGLBSA-N -1 3 372.365 0.793 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-]CC(C)(C)O)c1I ZINC000866840024 663137246 /nfs/dbraw/zinc/13/72/46/663137246.db2.gz UMJOYGOEOYBORZ-UHFFFAOYSA-N -1 3 359.189 0.074 10 0 FCAEHM CCC[C@@H](O)C[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866849109 663143262 /nfs/dbraw/zinc/14/32/62/663143262.db2.gz RUDMJLWGEIMLPJ-SSDOTTSWSA-N -1 3 373.216 0.464 10 0 FCAEHM CCN1C[C@H](S(=O)(=O)[N-][C@H]2CCN(c3ccc(C)cc3)C2=O)CC1=O ZINC000866869151 663471580 /nfs/dbraw/zinc/47/15/80/663471580.db2.gz GCENECWUDJDBJS-CABCVRRESA-N -1 3 365.455 0.641 10 0 FCAEHM Cc1ccc(N2CC[C@@H]([N-]S(=O)(=O)C[C@@H]3CN(C)CCO3)C2=O)cc1 ZINC000866869925 663472419 /nfs/dbraw/zinc/47/24/19/663472419.db2.gz RHROMKQBXHUPEU-JKSUJKDBSA-N -1 3 367.471 0.350 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCNC(=O)CC2)ccc1F ZINC000065902345 663965574 /nfs/dbraw/zinc/96/55/74/663965574.db2.gz WWWYCKWDZFMMJK-UHFFFAOYSA-N -1 3 357.407 0.475 10 0 FCAEHM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436823149 664883920 /nfs/dbraw/zinc/88/39/20/664883920.db2.gz ZOTBGGPRUZEFHV-BDAKNGLRSA-N -1 3 352.343 0.307 10 0 FCAEHM COCCN(C)CCNC(=O)N1CCOc2ccccc2[C@@H]1C(=O)[O-] ZINC000908919935 666221220 /nfs/dbraw/zinc/22/12/20/666221220.db2.gz FRGJGNDTGKJPLZ-OAHLLOKOSA-N -1 3 351.403 0.795 10 0 FCAEHM COCCN(CCOC)C1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000911860525 666377468 /nfs/dbraw/zinc/37/74/68/666377468.db2.gz VTKLWKDZAVZRKS-UHFFFAOYSA-N -1 3 350.419 0.479 10 0 FCAEHM CN1CCOC[C@]1(CO)C[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000921338895 666436502 /nfs/dbraw/zinc/43/65/02/666436502.db2.gz SBKRJGJMHVLMMX-CQSZACIVSA-N -1 3 350.387 0.077 10 0 FCAEHM CO[C@]1(C[N-]S(=O)(=O)c2ccc(F)cc2F)CCS(=O)(=O)C1 ZINC000921466124 666449401 /nfs/dbraw/zinc/44/94/01/666449401.db2.gz URCYUTOSJYEUQD-LBPRGKRZSA-N -1 3 355.384 0.447 10 0 FCAEHM CC[C@@H](CN1CCOCC1)[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000921435489 666451888 /nfs/dbraw/zinc/45/18/88/666451888.db2.gz BQFJBIDUZGSMOL-NSHDSACASA-N -1 3 350.872 0.771 10 0 FCAEHM CC(C)(CNS(C)(=O)=O)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000921488906 666453929 /nfs/dbraw/zinc/45/39/29/666453929.db2.gz MPCBILCILWUTRV-UHFFFAOYSA-N -1 3 360.379 0.710 10 0 FCAEHM Cc1ccc(I)c(C(=O)NN2CC(=O)[N-]C2=O)c1 ZINC000175017666 666456897 /nfs/dbraw/zinc/45/68/97/666456897.db2.gz DZQFSCIGIALDLM-UHFFFAOYSA-N -1 3 359.123 0.796 10 0 FCAEHM O=S(=O)(Cc1noc2c1CCCC2)[N-]C[C@H]1COC2(CCOCC2)O1 ZINC000914334716 666740356 /nfs/dbraw/zinc/74/03/56/666740356.db2.gz CSADPICXDRSSEV-LBPRGKRZSA-N -1 3 372.443 0.895 10 0 FCAEHM CO[C@@H](C[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)C(F)(F)F ZINC000733320309 666855339 /nfs/dbraw/zinc/85/53/39/666855339.db2.gz JEKSNBOFOCXALC-JTQLQIEISA-N -1 3 361.363 0.946 10 0 FCAEHM COC(=O)[C@](C)(CCF)[N-]S(=O)(=O)c1cnn2c1OCC(C)(C)C2 ZINC000917425629 667074296 /nfs/dbraw/zinc/07/42/96/667074296.db2.gz NOYSZTLSRQVKSK-AWEZNQCLSA-N -1 3 363.411 0.871 10 0 FCAEHM C[S@](=O)(=NS(=O)(=O)[N-]C1CC(N2CCOCC2)C1)c1ccccc1 ZINC000918277188 667108612 /nfs/dbraw/zinc/10/86/12/667108612.db2.gz RYJIUMGJPPRPKD-ZUGFLLEASA-N -1 3 373.500 0.841 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-]C[C@@H]2C[C@@H]3COC[C@@H]3O2)c1Br ZINC000921614770 667144675 /nfs/dbraw/zinc/14/46/75/667144675.db2.gz WKJLNAWTQHBRAZ-VGMNWLOBSA-N -1 3 366.237 0.265 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CC2CC3(C2)OCCO3)c(Br)n1 ZINC000921664171 667213603 /nfs/dbraw/zinc/21/36/03/667213603.db2.gz WTSOFFUBOHKGJY-UHFFFAOYSA-N -1 3 366.237 0.614 10 0 FCAEHM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]C[C@@H]1CCC2(CCOCC2)O1 ZINC000921675096 667221266 /nfs/dbraw/zinc/22/12/66/667221266.db2.gz RPUVTYHCJKIXJP-WIUDPPPLSA-N -1 3 355.482 0.123 10 0 FCAEHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]CC[C@H]1CC(=O)N(C)C1 ZINC000921069861 667265392 /nfs/dbraw/zinc/26/53/92/667265392.db2.gz VSQPGXBMFSUSDC-JTQLQIEISA-N -1 3 358.391 0.759 10 0 FCAEHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]CC[C@@H](C)[S@@](C)=O ZINC000751505395 667473461 /nfs/dbraw/zinc/47/34/61/667473461.db2.gz IPTJUQDZRCGKAU-IJSAXESFSA-N -1 3 368.864 0.957 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)OCc1nc(C2CCCC2)no1 ZINC000751747217 667485705 /nfs/dbraw/zinc/48/57/05/667485705.db2.gz YADDYOPGHDBOGF-UHFFFAOYSA-N -1 3 361.420 0.726 10 0 FCAEHM CCOC(=O)[C@@H](CC1CC1)[N-]S(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000751980451 667497941 /nfs/dbraw/zinc/49/79/41/667497941.db2.gz FQZDZGCHNBAWDE-GFCCVEGCSA-N -1 3 353.462 0.215 10 0 FCAEHM CCOC(=O)[C@@H](CC1CC1)NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000752466589 667517495 /nfs/dbraw/zinc/51/74/95/667517495.db2.gz LVBNHVSFPLJPFG-GFCCVEGCSA-N -1 3 358.416 0.958 10 0 FCAEHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]CC1(C)OCCCO1 ZINC000752826207 667530082 /nfs/dbraw/zinc/53/00/82/667530082.db2.gz KPDAYHORLWIFPM-UHFFFAOYSA-N -1 3 364.807 0.953 10 0 FCAEHM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2CCN2C2CCOCC2)o1 ZINC000921908582 667537784 /nfs/dbraw/zinc/53/77/84/667537784.db2.gz POWQHRSXHIATBY-ZDUSSCGKSA-N -1 3 372.443 0.988 10 0 FCAEHM COC(=O)[C@@H]1CC[C@@H]1[N-]S(=O)(=O)c1cnn(C)c1Br ZINC000921972430 667556900 /nfs/dbraw/zinc/55/69/00/667556900.db2.gz GJBGSCJOKFDFQD-RQJHMYQMSA-N -1 3 352.210 0.413 10 0 FCAEHM CCNC(=O)C1CN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)C1 ZINC000754375313 667594314 /nfs/dbraw/zinc/59/43/14/667594314.db2.gz VJABVVVGGQPYAK-UHFFFAOYSA-N -1 3 371.434 0.721 10 0 FCAEHM COc1ccc(COC(=O)C[N-]S(=O)(=O)c2c(C)noc2C)cn1 ZINC000754495950 667599231 /nfs/dbraw/zinc/59/92/31/667599231.db2.gz KGPURMOJEDYBNQ-UHFFFAOYSA-N -1 3 355.372 0.717 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)OC[C@H](C)CS(C)(=O)=O)c(C)o1 ZINC000758045449 667742484 /nfs/dbraw/zinc/74/24/84/667742484.db2.gz HOKLCWSSSVWRCW-QMMMGPOBSA-N -1 3 353.418 0.334 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H]2CC[C@H](S(C)(=O)=O)C2)c(C)o1 ZINC000761244631 667883466 /nfs/dbraw/zinc/88/34/66/667883466.db2.gz VBVDQHRTOVBJJJ-ZJUUUORDSA-N -1 3 365.429 0.619 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H]2CC[C@@H](S(C)(=O)=O)C2)c(C)o1 ZINC000761244620 667883644 /nfs/dbraw/zinc/88/36/44/667883644.db2.gz VBVDQHRTOVBJJJ-NXEZZACHSA-N -1 3 365.429 0.619 10 0 FCAEHM CNC(=O)[C@@H](O)C[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000809838020 667978840 /nfs/dbraw/zinc/97/88/40/667978840.db2.gz NVPCBXHTPXINLV-QMMMGPOBSA-N -1 3 371.640 0.488 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN3C(=O)OCC[C@@H]3C2)ccc1F ZINC000764256984 667979293 /nfs/dbraw/zinc/97/92/93/667979293.db2.gz WMNNHSWHUUZGDB-LLVKDONJSA-N -1 3 371.390 0.401 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)OCC(=O)Nc1ccccc1F ZINC000767381200 668051047 /nfs/dbraw/zinc/05/10/47/668051047.db2.gz YAFDJUHBEROBAS-UHFFFAOYSA-N -1 3 362.379 0.263 10 0 FCAEHM CC[C@]1(C)NC(=O)N([N-]C(=O)c2ccc(-n3cnnn3)cc2Cl)C1=O ZINC000769851070 668158490 /nfs/dbraw/zinc/15/84/90/668158490.db2.gz CTBOMYNBGSDAPR-AWEZNQCLSA-N -1 3 363.765 0.681 10 0 FCAEHM CCCCCCn1cc(S(=O)(=O)[N-]C[C@@H]2CCCN2C)c(=O)[nH]c1=O ZINC000775576531 668221338 /nfs/dbraw/zinc/22/13/38/668221338.db2.gz SPGGOEMWIPTFGV-ZDUSSCGKSA-N -1 3 372.491 0.902 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)OCc2nsc(N(C)C)n2)c(C)o1 ZINC000771371762 668250230 /nfs/dbraw/zinc/25/02/30/668250230.db2.gz NYRRBNDDZKVLPM-UHFFFAOYSA-N -1 3 360.417 0.771 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@H]1CCCCS1(=O)=O ZINC000784372795 668653758 /nfs/dbraw/zinc/65/37/58/668653758.db2.gz MMDLBVPKTVYLSF-SECBINFHSA-N -1 3 355.869 0.628 10 0 FCAEHM CS(=O)(=O)[N-]c1cc(C(=O)OCCC2CS(=O)(=O)C2)ccc1F ZINC000790646983 668880135 /nfs/dbraw/zinc/88/01/35/668880135.db2.gz PXHPZKGZQDKZGK-UHFFFAOYSA-N -1 3 365.404 0.789 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@@H](C(=O)C3CC3)C2)ccc1F ZINC000791256284 668887607 /nfs/dbraw/zinc/88/76/07/668887607.db2.gz WSLMXGNBKQBPDA-CYBMUJFWSA-N -1 3 370.402 0.554 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-]CCc2nnc[nH]2)c(F)cc1Cl ZINC000795877261 669067873 /nfs/dbraw/zinc/06/78/73/669067873.db2.gz DZQQIVHBYAWUFA-UHFFFAOYSA-N -1 3 362.770 0.905 10 0 FCAEHM CS(=O)(=O)N1CCCC[C@H]1C[N-]S(=O)(=O)c1cccnc1Cl ZINC000796177921 669085384 /nfs/dbraw/zinc/08/53/84/669085384.db2.gz SVRYDSWHKYBAIY-JTQLQIEISA-N -1 3 367.880 0.827 10 0 FCAEHM CC(C(=O)[N-]S(=O)(=O)CC(C)(C)C)S(=O)(=O)C1CCOCC1 ZINC000797022892 669145927 /nfs/dbraw/zinc/14/59/27/669145927.db2.gz HAVXVUCANYVFEA-SNVBAGLBSA-N -1 3 355.478 0.461 10 0 FCAEHM CN1C[C@H](NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)CCC1=O ZINC000798421779 669236358 /nfs/dbraw/zinc/23/63/58/669236358.db2.gz VSERVTPOOOIRIX-LLVKDONJSA-N -1 3 364.368 0.707 10 0 FCAEHM COC[C@@H]([N-]S(=O)(=O)Cc1cc(C)ccc1Br)C(N)=O ZINC000867023770 669270225 /nfs/dbraw/zinc/27/02/25/669270225.db2.gz YKINUNOKAUWICY-LLVKDONJSA-N -1 3 365.249 0.677 10 0 FCAEHM COCC[C@@H](COC)[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC ZINC000810092997 669664238 /nfs/dbraw/zinc/66/42/38/669664238.db2.gz BLKFXXKAOCYSAS-VIFPVBQESA-N -1 3 366.823 0.851 10 0 FCAEHM COc1cccc(C(=O)COC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)n1 ZINC000811155997 669738258 /nfs/dbraw/zinc/73/82/58/669738258.db2.gz QIBROCTXZJXFST-CYBMUJFWSA-N -1 3 358.416 0.780 10 0 FCAEHM Cn1cc(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)[nH]c1=O ZINC000830931377 669815870 /nfs/dbraw/zinc/81/58/70/669815870.db2.gz LGZCDYMGUTZAJJ-UHFFFAOYSA-N -1 3 364.836 0.549 10 0 FCAEHM COC[C@@H]([N-]C(=O)C(F)(F)n1cc(-c2ccccc2)nn1)C(=O)OC ZINC000831812692 669869485 /nfs/dbraw/zinc/86/94/85/669869485.db2.gz VUTOKHVVVYYIKL-GFCCVEGCSA-N -1 3 354.313 0.799 10 0 FCAEHM CCO[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867104895 669940119 /nfs/dbraw/zinc/94/01/19/669940119.db2.gz IHPJDGWWHPTDCO-BDAKNGLRSA-N -1 3 368.253 0.655 10 0 FCAEHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cn(C)nc2Br)[C@H]1OC ZINC000867107195 669941611 /nfs/dbraw/zinc/94/16/11/669941611.db2.gz RUSCUUFGFWGMFZ-NQMVMOMDSA-N -1 3 368.253 0.653 10 0 FCAEHM COC(=O)c1ccoc1S(=O)(=O)[N-][C@H](C)CCN1CCN(C)CC1 ZINC000867120962 669996872 /nfs/dbraw/zinc/99/68/72/669996872.db2.gz IYCMRFLKZKSAFD-GFCCVEGCSA-N -1 3 359.448 0.371 10 0 FCAEHM CCN1CCN([C@@H](C)C[N-]S(=O)(=O)c2occc2C(=O)OC)CC1 ZINC000867146207 670018099 /nfs/dbraw/zinc/01/80/99/670018099.db2.gz CJESIZJKZDXENX-LBPRGKRZSA-N -1 3 359.448 0.371 10 0 FCAEHM C[C@@H]1CN(CC[N-]S(=O)(=O)c2cn(C)nc2Br)CCO1 ZINC000867146765 670019455 /nfs/dbraw/zinc/01/94/55/670019455.db2.gz ZCYIEPNDXWXOII-SECBINFHSA-N -1 3 367.269 0.182 10 0 FCAEHM COc1ccc(S(=O)(=O)N(C)CCCC(=O)[N-]OC(C)(C)CO)cc1 ZINC000836801649 670061431 /nfs/dbraw/zinc/06/14/31/670061431.db2.gz KYXBRWBPWQFAHD-UHFFFAOYSA-N -1 3 374.459 0.915 10 0 FCAEHM COC[C@@H]([N-]S(=O)(=O)C1CN(C(=O)OC(C)(C)C)C1)[C@H]1CCCO1 ZINC000867206252 670073881 /nfs/dbraw/zinc/07/38/81/670073881.db2.gz JJDAEIZYQPMBTA-CHWSQXEVSA-N -1 3 364.464 0.719 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]Cc2nncn2C2CC2)c(Br)n1 ZINC000867210296 670075694 /nfs/dbraw/zinc/07/56/94/670075694.db2.gz QULCORRGKSWTFD-UHFFFAOYSA-N -1 3 361.225 0.588 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CC2(S(C)(=O)=O)CC2)c(Br)n1 ZINC000867211993 670078288 /nfs/dbraw/zinc/07/82/88/670078288.db2.gz YXOFRVJJYZDPON-UHFFFAOYSA-N -1 3 372.266 0.038 10 0 FCAEHM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1C[C@@H](C)N(CCO)C[C@@H]1C ZINC000841458439 670562224 /nfs/dbraw/zinc/56/22/24/670562224.db2.gz ZOLCMBDKJNQDBS-WOPDTQHZSA-N -1 3 353.385 0.603 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](C)[C@H](C)N1CCOCC1 ZINC000104757881 670678806 /nfs/dbraw/zinc/67/88/06/670678806.db2.gz OBFBXSQNLNIMSJ-ONGXEEELSA-N -1 3 350.872 0.769 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C)[C@H](C)N1CCOCC1 ZINC000104757882 670678954 /nfs/dbraw/zinc/67/89/54/670678954.db2.gz OBFBXSQNLNIMSJ-KOLCDFICSA-N -1 3 350.872 0.769 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-]C2(CCO)CC2)c1I ZINC000867301826 670703556 /nfs/dbraw/zinc/70/35/56/670703556.db2.gz FRVUCPZZCRZISV-UHFFFAOYSA-N -1 3 371.200 0.218 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]Cc1ncc2c(n1)CCOC2 ZINC000845968873 671058929 /nfs/dbraw/zinc/05/89/29/671058929.db2.gz XMJKQYKUQXTLPR-UHFFFAOYSA-N -1 3 357.823 0.723 10 0 FCAEHM COC(=O)[C@@H](CC1CC1)[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867403944 671079702 /nfs/dbraw/zinc/07/97/02/671079702.db2.gz ZQKWCFHNDFBIJK-MRVPVSSYSA-N -1 3 366.237 0.803 10 0 FCAEHM CCS(=O)(=O)CCC[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867406325 671089720 /nfs/dbraw/zinc/08/97/20/671089720.db2.gz HBASBMQJUAXBSU-UHFFFAOYSA-N -1 3 374.282 0.286 10 0 FCAEHM CON1CCC([N-]S(=O)(=O)c2cn(C)nc2Br)CC1 ZINC000867422628 671113091 /nfs/dbraw/zinc/11/30/91/671113091.db2.gz OOCMQLOBLFUSSG-UHFFFAOYSA-N -1 3 353.242 0.487 10 0 FCAEHM O=C(c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)N1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000846558869 671126548 /nfs/dbraw/zinc/12/65/48/671126548.db2.gz IRGBWXLNOMPQLY-RSPIHXBNSA-N -1 3 372.443 0.612 10 0 FCAEHM CO[C@](C)(CO)CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000848262275 671263650 /nfs/dbraw/zinc/26/36/50/671263650.db2.gz FOZARHRSEPBNSF-HNNXBMFYSA-N -1 3 362.423 0.640 10 0 FCAEHM CCN(OC)C(=O)C[N-]S(=O)(=O)c1cc(C(=O)OC)cc(C)c1F ZINC000848461052 671278492 /nfs/dbraw/zinc/27/84/92/671278492.db2.gz ROYWUZBZUVMOGC-UHFFFAOYSA-N -1 3 362.379 0.609 10 0 FCAEHM COC[C@](C)(O)CC[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC ZINC000849395913 671335830 /nfs/dbraw/zinc/33/58/30/671335830.db2.gz OVLCHBVQWKEYHL-CYBMUJFWSA-N -1 3 366.823 0.587 10 0 FCAEHM COC[C@@](C)(O)CC[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC ZINC000849395914 671335850 /nfs/dbraw/zinc/33/58/50/671335850.db2.gz OVLCHBVQWKEYHL-ZDUSSCGKSA-N -1 3 366.823 0.587 10 0 FCAEHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@@H](CO)c1ccnn1C ZINC000849397972 671336622 /nfs/dbraw/zinc/33/66/22/671336622.db2.gz HRBSEKHTXWOPIL-QMMMGPOBSA-N -1 3 374.806 0.267 10 0 FCAEHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@@H](OC)[C@@H]2CCOC2)c1 ZINC000849415197 671340208 /nfs/dbraw/zinc/34/02/08/671340208.db2.gz YOMMSQDMEBGNOY-DGCLKSJQSA-N -1 3 361.391 0.942 10 0 FCAEHM Cc1nc(C)c(CC(=O)N[C@]2(C(=O)OC(C)(C)C)CCOC2)c(=O)[n-]1 ZINC000855640976 671656991 /nfs/dbraw/zinc/65/69/91/671656991.db2.gz RFKWOPRKPWQLCN-QGZVFWFLSA-N -1 3 351.403 0.959 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]CC(=O)N(C)OCC(F)(F)F)C(C)C ZINC000856762442 671700539 /nfs/dbraw/zinc/70/05/39/671700539.db2.gz JDKQRAPFMYWZCN-SECBINFHSA-N -1 3 350.359 0.529 10 0 FCAEHM O=C(CNC(=O)c1ccc([O-])cc1)NCC[S@@](=O)CC(F)(F)F ZINC000857302517 671724329 /nfs/dbraw/zinc/72/43/29/671724329.db2.gz UGQCPSGGKIINNB-HSZRJFAPSA-N -1 3 352.334 0.549 10 0 FCAEHM CCON(CC)C(=O)C[N-]S(=O)(=O)C[C@@H](OC)C1CCOCC1 ZINC000859272468 671806756 /nfs/dbraw/zinc/80/67/56/671806756.db2.gz RQAPBXUZCXVNMP-CYBMUJFWSA-N -1 3 352.453 0.147 10 0 FCAEHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]C[C@@H]2COCCN2C)c1 ZINC000859335167 671815827 /nfs/dbraw/zinc/81/58/27/671815827.db2.gz PRDMYSMWZMPPMZ-GFCCVEGCSA-N -1 3 360.407 0.530 10 0 FCAEHM CCOC(=O)CCC[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000866454779 672274992 /nfs/dbraw/zinc/27/49/92/672274992.db2.gz AZGXELRNXYPEGM-UHFFFAOYSA-N -1 3 354.226 0.804 10 0 FCAEHM C[C@H]1C[C@@H]1C[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866494949 672278328 /nfs/dbraw/zinc/27/83/28/672278328.db2.gz UXEDADRYKFQITI-NKWVEPMBSA-N -1 3 355.201 0.959 10 0 FCAEHM CS(=O)(=O)CC[N-]S(=O)(=O)Cc1ncsc1Br ZINC000866520114 672279818 /nfs/dbraw/zinc/27/98/18/672279818.db2.gz CWOPPWDAMWQVDH-UHFFFAOYSA-N -1 3 363.280 0.370 10 0 FCAEHM CC[S@@](C)(=O)=NS(=O)(=O)[N-]C1CCN(Cc2ccccn2)CC1 ZINC000866526158 672280502 /nfs/dbraw/zinc/28/05/02/672280502.db2.gz DKRZXMKODUETHY-JOCHJYFZSA-N -1 3 360.505 0.998 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CCCN2CCOC2=O)c(Br)n1 ZINC000866728805 672293653 /nfs/dbraw/zinc/29/36/53/672293653.db2.gz JQNVFRQQGTWORI-UHFFFAOYSA-N -1 3 367.225 0.303 10 0 FCAEHM COC[C@H](CC[N-]S(=O)(=O)c1cnn(C)c1Br)OC ZINC000867498346 672326457 /nfs/dbraw/zinc/32/64/57/672326457.db2.gz YCBHTUUEFSCHEE-QMMMGPOBSA-N -1 3 356.242 0.512 10 0 FCAEHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cn(C)nc2Br)c2ncnn21 ZINC000867499740 672326759 /nfs/dbraw/zinc/32/67/59/672326759.db2.gz WPIJKABFAZSPRI-BQBZGAKWSA-N -1 3 361.225 0.758 10 0 FCAEHM CN(OCC(F)(F)F)C(=O)C[N-]S(=O)(=O)C[C@H]1CCC1(F)F ZINC000867548047 672335532 /nfs/dbraw/zinc/33/55/32/672335532.db2.gz OIBPRIPOHWHGPF-SSDOTTSWSA-N -1 3 354.297 0.903 10 0 FCAEHM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2cnn(C)c2I)C1 ZINC000867567985 672338920 /nfs/dbraw/zinc/33/89/20/672338920.db2.gz MPFCHNBCWNRMHX-LJGSYFOKSA-N -1 3 371.200 0.480 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CN(Cc3ccncc3)CCO2)nn1 ZINC000867566739 672338615 /nfs/dbraw/zinc/33/86/15/672338615.db2.gz UQTQNAVQKIJNME-HNNXBMFYSA-N -1 3 363.443 0.359 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)c(Br)n1 ZINC000867608639 672347601 /nfs/dbraw/zinc/34/76/01/672347601.db2.gz BGQZVAMGNSJMGY-MZFCOBPBSA-N -1 3 362.249 0.884 10 0 FCAEHM Cc1ccc(CN2CCO[C@@H](C[N-]S(=O)(=O)c3nncn3C)C2)cc1 ZINC000867792475 672368362 /nfs/dbraw/zinc/36/83/62/672368362.db2.gz RSDXAYWNMHBXME-HNNXBMFYSA-N -1 3 365.459 0.303 10 0 FCAEHM CCN1C[C@@H](S(=O)(=O)[N-]Cc2ncc(Br)s2)CC1=O ZINC000867863639 672374808 /nfs/dbraw/zinc/37/48/08/672374808.db2.gz UTKCQMXODHAFRZ-ZETCQYMHSA-N -1 3 368.278 0.946 10 0 FCAEHM COc1cccc(S([O-])=CC(=O)N[C@H]2CCN(CC(C)(C)O)C2)c1 ZINC000869776589 672449874 /nfs/dbraw/zinc/44/98/74/672449874.db2.gz OFDDTGKERZTQMT-RKNYENMMSA-N -1 3 354.472 0.764 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCC[C@H]2CC(=O)N(C)C2)ccc1F ZINC000927747764 673879013 /nfs/dbraw/zinc/87/90/13/673879013.db2.gz KFQSHGQJQNLIFD-JTQLQIEISA-N -1 3 357.407 0.332 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@H]2CCCN3CCSC[C@@H]23)cn1 ZINC000928075756 673898285 /nfs/dbraw/zinc/89/82/85/673898285.db2.gz OWUSXYPKEGYTQZ-OLZOCXBDSA-N -1 3 370.500 0.763 10 0 FCAEHM O=C(NCCc1c(F)cc([O-])cc1F)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000929750931 673975224 /nfs/dbraw/zinc/97/52/24/673975224.db2.gz ZIQMHJUEQKBHHX-SNVBAGLBSA-N -1 3 353.369 0.682 10 0 FCAEHM COC(=O)C1CC2(C1)CN(C(=O)CN1[C@H](C)CC[C@@H]1C)C[C@@H]2C(=O)[O-] ZINC000902747250 675890559 /nfs/dbraw/zinc/89/05/59/675890559.db2.gz SFBUEPVRIJNAHB-ZPBACHKLSA-N -1 3 352.431 0.972 10 0 FCAEHM Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)n1 ZINC001648891200 1169101914 /nfs/dbraw/zinc/10/19/14/1169101914.db2.gz VGGANWUSLDTWMQ-KGLIPLIRSA-N -1 3 360.414 0.548 10 0 FCAEHM CCC[C@H](OC)C(=O)N1C[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@]2(C)C1 ZINC001719685383 1179370184 /nfs/dbraw/zinc/37/01/84/1179370184.db2.gz JRFSFMFRUFMIRU-XAYKYTGQSA-N -1 3 362.430 0.918 10 0 FCAEHM COCCC1(C(=O)N2C[C@@H](CNC(=O)c3cnc[n-]c3=O)[C@H](C)C2)CC1 ZINC001719716825 1179746268 /nfs/dbraw/zinc/74/62/68/1179746268.db2.gz BZVBUSAKPPHLRO-CHWSQXEVSA-N -1 3 362.430 0.823 10 0 FCAEHM CN(CCNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001745194321 1181449270 /nfs/dbraw/zinc/44/92/70/1181449270.db2.gz MVTBVWCSAVKSBS-DFBGVHRSSA-N -1 3 371.393 0.326 10 0 FCAEHM O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCCC[C@H]1CCNCc1n[nH]c(=O)[n-]1 ZINC001482454279 1189560086 /nfs/dbraw/zinc/56/00/86/1189560086.db2.gz QTOYWWDONHKCGZ-GNIPQWQFSA-N -1 3 361.446 0.795 10 0 FCAEHM O=C(NC[C@]12OCCC[C@H]1C2(F)F)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000895786282 1189882826 /nfs/dbraw/zinc/88/28/26/1189882826.db2.gz QEEREYLGIZOQBU-RWSFTLGLSA-N -1 3 369.372 0.874 10 0 FCAEHM CN(C)c1nc(C(=O)NCCCN2C(=O)c3ccccc3C2=O)cc(=O)[n-]1 ZINC000553191045 1193977419 /nfs/dbraw/zinc/97/74/19/1193977419.db2.gz XNGTUWOLGRLXRK-UHFFFAOYSA-N -1 3 369.381 0.664 10 0 FCAEHM CNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000744724782 1198326188 /nfs/dbraw/zinc/32/61/88/1198326188.db2.gz LYDYTVDAOIBOAF-PWSUYJOCSA-N -1 3 363.370 0.384 10 0 FCAEHM COC(=O)Nc1ccc(C(=O)OCC(=O)N[C@H](C)C(=O)N(C)C)cc1[O-] ZINC000745655687 1198395011 /nfs/dbraw/zinc/39/50/11/1198395011.db2.gz LOXZQIXQHPIVBK-SECBINFHSA-N -1 3 367.358 0.320 10 0 FCAEHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)[C@@H](C)N1C(=O)[C@@H]3CCCC[C@@H]3C1=O)C2 ZINC001168929701 1199041436 /nfs/dbraw/zinc/04/14/36/1199041436.db2.gz KAFNAIRIWZDHBA-JLLWLGSASA-N -1 3 358.398 0.897 10 0 FCAEHM COC(COCCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])OC ZINC000789913752 1201039704 /nfs/dbraw/zinc/03/97/04/1201039704.db2.gz CJFIUANKXDNWHN-AWEZNQCLSA-N -1 3 366.414 0.749 10 0 FCAEHM CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001144502056 1204542249 /nfs/dbraw/zinc/54/22/49/1204542249.db2.gz FQENOGWHYNVQDK-JTQLQIEISA-N -1 3 367.406 0.072 10 0 FCAEHM O=C([C@H]1CC(=O)N(Cc2ccccn2)C1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001144503068 1204542610 /nfs/dbraw/zinc/54/26/10/1204542610.db2.gz RDRWCNXVFPCFFV-OLZOCXBDSA-N -1 3 355.398 0.875 10 0 FCAEHM COC[C@@H]1C[C@@H](O)CN1C(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC000846436294 1204623844 /nfs/dbraw/zinc/62/38/44/1204623844.db2.gz RKNMFNWTMZVQLY-QWHCGFSZSA-N -1 3 363.345 0.096 10 0 FCAEHM COC[C@@H]1C[C@@H](O)CN1C(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000846436294 1204623848 /nfs/dbraw/zinc/62/38/48/1204623848.db2.gz RKNMFNWTMZVQLY-QWHCGFSZSA-N -1 3 363.345 0.096 10 0 FCAEHM COC(=O)[C@H]1CN(Cc2cc(=O)oc3cc([O-])ccc23)C[C@@H]1C(=O)OC ZINC001176903410 1206325726 /nfs/dbraw/zinc/32/57/26/1206325726.db2.gz ZKNRPUJXYVZGRL-KBPBESRZSA-N -1 3 361.350 0.893 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)[C@H](C)NC(=O)c3ccoc3)CC2)n1 ZINC001178039591 1206352239 /nfs/dbraw/zinc/35/22/39/1206352239.db2.gz ZZXUDCYOYLOBDE-LBPRGKRZSA-N -1 3 359.386 0.551 10 0 FCAEHM CCC[C@@H]1C[C@H]1C(=O)N(C)C[C@@H](O)CNC(=O)c1cccc2n[n-]nc21 ZINC001488406098 1208508442 /nfs/dbraw/zinc/50/84/42/1208508442.db2.gz QTYHKCJCKZUQJR-MBNYWOFBSA-N -1 3 359.430 0.943 10 0 FCAEHM CC[C@H](NCc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)n1)C(N)=O ZINC001489076456 1208620026 /nfs/dbraw/zinc/62/00/26/1208620026.db2.gz LSNKRCNRGRKBMJ-UPJWGTAASA-N -1 3 363.462 0.834 10 0 FCAEHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)[C@@H]1C ZINC001489247363 1208687601 /nfs/dbraw/zinc/68/76/01/1208687601.db2.gz NBRIWKVYHSASIU-RWSFTLGLSA-N -1 3 361.446 0.663 10 0 FCAEHM CCOCC(=O)N[C@@H]1CN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C[C@H]1C ZINC001489428705 1208826040 /nfs/dbraw/zinc/82/60/40/1208826040.db2.gz HIDLOKIKVASGAG-QMTHXVAHSA-N -1 3 359.382 0.183 10 0 FCAEHM COCCCC(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2c(C)nc(C)[n-]c2=O)C1 ZINC001489453282 1208840674 /nfs/dbraw/zinc/84/06/74/1208840674.db2.gz SWDAOMSWNLMQSB-IAQYHMDHSA-N -1 3 364.446 0.731 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](C)[C@H](NC(=O)CCc2ccncn2)C1 ZINC001489458133 1208843359 /nfs/dbraw/zinc/84/33/59/1208843359.db2.gz DZZNCGDMCVMTSN-BXUZGUMPSA-N -1 3 370.413 0.490 10 0 FCAEHM CO[C@@H]1CN(C(=O)CCC(C)(F)F)C[C@H]1NC(=O)c1cnc[n-]c1=O ZINC001489528934 1208883899 /nfs/dbraw/zinc/88/38/99/1208883899.db2.gz PYXQTSUWELYPEG-GHMZBOCLSA-N -1 3 358.345 0.573 10 0 FCAEHM CCC[C@H](C)CC(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@@H]1O ZINC001489563219 1208931895 /nfs/dbraw/zinc/93/18/95/1208931895.db2.gz GABJMTFIFYLDIY-UHTWSYAYSA-N -1 3 350.419 0.618 10 0 FCAEHM C[C@H](CC(F)F)C(=O)N1C[C@@H](NC(=O)c2cccc3n[n-]nc32)[C@@H](O)C1 ZINC001489583324 1208998267 /nfs/dbraw/zinc/99/82/67/1208998267.db2.gz IDZLIMNDNNCBFO-FXAINCCUSA-N -1 3 367.356 0.551 10 0 FCAEHM C[C@@H]1CCN(C(=O)c2nnc3ccccc3c2[O-])[C@H](CNC(=O)C(N)=O)C1 ZINC001489960619 1209182390 /nfs/dbraw/zinc/18/23/90/1209182390.db2.gz CDTDKOQVSIXHGD-MNOVXSKESA-N -1 3 371.397 0.178 10 0 FCAEHM CO[C@@H](C)C(=O)NCc1cc(=O)[n-]c(CNC(=O)C[C@@H]2C[C@H]2C2CC2)n1 ZINC001489968572 1209184789 /nfs/dbraw/zinc/18/47/89/1209184789.db2.gz PEELJPJOVUAYDV-JKOKRWQUSA-N -1 3 362.430 0.886 10 0 FCAEHM CC(C)C(=O)NCc1nc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc(=O)[n-]1 ZINC001489972852 1209185546 /nfs/dbraw/zinc/18/55/46/1209185546.db2.gz BDNSQFAHPSSZDJ-CRQFQMBKSA-N -1 3 360.414 0.494 10 0 FCAEHM COCCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c(C)nc(C)[n-]c1=O)C2 ZINC001490614284 1209389565 /nfs/dbraw/zinc/38/95/65/1209389565.db2.gz YIAJREKZJSQQPN-SNPRPXQTSA-N -1 3 362.430 0.626 10 0 FCAEHM O=C(CCCn1ccnn1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc[n-]c1=O)C2 ZINC001490637580 1209397158 /nfs/dbraw/zinc/39/71/58/1209397158.db2.gz JNWPJKXJQRYJAM-XBFCOCLRSA-N -1 3 371.401 0.116 10 0 FCAEHM CC(=O)N[C@H](CC(C)C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn[n-]n1)C2 ZINC001490651409 1209403982 /nfs/dbraw/zinc/40/39/82/1209403982.db2.gz NIVNLUZBRABVGF-COMQUAJESA-N -1 3 362.434 0.217 10 0 FCAEHM CCC(CC)C(=O)NCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn[n-]n1)C2 ZINC001490652496 1209404642 /nfs/dbraw/zinc/40/46/42/1209404642.db2.gz UBPIANSRPTXCKW-DYEKYZERSA-N -1 3 362.434 0.219 10 0 FCAEHM CCO[N-]C(=O)CNCc1c[nH]nc1CN1C(=O)c2ccccc2C1=O ZINC000858184988 1209779832 /nfs/dbraw/zinc/77/98/32/1209779832.db2.gz ZIGRNVBRBXNDQI-UHFFFAOYSA-N -1 3 357.370 0.363 10 0 FCAEHM CCOC(=O)C[C@H](O)COC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000859498290 1209823366 /nfs/dbraw/zinc/82/33/66/1209823366.db2.gz ICEVJDCREYUAOS-GXTWGEPZSA-N -1 3 365.382 0.854 10 0 FCAEHM NC(=O)c1ccc(CC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cn1 ZINC000860047503 1209837378 /nfs/dbraw/zinc/83/73/78/1209837378.db2.gz FQRWHXGADJIADU-UHFFFAOYSA-N -1 3 368.393 0.413 10 0 FCAEHM CN(C)CCN(CC(=O)N(C)C)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000927783764 1211581077 /nfs/dbraw/zinc/58/10/77/1211581077.db2.gz CJFXPJSUBZXITN-UHFFFAOYSA-N -1 3 372.416 0.874 10 0 FCAEHM CN1CCN(Cc2ccccc2)[C@H](CNC(=O)CCCc2nnn[n-]2)C1 ZINC000636241925 1213024130 /nfs/dbraw/zinc/02/41/30/1213024130.db2.gz GUQPBBANZUPADX-MRXNPFEDSA-N -1 3 357.462 0.455 10 0 FCAEHM CN1CCN(Cc2ccccc2)[C@H](CNC(=O)CCCc2nn[n-]n2)C1 ZINC000636241925 1213024134 /nfs/dbraw/zinc/02/41/34/1213024134.db2.gz GUQPBBANZUPADX-MRXNPFEDSA-N -1 3 357.462 0.455 10 0 FCAEHM CC(=O)N1CCN(C(=O)CN2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)CC1 ZINC001118177324 1221726960 /nfs/dbraw/zinc/72/69/60/1221726960.db2.gz PROIRLYQWPZHEN-SJORKVTESA-N -1 3 359.426 0.477 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])N1C[C@H](O)CC(F)(F)C1 ZINC000830818304 1222482698 /nfs/dbraw/zinc/48/26/98/1222482698.db2.gz NXZOVDYFYWAGGH-LLVKDONJSA-N -1 3 369.299 0.716 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c([O-])cc1=O)N1C[C@H](O)CC(F)(F)C1 ZINC000830818304 1222482702 /nfs/dbraw/zinc/48/27/02/1222482702.db2.gz NXZOVDYFYWAGGH-LLVKDONJSA-N -1 3 369.299 0.716 10 0 FCAEHM CC(C)(C)OC(=O)NCCn1cc(C(=O)NCc2ncccc2[O-])nn1 ZINC000834781408 1222588527 /nfs/dbraw/zinc/58/85/27/1222588527.db2.gz INSMCHOZMUQWRA-UHFFFAOYSA-N -1 3 362.390 0.833 10 0 FCAEHM COc1ccc(C(=O)NCCCc2c[n-][nH]c2=O)cc1N1CCNC1=O ZINC001149262822 1222881250 /nfs/dbraw/zinc/88/12/50/1222881250.db2.gz PCXJOZZOGVXGQM-GFCCVEGCSA-N -1 3 359.386 0.467 10 0 FCAEHM COc1ccc(Cn2nnc(C(=O)NCCCc3c[n-][nH]c3=O)c2C)cc1 ZINC001149262793 1222881482 /nfs/dbraw/zinc/88/14/82/1222881482.db2.gz OYEMZPSQIDSQDS-AWEZNQCLSA-N -1 3 370.413 0.885 10 0 FCAEHM O=C(COC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)N1CCOC[C@@H]1C1CC1 ZINC000766101424 1245306083 /nfs/dbraw/zinc/30/60/83/1245306083.db2.gz UEVYCTRGTAKMKA-CQSZACIVSA-N -1 3 358.350 0.364 10 0 FCAEHM COC(=O)c1cc(C(=O)O[C@H]2CCN(CC(=O)OC(C)(C)C)C2=O)c[n-]1 ZINC000849784039 1245415453 /nfs/dbraw/zinc/41/54/53/1245415453.db2.gz YMGDPRJNGXODHZ-LBPRGKRZSA-N -1 3 366.370 0.901 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)NCc1nc(CNC(=O)CCCF)cc(=O)[n-]1 ZINC001519541773 1265729316 /nfs/dbraw/zinc/72/93/16/1265729316.db2.gz VCTJOZZYDLSVEC-BZNIZROVSA-N -1 3 368.409 0.979 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)CC[C@]1(C)CCC(=O)N1 ZINC001519920231 1265801456 /nfs/dbraw/zinc/80/14/56/1265801456.db2.gz DTTLSHYLAICYFM-PPHDSNJXSA-N -1 3 362.434 0.363 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)CNC(=O)CCC(C)C ZINC001519919941 1265802621 /nfs/dbraw/zinc/80/26/21/1265802621.db2.gz CPKDHAYIELCEOX-GXTWGEPZSA-N -1 3 364.450 0.466 10 0 FCAEHM CN1CC(N2CCN(C(=O)c3c[n-]c4c(F)cc(F)cc4c3=O)CC2)C1 ZINC001520660956 1265960629 /nfs/dbraw/zinc/96/06/29/1265960629.db2.gz WOIHGBDDKOLRJD-UHFFFAOYSA-N -1 3 362.380 0.878 10 0 FCAEHM CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC001330504544 1266042092 /nfs/dbraw/zinc/04/20/92/1266042092.db2.gz GFVZNAMAWYVNLM-GFCCVEGCSA-N -1 3 364.402 0.288 10 0 FCAEHM CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC001330504546 1266042866 /nfs/dbraw/zinc/04/28/66/1266042866.db2.gz GFVZNAMAWYVNLM-LBPRGKRZSA-N -1 3 364.402 0.288 10 0 FCAEHM O=C([C@@H]1COCCN1CC(F)(F)F)N1CCC(Cc2nnn[n-]2)CC1 ZINC001521868603 1266195837 /nfs/dbraw/zinc/19/58/37/1266195837.db2.gz VUQFEICHFXUZIO-NSHDSACASA-N -1 3 362.356 0.244 10 0 FCAEHM O=C([C@@H]1COCCN1CC(F)(F)F)N1CCC(Cc2nn[n-]n2)CC1 ZINC001521868603 1266195840 /nfs/dbraw/zinc/19/58/40/1266195840.db2.gz VUQFEICHFXUZIO-NSHDSACASA-N -1 3 362.356 0.244 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CNC(=O)CCc1cncnc1 ZINC001521927840 1266233485 /nfs/dbraw/zinc/23/34/85/1266233485.db2.gz JDMIWGZKCSAGFW-TZMCWYRMSA-N -1 3 370.413 0.429 10 0 FCAEHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)Cn1ncc2cccnc21 ZINC001128101391 1259192599 /nfs/dbraw/zinc/19/25/99/1259192599.db2.gz XVQNVNYASXZASO-UHFFFAOYSA-N -1 3 357.326 0.971 10 0 FCAEHM CCO[C@H](C)C(=O)NCC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001521970511 1266265409 /nfs/dbraw/zinc/26/54/09/1266265409.db2.gz DRAOTJATGLLWHU-JHJVBQTASA-N -1 3 350.419 0.822 10 0 FCAEHM CCOC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)C1 ZINC001251450706 1259748557 /nfs/dbraw/zinc/74/85/57/1259748557.db2.gz DVNDXYVVASOGGR-OLZOCXBDSA-N -1 3 363.418 0.746 10 0 FCAEHM CN(Cc1cccc(C(N)=O)c1)C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001251450639 1259748781 /nfs/dbraw/zinc/74/87/81/1259748781.db2.gz BQWXWNIAUISUQE-CQSZACIVSA-N -1 3 370.413 0.701 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CC(O)(c2ccccc2)C1 ZINC001251451127 1259749308 /nfs/dbraw/zinc/74/93/08/1259749308.db2.gz PSPACKXNGGFJNX-AWEZNQCLSA-N -1 3 355.398 0.674 10 0 FCAEHM COC[C@]1(C(=O)N2C[C@H](C(=O)[O-])C[C@H](c3cnn(C)c3)C2)CCCCN1 ZINC001331846985 1266294418 /nfs/dbraw/zinc/29/44/18/1266294418.db2.gz ZLLBIEFXZQNANL-IYOUNJFTSA-N -1 3 364.446 0.596 10 0 FCAEHM CS(=O)(=O)c1ccc(-c2nc(CS(=O)(=O)c3nnc[n-]3)co2)cc1 ZINC001336066486 1259961790 /nfs/dbraw/zinc/96/17/90/1259961790.db2.gz ICCUMKZHXQZZKX-UHFFFAOYSA-N -1 3 368.396 0.837 10 0 FCAEHM CC(C)(C)CC(=O)NCC(=O)NC[C@H]1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001264492182 1260374916 /nfs/dbraw/zinc/37/49/16/1260374916.db2.gz HQYNJFDATOWZJU-NWDGAFQWSA-N -1 3 366.466 0.437 10 0 FCAEHM Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@H](CO)CNC(=O)c1ccccc1[O-] ZINC001337526400 1260422854 /nfs/dbraw/zinc/42/28/54/1260422854.db2.gz ANUFURHZTKXNLN-IACUBPJLSA-N -1 3 358.398 0.136 10 0 FCAEHM O=C([O-])[C@H]1CC[C@@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)O1 ZINC001332207615 1266357197 /nfs/dbraw/zinc/35/71/97/1266357197.db2.gz KJIRBMQCFNQFLN-VVLHAWIVSA-N -1 3 362.426 0.618 10 0 FCAEHM O=C(C[C@@H]1C[C@H]1c1ccccc1)N[C@@H](CO)CNC(=O)c1cnc[n-]c1=O ZINC001281092827 1261086778 /nfs/dbraw/zinc/08/67/78/1261086778.db2.gz GEIUWKMMQMBEIC-ZNMIVQPWSA-N -1 3 370.409 0.583 10 0 FCAEHM O=C(NCC(F)F)C(=O)N1C[C@H]2CCN(C(=O)c3ccccc3[O-])C[C@H]21 ZINC001281973100 1261315673 /nfs/dbraw/zinc/31/56/73/1261315673.db2.gz QTKCXNDLYNPJRA-ZYHUDNBSSA-N -1 3 367.352 0.446 10 0 FCAEHM CNC(=O)C1(C(=O)N2C[C@H]3CCN(C(=O)c4ccccc4[O-])C[C@H]32)CCC1 ZINC001281976868 1261317142 /nfs/dbraw/zinc/31/71/42/1261317142.db2.gz CJDRRUSLEHKODK-UKRRQHHQSA-N -1 3 371.437 0.981 10 0 FCAEHM CC(C)N(C)C(=O)C1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cn[n-]n2)C3)CC1 ZINC001522177961 1266401260 /nfs/dbraw/zinc/40/12/60/1266401260.db2.gz VDDVTFDHQDJNPI-DYEKYZERSA-N -1 3 374.445 0.313 10 0 FCAEHM O=C(NCc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)n1)C(F)F ZINC001282231999 1261387744 /nfs/dbraw/zinc/38/77/44/1261387744.db2.gz GAXFYCXLZRDZGG-DUYQIWHPSA-N -1 3 368.340 0.103 10 0 FCAEHM COCCCn1nc(C(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)ccc1=O ZINC001472110034 1261437473 /nfs/dbraw/zinc/43/74/73/1261437473.db2.gz BDXYDKDKYKOABN-MRVPVSSYSA-N -1 3 374.323 0.908 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CNC(=O)CC[C@@H]1CCCO1 ZINC001282461369 1261465339 /nfs/dbraw/zinc/46/53/39/1261465339.db2.gz NLWDKEXDXQEZIG-MCIONIFRSA-N -1 3 362.430 0.966 10 0 FCAEHM C[C@@H]1C[C@H](C(=O)NCC(=O)Nc2cccc3c(=O)[nH][n-]c(=O)c23)[C@@H](C)O1 ZINC001472495971 1261470756 /nfs/dbraw/zinc/47/07/56/1261470756.db2.gz HDGKDIJVSAJLOH-KKZNHRDASA-N -1 3 360.370 0.909 10 0 FCAEHM Cn1cc(N2C[C@@H](C(=O)Nc3n[n-]c(SCCO)n3)CCC2=O)cn1 ZINC001472527491 1261472747 /nfs/dbraw/zinc/47/27/47/1261472747.db2.gz TVNLVMAMCQUSCO-VIFPVBQESA-N -1 3 365.419 0.004 10 0 FCAEHM Cn1c(-c2noc(=O)[n-]2)nnc1N1CCC(CCN2CCOCC2)CC1 ZINC001345107312 1261635825 /nfs/dbraw/zinc/63/58/25/1261635825.db2.gz FPJUSXKUXULXFF-UHFFFAOYSA-N -1 3 363.422 0.097 10 0 FCAEHM CC(=O)N(C)CCCC(=O)N1CC[C@H](NC(=O)c2cnc[n-]c2=O)[C@H]1C ZINC001345441261 1261709037 /nfs/dbraw/zinc/70/90/37/1261709037.db2.gz SYXHVTUDMCFHIB-RISCZKNCSA-N -1 3 363.418 0.160 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)COc2cccnc2)CCN1C(=O)c1cnc[n-]c1=O ZINC001345492752 1261722510 /nfs/dbraw/zinc/72/25/10/1261722510.db2.gz NCXXJKVXRHDGEX-RISCZKNCSA-N -1 3 357.370 0.375 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@@H](NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C1CC1 ZINC001283957549 1261723908 /nfs/dbraw/zinc/72/39/08/1261723908.db2.gz JLGZLNQNWCNDNV-TTZDDIAXSA-N -1 3 374.441 0.930 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@H](NC(=O)[C@H]1OCCO[C@H]1C)C(C)C ZINC001285339071 1261833405 /nfs/dbraw/zinc/83/34/05/1261833405.db2.gz YMCMOZHDTJNDSP-OBJOEFQTSA-N -1 3 366.418 0.165 10 0 FCAEHM C[C@H](CNC(=O)c1cccc2n[n-]nc21)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001285676551 1261864640 /nfs/dbraw/zinc/86/46/40/1261864640.db2.gz IPTFBRXTZUTVDV-PQLQOZPYSA-N -1 3 355.398 0.616 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N(C)[C@H](C)CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001285780941 1261877563 /nfs/dbraw/zinc/87/75/63/1261877563.db2.gz QWGIQUQPVNSKBP-YVLXSGLVSA-N -1 3 362.430 0.882 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NCC1(NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CC1 ZINC001285955063 1261897244 /nfs/dbraw/zinc/89/72/44/1261897244.db2.gz YIYUTPRTFDDVEI-QWHCGFSZSA-N -1 3 370.413 0.406 10 0 FCAEHM CC(C)C[C@@H]1C[C@H]1C(=O)NC1(CCO)CN(C(=O)c2cnc[n-]c2=O)C1 ZINC001285977039 1261901993 /nfs/dbraw/zinc/90/19/93/1261901993.db2.gz YCNUWAZSBRYPEW-CHWSQXEVSA-N -1 3 362.430 0.558 10 0 FCAEHM C[C@H](CCCNC(=O)c1ccccc1[O-])NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001287331158 1261951226 /nfs/dbraw/zinc/95/12/26/1261951226.db2.gz GHRBTZNJDBWOAX-BYCMXARLSA-N -1 3 363.414 0.440 10 0 FCAEHM C[C@@H](Oc1ccccn1)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001289365795 1262184976 /nfs/dbraw/zinc/18/49/76/1262184976.db2.gz HMMSWAMQPBWZHE-YRGRVCCFSA-N -1 3 371.397 0.621 10 0 FCAEHM CO[C@@H]1CN(C(=O)C2(CC(C)C)CC2)C[C@H]1NC(=O)c1cnc[n-]c1=O ZINC001289501626 1262225239 /nfs/dbraw/zinc/22/52/39/1262225239.db2.gz RPSDVSMFEISYGF-ZIAGYGMSSA-N -1 3 362.430 0.964 10 0 FCAEHM CC/C(C)=C\C(=O)N1C[C@@H](NC(=O)CCc2c(C)nc[n-]c2=O)[C@@H](O)C1 ZINC001289674149 1262300731 /nfs/dbraw/zinc/30/07/31/1262300731.db2.gz HTZVJDMVXJEQCZ-PHACEPHWSA-N -1 3 362.430 0.467 10 0 FCAEHM COCC1(CC(=O)N2CC[C@@H]3CN(C(=O)c4cnc[n-]c4=O)[C@@H]3C2)CC1 ZINC001289815550 1262348560 /nfs/dbraw/zinc/34/85/60/1262348560.db2.gz BQCVQZZOQMETJN-TZMCWYRMSA-N -1 3 360.414 0.672 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)NCc1cc(=O)[n-]c(CNC(=O)CCOC)n1 ZINC001290363531 1262433123 /nfs/dbraw/zinc/43/31/23/1262433123.db2.gz VUDLBUFMSLWALX-OLZOCXBDSA-N -1 3 366.418 0.266 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](N(CCO)C(=O)c2cnc[n-]c2=O)C1 ZINC001290488010 1262454283 /nfs/dbraw/zinc/45/42/83/1262454283.db2.gz WFBDKYISPBDFRP-MGPQQGTHSA-N -1 3 362.430 0.654 10 0 FCAEHM O=C(N[C@@H]1CCCCNC1=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001290845161 1262519561 /nfs/dbraw/zinc/51/95/61/1262519561.db2.gz LFWKZJLXSKTVGH-GFCCVEGCSA-N -1 3 360.345 0.272 10 0 FCAEHM O=C(N[C@@H]1CCCCNC1=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001290845161 1262519563 /nfs/dbraw/zinc/51/95/63/1262519563.db2.gz LFWKZJLXSKTVGH-GFCCVEGCSA-N -1 3 360.345 0.272 10 0 FCAEHM CNC(=O)NCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccccc1[O-] ZINC001292082451 1262643007 /nfs/dbraw/zinc/64/30/07/1262643007.db2.gz KYTFGNWPIJTDPH-BNOWGMLFSA-N -1 3 360.414 0.573 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C ZINC001292969043 1262707163 /nfs/dbraw/zinc/70/71/63/1262707163.db2.gz BNEKSMUKHUHBCF-CHWSQXEVSA-N -1 3 367.450 0.166 10 0 FCAEHM COC(=O)[C@@H]1CO[C@H](CCC(=O)NCCNC(=O)c2ccc([O-])cc2)C1 ZINC001294908177 1262750335 /nfs/dbraw/zinc/75/03/35/1262750335.db2.gz CLARPSKXVKVGOX-DZGCQCFKSA-N -1 3 364.398 0.597 10 0 FCAEHM COc1nnc(NC(=O)C2(C3(O)CN(C(=O)OC(C)(C)C)C3)CCC2)[n-]1 ZINC001295100665 1262756994 /nfs/dbraw/zinc/75/69/94/1262756994.db2.gz VCKHPLKHLWFBEY-UHFFFAOYSA-N -1 3 367.406 0.904 10 0 FCAEHM COc1nc(NC(=O)C2(C3(O)CN(C(=O)OC(C)(C)C)C3)CCC2)n[n-]1 ZINC001295100665 1262756999 /nfs/dbraw/zinc/75/69/99/1262756999.db2.gz VCKHPLKHLWFBEY-UHFFFAOYSA-N -1 3 367.406 0.904 10 0 FCAEHM COc1n[n-]c(NC(=O)C2(C3(O)CN(C(=O)OC(C)(C)C)C3)CCC2)n1 ZINC001295100665 1262757004 /nfs/dbraw/zinc/75/70/04/1262757004.db2.gz VCKHPLKHLWFBEY-UHFFFAOYSA-N -1 3 367.406 0.904 10 0 FCAEHM C[C@H](CNC(=O)c1c[n-]c2ccccc2c1=O)NC(=O)[C@]12C[C@H]1COC2 ZINC001295557109 1262770659 /nfs/dbraw/zinc/77/06/59/1262770659.db2.gz XCQLZIAMUIIQOT-UFYHVXEKSA-N -1 3 355.394 0.799 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)NC(=O)CCc1c(C)nc[n-]c1=O ZINC001298820815 1262943843 /nfs/dbraw/zinc/94/38/43/1262943843.db2.gz WABGHGQMCYHZBU-GLQYFDAESA-N -1 3 364.446 0.859 10 0 FCAEHM CC(C)(C)n1nnc(CNC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)n1 ZINC001478888811 1263152269 /nfs/dbraw/zinc/15/22/69/1263152269.db2.gz SUPNECUFHRDBLI-SNVBAGLBSA-N -1 3 361.410 0.002 10 0 FCAEHM CCN(C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)[C@@H](C)CS(C)(=O)=O ZINC001479507004 1263234070 /nfs/dbraw/zinc/23/40/70/1263234070.db2.gz IBOSPJBGIATUPB-NWDGAFQWSA-N -1 3 371.463 0.226 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)CS(C)(=O)=O)CCN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001479699657 1263350754 /nfs/dbraw/zinc/35/07/54/1263350754.db2.gz IZNRWVVDNIERNH-MFKMUULPSA-N -1 3 368.459 0.183 10 0 FCAEHM CCC[C@@H](C)NC(=O)CN1CC[C@H](NC(=O)c2c(C)nc[n-]c2=O)[C@H]1C ZINC001479716189 1263378928 /nfs/dbraw/zinc/37/89/28/1263378928.db2.gz VTBBCRWOXTVVTB-BNOWGMLFSA-N -1 3 363.462 0.988 10 0 FCAEHM O=C(Cc1cnn2ccccc12)NC[C@H]1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001316652723 1263399363 /nfs/dbraw/zinc/39/93/63/1263399363.db2.gz OPYRCMUXYAECQD-GXTWGEPZSA-N -1 3 369.429 0.775 10 0 FCAEHM C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@H]1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001316657399 1263403515 /nfs/dbraw/zinc/40/35/15/1263403515.db2.gz MZHJJCAOQRFRCL-GRYCIOLGSA-N -1 3 366.466 0.436 10 0 FCAEHM CC(C)N(CCCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)Cc1nc(=O)n(C)[n-]1 ZINC001481352557 1263439021 /nfs/dbraw/zinc/43/90/21/1263439021.db2.gz BRVUUOPWALSNOO-OFQRWUPVSA-N -1 3 365.478 0.640 10 0 FCAEHM Cn1[n-]c(CNCCN(Cc2ccccc2)C(=O)[C@]23C[C@H]2COC3)nc1=O ZINC001484399231 1263469942 /nfs/dbraw/zinc/46/99/42/1263469942.db2.gz YLZBOFWBSZEXLB-KXBFYZLASA-N -1 3 371.441 0.263 10 0 FCAEHM CC(C)[C@@H](CCNC(=O)[C@@H]1CCO[C@H]1C1CC1)NCc1n[nH]c(=O)[n-]1 ZINC001485787470 1263516332 /nfs/dbraw/zinc/51/63/32/1263516332.db2.gz IIPKWIDNJPNMIR-NFAWXSAZSA-N -1 3 351.451 0.946 10 0 FCAEHM C[C@@H](CN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NCc1cc(=O)n2[n-]ccc2n1 ZINC001485903134 1263518101 /nfs/dbraw/zinc/51/81/01/1263518101.db2.gz JRWPINZLYSZJGV-ODRUYCQJSA-N -1 3 371.441 0.383 10 0 FCAEHM CC(C)C[C@H](CNCc1nc(=O)n(C)[n-]1)NC(=O)[C@]12CCC[C@H]1OCC2 ZINC001319619382 1263714537 /nfs/dbraw/zinc/71/45/37/1263714537.db2.gz LAABIWYNXPUWDP-LBTNJELSSA-N -1 3 365.478 0.688 10 0 FCAEHM Cc1cccc([C@@H]2C[C@H]2C(=O)NC/C=C\CNCc2nc(=O)n(C)[n-]2)c1 ZINC001321291409 1263931038 /nfs/dbraw/zinc/93/10/38/1263931038.db2.gz RITKTPUTRYKQSI-MYIWKSEUSA-N -1 3 355.442 0.983 10 0 FCAEHM COc1cccc([C@@H]2C[C@H]2C(=O)N[C@H](C)CNCc2nc(=O)n(C)[n-]2)c1 ZINC001321673463 1264031010 /nfs/dbraw/zinc/03/10/10/1264031010.db2.gz IQIMAGDOILSPSN-BYCMXARLSA-N -1 3 359.430 0.515 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@H](C)CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001500310148 1264064433 /nfs/dbraw/zinc/06/44/33/1264064433.db2.gz LHZDWPNISOHVFW-SRBZOADZSA-N -1 3 362.430 0.932 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NC[C@H](O)CNC(=O)CCc1c(C)nc[n-]c1=O ZINC001501577091 1264138003 /nfs/dbraw/zinc/13/80/03/1264138003.db2.gz YCZVZDVJZMSYCZ-YRGRVCCFSA-N -1 3 350.419 0.063 10 0 FCAEHM C[C@H](CNC(=O)c1cnc(C2CC2)[n-]c1=O)NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001502405659 1264171030 /nfs/dbraw/zinc/17/10/30/1264171030.db2.gz MBEXLYCUEGUQCH-YUSALJHKSA-N -1 3 370.413 0.821 10 0 FCAEHM O=C(CNC(=O)c1ccc([O-])cc1)Nc1ncn(Cc2cccnc2)n1 ZINC001322391367 1264188828 /nfs/dbraw/zinc/18/88/28/1264188828.db2.gz WDBOWPOUMRIKLM-UHFFFAOYSA-N -1 3 352.354 0.796 10 0 FCAEHM O=C(NC[C@@]1(O)CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1)c1ncccc1[O-] ZINC001506815764 1264343966 /nfs/dbraw/zinc/34/39/66/1264343966.db2.gz SMGJYLHZBBNWPE-FMTVUPSXSA-N -1 3 371.397 0.007 10 0 FCAEHM O=C(NC1(CCO)CN(C(=O)[C@@H]2C[C@H]2C2CC2)C1)c1cccc2n[n-]nc21 ZINC001509172911 1264441295 /nfs/dbraw/zinc/44/12/95/1264441295.db2.gz OEMDWWHPWYTGJR-UONOGXRCSA-N -1 3 369.425 0.697 10 0 FCAEHM CN(C[C@H](O)CNC(=O)c1cnc[n-]c1=O)C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001511575752 1264560391 /nfs/dbraw/zinc/56/03/91/1264560391.db2.gz BNSNJFLYOYQUDR-NQBHXWOUSA-N -1 3 350.419 0.414 10 0 FCAEHM COCCN(CCNC(=O)c1c(C)nc[n-]c1=O)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001511862572 1264596793 /nfs/dbraw/zinc/59/67/93/1264596793.db2.gz HGROJGFMSOGWJC-UONOGXRCSA-N -1 3 362.430 0.742 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H](C)CCCCNC(=O)[C@]12C[C@H]1COC2 ZINC001512708309 1264641031 /nfs/dbraw/zinc/64/10/31/1264641031.db2.gz TWRYPEMGWYXUNE-FNFWKMNBSA-N -1 3 362.430 0.932 10 0 FCAEHM CCC[C@@H](OC)C(=O)N1CC[C@H]2CN(C(=O)c3c(C)nc[n-]c3=O)C[C@H]21 ZINC001512832851 1264684048 /nfs/dbraw/zinc/68/40/48/1264684048.db2.gz GMLJDQKAAPTCAC-BFHYXJOUSA-N -1 3 362.430 0.979 10 0 FCAEHM CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001326240176 1265082305 /nfs/dbraw/zinc/08/23/05/1265082305.db2.gz LPCLNPNNDJCDOC-ZDUSSCGKSA-N -1 3 369.462 0.221 10 0 FCAEHM CC[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2cc(=O)c3ccccc3[n-]2)C[C@@H]1O ZINC001513452763 1265129931 /nfs/dbraw/zinc/12/99/31/1265129931.db2.gz YGXPBAGOHTULFZ-JGFGOQIWSA-N -1 3 357.410 0.876 10 0 FCAEHM CC(C)CC1(C(=O)N2C[C@@H](NC(=O)c3cnc[n-]c3=O)[C@@H](O)C2)CCC1 ZINC001513543794 1265194132 /nfs/dbraw/zinc/19/41/32/1265194132.db2.gz KYEAQJDZNVCTQT-KGLIPLIRSA-N -1 3 362.430 0.700 10 0 FCAEHM CCC[C@@H](CC(C)C)C(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1 ZINC001513545444 1265194847 /nfs/dbraw/zinc/19/48/47/1265194847.db2.gz QZMNXXWAXYTUBL-CFVMTHIKSA-N -1 3 364.446 0.946 10 0 FCAEHM CCCC[C@@](C)(F)C(=O)N1C[C@@H](NC(=O)c2c(C)nc[n-]c2=O)[C@@H](O)C1 ZINC001513612731 1265241640 /nfs/dbraw/zinc/24/16/40/1265241640.db2.gz VQHPIKKOACYMSW-BWACUDIHSA-N -1 3 368.409 0.711 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)NCCNC(=O)c1nnc2ccccc2c1[O-] ZINC001522725768 1266577529 /nfs/dbraw/zinc/57/75/29/1266577529.db2.gz MCGFNZYVZHUTLA-BZNIZROVSA-N -1 3 358.398 0.997 10 0 FCAEHM C/C(=C/C(=O)N[C@H]1CCN(c2nc(C)cc(=O)[n-]2)C1)CN1CCOCC1 ZINC001528887270 1267005296 /nfs/dbraw/zinc/00/52/96/1267005296.db2.gz YKGXKMOINANETO-CTXBLAANSA-N -1 3 361.446 0.464 10 0 FCAEHM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccnn1C)NC(=O)c1cccc2n[n-]nc21 ZINC001533741088 1267236430 /nfs/dbraw/zinc/23/64/30/1267236430.db2.gz JRQXSIRYYWFXAJ-RAIGVLPGSA-N -1 3 367.413 0.730 10 0 FCAEHM C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2nc(C(F)(F)F)n[n-]2)CCS1 ZINC001334951956 1267245546 /nfs/dbraw/zinc/24/55/46/1267245546.db2.gz UWCOVWMMQHXTOL-RQJHMYQMSA-N -1 3 351.354 0.840 10 0 FCAEHM C[C@@H]1C[C@H](NC(=O)C(=O)NCc2nc(C(F)(F)F)n[n-]2)CCS1 ZINC001334951955 1267246031 /nfs/dbraw/zinc/24/60/31/1267246031.db2.gz UWCOVWMMQHXTOL-RNFRBKRXSA-N -1 3 351.354 0.840 10 0 FCAEHM Cn1nnc(C(=O)[N-]c2ccccc2S(=O)(=O)N2CCCCC2)n1 ZINC001534428123 1267262614 /nfs/dbraw/zinc/26/26/14/1267262614.db2.gz JHTPCMSQYVXHNU-UHFFFAOYSA-N -1 3 350.404 0.637 10 0 FCAEHM O=C([N-]CCCN1CCN(C[C@@H]2CCCS2(=O)=O)CC1)C(F)(F)F ZINC001335027575 1267287409 /nfs/dbraw/zinc/28/74/09/1267287409.db2.gz SPLPHGYSADCWAM-LBPRGKRZSA-N -1 3 371.425 0.250 10 0 FCAEHM Cn1cc([C@H]2CSCCCN2C(=O)c2[nH]c(=O)[n-]c(=O)c2N)cn1 ZINC001536521941 1267329313 /nfs/dbraw/zinc/32/93/13/1267329313.db2.gz SINHGYSDCUEAOU-SECBINFHSA-N -1 3 350.404 0.524 10 0 FCAEHM CCO[N-]C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 ZINC001540568074 1267453244 /nfs/dbraw/zinc/45/32/44/1267453244.db2.gz MGQGWRCWNGYBFH-GRYCIOLGSA-N -1 3 362.448 0.724 10 0 FCAEHM CCN(C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl)[C@@H]1CC(=O)NC1=O ZINC001542442163 1267496490 /nfs/dbraw/zinc/49/64/90/1267496490.db2.gz LBLNCGPBGGZOLV-LLVKDONJSA-N -1 3 373.818 0.589 10 0 FCAEHM COc1nc(C(=O)[N-]c2cc(C(=O)NCCC(N)=O)ccc2F)co1 ZINC001542854512 1267509332 /nfs/dbraw/zinc/50/93/32/1267509332.db2.gz FABBAYNEWVQHHX-UHFFFAOYSA-N -1 3 350.306 0.680 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)CNC(=O)c1cnc(Cl)c(Cl)c1 ZINC001542942125 1267513284 /nfs/dbraw/zinc/51/32/84/1267513284.db2.gz QKDISSHYBOEMLU-SECBINFHSA-N -1 3 372.212 0.746 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)CNC(=O)c1cnc(Cl)c(Cl)c1 ZINC001542942126 1267513841 /nfs/dbraw/zinc/51/38/41/1267513841.db2.gz QKDISSHYBOEMLU-VIFPVBQESA-N -1 3 372.212 0.746 10 0 FCAEHM O=C(NCCN1C(=O)COc2ccccc21)c1ccc(-c2nnn[n-]2)cn1 ZINC001544636654 1267588350 /nfs/dbraw/zinc/58/83/50/1267588350.db2.gz BNBDUOVTGZBXRG-UHFFFAOYSA-N -1 3 365.353 0.417 10 0 FCAEHM O=C(NCCN1C(=O)COc2ccccc21)c1ccc(-c2nn[n-]n2)cn1 ZINC001544636654 1267588357 /nfs/dbraw/zinc/58/83/57/1267588357.db2.gz BNBDUOVTGZBXRG-UHFFFAOYSA-N -1 3 365.353 0.417 10 0 FCAEHM CC(C)C[C@@H]1C[C@H]1C(=O)N(C)C[C@H](O)CN(C)C(=O)c1cnc[n-]c1=O ZINC001338665230 1268031120 /nfs/dbraw/zinc/03/11/20/1268031120.db2.gz LUZHIOBJCJGZQQ-HZSPNIEDSA-N -1 3 364.446 0.756 10 0 FCAEHM CC(C)(C)[C@H](CNC(=O)c1cnc[n-]c1=O)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001338900343 1268117665 /nfs/dbraw/zinc/11/76/65/1268117665.db2.gz LHCFLBWAMMIJKA-JPNYFKRKSA-N -1 3 374.441 0.866 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC001339961196 1268388813 /nfs/dbraw/zinc/38/88/13/1268388813.db2.gz VRABSYMPCMNFBM-WCQYABFASA-N -1 3 356.448 0.257 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCCNS(=O)(=O)NC(C)C)c1 ZINC001556186422 1268826972 /nfs/dbraw/zinc/82/69/72/1268826972.db2.gz RWHAPNUUYXLTOY-UHFFFAOYSA-N -1 3 370.431 0.079 10 0 FCAEHM O=C(N[C@@H](CO)C(=O)NCCCc1cc(=O)[nH][n-]1)OCc1ccccc1 ZINC001556867970 1268901000 /nfs/dbraw/zinc/90/10/00/1268901000.db2.gz GJYKTAHIHUOLJW-AWEZNQCLSA-N -1 3 362.386 0.046 10 0 FCAEHM COCCn1cc(CNC(=O)c2cc([O-])ccc2Cl)c(=O)[nH]c1=O ZINC001558081577 1269021291 /nfs/dbraw/zinc/02/12/91/1269021291.db2.gz OGYYYRTTXLWYJM-UHFFFAOYSA-N -1 3 353.762 0.884 10 0 FCAEHM COC(=O)CC1CC(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC001558368426 1269079355 /nfs/dbraw/zinc/07/93/55/1269079355.db2.gz JKKMSXXIDJKLBS-UHFFFAOYSA-N -1 3 374.191 0.169 10 0 FCAEHM CO[C@@H](C(=O)OC(C)(C)C)C(=O)N1CCN(c2nc(C)cc(=O)[n-]2)CC1 ZINC001558398987 1269083757 /nfs/dbraw/zinc/08/37/57/1269083757.db2.gz KAKRCMHMCJABAG-CYBMUJFWSA-N -1 3 366.418 0.496 10 0 FCAEHM COC(=O)[C@@](C)(Cn1cnc2ccccc21)NC(=O)c1cnncc1[O-] ZINC001558577896 1269115940 /nfs/dbraw/zinc/11/59/40/1269115940.db2.gz DAISNDFVKDEUIW-QGZVFWFLSA-N -1 3 355.354 0.894 10 0 FCAEHM Cc1ccc2ncc(C(=O)N[C@@H]3CCN(c4cc(=O)[n-]cn4)C3)c(=O)n2c1 ZINC001558698352 1269132209 /nfs/dbraw/zinc/13/22/09/1269132209.db2.gz WXBHVPCRTHWTQO-GFCCVEGCSA-N -1 3 366.381 0.507 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)[C@@H](C)CNC(=O)OC(C)(C)C)[n-]1 ZINC001558965542 1269155169 /nfs/dbraw/zinc/15/51/69/1269155169.db2.gz AIGZZAMXWSZIGN-VIFPVBQESA-N -1 3 355.395 0.758 10 0 FCAEHM CCOC(=O)c1cn(CCNC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cn1 ZINC001558973992 1269157121 /nfs/dbraw/zinc/15/71/21/1269157121.db2.gz LCGCDGUTGZBTTO-UHFFFAOYSA-N -1 3 356.338 0.373 10 0 FCAEHM Cc1nc(C)c(CC(=O)N2CCC(CNS(C)(=O)=O)CC2)c(=O)[n-]1 ZINC001341713356 1269164632 /nfs/dbraw/zinc/16/46/32/1269164632.db2.gz DZJNIGOOUSYCJR-UHFFFAOYSA-N -1 3 356.448 0.129 10 0 FCAEHM O=C(NCCOCCCO)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC001341805832 1269219333 /nfs/dbraw/zinc/21/93/33/1269219333.db2.gz ACTRETYHQUZZIZ-UHFFFAOYSA-N -1 3 360.407 0.395 10 0 FCAEHM c1ccc(Cn2c(CCc3nnn[n-]3)nnc2N2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC001341987308 1269292335 /nfs/dbraw/zinc/29/23/35/1269292335.db2.gz FKBOPPGMWCXTQP-GASCZTMLSA-N -1 3 366.429 0.992 10 0 FCAEHM c1ccc(Cn2c(CCc3nn[n-]n3)nnc2N2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC001341987308 1269292345 /nfs/dbraw/zinc/29/23/45/1269292345.db2.gz FKBOPPGMWCXTQP-GASCZTMLSA-N -1 3 366.429 0.992 10 0 FCAEHM CO[C@H](C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2c(C)nc(C)[n-]c2=O)C1 ZINC001342191814 1269390471 /nfs/dbraw/zinc/39/04/71/1269390471.db2.gz NNCWCJVXADZWJH-UEKVPHQBSA-N -1 3 364.446 0.730 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)N[C@@H]1COC(=O)C1 ZINC001564401744 1269419549 /nfs/dbraw/zinc/41/95/49/1269419549.db2.gz MZEGNXUAKSHVSS-ZETCQYMHSA-N -1 3 367.836 0.295 10 0 FCAEHM O=C(NCc1cc2c([nH]c1=O)CCC2)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001565095523 1269451313 /nfs/dbraw/zinc/45/13/13/1269451313.db2.gz KKPNLJCOUGYJLT-ZDUSSCGKSA-N -1 3 370.413 0.850 10 0 FCAEHM CC[C@@H](F)CNCc1cc(=O)[n-]c(CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)n1 ZINC001565991627 1269541981 /nfs/dbraw/zinc/54/19/81/1269541981.db2.gz ODNUPYXZVPKGLA-GRYCIOLGSA-N -1 3 367.425 0.538 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCN(c3nc(N)ns3)CC2)c1 ZINC001566251554 1269625284 /nfs/dbraw/zinc/62/52/84/1269625284.db2.gz GKUGZWZCNXMNHB-UHFFFAOYSA-N -1 3 374.426 0.913 10 0 FCAEHM O=C(C1=C2CCCN=C2NN1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001566303996 1269630322 /nfs/dbraw/zinc/63/03/22/1269630322.db2.gz NDPLEAWKTYHFSN-UHFFFAOYSA-N -1 3 355.398 0.231 10 0 FCAEHM C[C@@H](CO[N-]C(=O)[C@H]1CCC2N=NC(=O)N2C1)NC(=O)OC(C)(C)C ZINC001566455922 1269644712 /nfs/dbraw/zinc/64/47/12/1269644712.db2.gz WEDATJOZKOADEQ-UWVGGRQHSA-N -1 3 355.395 0.507 10 0 FCAEHM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001566461544 1269645732 /nfs/dbraw/zinc/64/57/32/1269645732.db2.gz ALALWCRYEDGFKN-CHWSQXEVSA-N -1 3 374.372 0.518 10 0 FCAEHM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001566461544 1269645735 /nfs/dbraw/zinc/64/57/35/1269645735.db2.gz ALALWCRYEDGFKN-CHWSQXEVSA-N -1 3 374.372 0.518 10 0 FCAEHM CN(CCc1cnccn1)C(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001567003161 1269672648 /nfs/dbraw/zinc/67/26/48/1269672648.db2.gz IOTCOKQHSUSCCU-UHFFFAOYSA-N -1 3 369.356 0.979 10 0 FCAEHM CN(CCc1cnccn1)C(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001567003161 1269672653 /nfs/dbraw/zinc/67/26/53/1269672653.db2.gz IOTCOKQHSUSCCU-UHFFFAOYSA-N -1 3 369.356 0.979 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])N1CCN2CCOC[C@H]2C1 ZINC001567417149 1269693125 /nfs/dbraw/zinc/69/31/25/1269693125.db2.gz KWAMQOFWIYOTHI-CQSZACIVSA-N -1 3 374.372 0.031 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c([O-])cc1=O)N1CCN2CCOC[C@H]2C1 ZINC001567417149 1269693131 /nfs/dbraw/zinc/69/31/31/1269693131.db2.gz KWAMQOFWIYOTHI-CQSZACIVSA-N -1 3 374.372 0.031 10 0 FCAEHM COC[C@@H](C)CC(=O)N1C[C@@H](NC(=O)c2c(C)nc[n-]c2=O)[C@H](OC)C1 ZINC001343050338 1269746827 /nfs/dbraw/zinc/74/68/27/1269746827.db2.gz HRWFXUKMSFWURR-CYZMBNFOSA-N -1 3 366.418 0.119 10 0 FCAEHM C[C@H](CCCCNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)NC(=O)c1cn[n-]n1 ZINC001572741371 1270114249 /nfs/dbraw/zinc/11/42/49/1270114249.db2.gz HDZJWAAIKXHYLH-KWCYVHTRSA-N -1 3 359.434 0.747 10 0 FCAEHM CO[C@H](C)C(=O)NC[C@H]1CC[C@@H](NC(=O)CCc2c(C)nc[n-]c2=O)C1 ZINC001344250457 1270119823 /nfs/dbraw/zinc/11/98/23/1270119823.db2.gz QISKEJFYLLNJGE-HZSPNIEDSA-N -1 3 364.446 0.859 10 0 FCAEHM CCCC[C@](C)(F)C(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1O ZINC001572830029 1270211248 /nfs/dbraw/zinc/21/12/48/1270211248.db2.gz MMQMGIGCXVOGPP-QFSBIZTOSA-N -1 3 368.409 0.711 10 0 FCAEHM CC[C@@H](CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c(C)nc[n-]c2=O)C1)C(C)C ZINC001572849418 1270256917 /nfs/dbraw/zinc/25/69/17/1270256917.db2.gz ROMNLAHDFIGKPC-BFHYXJOUSA-N -1 3 364.446 0.864 10 0 FCAEHM C[C@@H]1CN(C(=O)CCCC(=O)N(C)C)C[C@H]1NC(=O)c1cnc[n-]c1=O ZINC001572902444 1270326427 /nfs/dbraw/zinc/32/64/27/1270326427.db2.gz GJWBHYMUMMBFNK-DGCLKSJQSA-N -1 3 363.418 0.017 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CN(C(=O)CCOCC2CC2)C[C@H]1C ZINC001572919029 1270348518 /nfs/dbraw/zinc/34/85/18/1270348518.db2.gz VDUPNJPSBKANGN-BXUZGUMPSA-N -1 3 362.430 0.884 10 0 FCAEHM CC(C)=CC(=O)N[C@@H]1CN(C(=O)c2nnc3ccccc3c2[O-])C[C@@H]1O ZINC001572974967 1270435702 /nfs/dbraw/zinc/43/57/02/1270435702.db2.gz UASRHWMIKCVJBT-KGLIPLIRSA-N -1 3 356.382 0.603 10 0 FCAEHM COCC(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)c3c(C)nc[n-]c3=O)[C@@H]2C1 ZINC001573065063 1270587118 /nfs/dbraw/zinc/58/71/18/1270587118.db2.gz TYINONWZQQEMBN-CHWSQXEVSA-N -1 3 362.430 0.836 10 0 FCAEHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1c(C)nc[n-]c1=O ZINC001573073772 1270594616 /nfs/dbraw/zinc/59/46/16/1270594616.db2.gz RIMBKEUZVJUOGU-RAIGVLPGSA-N -1 3 363.418 0.172 10 0 FCAEHM CC(C)[C@@H](O)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2cccc3n[n-]nc32)C1 ZINC001573175871 1270633239 /nfs/dbraw/zinc/63/32/39/1270633239.db2.gz HKLQXUNMYOUSSY-HWWQOWPSSA-N -1 3 359.430 0.990 10 0 FCAEHM COCC(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC001573188023 1270647426 /nfs/dbraw/zinc/64/74/26/1270647426.db2.gz HBQFGTDKMXEYTA-CMPLNLGQSA-N -1 3 359.382 0.231 10 0 FCAEHM CC[C@@H](C)C(=O)NCC(=O)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@H]1CC ZINC001573275941 1270732441 /nfs/dbraw/zinc/73/24/41/1270732441.db2.gz OYOXFIPYRJYQRT-NTZNESFSSA-N -1 3 350.423 0.076 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@H]1CCN(C(=O)[C@H]2CCOC2)[C@@H]1C ZINC001573535057 1270820671 /nfs/dbraw/zinc/82/06/71/1270820671.db2.gz OPWXWIQCSBSOML-IPYPFGDCSA-N -1 3 362.430 0.565 10 0 FCAEHM CCCC(=O)NCC(=O)N1CC[C@H](NC(=O)c2c(C)nc[n-]c2=O)[C@H]1C ZINC001573575128 1270835108 /nfs/dbraw/zinc/83/51/08/1270835108.db2.gz LAPNJTBMPSFMDL-NEPJUHHUSA-N -1 3 363.418 0.126 10 0 FCAEHM CCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)c3c(C)nc[n-]c3=O)C[C@@]2(C)C1 ZINC001573701757 1270852707 /nfs/dbraw/zinc/85/27/07/1270852707.db2.gz IKUBDEUQMGUBIT-ZJNRKIDTSA-N -1 3 362.430 0.836 10 0 FCAEHM COCCCC(=O)NCC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001573944814 1270950693 /nfs/dbraw/zinc/95/06/93/1270950693.db2.gz ACAKYWMDZCWEME-CHWSQXEVSA-N -1 3 350.419 0.823 10 0 FCAEHM CC[C@H](C)[C@H](NC(C)=O)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn[n-]n1)C2 ZINC001574514561 1271298985 /nfs/dbraw/zinc/29/89/85/1271298985.db2.gz KVWWVWKXJXZABY-GHYVICQNSA-N -1 3 362.434 0.217 10 0 FCAEHM COc1nsc(OC)c1C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001603293145 1287348098 /nfs/dbraw/zinc/34/80/98/1287348098.db2.gz VKBKLRODXIAYKQ-QMMMGPOBSA-N -1 3 351.388 0.665 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cccc(N2CCNC2=O)c1 ZINC001603292626 1287348162 /nfs/dbraw/zinc/34/81/62/1287348162.db2.gz RYJJQPBXHWVYGP-CYBMUJFWSA-N -1 3 368.397 0.721 10 0 FCAEHM NC(=O)c1ccccc1NCC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001603293730 1287348298 /nfs/dbraw/zinc/34/82/98/1287348298.db2.gz YKWHWWGBUVIJID-NSHDSACASA-N -1 3 356.386 0.088 10 0 FCAEHM O=C(CNC(=O)N1CCc2ccccc2C1)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001583369327 1282085828 /nfs/dbraw/zinc/08/58/28/1282085828.db2.gz RVQQFBOEVVGFQY-UHFFFAOYSA-N -1 3 373.438 0.855 10 0 FCAEHM CSC[C@H](CCO)NC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001631670939 1282106314 /nfs/dbraw/zinc/10/63/14/1282106314.db2.gz JQFIMDOOVCXYOT-NSHDSACASA-N -1 3 367.402 0.718 10 0 FCAEHM CSC[C@H](CCO)NC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001631670939 1282106328 /nfs/dbraw/zinc/10/63/28/1282106328.db2.gz JQFIMDOOVCXYOT-NSHDSACASA-N -1 3 367.402 0.718 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1c[n-]c2ccccc2c1=O ZINC001718646189 1287549785 /nfs/dbraw/zinc/54/97/85/1287549785.db2.gz BMGNCOSRBFHYGO-MBNYWOFBSA-N -1 3 357.410 0.781 10 0 FCAEHM O=C([C@H](O)[C@@H](O)c1nc2ccccc2[nH]1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001631827132 1282118056 /nfs/dbraw/zinc/11/80/56/1282118056.db2.gz VNBZUPBUIQVATJ-TZTCFGBESA-N -1 3 357.370 0.402 10 0 FCAEHM Nc1ncnc2c1ncn2CCCC(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001631831851 1282118255 /nfs/dbraw/zinc/11/82/55/1282118255.db2.gz IHELFXZNHULDKH-JTQLQIEISA-N -1 3 356.390 0.634 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)c1nc2ncc(Br)cn2n1 ZINC001585937672 1282258238 /nfs/dbraw/zinc/25/82/38/1282258238.db2.gz NZXGLDIXUPQYEP-SSDOTTSWSA-N -1 3 366.179 0.129 10 0 FCAEHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3cn(C)c(=O)[nH]c3=O)nc21 ZINC001586152056 1282278251 /nfs/dbraw/zinc/27/82/51/1282278251.db2.gz HVOAJLGZDILLJI-UHFFFAOYSA-N -1 3 357.326 0.791 10 0 FCAEHM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@@H]1CCn2cncc21 ZINC001634085384 1282295850 /nfs/dbraw/zinc/29/58/50/1282295850.db2.gz XJCHXMCMUFNFEG-CQSZACIVSA-N -1 3 372.429 0.718 10 0 FCAEHM CC(C)(C)OC(=O)N1CC(OCC(=O)NCCCc2c[n-][nH]c2=O)C1 ZINC001634143638 1282303956 /nfs/dbraw/zinc/30/39/56/1282303956.db2.gz MDEVLRIUDNEBFU-NSHDSACASA-N -1 3 354.407 0.251 10 0 FCAEHM CS(=O)(=O)Nc1cc(C(=O)NCCCc2c[n-][nH]c2=O)ccc1F ZINC001634143326 1282304312 /nfs/dbraw/zinc/30/43/12/1282304312.db2.gz JDFNYJRUEBXQJU-JTQLQIEISA-N -1 3 356.379 0.439 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCc1cc(C2CC2)no1 ZINC001634207165 1282310796 /nfs/dbraw/zinc/31/07/96/1282310796.db2.gz XCOKCJWYYQWFDG-UHFFFAOYSA-N -1 3 369.175 0.893 10 0 FCAEHM C[C@]1(C2CCN(C(=O)c3cc(=O)[n-]c(C4CC4)n3)CC2)NC(=O)NC1=O ZINC001634457986 1282331033 /nfs/dbraw/zinc/33/10/33/1282331033.db2.gz UGNUGMGHXPDFAP-QGZVFWFLSA-N -1 3 359.386 0.510 10 0 FCAEHM CN(C[C@@H](O)CNC(=O)c1cnc[n-]c1=O)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001718771155 1287567832 /nfs/dbraw/zinc/56/78/32/1287567832.db2.gz YMJLTTNJYAQUOS-XDQVBPFNSA-N -1 3 362.430 0.558 10 0 FCAEHM COC(=O)[C@H](CCC1OCCO1)NC(=O)c1cc2c(cc1[O-])OCO2 ZINC001587982760 1282391875 /nfs/dbraw/zinc/39/18/75/1282391875.db2.gz YEUVRDYKKFMERV-JTQLQIEISA-N -1 3 353.327 0.545 10 0 FCAEHM CCCOc1ccnc(CC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)n1 ZINC001636855229 1282542745 /nfs/dbraw/zinc/54/27/45/1282542745.db2.gz MIMSAYHYMBOZGY-LBPRGKRZSA-N -1 3 358.402 0.699 10 0 FCAEHM CCOC(=O)c1ccc(NC(=O)C[C@@]2(C)CCS(=O)(=O)N2)c([O-])c1 ZINC001637640485 1282611233 /nfs/dbraw/zinc/61/12/33/1282611233.db2.gz VXUKHWYCMAXNRH-OAHLLOKOSA-N -1 3 356.400 0.979 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)CNC(=O)Nc3ccccc3)CC2)n1 ZINC001638489223 1282700439 /nfs/dbraw/zinc/70/04/39/1282700439.db2.gz WJPIYXKBCBXAIW-UHFFFAOYSA-N -1 3 370.413 0.961 10 0 FCAEHM CC(C)CN1CCN(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)CC1=O ZINC001638865150 1282728229 /nfs/dbraw/zinc/72/82/29/1282728229.db2.gz IJUOAHOGYNMZKI-CYBMUJFWSA-N -1 3 362.434 0.271 10 0 FCAEHM CN1c2ccccc2C[C@H](NC(=O)CNC(=O)c2ccc([O-])cc2)C1=O ZINC001638909667 1282733873 /nfs/dbraw/zinc/73/38/73/1282733873.db2.gz IJKWZLIJKMKISW-HNNXBMFYSA-N -1 3 353.378 0.826 10 0 FCAEHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)c1ccc(C(=O)N2CCOCC2)cc1 ZINC001639649224 1282802355 /nfs/dbraw/zinc/80/23/55/1282802355.db2.gz MNSCOJSJMKRLBP-UHFFFAOYSA-N -1 3 374.422 0.873 10 0 FCAEHM Cc1cc2n[n-]c(NC(=O)c3ccc(C(N)=O)c(Cl)n3)c2c(=O)n1C ZINC001639710639 1282808324 /nfs/dbraw/zinc/80/83/24/1282808324.db2.gz OTMYRETWFNWFRZ-UHFFFAOYSA-N -1 3 360.761 0.970 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)C1CCN(c2cnccn2)CC1 ZINC001640104520 1282837288 /nfs/dbraw/zinc/83/72/88/1282837288.db2.gz GBDKFRKMEZAWEJ-CQSZACIVSA-N -1 3 369.429 0.584 10 0 FCAEHM O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001640104474 1282837659 /nfs/dbraw/zinc/83/76/59/1282837659.db2.gz DHXXTMYPVGNBRS-YNEHKIRRSA-N -1 3 373.413 0.052 10 0 FCAEHM Cn1nc(-c2ccncc2)cc1C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001640110585 1282838877 /nfs/dbraw/zinc/83/88/77/1282838877.db2.gz TVFMWDORIKRRNR-CYBMUJFWSA-N -1 3 365.397 0.986 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cncc(-n2ccnn2)c1 ZINC001640110084 1282839803 /nfs/dbraw/zinc/83/98/03/1282839803.db2.gz MKIAQUPIOZTLEV-LBPRGKRZSA-N -1 3 352.358 0.167 10 0 FCAEHM CCN(C(=O)c1cnc[n-]c1=O)[C@H](C)CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001718960681 1287601652 /nfs/dbraw/zinc/60/16/52/1287601652.db2.gz FVEKVWPHCCNXQG-UTUOFQBUSA-N -1 3 363.418 0.051 10 0 FCAEHM Cc1cc(=O)[n-]c(CNC(=O)[C@@]2(C)C[C@@H](O)CN2C(=O)OC(C)(C)C)n1 ZINC001640617296 1282881630 /nfs/dbraw/zinc/88/16/30/1282881630.db2.gz CCEHSLGORFLRDL-PIGZYNQJSA-N -1 3 366.418 0.867 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)Cc2ccccc2S(C)(=O)=O)[n-]1 ZINC001641468313 1282953967 /nfs/dbraw/zinc/95/39/67/1282953967.db2.gz RWIFQECHABFRJR-UHFFFAOYSA-N -1 3 366.399 0.244 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCO[C@@H](Cn3ccnn3)C2)c1 ZINC001641840520 1282974969 /nfs/dbraw/zinc/97/49/69/1282974969.db2.gz JEAAKHPHKBTRKS-CYBMUJFWSA-N -1 3 357.370 0.649 10 0 FCAEHM CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NCCCc1c[n-][nH]c1=O ZINC001642444987 1283010597 /nfs/dbraw/zinc/01/05/97/1283010597.db2.gz DUWPOBAZKCGYFW-STQMWFEESA-N -1 3 358.464 0.209 10 0 FCAEHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](O)[C@@H](O)C2)ccc1F ZINC001642795367 1283039711 /nfs/dbraw/zinc/03/97/11/1283039711.db2.gz AKSARTRYWFRKDZ-OLZOCXBDSA-N -1 3 374.434 0.470 10 0 FCAEHM CN(C[C@H](O)CNC(=O)c1ccccc1[O-])C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001680823875 1283450554 /nfs/dbraw/zinc/45/05/54/1283450554.db2.gz LQXXSHLFHMJCBN-QDEZUTFSSA-N -1 3 362.426 0.756 10 0 FCAEHM CC(C)(C)c1nnc(CNC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)[nH]1 ZINC001681897728 1283513435 /nfs/dbraw/zinc/51/34/35/1283513435.db2.gz RZNSILCNSDRETN-SNVBAGLBSA-N -1 3 360.422 0.676 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@@H]1CN(C(=O)C2CC=CC2)C[C@@H]1O ZINC001683562550 1284035351 /nfs/dbraw/zinc/03/53/51/1284035351.db2.gz ZBYNKIIBOPRZIS-CABCVRRESA-N -1 3 360.414 0.077 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N1C[C@@H](NC(=O)[C@H](F)C(C)C)[C@@H](O)C1 ZINC001683624126 1284065562 /nfs/dbraw/zinc/06/55/62/1284065562.db2.gz PXPVKKDUDOMMKE-VNHYZAJKSA-N -1 3 368.409 0.105 10 0 FCAEHM Cc1nc(C)c(CC(=O)N2C[C@@H](NC(=O)[C@@H](C)C(C)C)[C@@H](O)C2)c(=O)[n-]1 ZINC001683710056 1284092000 /nfs/dbraw/zinc/09/20/00/1284092000.db2.gz IUNUXQWENNYFHP-VQISRLSMSA-N -1 3 364.446 0.322 10 0 FCAEHM O=C(NCC[C@H]1CCCS1(=O)=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001683742817 1284103119 /nfs/dbraw/zinc/10/31/19/1284103119.db2.gz YZQDNHVGBWSQKD-NWDGAFQWSA-N -1 3 369.447 0.027 10 0 FCAEHM CC(=O)NC1(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3cn[n-]n3)C2)CCCC1 ZINC001684473688 1284183016 /nfs/dbraw/zinc/18/30/16/1284183016.db2.gz ZHGMPSDUEOBFPB-QWHCGFSZSA-N -1 3 362.434 0.268 10 0 FCAEHM CS[C@@H](C)CC(=O)N1C[C@H]2CCN(C(=O)c3cnc[n-]c3=O)C[C@H]21 ZINC001702404854 1285643493 /nfs/dbraw/zinc/64/34/93/1285643493.db2.gz FBKDGFWITFGTIQ-DMDPSCGWSA-N -1 3 350.444 0.997 10 0 FCAEHM C/C=C(\C)C(=O)N[C@@H]1CN(C(=O)c2nnc3ccccc3c2[O-])C[C@@H]1O ZINC001735916234 1289023514 /nfs/dbraw/zinc/02/35/14/1289023514.db2.gz FLKXZBPFQYTKHM-NHMTZTLUSA-N -1 3 356.382 0.603 10 0 FCAEHM CO[C@@H](CC(=O)NC[C@H]1CC[C@@H](NC(=O)c2cn[n-]n2)C1)C(F)(F)F ZINC001702556379 1285723763 /nfs/dbraw/zinc/72/37/63/1285723763.db2.gz CAXVQTHHEFXKMR-NGZCFLSTSA-N -1 3 363.340 0.787 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)[C@@H](C)NC(=O)C1CCC1 ZINC001702633687 1285763449 /nfs/dbraw/zinc/76/34/49/1285763449.db2.gz JYRHPKIRTRXXCK-SCDSUCTJSA-N -1 3 362.434 0.219 10 0 FCAEHM C[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1CNC(=O)c1ccccc1[O-] ZINC001702783892 1285860801 /nfs/dbraw/zinc/86/08/01/1285860801.db2.gz ZLZSTSDXNLXWCS-TZMCWYRMSA-N -1 3 359.426 0.743 10 0 FCAEHM Cc1nc(C)n(CCCC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cn[n-]n2)C3)n1 ZINC001702997937 1286045190 /nfs/dbraw/zinc/04/51/90/1286045190.db2.gz ZUSOFDVKJAPTLT-NFAWXSAZSA-N -1 3 372.433 0.355 10 0 FCAEHM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(N(C)C)cc1)NC(=O)c1cn[n-]n1 ZINC001704047695 1286177158 /nfs/dbraw/zinc/17/71/58/1286177158.db2.gz UXXNLUKAWVDISO-BYCMXARLSA-N -1 3 356.430 0.909 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)N1CC(NC(=O)CCc2c(C)nc[n-]c2=O)C1 ZINC001704533709 1286261034 /nfs/dbraw/zinc/26/10/34/1286261034.db2.gz OYRBGYKULMQCKD-WBMJQRKESA-N -1 3 362.430 0.565 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@H](O)CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001704947733 1286334086 /nfs/dbraw/zinc/33/40/86/1286334086.db2.gz AIYNQSQOJUQQOZ-JHJVBQTASA-N -1 3 350.419 0.380 10 0 FCAEHM CC[C@H](F)C(=O)N[C@@H]1CN(C(=O)c2cc(=O)c3ccccc3[n-]2)C[C@@H]1O ZINC001735948493 1289071549 /nfs/dbraw/zinc/07/15/49/1289071549.db2.gz IALGQYPHBOSSKS-PEYYIBSZSA-N -1 3 361.373 0.578 10 0 FCAEHM CCO[C@@H]1CN(C(=O)CSC(C)C)C[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001707136252 1286467473 /nfs/dbraw/zinc/46/74/73/1286467473.db2.gz FQJJNWXDQHJGCA-VXGBXAGGSA-N -1 3 357.480 0.605 10 0 FCAEHM CN(C)C(=O)CNCc1cc(=O)[n-]c(CNC(=O)C[C@@H]2C[C@H]2C2CC2)n1 ZINC001707177844 1286491275 /nfs/dbraw/zinc/49/12/75/1286491275.db2.gz HITLEHDCNULFIV-JSGCOSHPSA-N -1 3 361.446 0.412 10 0 FCAEHM C[C@@H](C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccccc2[O-])C1)S(C)(=O)=O ZINC001736088187 1289136226 /nfs/dbraw/zinc/13/62/26/1289136226.db2.gz XTKUMWQMQGYADW-RWMBFGLXSA-N -1 3 368.455 0.840 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1NC(=O)COc1ccccc1 ZINC001719203266 1287864819 /nfs/dbraw/zinc/86/48/19/1287864819.db2.gz AZTRROYMRLGFKF-IUODEOHRSA-N -1 3 356.382 0.838 10 0 FCAEHM CO[C@@H]1CN(C(=O)CCCC(C)=O)C[C@H]1NC(=O)c1c(C)nc[n-]c1=O ZINC001719242213 1287933265 /nfs/dbraw/zinc/93/32/65/1287933265.db2.gz OTYSBMNGQLIIOJ-CHWSQXEVSA-N -1 3 364.402 0.206 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CN(C(=O)C[C@H](C)CC(C)C)C[C@@H]1O ZINC001719301675 1288067693 /nfs/dbraw/zinc/06/76/93/1288067693.db2.gz YQMGDKFSHOVIMS-BNOWGMLFSA-N -1 3 364.446 0.864 10 0 FCAEHM CC[C@H](OC)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001719467048 1288131803 /nfs/dbraw/zinc/13/18/03/1288131803.db2.gz BMXZBZDVFYLRIC-XQQFMLRXSA-N -1 3 350.419 0.930 10 0 FCAEHM CC[C@@H](OC)C(=O)NCc1nc(CNC(=O)[C@@H]2C[C@H]2CC)cc(=O)[n-]1 ZINC001719522612 1288166710 /nfs/dbraw/zinc/16/67/10/1288166710.db2.gz RJWOGZJIZNWEIY-RAIGVLPGSA-N -1 3 350.419 0.886 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)CC(N)=O)CCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC001719538319 1288170025 /nfs/dbraw/zinc/17/00/25/1288170025.db2.gz OUUDQFXGFGVQHK-DZGCQCFKSA-N -1 3 370.409 0.513 10 0 FCAEHM CCN(CCNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)C(=O)[C@]12C[C@H]1COC2 ZINC001721159769 1288303848 /nfs/dbraw/zinc/30/38/48/1288303848.db2.gz GPLQJVKWVPMVHE-BUXKBTBVSA-N -1 3 371.393 0.185 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)NCCN(CC)C(=O)c1c(C)nc[n-]c1=O ZINC001721163447 1288305012 /nfs/dbraw/zinc/30/50/12/1288305012.db2.gz VHZOWDQRAZSZST-OLZOCXBDSA-N -1 3 350.419 0.884 10 0 FCAEHM C[C@@H]1OCCO[C@@H]1C(=O)NC[C@](C)(NC(=O)c1cnc[n-]c1=O)C1CC1 ZINC001721540014 1288348117 /nfs/dbraw/zinc/34/81/17/1288348117.db2.gz XVOVSIWENXHXGF-SVKFGRERSA-N -1 3 364.402 0.001 10 0 FCAEHM CN(C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1CN(CCC[N-]C(=O)C(F)(F)F)C1 ZINC001723796434 1288430240 /nfs/dbraw/zinc/43/02/40/1288430240.db2.gz ZWYWBCJCAPKSOB-UPJWGTAASA-N -1 3 363.380 0.765 10 0 FCAEHM CCC1(NCc2n[nH]c(=O)[n-]2)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001733803983 1288630366 /nfs/dbraw/zinc/63/03/66/1288630366.db2.gz STSYEJFZGHFSOT-VXGBXAGGSA-N -1 3 359.434 0.898 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@@H](O)CN(C)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001735408361 1288729284 /nfs/dbraw/zinc/72/92/84/1288729284.db2.gz OHMOOHAGZZVRHO-LXTVHRRPSA-N -1 3 374.441 0.642 10 0 FCAEHM C[C@H](CC(=O)N1C[C@@H]2CCN(C(=O)c3ccccc3[O-])[C@@H]2C1)NC(N)=O ZINC001735686840 1288767124 /nfs/dbraw/zinc/76/71/24/1288767124.db2.gz BOWSNGNNPOMOJJ-MBNYWOFBSA-N -1 3 360.414 0.512 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)C[C@@H]2C(=O)Nc3c2cccc3F)[n-]1 ZINC001611155362 1289633299 /nfs/dbraw/zinc/63/32/99/1289633299.db2.gz ZKMXVZVQXVENDR-VIFPVBQESA-N -1 3 361.333 0.863 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)NC[C@@H](C)N(C)C(=O)c1c(C)nc[n-]c1=O ZINC001701204942 1289636464 /nfs/dbraw/zinc/63/64/64/1289636464.db2.gz DFSIIWRJGTYDJV-QKCSRTOESA-N -1 3 350.419 0.882 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N[C@@H]1C[C@H]1C1CCOCC1 ZINC001611628547 1289663419 /nfs/dbraw/zinc/66/34/19/1289663419.db2.gz ABCINSJVDYDRJH-QWHCGFSZSA-N -1 3 357.432 0.501 10 0 FCAEHM O=C(Nc1ccn(CCN2CC[NH+]=C2[O-])n1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001611669017 1289665132 /nfs/dbraw/zinc/66/51/32/1289665132.db2.gz HIHWKQRFZOMNEE-UHFFFAOYSA-N -1 3 368.353 0.044 10 0 FCAEHM O=C(N[C@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)c1cn[n-]n1 ZINC001701715462 1289696408 /nfs/dbraw/zinc/69/64/08/1289696408.db2.gz PDQAKXDVZIXDMP-IVZWLZJFSA-N -1 3 365.340 0.094 10 0 FCAEHM CC(C)(C)OC(=O)CN1CCCC[C@H](N=c2ncnc3[nH][n-]cc2-3)C1=O ZINC001612799531 1289700975 /nfs/dbraw/zinc/70/09/75/1289700975.db2.gz NBRZIZXJUIPGPX-LBPRGKRZSA-N -1 3 360.418 0.861 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC001615925188 1289764971 /nfs/dbraw/zinc/76/49/71/1289764971.db2.gz FWIVOPZKTASARZ-MNXVOIDGSA-N -1 3 367.475 0.340 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@@H](NC(=O)[C@]12C[C@H]1COC2)C(C)(C)C ZINC001739103534 1289802963 /nfs/dbraw/zinc/80/29/63/1289802963.db2.gz RKHGFNKOAVGOLZ-IUUKEHGRSA-N -1 3 362.430 0.788 10 0 FCAEHM CNC(=O)CCCCC(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1O ZINC001702185604 1289807372 /nfs/dbraw/zinc/80/73/72/1289807372.db2.gz KVCPRCYIUNJQIZ-UKRRQHHQSA-N -1 3 363.414 0.000 10 0 FCAEHM CCOC(=O)c1cccc2[n-]c(NC(=O)CCn3ncn(C)c3=O)nc21 ZINC001616996419 1289810204 /nfs/dbraw/zinc/81/02/04/1289810204.db2.gz YCAIJASXSTWYLX-UHFFFAOYSA-N -1 3 358.358 0.664 10 0 FCAEHM NC(=O)CCC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC001617356622 1289834392 /nfs/dbraw/zinc/83/43/92/1289834392.db2.gz GXQKUPSYASTQNO-UHFFFAOYSA-N -1 3 351.787 0.139 10 0 FCAEHM C[C@@H](C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1cnccn1 ZINC001617356043 1289835017 /nfs/dbraw/zinc/83/50/17/1289835017.db2.gz AMHUENHTHPTKJK-SNVBAGLBSA-N -1 3 370.381 0.953 10 0 FCAEHM C[C@H](CC(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C)n1cccn1 ZINC001702285222 1289962660 /nfs/dbraw/zinc/96/26/60/1289962660.db2.gz OFKSSZZTTOTGOW-YRGRVCCFSA-N -1 3 358.402 0.607 10 0 FCAEHM COC[C@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001702290140 1289970019 /nfs/dbraw/zinc/97/00/19/1289970019.db2.gz HUSXKWHJVYHFRY-DUVNUKRYSA-N -1 3 357.414 0.812 10 0 FCAEHM CC(=O)N[C@@H]1CCCN(C(=O)CN2Cc3nc(C4CC4)[n-]c(=O)c3C2)C1 ZINC001620551097 1289999903 /nfs/dbraw/zinc/99/99/03/1289999903.db2.gz HYRWNKWJPVMCKF-CYBMUJFWSA-N -1 3 359.430 0.502 10 0 FCAEHM CO[C@H](C)CCC(=O)N1C[C@@H](NC(=O)c2c(C)nc[n-]c2=O)[C@H](OC)C1 ZINC001702331618 1290063953 /nfs/dbraw/zinc/06/39/53/1290063953.db2.gz APHMQGGJAGOXBM-RAIGVLPGSA-N -1 3 366.418 0.261 10 0 FCAEHM CC(C)(C)CCCC(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1 ZINC001702366170 1290140509 /nfs/dbraw/zinc/14/05/09/1290140509.db2.gz SVLFMCOUXYHJEZ-OLZOCXBDSA-N -1 3 350.419 0.700 10 0 FCAEHM CCO[C@H](CC(=O)N1C[C@@H](NC(=O)c2cn[n-]n2)[C@@H](O)C1)C1=CCCC1 ZINC001702369004 1290148131 /nfs/dbraw/zinc/14/81/31/1290148131.db2.gz NWMDLBDIPHXSAF-QLFBSQMISA-N -1 3 363.418 0.012 10 0 FCAEHM O=C(NCCNC(=O)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F)c1ccc([O-])cc1 ZINC001622744067 1290182639 /nfs/dbraw/zinc/18/26/39/1290182639.db2.gz VMXVBTVHRGJCNF-NEPJUHHUSA-N -1 3 373.331 0.553 10 0 FCAEHM CC(C)(C)OC(=O)NC[C@H](O)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC001622743951 1290182691 /nfs/dbraw/zinc/18/26/91/1290182691.db2.gz QHWSBBCSJCJRAN-ZDUSSCGKSA-N -1 3 367.402 0.124 10 0 FCAEHM O=C(CN1CCOC1=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001623572299 1290225578 /nfs/dbraw/zinc/22/55/78/1290225578.db2.gz VBQBFTQBFCVEED-UHFFFAOYSA-N -1 3 367.836 0.248 10 0 FCAEHM C[C@H](NC(=O)CC1CS(=O)(=O)C1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001623645314 1290228346 /nfs/dbraw/zinc/22/83/46/1290228346.db2.gz YQESFXNIWMTITM-UWVGGRQHSA-N -1 3 355.416 0.301 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@]2(C)C[C@@H](O)CN2C)cc1OC ZINC001625195748 1290325808 /nfs/dbraw/zinc/32/58/08/1290325808.db2.gz IFIOLXQTWAGZEI-WBMJQRKESA-N -1 3 371.459 0.850 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C[C@@H]2CCNC2=O)cc1OC ZINC001625195296 1290325859 /nfs/dbraw/zinc/32/58/59/1290325859.db2.gz BCXZRLNXQSVJIE-JTQLQIEISA-N -1 3 355.416 0.922 10 0 FCAEHM O=C(CO[C@H]1CCOC1)NC[C@H]1CC[C@@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001739877400 1290417794 /nfs/dbraw/zinc/41/77/94/1290417794.db2.gz MJWHTUPLKKGINF-XQQFMLRXSA-N -1 3 364.402 0.002 10 0 FCAEHM Cc1cc2n[n-]c(NC(=O)c3coc(CS(C)(=O)=O)n3)c2c(=O)n1C ZINC001627187961 1290445343 /nfs/dbraw/zinc/44/53/43/1290445343.db2.gz SASIFDAOMLFRIJ-UHFFFAOYSA-N -1 3 365.371 0.355 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1CCC[C@@H](C)[C@H]1CCCNC(=O)C(N)=O ZINC001739980587 1290457405 /nfs/dbraw/zinc/45/74/05/1290457405.db2.gz DNXWKRFRFLYCIZ-ZYHUDNBSSA-N -1 3 363.418 0.113 10 0 FCAEHM Cn1cc(C(=O)NC[C@H]2CCCN2C(=O)c2cc(=O)[n-]c(C3CC3)n2)cn1 ZINC001627518478 1290468037 /nfs/dbraw/zinc/46/80/37/1290468037.db2.gz YGWVYPBESFYEDS-CYBMUJFWSA-N -1 3 370.413 0.828 10 0 FCAEHM CN(C(=O)c1ccc(NC(=O)CCc2nnn[n-]2)cc1)[C@H]1CCCN(C)C1 ZINC001628166839 1290513337 /nfs/dbraw/zinc/51/33/37/1290513337.db2.gz CCCPCEIWYHYTMF-HNNXBMFYSA-N -1 3 371.445 0.937 10 0 FCAEHM O=C([C@H]1Nc2ccccc2S(=O)(=O)N1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001628247590 1290519613 /nfs/dbraw/zinc/51/96/13/1290519613.db2.gz ZMDGIJMHISAXJZ-OTYXRUKQSA-N -1 3 363.399 0.161 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C(=Cc1ccccc1)n1nnnc1C ZINC001628270163 1290521637 /nfs/dbraw/zinc/52/16/37/1290521637.db2.gz OBIXLMVZNALWKJ-QTNMRXCUSA-N -1 3 353.386 0.608 10 0 FCAEHM CCNS(=O)(=O)c1cccc(C(=O)NCCc2c(C)[n-][nH]c2=O)c1 ZINC001628269936 1290521907 /nfs/dbraw/zinc/52/19/07/1290521907.db2.gz KDJSCYUAYIYAAG-CYBMUJFWSA-N -1 3 352.416 0.227 10 0 FCAEHM Cc1nc(CS(C)(=O)=O)sc1CC(=O)NCCc1c(C)[n-][nH]c1=O ZINC001628274626 1290523572 /nfs/dbraw/zinc/52/35/72/1290523572.db2.gz NWWGOPUSZIWSBW-JTQLQIEISA-N -1 3 372.472 0.167 10 0 FCAEHM O=C(CCOC[C@H]1CCCO1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn[n-]n1)C2 ZINC001740317984 1290531839 /nfs/dbraw/zinc/53/18/39/1290531839.db2.gz LRGLSHCNKFXJQS-CXTNEJHOSA-N -1 3 363.418 0.252 10 0 FCAEHM COC(=O)Cc1n[n-]c(NC(=O)c2[nH]c3ccccc3c2CC(=O)OC)n1 ZINC001628595581 1290542695 /nfs/dbraw/zinc/54/26/95/1290542695.db2.gz BTGZPCYLNYVWKD-UHFFFAOYSA-N -1 3 371.353 0.969 10 0 FCAEHM COC(=O)Cc1nnc(NC(=O)c2[nH]c3ccccc3c2CC(=O)OC)[n-]1 ZINC001628595581 1290542704 /nfs/dbraw/zinc/54/27/04/1290542704.db2.gz BTGZPCYLNYVWKD-UHFFFAOYSA-N -1 3 371.353 0.969 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)c2[nH]c3ccccc3c2CC(=O)OC)n[n-]1 ZINC001628595581 1290542712 /nfs/dbraw/zinc/54/27/12/1290542712.db2.gz BTGZPCYLNYVWKD-UHFFFAOYSA-N -1 3 371.353 0.969 10 0 FCAEHM CC(C)COC1CN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC001628958845 1290564964 /nfs/dbraw/zinc/56/49/64/1290564964.db2.gz FSKYVOAXSZDWPZ-UHFFFAOYSA-N -1 3 360.208 0.595 10 0 FCAEHM Cn1cncc1[C@@H](CO)NC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001630600884 1290680451 /nfs/dbraw/zinc/68/04/51/1290680451.db2.gz ZVIMHRVUHIDZDQ-GFCCVEGCSA-N -1 3 373.344 0.071 10 0 FCAEHM Cn1cncc1[C@@H](CO)NC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001630600884 1290680456 /nfs/dbraw/zinc/68/04/56/1290680456.db2.gz ZVIMHRVUHIDZDQ-GFCCVEGCSA-N -1 3 373.344 0.071 10 0 FCAEHM C[C@H](CNC(=O)c1cnc[n-]c1=O)CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001759447279 1290859489 /nfs/dbraw/zinc/85/94/89/1290859489.db2.gz OENSFLHMDUOHSC-WCFLWFBJSA-N -1 3 358.402 0.202 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001643244058 1290867675 /nfs/dbraw/zinc/86/76/75/1290867675.db2.gz DSQAMHRLKSLCEQ-UHFFFAOYSA-N -1 3 357.292 0.937 10 0 FCAEHM O=S1(=O)CCN(Cc2nnc(-c3ccccc3[O-])o2)[C@@H]2CCOC[C@H]21 ZINC001643365091 1290878772 /nfs/dbraw/zinc/87/87/72/1290878772.db2.gz VATWGEAZZLWYQN-TZMCWYRMSA-N -1 3 365.411 0.830 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCCCOc2ncccn2)ccc1F ZINC001643965819 1290932510 /nfs/dbraw/zinc/93/25/10/1290932510.db2.gz OGHIUVLKFSKGNC-UHFFFAOYSA-N -1 3 368.390 0.723 10 0 FCAEHM O=C(CNC(=O)c1ccc2c(c1)OCO2)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001644261622 1290950385 /nfs/dbraw/zinc/95/03/85/1290950385.db2.gz YRAOLFHNWGQQIR-LLVKDONJSA-N -1 3 358.354 0.590 10 0 FCAEHM CN1C(=O)CO[C@H](C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)[C@H]1c1cccnc1 ZINC001644260711 1290950454 /nfs/dbraw/zinc/95/04/54/1290950454.db2.gz DQDNLRWNVVLBLG-VUCTXSBTSA-N -1 3 371.397 0.425 10 0 FCAEHM CS(=O)(=O)Nc1ccccc1CC(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001644268967 1290951912 /nfs/dbraw/zinc/95/19/12/1290951912.db2.gz SHNQRAGLDJXFTA-UHFFFAOYSA-N -1 3 368.440 0.701 10 0 FCAEHM CC(C)(C)OC(=O)N1CC(O)(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)C1 ZINC001644272470 1290951924 /nfs/dbraw/zinc/95/19/24/1290951924.db2.gz AKTTUINRULRBTC-UHFFFAOYSA-N -1 3 356.404 0.069 10 0 FCAEHM O=C([C@H]1CNC(=O)C[C@@H]1C(F)(F)F)N1CCC(Cc2nnn[n-]2)CC1 ZINC001644765374 1290982333 /nfs/dbraw/zinc/98/23/33/1290982333.db2.gz KXBREOPBNSPFQO-UWVGGRQHSA-N -1 3 360.340 0.295 10 0 FCAEHM O=C([C@H]1CNC(=O)C[C@@H]1C(F)(F)F)N1CCC(Cc2nn[n-]n2)CC1 ZINC001644765374 1290982341 /nfs/dbraw/zinc/98/23/41/1290982341.db2.gz KXBREOPBNSPFQO-UWVGGRQHSA-N -1 3 360.340 0.295 10 0 FCAEHM COC(=O)[C@H](Cc1cncs1)NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC001644894417 1290993949 /nfs/dbraw/zinc/99/39/49/1290993949.db2.gz QLKQJGLAPSBDCA-LBPRGKRZSA-N -1 3 350.400 0.699 10 0 FCAEHM C[C@@H]1OC[C@]2(CC[C@@H](CNC(=O)c3ccc(-c4nnn[n-]4)cn3)O2)[C@H]1C ZINC001644921498 1290994737 /nfs/dbraw/zinc/99/47/37/1290994737.db2.gz URTNVDQIUSNXDX-NDBFUVGKSA-N -1 3 358.402 0.964 10 0 FCAEHM C[C@@H]1OC[C@]2(CC[C@@H](CNC(=O)c3ccc(-c4nn[n-]n4)cn3)O2)[C@H]1C ZINC001644921498 1290994744 /nfs/dbraw/zinc/99/47/44/1290994744.db2.gz URTNVDQIUSNXDX-NDBFUVGKSA-N -1 3 358.402 0.964 10 0 FCAEHM C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)c3ccc(-c4nnn[n-]4)cn3)O2)[C@H]1C ZINC001644921485 1290994951 /nfs/dbraw/zinc/99/49/51/1290994951.db2.gz URTNVDQIUSNXDX-BWCYYRKRSA-N -1 3 358.402 0.964 10 0 FCAEHM C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)c3ccc(-c4nn[n-]n4)cn3)O2)[C@H]1C ZINC001644921485 1290994958 /nfs/dbraw/zinc/99/49/58/1290994958.db2.gz URTNVDQIUSNXDX-BWCYYRKRSA-N -1 3 358.402 0.964 10 0 FCAEHM CC(C)(C)OC(=O)N1CC(O)(C(=O)NCc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001645198808 1291008155 /nfs/dbraw/zinc/00/81/55/1291008155.db2.gz DBIZDMZUTOUQEN-UHFFFAOYSA-N -1 3 364.402 0.658 10 0 FCAEHM O=C(NCCn1ccc(=O)[nH]c1=O)c1cc([O-])cc(Br)c1 ZINC001645310553 1291017628 /nfs/dbraw/zinc/01/76/28/1291017628.db2.gz CNRZBSVDHUXBLF-UHFFFAOYSA-N -1 3 354.160 0.847 10 0 FCAEHM O=C(C=CC(=O)Nc1ccc2n[nH]cc2c1)NCCCc1c[n-][nH]c1=O ZINC001647858814 1291079768 /nfs/dbraw/zinc/07/97/68/1291079768.db2.gz KVXHULVZRLWXRX-ISALQUGTSA-N -1 3 354.370 0.686 10 0 FCAEHM CN1CCN(CCCNC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H](c2ccccc2)C1 ZINC001649368693 1291145900 /nfs/dbraw/zinc/14/59/00/1291145900.db2.gz UZXVAEIEUMTMCA-AWEZNQCLSA-N -1 3 372.429 0.391 10 0 FCAEHM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1[nH]ncc1Br ZINC001650748190 1291178088 /nfs/dbraw/zinc/17/80/88/1291178088.db2.gz FRQSTVFAWGEDTL-UHFFFAOYSA-N -1 3 354.164 0.671 10 0 FCAEHM O=C(c1ccc(Cn2ccnn2)cc1)N1CCC(Cc2nnn[n-]2)CC1 ZINC001651238471 1291209739 /nfs/dbraw/zinc/20/97/39/1291209739.db2.gz DSCUMHPDPVAHOY-UHFFFAOYSA-N -1 3 352.402 0.934 10 0 FCAEHM O=C(c1ccc(Cn2ccnn2)cc1)N1CCC(Cc2nn[n-]n2)CC1 ZINC001651238471 1291209746 /nfs/dbraw/zinc/20/97/46/1291209746.db2.gz DSCUMHPDPVAHOY-UHFFFAOYSA-N -1 3 352.402 0.934 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cc2c([nH]c1=O)CCCC2=O ZINC001653310315 1291334419 /nfs/dbraw/zinc/33/44/19/1291334419.db2.gz POHMKHKNCSFCKN-JTQLQIEISA-N -1 3 369.381 0.811 10 0 FCAEHM O=C(Cn1ccc2ccccc2c1=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001653312225 1291334970 /nfs/dbraw/zinc/33/49/70/1291334970.db2.gz FOVPGNZGMNAJLB-AWEZNQCLSA-N -1 3 365.393 0.892 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cnc(OCC2CC2)cn1 ZINC001653313484 1291337356 /nfs/dbraw/zinc/33/73/56/1291337356.db2.gz UNNBPTVVUFXXOK-LBPRGKRZSA-N -1 3 356.386 0.770 10 0 FCAEHM Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NCCc3c(C)[n-][nH]c3=O)c(C)c12 ZINC001654306571 1291405779 /nfs/dbraw/zinc/40/57/79/1291405779.db2.gz CBUHCQMPGFGMLF-ZDUSSCGKSA-N -1 3 372.429 0.439 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)Cc2ccc(OCCOC)cc2)[n-]1 ZINC001654490350 1291413814 /nfs/dbraw/zinc/41/38/14/1291413814.db2.gz OYDVRRHRXSDXCG-UHFFFAOYSA-N -1 3 362.386 0.866 10 0 FCAEHM Cc1nc(C)c(CCC(=O)NC2CCC3(CC2)NC(=O)NC3=O)c(=O)[n-]1 ZINC001654558038 1291418332 /nfs/dbraw/zinc/41/83/32/1291418332.db2.gz BVKJKJKRNFRLRZ-UHFFFAOYSA-N -1 3 361.402 0.369 10 0 FCAEHM CC(C)(C)n1cc(CNC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c(=O)[nH]c1=O ZINC001654806641 1291437714 /nfs/dbraw/zinc/43/77/14/1291437714.db2.gz OINBUMRKIUNSJM-UHFFFAOYSA-N -1 3 370.365 0.518 10 0 FCAEHM O=C([N-]CC1CCN(C(=O)NCCCc2nnc[nH]2)CC1)C(F)(F)F ZINC001674223552 1292134898 /nfs/dbraw/zinc/13/48/98/1292134898.db2.gz JOVKTQPEWPTURB-UHFFFAOYSA-N -1 3 362.356 0.837 10 0 FCAEHM CCCS(=O)(=O)CC(=O)N1CC[C@H](NC(=O)c2ccccc2[O-])[C@H]1C ZINC001685166866 1292439503 /nfs/dbraw/zinc/43/95/03/1292439503.db2.gz GRPDNIDGUUAGMA-OCCSQVGLSA-N -1 3 368.455 0.936 10 0 FCAEHM C[C@H](CC(=O)N[C@H]1CCN(C(=O)c2cnc[n-]c2=O)[C@@H]1C)n1cccn1 ZINC001685389477 1292523537 /nfs/dbraw/zinc/52/35/37/1292523537.db2.gz CNYPDIMUMXPGFO-BZPMIXESSA-N -1 3 358.402 0.749 10 0 FCAEHM COC[C@H](C)C(=O)NC[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1C ZINC001685621765 1292575255 /nfs/dbraw/zinc/57/52/55/1292575255.db2.gz AIAYZVPNPSPXJJ-NTZNESFSSA-N -1 3 350.419 0.597 10 0 FCAEHM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001685645077 1292580613 /nfs/dbraw/zinc/58/06/13/1292580613.db2.gz MAQYRJABWZWRIP-WOPDTQHZSA-N -1 3 371.463 0.224 10 0 FCAEHM COc1ccccc1[C@@H](CO)NC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001685645687 1292582478 /nfs/dbraw/zinc/58/24/78/1292582478.db2.gz WKBZDAWBMAEDJA-TZMCWYRMSA-N -1 3 373.413 0.802 10 0 FCAEHM CCS(=O)(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccccc1[O-] ZINC001686183722 1292806059 /nfs/dbraw/zinc/80/60/59/1292806059.db2.gz MIKYZSALYUHTSZ-BNOWGMLFSA-N -1 3 366.439 0.689 10 0 FCAEHM O=C(CCOCC(F)F)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc[n-]c1=O)C2 ZINC001686192729 1292814719 /nfs/dbraw/zinc/81/47/19/1292814719.db2.gz KUFDOYXGMCHAOL-JLLWLGSASA-N -1 3 370.356 0.716 10 0 FCAEHM Cc1nc(CN2CCN(C(=O)CSc3n[n-]c(=S)s3)CC2)n[nH]1 ZINC000747392809 836240023 /nfs/dbraw/zinc/24/00/23/836240023.db2.gz LCUWOYGIPHKSTM-UHFFFAOYSA-N -1 3 371.517 0.690 10 0 FCAEHM Cc1nc(CS(=O)(=O)[N-]Cc2ncccc2S(C)(=O)=O)cs1 ZINC001116864472 846789308 /nfs/dbraw/zinc/78/93/08/846789308.db2.gz LMYJJPFZFHIBKI-UHFFFAOYSA-N -1 3 361.470 0.870 10 0 FCAEHM COC(=O)c1cccc2[n-]c(NC(=O)C3(OC)CS(=O)(=O)C3)nc21 ZINC001127417535 848720381 /nfs/dbraw/zinc/72/03/81/848720381.db2.gz WZAMBWYPHUUPMJ-UHFFFAOYSA-N -1 3 353.356 0.102 10 0 FCAEHM O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1nc[n-]c(=O)c1Br ZINC001136492914 849224120 /nfs/dbraw/zinc/22/41/20/849224120.db2.gz NMLQBEWVMRQCJP-BDAKNGLRSA-N -1 3 357.208 0.538 10 0 FCAEHM CC(C)[C@H](C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1)N1CCCS1(=O)=O ZINC001164320393 850406171 /nfs/dbraw/zinc/40/61/71/850406171.db2.gz BHYZSNKPVPNUPB-BXUZGUMPSA-N -1 3 356.448 0.491 10 0 FCAEHM O=C([N-]n1ccc(=O)[nH]c1=O)c1cncc(I)c1 ZINC001168868988 850596771 /nfs/dbraw/zinc/59/67/71/850596771.db2.gz LZRVUXXKYFNONL-UHFFFAOYSA-N -1 3 358.095 0.332 10 0 FCAEHM C[C@H](NC(=O)C[C@]1(C)CCS(=O)(=O)N1)c1nc(C(F)(F)F)n[n-]1 ZINC001179183912 850960092 /nfs/dbraw/zinc/96/00/92/850960092.db2.gz YOKOOKGMPAXILB-WKEGUHRASA-N -1 3 355.342 0.473 10 0 FCAEHM COC(=O)[C@@H](NCCCNC(=O)c1cc(=O)[n-]c(C2CC2)n1)C(C)C ZINC001183495201 851249357 /nfs/dbraw/zinc/24/93/57/851249357.db2.gz LNJITKCHUQSLAA-AWEZNQCLSA-N -1 3 350.419 0.967 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(c3nc(Cl)nc4[nH]c(=O)[nH]c43)CC2)n1 ZINC001187639435 851588689 /nfs/dbraw/zinc/58/86/89/851588689.db2.gz CREGZLWAMOEPLA-UHFFFAOYSA-N -1 3 362.781 0.843 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)NC2CCN(CC(=O)[O-])CC2)cc1 ZINC001255243004 858003187 /nfs/dbraw/zinc/00/31/87/858003187.db2.gz LGBSYIJBLSOEPN-UHFFFAOYSA-N -1 3 356.400 0.301 10 0 FCAEHM CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC001256638754 858093564 /nfs/dbraw/zinc/09/35/64/858093564.db2.gz JQZUUIDQGYESKE-PHIMTYICSA-N -1 3 373.406 0.506 10 0 FCAEHM COC(=O)[C@H](C[C@@H]1CCCOC1)NC(=O)CCc1c(C)nc[n-]c1=O ZINC001261842818 858683701 /nfs/dbraw/zinc/68/37/01/858683701.db2.gz LOOVHGIYRNFCHO-JSGCOSHPSA-N -1 3 351.403 0.898 10 0 FCAEHM COC(=O)[C@@H]([N-]S(=O)(=O)c1cn(C)nc1Br)C1CC1 ZINC001261853769 858686272 /nfs/dbraw/zinc/68/62/72/858686272.db2.gz REXJQKJPAYMQPN-QMMMGPOBSA-N -1 3 352.210 0.413 10 0 FCAEHM Cn1c(-c2cc(=O)[n-]c(N)n2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001263569257 859178652 /nfs/dbraw/zinc/17/86/52/859178652.db2.gz HSZSPZVQQPKQES-UHFFFAOYSA-N -1 3 359.312 0.454 10 0 FCAEHM CN1CCN(c2nnc(-c3nnc(Cl)[n-]3)n2CC2CC2)CCC1=O ZINC001263742285 859199513 /nfs/dbraw/zinc/19/95/13/859199513.db2.gz NUBHDQPOQCDLAM-UHFFFAOYSA-N -1 3 350.814 0.795 10 0 FCAEHM CN1CCN(c2nnc(-c3n[n-]c(Cl)n3)n2CC2CC2)CCC1=O ZINC001263742285 859199520 /nfs/dbraw/zinc/19/95/20/859199520.db2.gz NUBHDQPOQCDLAM-UHFFFAOYSA-N -1 3 350.814 0.795 10 0 FCAEHM CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)N1CCC(Cc2nnn[n-]2)CC1 ZINC001263899527 859230038 /nfs/dbraw/zinc/23/00/38/859230038.db2.gz FNGXAWCPYAEXAI-GFCCVEGCSA-N -1 3 366.491 0.928 10 0 FCAEHM CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)N1CCC(Cc2nn[n-]n2)CC1 ZINC001263899527 859230047 /nfs/dbraw/zinc/23/00/47/859230047.db2.gz FNGXAWCPYAEXAI-GFCCVEGCSA-N -1 3 366.491 0.928 10 0 FCAEHM CO[C@H](C(=O)N[C@@H]1CCCN(c2nc(C)cc(=O)[n-]2)C1)[C@@H]1CCOC1 ZINC001263911692 859237160 /nfs/dbraw/zinc/23/71/60/859237160.db2.gz PZQDFOULDDAIPB-NFAWXSAZSA-N -1 3 350.419 0.627 10 0 FCAEHM CCCSCC(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]2C1 ZINC001264084624 859303602 /nfs/dbraw/zinc/30/36/02/859303602.db2.gz QYRTYNGNLNOORV-OLZOCXBDSA-N -1 3 353.492 0.532 10 0 FCAEHM C[C@H](CN1CC[C@H](NC(=O)c2cnc[n-]c2=O)[C@H]1C)CS(C)(=O)=O ZINC001264706724 859430512 /nfs/dbraw/zinc/43/05/12/859430512.db2.gz ORHQTKFBFKUHCB-WZRBSPASSA-N -1 3 356.448 0.056 10 0 FCAEHM COCCCC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)c1cnc[n-]c1=O ZINC001282206427 864122204 /nfs/dbraw/zinc/12/22/04/864122204.db2.gz BITAFDYBSWRSSD-OLZOCXBDSA-N -1 3 350.419 0.966 10 0 FCAEHM CSCCC(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@]23C[C@H]2COC3)n1 ZINC001282233570 864130405 /nfs/dbraw/zinc/13/04/05/864130405.db2.gz MMUXIAXNJXUPIZ-QFYYESIMSA-N -1 3 366.443 0.204 10 0 FCAEHM CO[C@@H](C)CC(=O)NC[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1C ZINC001282468528 864281388 /nfs/dbraw/zinc/28/13/88/864281388.db2.gz VCIZXSBLRAOUSD-NTZNESFSSA-N -1 3 350.419 0.740 10 0 FCAEHM CCN(CC)CC(=O)NC[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1C ZINC001282482787 864293385 /nfs/dbraw/zinc/29/33/85/864293385.db2.gz YUSGGGFLUNBHPC-DGCLKSJQSA-N -1 3 351.451 0.590 10 0 FCAEHM CN(C)S(=O)(=O)c1ccsc1C(=O)[N-]c1cnc(C(N)=O)s1 ZINC001289071744 864897994 /nfs/dbraw/zinc/89/79/94/864897994.db2.gz SXQOJCCPRSEDBN-UHFFFAOYSA-N -1 3 360.442 0.806 10 0 FCAEHM CCO[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CNC(=O)C(C)(C)F ZINC001290262774 865374786 /nfs/dbraw/zinc/37/47/86/865374786.db2.gz VDUOJGABVODWIT-ZYHUDNBSSA-N -1 3 354.382 0.524 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc2ncc(Br)cn2n1 ZINC001292970127 865765706 /nfs/dbraw/zinc/76/57/06/865765706.db2.gz SMZXZFMPGGJHST-VIFPVBQESA-N -1 3 365.191 0.734 10 0 FCAEHM COC[C@@H](O)CCNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001296004478 865934057 /nfs/dbraw/zinc/93/40/57/865934057.db2.gz WRAVHIISYMNODM-LBPRGKRZSA-N -1 3 351.334 0.001 10 0 FCAEHM COC[C@@H](O)CCNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001296004478 865934065 /nfs/dbraw/zinc/93/40/65/865934065.db2.gz WRAVHIISYMNODM-LBPRGKRZSA-N -1 3 351.334 0.001 10 0 FCAEHM CCS(=O)(=O)c1ccc(C(=O)N2CCc3nc[n-]c(=O)c3C2)c(N)c1 ZINC001296620244 865980357 /nfs/dbraw/zinc/98/03/57/865980357.db2.gz LTEWLNAVJXNCKL-UHFFFAOYSA-N -1 3 362.411 0.757 10 0 FCAEHM C[C@H](O)CN1CCN(C(=O)c2nc[n-]c(=O)c2Br)[C@H](C)C1 ZINC001296815298 865990793 /nfs/dbraw/zinc/99/07/93/865990793.db2.gz VQSYDIHKQFZWKP-BDAKNGLRSA-N -1 3 359.224 0.472 10 0 FCAEHM CC(C)(C)OC(=O)N1CC(O)(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)C1 ZINC001300196326 866216006 /nfs/dbraw/zinc/21/60/06/866216006.db2.gz VPTFXAYOPWCZPM-SNVBAGLBSA-N -1 3 352.391 0.413 10 0 FCAEHM NS(=O)(=O)c1ccc(OCC(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)cc1 ZINC001300193707 866216051 /nfs/dbraw/zinc/21/60/51/866216051.db2.gz HPTTZPDVOYSCFP-SNVBAGLBSA-N -1 3 366.399 0.158 10 0 FCAEHM Cc1cc(=O)[n-]c(CNC(=O)c2c(Br)nc3n2CCOC3)n1 ZINC001300202314 866217320 /nfs/dbraw/zinc/21/73/20/866217320.db2.gz WXIQCPGBLQDHDW-UHFFFAOYSA-N -1 3 368.191 0.910 10 0 FCAEHM CN(C)CCN(CC(=O)N(C)C)C(=O)c1ncc(Br)cc1[O-] ZINC001300584756 866228640 /nfs/dbraw/zinc/22/86/40/866228640.db2.gz JTODPBAIZBBXRB-UHFFFAOYSA-N -1 3 373.251 0.642 10 0 FCAEHM Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NCCCc1c[n-][nH]c1=O ZINC001301562167 866271742 /nfs/dbraw/zinc/27/17/42/866271742.db2.gz TVKXJQKIQLLVQO-JTQLQIEISA-N -1 3 356.404 0.080 10 0 FCAEHM CN(CC(=O)NCc1cc(=O)[n-]c(C2CCC2)n1)[C@H]1CCS(=O)(=O)C1 ZINC001301753093 866289034 /nfs/dbraw/zinc/28/90/34/866289034.db2.gz AOWSZKAMTBHSQO-ZDUSSCGKSA-N -1 3 368.459 0.185 10 0 FCAEHM Cn1nc(Br)cc1C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001302842827 866360494 /nfs/dbraw/zinc/36/04/94/866360494.db2.gz KYFPUBBRJVHGKM-UHFFFAOYSA-N -1 3 368.191 0.681 10 0 FCAEHM O=C(c1cc([O-])cc(Br)c1)N1CCS(=O)(=O)CCO1 ZINC001351024114 866759559 /nfs/dbraw/zinc/75/95/59/866759559.db2.gz AUMWMUZBNPUKNT-UHFFFAOYSA-N -1 3 350.190 0.957 10 0 FCAEHM CCO[C@@H]1CN(C(=O)CCC(C)(F)F)C[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001316692280 867401033 /nfs/dbraw/zinc/40/10/33/867401033.db2.gz SCIBVSMGCQWHRB-GHMZBOCLSA-N -1 3 361.393 0.899 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NC[C@H](O)C(F)(F)F ZINC001320690295 868242738 /nfs/dbraw/zinc/24/27/38/868242738.db2.gz PEZKBPFRFYVALS-NSHDSACASA-N -1 3 356.304 0.722 10 0 FCAEHM O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001321482283 868488196 /nfs/dbraw/zinc/48/81/96/868488196.db2.gz MNWSYKZIZJURCY-UHFFFAOYSA-N -1 3 361.324 0.818 10 0 FCAEHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CCC1CS(=O)(=O)C1 ZINC001321722965 868585788 /nfs/dbraw/zinc/58/57/88/868585788.db2.gz RZZPYIVHBWYJLL-UHFFFAOYSA-N -1 3 365.404 0.325 10 0 FCAEHM O=C(NCCOCCCO)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001323148598 869076259 /nfs/dbraw/zinc/07/62/59/869076259.db2.gz ADIADHKZHZTHQQ-UHFFFAOYSA-N -1 3 351.334 0.003 10 0 FCAEHM O=C(NCCOCCCO)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001323148598 869076267 /nfs/dbraw/zinc/07/62/67/869076267.db2.gz ADIADHKZHZTHQQ-UHFFFAOYSA-N -1 3 351.334 0.003 10 0 FCAEHM CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)[C@@H]1CCNC(=O)CC1 ZINC001324532000 869611101 /nfs/dbraw/zinc/61/11/01/869611101.db2.gz JHVXWTAVBRZKHV-JTQLQIEISA-N -1 3 357.407 0.730 10 0 FCAEHM C[C@@H](CC(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@@H]1O)C(F)(F)F ZINC001343686999 870551648 /nfs/dbraw/zinc/55/16/48/870551648.db2.gz PWXCJUZWONOAKK-SFGNSQDASA-N -1 3 362.308 0.072 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)NCc1nc(CNC(=O)C(F)F)cc(=O)[n-]1 ZINC001344650105 870971386 /nfs/dbraw/zinc/97/13/86/870971386.db2.gz MTFUXRMTPZDXEK-ZJUUUORDSA-N -1 3 358.345 0.495 10 0 FCAEHM CC1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC001327683716 871011479 /nfs/dbraw/zinc/01/14/79/871011479.db2.gz YYCGCNGCMFILDH-ZIAGYGMSSA-N -1 3 351.447 0.833 10 0 FCAEHM O=C(NCc1nc(C(F)(F)F)n[n-]1)C(=O)N[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001328114397 871234966 /nfs/dbraw/zinc/23/49/66/871234966.db2.gz YXXBVUKMXTWFJR-FPFOFBBKSA-N -1 3 353.251 0.600 10 0 FCAEHM C[C@@H]1CC[C@H](NC(=O)C(=O)NCc2ccc([O-])c(F)c2)CS1(=O)=O ZINC001328247718 871310748 /nfs/dbraw/zinc/31/07/48/871310748.db2.gz ZUUZQABPOVZUFK-KOLCDFICSA-N -1 3 358.391 0.229 10 0 FCAEHM CC(C)(C)n1nnc(C(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)n1 ZINC001328619132 871546107 /nfs/dbraw/zinc/54/61/07/871546107.db2.gz LQXWVFZFXHFFKZ-UHFFFAOYSA-N -1 3 370.410 0.869 10 0 FCAEHM CNS(=O)(=O)C[C@@H]1CCCN(C(=O)CCc2c(C)nc(C)[n-]c2=O)C1 ZINC001329288301 871934301 /nfs/dbraw/zinc/93/43/01/871934301.db2.gz OWUYVSHTDVCGOL-CYBMUJFWSA-N -1 3 370.475 0.519 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-][C@@H]1CCO[C@@H]1c1nc(C)no1)[C@H]1CCOC1 ZINC001329292585 871937634 /nfs/dbraw/zinc/93/76/34/871937634.db2.gz FRVFMKTWJPNQQW-RNJOBUHISA-N -1 3 361.420 0.179 10 0 FCAEHM COC(=O)c1ccccc1S(=O)(=O)NC1CCN(CC(=O)[O-])CC1 ZINC001329302502 871942761 /nfs/dbraw/zinc/94/27/61/871942761.db2.gz CFMNFNMCSUFSKK-UHFFFAOYSA-N -1 3 356.400 0.301 10 0 FCAEHM CSC[C@@H](CCO)[N-]S(=O)(=O)c1cn(C)nc1Br ZINC001329316087 871949579 /nfs/dbraw/zinc/94/95/79/871949579.db2.gz KHJVLPWKBLKDGG-SSDOTTSWSA-N -1 3 358.283 0.575 10 0 FCAEHM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1cn(C)nc1Br)C1CC1 ZINC001329754047 872231106 /nfs/dbraw/zinc/23/11/06/872231106.db2.gz ISUXZHLKZNOSBS-VIFPVBQESA-N -1 3 366.237 0.803 10 0 FCAEHM Cn1ncc(C(=O)N2CCC(Cc3nnn[n-]3)CC2)c1Br ZINC001347253235 872244631 /nfs/dbraw/zinc/24/46/31/872244631.db2.gz HTUGWGDBQFZJEG-UHFFFAOYSA-N -1 3 354.212 0.791 10 0 FCAEHM Cn1ncc(C(=O)N2CCC(Cc3nn[n-]n3)CC2)c1Br ZINC001347253235 872244649 /nfs/dbraw/zinc/24/46/49/872244649.db2.gz HTUGWGDBQFZJEG-UHFFFAOYSA-N -1 3 354.212 0.791 10 0 FCAEHM Cn1nc(Br)cc1C(=O)N1CCC(Cc2nnn[n-]2)CC1 ZINC001347574600 872396688 /nfs/dbraw/zinc/39/66/88/872396688.db2.gz LEILOADYBUBYAB-UHFFFAOYSA-N -1 3 354.212 0.791 10 0 FCAEHM Cn1nc(Br)cc1C(=O)N1CCC(Cc2nn[n-]n2)CC1 ZINC001347574600 872396707 /nfs/dbraw/zinc/39/67/07/872396707.db2.gz LEILOADYBUBYAB-UHFFFAOYSA-N -1 3 354.212 0.791 10 0 FCAEHM CCCCOC(=O)Cn1cc(I)c(=O)[n-]c1=O ZINC001330282173 872554118 /nfs/dbraw/zinc/55/41/18/872554118.db2.gz YNKGIIHDLATTKL-UHFFFAOYSA-N -1 3 352.128 0.897 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCO[C@@H]2c2nc(C)no2)c(C)o1 ZINC001348446305 872701443 /nfs/dbraw/zinc/70/14/43/872701443.db2.gz DRBSAAVRODWFFW-PWSUYJOCSA-N -1 3 370.387 0.448 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]Cc2nnc3n2CCC3)on1 ZINC001331335017 873066216 /nfs/dbraw/zinc/06/62/16/873066216.db2.gz SPHPHUNRGYUSBV-UHFFFAOYSA-N -1 3 355.376 0.009 10 0 FCAEHM COC(=O)[C@H](C[C@@H]1CCCOC1)NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC001331712532 873210615 /nfs/dbraw/zinc/21/06/15/873210615.db2.gz RTHKGKUXOIBOQX-JSGCOSHPSA-N -1 3 351.403 0.816 10 0 FCAEHM O=C([N-]CC1CCN(C(=O)NCC[C@H]2CNC(=O)C2)CC1)C(F)(F)F ZINC001332458651 873516698 /nfs/dbraw/zinc/51/66/98/873516698.db2.gz HBUVOIFIBXONSZ-LLVKDONJSA-N -1 3 364.368 0.613 10 0 FCAEHM C[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000292503064 214104497 /nfs/dbraw/zinc/10/44/97/214104497.db2.gz SFLAVTONLGGKKQ-MNOVXSKESA-N -1 3 356.423 0.784 10 0 FCAEHM CCn1ncc(C(=O)[N-]c2ncn(CC(=O)NCc3ccccc3)n2)n1 ZINC000293247332 214158321 /nfs/dbraw/zinc/15/83/21/214158321.db2.gz ZELZAZDTXDSSLS-UHFFFAOYSA-N -1 3 354.374 0.458 10 0 FCAEHM CC[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1)[C@H](O)C(F)F ZINC000295370390 214293721 /nfs/dbraw/zinc/29/37/21/214293721.db2.gz DLDZIMMJYRIEFM-ONGXEEELSA-N -1 3 354.350 0.868 10 0 FCAEHM O=C([N-]Cc1ccnc(OC(F)F)c1)C(F)(F)C(=O)N1CCOCC1 ZINC000297364231 214394820 /nfs/dbraw/zinc/39/48/20/214394820.db2.gz FCECVVOCCLUIDU-UHFFFAOYSA-N -1 3 365.283 0.793 10 0 FCAEHM CC(C)CS(=O)(=O)CCC(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000291473806 214037502 /nfs/dbraw/zinc/03/75/02/214037502.db2.gz FIWQWWRAFPLZDE-UHFFFAOYSA-N -1 3 369.443 0.982 10 0 FCAEHM Cc1nncn1CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000265860244 210236033 /nfs/dbraw/zinc/23/60/33/210236033.db2.gz WMDUHKXVSFEPJG-JTQLQIEISA-N -1 3 355.395 0.209 10 0 FCAEHM C[C@H]1CCN(C[C@H](O)C[C@@]2(O)CCOC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000930488664 674031685 /nfs/dbraw/zinc/03/16/85/674031685.db2.gz LOBNCQNVXOHKPM-AIUMHDJVSA-N -1 3 368.396 0.666 10 0 FCAEHM CCOC(=O)CC[C@@H](C)NC(=O)C[N-]S(=O)(=O)c1c(C)noc1C ZINC000291198409 214018931 /nfs/dbraw/zinc/01/89/31/214018931.db2.gz DRHBLIRMZPHANO-SECBINFHSA-N -1 3 361.420 0.418 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1ccc(NC[C@@H]2CCCO2)c(F)c1 ZINC000265761283 210215753 /nfs/dbraw/zinc/21/57/53/210215753.db2.gz AYGKUMUWQHEYKJ-NSHDSACASA-N -1 3 350.350 0.907 10 0 FCAEHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CC[C@@H](NC(N)=O)C1 ZINC000288231760 213731120 /nfs/dbraw/zinc/73/11/20/213731120.db2.gz VKNAGSGNMCEYSM-MRVPVSSYSA-N -1 3 354.388 0.051 10 0 FCAEHM CCNC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000288062003 213702982 /nfs/dbraw/zinc/70/29/82/213702982.db2.gz IZYDANSXTJADNE-MRVPVSSYSA-N -1 3 350.803 0.956 10 0 FCAEHM O=C1CCc2cc(S(=O)(=O)[N-][C@H]3CCc4ncnn4C3)c(F)cc2N1 ZINC000265019266 210038478 /nfs/dbraw/zinc/03/84/78/210038478.db2.gz YDTATFVYABQBKT-JTQLQIEISA-N -1 3 365.390 0.595 10 0 FCAEHM C[C@H](NC(=O)CN1CC(=O)[N-]C1=O)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000264868442 210004261 /nfs/dbraw/zinc/00/42/61/210004261.db2.gz QRVBZXUKTBYODM-NSHDSACASA-N -1 3 374.397 0.073 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000333059940 215230316 /nfs/dbraw/zinc/23/03/16/215230316.db2.gz MZALLIAXJRUAFW-VHDGCEQUSA-N -1 3 357.410 0.734 10 0 FCAEHM C[C@]1(C[C@H]2CCCN2S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)NC(=O)[N-]C1=O ZINC000333172244 215245348 /nfs/dbraw/zinc/24/53/48/215245348.db2.gz NZGIRPJYGLPJDN-ZUSNOYAUSA-N -1 3 355.460 0.957 10 0 FCAEHM CN(CC(=O)[O-])[C@@H]1CN(C(=O)[C@H]2C[C@@]23CCOc2ccccc23)C[C@H]1O ZINC000333312256 215262767 /nfs/dbraw/zinc/26/27/67/215262767.db2.gz VMHWJYLEQJODOS-DEXNDLTESA-N -1 3 360.410 0.315 10 0 FCAEHM CCNC(=O)C[C@H]1CCCCN1C(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000285668769 213374945 /nfs/dbraw/zinc/37/49/45/213374945.db2.gz DKGCXXRUBPBXGE-GFCCVEGCSA-N -1 3 373.500 0.934 10 0 FCAEHM Cc1cc(CS(=O)(=O)[N-]C[C@H](N2CCOCC2)C(F)(F)F)no1 ZINC000285384952 213334160 /nfs/dbraw/zinc/33/41/60/213334160.db2.gz NNOYDRIUBCMYPZ-NSHDSACASA-N -1 3 357.354 0.666 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CO)C[C@H](O)C(C)(C)C)oc1C ZINC000284575151 213172008 /nfs/dbraw/zinc/17/20/08/213172008.db2.gz GQUZMCDQZJTDLP-PWSUYJOCSA-N -1 3 363.432 0.811 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](CO)C[C@@H](O)C(C)(C)C)oc1C ZINC000284575142 213171718 /nfs/dbraw/zinc/17/17/18/213171718.db2.gz GQUZMCDQZJTDLP-CMPLNLGQSA-N -1 3 363.432 0.811 10 0 FCAEHM COC(=O)[C@H]1C[C@H](C2CCCCC2)CN1C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000367371318 216113731 /nfs/dbraw/zinc/11/37/31/216113731.db2.gz KIVUWTPIYMKVCT-RWMBFGLXSA-N -1 3 351.403 0.555 10 0 FCAEHM COC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000367371315 216114502 /nfs/dbraw/zinc/11/45/02/216114502.db2.gz KIVUWTPIYMKVCT-AGIUHOORSA-N -1 3 351.403 0.555 10 0 FCAEHM CC(=O)OCCCS(=O)(=O)[N-][C@H]1CCCN(c2cccnc2)C1=O ZINC000367829833 216169475 /nfs/dbraw/zinc/16/94/75/216169475.db2.gz XZHGUUBHYWQGHV-AWEZNQCLSA-N -1 3 355.416 0.450 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000368152132 216208521 /nfs/dbraw/zinc/20/85/21/216208521.db2.gz MFTBSKLBMXFVFG-ONXXMXGDSA-N -1 3 357.432 0.189 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)c1 ZINC000246287931 209383650 /nfs/dbraw/zinc/38/36/50/209383650.db2.gz IGRRBXUGOLTINH-IAOVAPTHSA-N -1 3 360.439 0.543 10 0 FCAEHM Cc1nc([C@H]([N-]S(=O)(=O)[C@H](C)C(=O)N(C)C)c2ccccc2)n[nH]1 ZINC000193895442 209319745 /nfs/dbraw/zinc/31/97/45/209319745.db2.gz MXCOLNNSUQXKDL-ZWNOBZJWSA-N -1 3 351.432 0.599 10 0 FCAEHM C[C@@H]1CC2(CCC2)CN1S(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000368439296 216248290 /nfs/dbraw/zinc/24/82/90/216248290.db2.gz SSZJNHXDCJDIJK-SNVBAGLBSA-N -1 3 364.427 0.987 10 0 FCAEHM CCn1c(=O)[n-]nc1SCC(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000368737505 216289207 /nfs/dbraw/zinc/28/92/07/216289207.db2.gz UNLTWIHICOFRFZ-GFCCVEGCSA-N -1 3 357.480 0.569 10 0 FCAEHM CC(C)(C)OC(=O)N1CCC[C@@]2(CCN2C(=O)CN2CC(=O)[N-]C2=O)C1 ZINC000368907679 216316675 /nfs/dbraw/zinc/31/66/75/216316675.db2.gz VCANZOYMDQWRPE-QGZVFWFLSA-N -1 3 366.418 0.540 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCn2cc(C)nc2C1 ZINC000369110238 216349692 /nfs/dbraw/zinc/34/96/92/216349692.db2.gz AFQXWPZWIZYAHG-UHFFFAOYSA-N -1 3 370.456 0.304 10 0 FCAEHM O=C(CN1CCN(C(=O)c2cc([O-])ccc2Cl)CC1)N1CCOCC1 ZINC000277443398 212360219 /nfs/dbraw/zinc/36/02/19/212360219.db2.gz LKVCCLSREINLII-UHFFFAOYSA-N -1 3 367.833 0.662 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NC[C@H]1CSCCN1Cc1ccccc1 ZINC000277363519 212353607 /nfs/dbraw/zinc/35/36/07/212353607.db2.gz OVHZTGMHNWKJCU-AWEZNQCLSA-N -1 3 362.455 0.272 10 0 FCAEHM COc1cc(CNC[C@@H]2CC(C(N)=O)=NO2)cc(Br)c1[O-] ZINC000276495887 212243108 /nfs/dbraw/zinc/24/31/08/212243108.db2.gz QZAWPMRCEGQIII-QMMMGPOBSA-N -1 3 358.192 0.883 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC)cn1 ZINC000276271764 212201485 /nfs/dbraw/zinc/20/14/85/212201485.db2.gz QHCCTVIQJMRTSX-OBJOEFQTSA-N -1 3 367.427 0.403 10 0 FCAEHM COC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H]2C=C[C@H](CO)C2)s1 ZINC000276256818 212198960 /nfs/dbraw/zinc/19/89/60/212198960.db2.gz RRKXSACMQHWSRA-WDEREUQCSA-N -1 3 360.457 0.862 10 0 FCAEHM C[C@@H]1OCC[C@H]1S(=O)(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000276122781 212166357 /nfs/dbraw/zinc/16/63/57/212166357.db2.gz ZCUVFKFJVFLIJL-SWLSCSKDSA-N -1 3 354.428 0.657 10 0 FCAEHM COC[C@@H]1CN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)C[C@H](C)O1 ZINC000276064447 212150000 /nfs/dbraw/zinc/15/00/00/212150000.db2.gz SRJBVIRVKVGLMJ-AVGNSLFASA-N -1 3 374.434 0.755 10 0 FCAEHM CO[C@@H](C)[C@H](C)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000276048456 212147329 /nfs/dbraw/zinc/14/73/29/212147329.db2.gz HEKQRIZAMZOWHM-IUCAKERBSA-N -1 3 354.425 0.899 10 0 FCAEHM CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)CN3CC(=O)[N-]C3=O)[C@@H]2C1 ZINC000373250188 217000677 /nfs/dbraw/zinc/00/06/77/217000677.db2.gz OACLERLUMQDWBF-GHMZBOCLSA-N -1 3 352.391 0.006 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)Nc2cccc3c2OCC[C@H]3O)c1 ZINC000373364347 217012120 /nfs/dbraw/zinc/01/21/20/217012120.db2.gz UEUXZZQWOPWWPC-GFCCVEGCSA-N -1 3 366.399 0.153 10 0 FCAEHM C[C@@H](NC(=O)CN1CC(=O)[N-]C1=O)c1ccc(N2CCCNC2=O)cc1 ZINC000291034567 214010038 /nfs/dbraw/zinc/01/00/38/214010038.db2.gz JQAGIUXDFBKBFJ-LLVKDONJSA-N -1 3 359.386 0.335 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)s1 ZINC000374141193 217100453 /nfs/dbraw/zinc/10/04/53/217100453.db2.gz FCHDOASALVXIKT-NDMJEZRESA-N -1 3 371.484 0.672 10 0 FCAEHM CC1(C)CC[C@H](CNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)O1 ZINC000187338281 209210403 /nfs/dbraw/zinc/21/04/03/209210403.db2.gz ZNALPYVKBLNWPD-MRVPVSSYSA-N -1 3 360.208 0.373 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCOC[C@@H]1Cc1c[nH]c2ccccc12 ZINC000375994197 217342940 /nfs/dbraw/zinc/34/29/40/217342940.db2.gz KVEZSKQCKWFPMA-ZDUSSCGKSA-N -1 3 356.382 0.490 10 0 FCAEHM CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1)C(=O)[O-] ZINC000424494114 247239784 /nfs/dbraw/zinc/23/97/84/247239784.db2.gz PHTYQJFMPFKAJE-CABCVRRESA-N -1 3 353.463 0.936 10 0 FCAEHM CC(C)C[C@@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(=O)[O-] ZINC000424426421 247214068 /nfs/dbraw/zinc/21/40/68/247214068.db2.gz STCSLVWBEOEOSO-GJZGRUSLSA-N -1 3 368.478 0.681 10 0 FCAEHM CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000424475782 247231651 /nfs/dbraw/zinc/23/16/51/247231651.db2.gz CFNKATLBSDBBBC-KFWWJZLASA-N -1 3 353.463 0.935 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CC[C@H]2O)c(OC)c1 ZINC000425212410 247305311 /nfs/dbraw/zinc/30/53/11/247305311.db2.gz ZZYDCASNZZLNLZ-GHMZBOCLSA-N -1 3 364.445 0.258 10 0 FCAEHM CC(C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CC[C@H]2O)cc1F ZINC000425208482 247305430 /nfs/dbraw/zinc/30/54/30/247305430.db2.gz PAMXQOKNISDVAO-CHWSQXEVSA-N -1 3 366.436 0.777 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)N[C@@H]2CC[C@H]2O)cc1OC ZINC000425811042 247391970 /nfs/dbraw/zinc/39/19/70/247391970.db2.gz LABKFTFSDOLMRZ-ZYHUDNBSSA-N -1 3 371.415 0.035 10 0 FCAEHM O=C(Cc1ccc(Br)cc1[O-])NCCNC(=O)c1ccn[nH]1 ZINC000433379414 247860945 /nfs/dbraw/zinc/86/09/45/247860945.db2.gz YTSHQTCKLIMRHR-UHFFFAOYSA-N -1 3 367.203 0.967 10 0 FCAEHM COC(=O)CNC(=O)Cc1ccc([N-]S(=O)(=O)CC(C)(C)OC)cc1 ZINC000436477304 248041154 /nfs/dbraw/zinc/04/11/54/248041154.db2.gz LWIITZMYRBLBEA-UHFFFAOYSA-N -1 3 372.443 0.685 10 0 FCAEHM COc1cc(NC(=O)C[N-]S(=O)(=O)c2cn(C)c(C)n2)ccc1O ZINC000438072822 248074529 /nfs/dbraw/zinc/07/45/29/248074529.db2.gz LHTIESXNQAKVFR-UHFFFAOYSA-N -1 3 354.388 0.360 10 0 FCAEHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1cnn(-c2ncccn2)c1 ZINC000436773815 248049146 /nfs/dbraw/zinc/04/91/46/248049146.db2.gz QSVOQFJHVZZYFE-UHFFFAOYSA-N -1 3 367.369 0.919 10 0 FCAEHM COCCO[C@H]1CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000440572936 248197666 /nfs/dbraw/zinc/19/76/66/248197666.db2.gz CGEPPBONLAUFFR-STQMWFEESA-N -1 3 374.434 0.756 10 0 FCAEHM CN(CCCO)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000442620672 248292616 /nfs/dbraw/zinc/29/26/16/248292616.db2.gz JNEOIMYAYSFHAB-UHFFFAOYSA-N -1 3 351.375 0.267 10 0 FCAEHM CS(=O)(=O)NCCC[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442910705 248299757 /nfs/dbraw/zinc/29/97/57/248299757.db2.gz CFDBPUUOKFVLSF-UHFFFAOYSA-N -1 3 361.367 0.318 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000442950724 248300916 /nfs/dbraw/zinc/30/09/16/248300916.db2.gz ZAFLFNJQYKUQQH-CYBMUJFWSA-N -1 3 373.500 0.452 10 0 FCAEHM O=C(Nc1csc2ccccc12)C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000442023189 248271252 /nfs/dbraw/zinc/27/12/52/248271252.db2.gz WXCIZRNFEGXQRI-LLVKDONJSA-N -1 3 358.379 0.602 10 0 FCAEHM CO[C@@H](C)c1cccc(NC(=O)C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)c1 ZINC000442030760 248272131 /nfs/dbraw/zinc/27/21/31/248272131.db2.gz UEMMLKHHOUVFRR-GXFFZTMASA-N -1 3 360.370 0.095 10 0 FCAEHM C[C@@H](O)CN(C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F)[C@H](C)CO ZINC000443789258 248339901 /nfs/dbraw/zinc/33/99/01/248339901.db2.gz LIXRMEOXLQZQOA-UTUOFQBUSA-N -1 3 362.423 0.083 10 0 FCAEHM CC(C)(COc1ncccc1C(F)(F)F)NC(=O)CN1CC(=O)[N-]C1=O ZINC000448455579 248448240 /nfs/dbraw/zinc/44/82/40/248448240.db2.gz TWKNSRPWDCFNEU-UHFFFAOYSA-N -1 3 374.319 0.926 10 0 FCAEHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1CCCCN1CCO ZINC000451668018 248522779 /nfs/dbraw/zinc/52/27/79/248522779.db2.gz KDBAKERLYCZXFN-LBPRGKRZSA-N -1 3 374.434 0.737 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CC[C@@](O)(C(F)F)C1 ZINC000452674798 249326419 /nfs/dbraw/zinc/32/64/19/249326419.db2.gz ZBCDIPXVZTZIKV-XPTSAGLGSA-N -1 3 366.361 0.721 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CC[C@](O)(C(F)F)C1 ZINC000452674797 249327205 /nfs/dbraw/zinc/32/72/05/249327205.db2.gz ZBCDIPXVZTZIKV-LKFCYVNXSA-N -1 3 366.361 0.721 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)N1CC[C@@](O)(C(F)F)C1 ZINC000452688230 249328100 /nfs/dbraw/zinc/32/81/00/249328100.db2.gz XVUMYSXFPSQVEU-AWEZNQCLSA-N -1 3 366.361 0.723 10 0 FCAEHM CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000271392198 211393433 /nfs/dbraw/zinc/39/34/33/211393433.db2.gz GGGVWSCLYWHYPK-QFYYESIMSA-N -1 3 356.423 0.640 10 0 FCAEHM COC(=O)C[N-]S(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1 ZINC000271217950 211357777 /nfs/dbraw/zinc/35/77/77/211357777.db2.gz NXDSVUCGHZALRT-UHFFFAOYSA-N -1 3 362.473 0.904 10 0 FCAEHM Cc1nn(C)c(C)c1OS(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000271086754 211331508 /nfs/dbraw/zinc/33/15/08/211331508.db2.gz ZZARNPQEVXOHPS-UHFFFAOYSA-N -1 3 365.371 0.152 10 0 FCAEHM NC(=O)COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCC[C@H]1O ZINC000271116928 211338789 /nfs/dbraw/zinc/33/87/89/211338789.db2.gz OQWNPJYHAGLPRA-GXSJLCMTSA-N -1 3 362.835 0.643 10 0 FCAEHM CC[C@@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000271112914 211338157 /nfs/dbraw/zinc/33/81/57/211338157.db2.gz JIRWAGHAUYDMLI-IJEWVQPXSA-N -1 3 370.413 0.669 10 0 FCAEHM COC(=O)CCCOc1ccc(CNC(=O)C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000270765219 211263535 /nfs/dbraw/zinc/26/35/35/211263535.db2.gz ZPLPJDLPYVILOD-ZDUSSCGKSA-N -1 3 363.370 0.233 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)NCC[C@H](OC)C(F)(F)F)cn1 ZINC000469953906 250015008 /nfs/dbraw/zinc/01/50/08/250015008.db2.gz QUYBOUWHXNKRQT-VIFPVBQESA-N -1 3 355.338 0.687 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000470813958 250066586 /nfs/dbraw/zinc/06/65/86/250066586.db2.gz YGDRXBFIEUKHJJ-SKDRFNHKSA-N -1 3 359.386 0.314 10 0 FCAEHM O=C(CNC(=O)c1cccc(O)c1)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000471360362 250097915 /nfs/dbraw/zinc/09/79/15/250097915.db2.gz NBTZTXXTCYJJFL-UHFFFAOYSA-N -1 3 352.354 0.865 10 0 FCAEHM O=C(CNC(=O)c1cccc(O)c1)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000471360362 250097919 /nfs/dbraw/zinc/09/79/19/250097919.db2.gz NBTZTXXTCYJJFL-UHFFFAOYSA-N -1 3 352.354 0.865 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CCNc1ccccn1 ZINC000472349844 250146223 /nfs/dbraw/zinc/14/62/23/250146223.db2.gz STPYZAKJBRIGHK-UHFFFAOYSA-N -1 3 355.441 0.876 10 0 FCAEHM CO[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)C1 ZINC000472196120 250137710 /nfs/dbraw/zinc/13/77/10/250137710.db2.gz FOFPRMGFIYAZRI-NWDGAFQWSA-N -1 3 362.473 0.783 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H]2COc3ccccc3O2)cn1 ZINC000472246546 250141893 /nfs/dbraw/zinc/14/18/93/250141893.db2.gz HPZGMPZADONVRK-LBPRGKRZSA-N -1 3 363.395 0.560 10 0 FCAEHM C[C@H]1CCCN1S(=O)(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000472580025 250161760 /nfs/dbraw/zinc/16/17/60/250161760.db2.gz JYGSHKVTFSXGAD-ZDUSSCGKSA-N -1 3 353.444 0.879 10 0 FCAEHM C[C@H](CO)[C@H](C)NC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000269878722 211106900 /nfs/dbraw/zinc/10/69/00/211106900.db2.gz JYLRZQBQJDXWSK-BDAKNGLRSA-N -1 3 369.896 0.996 10 0 FCAEHM CN(C)C(=O)COc1ccc(NC(=O)C(=O)NCc2ncccc2[O-])cc1 ZINC000473047818 250194918 /nfs/dbraw/zinc/19/49/18/250194918.db2.gz KOUOPJXKDUVHFP-UHFFFAOYSA-N -1 3 372.381 0.509 10 0 FCAEHM O=C(NCc1ncccc1[O-])C(=O)Nc1cccc(N2CCCNC2=O)c1 ZINC000473044231 250195379 /nfs/dbraw/zinc/19/53/79/250195379.db2.gz GUBPODOMVRCQIN-UHFFFAOYSA-N -1 3 369.381 0.962 10 0 FCAEHM COC(=O)COc1cccc(NC(=O)C(=O)NCc2ncccc2[O-])c1 ZINC000473043390 250195545 /nfs/dbraw/zinc/19/55/45/250195545.db2.gz SONDPFQFIFVOAD-UHFFFAOYSA-N -1 3 359.338 0.594 10 0 FCAEHM O=C(CSCC(=O)NCc1ncccc1O)NCc1ncccc1[O-] ZINC000473632894 250242234 /nfs/dbraw/zinc/24/22/34/250242234.db2.gz FDYKQLBWJZHXQA-UHFFFAOYSA-N -1 3 362.411 0.554 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]CCNC(=O)c2c(F)cccc2F)c1 ZINC000474134658 250274068 /nfs/dbraw/zinc/27/40/68/250274068.db2.gz JIEGFVNHOGDFRN-UHFFFAOYSA-N -1 3 358.370 0.890 10 0 FCAEHM CC(C)CC[C@](C)(O)C[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000480665348 250277341 /nfs/dbraw/zinc/27/73/41/250277341.db2.gz CAULCTRWTRFZMS-AWEZNQCLSA-N -1 3 364.489 0.951 10 0 FCAEHM CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NCc2ncccc2[O-])c1 ZINC000480726234 250280501 /nfs/dbraw/zinc/28/05/01/250280501.db2.gz GNKAQDOXSRVZCN-UHFFFAOYSA-N -1 3 371.440 0.516 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC[C@H](C)[S@](C)=O)s1 ZINC000481074965 250312278 /nfs/dbraw/zinc/31/22/78/250312278.db2.gz FBHVPAAMDXMMJZ-LXGOIASLSA-N -1 3 352.503 0.820 10 0 FCAEHM C[C@]1(c2ccc(C(=O)N[C@H]3CCC[C@@H](C(N)=O)C3)cc2)NC(=O)[N-]C1=O ZINC000480841290 250287140 /nfs/dbraw/zinc/28/71/40/250287140.db2.gz GYVOMHUUZADDBO-SUFBMKPHSA-N -1 3 358.398 0.515 10 0 FCAEHM COC(=O)[C@H]1CCN(C(=O)NCC[N-]S(=O)(=O)c2cccs2)C1 ZINC000269674016 211039632 /nfs/dbraw/zinc/03/96/32/211039632.db2.gz NBBAVYVNSLVKSU-JTQLQIEISA-N -1 3 361.445 0.231 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCCC2(C1)OCCO2 ZINC000269609970 211021654 /nfs/dbraw/zinc/02/16/54/211021654.db2.gz RMDUPZVHRYMNRS-LBPRGKRZSA-N -1 3 372.418 0.858 10 0 FCAEHM C[C@@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)c1ccc(F)c(F)c1 ZINC000088572483 208118586 /nfs/dbraw/zinc/11/85/86/208118586.db2.gz WHTSFIJFYICQLL-SECBINFHSA-N -1 3 358.370 0.854 10 0 FCAEHM NC(=O)CN1CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CC1 ZINC000107676958 208244255 /nfs/dbraw/zinc/24/42/55/208244255.db2.gz OJZCYOJEISTCDG-UHFFFAOYSA-N -1 3 373.438 0.848 10 0 FCAEHM O=C(N[C@@H]1CCc2ncnn2C1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000112725470 208301467 /nfs/dbraw/zinc/30/14/67/208301467.db2.gz OOXYDBWQLBGHPK-OCCSQVGLSA-N -1 3 355.398 0.720 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)NCCn2cc(C)cn2)s1 ZINC000118056608 208347296 /nfs/dbraw/zinc/34/72/96/208347296.db2.gz YNDNMSCKSHQSMG-UHFFFAOYSA-N -1 3 357.461 0.661 10 0 FCAEHM CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)CN2CC(=O)[N-]C2=O)n1 ZINC000266721994 210389917 /nfs/dbraw/zinc/38/99/17/210389917.db2.gz VDDAEZCEXLBKCP-JTQLQIEISA-N -1 3 353.379 0.313 10 0 FCAEHM CC(C)Cn1c(=O)[n-]c(=O)c2c(C(=O)N3CC(CO)C3)cc(C(C)C)nc21 ZINC000157015001 208795476 /nfs/dbraw/zinc/79/54/76/208795476.db2.gz JXGSHKPLRCPJKC-UHFFFAOYSA-N -1 3 374.441 0.929 10 0 FCAEHM CN1CCN([C@H]2CCCCN(C(=O)c3ccc4c(c3)C(=O)[N-]C4=O)C2)CC1 ZINC000176673402 209007989 /nfs/dbraw/zinc/00/79/89/209007989.db2.gz AMFYEKKEBMNUES-HNNXBMFYSA-N -1 3 370.453 0.812 10 0 FCAEHM Cc1nc2n(n1)CCC[C@H]2NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000177707889 209034744 /nfs/dbraw/zinc/03/47/44/209034744.db2.gz CRAJPDKACAVNOT-CQSZACIVSA-N -1 3 368.397 0.631 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)N[C@H]1Cc2ccccc2[C@H]1O ZINC000178554587 209052331 /nfs/dbraw/zinc/05/23/31/209052331.db2.gz KEAVLCHBUDTVJZ-SWLSCSKDSA-N -1 3 352.437 0.801 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCCCc1ccccn1 ZINC000178633634 209053540 /nfs/dbraw/zinc/05/35/40/209053540.db2.gz OWPRRASDKMIHGE-UHFFFAOYSA-N -1 3 367.203 0.443 10 0 FCAEHM O=C(NC[C@@H]1CN2CCN1CC2)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000179025210 209069858 /nfs/dbraw/zinc/06/98/58/209069858.db2.gz WVYOZNQTYAQQDZ-GDBMZVCRSA-N -1 3 358.442 0.113 10 0 FCAEHM CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000409788467 533404186 /nfs/dbraw/zinc/40/41/86/533404186.db2.gz DQBUOANWDVKVOD-ZANVPECISA-N -1 3 368.427 0.961 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1ccccc1F)c1nc([C@@H]2CNCCN2C)no1 ZINC000263239829 533486643 /nfs/dbraw/zinc/48/66/43/533486643.db2.gz OKIPFENYIZLCFF-PWSUYJOCSA-N -1 3 369.422 0.824 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)NCC[C@@H](O)C(F)(F)F ZINC000410056443 230055946 /nfs/dbraw/zinc/05/59/46/230055946.db2.gz YVVGMJUWVUCHQQ-MRVPVSSYSA-N -1 3 360.379 0.846 10 0 FCAEHM C[C@]1(c2ccc(C(=O)NCC[C@@H](O)C(F)(F)F)cc2)NC(=O)[N-]C1=O ZINC000410063562 230057075 /nfs/dbraw/zinc/05/70/75/230057075.db2.gz WLKRCNJBSSPOSI-QMTHXVAHSA-N -1 3 359.304 0.784 10 0 FCAEHM C[C@@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000632499684 450583826 /nfs/dbraw/zinc/58/38/26/450583826.db2.gz MIPCZFDCEVHWMH-SNVBAGLBSA-N -1 3 361.851 0.786 10 0 FCAEHM Cn1ccc(NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])n1 ZINC000614039849 484493864 /nfs/dbraw/zinc/49/38/64/484493864.db2.gz HHWKRJQAKGJEOF-ZDUSSCGKSA-N -1 3 371.397 0.485 10 0 FCAEHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c1 ZINC000363705113 488876130 /nfs/dbraw/zinc/87/61/30/488876130.db2.gz ZELDODXRNXDHCP-XWIASGKRSA-N -1 3 370.402 0.900 10 0 FCAEHM CC(C)Oc1ccc(S(=O)(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000278649797 488887130 /nfs/dbraw/zinc/88/71/30/488887130.db2.gz GPQJOYTUUUCSCD-INIZCTEOSA-N -1 3 367.427 0.837 10 0 FCAEHM Cc1nc(NC(=O)[C@@H](C)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)sc1C ZINC000278744319 488893197 /nfs/dbraw/zinc/89/31/97/488893197.db2.gz AGTIEJZKTUPKPK-RFAUZJTJSA-N -1 3 351.432 0.761 10 0 FCAEHM CCC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H]1C[C@@]1(C)NC(=O)[N-]C1=O ZINC000287692714 488895727 /nfs/dbraw/zinc/89/57/27/488895727.db2.gz CYHLUESPTDYROG-GLKRBJQHSA-N -1 3 368.459 0.277 10 0 FCAEHM COc1ccc(-c2noc(CN3CCC[C@]4(C3)NC(=O)[N-]C4=O)n2)cc1 ZINC000279056965 488913945 /nfs/dbraw/zinc/91/39/45/488913945.db2.gz LFMPXINNXYESBL-QGZVFWFLSA-N -1 3 357.370 0.919 10 0 FCAEHM Cc1ccc(NC(=O)NC(=O)CN2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1C ZINC000279065137 488914678 /nfs/dbraw/zinc/91/46/78/488914678.db2.gz MADGMFCHAJOYTO-GOSISDBHSA-N -1 3 373.413 0.626 10 0 FCAEHM CC(=O)c1cccc(OC[C@@H](O)CN2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000279071817 488914843 /nfs/dbraw/zinc/91/48/43/488914843.db2.gz MSLXWCSGNOTFDT-KBXCAEBGSA-N -1 3 361.398 0.303 10 0 FCAEHM CCCCc1nnc(NC(=O)CN2CCC[C@@]3(C2)NC(=O)[N-]C3=O)s1 ZINC000279119386 488918781 /nfs/dbraw/zinc/91/87/81/488918781.db2.gz UMCRTWBOHNWUPN-HNNXBMFYSA-N -1 3 366.447 0.493 10 0 FCAEHM CCOc1cccc(CNC(=O)CN2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000279118139 488918178 /nfs/dbraw/zinc/91/81/78/488918178.db2.gz UHMCJFHJMSRTLP-SFHVURJKSA-N -1 3 360.414 0.376 10 0 FCAEHM C[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](N(C)Cc2cc(=O)[n-]c(N(C)C)n2)C1 ZINC000328629015 488924305 /nfs/dbraw/zinc/92/43/05/488924305.db2.gz HTUTUWBQYIKUKT-CFVMTHIKSA-N -1 3 363.462 0.706 10 0 FCAEHM CN(Cc1cc(=O)[n-]c(N)n1)[C@H]1CCN(C(=O)c2cc(C(C)(C)C)n[nH]2)C1 ZINC000328650616 488926724 /nfs/dbraw/zinc/92/67/24/488926724.db2.gz VOQXRCOBMYYGEY-LBPRGKRZSA-N -1 3 373.461 1.132 10 0 FCAEHM CC(C)(C)OC(=O)NCCCC(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279455882 488943142 /nfs/dbraw/zinc/94/31/42/488943142.db2.gz KUPLITMKCYLEBT-INIZCTEOSA-N -1 3 354.407 0.492 10 0 FCAEHM C[C@@H]1Sc2ccc(C(=O)N3CCC[C@]4(C3)NC(=O)[N-]C4=O)cc2NC1=O ZINC000279463158 488944143 /nfs/dbraw/zinc/94/41/43/488944143.db2.gz LGXMAZTZIBEOKU-HUTHGQBESA-N -1 3 374.422 0.934 10 0 FCAEHM CC(=O)Nc1ccc(C=CC(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000279468996 488944768 /nfs/dbraw/zinc/94/47/68/488944768.db2.gz LQMGDRZMDPDHFN-MOTZXUDYSA-N -1 3 356.382 0.859 10 0 FCAEHM CCc1nc(-c2ccc(C(=O)N3CCC[C@@]4(C3)NC(=O)[N-]C4=O)cc2)n[nH]1 ZINC000279516397 488948596 /nfs/dbraw/zinc/94/85/96/488948596.db2.gz PAVVPOQNSLKXME-SFHVURJKSA-N -1 3 368.397 0.848 10 0 FCAEHM O=C(c1cncnc1-c1ccccc1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279543222 488950855 /nfs/dbraw/zinc/95/08/55/488950855.db2.gz QUORBLPYIZENQA-SFHVURJKSA-N -1 3 351.366 0.958 10 0 FCAEHM CC(=O)CCc1ccc(OCC(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000279539017 488951092 /nfs/dbraw/zinc/95/10/92/488951092.db2.gz QPSMAHWWCWXPPO-IBGZPJMESA-N -1 3 373.409 0.788 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)NC[C@@H]1COc2ccccc2O1 ZINC000024650092 487647742 /nfs/dbraw/zinc/64/77/42/487647742.db2.gz ZBIRNINHUUBXNC-LLVKDONJSA-N -1 3 368.436 0.983 10 0 FCAEHM COC(=O)CCCN(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000032278155 487771828 /nfs/dbraw/zinc/77/18/28/487771828.db2.gz DPEJJNVDOIBDOJ-NSHDSACASA-N -1 3 360.407 0.904 10 0 FCAEHM Cc1cc(CS(=O)(=O)[N-]Cc2ccc(S(N)(=O)=O)s2)no1 ZINC000040384721 487813583 /nfs/dbraw/zinc/81/35/83/487813583.db2.gz AJFYMWBMKQUHTM-UHFFFAOYSA-N -1 3 351.431 0.312 10 0 FCAEHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCCNC2=O)ccc1F ZINC000050634880 488111762 /nfs/dbraw/zinc/11/17/62/488111762.db2.gz NTHSXJBJAPEQBG-LBPRGKRZSA-N -1 3 371.434 0.911 10 0 FCAEHM CCn1c(=O)[n-]c(=O)c2c(C(=O)N[C@H]3CCCNC3=O)cc(C(C)C)nc21 ZINC000050634896 488111799 /nfs/dbraw/zinc/11/17/99/488111799.db2.gz NJIRQDOODUICDW-NSHDSACASA-N -1 3 373.413 0.237 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)N(C)C[C@@H]2CCCO2)ccc1F ZINC000288344644 488972477 /nfs/dbraw/zinc/97/24/77/488972477.db2.gz ZVSCIWVRRPEWCC-NSHDSACASA-N -1 3 373.406 0.310 10 0 FCAEHM Cc1nn(-c2ccccc2)cc1CCCNC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000057013807 488264012 /nfs/dbraw/zinc/26/40/12/488264012.db2.gz PFHWZDVDKBMSRZ-HNNXBMFYSA-N -1 3 355.398 0.828 10 0 FCAEHM O=C([C@@H]1CC(=O)N(C2CCCCC2)C1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000569792249 491191764 /nfs/dbraw/zinc/19/17/64/491191764.db2.gz UTWJRNLLQNIFTI-XIKOKIGWSA-N -1 3 362.430 0.368 10 0 FCAEHM C[C@H]1CC[C@H](C(N)=O)CN1C(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000068100952 488360550 /nfs/dbraw/zinc/36/05/50/488360550.db2.gz SJKSSZBSMMMMKH-QWRGUYRKSA-N -1 3 359.473 0.529 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H](CC)[C@H](O)C(F)F)on1 ZINC000599319501 492159493 /nfs/dbraw/zinc/15/94/93/492159493.db2.gz FSUPITMPWDNKKY-WPRPVWTQSA-N -1 3 356.347 0.675 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(C(C)=O)C[C@H]2C)ccc1F ZINC000268666162 488439854 /nfs/dbraw/zinc/43/98/54/488439854.db2.gz AGDXRHPGMAZOPO-SNVBAGLBSA-N -1 3 357.407 0.427 10 0 FCAEHM CC(=O)N1CCN(C(=O)CC[N-]S(=O)(=O)c2cccs2)[C@H](C)C1 ZINC000268697265 488443032 /nfs/dbraw/zinc/44/30/32/488443032.db2.gz GEXDJJVPPMDUFG-LLVKDONJSA-N -1 3 359.473 0.496 10 0 FCAEHM CN(C)CCN(CC(=O)[O-])C(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000237121551 488454269 /nfs/dbraw/zinc/45/42/69/488454269.db2.gz CBYCVMVNXUWWIE-UHFFFAOYSA-N -1 3 362.474 0.279 10 0 FCAEHM Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000269237445 488481068 /nfs/dbraw/zinc/48/10/68/488481068.db2.gz HBHUWPHBINIEOK-SCLBCKFNSA-N -1 3 368.397 0.906 10 0 FCAEHM O=C1[N-]C(=O)[C@]2(CCN(S(=O)(=O)c3ccc(Br)cc3)C2)N1 ZINC000096767801 488491694 /nfs/dbraw/zinc/49/16/94/488491694.db2.gz KOXCZZFZXLDKPN-GFCCVEGCSA-N -1 3 374.216 0.422 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)NCc2cccc(C)n2)cn1C ZINC000101648477 488495403 /nfs/dbraw/zinc/49/54/03/488495403.db2.gz IBPWSJPGVAVDRX-UHFFFAOYSA-N -1 3 351.432 0.417 10 0 FCAEHM Cc1ncc(CNC(=O)CC[N-]S(=O)(=O)c2cn(C)c(C)n2)s1 ZINC000101651399 488495597 /nfs/dbraw/zinc/49/55/97/488495597.db2.gz WYQWRWNHVGMDOD-UHFFFAOYSA-N -1 3 357.461 0.478 10 0 FCAEHM Cn1ncc2c1ncn(CC(=O)Nc1n[n-]c(-c3ccccc3F)n1)c2=O ZINC000102824082 488498887 /nfs/dbraw/zinc/49/88/87/488498887.db2.gz ZLGHKGLIFAUIKO-UHFFFAOYSA-N -1 3 368.332 0.693 10 0 FCAEHM C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)CN1CC(=O)[N-]C1=O ZINC000271461614 488521127 /nfs/dbraw/zinc/52/11/27/488521127.db2.gz RENJVWRUIIMWKL-GHMZBOCLSA-N -1 3 354.407 0.395 10 0 FCAEHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)NCC(=O)N(C)C ZINC000111540952 488530463 /nfs/dbraw/zinc/53/04/63/488530463.db2.gz NSAADCBDJZYZJR-UHFFFAOYSA-N -1 3 370.365 0.398 10 0 FCAEHM CCOC(=O)c1cn[n-]c1S(=O)(=O)N1CCNC[C@H]1c1cccnc1 ZINC000261800313 488536438 /nfs/dbraw/zinc/53/64/38/488536438.db2.gz VUJKWYQYUKQWOV-ZDUSSCGKSA-N -1 3 365.415 0.317 10 0 FCAEHM CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CCNC[C@H]1c1cccnc1 ZINC000261800313 488536442 /nfs/dbraw/zinc/53/64/42/488536442.db2.gz VUJKWYQYUKQWOV-ZDUSSCGKSA-N -1 3 365.415 0.317 10 0 FCAEHM CCOCCN1CCN(C(=O)CCc2c(C)nc(C)[n-]c2=O)C[C@@H]1C ZINC000117283101 488550840 /nfs/dbraw/zinc/55/08/40/488550840.db2.gz KIEORSYQOTZXTI-ZDUSSCGKSA-N -1 3 350.463 0.889 10 0 FCAEHM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)C1 ZINC000272560983 488588645 /nfs/dbraw/zinc/58/86/45/488588645.db2.gz UIEHJRUODZPZSV-AXFHLTTASA-N -1 3 354.407 0.346 10 0 FCAEHM Cc1ccc(N2CC[C@@H](N3CCO[C@H](CN(C)CC(=O)[O-])C3)C2=O)cc1 ZINC000262873305 488597467 /nfs/dbraw/zinc/59/74/67/488597467.db2.gz MOMJNEPGSHZPJQ-IAGOWNOFSA-N -1 3 361.442 0.818 10 0 FCAEHM CN1CC[C@H](NC(=O)CC[C@H]2NC(=O)[N-]C2=O)[C@@H]1c1ccc(F)c(F)c1 ZINC000127511062 488617538 /nfs/dbraw/zinc/61/75/38/488617538.db2.gz TYJJTTWUMWAMDP-GUTXKFCHSA-N -1 3 366.368 0.814 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCc2c(Br)cccc2C1 ZINC000128992843 488627937 /nfs/dbraw/zinc/62/79/37/488627937.db2.gz HYRLZUYRHMPCKU-NSHDSACASA-N -1 3 352.188 0.932 10 0 FCAEHM C[C@@H](CN1CCOCC1)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000273127732 488633396 /nfs/dbraw/zinc/63/33/96/488633396.db2.gz UKTJXJFGLWZEQW-LBPRGKRZSA-N -1 3 361.489 0.111 10 0 FCAEHM C[C@H](CN1CCOCC1)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000273127731 488633457 /nfs/dbraw/zinc/63/34/57/488633457.db2.gz UKTJXJFGLWZEQW-GFCCVEGCSA-N -1 3 361.489 0.111 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CCCN2CCOC2=O)s1 ZINC000264017569 488643461 /nfs/dbraw/zinc/64/34/61/488643461.db2.gz VEMMTJJCKFTNLW-UHFFFAOYSA-N -1 3 361.445 0.505 10 0 FCAEHM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000264248526 488658099 /nfs/dbraw/zinc/65/80/99/488658099.db2.gz ZVIBJGDFKVGWKA-CQSZACIVSA-N -1 3 356.382 0.407 10 0 FCAEHM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000264248525 488658189 /nfs/dbraw/zinc/65/81/89/488658189.db2.gz ZVIBJGDFKVGWKA-AWEZNQCLSA-N -1 3 356.382 0.407 10 0 FCAEHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N1CC[C@H](O)C1 ZINC000133381910 488659332 /nfs/dbraw/zinc/65/93/32/488659332.db2.gz JDOBAIHEHBTQSP-LBPRGKRZSA-N -1 3 355.350 0.787 10 0 FCAEHM C[C@H]1CN(Cc2ccc(CNC(=O)CN3CC(=O)[N-]C3=O)cc2)C[C@H](C)O1 ZINC000264618484 488691361 /nfs/dbraw/zinc/69/13/61/488691361.db2.gz BBRDAVPWLONFAN-KBPBESRZSA-N -1 3 374.441 0.464 10 0 FCAEHM C[C@H]1CCCN(Cc2csc(NC(=O)CN3CC(=O)[N-]C3=O)n2)C1 ZINC000264678372 488697185 /nfs/dbraw/zinc/69/71/85/488697185.db2.gz KNIHUHJUINFCCN-JTQLQIEISA-N -1 3 351.432 0.865 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000264757903 488707930 /nfs/dbraw/zinc/70/79/30/488707930.db2.gz TZPMTEWQTAUPQT-GFCCVEGCSA-N -1 3 360.418 0.262 10 0 FCAEHM CC[C@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)c1c(C)nn(C)c1C ZINC000151725582 488708841 /nfs/dbraw/zinc/70/88/41/488708841.db2.gz NSJOOUQGSXHKCC-LBPRGKRZSA-N -1 3 368.463 0.316 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCO[C@]2(CCOC2)C1 ZINC000274603939 488722789 /nfs/dbraw/zinc/72/27/89/488722789.db2.gz XQVRZFPRQGOVND-SMDDNHRTSA-N -1 3 360.457 0.433 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000266881225 488740200 /nfs/dbraw/zinc/74/02/00/488740200.db2.gz AMMLPAYFFGBTEF-UHFFFAOYSA-N -1 3 372.425 0.136 10 0 FCAEHM COC(=O)c1cccc(S(=O)(=O)NC2CCN(CC(=O)[O-])CC2)c1C ZINC000275233719 488775337 /nfs/dbraw/zinc/77/53/37/488775337.db2.gz JMMPTJMNDHNRDK-UHFFFAOYSA-N -1 3 370.427 0.609 10 0 FCAEHM C[C@](NC(=O)CN1CC(=O)[N-]C1=O)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000267341149 488779197 /nfs/dbraw/zinc/77/91/97/488779197.db2.gz ZRIHCWBBNRLOGG-CQSZACIVSA-N -1 3 372.303 0.074 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCC1(C)OCCCO1 ZINC000277918543 488792959 /nfs/dbraw/zinc/79/29/59/488792959.db2.gz RDVDKLPDPVVMEV-NSHDSACASA-N -1 3 360.407 0.762 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000171663031 488825594 /nfs/dbraw/zinc/82/55/94/488825594.db2.gz LHSVKSKWCLIGQR-RYUDHWBXSA-N -1 3 369.472 0.870 10 0 FCAEHM C[C@@H](CO[C@H]1CCOC1)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000267947656 488830486 /nfs/dbraw/zinc/83/04/86/488830486.db2.gz JOJDQQUZYSMUBB-AVGNSLFASA-N -1 3 374.434 0.803 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)Nc1cccc(-c2nc[nH]n2)c1 ZINC000268099730 488839623 /nfs/dbraw/zinc/83/96/23/488839623.db2.gz DUVAQCOYBOAKQI-UHFFFAOYSA-N -1 3 353.404 0.366 10 0 FCAEHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000174670291 488850796 /nfs/dbraw/zinc/85/07/96/488850796.db2.gz LOYGLEYUOFWNFP-ZDUSSCGKSA-N -1 3 357.414 0.430 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)NC[C@@](C)(O)C2CCCCC2)c1 ZINC000570207749 491225048 /nfs/dbraw/zinc/22/50/48/491225048.db2.gz CPELANFUBAKZDN-OAHLLOKOSA-N -1 3 358.464 0.146 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-][C@H](c2nc[nH]n2)c2ccccc2)C[C@@H](C)O1 ZINC000364606720 488977512 /nfs/dbraw/zinc/97/75/12/488977512.db2.gz KJVWQQJGRPOSEN-BZPMIXESSA-N -1 3 351.432 0.838 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000570252433 491227823 /nfs/dbraw/zinc/22/78/23/491227823.db2.gz ZYZJVRHBWGPVNU-ZIAGYGMSSA-N -1 3 371.459 0.845 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CC(CC(N)=O)C1 ZINC000280564726 489018610 /nfs/dbraw/zinc/01/86/10/489018610.db2.gz XDCLLKJCUKDIKD-UHFFFAOYSA-N -1 3 353.400 0.506 10 0 FCAEHM CNC(=O)[C@]1(C)CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000280798417 489032337 /nfs/dbraw/zinc/03/23/37/489032337.db2.gz QWGOGARAVSVGBD-MEDUHNTESA-N -1 3 371.434 0.477 10 0 FCAEHM O=C(CN1CCC[C@H](c2nc(=O)[n-][nH]2)C1)NC(=O)NCc1ccccc1 ZINC000289167272 489046567 /nfs/dbraw/zinc/04/65/67/489046567.db2.gz FAGCIVMMLHVJON-ZDUSSCGKSA-N -1 3 358.402 0.303 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]CCS(=O)(=O)C(C)C ZINC000289264782 489053679 /nfs/dbraw/zinc/05/36/79/489053679.db2.gz AOZQOVSLXIMLTE-UHFFFAOYSA-N -1 3 367.445 0.785 10 0 FCAEHM COCC[C@@H](CO)[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000281124672 489055082 /nfs/dbraw/zinc/05/50/82/489055082.db2.gz ASNZQINTLJDLCQ-JTQLQIEISA-N -1 3 351.808 0.802 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCCC[C@H]2c2ccnn2C)c1 ZINC000281214980 489060791 /nfs/dbraw/zinc/06/07/91/489060791.db2.gz BKPNMGJRYISZBW-ZDUSSCGKSA-N -1 3 366.447 0.186 10 0 FCAEHM COCCN1CC[C@H]([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)C1 ZINC000289956253 489105585 /nfs/dbraw/zinc/10/55/85/489105585.db2.gz SSJQAMWFAVCKDK-LBPRGKRZSA-N -1 3 360.432 0.682 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)CCCO)cc1F ZINC000281829616 489109359 /nfs/dbraw/zinc/10/93/59/489109359.db2.gz FCTZKYSYTRRYMD-UHFFFAOYSA-N -1 3 354.425 0.590 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)c2cnc3c(c2)NC(=O)CS3)nc1=N ZINC000563269487 491234360 /nfs/dbraw/zinc/23/43/60/491234360.db2.gz VASMWLBBFYRWFQ-SNVBAGLBSA-N -1 3 359.415 0.644 10 0 FCAEHM Cc1cc(F)ccc1-n1cc(C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)nn1 ZINC000366083072 489142615 /nfs/dbraw/zinc/14/26/15/489142615.db2.gz JAVZZDHKRIOKBA-KRWDZBQOSA-N -1 3 372.360 0.529 10 0 FCAEHM COc1ccc(NC(=O)CN2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1OC ZINC000366123183 489148119 /nfs/dbraw/zinc/14/81/19/489148119.db2.gz JNGQLVURQBLBRQ-KRWDZBQOSA-N -1 3 362.386 0.316 10 0 FCAEHM COC(=O)CCS(=O)(=O)[N-]c1ccc(F)c(S(=O)(=O)N(C)C)c1 ZINC000290567208 489150201 /nfs/dbraw/zinc/15/02/01/489150201.db2.gz STRXZDZZBDABAB-UHFFFAOYSA-N -1 3 368.408 0.381 10 0 FCAEHM CN(C)c1noc(C[N-]S(=O)(=O)C2CN(C(=O)c3ccccc3)C2)n1 ZINC000366163996 489153055 /nfs/dbraw/zinc/15/30/55/489153055.db2.gz ORKOFEVDNAPFPF-UHFFFAOYSA-N -1 3 365.415 0.080 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCC1([S@](C)=O)CC1 ZINC000282348643 489156226 /nfs/dbraw/zinc/15/62/26/489156226.db2.gz XZBZGPAZJNIBJJ-MGUXCZDKSA-N -1 3 362.448 0.520 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C(=O)OC(C)(C)C)C2)cn1 ZINC000330990288 489163469 /nfs/dbraw/zinc/16/34/69/489163469.db2.gz HDBMCSBCEGWFQL-GFCCVEGCSA-N -1 3 369.443 0.794 10 0 FCAEHM CC(C)(C)OC(=O)N1CCC2(C[C@H]2NC(=O)CN2CC(=O)[N-]C2=O)CC1 ZINC000366423681 489179664 /nfs/dbraw/zinc/17/96/64/489179664.db2.gz WDXMDCOIVPLSNT-LLVKDONJSA-N -1 3 366.418 0.444 10 0 FCAEHM CC(=O)N(CCc1ccccc1)CC(=O)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000297736801 489232893 /nfs/dbraw/zinc/23/28/93/489232893.db2.gz MWNQSIPIGMTIEZ-UHFFFAOYSA-N -1 3 370.413 0.727 10 0 FCAEHM CC(=O)N(CCc1ccccc1)CC(=O)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000297736801 489232895 /nfs/dbraw/zinc/23/28/95/489232895.db2.gz MWNQSIPIGMTIEZ-UHFFFAOYSA-N -1 3 370.413 0.727 10 0 FCAEHM CC(=O)N(CCc1ccccc1)CC(=O)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000297736801 489232898 /nfs/dbraw/zinc/23/28/98/489232898.db2.gz MWNQSIPIGMTIEZ-UHFFFAOYSA-N -1 3 370.413 0.727 10 0 FCAEHM Cc1cc(C(F)(F)F)nn1CC(=O)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000297744039 489234015 /nfs/dbraw/zinc/23/40/15/489234015.db2.gz NPVBBPCGDLNUDE-UHFFFAOYSA-N -1 3 357.296 0.859 10 0 FCAEHM Cc1cc(C(F)(F)F)nn1CC(=O)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000297744039 489234016 /nfs/dbraw/zinc/23/40/16/489234016.db2.gz NPVBBPCGDLNUDE-UHFFFAOYSA-N -1 3 357.296 0.859 10 0 FCAEHM Cc1cc(C(F)(F)F)nn1CC(=O)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000297744039 489234021 /nfs/dbraw/zinc/23/40/21/489234021.db2.gz NPVBBPCGDLNUDE-UHFFFAOYSA-N -1 3 357.296 0.859 10 0 FCAEHM C[C@]1(C(=O)Nc2[n-]nnc2C(=O)NC2CC2)Cc2ccccc2C(=O)O1 ZINC000297864461 489254178 /nfs/dbraw/zinc/25/41/78/489254178.db2.gz YZRURJOTXHDDGR-QGZVFWFLSA-N -1 3 355.354 0.807 10 0 FCAEHM C[C@]1(C(=O)Nc2nn[n-]c2C(=O)NC2CC2)Cc2ccccc2C(=O)O1 ZINC000297864461 489254181 /nfs/dbraw/zinc/25/41/81/489254181.db2.gz YZRURJOTXHDDGR-QGZVFWFLSA-N -1 3 355.354 0.807 10 0 FCAEHM C[C@]1(C(=O)Nc2n[n-]nc2C(=O)NC2CC2)Cc2ccccc2C(=O)O1 ZINC000297864461 489254185 /nfs/dbraw/zinc/25/41/85/489254185.db2.gz YZRURJOTXHDDGR-QGZVFWFLSA-N -1 3 355.354 0.807 10 0 FCAEHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H](CO)c1ccnn1C ZINC000563435343 491245259 /nfs/dbraw/zinc/24/52/59/491245259.db2.gz JOOTZFQTAISRLS-SECBINFHSA-N -1 3 359.429 0.589 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)N1CCO[C@@H](C2CC2)C1 ZINC000369962618 489297892 /nfs/dbraw/zinc/29/78/92/489297892.db2.gz OCDKLOVWYMEVRC-GFCCVEGCSA-N -1 3 359.473 0.847 10 0 FCAEHM Cn1ccc(NC(=O)C[N-]S(=O)(=O)Cc2ccc(C(F)F)cc2)n1 ZINC000555343507 491247074 /nfs/dbraw/zinc/24/70/74/491247074.db2.gz YKDMTFAZJIPKTH-UHFFFAOYSA-N -1 3 358.370 1.416 10 0 FCAEHM CN1C(=O)N[C@]2(CCC[C@@H]2C[N-]S(=O)(=O)c2ccccc2F)C1=O ZINC000370024974 489304640 /nfs/dbraw/zinc/30/46/40/489304640.db2.gz GWMSXZCZKCSIDQ-BMIGLBTASA-N -1 3 355.391 0.825 10 0 FCAEHM COCC[C@](C)(O)CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000370046566 489309896 /nfs/dbraw/zinc/30/98/96/489309896.db2.gz KTEXRAFXOWOKFN-KDOFPFPSSA-N -1 3 350.415 0.901 10 0 FCAEHM Cc1n[nH]c(C)c1[N-]S(=O)(=O)CCCS(=O)(=O)NCC1(C)CC1 ZINC000349558553 489314881 /nfs/dbraw/zinc/31/48/81/489314881.db2.gz SADDLDFVWLZQOB-UHFFFAOYSA-N -1 3 364.493 0.878 10 0 FCAEHM O=S(=O)(CCCCS(=O)(=O)N1CC[C@H]1C1CC1)[N-]c1ccnnc1 ZINC000349602832 489325471 /nfs/dbraw/zinc/32/54/71/489325471.db2.gz AQAJQVUVDKYHGW-AWEZNQCLSA-N -1 3 374.488 0.813 10 0 FCAEHM O=S(=O)(CCCCS(=O)(=O)N1CC[C@H]1C1CC1)[N-]c1cn[nH]c1 ZINC000349605844 489326121 /nfs/dbraw/zinc/32/61/21/489326121.db2.gz HXIBJRKTWFCULL-ZDUSSCGKSA-N -1 3 362.477 0.746 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2cn[nH]c2)[C@H]1C ZINC000349605221 489326445 /nfs/dbraw/zinc/32/64/45/489326445.db2.gz GOAMOYLGSHIQEP-MNOVXSKESA-N -1 3 350.466 0.602 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]Cc2nc([C@@H]3CCOC[C@H]3C)no2)cn1C ZINC000350592412 489342108 /nfs/dbraw/zinc/34/21/08/489342108.db2.gz HKUITYJCQDSWRQ-MWLCHTKSSA-N -1 3 355.420 0.730 10 0 FCAEHM O=C(Cc1noc(C[C@@H]2NC(=O)[N-]C2=O)n1)Nc1ccc(F)c(Cl)c1 ZINC000350737725 489346940 /nfs/dbraw/zinc/34/69/40/489346940.db2.gz UMDRYYBPFPXGMI-VIFPVBQESA-N -1 3 367.724 0.794 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](OC)C[C@H]2CN2CCCC2)co1 ZINC000286453689 489392706 /nfs/dbraw/zinc/39/27/06/489392706.db2.gz QXXJHSGVVHNEFY-KBPBESRZSA-N -1 3 371.459 0.513 10 0 FCAEHM COC(=O)[C@H](CF)[N-]S(=O)(=O)c1c(OC)cc(OC)cc1OC ZINC000286494758 489396995 /nfs/dbraw/zinc/39/69/95/489396995.db2.gz AKYSZCVESRQZHX-VIFPVBQESA-N -1 3 351.352 0.502 10 0 FCAEHM COC(=O)[C@@H]1CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000299037492 489398571 /nfs/dbraw/zinc/39/85/71/489398571.db2.gz TYTCADOSEHJYEH-WDEREUQCSA-N -1 3 358.391 0.514 10 0 FCAEHM C[C@H]1Oc2c(cccc2C(=O)N2CCC[C@H]2c2nc(=N)n(C)[n-]2)NC1=O ZINC000555532421 491252797 /nfs/dbraw/zinc/25/27/97/491252797.db2.gz RTYPIRCPOPBQBV-SKDRFNHKSA-N -1 3 356.386 0.924 10 0 FCAEHM COc1cccc(-c2nc(=NC(=O)N3CCN(C)C[C@@H]3CN)s[n-]2)c1 ZINC000570616033 491253456 /nfs/dbraw/zinc/25/34/56/491253456.db2.gz JOXBVCWBNGOHFI-LBPRGKRZSA-N -1 3 362.459 0.742 10 0 FCAEHM O=C(CS[C@H]1CCS(=O)(=O)C1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000299331048 489432465 /nfs/dbraw/zinc/43/24/65/489432465.db2.gz GKTXAFBQZDHKDR-LBPRGKRZSA-N -1 3 367.456 0.403 10 0 FCAEHM O=C(CS[C@H]1CCS(=O)(=O)C1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000299331048 489432467 /nfs/dbraw/zinc/43/24/67/489432467.db2.gz GKTXAFBQZDHKDR-LBPRGKRZSA-N -1 3 367.456 0.403 10 0 FCAEHM CC1(C)NC(=O)N(CCCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000299371538 489435728 /nfs/dbraw/zinc/43/57/28/489435728.db2.gz UUGJCDIYHRVLTG-UHFFFAOYSA-N -1 3 371.401 0.594 10 0 FCAEHM CC1(C)NC(=O)N(CCCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000299371538 489435732 /nfs/dbraw/zinc/43/57/32/489435732.db2.gz UUGJCDIYHRVLTG-UHFFFAOYSA-N -1 3 371.401 0.594 10 0 FCAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@H]1CCC(=O)N(C)C1 ZINC000451213682 489493040 /nfs/dbraw/zinc/49/30/40/489493040.db2.gz AVPFWMLRGKESIF-DTWKUNHWSA-N -1 3 360.354 0.411 10 0 FCAEHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000363437836 489466946 /nfs/dbraw/zinc/46/69/46/489466946.db2.gz YACGWKCQRNKUPO-UFGOTCBOSA-N -1 3 370.402 0.900 10 0 FCAEHM COc1ccc2c(c1)C=C(S(=O)(=O)[N-][C@H]1CC(=O)N(C)C1=O)CC2 ZINC000287171445 489467324 /nfs/dbraw/zinc/46/73/24/489467324.db2.gz COLRSNGALSRTPN-AWEZNQCLSA-N -1 3 350.396 0.659 10 0 FCAEHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CC[C@@H](C(=O)OC)C1 ZINC000287265770 489473839 /nfs/dbraw/zinc/47/38/39/489473839.db2.gz ABCRDOWHMUJFSI-SECBINFHSA-N -1 3 354.384 0.803 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)NCCCN2CCCC2=O)ccc1F ZINC000287277643 489474872 /nfs/dbraw/zinc/47/48/72/489474872.db2.gz RHGJYIMHEYSAOK-UHFFFAOYSA-N -1 3 372.422 0.868 10 0 FCAEHM C[C@@H](NC(=O)CCc1ccccc1)C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000570663287 491256055 /nfs/dbraw/zinc/25/60/55/491256055.db2.gz WXPKZVFSJFOFNJ-BFUOFWGJSA-N -1 3 372.425 0.325 10 0 FCAEHM C[C@H](C[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)Cn1ccnc1 ZINC000414472937 489500998 /nfs/dbraw/zinc/50/09/98/489500998.db2.gz UQMLRNHVSNSCQB-GFCCVEGCSA-N -1 3 357.457 0.901 10 0 FCAEHM CCOc1ccncc1S(=O)(=O)[N-][C@@H]1CCOC[C@@H]1OCCOC ZINC000451431919 489503941 /nfs/dbraw/zinc/50/39/41/489503941.db2.gz ZBSPAUOGOQMIIQ-OCCSQVGLSA-N -1 3 360.432 0.579 10 0 FCAEHM COC(=O)c1csc(S(=O)(=O)[N-]C[C@H]2CCCCN2CCO)c1 ZINC000451671659 489517005 /nfs/dbraw/zinc/51/70/05/489517005.db2.gz QOEKRRDCVXTBTI-GFCCVEGCSA-N -1 3 362.473 0.660 10 0 FCAEHM COC(=O)c1nscc1S(=O)(=O)[N-]C[C@@H]1CCCCN1CCO ZINC000451674911 489517649 /nfs/dbraw/zinc/51/76/49/489517649.db2.gz ZEZPZQNOSZPHBM-JTQLQIEISA-N -1 3 363.461 0.055 10 0 FCAEHM CN1C(=O)CC[C@H]([N-]S(=O)(=O)c2cnccc2C(F)(F)F)C1=O ZINC000425219560 489518619 /nfs/dbraw/zinc/51/86/19/489518619.db2.gz HCDPTJNHBYRWKD-QMMMGPOBSA-N -1 3 351.306 0.526 10 0 FCAEHM CC[C@H]([N-]S(=O)(=O)C1CN(C(=O)c2ccccc2)C1)[C@H](O)C(F)F ZINC000451718381 489519488 /nfs/dbraw/zinc/51/94/88/489519488.db2.gz URPAYOVDTWYGQR-STQMWFEESA-N -1 3 362.398 0.835 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N1CCN2CCOC[C@@H]2C1 ZINC000371868556 489520516 /nfs/dbraw/zinc/52/05/16/489520516.db2.gz BAPLQGATXKZPNM-ZDUSSCGKSA-N -1 3 358.398 0.035 10 0 FCAEHM C[C@@H](C(=O)Nc1cc(-c2nccn2C)[n-]n1)N1C(=O)NC2(CCCC2)C1=O ZINC000372085808 489543085 /nfs/dbraw/zinc/54/30/85/489543085.db2.gz ANKHWNNTHMCNJZ-JTQLQIEISA-N -1 3 371.401 1.002 10 0 FCAEHM C[C@@H](C(=O)Nc1cc(-c2nccn2C)n[n-]1)N1C(=O)NC2(CCCC2)C1=O ZINC000372085808 489543088 /nfs/dbraw/zinc/54/30/88/489543088.db2.gz ANKHWNNTHMCNJZ-JTQLQIEISA-N -1 3 371.401 1.002 10 0 FCAEHM CNS(=O)(=O)[C@H]1CCN(C(=O)c2c[n-]c3cc(OC)ccc3c2=O)C1 ZINC000372157945 489553511 /nfs/dbraw/zinc/55/35/11/489553511.db2.gz RLXGYHSOWSXDFS-NSHDSACASA-N -1 3 365.411 0.300 10 0 FCAEHM C[C@H]1CN(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)[C@@H](C)CN1CCO ZINC000416288679 489577270 /nfs/dbraw/zinc/57/72/70/489577270.db2.gz DIRLTTSYJSQDQY-RYUDHWBXSA-N -1 3 373.450 0.724 10 0 FCAEHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C)C(=O)OC ZINC000416367381 489585106 /nfs/dbraw/zinc/58/51/06/489585106.db2.gz DFYHHZCLMAOGOI-VHSXEESVSA-N -1 3 359.404 0.163 10 0 FCAEHM O=C(CNC(=O)c1cccc([O-])c1)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000427011025 489590937 /nfs/dbraw/zinc/59/09/37/489590937.db2.gz BDHKQCKWXGGBBX-OAHLLOKOSA-N -1 3 359.426 0.983 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)NCC[C@@](C)(O)COC)ccc1F ZINC000455397914 489591252 /nfs/dbraw/zinc/59/12/52/489591252.db2.gz DEBNKFFGJGTORC-CQSZACIVSA-N -1 3 363.411 0.643 10 0 FCAEHM C[C@@H]1C[C@@H]1N1C[C@@H]([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)CC1=O ZINC000416417982 489591392 /nfs/dbraw/zinc/59/13/92/489591392.db2.gz ZIYTXWLAOMGPTL-FYBVGQRMSA-N -1 3 369.374 0.548 10 0 FCAEHM CCNC(=O)N1CC[C@H]([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)C1 ZINC000416427437 489591743 /nfs/dbraw/zinc/59/17/43/489591743.db2.gz MNZPUBZIOLWWLG-QMMMGPOBSA-N -1 3 372.378 0.342 10 0 FCAEHM Cc1noc(CN2CCN(C(=O)CNC(=O)c3cccc([O-])c3)CC2)n1 ZINC000427098244 489594480 /nfs/dbraw/zinc/59/44/80/489594480.db2.gz BHHOKCNSIJIEED-UHFFFAOYSA-N -1 3 359.386 0.158 10 0 FCAEHM CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)[N-][C@H](CF)C(=O)OC)c1 ZINC000416490064 489600537 /nfs/dbraw/zinc/60/05/37/489600537.db2.gz UGFRBJGGWVWCDS-SNVBAGLBSA-N -1 3 366.798 0.797 10 0 FCAEHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-][C@H](CF)C(=O)OC ZINC000416487568 489600619 /nfs/dbraw/zinc/60/06/19/489600619.db2.gz LTVXNKGNDDBMPV-MRVPVSSYSA-N -1 3 353.755 0.916 10 0 FCAEHM COC(=O)c1ncccc1[N-]C(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000427341910 489603825 /nfs/dbraw/zinc/60/38/25/489603825.db2.gz JDDGVCPFELAERY-UHFFFAOYSA-N -1 3 353.356 0.964 10 0 FCAEHM Cn1nccc1[C@H](CO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000416545889 489608070 /nfs/dbraw/zinc/60/80/70/489608070.db2.gz IYSYQCBJMGKVTP-VIFPVBQESA-N -1 3 350.322 0.846 10 0 FCAEHM O=S(=O)([N-]C[C@@H](O)Cn1ccnn1)c1ccc(C(F)(F)F)s1 ZINC000416541864 489608159 /nfs/dbraw/zinc/60/81/59/489608159.db2.gz BRLRRPGBWMZTTJ-SSDOTTSWSA-N -1 3 356.351 0.698 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](O)Cn2ccnn2)c(Cl)c1 ZINC000416553058 489609264 /nfs/dbraw/zinc/60/92/64/489609264.db2.gz CFEMUUWYFNWOIV-JTQLQIEISA-N -1 3 374.806 0.058 10 0 FCAEHM COc1ccccc1C(=O)NCC(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1 ZINC000570807290 491266167 /nfs/dbraw/zinc/26/61/67/491266167.db2.gz QFZKLYLBKMIBKB-LBPRGKRZSA-N -1 3 358.402 0.330 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCC[C@@]2(CCOC2)C1 ZINC000456734254 489623141 /nfs/dbraw/zinc/62/31/41/489623141.db2.gz RUXBXNRSJYLBGB-CQSZACIVSA-N -1 3 372.219 0.741 10 0 FCAEHM CNC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@H]2C[C@@](C)(O)C2)c1OC ZINC000416669623 489625483 /nfs/dbraw/zinc/62/54/83/489625483.db2.gz RZVVPZNLYLCXDA-DEZZCRIOSA-N -1 3 362.835 0.900 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN[C@@H](c3ccccc3)C2)cn1 ZINC000457030752 489633068 /nfs/dbraw/zinc/63/30/68/489633068.db2.gz RUKGTTIZVWONGJ-OAHLLOKOSA-N -1 3 360.439 0.776 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)Nc2nc3cc(F)ccc3[nH]2)cn1C ZINC000428049915 489634915 /nfs/dbraw/zinc/63/49/15/489634915.db2.gz QIEUNAKEVFNPRC-UHFFFAOYSA-N -1 3 366.378 0.661 10 0 FCAEHM CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000372799356 489637641 /nfs/dbraw/zinc/63/76/41/489637641.db2.gz HSPAXOVRIVMJTA-RYUDHWBXSA-N -1 3 360.366 0.753 10 0 FCAEHM CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000372799351 489637694 /nfs/dbraw/zinc/63/76/94/489637694.db2.gz HSPAXOVRIVMJTA-NWDGAFQWSA-N -1 3 360.366 0.753 10 0 FCAEHM CCOC(=O)C[C@H]1C[C@@H](OC)CN1C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000372799358 489637749 /nfs/dbraw/zinc/63/77/49/489637749.db2.gz HSPAXOVRIVMJTA-VXGBXAGGSA-N -1 3 360.366 0.753 10 0 FCAEHM C[C@@H]1C[C@H](S(=O)(=O)[N-]C[C@H](N2CCOCC2)C(F)(F)F)CCO1 ZINC000428189632 489641187 /nfs/dbraw/zinc/64/11/87/489641187.db2.gz PCXJZAFHAFTPDZ-UTUOFQBUSA-N -1 3 360.398 0.736 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccc(F)c(F)c1)NCC1(CCO)CC1 ZINC000428843536 489666346 /nfs/dbraw/zinc/66/63/46/489666346.db2.gz WIAPCUAXRSEKDN-UHFFFAOYSA-N -1 3 362.398 0.912 10 0 FCAEHM Cn1ccc(NC(=O)C[N-]S(=O)(=O)Cc2cccc3cccnc32)n1 ZINC000429340771 489683391 /nfs/dbraw/zinc/68/33/91/489683391.db2.gz WNHWIZDYHUOMNE-UHFFFAOYSA-N -1 3 359.411 1.026 10 0 FCAEHM COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)Cn1cncn1 ZINC000469276982 489699150 /nfs/dbraw/zinc/69/91/50/489699150.db2.gz WHJDINKAXMKELA-NSHDSACASA-N -1 3 358.395 0.809 10 0 FCAEHM O=C([N-]c1cnns1)C(=O)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000430066103 489718593 /nfs/dbraw/zinc/71/85/93/489718593.db2.gz OFFXTNYYMIILIC-UHFFFAOYSA-N -1 3 371.373 0.413 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-]Cc2cc(C(N)=O)co2)CCCCC1 ZINC000489629802 489721765 /nfs/dbraw/zinc/72/17/65/489721765.db2.gz KXVYVJNMNGOOHL-UHFFFAOYSA-N -1 3 358.416 0.921 10 0 FCAEHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N1C[C@@H](C(N)=O)CC[C@H]1C ZINC000430236779 489726570 /nfs/dbraw/zinc/72/65/70/489726570.db2.gz HNCGHMBMKPKXGH-BDAKNGLRSA-N -1 3 353.400 0.586 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCCCC[C@H]2C(N)=O)cn1 ZINC000474262324 489749564 /nfs/dbraw/zinc/74/95/64/489749564.db2.gz AOKHELPFUGAGGA-NEPJUHHUSA-N -1 3 354.432 0.154 10 0 FCAEHM Cc1ccc(CNC(=O)C[C@@H]2NC(=O)[N-]C2=O)c(OC[C@@H]2CCOC2)c1 ZINC000490212359 489754669 /nfs/dbraw/zinc/75/46/69/489754669.db2.gz WTANCRXXNMTMSG-OCCSQVGLSA-N -1 3 361.398 0.625 10 0 FCAEHM Cc1ccc(CNC(=O)C[C@@H]2NC(=O)[N-]C2=O)c(OC[C@@H]2CCCO2)c1 ZINC000490436610 489766787 /nfs/dbraw/zinc/76/67/87/489766787.db2.gz VQEADVRSEQZLCQ-KBPBESRZSA-N -1 3 361.398 0.767 10 0 FCAEHM CCOC(=O)c1sc([C@@H](C)NC(=O)C[C@@H]2NC(=O)[N-]C2=O)nc1C ZINC000490432180 489767133 /nfs/dbraw/zinc/76/71/33/489767133.db2.gz QECMFKDGQYPVTK-SFYZADRCSA-N -1 3 354.388 0.404 10 0 FCAEHM COc1nnc(NC(=O)c2ccc(S(=O)(=O)N=c3cc[nH]cc3)cc2)[n-]1 ZINC000490719874 489781646 /nfs/dbraw/zinc/78/16/46/489781646.db2.gz ODYBNTBALASSSK-UHFFFAOYSA-N -1 3 374.382 0.683 10 0 FCAEHM COc1nc(NC(=O)c2ccc(S(=O)(=O)N=c3cc[nH]cc3)cc2)n[n-]1 ZINC000490719874 489781648 /nfs/dbraw/zinc/78/16/48/489781648.db2.gz ODYBNTBALASSSK-UHFFFAOYSA-N -1 3 374.382 0.683 10 0 FCAEHM COc1n[n-]c(NC(=O)c2ccc(S(=O)(=O)N=c3cc[nH]cc3)cc2)n1 ZINC000490719874 489781651 /nfs/dbraw/zinc/78/16/51/489781651.db2.gz ODYBNTBALASSSK-UHFFFAOYSA-N -1 3 374.382 0.683 10 0 FCAEHM COc1nnc(NC(=O)CS(=O)(=O)c2ccc(C(C)=O)c(F)c2)[n-]1 ZINC000490734170 489781922 /nfs/dbraw/zinc/78/19/22/489781922.db2.gz OMLIREKDFPGTLS-UHFFFAOYSA-N -1 3 356.335 0.567 10 0 FCAEHM COc1nc(NC(=O)CS(=O)(=O)c2ccc(C(C)=O)c(F)c2)n[n-]1 ZINC000490734170 489781929 /nfs/dbraw/zinc/78/19/29/489781929.db2.gz OMLIREKDFPGTLS-UHFFFAOYSA-N -1 3 356.335 0.567 10 0 FCAEHM COc1n[n-]c(NC(=O)CS(=O)(=O)c2ccc(C(C)=O)c(F)c2)n1 ZINC000490734170 489781933 /nfs/dbraw/zinc/78/19/33/489781933.db2.gz OMLIREKDFPGTLS-UHFFFAOYSA-N -1 3 356.335 0.567 10 0 FCAEHM COc1ccc2c(c1)[n-]cc(C(=O)NCc1nnnn1CC1CC1)c2=O ZINC000474925893 489795320 /nfs/dbraw/zinc/79/53/20/489795320.db2.gz LWHNDYXFMUOUFG-UHFFFAOYSA-N -1 3 354.370 0.863 10 0 FCAEHM O=C1[N-]C(=O)N2CCN(C[C@@H](O)Cc3ccccc3C(F)(F)F)C[C@H]12 ZINC000492726976 489835775 /nfs/dbraw/zinc/83/57/75/489835775.db2.gz DSZJPSXHUQIFPM-WCQYABFASA-N -1 3 357.332 0.845 10 0 FCAEHM O=C1[N-]C(=O)N2CCN(C[C@@H](O)Cc3ccccc3C(F)(F)F)C[C@@H]12 ZINC000492726974 489836007 /nfs/dbraw/zinc/83/60/07/489836007.db2.gz DSZJPSXHUQIFPM-AAEUAGOBSA-N -1 3 357.332 0.845 10 0 FCAEHM CNC(=O)[C@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1c(C)cccc1F ZINC000475802631 489849317 /nfs/dbraw/zinc/84/93/17/489849317.db2.gz BVBMLSQNEDPDLG-GFCCVEGCSA-N -1 3 357.407 0.149 10 0 FCAEHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)[C@@H]1OC ZINC000460487632 489869038 /nfs/dbraw/zinc/86/90/38/489869038.db2.gz GICOIBIYIZOMLF-WDMOLILDSA-N -1 3 363.457 0.561 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)NCCC[C@@H]2CCCC[C@H]2O)cn1C ZINC000433273259 489875133 /nfs/dbraw/zinc/87/51/33/489875133.db2.gz RJZVOPHNNIKSDS-UONOGXRCSA-N -1 3 372.491 0.454 10 0 FCAEHM CNC(=O)[C@@H]1CN(C(=O)Cc2ccc(Br)cc2[O-])CCO1 ZINC000433363053 489879119 /nfs/dbraw/zinc/87/91/19/489879119.db2.gz KQSLRYKKDKIVRZ-LBPRGKRZSA-N -1 3 357.204 0.671 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC2(C1)CCCOC2 ZINC000377314605 489883368 /nfs/dbraw/zinc/88/33/68/489883368.db2.gz OLWGSJHPHUSSAE-UHFFFAOYSA-N -1 3 360.457 0.396 10 0 FCAEHM COC(=O)c1cccc(CS(=O)(=O)[N-]Cc2cc(C(N)=O)co2)c1 ZINC000494338729 489884546 /nfs/dbraw/zinc/88/45/46/489884546.db2.gz LDKWBXIGESVRCD-UHFFFAOYSA-N -1 3 352.368 0.785 10 0 FCAEHM COCc1ccccc1S(=O)(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000433447329 489884613 /nfs/dbraw/zinc/88/46/13/489884613.db2.gz MSOOXZLNWOOHIC-OAHLLOKOSA-N -1 3 353.400 0.196 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CC([C@H]2CCOC2)C1 ZINC000377410305 489899534 /nfs/dbraw/zinc/89/95/34/489899534.db2.gz DWBAAZLWIVVDNE-RYUDHWBXSA-N -1 3 356.419 0.987 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N1CCSC[C@H]1CCO ZINC000494911890 489920481 /nfs/dbraw/zinc/92/04/81/489920481.db2.gz UYUYKGQGNOKXTG-GFCCVEGCSA-N -1 3 363.439 0.819 10 0 FCAEHM CCN(CC)S(=O)(=O)CC(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000461611464 489920930 /nfs/dbraw/zinc/92/09/30/489920930.db2.gz SPVYOQWSGQYRHF-UHFFFAOYSA-N -1 3 370.431 0.193 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)c3ccnc(-n4cncn4)c3)cc2n(C)c1=O ZINC000461614095 489922290 /nfs/dbraw/zinc/92/22/90/489922290.db2.gz ODYBFOVMTCTFHQ-UHFFFAOYSA-N -1 3 365.353 0.811 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccc(F)c(F)c1)NC[C@H](CO)C1CC1 ZINC000461625111 489922956 /nfs/dbraw/zinc/92/29/56/489922956.db2.gz GFAMCSHQCIDODQ-LLVKDONJSA-N -1 3 362.398 0.768 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccc(F)c(F)c1)NC[C@@H](CO)C1CC1 ZINC000461625118 489923023 /nfs/dbraw/zinc/92/30/23/489923023.db2.gz GFAMCSHQCIDODQ-NSHDSACASA-N -1 3 362.398 0.768 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)CNC(=O)Cc3ccccc3)cc2n(C)c1=O ZINC000461631654 489924046 /nfs/dbraw/zinc/92/40/46/489924046.db2.gz NNNXZFZTPKOICF-UHFFFAOYSA-N -1 3 368.393 0.880 10 0 FCAEHM COC(=O)C1CCN(C(=O)[C@H](C)N2CCC(c3n[nH]c(=O)[n-]3)CC2)CC1 ZINC000377601037 489929202 /nfs/dbraw/zinc/92/92/02/489929202.db2.gz JVZHSTVNBFRVBU-NSHDSACASA-N -1 3 365.434 0.490 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2c3c(nn2C)CCCC3)cn1 ZINC000462357126 489971440 /nfs/dbraw/zinc/97/14/40/489971440.db2.gz AMLCVQRBIUJMLP-UHFFFAOYSA-N -1 3 363.443 0.532 10 0 FCAEHM COc1ccc2c(c1)OC[C@H]2CC(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000556082094 491292665 /nfs/dbraw/zinc/29/26/65/491292665.db2.gz PYMLUKMKUHWRGX-ZMZPIMSZSA-N -1 3 359.382 0.762 10 0 FCAEHM CCCn1c(=O)[n-]nc1S(=O)(=O)Cc1nc(CC(F)(F)F)no1 ZINC000462968217 489998324 /nfs/dbraw/zinc/99/83/24/489998324.db2.gz PLIJXBCEBWTFOI-UHFFFAOYSA-N -1 3 355.298 0.855 10 0 FCAEHM COc1ccc(NC(=O)c2cc(=O)[n-]c(N(C)C)n2)cc1-n1nnnc1C ZINC000463315098 490009092 /nfs/dbraw/zinc/00/90/92/490009092.db2.gz DSZQBJVDWVTMPK-UHFFFAOYSA-N -1 3 370.373 0.793 10 0 FCAEHM COC(=O)c1cnc(C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)cn1 ZINC000436618972 490009629 /nfs/dbraw/zinc/00/96/29/490009629.db2.gz NGIRTFDTVPBTNT-UHFFFAOYSA-N -1 3 357.326 0.412 10 0 FCAEHM CCOC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436743740 490011991 /nfs/dbraw/zinc/01/19/91/490011991.db2.gz ZXYLASXDPVZXHI-STQMWFEESA-N -1 3 350.371 0.037 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000378113716 490012006 /nfs/dbraw/zinc/01/20/06/490012006.db2.gz JSCOQEMXBCZMEM-CMPLNLGQSA-N -1 3 366.418 0.889 10 0 FCAEHM CCOC(=O)[C@](C)(O)CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436820414 490014079 /nfs/dbraw/zinc/01/40/79/490014079.db2.gz LMKQLDOHUPHVGQ-FZKQIMNGSA-N -1 3 364.398 0.427 10 0 FCAEHM CS(=O)(=O)CCCS(=O)(=O)[N-]CC(=O)c1ccccc1Cl ZINC000464189674 490044016 /nfs/dbraw/zinc/04/40/16/490044016.db2.gz YPTLDDUCPZDYOG-UHFFFAOYSA-N -1 3 353.849 0.877 10 0 FCAEHM O=C(CN1CCC[C@@H](C(=O)N2CCOCC2)C1)[N-]OCc1ccccc1 ZINC000378340395 490052192 /nfs/dbraw/zinc/05/21/92/490052192.db2.gz GLWJEOWEIXVPGD-QGZVFWFLSA-N -1 3 361.442 0.805 10 0 FCAEHM CNC(=O)c1cc(S(=O)(=O)[N-][C@@](C)(COC)C(F)(F)F)cn1C ZINC000479142383 490070106 /nfs/dbraw/zinc/07/01/06/490070106.db2.gz QDQDSJHZQZXDJE-NSHDSACASA-N -1 3 357.354 0.630 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)N2C[C@@H](O)CC[C@@H]2C)ccc1F ZINC000421309603 490072359 /nfs/dbraw/zinc/07/23/59/490072359.db2.gz OMFQICDIJUAEEH-ONGXEEELSA-N -1 3 373.406 0.044 10 0 FCAEHM COC(=O)C(C)(C)CNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000465111443 490083449 /nfs/dbraw/zinc/08/34/49/490083449.db2.gz NMFFJMNLUGNWEY-JTQLQIEISA-N -1 3 360.407 0.808 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-][C@@H](C)Cn2ncc3ccccc3c2=O)c1 ZINC000479525620 490101073 /nfs/dbraw/zinc/10/10/73/490101073.db2.gz ICEDCLUXYUQHMU-LBPRGKRZSA-N -1 3 361.427 0.980 10 0 FCAEHM C[C@@H]1CN(C(=O)CC[N-]S(=O)(=O)c2ccccc2F)CC(=O)N1C ZINC000506525481 490101607 /nfs/dbraw/zinc/10/16/07/490101607.db2.gz QSTIVNXRONFXHB-LLVKDONJSA-N -1 3 357.407 0.183 10 0 FCAEHM O=C1[N-]C(=O)N2CCN(S(=O)(=O)N3CCC4(CCCCC4)CC3)C[C@@H]12 ZINC000545365641 490124125 /nfs/dbraw/zinc/12/41/25/490124125.db2.gz IOEOGLOVMUKPHW-ZDUSSCGKSA-N -1 3 370.475 0.514 10 0 FCAEHM COc1cc(C(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)cc(OC)c1[O-] ZINC000506688756 490127296 /nfs/dbraw/zinc/12/72/96/490127296.db2.gz OQOHXWYLBPJVJK-JQWIXIFHSA-N -1 3 372.443 0.857 10 0 FCAEHM CN1CC[C@H](NC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)[C@H]1c1ccccc1 ZINC000545434393 490135676 /nfs/dbraw/zinc/13/56/76/490135676.db2.gz MESFMBANARVCID-RRFJBIMHSA-N -1 3 357.414 0.377 10 0 FCAEHM COC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl)C(=O)OC ZINC000479950235 490141777 /nfs/dbraw/zinc/14/17/77/490141777.db2.gz QHAMWMJNKMPTFY-JTQLQIEISA-N -1 3 365.791 0.593 10 0 FCAEHM NC(=O)C[C@H]1CCCCN1C(=O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000497310626 490143894 /nfs/dbraw/zinc/14/38/94/490143894.db2.gz DDMMTXABCPDFRZ-GFCCVEGCSA-N -1 3 371.434 0.751 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2[C@@H]2CNC(=O)C2)c(C)o1 ZINC000497364961 490154321 /nfs/dbraw/zinc/15/43/21/490154321.db2.gz LTUNKOAXUGXODL-AAEUAGOBSA-N -1 3 369.443 0.627 10 0 FCAEHM O=C(c1ccc([O-])cc1)N1CCN(C[C@H](O)COC[C@@H]2CCCO2)CC1 ZINC000533035755 490161582 /nfs/dbraw/zinc/16/15/82/490161582.db2.gz ZVFBJYSNESGJNC-ROUUACIJSA-N -1 3 364.442 0.707 10 0 FCAEHM COCC[C@@](C)(O)CNC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000480234890 490174077 /nfs/dbraw/zinc/17/40/77/490174077.db2.gz WTICSRQRLHHSLC-LJQANCHMSA-N -1 3 374.441 0.977 10 0 FCAEHM C[C@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])S(C)(=O)=O ZINC000533161972 490188433 /nfs/dbraw/zinc/18/84/33/490188433.db2.gz ZIHVGXLVFVFNNO-YPMHNXCESA-N -1 3 354.428 0.546 10 0 FCAEHM CN(Cc1nnnn1C)Cc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000466474749 490189199 /nfs/dbraw/zinc/18/91/99/490189199.db2.gz QTWNMOMLOMVQJY-UHFFFAOYSA-N -1 3 351.374 0.677 10 0 FCAEHM COC[C@H](NC(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1)c1ccc(F)cc1 ZINC000546142876 490196835 /nfs/dbraw/zinc/19/68/35/490196835.db2.gz PSDXXQMVBJWUQV-QWHCGFSZSA-N -1 3 350.350 0.459 10 0 FCAEHM C[C@@H]1CCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C[C@@H]1C(=O)[O-] ZINC000571438775 491308049 /nfs/dbraw/zinc/30/80/49/491308049.db2.gz FIPYDSZPAXUEDO-QLFBSQMISA-N -1 3 368.478 0.681 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[C@H]2O)c(C)o1 ZINC000408052790 490230952 /nfs/dbraw/zinc/23/09/52/490230952.db2.gz RFJYYIUWFVLHKO-MRVWCRGKSA-N -1 3 372.443 0.498 10 0 FCAEHM Cn1ccc(CNS(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)n1 ZINC000497948466 490237424 /nfs/dbraw/zinc/23/74/24/490237424.db2.gz FQGMMERRFPXPPB-UHFFFAOYSA-N -1 3 362.408 0.409 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCN(C[C@H](O)COC[C@@H]2CCCO2)CC1 ZINC000533525940 490247701 /nfs/dbraw/zinc/24/77/01/490247701.db2.gz HTJNXMUBKPWLSF-HOTGVXAUSA-N -1 3 364.442 0.707 10 0 FCAEHM CN1CCN(Cc2ccc(C(=O)N3CCC[C@@H](c4nnn[n-]4)C3)cc2)CC1 ZINC000533572992 490258061 /nfs/dbraw/zinc/25/80/61/490258061.db2.gz PMQPZVWMQPDUFB-QGZVFWFLSA-N -1 3 369.473 0.967 10 0 FCAEHM CN1CCN(Cc2ccc(C(=O)N3CCC[C@@H](c4nn[n-]n4)C3)cc2)CC1 ZINC000533572992 490258068 /nfs/dbraw/zinc/25/80/68/490258068.db2.gz PMQPZVWMQPDUFB-QGZVFWFLSA-N -1 3 369.473 0.967 10 0 FCAEHM Cc1nccc(N2CCN(C(=O)CNC(=O)c3ccc([O-])cc3)CC2)n1 ZINC000546899354 490258258 /nfs/dbraw/zinc/25/82/58/490258258.db2.gz MRVFFQQZSZCGID-UHFFFAOYSA-N -1 3 355.398 0.569 10 0 FCAEHM CN(C)c1ncc(NC(=O)NCC[N-]S(=O)(=O)c2cccs2)cn1 ZINC000533568116 490258739 /nfs/dbraw/zinc/25/87/39/490258739.db2.gz MJZAQOIUHOKZAW-UHFFFAOYSA-N -1 3 370.460 0.704 10 0 FCAEHM CN(C)C(=O)COc1ccc(-c2noc(CN3CC(=O)[N-]C3=O)n2)cc1 ZINC000547090396 490267302 /nfs/dbraw/zinc/26/73/02/490267302.db2.gz OUSTXXCAJYVIEI-UHFFFAOYSA-N -1 3 359.342 0.255 10 0 FCAEHM CCOCCOc1ccccc1C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000447759679 490269569 /nfs/dbraw/zinc/26/95/69/490269569.db2.gz UKNKFPZPQHBUBA-GOSISDBHSA-N -1 3 361.398 0.916 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](CO)CC(F)(F)F ZINC000533799110 490283351 /nfs/dbraw/zinc/28/33/51/490283351.db2.gz YHRUBQSZFZJNHP-MRVPVSSYSA-N -1 3 361.363 0.682 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000408242456 490286157 /nfs/dbraw/zinc/28/61/57/490286157.db2.gz UTYDDBPNEZTVCR-QWRGUYRKSA-N -1 3 351.450 0.430 10 0 FCAEHM CN(C)[C@H](C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)c1cncn1C ZINC000571547200 491314787 /nfs/dbraw/zinc/31/47/87/491314787.db2.gz NHKAXUINKYUZQW-HNNXBMFYSA-N -1 3 358.402 0.558 10 0 FCAEHM CC(=O)Nc1ccc(Br)cc1NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000533871886 490294849 /nfs/dbraw/zinc/29/48/49/490294849.db2.gz NEPSAUDKZVHRGI-JTQLQIEISA-N -1 3 369.175 0.944 10 0 FCAEHM CCNC(=O)C(C)(C)C[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000448166247 490318908 /nfs/dbraw/zinc/31/89/08/490318908.db2.gz WZNRIIBZZHBCJZ-UHFFFAOYSA-N -1 3 362.473 0.531 10 0 FCAEHM O=C(c1ccco1)N1CCCC[C@@H]1C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000408453816 490342221 /nfs/dbraw/zinc/34/22/21/490342221.db2.gz TTYVWVUWBSRAGH-XIKOKIGWSA-N -1 3 374.397 0.475 10 0 FCAEHM Cc1c(CN(C)C(=O)Cn2cc(Br)c(=O)[n-]c2=O)cnn1C ZINC000547741842 490350645 /nfs/dbraw/zinc/35/06/45/490350645.db2.gz ZPJMSSQZIAVWCF-UHFFFAOYSA-N -1 3 370.207 0.412 10 0 FCAEHM COc1cc(NC(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)nn1C ZINC000547838872 490364724 /nfs/dbraw/zinc/36/47/24/490364724.db2.gz QNKFNFUEVOGYIL-UHFFFAOYSA-N -1 3 359.386 1.124 10 0 FCAEHM C[C@H](CO)[C@H](C)NC(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000534564173 490382685 /nfs/dbraw/zinc/38/26/85/490382685.db2.gz FRONYQPUBRXEIP-ZJUUUORDSA-N -1 3 350.387 0.766 10 0 FCAEHM Cc1cccc2c(=O)n(CC(=O)Nc3[n-]nnc3C(=O)NC3CC3)cnc12 ZINC000411104625 490388345 /nfs/dbraw/zinc/38/83/45/490388345.db2.gz NPTPDZUAQXJXRO-UHFFFAOYSA-N -1 3 367.369 0.354 10 0 FCAEHM Cc1cccc2c(=O)n(CC(=O)Nc3nn[n-]c3C(=O)NC3CC3)cnc12 ZINC000411104625 490388350 /nfs/dbraw/zinc/38/83/50/490388350.db2.gz NPTPDZUAQXJXRO-UHFFFAOYSA-N -1 3 367.369 0.354 10 0 FCAEHM Cc1cccc2c(=O)n(CC(=O)Nc3n[n-]nc3C(=O)NC3CC3)cnc12 ZINC000411104625 490388354 /nfs/dbraw/zinc/38/83/54/490388354.db2.gz NPTPDZUAQXJXRO-UHFFFAOYSA-N -1 3 367.369 0.354 10 0 FCAEHM O=C(NC1CC1)c1nn[n-]c1NC(=O)C1CN(C(=O)C2CCCCC2)C1 ZINC000411110873 490390026 /nfs/dbraw/zinc/39/00/26/490390026.db2.gz PHFUCKNLSXJOLC-UHFFFAOYSA-N -1 3 360.418 0.674 10 0 FCAEHM O=C(NC1CC1)c1[n-]nnc1NC(=O)C1CN(C(=O)C2CCCCC2)C1 ZINC000411110873 490390031 /nfs/dbraw/zinc/39/00/31/490390031.db2.gz PHFUCKNLSXJOLC-UHFFFAOYSA-N -1 3 360.418 0.674 10 0 FCAEHM O=C(NC1CC1)c1n[n-]nc1NC(=O)C1CN(C(=O)C2CCCCC2)C1 ZINC000411110873 490390035 /nfs/dbraw/zinc/39/00/35/490390035.db2.gz PHFUCKNLSXJOLC-UHFFFAOYSA-N -1 3 360.418 0.674 10 0 FCAEHM C[C@@](O)(Cn1ccccc1=O)C(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000468415709 490400055 /nfs/dbraw/zinc/40/00/55/490400055.db2.gz BFWGGFHNGARIAM-LJQANCHMSA-N -1 3 373.409 0.241 10 0 FCAEHM NC(=O)CCCCC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000548003953 490403341 /nfs/dbraw/zinc/40/33/41/490403341.db2.gz ZMVKHKKWEIPPMB-UHFFFAOYSA-N -1 3 367.880 0.842 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]([C@H]3CCOC3)C2)cn1 ZINC000548107116 490422190 /nfs/dbraw/zinc/42/21/90/490422190.db2.gz NEUHQWKKYKLOCC-KBPBESRZSA-N -1 3 353.444 0.878 10 0 FCAEHM O=S(=O)([N-]Cc1cccc(N2CCOCC2)n1)c1cncc(F)c1 ZINC000548150720 490430443 /nfs/dbraw/zinc/43/04/43/490430443.db2.gz MEXWFFIUGCWIHS-UHFFFAOYSA-N -1 3 352.391 0.931 10 0 FCAEHM O=C(c1nc[nH]c1C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O)c1ccccc1 ZINC000509508365 490435358 /nfs/dbraw/zinc/43/53/58/490435358.db2.gz GGZAEGINAHAODI-SFHVURJKSA-N -1 3 367.365 0.455 10 0 FCAEHM CCNC(=O)C1CN(C(=O)C(=O)[N-]c2scc(C)c2C(=O)OC)C1 ZINC000499777814 490454703 /nfs/dbraw/zinc/45/47/03/490454703.db2.gz ONPOCGGWFOZELZ-UHFFFAOYSA-N -1 3 353.400 0.376 10 0 FCAEHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]CCc2nc(C)no2)s1 ZINC000484784570 490466643 /nfs/dbraw/zinc/46/66/43/490466643.db2.gz CNPSQTFHENONLR-UHFFFAOYSA-N -1 3 361.401 0.756 10 0 FCAEHM CCOC(=O)c1ccc(NC(=O)Cn2cnc3c(cnn3C)c2=O)c([O-])c1 ZINC000535542675 490497339 /nfs/dbraw/zinc/49/73/39/490497339.db2.gz RKAOPPMNMLLGIW-UHFFFAOYSA-N -1 3 371.353 0.651 10 0 FCAEHM CN(Cc1cnccn1)C(=O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000524002389 490508907 /nfs/dbraw/zinc/50/89/07/490508907.db2.gz XRRAJLNXRYGDRL-UHFFFAOYSA-N -1 3 352.391 0.943 10 0 FCAEHM CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccc2c(c1)CCC2=O ZINC000451076283 490511991 /nfs/dbraw/zinc/51/19/91/490511991.db2.gz GNMRKLWZGOCAGS-UHFFFAOYSA-N -1 3 360.457 0.839 10 0 FCAEHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](C)C2(S(C)(=O)=O)CC2)c1 ZINC000510468346 490519406 /nfs/dbraw/zinc/51/94/06/490519406.db2.gz AMKLYPZHBOTPJM-MRVPVSSYSA-N -1 3 367.470 0.779 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)C2(S(C)(=O)=O)CC2)s1 ZINC000510517304 490523852 /nfs/dbraw/zinc/52/38/52/490523852.db2.gz HYIJFCSXDZHDPK-QMMMGPOBSA-N -1 3 367.470 0.779 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)C2(S(C)(=O)=O)CC2)c(C)o1 ZINC000510524643 490524241 /nfs/dbraw/zinc/52/42/41/490524241.db2.gz YGADSEPVVZWLSJ-SECBINFHSA-N -1 3 365.429 0.619 10 0 FCAEHM COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000510559836 490526249 /nfs/dbraw/zinc/52/62/49/490526249.db2.gz PCUFHXMDRJLVBN-ZETCQYMHSA-N -1 3 368.458 0.174 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NCCN1CCOCC1 ZINC000524291275 490530504 /nfs/dbraw/zinc/53/05/04/490530504.db2.gz WIPSCCDFQISNEJ-UHFFFAOYSA-N -1 3 371.441 0.521 10 0 FCAEHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCN2C(=O)N=NC2C1 ZINC000500635596 490538960 /nfs/dbraw/zinc/53/89/60/490538960.db2.gz CAKLGBPNOSPTGP-UHFFFAOYSA-N -1 3 365.371 0.121 10 0 FCAEHM CC(C)[C@H](NC(=O)CN1CC(=O)[N-]C1=O)c1nc(-c2ccncc2)no1 ZINC000524696944 490551791 /nfs/dbraw/zinc/55/17/91/490551791.db2.gz QDZDDPHIJICBBW-ZDUSSCGKSA-N -1 3 358.358 0.497 10 0 FCAEHM CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000536083086 490552083 /nfs/dbraw/zinc/55/20/83/490552083.db2.gz IIJDUCINJIBROP-INIZCTEOSA-N -1 3 365.389 1.000 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NCCc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000511185840 490568565 /nfs/dbraw/zinc/56/85/65/490568565.db2.gz OVUGLFNUJHIPIT-UHFFFAOYSA-N -1 3 362.777 0.336 10 0 FCAEHM NC(=O)[C@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000511325107 490581509 /nfs/dbraw/zinc/58/15/09/490581509.db2.gz KOKKKHPCHJHRKT-ZETCQYMHSA-N -1 3 357.613 0.227 10 0 FCAEHM CC(C)C[C@H](NC(=O)c1cc(=O)[n-]c(N(C)C)n1)C(=O)NCCN(C)C ZINC000549651992 490592764 /nfs/dbraw/zinc/59/27/64/490592764.db2.gz APCVXKPJUGEJQT-LBPRGKRZSA-N -1 3 366.466 0.071 10 0 FCAEHM Cn1ccc(C[N-]S(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)n1 ZINC000536557930 490592888 /nfs/dbraw/zinc/59/28/88/490592888.db2.gz VTZSVXYBNBJNRX-UHFFFAOYSA-N -1 3 370.456 0.339 10 0 FCAEHM Cc1ccc(CN(C)C(=O)CC[N-]S(=O)(=O)c2cn(C)c(C)n2)o1 ZINC000511532920 490601575 /nfs/dbraw/zinc/60/15/75/490601575.db2.gz RHTDWXSQCHODEY-UHFFFAOYSA-N -1 3 354.432 0.957 10 0 FCAEHM C[C@H]1CCCN(S(=O)(=O)Nc2ccc(C[C@H]3NC(=O)[N-]C3=O)cc2)C1 ZINC000536700569 490608802 /nfs/dbraw/zinc/60/88/02/490608802.db2.gz UUHJCBWCTVMQSW-SMDDNHRTSA-N -1 3 366.443 0.826 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)N2CCN(CCO)[C@H](C)C2)ccc1F ZINC000486387011 490616138 /nfs/dbraw/zinc/61/61/38/490616138.db2.gz JQVBFJBVHFMMDX-LLVKDONJSA-N -1 3 374.438 0.264 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]CCNS(=O)(=O)c2cccs2)o1 ZINC000536906248 490622663 /nfs/dbraw/zinc/62/26/63/490622663.db2.gz RGCLJWGXMPXMOT-UHFFFAOYSA-N -1 3 350.443 0.906 10 0 FCAEHM CC(C)CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000536910811 490622765 /nfs/dbraw/zinc/62/27/65/490622765.db2.gz QYNQBHRNKNLURJ-GRYCIOLGSA-N -1 3 370.475 0.427 10 0 FCAEHM O=C(NCCN1CCN(C(=O)C2CCC2)CC1)NCc1ncccc1[O-] ZINC000525921256 490653265 /nfs/dbraw/zinc/65/32/65/490653265.db2.gz BRAXOPHKDMVJLN-UHFFFAOYSA-N -1 3 361.446 0.531 10 0 FCAEHM Cc1cc(CCNC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)cc(C)c1O ZINC000526068984 490672403 /nfs/dbraw/zinc/67/24/03/490672403.db2.gz OWXCOKWQDVWAOV-UHFFFAOYSA-N -1 3 366.443 0.380 10 0 FCAEHM CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000502105910 490677381 /nfs/dbraw/zinc/67/73/81/490677381.db2.gz PBSMCIKHGIGZBH-JGVFFNPUSA-N -1 3 353.345 0.781 10 0 FCAEHM CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000502105910 490677384 /nfs/dbraw/zinc/67/73/84/490677384.db2.gz PBSMCIKHGIGZBH-JGVFFNPUSA-N -1 3 353.345 0.781 10 0 FCAEHM CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000502105910 490677387 /nfs/dbraw/zinc/67/73/87/490677387.db2.gz PBSMCIKHGIGZBH-JGVFFNPUSA-N -1 3 353.345 0.781 10 0 FCAEHM COc1cnccc1N1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)CC1 ZINC000527028568 490693087 /nfs/dbraw/zinc/69/30/87/490693087.db2.gz JVRAKOOUTBRVLW-UHFFFAOYSA-N -1 3 350.404 0.355 10 0 FCAEHM COCCCn1c(=O)[n-]nc1SC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000487176062 490699642 /nfs/dbraw/zinc/69/96/42/490699642.db2.gz KWPTVURKEQSCRQ-SNVBAGLBSA-N -1 3 350.466 0.394 10 0 FCAEHM CCN1CCN(C(=O)CNC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)CC1 ZINC000557101947 491353165 /nfs/dbraw/zinc/35/31/65/491353165.db2.gz TYXMRZJDPRSOAK-UHFFFAOYSA-N -1 3 361.442 1.000 10 0 FCAEHM CCOC(=O)[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1sccc1OC ZINC000487341744 490706177 /nfs/dbraw/zinc/70/61/77/490706177.db2.gz XPLJJGFLPCNSTQ-IUCAKERBSA-N -1 3 364.445 0.491 10 0 FCAEHM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000487343305 490706560 /nfs/dbraw/zinc/70/65/60/490706560.db2.gz HQJBHZNLBUWCJM-MNOVXSKESA-N -1 3 360.436 0.199 10 0 FCAEHM Cc1ccc(C[N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)c(=O)n1C ZINC000487362001 490708020 /nfs/dbraw/zinc/70/80/20/490708020.db2.gz YMDZAEPUXCXREJ-UHFFFAOYSA-N -1 3 370.452 0.576 10 0 FCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1c(C)cccc1F ZINC000487385655 490709894 /nfs/dbraw/zinc/70/98/94/490709894.db2.gz CUYXVLHNWHCCSQ-GHMZBOCLSA-N -1 3 360.407 0.869 10 0 FCAEHM O=S(=O)([N-]C[C@@H](O)[C@@H]1CCCO1)c1ccc(Br)cn1 ZINC000528495253 490803597 /nfs/dbraw/zinc/80/35/97/490803597.db2.gz YSIKXUGUPOZOSB-ZJUUUORDSA-N -1 3 351.222 0.662 10 0 FCAEHM CN(C)c1ncccc1CNC(=O)C[N-]S(=O)(=O)c1ccccc1F ZINC000514819658 490790211 /nfs/dbraw/zinc/79/02/11/490790211.db2.gz GUZVKNBWOADTJE-UHFFFAOYSA-N -1 3 366.418 0.881 10 0 FCAEHM COc1ccccc1-c1ncc(CN2CCN3C(=O)[N-]C(=O)[C@H]3C2)cn1 ZINC000572222552 491356298 /nfs/dbraw/zinc/35/62/98/491356298.db2.gz IVYKSJABHXFTHL-CQSZACIVSA-N -1 3 353.382 0.888 10 0 FCAEHM CCOC(=O)c1cc(NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)n[n-]1 ZINC000539748868 490793724 /nfs/dbraw/zinc/79/37/24/490793724.db2.gz XTHGNGBCJXTHGO-UHFFFAOYSA-N -1 3 357.326 0.641 10 0 FCAEHM CCOC(=O)c1cc(NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)[n-]n1 ZINC000539748868 490793726 /nfs/dbraw/zinc/79/37/26/490793726.db2.gz XTHGNGBCJXTHGO-UHFFFAOYSA-N -1 3 357.326 0.641 10 0 FCAEHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-][C@@H]1COC[C@H]1O ZINC000528409967 490795559 /nfs/dbraw/zinc/79/55/59/490795559.db2.gz CWLOSRZAZLOSIQ-HTQZYQBOSA-N -1 3 357.306 0.632 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@H]1CCC(=O)N(C)C1=O)c1ccc(F)cc1 ZINC000528421280 490796715 /nfs/dbraw/zinc/79/67/15/490796715.db2.gz FAZHDSNYALMTHT-QWHCGFSZSA-N -1 3 358.391 0.580 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)Nc1ccccc1CC(=O)OC ZINC000514900296 490797011 /nfs/dbraw/zinc/79/70/11/490797011.db2.gz JQBGGPPBVFBMLF-UHFFFAOYSA-N -1 3 358.416 0.297 10 0 FCAEHM O=S(=O)([N-]C[C@H](O)[C@H]1CCCO1)c1ccc(Br)cn1 ZINC000528495249 490803657 /nfs/dbraw/zinc/80/36/57/490803657.db2.gz YSIKXUGUPOZOSB-VHSXEESVSA-N -1 3 351.222 0.662 10 0 FCAEHM CCNS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@]12C[C@@H]1COC2(C)C ZINC000528491988 490803832 /nfs/dbraw/zinc/80/38/32/490803832.db2.gz MQGJFTQVMWNGBE-ABAIWWIYSA-N -1 3 374.484 0.831 10 0 FCAEHM CCCS(=O)(=O)[N-]c1cc(NC(=O)CNC(N)=O)c(F)cc1F ZINC000540613070 490830601 /nfs/dbraw/zinc/83/06/01/490830601.db2.gz VYVVVTCCCJYONT-UHFFFAOYSA-N -1 3 350.347 0.723 10 0 FCAEHM CCOC(=O)[C@@H](CCOC(C)(C)C)NC(=O)c1cn(C)c(=O)[n-]c1=O ZINC000540656779 490832030 /nfs/dbraw/zinc/83/20/30/490832030.db2.gz BUKMWWOKLRIDAR-LLVKDONJSA-N -1 3 355.391 0.353 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@@H](CO)c1ccsc1 ZINC000505596009 490834445 /nfs/dbraw/zinc/83/44/45/490834445.db2.gz IUTQRGGBGCQXLN-VIFPVBQESA-N -1 3 374.216 0.623 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N[C@@H](CO)c2ccsc2)cn1C ZINC000505613500 490834992 /nfs/dbraw/zinc/83/49/92/490834992.db2.gz YOABJRWRSVEKPH-LBPRGKRZSA-N -1 3 372.472 0.308 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC000540960104 490842215 /nfs/dbraw/zinc/84/22/15/490842215.db2.gz RKVKKWFVRXIPPW-HIFRSBDPSA-N -1 3 357.410 0.830 10 0 FCAEHM C[C@H]1CN(CCNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CCO1 ZINC000540961516 490842317 /nfs/dbraw/zinc/84/23/17/490842317.db2.gz ZSIHEJKTOQIIJA-HOCLYGCPSA-N -1 3 361.442 0.834 10 0 FCAEHM O=C(NCc1ccc([O-])c(F)c1)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000529314447 490850314 /nfs/dbraw/zinc/85/03/14/490850314.db2.gz KDCJNPFXWVEXRK-UHFFFAOYSA-N -1 3 365.409 0.384 10 0 FCAEHM Cc1ccccc1C(=O)NCC(=O)N1CCC[C@H]1C[C@]1(C)NC(=O)[N-]C1=O ZINC000516202061 490856599 /nfs/dbraw/zinc/85/65/99/490856599.db2.gz KKPINWZPVSZDMR-DJJJIMSYSA-N -1 3 372.425 0.704 10 0 FCAEHM COc1ccc(CN2CC[C@@H]2CNC(=O)CC[C@H]2NC(=O)[N-]C2=O)cc1 ZINC000529830627 490878780 /nfs/dbraw/zinc/87/87/80/490878780.db2.gz JEEGMNJGYCWRTI-UKRRQHHQSA-N -1 3 360.414 0.374 10 0 FCAEHM COc1ccc(CN2CC[C@H]2CNC(=O)CC[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000529830629 490879134 /nfs/dbraw/zinc/87/91/34/490879134.db2.gz JEEGMNJGYCWRTI-ZFWWWQNUSA-N -1 3 360.414 0.374 10 0 FCAEHM CC1(C)CN(S(=O)(=O)[N-][C@H]2CCCN(c3cccnc3)C2=O)CCO1 ZINC000542239620 490889494 /nfs/dbraw/zinc/88/94/94/490889494.db2.gz IXPYWQDOFWHFSI-AWEZNQCLSA-N -1 3 368.459 0.522 10 0 FCAEHM CNC(=O)NC[C@H]1CN(C(=O)c2c[n-]c3cc(OC)ccc3c2=O)CCO1 ZINC000530273146 490897224 /nfs/dbraw/zinc/89/72/24/490897224.db2.gz LCCDWYAJWVXAJX-LBPRGKRZSA-N -1 3 374.397 0.307 10 0 FCAEHM CCC(C)(C)OC1CN(C(=O)C[N-]S(=O)(=O)c2c(C)noc2C)C1 ZINC000530275497 490897372 /nfs/dbraw/zinc/89/73/72/490897372.db2.gz VBFNRRNZYQZFJZ-UHFFFAOYSA-N -1 3 359.448 0.986 10 0 FCAEHM O=C(CNC(=O)c1ccc([O-])cc1)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000542456721 490897384 /nfs/dbraw/zinc/89/73/84/490897384.db2.gz QACGLOBGGBRSDM-MRXNPFEDSA-N -1 3 368.393 0.829 10 0 FCAEHM COC(=O)c1ncccc1S(=O)(=O)[N-][C@H](CO)C[C@@H](O)C(C)(C)C ZINC000517247725 490901679 /nfs/dbraw/zinc/90/16/79/490901679.db2.gz RJZVIAXMADPVFD-CMPLNLGQSA-N -1 3 360.432 0.305 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000530750595 490922629 /nfs/dbraw/zinc/92/26/29/490922629.db2.gz DZYUPDJHUZQBFN-JTQLQIEISA-N -1 3 356.386 0.401 10 0 FCAEHM COC(=O)[C@H](c1c(F)cccc1Cl)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000543194420 490925044 /nfs/dbraw/zinc/92/50/44/490925044.db2.gz PKKWCNGRDJDYDQ-JQWIXIFHSA-N -1 3 355.753 0.929 10 0 FCAEHM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NC[C@@H]1CCCN1C ZINC000518057112 490929286 /nfs/dbraw/zinc/92/92/86/490929286.db2.gz OIKXPYZRRPERAJ-AWEZNQCLSA-N -1 3 363.462 0.470 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)NCCCn1ccnn1 ZINC000543360003 490930470 /nfs/dbraw/zinc/93/04/70/490930470.db2.gz FLXCABVTGQUKLA-UHFFFAOYSA-N -1 3 355.395 0.292 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)Nc2ncn(C(C)(C)C)n2)cn1C ZINC000543383658 490931344 /nfs/dbraw/zinc/93/13/44/490931344.db2.gz BLVLWSXNGKGKHB-UHFFFAOYSA-N -1 3 369.451 0.382 10 0 FCAEHM COC(=O)c1sc2[n-]c(CN3CC(C)(C(N)=O)C3)nc(=O)c2c1C ZINC000518179148 490932322 /nfs/dbraw/zinc/93/23/22/490932322.db2.gz LWTVAIUHQYDKEK-UHFFFAOYSA-N -1 3 350.400 0.387 10 0 FCAEHM CCNC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2cc(F)cc(C(=O)OC)c2)C1 ZINC000543905614 490951172 /nfs/dbraw/zinc/95/11/72/490951172.db2.gz WARJARLMHKNFQI-GFCCVEGCSA-N -1 3 373.406 0.694 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)NCCCNc2ccccc2F)c1 ZINC000544295852 490964618 /nfs/dbraw/zinc/96/46/18/490964618.db2.gz JSUSCAWBAKBMAV-UHFFFAOYSA-N -1 3 369.422 0.456 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(N)=O)C2)s1 ZINC000531686646 490970851 /nfs/dbraw/zinc/97/08/51/490970851.db2.gz UWCPQYHUJDATKQ-MNOVXSKESA-N -1 3 359.473 0.707 10 0 FCAEHM COCCN1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C(=O)OC)s1 ZINC000519433043 490972341 /nfs/dbraw/zinc/97/23/41/490972341.db2.gz NMTDPVSROMAUAB-LLVKDONJSA-N -1 3 362.473 0.924 10 0 FCAEHM CN(C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)[C@@H]1CCN(C2CC2)C1 ZINC000519729043 490986996 /nfs/dbraw/zinc/98/69/96/490986996.db2.gz DBDWCKRCGZIDDR-GFCCVEGCSA-N -1 3 373.425 0.938 10 0 FCAEHM CC1(C)CN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)CCS1(=O)=O ZINC000532304392 490990746 /nfs/dbraw/zinc/99/07/46/490990746.db2.gz VIIXVMGDODFPKU-UHFFFAOYSA-N -1 3 351.384 0.611 10 0 FCAEHM NC(=O)[C@@H]1CCC[C@H](NC(=O)CC[N-]S(=O)(=O)c2cccs2)C1 ZINC000532525181 490993621 /nfs/dbraw/zinc/99/36/21/490993621.db2.gz HYHHWTBVFPXZEB-MNOVXSKESA-N -1 3 359.473 0.577 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-][C@H]2CCN(c3ccc(F)cc3)C2=O)CC1 ZINC000601440588 491919787 /nfs/dbraw/zinc/91/97/87/491919787.db2.gz XZUKVIAZZVGLBR-ZDUSSCGKSA-N -1 3 370.402 0.804 10 0 FCAEHM CCNC(=O)N(C)c1cccc(NC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)c1 ZINC000569547368 491167314 /nfs/dbraw/zinc/16/73/14/491167314.db2.gz FYDVZPZOSQTJLN-CYBMUJFWSA-N -1 3 374.401 0.620 10 0 FCAEHM Cc1cc([N-]C(=O)[C@@H](C)N2CCCN(S(=O)(=O)C3CC3)CC2)on1 ZINC000569568864 491168943 /nfs/dbraw/zinc/16/89/43/491168943.db2.gz WJCVYDXHTWCYPT-GFCCVEGCSA-N -1 3 356.448 0.810 10 0 FCAEHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@@H]2C[C@H]1CS2 ZINC000562782714 491188773 /nfs/dbraw/zinc/18/87/73/491188773.db2.gz ZTEVNVUSXIZTEP-QWRGUYRKSA-N -1 3 362.498 0.863 10 0 FCAEHM Cn1nccc1CC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-] ZINC000572466592 491371928 /nfs/dbraw/zinc/37/19/28/491371928.db2.gz ASBQRNOQKPQTCJ-UHFFFAOYSA-N -1 3 350.400 0.847 10 0 FCAEHM C[C@@]1(F)CNCCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000572601284 491380596 /nfs/dbraw/zinc/38/05/96/491380596.db2.gz CYZYQIJHYPPUBG-GFCCVEGCSA-N -1 3 369.871 0.840 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](CO)c2cccnc2)s1 ZINC000572628618 491382354 /nfs/dbraw/zinc/38/23/54/491382354.db2.gz MDIDIVJCXAXIFB-NSHDSACASA-N -1 3 356.425 0.984 10 0 FCAEHM CC[C@@H]([N-]S(=O)(=O)c1cnn(C2CCOCC2)c1)[C@@H](O)C(F)F ZINC000565548815 491383774 /nfs/dbraw/zinc/38/37/74/491383774.db2.gz IQYGYLFWIBDILX-VXGBXAGGSA-N -1 3 353.391 0.918 10 0 FCAEHM O=C(c1ccc([O-])cc1)N1CCN(S(=O)(=O)c2cscn2)CC1 ZINC000565596284 491387202 /nfs/dbraw/zinc/38/72/02/491387202.db2.gz KEWIDYZOQHMYON-UHFFFAOYSA-N -1 3 353.425 0.995 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccnc1C(F)(F)F)N1CCOCC1 ZINC000557834925 491399935 /nfs/dbraw/zinc/39/99/35/491399935.db2.gz RFZMTFGGNLWUEY-UHFFFAOYSA-N -1 3 353.322 0.238 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@@H](CO)c1cccnc1 ZINC000557863292 491401892 /nfs/dbraw/zinc/40/18/92/491401892.db2.gz JZNVVTUDZAXZSD-ZDUSSCGKSA-N -1 3 370.452 0.540 10 0 FCAEHM CCN1CCC[C@H](NC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)C1 ZINC000572924439 491402092 /nfs/dbraw/zinc/40/20/92/491402092.db2.gz QQOSCAMLNDVMGU-NSHDSACASA-N -1 3 361.414 0.844 10 0 FCAEHM CC(C)OCc1nc([C@H](C)[N-]S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)no1 ZINC000565860630 491404055 /nfs/dbraw/zinc/40/40/55/491404055.db2.gz FITXTNLOBXVBSG-UTUOFQBUSA-N -1 3 362.452 0.999 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](CO)[C@H]1CCCOC1 ZINC000573022094 491408214 /nfs/dbraw/zinc/40/82/14/491408214.db2.gz SREFCTTUNIMWQR-RYUDHWBXSA-N -1 3 363.457 0.156 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(C)CCNC(C)=O ZINC000566200937 491425347 /nfs/dbraw/zinc/42/53/47/491425347.db2.gz KYTYFVWTFNKFLV-UHFFFAOYSA-N -1 3 355.416 0.766 10 0 FCAEHM CN(C)c1nc(C(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)cc(=O)[n-]1 ZINC000558920516 491448619 /nfs/dbraw/zinc/44/86/19/491448619.db2.gz QONKIUAXODKFDV-BXUZGUMPSA-N -1 3 350.419 0.546 10 0 FCAEHM CCOC(=O)C[C@H](O)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000559267535 491459908 /nfs/dbraw/zinc/45/99/08/491459908.db2.gz RTINEJYLRCZGRV-LBPRGKRZSA-N -1 3 374.415 0.709 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)CNC(=O)c2ccc(F)cc2F)nc1=N ZINC000566683158 491460857 /nfs/dbraw/zinc/46/08/57/491460857.db2.gz BDRPKRVOEVUESS-GFCCVEGCSA-N -1 3 364.356 0.599 10 0 FCAEHM COc1ccc(C(=O)NCC(=O)N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)cc1 ZINC000567279488 491496590 /nfs/dbraw/zinc/49/65/90/491496590.db2.gz NKNLUZXEZYAQDX-CYBMUJFWSA-N -1 3 358.402 0.330 10 0 FCAEHM CN(C)C(=O)c1cccc(NC(=O)CN2CCC[C@@H]2c2nc(=N)n(C)[n-]2)c1 ZINC000559760104 491496978 /nfs/dbraw/zinc/49/69/78/491496978.db2.gz IHGKUYBAUUJZEG-CQSZACIVSA-N -1 3 371.445 0.705 10 0 FCAEHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC2(C1)CCCOC2 ZINC000673576466 493347289 /nfs/dbraw/zinc/34/72/89/493347289.db2.gz SQCJHRVUQHEOES-UHFFFAOYSA-N -1 3 374.484 0.786 10 0 FCAEHM CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)N1CCC(C(=O)OC)CC1)C(=O)OC ZINC000574806372 491521075 /nfs/dbraw/zinc/52/10/75/491521075.db2.gz FIKMZXZJRKYKEK-DGCLKSJQSA-N -1 3 364.464 0.684 10 0 FCAEHM Cc1c(C(=O)NCC[N-]S(=O)(=O)c2cccs2)nn2c1OCCC2 ZINC000560194350 491522939 /nfs/dbraw/zinc/52/29/39/491522939.db2.gz NAFNVMAXDSNJOC-UHFFFAOYSA-N -1 3 370.456 0.744 10 0 FCAEHM CS(=O)(=O)CC[C@H]1CCCCN1C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000561043337 491571762 /nfs/dbraw/zinc/57/17/62/491571762.db2.gz ROTSRRVNRBTVGE-GFCCVEGCSA-N -1 3 364.423 1.000 10 0 FCAEHM CNC(=O)[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000577146437 491595585 /nfs/dbraw/zinc/59/55/85/491595585.db2.gz BQDKGPBXGMCOFE-GHMZBOCLSA-N -1 3 358.416 0.876 10 0 FCAEHM Cc1cccc2c1ncn(CC(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1)c2=O ZINC000568636099 491595885 /nfs/dbraw/zinc/59/58/85/491595885.db2.gz YOJNGYQGEOIJEI-ZDUSSCGKSA-N -1 3 367.413 0.610 10 0 FCAEHM Cn1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c(=O)n(C)c1=O ZINC000576531166 491622718 /nfs/dbraw/zinc/62/27/18/491622718.db2.gz URHNKWDRQBAUFT-ZDUSSCGKSA-N -1 3 372.381 0.033 10 0 FCAEHM Cc1cc(N2CCC[C@@H](NC(=O)CNC(=O)c3ccc([O-])cc3)C2)n(C)n1 ZINC000683502198 493356073 /nfs/dbraw/zinc/35/60/73/493356073.db2.gz HKBFCYKLICQIAO-OAHLLOKOSA-N -1 3 371.441 0.949 10 0 FCAEHM CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)c2cc(F)cc3nn[n-]c32)C1 ZINC000561788982 491630773 /nfs/dbraw/zinc/63/07/73/491630773.db2.gz BBQLOQITNJRHGL-SNVBAGLBSA-N -1 3 370.410 0.098 10 0 FCAEHM CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)c2cc(F)cc3[n-]nnc32)C1 ZINC000561788982 491630775 /nfs/dbraw/zinc/63/07/75/491630775.db2.gz BBQLOQITNJRHGL-SNVBAGLBSA-N -1 3 370.410 0.098 10 0 FCAEHM CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)c2cc(F)cc3n[n-]nc32)C1 ZINC000561788982 491630778 /nfs/dbraw/zinc/63/07/78/491630778.db2.gz BBQLOQITNJRHGL-SNVBAGLBSA-N -1 3 370.410 0.098 10 0 FCAEHM CCO[C@@H]1C[C@@]([N-]S(=O)(=O)CCN(CC)CC)(C(=O)OC)C1(C)C ZINC000576744053 491641080 /nfs/dbraw/zinc/64/10/80/491641080.db2.gz REGDVDMYKGDGAU-CZUORRHYSA-N -1 3 364.508 0.994 10 0 FCAEHM CCOc1ccccc1C(=O)NCC(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1 ZINC000561946785 491641593 /nfs/dbraw/zinc/64/15/93/491641593.db2.gz LFRICZUGKXXJEQ-CYBMUJFWSA-N -1 3 372.429 0.720 10 0 FCAEHM CS(=O)(=O)CCCS(=O)(=O)[N-][C@@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC000562063054 491651524 /nfs/dbraw/zinc/65/15/24/491651524.db2.gz UWFGINNPMMSSTI-STQMWFEESA-N -1 3 369.505 0.051 10 0 FCAEHM CCOC1(C)CN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]C2CC2)C1 ZINC000576913621 491655954 /nfs/dbraw/zinc/65/59/54/491655954.db2.gz CWVJSPXYNWCFRK-UHFFFAOYSA-N -1 3 374.484 0.927 10 0 FCAEHM COC(=O)CCS(=O)(=O)[N-]c1cccc(C(=O)N2CCC(O)CC2)c1 ZINC000562227406 491660725 /nfs/dbraw/zinc/66/07/25/491660725.db2.gz ZEQHZIULGHHMFH-UHFFFAOYSA-N -1 3 370.427 0.588 10 0 FCAEHM Cn1nc(-c2ccsc2)cc1NC(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000562335703 491666287 /nfs/dbraw/zinc/66/62/87/491666287.db2.gz CTMNAFMELKHGIH-NSHDSACASA-N -1 3 360.399 0.917 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cscn1)N1CCN(c2ccccc2)CC1 ZINC000578885552 491686458 /nfs/dbraw/zinc/68/64/58/491686458.db2.gz AERYAUJQMSUQLW-UHFFFAOYSA-N -1 3 366.468 0.770 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)n[nH]1 ZINC000579538030 491700037 /nfs/dbraw/zinc/70/00/37/491700037.db2.gz SGZAJRJLRVNFFS-UHFFFAOYSA-N -1 3 351.326 1.338 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)[nH]n1 ZINC000579538030 491700038 /nfs/dbraw/zinc/70/00/38/491700038.db2.gz SGZAJRJLRVNFFS-UHFFFAOYSA-N -1 3 351.326 1.338 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C[C@@H]1CC(=O)N(C2CC2)C1 ZINC000584682163 491710106 /nfs/dbraw/zinc/71/01/06/491710106.db2.gz JEIKBDZZSFDHHU-NSHDSACASA-N -1 3 370.427 0.972 10 0 FCAEHM CO[C@H](CS(=O)(=O)NCC[N-]S(=O)(=O)c1cccs1)C1CC1 ZINC000579953013 491710792 /nfs/dbraw/zinc/71/07/92/491710792.db2.gz ALMFGJJDJDMUQT-LLVKDONJSA-N -1 3 368.502 0.371 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@H]1CCCS(=O)(=O)C1 ZINC000584749273 491712633 /nfs/dbraw/zinc/71/26/33/491712633.db2.gz SGZSRSVWVTYVJQ-JTQLQIEISA-N -1 3 365.429 0.539 10 0 FCAEHM O=S(=O)([N-]CCCN1CCCS1(=O)=O)c1ccc(F)cc1F ZINC000585809137 491730285 /nfs/dbraw/zinc/73/02/85/491730285.db2.gz TWDYDLKTXAOKHL-UHFFFAOYSA-N -1 3 354.400 0.669 10 0 FCAEHM CN1CCC[C@@H](NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000586754185 491731535 /nfs/dbraw/zinc/73/15/35/491731535.db2.gz XWMKDVJNYNZGCG-SECBINFHSA-N -1 3 351.881 0.890 10 0 FCAEHM CC(=O)Nc1ccc([O-])c(C(=O)NCCCN2CCCS2(=O)=O)c1 ZINC000586763155 491732010 /nfs/dbraw/zinc/73/20/10/491732010.db2.gz ZSYFRLGVORRGOG-UHFFFAOYSA-N -1 3 355.416 0.506 10 0 FCAEHM Cn1cc(NC(=O)NCc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)ccc1=O ZINC000586834143 491733628 /nfs/dbraw/zinc/73/36/28/491733628.db2.gz YDDPLIFOCUNAGG-SFHVURJKSA-N -1 3 369.381 0.762 10 0 FCAEHM COCCO[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C ZINC000581061179 491757616 /nfs/dbraw/zinc/75/76/16/491757616.db2.gz SSSJZHSYYMWWKG-BFHYXJOUSA-N -1 3 373.475 0.879 10 0 FCAEHM C[C@H]1CCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2N)C[C@H]1C(=O)OC(C)(C)C ZINC000581075970 491758391 /nfs/dbraw/zinc/75/83/91/491758391.db2.gz WEMFKSGYRQJDGA-DTWKUNHWSA-N -1 3 352.391 0.910 10 0 FCAEHM COC(=O)COc1ccc(C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000581864798 491787984 /nfs/dbraw/zinc/78/79/84/491787984.db2.gz VCGHDDFZDMWZSI-QGZVFWFLSA-N -1 3 361.354 0.053 10 0 FCAEHM CNC(=O)[C@H]1CCCN1C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000591171694 491797792 /nfs/dbraw/zinc/79/77/92/491797792.db2.gz YFXHCBOACJTQPH-CMPLNLGQSA-N -1 3 357.407 0.230 10 0 FCAEHM Cc1cccn2c1ncc(C(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1)c2=O ZINC000582306521 491806797 /nfs/dbraw/zinc/80/67/97/491806797.db2.gz RYXXZFLNLRNOBW-LBPRGKRZSA-N -1 3 353.386 0.521 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)[C@@H](C)CN1CCO ZINC000582475123 491813894 /nfs/dbraw/zinc/81/38/94/491813894.db2.gz GQTZIYMHEHGASP-QHRIQVFBSA-N -1 3 374.441 0.268 10 0 FCAEHM COC(=O)c1csc(S(=O)(=O)[N-]CC(C)(C)[C@@]2(O)CCOC2)c1 ZINC000592088510 491831306 /nfs/dbraw/zinc/83/13/06/491831306.db2.gz XTWSRRWQHJMGGL-CQSZACIVSA-N -1 3 363.457 0.991 10 0 FCAEHM COC(=O)c1c2c(sc1[N-]C(=O)C(=O)N[C@@H]1CCOC1)COCC2 ZINC000591876284 491825272 /nfs/dbraw/zinc/82/52/72/491825272.db2.gz PSVUFNINUKVPME-MRVPVSSYSA-N -1 3 354.384 0.451 10 0 FCAEHM CC(C)(C)OC(=O)[C@@](C)(O)C[N-]S(=O)(=O)CCC[C@H]1CCOC1 ZINC000592045698 491829311 /nfs/dbraw/zinc/82/93/11/491829311.db2.gz CMOCQZLFPUFYBB-WFASDCNBSA-N -1 3 351.465 0.815 10 0 FCAEHM COCC[C@@H]([N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C)C(=O)OC ZINC000592052618 491829621 /nfs/dbraw/zinc/82/96/21/491829621.db2.gz SBNVFLOBIGQFAU-SNVBAGLBSA-N -1 3 362.404 0.146 10 0 FCAEHM COC(=O)[C@H](CC1CC1)[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000592057408 491829912 /nfs/dbraw/zinc/82/99/12/491829912.db2.gz MCIKOLRRWZFWRC-NSHDSACASA-N -1 3 358.416 0.910 10 0 FCAEHM COC(=O)[C@@H](CC(C)(C)C)[N-]S(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000592074855 491830281 /nfs/dbraw/zinc/83/02/81/491830281.db2.gz FWWHCTBTQGRTOP-LLVKDONJSA-N -1 3 372.509 0.165 10 0 FCAEHM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(=O)OC ZINC000592075254 491830544 /nfs/dbraw/zinc/83/05/44/491830544.db2.gz JMJXNNSNFNUYHV-NWDGAFQWSA-N -1 3 364.464 0.826 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)c1cc2c(cn1)OCCO2 ZINC000582900894 491831365 /nfs/dbraw/zinc/83/13/65/491831365.db2.gz FYUKQCHJWILWCW-UHFFFAOYSA-N -1 3 369.424 0.623 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]CCc1nnc2n1CCC2 ZINC000583111760 491838404 /nfs/dbraw/zinc/83/84/04/491838404.db2.gz JQEQIMGKGBFQBQ-UHFFFAOYSA-N -1 3 368.415 0.742 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)nc1=N ZINC000583132138 491838658 /nfs/dbraw/zinc/83/86/58/491838658.db2.gz NEKMBAUIEXZWHA-CABCVRRESA-N -1 3 368.441 0.940 10 0 FCAEHM COCCN(C(=O)CC[N-]S(=O)(=O)c1cccs1)[C@H]1CCOC1 ZINC000583668349 491849724 /nfs/dbraw/zinc/84/97/24/491849724.db2.gz LXGIYVIWXXPBGC-LBPRGKRZSA-N -1 3 362.473 0.680 10 0 FCAEHM COC(=O)CCS(=O)(=O)[N-]c1ccc(F)c(N2C(=O)CCC2=O)c1 ZINC000584323601 491862977 /nfs/dbraw/zinc/86/29/77/491862977.db2.gz WOGDBZFTSMXRGI-UHFFFAOYSA-N -1 3 358.347 0.784 10 0 FCAEHM COC(=O)c1nscc1S(=O)(=O)[N-][C@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000594851042 491866997 /nfs/dbraw/zinc/86/69/97/491866997.db2.gz ZCUXQALVJHFMKF-YUMQZZPRSA-N -1 3 368.458 0.174 10 0 FCAEHM COC(=O)c1occc1C[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000594860115 491867346 /nfs/dbraw/zinc/86/73/46/491867346.db2.gz LJFABXSGOGWEQJ-NSHDSACASA-N -1 3 355.372 0.703 10 0 FCAEHM COC(=O)c1nscc1S(=O)(=O)[N-]Cc1nccc(OC)c1F ZINC000594857960 491867447 /nfs/dbraw/zinc/86/74/47/491867447.db2.gz QQDSXGJRSCXPEJ-UHFFFAOYSA-N -1 3 361.376 0.951 10 0 FCAEHM COC(=O)[C@](C)(CCF)[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F ZINC000594866520 491868034 /nfs/dbraw/zinc/86/80/34/491868034.db2.gz QUZOVOIIUPLIQE-ZDUSSCGKSA-N -1 3 364.326 0.830 10 0 FCAEHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCC[C@@](CO)(OC)C1 ZINC000595123834 491886106 /nfs/dbraw/zinc/88/61/06/491886106.db2.gz FPTKWMGNXBMSTC-MRXNPFEDSA-N -1 3 370.427 0.782 10 0 FCAEHM O=C(c1ccc2[nH]c(=O)n(C3CC3)c2c1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000611957098 491885347 /nfs/dbraw/zinc/88/53/47/491885347.db2.gz UHWYIHRQTWMAAZ-CYBMUJFWSA-N -1 3 355.354 0.453 10 0 FCAEHM Cc1ccc([C@@H](CN2CCOCC2)NC(=O)CN2CC(=O)[N-]C2=O)cc1 ZINC000600938131 491889559 /nfs/dbraw/zinc/88/95/59/491889559.db2.gz BQJYLOGGHKNYGH-OAHLLOKOSA-N -1 3 360.414 0.036 10 0 FCAEHM CCOC(=O)[C@H](CCC(C)(C)C)[N-]S(=O)(=O)C[C@H]1CN(C)CCO1 ZINC000601391626 491911942 /nfs/dbraw/zinc/91/19/42/491911942.db2.gz SECCFZDNGJSUGH-KGLIPLIRSA-N -1 3 364.508 0.994 10 0 FCAEHM CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)CN1CC(=O)[N-]C1=O)O[C@@H](C)C2 ZINC000601004718 491893016 /nfs/dbraw/zinc/89/30/16/491893016.db2.gz NEPCADNRLSDWRO-JKOKRWQUSA-N -1 3 373.409 0.933 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-]CC(=O)N(C)Cc2ccccc2)CC1 ZINC000601311112 491903492 /nfs/dbraw/zinc/90/34/92/491903492.db2.gz YIISMPKKHWSWRL-UHFFFAOYSA-N -1 3 354.428 0.518 10 0 FCAEHM O=C(Nc1cc(I)ccc1[O-])C1CS(=O)(=O)C1 ZINC000601377244 491910350 /nfs/dbraw/zinc/91/03/50/491910350.db2.gz BCWBGARVZMXOKO-UHFFFAOYSA-N -1 3 367.164 0.980 10 0 FCAEHM COC(=O)C[C@](C)([N-]S(=O)(=O)C[C@H]1CN(C)CCO1)c1ccccn1 ZINC000601395293 491912642 /nfs/dbraw/zinc/91/26/42/491912642.db2.gz BIPPNNNHWBPRQN-CJNGLKHVSA-N -1 3 371.459 0.110 10 0 FCAEHM Cn1ccnc1COCC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000612381992 491913566 /nfs/dbraw/zinc/91/35/66/491913566.db2.gz KOXYTMNBQODYIU-UHFFFAOYSA-N -1 3 358.398 0.627 10 0 FCAEHM COC(=O)[C@H](Cc1ccncc1)[N-]S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000601417827 491916110 /nfs/dbraw/zinc/91/61/10/491916110.db2.gz DKPLGEOTARBCER-OBJOEFQTSA-N -1 3 357.432 0.109 10 0 FCAEHM CC[C@H](C)C[C@@H]([N-]S(=O)(=O)CCCN1CCN(C)CC1)C(=O)OC ZINC000601451723 491921478 /nfs/dbraw/zinc/92/14/78/491921478.db2.gz KAHVFVDGDLHSHC-LSDHHAIUSA-N -1 3 363.524 0.521 10 0 FCAEHM COC(=O)CCN1CCC[C@H](N2CCC(c3n[nH]c(=O)[n-]3)CC2)C1=O ZINC000595465063 491933136 /nfs/dbraw/zinc/93/31/36/491933136.db2.gz MZQXHPIVZUXZPQ-LBPRGKRZSA-N -1 3 351.407 0.244 10 0 FCAEHM CC(C)(C)n1nnc(C(=O)Nc2ccc(C[C@H]3NC(=O)[N-]C3=O)cc2)n1 ZINC000613195057 491972000 /nfs/dbraw/zinc/97/20/00/491972000.db2.gz FIVAXKXXPONVQC-LLVKDONJSA-N -1 3 357.374 0.431 10 0 FCAEHM COc1cc(=NC(=O)N=c2ccn(CC(=O)OC(C)(C)C)[nH]2)[n-]n1C ZINC000596843092 492002311 /nfs/dbraw/zinc/00/23/11/492002311.db2.gz FRIKJBHFVQUBNG-UHFFFAOYSA-N -1 3 350.379 0.455 10 0 FCAEHM CC1[C@H](C(=O)NCc2ncccc2[O-])[C@H]1C(=O)NCc1ncccc1O ZINC000614256381 492021256 /nfs/dbraw/zinc/02/12/56/492021256.db2.gz ZFMPVIORCGPGHY-HOTGVXAUSA-N -1 3 356.382 0.703 10 0 FCAEHM O=C(NC[C@H]1CN2CCN1CCC2)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000614504680 492034092 /nfs/dbraw/zinc/03/40/92/492034092.db2.gz XZHKCAIUFNULIR-LBPRGKRZSA-N -1 3 362.380 0.926 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(C(=O)[C@H](OC)[C@@H]3CCOC3)CC2)n[n-]1 ZINC000597573607 492048478 /nfs/dbraw/zinc/04/84/78/492048478.db2.gz GKESGCARYJFPBQ-CHWSQXEVSA-N -1 3 366.418 0.739 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(C(=O)[C@H](OC)[C@@H]3CCOC3)CC2)[n-]1 ZINC000597573607 492048481 /nfs/dbraw/zinc/04/84/81/492048481.db2.gz GKESGCARYJFPBQ-CHWSQXEVSA-N -1 3 366.418 0.739 10 0 FCAEHM COc1cccc(S([O-])=CC(=O)N2CCC[C@](O)(CN(C)C)C2)c1 ZINC000597586737 492049822 /nfs/dbraw/zinc/04/98/22/492049822.db2.gz PHMFIPKSUDZJMR-BXKMTCNYSA-N -1 3 354.472 0.718 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCOC[C@@H]1CCCO1 ZINC000604345690 492057404 /nfs/dbraw/zinc/05/74/04/492057404.db2.gz KFHYZBKCGIPQAG-STQMWFEESA-N -1 3 374.434 0.804 10 0 FCAEHM COc1cc(F)ccc1N1CCN(C(=O)CC[C@H]2NC(=O)[N-]C2=O)CC1 ZINC000604354269 492058179 /nfs/dbraw/zinc/05/81/79/492058179.db2.gz OZYFUTJPOXWYOW-GFCCVEGCSA-N -1 3 364.377 0.471 10 0 FCAEHM CCOC(=O)C[C@H](CO)NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000597677266 492058826 /nfs/dbraw/zinc/05/88/26/492058826.db2.gz GXZBDZSQOBCLCA-SECBINFHSA-N -1 3 354.309 0.850 10 0 FCAEHM CCOC(=O)[C@@H](CNC(=O)CC[C@@H]1NC(=O)[N-]C1=O)Cc1ccccc1 ZINC000604471502 492061853 /nfs/dbraw/zinc/06/18/53/492061853.db2.gz ZWLPJZSMWMXCLR-KGLIPLIRSA-N -1 3 361.398 0.513 10 0 FCAEHM CN1CC[C@@H](C(=O)Nc2nnc(-c3ccc4ccccc4n3)[n-]2)S1(=O)=O ZINC000615124199 492074923 /nfs/dbraw/zinc/07/49/23/492074923.db2.gz UBNQLCABVIUZIP-ZDUSSCGKSA-N -1 3 372.410 0.992 10 0 FCAEHM CN1CC[C@@H](C(=O)Nc2nc(-c3ccc4ccccc4n3)n[n-]2)S1(=O)=O ZINC000615124199 492074924 /nfs/dbraw/zinc/07/49/24/492074924.db2.gz UBNQLCABVIUZIP-ZDUSSCGKSA-N -1 3 372.410 0.992 10 0 FCAEHM CN1CC[C@@H](C(=O)Nc2n[n-]c(-c3ccc4ccccc4n3)n2)S1(=O)=O ZINC000615124199 492074925 /nfs/dbraw/zinc/07/49/25/492074925.db2.gz UBNQLCABVIUZIP-ZDUSSCGKSA-N -1 3 372.410 0.992 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@]2(COC)C(=O)OC)c(C)o1 ZINC000597959576 492075627 /nfs/dbraw/zinc/07/56/27/492075627.db2.gz UKBOTSOZORIZQD-OAHLLOKOSA-N -1 3 374.415 0.290 10 0 FCAEHM COC(=O)CN(C(=O)C[N-]S(=O)(=O)c1cn(C)cn1)C1CCCCC1 ZINC000598002226 492077502 /nfs/dbraw/zinc/07/75/02/492077502.db2.gz AXWLNHUWJZUHHJ-UHFFFAOYSA-N -1 3 372.447 0.033 10 0 FCAEHM CCC[C@H](C(=O)OCC)n1ccc(NC(=O)CC[C@H]2NC(=O)[N-]C2=O)n1 ZINC000598111450 492083883 /nfs/dbraw/zinc/08/38/83/492083883.db2.gz HQQQCNPQKBRLTK-GHMZBOCLSA-N -1 3 365.390 0.714 10 0 FCAEHM C[C@@H](CN1CCCC1=O)[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000615293108 492085120 /nfs/dbraw/zinc/08/51/20/492085120.db2.gz MKBSXKRKDIKLPD-NSHDSACASA-N -1 3 360.457 0.379 10 0 FCAEHM CC(C)(C)OC(=O)CCC1CCN(C(=O)CN2CC(=O)[N-]C2=O)CC1 ZINC000598146394 492085459 /nfs/dbraw/zinc/08/54/59/492085459.db2.gz NZLNINVBSCUHIN-UHFFFAOYSA-N -1 3 353.419 0.899 10 0 FCAEHM O=C(c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)N1CC(O)(CO)C1 ZINC000615428040 492090446 /nfs/dbraw/zinc/09/04/46/492090446.db2.gz GPRFOANQGYLLSE-UHFFFAOYSA-N -1 3 358.272 0.606 10 0 FCAEHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CC(O)(CO)C1 ZINC000615432657 492090483 /nfs/dbraw/zinc/09/04/83/492090483.db2.gz IBINUJGKRZLPDD-QGZVFWFLSA-N -1 3 370.405 0.819 10 0 FCAEHM CCOC(=O)C12CC(C1)CN2C(=O)c1ccc(S(=O)(=O)[N-]C)nc1 ZINC000598442933 492098514 /nfs/dbraw/zinc/09/85/14/492098514.db2.gz RQXBAMYSAVAVSC-UHFFFAOYSA-N -1 3 353.400 0.157 10 0 FCAEHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]CCC2CS(=O)(=O)C2)c1 ZINC000615747500 492100989 /nfs/dbraw/zinc/10/09/89/492100989.db2.gz QBRZRZBNAODZIC-UHFFFAOYSA-N -1 3 365.404 0.325 10 0 FCAEHM CC(C)(C)OC(=O)[C@@](C)(NC(=O)CN1CC(=O)[N-]C1=O)c1ccccc1 ZINC000598506045 492102323 /nfs/dbraw/zinc/10/23/23/492102323.db2.gz DYJFEKGWHGQVNB-SFHVURJKSA-N -1 3 361.398 0.912 10 0 FCAEHM COC(=O)[C@H]1C[C@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000598518521 492102471 /nfs/dbraw/zinc/10/24/71/492102471.db2.gz MAFVVYNMFKOHNH-DCAQKATOSA-N -1 3 358.391 0.560 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)CN(C)C(=O)c2cccs2)[n-]1 ZINC000615920267 492107829 /nfs/dbraw/zinc/10/78/29/492107829.db2.gz QIDHHDMPYHELLE-UHFFFAOYSA-N -1 3 351.388 0.431 10 0 FCAEHM COC(=O)[C@H](C)CS(=O)(=O)[N-][C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC000598624552 492109841 /nfs/dbraw/zinc/10/98/41/492109841.db2.gz IXBJVJVQKDUXTG-ZWNOBZJWSA-N -1 3 361.441 0.385 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)[C@@H]2CCCCN2C(=O)C(C)C)[n-]1 ZINC000616029952 492115291 /nfs/dbraw/zinc/11/52/91/492115291.db2.gz NZZHGUCKUMETIS-NSHDSACASA-N -1 3 351.407 0.635 10 0 FCAEHM CC1(C)Oc2ccsc2[C@@H](NC(=O)CC[C@H]2NC(=O)[N-]C2=O)[C@@H]1O ZINC000616225232 492121600 /nfs/dbraw/zinc/12/16/00/492121600.db2.gz IEVZJFROJFCWSU-XXFPWJFMSA-N -1 3 353.400 0.426 10 0 FCAEHM C[C@H]1CN(Cc2cccc(NC(=O)C(=O)NCc3nn[n-]n3)c2)C[C@H](C)O1 ZINC000606726784 492128237 /nfs/dbraw/zinc/12/82/37/492128237.db2.gz OAPBABUDQZKIOF-RYUDHWBXSA-N -1 3 373.417 0.064 10 0 FCAEHM C[C@@]1(c2cccc(NC(=O)CNC(=O)c3ccccn3)c2)NC(=O)[N-]C1=O ZINC000606833147 492130537 /nfs/dbraw/zinc/13/05/37/492130537.db2.gz VKZFSLDDAPUPHL-SFHVURJKSA-N -1 3 367.365 0.505 10 0 FCAEHM CS(=O)(=O)[N-]c1cc(NC(=O)CNC(=O)c2ccccn2)ccc1F ZINC000606831137 492130587 /nfs/dbraw/zinc/13/05/87/492130587.db2.gz LOKGKLRHMVUCJC-UHFFFAOYSA-N -1 3 366.374 0.961 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]Cc2csc(N(C)C)n2)on1 ZINC000599247729 492148501 /nfs/dbraw/zinc/14/85/01/492148501.db2.gz FBUKGXWKSSSPJF-UHFFFAOYSA-N -1 3 374.444 0.993 10 0 FCAEHM CO[C@H](CNC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)[C@H]1CCOC1 ZINC000617138334 492156490 /nfs/dbraw/zinc/15/64/90/492156490.db2.gz POOORUGVBQJPPY-WRSAYESZSA-N -1 3 361.398 0.523 10 0 FCAEHM CO[C@H](CNC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)[C@@H]1CCOC1 ZINC000617148490 492156903 /nfs/dbraw/zinc/15/69/03/492156903.db2.gz RVFFUETVPDVMDA-QJPTWQEYSA-N -1 3 362.473 0.583 10 0 FCAEHM CO[C@@H](CNC(=O)CCn1[n-]c(=O)c2ccccc2c1=O)[C@@H]1CCOC1 ZINC000617151520 492157280 /nfs/dbraw/zinc/15/72/80/492157280.db2.gz ZWPCFVXWMMMNLP-DOMZBBRYSA-N -1 3 361.398 0.660 10 0 FCAEHM CCNC(=O)[C@@H]([N-]S(=O)(=O)Cc1cc(C(=O)OCC)no1)C(C)C ZINC000599318694 492159622 /nfs/dbraw/zinc/15/96/22/492159622.db2.gz VYFLCDDIKBEYPV-LBPRGKRZSA-N -1 3 361.420 0.431 10 0 FCAEHM CCCN1C[C@H](C[N-]S(=O)(=O)Cc2cc(C(=O)OCC)no2)CC1=O ZINC000599325342 492160294 /nfs/dbraw/zinc/16/02/94/492160294.db2.gz DNAUEKWFMAOMPW-NSHDSACASA-N -1 3 373.431 0.529 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC[C@@H](Cn2ccnn2)C1 ZINC000617265006 492162130 /nfs/dbraw/zinc/16/21/30/492162130.db2.gz UKXMYYCVLIATHR-VXGBXAGGSA-N -1 3 369.472 0.555 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2c(C(=O)N[C@H](CO)C3CCC3)cc(C3CC3)nc21 ZINC000617300788 492163761 /nfs/dbraw/zinc/16/37/61/492163761.db2.gz HASVTOLVEODBLT-CYBMUJFWSA-N -1 3 358.398 0.802 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](COC)C2CCOCC2)cn1 ZINC000617367587 492165748 /nfs/dbraw/zinc/16/57/48/492165748.db2.gz DDPRILWZKBPQGK-CYBMUJFWSA-N -1 3 357.432 0.161 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CCO[C@](C)(C3CC3)C2)cn1C ZINC000617398561 492166338 /nfs/dbraw/zinc/16/63/38/492166338.db2.gz JHNILSLFOJMDDA-INIZCTEOSA-N -1 3 370.475 0.424 10 0 FCAEHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]C[C@H](O)[C@@H]1CCCO1 ZINC000599392290 492167457 /nfs/dbraw/zinc/16/74/57/492167457.db2.gz PWLITYYFKPZSRY-QWRGUYRKSA-N -1 3 363.819 0.945 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-][C@@H](CCSC)C(N)=O)CCOCC1 ZINC000599405389 492169003 /nfs/dbraw/zinc/16/90/03/492169003.db2.gz RLHNDTCJZCBVOS-NSHDSACASA-N -1 3 354.494 0.099 10 0 FCAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C[C@H]1COCCN1C ZINC000599453597 492174401 /nfs/dbraw/zinc/17/44/01/492174401.db2.gz UZPNNOKTLUXQSE-UWVGGRQHSA-N -1 3 362.370 0.121 10 0 FCAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C[C@@H]1COCCN1C ZINC000599453599 492174465 /nfs/dbraw/zinc/17/44/65/492174465.db2.gz UZPNNOKTLUXQSE-ZJUUUORDSA-N -1 3 362.370 0.121 10 0 FCAEHM Cc1cc(F)cc2c(=O)c(C(=O)NC[C@@]3(OCCO)CCOC3)c[n-]c12 ZINC000617709939 492181700 /nfs/dbraw/zinc/18/17/00/492181700.db2.gz BWIBVCTYCMCLKG-SFHVURJKSA-N -1 3 364.373 0.873 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)NCCO[C@@H]1CC1(F)F ZINC000618123802 492211080 /nfs/dbraw/zinc/21/10/80/492211080.db2.gz RVROZDXCVKVGAF-LLVKDONJSA-N -1 3 352.334 0.644 10 0 FCAEHM CCOC(=O)Cn1ccc2cc(NC(=O)CN3CC(=O)[N-]C3=O)ccc21 ZINC000609549073 492213179 /nfs/dbraw/zinc/21/31/79/492213179.db2.gz DBJVDGYJFZKWKP-UHFFFAOYSA-N -1 3 358.354 0.695 10 0 FCAEHM C[C@H]1CC[C@@H](NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)CS1(=O)=O ZINC000618311556 492222814 /nfs/dbraw/zinc/22/28/14/492222814.db2.gz BEVORKPYMBPQEM-GXFFZTMASA-N -1 3 360.457 0.754 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N[C@H]2C[C@H](Oc3ccccc3)C2)c1 ZINC000618414088 492228166 /nfs/dbraw/zinc/22/81/66/492228166.db2.gz CHDIKZDMCTZCNS-MQMHXKEQSA-N -1 3 364.427 0.425 10 0 FCAEHM CC(C)(C)NS(=O)(=O)CC(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000618685607 492235904 /nfs/dbraw/zinc/23/59/04/492235904.db2.gz GFGLCWVTKZJCSH-UHFFFAOYSA-N -1 3 363.461 0.715 10 0 FCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1c[nH]c(C(C)C)n1 ZINC000618703621 492235915 /nfs/dbraw/zinc/23/59/15/492235915.db2.gz MXMMPORCMSSHJA-VHSXEESVSA-N -1 3 360.436 0.268 10 0 FCAEHM COC[C@]1(C)CN(C(=O)C(=O)[N-]c2sccc2C(=O)OC)CCO1 ZINC000600098209 492244838 /nfs/dbraw/zinc/24/48/38/492244838.db2.gz HQCCRVPBXZTKKH-HNNXBMFYSA-N -1 3 356.400 0.737 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCC(O)(C1CC1)C1CC1 ZINC000619026152 492247674 /nfs/dbraw/zinc/24/76/74/492247674.db2.gz JBVRPOLUPHMNDH-UHFFFAOYSA-N -1 3 372.219 0.379 10 0 FCAEHM Cc1cncc(CCNC(=O)c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)n1 ZINC000619206570 492252823 /nfs/dbraw/zinc/25/28/23/492252823.db2.gz VMPQZSQGZVCFTD-SFHVURJKSA-N -1 3 353.382 0.812 10 0 FCAEHM Cc1cncc(CCNC(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)n1 ZINC000619205883 492252919 /nfs/dbraw/zinc/25/29/19/492252919.db2.gz KHCXSVMBKFJHBL-SFHVURJKSA-N -1 3 353.382 0.812 10 0 FCAEHM Cc1cncc(CCNC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)n1 ZINC000619206751 492252955 /nfs/dbraw/zinc/25/29/55/492252955.db2.gz XJRQDQONDMURIO-LBPRGKRZSA-N -1 3 366.418 0.950 10 0 FCAEHM COC(=O)c1ccc(OC)cc1NC(=O)C(=O)NCc1ncccc1[O-] ZINC000619410582 492262199 /nfs/dbraw/zinc/26/21/99/492262199.db2.gz ZPXLOMGGWUYGGN-UHFFFAOYSA-N -1 3 359.338 0.837 10 0 FCAEHM COC(=O)[C@@H]1CN(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)C[C@@H](C)O1 ZINC000600375090 492265260 /nfs/dbraw/zinc/26/52/60/492265260.db2.gz VTCQKOVRQRPZDI-RNCFNFMXSA-N -1 3 374.390 0.600 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)C(C)(C)O)c(C(=O)OC)s1 ZINC000611020719 492275357 /nfs/dbraw/zinc/27/53/57/492275357.db2.gz DTRSIRWJMWYOFD-SSDOTTSWSA-N -1 3 365.429 0.759 10 0 FCAEHM O=C(NC[C@]1(CO)COCCN1Cc1ccccc1)c1csc(=O)[n-]1 ZINC000619943812 492283954 /nfs/dbraw/zinc/28/39/54/492283954.db2.gz HJFDLELGZWHFCO-KRWDZBQOSA-N -1 3 363.439 0.842 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]CCc2nnnn2C)c(Cl)c1 ZINC000611314242 492285385 /nfs/dbraw/zinc/28/53/85/492285385.db2.gz GGZIRULKTOVITF-UHFFFAOYSA-N -1 3 359.795 0.171 10 0 FCAEHM CC(C)Cc1ccccc1CNC(=O)C(=O)NCc1nc(CN)cc(=O)[n-]1 ZINC000627429900 492292935 /nfs/dbraw/zinc/29/29/35/492292935.db2.gz DEYAHTQZJMHTQG-UHFFFAOYSA-N -1 3 371.441 0.772 10 0 FCAEHM C[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)C[C@@H]1C(=O)[O-] ZINC000647501296 492298506 /nfs/dbraw/zinc/29/85/06/492298506.db2.gz RWAUNPYFRLZBPY-ZFWWWQNUSA-N -1 3 360.414 0.299 10 0 FCAEHM CN(C)S(=O)(=O)N1CCN(C(=O)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000620395492 492306397 /nfs/dbraw/zinc/30/63/97/492306397.db2.gz QAXVIXWGFPDKAQ-UHFFFAOYSA-N -1 3 367.471 0.835 10 0 FCAEHM C[C@]1(c2cccc(C(=O)N3CCc4nccnc4C3)c2)NC(=O)[N-]C1=O ZINC000620421014 492309125 /nfs/dbraw/zinc/30/91/25/492309125.db2.gz WXOIXUCVHIPGHF-GOSISDBHSA-N -1 3 351.366 0.730 10 0 FCAEHM CC1(C)OCC[C@@H]1CNC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000620504706 492316646 /nfs/dbraw/zinc/31/66/46/492316646.db2.gz CGJRQYCINNELPK-MRVPVSSYSA-N -1 3 360.208 0.643 10 0 FCAEHM CO[C@@H]1CN(C(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)[C@](C)(CO)C1 ZINC000634064088 492318366 /nfs/dbraw/zinc/31/83/66/492318366.db2.gz RELUXYMZZDTVBZ-SUNKGSAMSA-N -1 3 362.473 0.413 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N(C)[C@@H]1CCCCN(C)C1=O ZINC000634143014 492322024 /nfs/dbraw/zinc/32/20/24/492322024.db2.gz JVZUEHOVVZLMMQ-NWDGAFQWSA-N -1 3 373.500 0.884 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1cc(C(N)=O)n(C)c1 ZINC000641942848 492323978 /nfs/dbraw/zinc/32/39/78/492323978.db2.gz NUQGZTHHSXBHAM-VIFPVBQESA-N -1 3 368.390 0.569 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CC[C@H]1C(F)(F)F ZINC000647752618 492355346 /nfs/dbraw/zinc/35/53/46/492355346.db2.gz BBUPGXVMENPRQA-LURJTMIESA-N -1 3 356.098 0.875 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(N3CCCOCC3)CC2)o1 ZINC000627739066 492370697 /nfs/dbraw/zinc/37/06/97/492370697.db2.gz VROCSZNFVBOSSQ-UHFFFAOYSA-N -1 3 371.459 0.515 10 0 FCAEHM CN1C(=O)CO[C@H](C(=O)Nc2nnc(C(F)(F)F)[n-]2)[C@H]1c1cccnc1 ZINC000621443739 492383862 /nfs/dbraw/zinc/38/38/62/492383862.db2.gz RFRGMMYEMOBXJY-ZJUUUORDSA-N -1 3 370.291 0.756 10 0 FCAEHM CN1C(=O)CO[C@H](C(=O)Nc2nc(C(F)(F)F)n[n-]2)[C@H]1c1cccnc1 ZINC000621443739 492383867 /nfs/dbraw/zinc/38/38/67/492383867.db2.gz RFRGMMYEMOBXJY-ZJUUUORDSA-N -1 3 370.291 0.756 10 0 FCAEHM CO[C@@](C)(CO)CNC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000655210465 492414592 /nfs/dbraw/zinc/41/45/92/492414592.db2.gz QCOFJTWUIDOPEF-GOSISDBHSA-N -1 3 360.414 0.587 10 0 FCAEHM CO[C@](C)(CO)CNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000655211089 492414617 /nfs/dbraw/zinc/41/46/17/492414617.db2.gz VGCXDUMJFMMKBG-NSHDSACASA-N -1 3 356.853 0.193 10 0 FCAEHM COc1c(C)cccc1CNC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000655248346 492420958 /nfs/dbraw/zinc/42/09/58/492420958.db2.gz GNBKQLUMFKNTRI-UHFFFAOYSA-N -1 3 352.416 0.332 10 0 FCAEHM Cc1ccc2[n-]cc(C(=O)N3CCN(c4nncn4C)CC3)c(=O)c2c1 ZINC000655290423 492424427 /nfs/dbraw/zinc/42/44/27/492424427.db2.gz XMGCJQYDAZVRIE-UHFFFAOYSA-N -1 3 352.398 0.927 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)N2CCN(c3nncn3C)CC2)c([O-])c1 ZINC000655289710 492424656 /nfs/dbraw/zinc/42/46/56/492424656.db2.gz UOYSJQNALJIRIA-UHFFFAOYSA-N -1 3 372.429 0.298 10 0 FCAEHM COC[C@@H](CC(C)(C)C)NC(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000655304156 492433050 /nfs/dbraw/zinc/43/30/50/492433050.db2.gz VSTVBHMHQDKUAD-GFCCVEGCSA-N -1 3 360.480 0.574 10 0 FCAEHM CC[C@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1)[C@H]1CCCCO1 ZINC000655343359 492436612 /nfs/dbraw/zinc/43/66/12/492436612.db2.gz ABVLDAUTDJBWLO-QWHCGFSZSA-N -1 3 358.464 0.471 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NC[C@@H]1C[C@H]1c1cccnc1 ZINC000621992685 492438095 /nfs/dbraw/zinc/43/80/95/492438095.db2.gz DZKXYBOAINDKQP-KBPBESRZSA-N -1 3 364.427 0.885 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CC2(CCC2)OC[C@H]1C ZINC000622146598 492459582 /nfs/dbraw/zinc/45/95/82/492459582.db2.gz ZNMSNWGODUGNMI-SNVBAGLBSA-N -1 3 357.432 0.740 10 0 FCAEHM Cn1nnc2c1CC[C@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)C2 ZINC000655650375 492472906 /nfs/dbraw/zinc/47/29/06/492472906.db2.gz COQAGXCGLCVAJX-JTQLQIEISA-N -1 3 370.456 0.054 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC(C)(CC(F)F)C2)cn1C ZINC000649019995 492484014 /nfs/dbraw/zinc/48/40/14/492484014.db2.gz UYMUWEUNEQHJCH-UHFFFAOYSA-N -1 3 364.418 0.901 10 0 FCAEHM Cn1cnnc1N1CCN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)CC1 ZINC000655908118 492486253 /nfs/dbraw/zinc/48/62/53/492486253.db2.gz RYSRSKKNHGOWBG-UHFFFAOYSA-N -1 3 355.358 0.053 10 0 FCAEHM CNC(=O)NC[C@@H]1CN(C(=O)c2cc([O-])cc(Br)c2)CCO1 ZINC000628549990 492509278 /nfs/dbraw/zinc/50/92/78/492509278.db2.gz LXWFJUWESLNDJD-GFCCVEGCSA-N -1 3 372.219 0.925 10 0 FCAEHM CC(C)[C@H](CNC(=O)C(=O)N1CCCC[C@@H](N2CCCC2)C1)C(=O)[O-] ZINC000656011377 492515579 /nfs/dbraw/zinc/51/55/79/492515579.db2.gz ZNWPAIPAVMZVHC-CABCVRRESA-N -1 3 353.463 0.936 10 0 FCAEHM CN1C2(CCC2)COC[C@]1(CO)CNC(=O)Cc1ccc([O-])c(F)c1 ZINC000628577159 492520839 /nfs/dbraw/zinc/52/08/39/492520839.db2.gz SGMFITOMDQKDBU-GOSISDBHSA-N -1 3 352.406 0.806 10 0 FCAEHM CN1Cc2ccccc2[C@H]([N-]S(=O)(=O)CCCS(C)(=O)=O)C1=O ZINC000623237563 492531900 /nfs/dbraw/zinc/53/19/00/492531900.db2.gz CIWRNRQKRAVIPO-ZDUSSCGKSA-N -1 3 360.457 0.054 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N[C@@H](c2ccccn2)C2CCC2)c1 ZINC000628664231 492533455 /nfs/dbraw/zinc/53/34/55/492533455.db2.gz RCBSGBBRVIJSCA-MRXNPFEDSA-N -1 3 363.443 0.751 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H]1CCn2cncc2C1 ZINC000623299171 492541287 /nfs/dbraw/zinc/54/12/87/492541287.db2.gz RUSBOMHCZANQIX-NWDGAFQWSA-N -1 3 366.418 0.820 10 0 FCAEHM CCn1c(=O)[n-]c(=O)c2c(C(=O)N[C@H]3C[C@H](C(N)=O)C3)cc(C3CC3)nc21 ZINC000628781281 492546451 /nfs/dbraw/zinc/54/64/51/492546451.db2.gz MFHYDLDTZWWJRV-MGCOHNPYSA-N -1 3 371.397 0.388 10 0 FCAEHM CC(C)Nc1nc(NCCO)nc(N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)n1 ZINC000649404003 492551788 /nfs/dbraw/zinc/55/17/88/492551788.db2.gz YIGJBABWGNUEEX-UONOGXRCSA-N -1 3 372.429 0.087 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N[C@]2(CO)CCCC(C)(C)C2)c1 ZINC000628806824 492552493 /nfs/dbraw/zinc/55/24/93/492552493.db2.gz PWICAVFDRQUFAP-OAHLLOKOSA-N -1 3 358.464 0.146 10 0 FCAEHM CCn1c(=O)[n-]c(=O)c2c(C(=O)N[C@H]3COCCC3=O)cc(C3CC3)nc21 ZINC000628869717 492557031 /nfs/dbraw/zinc/55/70/31/492557031.db2.gz BOAGURCGECQUJP-LBPRGKRZSA-N -1 3 372.381 0.482 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)NCC(=O)C2(C)CCCC2)cn1C ZINC000629001184 492573363 /nfs/dbraw/zinc/57/33/63/492573363.db2.gz VSPBHFODRBGWOD-UHFFFAOYSA-N -1 3 356.448 0.272 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2C[C@@H]3CCC[C@]3(CO)C2)cn1C ZINC000629088705 492577217 /nfs/dbraw/zinc/57/72/17/492577217.db2.gz WDPCIXBQWGMWGL-XJKSGUPXSA-N -1 3 370.475 0.018 10 0 FCAEHM Cc1n[nH]c(C)c1[N-]S(=O)(=O)CCCS(=O)(=O)N1CC(C)(F)C1 ZINC000656375360 492616117 /nfs/dbraw/zinc/61/61/17/492616117.db2.gz FUNIZZQYFZLPBA-UHFFFAOYSA-N -1 3 368.456 0.532 10 0 FCAEHM O=C(NCC[C@]1(O)CCOC1)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1 ZINC000650109125 492615085 /nfs/dbraw/zinc/61/50/85/492615085.db2.gz LZPKIXCNJXUKJM-DYVFJYSZSA-N -1 3 362.386 0.100 10 0 FCAEHM Cc1noc([C@@H]2OCC[C@@H]2NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)n1 ZINC000629479806 492635603 /nfs/dbraw/zinc/63/56/03/492635603.db2.gz CUGSWZNOAHAKTB-NWDGAFQWSA-N -1 3 357.326 0.913 10 0 FCAEHM Cc1ccc2[n-]cc(C(=O)NC3CN(S(=O)(=O)N(C)C)C3)c(=O)c2c1 ZINC000629538954 492641883 /nfs/dbraw/zinc/64/18/83/492641883.db2.gz UTBANIHSDMWBSW-UHFFFAOYSA-N -1 3 364.427 0.057 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]c1cc(C)nn1-c1ncccn1)[C@H]1CCOC1 ZINC000656728691 492646704 /nfs/dbraw/zinc/64/67/04/492646704.db2.gz QVOLQJVLRRIBJA-STQMWFEESA-N -1 3 367.431 0.764 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]c1cccc(-n2cnnn2)c1)[C@@H]1CCOC1 ZINC000656731402 492647256 /nfs/dbraw/zinc/64/72/56/492647256.db2.gz OJDQVFMAADMVRS-BXUZGUMPSA-N -1 3 353.404 0.456 10 0 FCAEHM CS(=O)(=O)NC[C@@H]1COCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000629571396 492649428 /nfs/dbraw/zinc/64/94/28/492649428.db2.gz ULHYLRXSLBFYCN-CYBMUJFWSA-N -1 3 374.434 0.631 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@](C)(C(N)=O)c1ccccc1)[C@@H]1CCOC1 ZINC000656889345 492659551 /nfs/dbraw/zinc/65/95/51/492659551.db2.gz DWIGBQLUEJDGME-XPKDYRNWSA-N -1 3 356.444 0.358 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@H]1CCN(c2ccccc2)C1=O)[C@@H]1CCOC1 ZINC000656896911 492662044 /nfs/dbraw/zinc/66/20/44/492662044.db2.gz FNCCZECSDBPGPP-VNQPRFMTSA-N -1 3 368.455 0.763 10 0 FCAEHM O=C(NCc1ncccc1[O-])N[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000624602238 492664024 /nfs/dbraw/zinc/66/40/24/492664024.db2.gz HAOLEGUBXYHLRS-LLVKDONJSA-N -1 3 354.374 0.303 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]CC(=O)N(C)C1CCCCC1)[C@H]1CCOC1 ZINC000656926414 492669937 /nfs/dbraw/zinc/66/99/37/492669937.db2.gz DSSHVBOKJIXQIC-DZGCQCFKSA-N -1 3 362.492 0.748 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]CC1(S(C)(=O)=O)CCCC1)[C@H]1CCOC1 ZINC000656989602 492688468 /nfs/dbraw/zinc/68/84/68/492688468.db2.gz FIYGCJCOAGLYRW-QWHCGFSZSA-N -1 3 369.505 0.315 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNS(=O)(=O)[C@@H]2COC(C)(C)C2)s1 ZINC000624829384 492688900 /nfs/dbraw/zinc/68/89/00/492688900.db2.gz MNUAOXYJXXVLJK-JTQLQIEISA-N -1 3 368.502 0.643 10 0 FCAEHM C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]C1(c2noc(C(F)F)n2)CCC1 ZINC000644290752 492692801 /nfs/dbraw/zinc/69/28/01/492692801.db2.gz YLMJPISRCRMHGY-ZETCQYMHSA-N -1 3 352.363 0.783 10 0 FCAEHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H]1CCNC1=O ZINC000657031815 492700146 /nfs/dbraw/zinc/70/01/46/492700146.db2.gz LSJAAUGRLCTWBI-QMMMGPOBSA-N -1 3 367.196 0.764 10 0 FCAEHM O=C1NCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000657030573 492700812 /nfs/dbraw/zinc/70/08/12/492700812.db2.gz BNSXADLPUGQYLL-PWSUYJOCSA-N -1 3 374.846 0.922 10 0 FCAEHM COC[C@@H](CC[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)OC ZINC000657054567 492704819 /nfs/dbraw/zinc/70/48/19/492704819.db2.gz YCIWESUIWSTSRK-SNVBAGLBSA-N -1 3 369.436 0.559 10 0 FCAEHM C[C@]1(c2ccc(C(=O)N[C@H]3CCN(C4CCC4)C3=O)cc2)NC(=O)[N-]C1=O ZINC000629923548 492705716 /nfs/dbraw/zinc/70/57/16/492705716.db2.gz DMCJOEWRYPVEHA-IFXJQAMLSA-N -1 3 370.409 0.624 10 0 FCAEHM COC[C@@H]([N-]S(=O)(=O)c1cnc(NC(C)=O)s1)C1CCOCC1 ZINC000657061793 492706538 /nfs/dbraw/zinc/70/65/38/492706538.db2.gz VPUASMKMWXIBMI-LLVKDONJSA-N -1 3 363.461 0.821 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)N[C@H]1CCN(C2CCC2)C1=O ZINC000629931330 492707080 /nfs/dbraw/zinc/70/70/80/492707080.db2.gz KCDCGOMKEAMBHC-LBPRGKRZSA-N -1 3 371.484 0.686 10 0 FCAEHM CN1c2ccccc2C[C@@H]([N-]S(=O)(=O)CCCN2CCOCC2)C1=O ZINC000657070426 492709053 /nfs/dbraw/zinc/70/90/53/492709053.db2.gz GEXUMIFXTVJATI-OAHLLOKOSA-N -1 3 367.471 0.216 10 0 FCAEHM COCc1ccccc1CS(=O)(=O)[N-]C[C@@]1(OCCO)CCOC1 ZINC000657084892 492711815 /nfs/dbraw/zinc/71/18/15/492711815.db2.gz DAGZSFJMAYMIFF-INIZCTEOSA-N -1 3 359.444 0.420 10 0 FCAEHM CCO[C@@H](CS(=O)(=O)[N-][C@@H]1CCCN(c2ccn(C)n2)C1=O)C1CC1 ZINC000625025150 492712256 /nfs/dbraw/zinc/71/22/56/492712256.db2.gz UHSNHHWLONUGKU-KGLIPLIRSA-N -1 3 370.475 0.650 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCC[C@H]1c1cn[nH]c1 ZINC000630006755 492713363 /nfs/dbraw/zinc/71/33/63/492713363.db2.gz ZOYZBHQJGRYFTC-LBPRGKRZSA-N -1 3 353.404 0.657 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]Cc1cc(C(N)=O)no1)c1ccc(F)cc1 ZINC000625057975 492717513 /nfs/dbraw/zinc/71/75/13/492717513.db2.gz HTGSWCIRIOUQFO-CYBMUJFWSA-N -1 3 357.363 0.720 10 0 FCAEHM CO[C@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000657101416 492720789 /nfs/dbraw/zinc/72/07/89/492720789.db2.gz SFMMDEUNYYOLHK-BDAKNGLRSA-N -1 3 374.362 0.191 10 0 FCAEHM CO[C@H]1CS(=O)(=O)C[C@@H]1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000657101418 492721201 /nfs/dbraw/zinc/72/12/01/492721201.db2.gz SFMMDEUNYYOLHK-IUCAKERBSA-N -1 3 374.362 0.191 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC2(CCC2)OC[C@H]1C ZINC000657105993 492723117 /nfs/dbraw/zinc/72/31/17/492723117.db2.gz UPUQMNSZHMFTTI-GFCCVEGCSA-N -1 3 374.484 0.927 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)NC[C@@H]3CCC[C@H]4C[C@H]43)cnc21 ZINC000657151149 492733770 /nfs/dbraw/zinc/73/37/70/492733770.db2.gz XDSNIYPQPUHMJH-JBLDHEPKSA-N -1 3 364.427 0.749 10 0 FCAEHM CCN1CC[C@H]([N-]S(=O)(=O)C[C@H](Cc2ccc(F)cc2)OC)C1=O ZINC000625195111 492737612 /nfs/dbraw/zinc/73/76/12/492737612.db2.gz XDWICNYVPJYGLO-GJZGRUSLSA-N -1 3 358.435 0.923 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-][C@H](C)C2(S(C)(=O)=O)CC2)CCOCC1 ZINC000625213743 492740170 /nfs/dbraw/zinc/74/01/70/492740170.db2.gz PBNLYUZGLBQCQL-GFCCVEGCSA-N -1 3 369.505 0.457 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-][C@H]2C[C@H]3CCCCN3C2=O)CCOCC1 ZINC000625249020 492745210 /nfs/dbraw/zinc/74/52/10/492745210.db2.gz DOBKYHFCZJSCQX-KGLIPLIRSA-N -1 3 360.476 0.645 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-][C@H](CO)[C@@H]2CCCOC2)CCOCC1 ZINC000625254810 492745970 /nfs/dbraw/zinc/74/59/70/492745970.db2.gz QQGJBNBTEXTCTA-ZIAGYGMSSA-N -1 3 351.465 0.279 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-][C@@H]2CCN(C(C)(C)C)C2=O)CCOCC1 ZINC000625263505 492748063 /nfs/dbraw/zinc/74/80/63/492748063.db2.gz HVSASBQFCLTYPP-CYBMUJFWSA-N -1 3 362.492 0.891 10 0 FCAEHM C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cnnn2-c2ccccc2)CS1(=O)=O ZINC000625284176 492751668 /nfs/dbraw/zinc/75/16/68/492751668.db2.gz UJLYCHFPHZPGDP-NWDGAFQWSA-N -1 3 370.456 0.511 10 0 FCAEHM O=S(=O)(CCCN1CCOCC1)[N-]C[C@H](n1cccn1)C(F)(F)F ZINC000625328335 492756679 /nfs/dbraw/zinc/75/66/79/492756679.db2.gz MWFNTAZIQPFHLT-LBPRGKRZSA-N -1 3 370.397 0.628 10 0 FCAEHM Cc1cc(CS(=O)(=O)[N-]C[C@]2(CO)COCC3(CCC3)N2C)no1 ZINC000625377370 492768453 /nfs/dbraw/zinc/76/84/53/492768453.db2.gz UKQIZSFKFBDCQW-HNNXBMFYSA-N -1 3 359.448 0.018 10 0 FCAEHM Cn1ccnc1C([N-]S(=O)(=O)[C@@H]1COC(C)(C)C1)c1nccn1C ZINC000625377505 492768529 /nfs/dbraw/zinc/76/85/29/492768529.db2.gz IWWWQBZIGMPSOI-NSHDSACASA-N -1 3 353.448 0.730 10 0 FCAEHM O=C(CCc1nnn[n-]1)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000630771256 492774189 /nfs/dbraw/zinc/77/41/89/492774189.db2.gz UVENICVADAIKEU-UHFFFAOYSA-N -1 3 371.489 0.847 10 0 FCAEHM O=C(CCc1nn[n-]n1)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000630771256 492774190 /nfs/dbraw/zinc/77/41/90/492774190.db2.gz UVENICVADAIKEU-UHFFFAOYSA-N -1 3 371.489 0.847 10 0 FCAEHM O=C1N(CC[N-]S(=O)(=O)c2cccs2)C(=O)C23CCC(CC2)N13 ZINC000630975934 492791596 /nfs/dbraw/zinc/79/15/96/492791596.db2.gz AYUYMNPJAYOMRO-UHFFFAOYSA-N -1 3 355.441 0.986 10 0 FCAEHM O=C(CCN=c1cc(-c2ccccc2)n2[n-]cnc2n1)N1CCOCC1 ZINC000631050309 492795440 /nfs/dbraw/zinc/79/54/40/492795440.db2.gz UABYPHHHCXCEFB-UHFFFAOYSA-N -1 3 352.398 0.874 10 0 FCAEHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)CC2(OC)CCOCC2)[C@@]12CCCO2 ZINC000651642466 492798397 /nfs/dbraw/zinc/79/83/97/492798397.db2.gz XMZICNIJDMJGOJ-FMKPAKJESA-N -1 3 363.476 0.828 10 0 FCAEHM CS(=O)(=O)N1CC[C@H](CN=c2cc(-c3ccccc3)n3[n-]cnc3n2)C1 ZINC000631179449 492801770 /nfs/dbraw/zinc/80/17/70/492801770.db2.gz SDLPCONBGRRSLS-CYBMUJFWSA-N -1 3 372.454 0.907 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H](C)[C@@H](O)C(F)(F)F ZINC000644738979 492804275 /nfs/dbraw/zinc/80/42/75/492804275.db2.gz BNVYVPWZIGGFFQ-DKCNOQQISA-N -1 3 372.340 0.920 10 0 FCAEHM COc1ccc(Cn2[n-]nnc2=N[C@H](C)CCN2CCN(C)CC2)cc1 ZINC000631212436 492804561 /nfs/dbraw/zinc/80/45/61/492804561.db2.gz KGFFGTKMNNKIHO-OAHLLOKOSA-N -1 3 359.478 0.590 10 0 FCAEHM CCC(=O)N1CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000644807436 492808760 /nfs/dbraw/zinc/80/87/60/492808760.db2.gz YMDMQTGMYFNKPB-NSHDSACASA-N -1 3 357.407 0.531 10 0 FCAEHM COC1(CS(=O)(=O)[N-][C@@H](C(N)=O)[C@@H](C)c2ccccc2)CCOCC1 ZINC000651713848 492811894 /nfs/dbraw/zinc/81/18/94/492811894.db2.gz GXHCZDQSZGINQC-DZGCQCFKSA-N -1 3 370.471 0.759 10 0 FCAEHM CN(C)S(=O)(=O)N1CC(N=c2cc(-c3ccccc3)n3[n-]cnc3n2)C1 ZINC000631395159 492816883 /nfs/dbraw/zinc/81/68/83/492816883.db2.gz MXXYFBUPSAEWNS-UHFFFAOYSA-N -1 3 373.442 0.116 10 0 FCAEHM CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]CC(=O)C1(C)CCCC1 ZINC000625549872 492817597 /nfs/dbraw/zinc/81/75/97/492817597.db2.gz QTMQEOMUGLYQCE-UHFFFAOYSA-N -1 3 354.494 0.337 10 0 FCAEHM CC(C)n1cnc(=NC(=O)C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)[n-]1 ZINC000651762717 492819076 /nfs/dbraw/zinc/81/90/76/492819076.db2.gz LLHWQXKLIIILQZ-INIZCTEOSA-N -1 3 370.457 0.858 10 0 FCAEHM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)CCc1nnn[n-]1 ZINC000631570562 492824409 /nfs/dbraw/zinc/82/44/09/492824409.db2.gz XAMRJCFGAHZKEM-UHFFFAOYSA-N -1 3 359.434 0.922 10 0 FCAEHM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)CCc1nn[n-]n1 ZINC000631570562 492824413 /nfs/dbraw/zinc/82/44/13/492824413.db2.gz XAMRJCFGAHZKEM-UHFFFAOYSA-N -1 3 359.434 0.922 10 0 FCAEHM C[C@@H](O)[C@H]([N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1)c1ccccc1F ZINC000651794446 492825326 /nfs/dbraw/zinc/82/53/26/492825326.db2.gz ACWOPNXSEOJGSS-OTYXRUKQSA-N -1 3 355.391 0.664 10 0 FCAEHM CC(C)C[C@@H](CN1CCCC1)NC(=O)C(=O)N=c1ncn(C(C)C)[n-]1 ZINC000651831831 492830045 /nfs/dbraw/zinc/83/00/45/492830045.db2.gz JSXYBEZWIHOQJU-AWEZNQCLSA-N -1 3 350.467 0.846 10 0 FCAEHM CCN(Cc1ccccc1)C(=O)C[N-]S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC000631793827 492854296 /nfs/dbraw/zinc/85/42/96/492854296.db2.gz FBZZDVNKSBFQHY-INIZCTEOSA-N -1 3 369.487 0.285 10 0 FCAEHM Cc1cc(C(=O)N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)ccc1-n1cnnn1 ZINC000651979546 492857283 /nfs/dbraw/zinc/85/72/83/492857283.db2.gz YNSNTUCTCQVIRU-CYBMUJFWSA-N -1 3 353.390 0.489 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-][C@@H]2CCN(C3CCC3)C2=O)CCOCC1 ZINC000625691539 492862351 /nfs/dbraw/zinc/86/23/51/492862351.db2.gz MBVIXIUMFQFYAB-CQSZACIVSA-N -1 3 360.476 0.645 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H](F)[C@H](N)C2)c(F)c1 ZINC000658408693 492873120 /nfs/dbraw/zinc/87/31/20/492873120.db2.gz YLWJFORNENAKNT-MWLCHTKSSA-N -1 3 369.415 0.257 10 0 FCAEHM O=S(=O)(C[C@H]1CCC1(F)F)[N-]CCS(=O)(=O)NCC1CCC1 ZINC000631933382 492891084 /nfs/dbraw/zinc/89/10/84/492891084.db2.gz KJQAUTHQNAPVNN-LLVKDONJSA-N -1 3 360.448 0.671 10 0 FCAEHM C[C@@H]1C[C@H]([N-]S(=O)(=O)C[C@@H]2CNCCO2)C(=O)N1c1ccccc1 ZINC000631924264 492886628 /nfs/dbraw/zinc/88/66/28/492886628.db2.gz QRKJUVAXCBXNFL-SNPRPXQTSA-N -1 3 353.444 0.088 10 0 FCAEHM CCN1C[C@@H](S(=O)(=O)[N-][C@@H](Cc2ccccc2)C(=O)N(C)C)CC1=O ZINC000631930293 492890263 /nfs/dbraw/zinc/89/02/63/492890263.db2.gz CRPDXGDQMAPWEX-GJZGRUSLSA-N -1 3 367.471 0.226 10 0 FCAEHM CN1CCO[C@H](CS(=O)(=O)[N-][C@H]2CCN(c3ccccc3)C2=O)C1 ZINC000631935156 492891055 /nfs/dbraw/zinc/89/10/55/492891055.db2.gz QIMJUTRPRRUGNZ-GJZGRUSLSA-N -1 3 353.444 0.042 10 0 FCAEHM O=S(=O)(C[C@H]1CNCCO1)[N-]C[C@@H](OC1CCCC1)C(F)(F)F ZINC000631950684 492896639 /nfs/dbraw/zinc/89/66/39/492896639.db2.gz NSMRNIBUEDDPBD-VXGBXAGGSA-N -1 3 360.398 0.784 10 0 FCAEHM CN1CCO[C@H](CS(=O)(=O)[N-][C@@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000631953394 492897930 /nfs/dbraw/zinc/89/79/30/492897930.db2.gz JJFWVGOHLAWRQF-GXTWGEPZSA-N -1 3 371.434 0.181 10 0 FCAEHM CC(C)N1CC[C@H]([N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)C1=O ZINC000631971436 492900924 /nfs/dbraw/zinc/90/09/24/492900924.db2.gz RSROUHVKCJMVGW-VIFPVBQESA-N -1 3 354.354 0.727 10 0 FCAEHM CN1CCO[C@H](CS(=O)(=O)[N-][C@H](CO)c2cc(F)ccc2F)C1 ZINC000632004283 492908474 /nfs/dbraw/zinc/90/84/74/492908474.db2.gz FEMCNZBYLNKQPJ-SMDDNHRTSA-N -1 3 350.387 0.248 10 0 FCAEHM COc1ccccc1[C@H](CO)[N-]S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000632014847 492911352 /nfs/dbraw/zinc/91/13/52/492911352.db2.gz UAGKZGZCBRGBLI-OCCSQVGLSA-N -1 3 354.428 0.411 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@H](C)CN2CCOCC2)coc1C(=O)N(C)C ZINC000645472136 492911646 /nfs/dbraw/zinc/91/16/46/492911646.db2.gz HSDBQMKSFSVBEU-LLVKDONJSA-N -1 3 359.448 0.289 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CC(=O)N2CCCCC2)coc1C(=O)N(C)C ZINC000645470258 492911818 /nfs/dbraw/zinc/91/18/18/492911818.db2.gz YCDXSIWPEOSWLL-UHFFFAOYSA-N -1 3 357.432 0.581 10 0 FCAEHM CN1CCO[C@@H](CS(=O)(=O)[N-]Cc2nc(C(F)(F)F)cs2)C1 ZINC000632018215 492911855 /nfs/dbraw/zinc/91/18/55/492911855.db2.gz VWOSNCBWZALYTE-MRVPVSSYSA-N -1 3 359.395 0.912 10 0 FCAEHM Cc1cc(N2CC[C@@H]([N-]S(=O)(=O)C[C@@H]3CCC3(F)F)C2=O)n(C)n1 ZINC000632041597 492917813 /nfs/dbraw/zinc/91/78/13/492917813.db2.gz QMVYJXMINLCDNY-WDEREUQCSA-N -1 3 362.402 0.799 10 0 FCAEHM COCCCN(C)CC[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000645565683 492927449 /nfs/dbraw/zinc/92/74/49/492927449.db2.gz SHLCYRAJTNATPS-UHFFFAOYSA-N -1 3 361.464 0.536 10 0 FCAEHM Cn1ccc(N2CCC[C@@H]([N-]S(=O)(=O)CCC[C@H]3CCOC3)C2=O)n1 ZINC000645567247 492928087 /nfs/dbraw/zinc/92/80/87/492928087.db2.gz LZRZWNJGZPQMFC-UONOGXRCSA-N -1 3 370.475 0.652 10 0 FCAEHM Cn1ccc(N2CCC[C@H]([N-]S(=O)(=O)CCC[C@@H]3CCOC3)C2=O)n1 ZINC000645567246 492928525 /nfs/dbraw/zinc/92/85/25/492928525.db2.gz LZRZWNJGZPQMFC-KGLIPLIRSA-N -1 3 370.475 0.652 10 0 FCAEHM CCNC(=O)N1CC[C@H]([N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)C1 ZINC000632101983 492928581 /nfs/dbraw/zinc/92/85/81/492928581.db2.gz BINUCVICJQDVMR-QMMMGPOBSA-N -1 3 369.369 0.521 10 0 FCAEHM NS(=O)(=O)Nc1cccc([N-]S(=O)(=O)CCOCC2CCC2)c1 ZINC000645571573 492930171 /nfs/dbraw/zinc/93/01/71/492930171.db2.gz AVKLCNMKABTQOP-UHFFFAOYSA-N -1 3 363.461 0.860 10 0 FCAEHM CCO[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)C[C@@H](OC)C1CCOCC1 ZINC000645651019 492955031 /nfs/dbraw/zinc/95/50/31/492955031.db2.gz SYKXBFUSEBLDET-RRFJBIMHSA-N -1 3 351.465 0.541 10 0 FCAEHM CCOC1CC(O)(C[N-]S(=O)(=O)C[C@H](OC)C2CCOCC2)C1 ZINC000645683024 492958961 /nfs/dbraw/zinc/95/89/61/492958961.db2.gz BXOCYOKMNVPSMH-SLTAFYQDSA-N -1 3 351.465 0.277 10 0 FCAEHM O=C(Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1)C1(N2CCOCC2)CC1 ZINC000632257699 492960004 /nfs/dbraw/zinc/96/00/04/492960004.db2.gz OGSNHDBKSPQRED-AWEZNQCLSA-N -1 3 358.398 0.240 10 0 FCAEHM O=C(NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2)c1cc(=O)[n-]cn1 ZINC000626322703 492963172 /nfs/dbraw/zinc/96/31/72/492963172.db2.gz DONWJKBGKXHLLN-GJZGRUSLSA-N -1 3 367.409 0.511 10 0 FCAEHM CC[C@H]([N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C)[C@@H](O)C(F)F ZINC000645744496 492969433 /nfs/dbraw/zinc/96/94/33/492969433.db2.gz YFFJVGMFMXGWSV-WCBMZHEXSA-N -1 3 354.375 0.973 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@@H]1CCCC(F)(F)[C@H]1O)C1CCOCC1 ZINC000645761223 492971335 /nfs/dbraw/zinc/97/13/35/492971335.db2.gz CYDHABFACOHSHS-UPJWGTAASA-N -1 3 357.419 0.896 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]C[C@H](CO)c1cccnc1 ZINC000632338134 492976442 /nfs/dbraw/zinc/97/64/42/492976442.db2.gz HYXGCQSAUSQHOK-SNVBAGLBSA-N -1 3 364.349 0.888 10 0 FCAEHM Cn1cc(Br)c(C[N-]S(=O)(=O)c2c[nH]c(=O)s2)n1 ZINC000632410174 492992456 /nfs/dbraw/zinc/99/24/56/492992456.db2.gz YIYVMIYADHOUDD-UHFFFAOYSA-N -1 3 353.223 0.823 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-][C@H](CO)[C@@H]1CCCOC1 ZINC000632458165 493001775 /nfs/dbraw/zinc/00/17/75/493001775.db2.gz YCRFZBLBJLYYKE-PSASIEDQSA-N -1 3 357.354 0.505 10 0 FCAEHM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-][C@H]1CS(=O)(=O)C1(C)C ZINC000632495316 493012212 /nfs/dbraw/zinc/01/22/12/493012212.db2.gz ONXLGSMXPJIDGH-KGLIPLIRSA-N -1 3 361.485 0.739 10 0 FCAEHM COc1ccc([O-])c(S(=O)(=O)N2CCOC3(CCN(C)CC3)C2)c1 ZINC000632504150 493015465 /nfs/dbraw/zinc/01/54/65/493015465.db2.gz VJQFEBWSWQRXOV-UHFFFAOYSA-N -1 3 356.444 0.886 10 0 FCAEHM CCN1C[C@H](C[N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)CC1=O ZINC000632510382 493017451 /nfs/dbraw/zinc/01/74/51/493017451.db2.gz DNIYCBPJPGBULE-QMMMGPOBSA-N -1 3 354.354 0.586 10 0 FCAEHM CCn1c(=O)[n-]c(=O)c2c(C(=O)N[C@H]3C[C@@H](C(N)=O)C3)cc(C3CC3)nc21 ZINC000652797456 493020097 /nfs/dbraw/zinc/02/00/97/493020097.db2.gz MFHYDLDTZWWJRV-AOOOYVTPSA-N -1 3 371.397 0.388 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-]Cc2cc3n(n2)CCCO3)CCOCC1 ZINC000632522937 493020331 /nfs/dbraw/zinc/02/03/31/493020331.db2.gz WPCKBHXDRTVBND-UHFFFAOYSA-N -1 3 359.448 0.671 10 0 FCAEHM CN(C)C[C@H](CO)NC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000646208826 493027489 /nfs/dbraw/zinc/02/74/89/493027489.db2.gz KCKIRPDXYRFMBW-SNVBAGLBSA-N -1 3 368.231 0.943 10 0 FCAEHM CN(C)C[C@@H](CO)NC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000646208825 493027542 /nfs/dbraw/zinc/02/75/42/493027542.db2.gz KCKIRPDXYRFMBW-JTQLQIEISA-N -1 3 368.231 0.943 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC(Cn3cnnc3)CC2)c(C)o1 ZINC000652848963 493029376 /nfs/dbraw/zinc/02/93/76/493029376.db2.gz LWRYKEKBEWEJLI-UHFFFAOYSA-N -1 3 367.431 0.640 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2C[C@H](C)OCC23CCC3)cn1C ZINC000652880395 493031253 /nfs/dbraw/zinc/03/12/53/493031253.db2.gz CCCMZKKVUASEPG-LBPRGKRZSA-N -1 3 370.475 0.567 10 0 FCAEHM CN1CCO[C@@H](CS(=O)(=O)[N-][C@@H](CO)c2ccc(F)cc2F)C1 ZINC000632573085 493031969 /nfs/dbraw/zinc/03/19/69/493031969.db2.gz QLVXUGOMCJPGCV-RISCZKNCSA-N -1 3 350.387 0.248 10 0 FCAEHM CN1C2(CCC2)COC[C@]1(CO)C[N-]S(=O)(=O)C[C@@H]1CCC1(F)F ZINC000632592108 493039005 /nfs/dbraw/zinc/03/90/05/493039005.db2.gz PISBZOQKZSNEOO-GXTWGEPZSA-N -1 3 368.446 0.567 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CC(CN3CCOCC3)C2)cc1 ZINC000646356759 493044205 /nfs/dbraw/zinc/04/42/05/493044205.db2.gz IKNWQRYWTNQKCI-UHFFFAOYSA-N -1 3 353.444 0.462 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)C1CN(C(=O)c2ccccc2)C1)[C@H](O)C(F)(F)F ZINC000632673649 493063577 /nfs/dbraw/zinc/06/35/77/493063577.db2.gz MQEYOBZGPIBPKR-SKDRFNHKSA-N -1 3 366.361 0.742 10 0 FCAEHM O=C(Cc1ccc(-n2ccnc2)cc1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000632796972 493091030 /nfs/dbraw/zinc/09/10/30/493091030.db2.gz KMPQQCYEWKFXTD-GOSISDBHSA-N -1 3 353.382 0.615 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)C2(N3CCOCC3)CC2)ccc1F ZINC000633002317 493101730 /nfs/dbraw/zinc/10/17/30/493101730.db2.gz HXGMKWLLBRYBPR-UHFFFAOYSA-N -1 3 357.407 0.537 10 0 FCAEHM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000646915656 493124708 /nfs/dbraw/zinc/12/47/08/493124708.db2.gz SFBOVUWBTSXOAJ-GXTWGEPZSA-N -1 3 354.414 0.653 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)ccc1F ZINC000646923926 493127788 /nfs/dbraw/zinc/12/77/88/493127788.db2.gz XKORPBGQAUNZLG-GMTAPVOTSA-N -1 3 369.418 0.977 10 0 FCAEHM O=C(Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1)N1CCO[C@@]2(CCOC2)C1 ZINC000681431205 493167079 /nfs/dbraw/zinc/16/70/79/493167079.db2.gz CRTBEABMKAEVOE-KDOFPFPSSA-N -1 3 374.397 0.460 10 0 FCAEHM O=C(Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1)N1CCO[C@@]2(CCOC2)C1 ZINC000681431206 493167684 /nfs/dbraw/zinc/16/76/84/493167684.db2.gz CRTBEABMKAEVOE-KSSFIOAISA-N -1 3 374.397 0.460 10 0 FCAEHM O=C(Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1)N1CCO[C@]2(CCOC2)C1 ZINC000681431204 493167875 /nfs/dbraw/zinc/16/78/75/493167875.db2.gz CRTBEABMKAEVOE-KBXCAEBGSA-N -1 3 374.397 0.460 10 0 FCAEHM COc1cnc([N-]C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)nc1 ZINC000653780202 493177626 /nfs/dbraw/zinc/17/76/26/493177626.db2.gz JJLZFGPZFDPEFT-UHFFFAOYSA-N -1 3 368.371 0.351 10 0 FCAEHM CC(C)OC[C@H](N)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000659313503 493188975 /nfs/dbraw/zinc/18/89/75/493188975.db2.gz BWOTYJBFHDCCJK-LBPRGKRZSA-N -1 3 365.402 0.112 10 0 FCAEHM C[C@@H]1C[C@H](NC(=O)Nc2ccc(C[C@H]3NC(=O)[N-]C3=O)cc2)c2ncnn21 ZINC000666512884 493195764 /nfs/dbraw/zinc/19/57/64/493195764.db2.gz LOEXQJVDPIUKEB-JIMOISOXSA-N -1 3 369.385 0.856 10 0 FCAEHM C[C@@H]1C[C@H](NC(=O)Nc2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)c2ncnn21 ZINC000666512877 493195791 /nfs/dbraw/zinc/19/57/91/493195791.db2.gz LOEXQJVDPIUKEB-ICCXJUOJSA-N -1 3 369.385 0.856 10 0 FCAEHM O=C(Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1)N1CCc2nccnc2C1 ZINC000666513580 493197589 /nfs/dbraw/zinc/19/75/89/493197589.db2.gz QGEHDLTUOCTUOB-CQSZACIVSA-N -1 3 366.381 0.817 10 0 FCAEHM O=C(Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1)N1CC[C@@H](O)C(F)(F)C1 ZINC000666514346 493197634 /nfs/dbraw/zinc/19/76/34/493197634.db2.gz YKIRWYDXBBZQET-NWDGAFQWSA-N -1 3 368.340 0.671 10 0 FCAEHM CCCN1CC[C@H](NC(=O)C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1 ZINC000659662186 493238236 /nfs/dbraw/zinc/23/82/36/493238236.db2.gz CGUKYQBDFXLCPE-ZOBORPQBSA-N -1 3 353.463 0.839 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2C[C@H](O)CC(F)(F)C2)s1 ZINC000682440986 493299304 /nfs/dbraw/zinc/29/93/04/493299304.db2.gz PEZCMJCWMKRKPC-MRVPVSSYSA-N -1 3 369.415 0.568 10 0 FCAEHM CC(C)O[C@@]1(CS(=O)(=O)[N-][C@@H](C)C2(S(C)(=O)=O)CC2)CCOC1 ZINC000659966036 493309495 /nfs/dbraw/zinc/30/94/95/493309495.db2.gz FOYSNEUCQWGPHR-STQMWFEESA-N -1 3 369.505 0.456 10 0 FCAEHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC2(COC2)C1 ZINC000660068035 493321374 /nfs/dbraw/zinc/32/13/74/493321374.db2.gz SNHVXGRHGZQLDF-UHFFFAOYSA-N -1 3 360.457 0.396 10 0 FCAEHM O=S(=O)([N-]CC1(O)CCC(F)(F)CC1)c1cnn2c1OCCC2 ZINC000660072340 493321390 /nfs/dbraw/zinc/32/13/90/493321390.db2.gz WWNYUVQJIQDXBO-UHFFFAOYSA-N -1 3 351.375 0.884 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N[C@H]2CCCC2(F)F)cn1C ZINC000673380186 493324157 /nfs/dbraw/zinc/32/41/57/493324157.db2.gz QTOGPXAZLGKEIH-JTQLQIEISA-N -1 3 350.391 0.701 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N1CCN(C2CC2)C(=O)C1 ZINC000673969618 493378202 /nfs/dbraw/zinc/37/82/02/493378202.db2.gz SCLNWBASZXKVHM-UHFFFAOYSA-N -1 3 356.382 0.325 10 0 FCAEHM CN(C)c1cccc(S(=O)(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000683953646 493381916 /nfs/dbraw/zinc/38/19/16/493381916.db2.gz ZDVWOYGJIAIEGM-OAHLLOKOSA-N -1 3 352.416 0.115 10 0 FCAEHM Cn1ncc(C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1Cc1ccccc1 ZINC000684078110 493392457 /nfs/dbraw/zinc/39/24/57/493392457.db2.gz CASHFJFQTHOCFA-IBGZPJMESA-N -1 3 367.409 0.825 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](N3CCC3)[C@H](F)C2)c(C)o1 ZINC000684185681 493400084 /nfs/dbraw/zinc/40/00/84/493400084.db2.gz LAKFAVZPIGIWBT-OLZOCXBDSA-N -1 3 359.423 0.754 10 0 FCAEHM Cc1cc(NC(=O)NCc2ncccc2[O-])n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000684222678 493401869 /nfs/dbraw/zinc/40/18/69/493401869.db2.gz RGEPHFXGJBYILD-LLVKDONJSA-N -1 3 365.415 0.973 10 0 FCAEHM CN1C[C@H](C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)NC1=O ZINC000669090453 493462327 /nfs/dbraw/zinc/46/23/27/493462327.db2.gz JSKHBYHPFWVHIP-LLVKDONJSA-N -1 3 372.422 0.865 10 0 FCAEHM CCNC(=O)N1CC[C@H]([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2F)C1 ZINC000675468336 493483858 /nfs/dbraw/zinc/48/38/58/493483858.db2.gz ROALECFFFWUHPJ-LBPRGKRZSA-N -1 3 372.422 0.866 10 0 FCAEHM O=C(CCn1cc(Br)cn1)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000662171925 493494574 /nfs/dbraw/zinc/49/45/74/493494574.db2.gz DRWGNWYJNBOZGB-UHFFFAOYSA-N -1 3 368.195 0.685 10 0 FCAEHM O=C(CCn1cc(Br)cn1)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000662171925 493494576 /nfs/dbraw/zinc/49/45/76/493494576.db2.gz DRWGNWYJNBOZGB-UHFFFAOYSA-N -1 3 368.195 0.685 10 0 FCAEHM O=C(CCn1cc(Br)cn1)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000662171925 493494579 /nfs/dbraw/zinc/49/45/79/493494579.db2.gz DRWGNWYJNBOZGB-UHFFFAOYSA-N -1 3 368.195 0.685 10 0 FCAEHM C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662220662 493497348 /nfs/dbraw/zinc/49/73/48/493497348.db2.gz QMKQVUHLLXMEQK-VNBZBWLYSA-N -1 3 362.382 0.818 10 0 FCAEHM COCc1csc(NC(=O)C[N-]S(=O)(=O)c2c(C)noc2C)n1 ZINC000685742333 493511929 /nfs/dbraw/zinc/51/19/29/493511929.db2.gz KMPYPOVYELTAPK-UHFFFAOYSA-N -1 3 360.417 0.811 10 0 FCAEHM CCc1n[nH]cc1C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000669622270 493514620 /nfs/dbraw/zinc/51/46/20/493514620.db2.gz ZMEAOGWXQADBEG-UHFFFAOYSA-N -1 3 358.370 0.959 10 0 FCAEHM CCN1CC[C@@H](NC(=O)NCc2ccc(S(=O)(=O)[N-]C)s2)C1=O ZINC000670045796 493543034 /nfs/dbraw/zinc/54/30/34/493543034.db2.gz FPLRRNHVNLIRFL-SNVBAGLBSA-N -1 3 360.461 0.076 10 0 FCAEHM CC(C)(CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1)N1CCCCC1 ZINC000663619248 493605352 /nfs/dbraw/zinc/60/53/52/493605352.db2.gz QCYYNARTFDYCDI-CQSZACIVSA-N -1 3 353.463 0.984 10 0 FCAEHM O=C([O-])[C@@H](CNC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1)C1CCC1 ZINC000663632423 493607302 /nfs/dbraw/zinc/60/73/02/493607302.db2.gz HSBWZEJHJNDOKH-GJZGRUSLSA-N -1 3 351.447 0.690 10 0 FCAEHM C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663632992 493607385 /nfs/dbraw/zinc/60/73/85/493607385.db2.gz BQNYITORAQUQDC-UMVBOHGHSA-N -1 3 353.463 0.983 10 0 FCAEHM CC(C)OCCS(=O)(=O)[N-]CC(=O)Nc1cnn(C)c1C(F)F ZINC000677610418 493610576 /nfs/dbraw/zinc/61/05/76/493610576.db2.gz YHMKRBNBLBQNNO-UHFFFAOYSA-N -1 3 354.379 0.641 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2c2ncnc3ccc(S(C)(=O)=O)cc32)nc1=N ZINC000663963340 493627905 /nfs/dbraw/zinc/62/79/05/493627905.db2.gz SPPHNSHBALJASA-CYBMUJFWSA-N -1 3 373.442 0.916 10 0 FCAEHM COc1nc(NC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)n[n-]1 ZINC000678351858 493641552 /nfs/dbraw/zinc/64/15/52/493641552.db2.gz VYHGZKBEBXKFRQ-ABKXIKBNSA-N -1 3 364.406 0.889 10 0 FCAEHM COc1nnc(NC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)[n-]1 ZINC000678351858 493641553 /nfs/dbraw/zinc/64/15/53/493641553.db2.gz VYHGZKBEBXKFRQ-ABKXIKBNSA-N -1 3 364.406 0.889 10 0 FCAEHM COc1n[n-]c(NC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)n1 ZINC000678351858 493641554 /nfs/dbraw/zinc/64/15/54/493641554.db2.gz VYHGZKBEBXKFRQ-ABKXIKBNSA-N -1 3 364.406 0.889 10 0 FCAEHM CC(C)C[C@H]([N-]S(=O)(=O)N(C)C1CC1)c1nc(-c2nc[nH]n2)no1 ZINC000678491922 493646076 /nfs/dbraw/zinc/64/60/76/493646076.db2.gz XMMKHELSSNVDCG-JTQLQIEISA-N -1 3 355.424 0.871 10 0 FCAEHM Cn1nnnc1CC[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000678492938 493646555 /nfs/dbraw/zinc/64/65/55/493646555.db2.gz FMUSCIYWBVIDSK-UHFFFAOYSA-N -1 3 364.200 0.633 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC2(CO)CC2)c(OC)c1 ZINC000678801760 493661565 /nfs/dbraw/zinc/66/15/65/493661565.db2.gz LPBFWQBFRJDIAN-UHFFFAOYSA-N -1 3 364.445 0.260 10 0 FCAEHM CCn1c(=O)[n-]c(=O)c2c(C(=O)NCc3cn(C)nn3)cc(C3CC3)nc21 ZINC000680004157 493704883 /nfs/dbraw/zinc/70/48/83/493704883.db2.gz BDYVECXUJAGXEQ-UHFFFAOYSA-N -1 3 369.385 0.453 10 0 FCAEHM C[C@H](Cn1ncc2ccccc21)C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000671837605 493708082 /nfs/dbraw/zinc/70/80/82/493708082.db2.gz YCMUVUYKMTXOPO-KZULUSFZSA-N -1 3 355.398 0.873 10 0 FCAEHM CCN(CC)CC(=O)N1CCN(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CC1 ZINC000665326751 493710065 /nfs/dbraw/zinc/71/00/65/493710065.db2.gz FFOCXWIBXXAAFH-OAHLLOKOSA-N -1 3 368.478 0.683 10 0 FCAEHM C[C@@]1(c2ccc(C(=O)NC3(CCO)CCOCC3)cc2)NC(=O)[N-]C1=O ZINC000680935105 493737794 /nfs/dbraw/zinc/73/77/94/493737794.db2.gz UGZKRMHBQDUGKL-KRWDZBQOSA-N -1 3 361.398 0.403 10 0 FCAEHM CCOc1cccc(CCNC(=O)c2ccc(S(=O)(=O)[N-]C)nc2)n1 ZINC000681157865 493747829 /nfs/dbraw/zinc/74/78/29/493747829.db2.gz LZHWALCZTOTZPG-UHFFFAOYSA-N -1 3 364.427 0.756 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCCC[C@H]2c2cn[nH]c2)cn1C ZINC000113892290 534515970 /nfs/dbraw/zinc/51/59/70/534515970.db2.gz VOBFDGYQUQYMIW-ZDUSSCGKSA-N -1 3 366.447 0.484 10 0 FCAEHM CCOC(=O)[C@H](C[N-]S(=O)(=O)CCS(C)(=O)=O)c1ccccc1 ZINC000266263079 528014521 /nfs/dbraw/zinc/01/45/21/528014521.db2.gz ZVWRDQIGBADASC-CYBMUJFWSA-N -1 3 363.457 0.297 10 0 FCAEHM CCC[C@H](O)[C@H](CO)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000412527716 528319701 /nfs/dbraw/zinc/31/97/01/528319701.db2.gz UCOUWHRPXGYJQC-LZWOXQAQSA-N -1 3 350.415 0.635 10 0 FCAEHM CC[C@@H](NC(=O)CC[N-]S(=O)(=O)c1cccs1)[C@@H](O)C(F)F ZINC000452473435 535786307 /nfs/dbraw/zinc/78/63/07/535786307.db2.gz CVRAUFOCEORABF-LDYMZIIASA-N -1 3 356.416 0.937 10 0 FCAEHM CCc1[nH]nc(NC(=O)CN2CC(=O)[N-]C2=O)c1-c1ccc2c(c1)OCO2 ZINC000440467431 536010767 /nfs/dbraw/zinc/01/07/67/536010767.db2.gz WHJJEMFXSOJSKQ-UHFFFAOYSA-N -1 3 371.353 0.858 10 0 FCAEHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C(N)=O)C1 ZINC000443110786 536726027 /nfs/dbraw/zinc/72/60/27/536726027.db2.gz CBXVWJZJWFYPGO-GXSJLCMTSA-N -1 3 358.391 0.935 10 0 FCAEHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H]1CCC[C@@H](C(N)=O)C1 ZINC000443110790 536726355 /nfs/dbraw/zinc/72/63/55/536726355.db2.gz CBXVWJZJWFYPGO-KOLCDFICSA-N -1 3 358.391 0.935 10 0 FCAEHM CO[C@H](C)c1cccc(NC(=O)C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)c1 ZINC000442030761 536879776 /nfs/dbraw/zinc/87/97/76/536879776.db2.gz UEMMLKHHOUVFRR-MFKMUULPSA-N -1 3 360.370 0.095 10 0 FCAEHM CCOC(=O)c1cc([N-]S(=O)(=O)C[C@H](OC)C2CCOCC2)n[nH]1 ZINC000592353660 546629658 /nfs/dbraw/zinc/62/96/58/546629658.db2.gz CRYMXJKGWOLBNH-LBPRGKRZSA-N -1 3 361.420 0.770 10 0 FCAEHM COC[C@@H]1C[C@@H](O)CN1Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000593060611 546685826 /nfs/dbraw/zinc/68/58/26/546685826.db2.gz FCDKPCMQKQYBLC-VHSXEESVSA-N -1 3 367.427 0.661 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)s1 ZINC000593300502 546699770 /nfs/dbraw/zinc/69/97/70/546699770.db2.gz NWMCLAQVTQGOGJ-AJHYNDKWSA-N -1 3 363.486 0.071 10 0 FCAEHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)Cn2cncn2)c(F)c1 ZINC000593543657 546712495 /nfs/dbraw/zinc/71/24/95/546712495.db2.gz LEGHVMPQSKOYMO-SNVBAGLBSA-N -1 3 356.379 0.961 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-]Cc2ncc3c(n2)CCOC3)CCC1 ZINC000593627417 546723213 /nfs/dbraw/zinc/72/32/13/546723213.db2.gz SIXFFWALBQVFPY-UHFFFAOYSA-N -1 3 355.416 0.312 10 0 FCAEHM COC(=O)[C@@H](CCF)[N-]S(=O)(=O)c1ccc(CCNC(C)=O)s1 ZINC000593632574 546724448 /nfs/dbraw/zinc/72/44/48/546724448.db2.gz LAXHBNYYIZARIK-LLVKDONJSA-N -1 3 366.436 0.606 10 0 FCAEHM CCOC(=O)[C@H](CC1(OC)CCC1)[N-]S(=O)(=O)N1CCCOCC1 ZINC000593649339 546727854 /nfs/dbraw/zinc/72/78/54/546727854.db2.gz IXAVTVTWBWWEEZ-ZDUSSCGKSA-N -1 3 364.464 0.434 10 0 FCAEHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]CC[C@@]1(O)CCOC1 ZINC000593637451 546733016 /nfs/dbraw/zinc/73/30/16/546733016.db2.gz OPSHHJGFJKFRBS-CQSZACIVSA-N -1 3 363.819 0.946 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)c1nnc2n1CCC2 ZINC000594384704 546787026 /nfs/dbraw/zinc/78/70/26/546787026.db2.gz XQRFTXCAVWTPCE-JTQLQIEISA-N -1 3 370.456 0.667 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)C[C@H]1CCCS(=O)(=O)C1)C(=O)OC(C)(C)C ZINC000594793508 546825254 /nfs/dbraw/zinc/82/52/54/546825254.db2.gz YJHPHMKIRQWCBA-MNOVXSKESA-N -1 3 355.478 0.461 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](OC)[C@H]2CCOC2)c(F)c1 ZINC000594799891 546826349 /nfs/dbraw/zinc/82/63/49/546826349.db2.gz GESFJVZHAXBLSQ-AAEUAGOBSA-N -1 3 361.391 0.942 10 0 FCAEHM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-][C@@H](CO)C2CCC2)c1 ZINC000594801187 546827749 /nfs/dbraw/zinc/82/77/49/546827749.db2.gz KIJWUYLXHLVLAN-ZDUSSCGKSA-N -1 3 371.411 0.699 10 0 FCAEHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C[C@H](OC)[C@@H]1CCOC1 ZINC000594805570 546828235 /nfs/dbraw/zinc/82/82/35/546828235.db2.gz ZTSTYPKMPQPXSH-MFKMUULPSA-N -1 3 361.391 0.942 10 0 FCAEHM COC(=O)c1nscc1S(=O)(=O)[N-]C[C@@H](OC)[C@H]1CCOC1 ZINC000594805051 546828694 /nfs/dbraw/zinc/82/86/94/546828694.db2.gz RWADSXMJZRDFML-DTWKUNHWSA-N -1 3 350.418 0.260 10 0 FCAEHM COC(=O)[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)c1cc(OC)c(OC)cc1F ZINC000594818402 546832017 /nfs/dbraw/zinc/83/20/17/546832017.db2.gz GUKQTGAQKNEDFS-TVQRCGJNSA-N -1 3 363.363 0.452 10 0 FCAEHM COC(=O)[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)Cc1cccc2cccnc21 ZINC000594825076 546837239 /nfs/dbraw/zinc/83/72/39/546837239.db2.gz VSXUOWILMHWJCW-DZGCQCFKSA-N -1 3 350.396 0.985 10 0 FCAEHM CN(C(=O)CN1CC(=O)[N-]C1=O)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000275280478 546865028 /nfs/dbraw/zinc/86/50/28/546865028.db2.gz OCZMMAOVSCGEBM-NSHDSACASA-N -1 3 354.407 0.300 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)OC)c(C)o1 ZINC000276467946 546866837 /nfs/dbraw/zinc/86/68/37/546866837.db2.gz WWIAAPZOTSJHJA-COPLHBTASA-N -1 3 370.427 0.910 10 0 FCAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H](C)NS(C)(=O)=O)cc2)n1 ZINC000363297303 546889958 /nfs/dbraw/zinc/88/99/58/546889958.db2.gz ONTOXUMGQIJLPG-SNVBAGLBSA-N -1 3 350.400 0.622 10 0 FCAEHM C[C@H]([N-]S(C)(=O)=O)c1nc(-c2ccc(N3CCN(C)CC3)nc2)no1 ZINC000546311695 547040276 /nfs/dbraw/zinc/04/02/76/547040276.db2.gz NBLONIVDJFCYAL-NSHDSACASA-N -1 3 366.447 0.494 10 0 FCAEHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)CC2(C(=O)OC)CCC2)[C@H]1n1cccn1 ZINC000550016960 547076199 /nfs/dbraw/zinc/07/61/99/547076199.db2.gz ACQZWOJIUMOHSK-MGPQQGTHSA-N -1 3 371.459 0.864 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)Nc2cnc(CC3CC3)nc2)c1 ZINC000552341902 547201263 /nfs/dbraw/zinc/20/12/63/547201263.db2.gz BTZMQIDKYDLCQT-UHFFFAOYSA-N -1 3 350.404 0.080 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CC[C@]3(C)[C@H](C2)C3(F)F)cn1C ZINC000552963851 547243053 /nfs/dbraw/zinc/24/30/53/547243053.db2.gz YLJSEXAEWSJILW-GXFFZTMASA-N -1 3 362.402 0.511 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCc1cncn1C ZINC000158975345 547346095 /nfs/dbraw/zinc/34/60/95/547346095.db2.gz FBOWZPZXOXZLNG-NSHDSACASA-N -1 3 354.407 0.585 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)NCc2ccc(Cl)cn2)cn1C ZINC000182162400 547406385 /nfs/dbraw/zinc/40/63/85/547406385.db2.gz SKFJFPQZMURCFM-UHFFFAOYSA-N -1 3 371.850 0.762 10 0 FCAEHM CCC[C@H](O)C[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866849111 663143296 /nfs/dbraw/zinc/14/32/96/663143296.db2.gz RUDMJLWGEIMLPJ-ZETCQYMHSA-N -1 3 373.216 0.464 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)C3CN(CC(F)(F)F)C3)CC2)n1 ZINC000899497963 665943178 /nfs/dbraw/zinc/94/31/78/665943178.db2.gz FZIOLOFPGWZNJC-UHFFFAOYSA-N -1 3 359.352 0.633 10 0 FCAEHM COC(=O)N(C)CCCC(=O)N1CCN(c2nc(C)cc(=O)[n-]2)CC1 ZINC000899501110 665943402 /nfs/dbraw/zinc/94/34/02/665943402.db2.gz RLYAYIWCYLGELH-UHFFFAOYSA-N -1 3 351.407 0.618 10 0 FCAEHM CC[S@](C)(=O)=NS(=O)(=O)[N-]CCc1cccc(C(=O)N(C)C)c1 ZINC000866868986 663471223 /nfs/dbraw/zinc/47/12/23/663471223.db2.gz VJSHXSKEZMTAMG-QFIPXVFZSA-N -1 3 361.489 0.883 10 0 FCAEHM CN1CCN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CCC1(C)C ZINC000926391627 663505027 /nfs/dbraw/zinc/50/50/27/663505027.db2.gz SEYCWYLXAIOPQN-UONOGXRCSA-N -1 3 351.447 0.498 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CC[S@](=O)CC(F)(F)F)nc1Cl ZINC000849420236 663551400 /nfs/dbraw/zinc/55/14/00/663551400.db2.gz OHFJSKRKLAERBT-IBGZPJMESA-N -1 3 353.775 0.663 10 0 FCAEHM CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCC1(C(=O)[O-])CCC1 ZINC000737945371 664388937 /nfs/dbraw/zinc/38/89/37/664388937.db2.gz XRNQHRHPTMEHSC-CYBMUJFWSA-N -1 3 354.451 0.483 10 0 FCAEHM CCN1CCO[C@@H](C[N-]S(=O)(=O)c2ccco2)[C@@H]1c1ccnn1C ZINC000888102742 664833947 /nfs/dbraw/zinc/83/39/47/664833947.db2.gz JXSJRCSGQHDFID-ZFWWWQNUSA-N -1 3 354.432 0.753 10 0 FCAEHM CCCOC(=O)CC[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000866909305 665142322 /nfs/dbraw/zinc/14/23/22/665142322.db2.gz IUMVNKXGEZCTNG-UHFFFAOYSA-N -1 3 354.226 0.804 10 0 FCAEHM CC(C)[C@@H](CO)[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866929330 665168712 /nfs/dbraw/zinc/16/87/12/665168712.db2.gz XSRJMVLRXPLBEX-SSDOTTSWSA-N -1 3 373.216 0.320 10 0 FCAEHM CC[C@H](O)CC[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866969426 665295614 /nfs/dbraw/zinc/29/56/14/665295614.db2.gz WUZDCSZQKRTUJK-ZETCQYMHSA-N -1 3 373.216 0.464 10 0 FCAEHM CN1CCN(CCNC(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])CC1(C)C ZINC000909027583 666223688 /nfs/dbraw/zinc/22/36/88/666223688.db2.gz QGGYWZWYMBFYAZ-RRFJBIMHSA-N -1 3 352.479 0.907 10 0 FCAEHM O=C([O-])[C@H]1CCCN(CC(=O)N2CCCC[C@H]2CN2CCOCC2)C1 ZINC000911335061 666336337 /nfs/dbraw/zinc/33/63/37/666336337.db2.gz IFCRJUQFFPMKTI-HOTGVXAUSA-N -1 3 353.463 0.496 10 0 FCAEHM CCOC(=O)[C@H](COC)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000921379544 666442398 /nfs/dbraw/zinc/44/23/98/666442398.db2.gz DTCJHEAKWMCYFU-VIFPVBQESA-N -1 3 356.322 0.957 10 0 FCAEHM CO[C@]1(C[N-]S(=O)(=O)c2cnc(NC(C)=O)s2)CCSC1 ZINC000921401882 666443724 /nfs/dbraw/zinc/44/37/24/666443724.db2.gz KQMJCVGVBVHGIK-NSHDSACASA-N -1 3 351.475 0.902 10 0 FCAEHM CO[C@@]1(C[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)CCS(=O)(=O)C1 ZINC000921466218 666449377 /nfs/dbraw/zinc/44/93/77/666449377.db2.gz WKIAQJIUSREOKS-GFCCVEGCSA-N -1 3 373.374 0.586 10 0 FCAEHM CCN1CCC[C@H]([N-]S(=O)(=O)c2cn(C)nc2Br)C1=O ZINC000921489796 666454256 /nfs/dbraw/zinc/45/42/56/666454256.db2.gz RCFBWIXFVBKRFP-QMMMGPOBSA-N -1 3 365.253 0.472 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N1CC[C@@H](N2CCC2)C1 ZINC000912925654 666486950 /nfs/dbraw/zinc/48/69/50/666486950.db2.gz OTJWLFZFHQIOOP-LLVKDONJSA-N -1 3 359.398 0.550 10 0 FCAEHM CS(=O)(=O)N1C[C@H]2CN(C/C=C\c3ccccc3)C[C@@]2(C(=O)[O-])C1 ZINC000229831447 666596883 /nfs/dbraw/zinc/59/68/83/666596883.db2.gz RVRLADXQKXVECR-OPZJBCNKSA-N -1 3 350.440 0.978 10 0 FCAEHM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000183662156 666690419 /nfs/dbraw/zinc/69/04/19/666690419.db2.gz YHRWNWVANGFVHH-TUAOUCFPSA-N -1 3 353.385 0.603 10 0 FCAEHM CC[C@H](CO)N1CCN(C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)CC1 ZINC000183731778 666698625 /nfs/dbraw/zinc/69/86/25/666698625.db2.gz GJELAQZJOKHRMW-NEPJUHHUSA-N -1 3 353.385 0.605 10 0 FCAEHM COC(=O)[C@@H](O)C[N-]S(=O)(=O)Cc1cccc(F)c1Br ZINC000914305584 666737775 /nfs/dbraw/zinc/73/77/75/666737775.db2.gz JHYKJLROJKYREU-VIFPVBQESA-N -1 3 370.196 0.542 10 0 FCAEHM O=S(=O)([N-]C[C@H]1CN2CCN1CCC2)c1cnccc1C(F)(F)F ZINC000917061643 667050556 /nfs/dbraw/zinc/05/05/56/667050556.db2.gz NWZCCXGHNNSKEX-NSHDSACASA-N -1 3 364.393 0.769 10 0 FCAEHM COc1ncc(S(=O)(=O)[N-]CC[S@@](=O)CC(F)(F)F)s1 ZINC000917168850 667062477 /nfs/dbraw/zinc/06/24/77/667062477.db2.gz IDONFMAZILTYRK-LJQANCHMSA-N -1 3 352.381 0.741 10 0 FCAEHM COC(=O)c1ccnc(S(=O)(=O)[N-]C[C@]23OCCC[C@H]2C3(F)F)c1 ZINC000917389800 667072949 /nfs/dbraw/zinc/07/29/49/667072949.db2.gz RMRRHDQVBKFHEO-MFKMUULPSA-N -1 3 362.354 0.961 10 0 FCAEHM COC(=O)[C@@](C)(CCF)[N-]S(=O)(=O)c1cnn2c1OCC(C)(C)C2 ZINC000917425633 667074272 /nfs/dbraw/zinc/07/42/72/667074272.db2.gz NOYSZTLSRQVKSK-CQSZACIVSA-N -1 3 363.411 0.871 10 0 FCAEHM COC1(OC)CCCC[C@@H]1[N-]S(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC000918061503 667098709 /nfs/dbraw/zinc/09/87/09/667098709.db2.gz SMQJYMURECCRMT-OLZOCXBDSA-N -1 3 369.505 0.662 10 0 FCAEHM COC(=O)c1nscc1S(=O)(=O)[N-]C1CC(N2CCOCC2)C1 ZINC000918302393 667109488 /nfs/dbraw/zinc/10/94/88/667109488.db2.gz YEQLPIPLAKVGRN-UHFFFAOYSA-N -1 3 361.445 0.071 10 0 FCAEHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000921617494 667144629 /nfs/dbraw/zinc/14/46/29/667144629.db2.gz IFLKGPDHUQODQG-CDMKHQONSA-N -1 3 359.375 0.695 10 0 FCAEHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](CO)CN1CCOCC1 ZINC000918978703 667145089 /nfs/dbraw/zinc/14/50/89/667145089.db2.gz ARPBBRBALBUIMC-ZDUSSCGKSA-N -1 3 372.418 0.852 10 0 FCAEHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](CO)CN2CCOCC2)cc1F ZINC000918980506 667145912 /nfs/dbraw/zinc/14/59/12/667145912.db2.gz NBYVXOOVVJRCET-NSHDSACASA-N -1 3 350.387 0.245 10 0 FCAEHM Cn1cc(C[N-]S(=O)(=O)c2c[nH]c(=O)s2)c(Br)n1 ZINC000920962212 667261107 /nfs/dbraw/zinc/26/11/07/667261107.db2.gz WWYLANIWXRKXGW-UHFFFAOYSA-N -1 3 353.223 0.823 10 0 FCAEHM CCN(C(=O)C[N-]S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1ccccc1 ZINC000921004281 667264147 /nfs/dbraw/zinc/26/41/47/667264147.db2.gz ZZUFDFXPJDISCD-OAHLLOKOSA-N -1 3 365.455 0.722 10 0 FCAEHM CCOC(=O)[C@@H](CC1CC1)[N-]S(=O)(=O)N1CCC[C@@H]1C(=O)OCC ZINC000751981542 667497980 /nfs/dbraw/zinc/49/79/80/667497980.db2.gz ITGFJFHAJWBCSA-CHWSQXEVSA-N -1 3 362.448 0.580 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)OC[C@@H](C)CS(C)(=O)=O)c(C)o1 ZINC000758045446 667742668 /nfs/dbraw/zinc/74/26/68/667742668.db2.gz HOKLCWSSSVWRCW-MRVPVSSYSA-N -1 3 353.418 0.334 10 0 FCAEHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]C[C@H](O)c1ccccn1 ZINC000758515227 667768916 /nfs/dbraw/zinc/76/89/16/667768916.db2.gz JXLFCYNHXWSLAV-JTQLQIEISA-N -1 3 371.802 0.929 10 0 FCAEHM Cn1ncc(CNC(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)n1 ZINC000805215970 667870291 /nfs/dbraw/zinc/87/02/91/667870291.db2.gz KPSQRGQQKIRVAC-UHFFFAOYSA-N -1 3 371.369 0.464 10 0 FCAEHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(N)=O)C2)c1 ZINC000738406763 667918759 /nfs/dbraw/zinc/91/87/59/667918759.db2.gz BBBMBKKOLSNAKI-MWLCHTKSSA-N -1 3 358.391 0.935 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@]2(CCO)CCOC2)ccc1F ZINC000762576044 667922040 /nfs/dbraw/zinc/92/20/40/667922040.db2.gz HZMOHSDXEJOCGX-HNNXBMFYSA-N -1 3 360.407 0.253 10 0 FCAEHM COC(=O)c1cc(C)nc2nc(SCC(=O)N(C)OC)[n-]c(=O)c12 ZINC000763256077 667947736 /nfs/dbraw/zinc/94/77/36/667947736.db2.gz REROQJRAABQHDI-UHFFFAOYSA-N -1 3 352.372 0.937 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)CC(C)(C)S(C)(=O)=O)c(C)o1 ZINC000763656225 667959975 /nfs/dbraw/zinc/95/99/75/667959975.db2.gz JOBYCZOGAQCBMX-UHFFFAOYSA-N -1 3 366.461 0.391 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](O)c2ccccn2)ccc1F ZINC000764976122 667997621 /nfs/dbraw/zinc/99/76/21/667997621.db2.gz ANJGATSUECKLKL-ZDUSSCGKSA-N -1 3 353.375 0.592 10 0 FCAEHM CON(C)C(=O)[C@H](CCSC)NC(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000765424725 668006558 /nfs/dbraw/zinc/00/65/58/668006558.db2.gz NOBOHPZWVDZBBQ-VIFPVBQESA-N -1 3 357.436 0.120 10 0 FCAEHM Cc1cc(CS(=O)(=O)[N-]N2C(=O)N[C@](C)(c3ccccc3)C2=O)no1 ZINC000767533601 668055143 /nfs/dbraw/zinc/05/51/43/668055143.db2.gz ZYWHOEVLLMQELC-OAHLLOKOSA-N -1 3 364.383 0.785 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]CCNS(=O)(=O)Cc2ccccc2)o1 ZINC000773284219 668083921 /nfs/dbraw/zinc/08/39/21/668083921.db2.gz MTAWDSAKOAIGFI-UHFFFAOYSA-N -1 3 358.441 0.986 10 0 FCAEHM O=C(O[C@@H]1CCNC1=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000769990178 668166716 /nfs/dbraw/zinc/16/67/16/668166716.db2.gz PUJGDEIXUSIQHH-CYBMUJFWSA-N -1 3 367.358 1.000 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000774784865 668173419 /nfs/dbraw/zinc/17/34/19/668173419.db2.gz QPRYLCDBZSEJCQ-ZJUUUORDSA-N -1 3 364.855 0.296 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000774784858 668173436 /nfs/dbraw/zinc/17/34/36/668173436.db2.gz QPRYLCDBZSEJCQ-UWVGGRQHSA-N -1 3 364.855 0.296 10 0 FCAEHM CC[S@](=O)CCNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000771181175 668242675 /nfs/dbraw/zinc/24/26/75/668242675.db2.gz NZJBTMDICDGHAD-FQEVSTJZSA-N -1 3 372.465 0.244 10 0 FCAEHM COC[C@@](C)(CCO)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000778432693 668367624 /nfs/dbraw/zinc/36/76/24/668367624.db2.gz DPURWVSGGIKTEU-MRXNPFEDSA-N -1 3 374.434 0.784 10 0 FCAEHM CCNS(=O)(=O)CC[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000785491360 668714767 /nfs/dbraw/zinc/71/47/67/668714767.db2.gz UOLQSYWDTGQAGM-UHFFFAOYSA-N -1 3 361.367 0.318 10 0 FCAEHM Cc1cc(=O)[n-]c(CN2CCN(c3ccccc3S(N)(=O)=O)CC2)n1 ZINC000785512764 668715701 /nfs/dbraw/zinc/71/57/01/668715701.db2.gz UFBDDNYUWCQFAI-UHFFFAOYSA-N -1 3 363.443 0.460 10 0 FCAEHM C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)[N-]OCCO ZINC000787300388 668793737 /nfs/dbraw/zinc/79/37/37/668793737.db2.gz YVQQNLLYUDEMHT-SECBINFHSA-N -1 3 366.233 0.899 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)OCC(=O)OCC(F)(F)F ZINC000788892323 668842836 /nfs/dbraw/zinc/84/28/36/668842836.db2.gz BJMWHGAMOSLMEX-UHFFFAOYSA-N -1 3 374.293 0.218 10 0 FCAEHM CON(C)S(=O)(=O)c1ccc(C(=O)NCc2ncccc2[O-])cc1 ZINC000792611038 668906063 /nfs/dbraw/zinc/90/60/63/668906063.db2.gz FBBFIWGRJBMIQS-UHFFFAOYSA-N -1 3 351.384 0.899 10 0 FCAEHM CCN1CCN(CC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)CC1 ZINC000799022038 669275784 /nfs/dbraw/zinc/27/57/84/669275784.db2.gz ZDVMTUWGTOEIOJ-UHFFFAOYSA-N -1 3 364.412 0.541 10 0 FCAEHM CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)c2nnc3ccccc3c2[O-])C1 ZINC000804191682 669368820 /nfs/dbraw/zinc/36/88/20/669368820.db2.gz FWBWOMJZETXTGW-LLVKDONJSA-N -1 3 364.427 0.831 10 0 FCAEHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]C1COCCOC1 ZINC000813738654 669851688 /nfs/dbraw/zinc/85/16/88/669851688.db2.gz KOKVMWXCRWKBGB-UHFFFAOYSA-N -1 3 350.780 0.215 10 0 FCAEHM COC[C@@H]([N-]S(=O)(=O)C1CN(C(=O)OC(C)(C)C)C1)[C@@H]1CCCO1 ZINC000867206253 670073953 /nfs/dbraw/zinc/07/39/53/670073953.db2.gz JJDAEIZYQPMBTA-OLZOCXBDSA-N -1 3 364.464 0.719 10 0 FCAEHM C[C@@H](O)[C@@H]1CN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CCO1 ZINC000840565841 670511788 /nfs/dbraw/zinc/51/17/88/670511788.db2.gz LJNLBMFGZXAMHH-YGRLFVJLSA-N -1 3 372.418 0.488 10 0 FCAEHM C[C@H](CC(=O)N1CC(C)(C(N)=O)C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000843941799 670871882 /nfs/dbraw/zinc/87/18/82/670871882.db2.gz UZSUMRKDJMZPBU-SECBINFHSA-N -1 3 374.850 0.126 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-][C@H]2C[C@@](C)(O)C2)c1I ZINC000867415855 671105611 /nfs/dbraw/zinc/10/56/11/671105611.db2.gz QZBYGFZLENTUBO-KZCWHLCOSA-N -1 3 371.200 0.216 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@@H]2CCN(CC(F)F)C2)c(Br)n1 ZINC000867416969 671106385 /nfs/dbraw/zinc/10/63/85/671106385.db2.gz XELWTVUXVZMWER-SSDOTTSWSA-N -1 3 373.223 0.800 10 0 FCAEHM CC(C)(C)OC(=O)NC[C@@H](NC(=O)NN1CC(=O)[N-]C1=O)C(F)(F)F ZINC000847233671 671177940 /nfs/dbraw/zinc/17/79/40/671177940.db2.gz YACNXGWUGLAOKA-ZCFIWIBFSA-N -1 3 369.300 0.208 10 0 FCAEHM CO[C@@](C)(CO)CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000848262277 671263746 /nfs/dbraw/zinc/26/37/46/671263746.db2.gz FOZARHRSEPBNSF-OAHLLOKOSA-N -1 3 362.423 0.640 10 0 FCAEHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]CCCn2ccnn2)c1 ZINC000848448918 671276315 /nfs/dbraw/zinc/27/63/15/671276315.db2.gz XZYZRSWJWOGQPF-UHFFFAOYSA-N -1 3 356.379 0.881 10 0 FCAEHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@H]2CCNC(=O)CC2)c1 ZINC000848459313 671278003 /nfs/dbraw/zinc/27/80/03/671278003.db2.gz GEYHNGXPQJZKCH-LLVKDONJSA-N -1 3 358.391 0.868 10 0 FCAEHM COC(=O)[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC000849431865 671342930 /nfs/dbraw/zinc/34/29/30/671342930.db2.gz MBKCQEVGDQOBMU-WRWORJQWSA-N -1 3 361.763 0.485 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CCS(=O)(=O)CC(F)(F)F)nc1Cl ZINC000849440885 671345937 /nfs/dbraw/zinc/34/59/37/671345937.db2.gz KKDDRECUBRDZHN-UHFFFAOYSA-N -1 3 369.774 0.329 10 0 FCAEHM COC(=O)CCN1CCC[C@@H](OC(=O)c2c[n-]c(C(=O)OC)c2)C1=O ZINC000849782876 671363194 /nfs/dbraw/zinc/36/31/94/671363194.db2.gz IYSBYMXZNPMALU-GFCCVEGCSA-N -1 3 352.343 0.512 10 0 FCAEHM CS(=O)(=O)CC1([N-]S(=O)(=O)c2cc(F)ccc2Cl)COC1 ZINC000903175561 675918340 /nfs/dbraw/zinc/91/83/40/675918340.db2.gz HHRSUIBWMHRGMM-UHFFFAOYSA-N -1 3 357.812 0.571 10 0 FCAEHM COC(=O)C1CC2(C1)CN(CC(=O)N1CCC[C@@H](C)C1)C[C@@H]2C(=O)[O-] ZINC000903413953 675929248 /nfs/dbraw/zinc/92/92/48/675929248.db2.gz CGTPGOGETXQRSV-CZJPOVKDSA-N -1 3 352.431 0.831 10 0 FCAEHM O=C(NN1CC(=O)[N-]C1=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000858542506 671766627 /nfs/dbraw/zinc/76/66/27/671766627.db2.gz LKSIVSBGHIXKGQ-JFUSQASVSA-N -1 3 350.172 0.918 10 0 FCAEHM COc1cncc(COC(=O)C[N-]S(=O)(=O)c2c(C)noc2C)n1 ZINC000859460753 671828949 /nfs/dbraw/zinc/82/89/49/671828949.db2.gz ARNWHXWSJLAEHL-UHFFFAOYSA-N -1 3 356.360 0.112 10 0 FCAEHM O=C([O-])c1ccc(CNCCS(=O)(=O)N2CCSCC2)s1 ZINC000903676772 675960627 /nfs/dbraw/zinc/96/06/27/675960627.db2.gz DUOAYDUOAQLPSH-UHFFFAOYSA-N -1 3 350.487 0.915 10 0 FCAEHM CC(C)(C)OC(=O)N1CC[C@H]([C@H](F)C(=O)[N-]c2nnc3[nH]cnn23)C1 ZINC000861763891 671992863 /nfs/dbraw/zinc/99/28/63/671992863.db2.gz CZFYBKYSBKWDQS-IUCAKERBSA-N -1 3 353.358 0.986 10 0 FCAEHM CCON(CC)C(=O)CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000862620020 672055156 /nfs/dbraw/zinc/05/51/56/672055156.db2.gz LLEKCTUJTDSGBB-UHFFFAOYSA-N -1 3 361.395 0.264 10 0 FCAEHM CN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000863360734 672118493 /nfs/dbraw/zinc/11/84/93/672118493.db2.gz UUZFSEPYXMUVBP-KLPPZKSPSA-N -1 3 369.418 0.602 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H]2C[C@@H](C(N)=O)C2)ccc1F ZINC000863360442 672118572 /nfs/dbraw/zinc/11/85/72/672118572.db2.gz POLLIZZLKCKZHE-TXEJJXNPSA-N -1 3 371.434 0.848 10 0 FCAEHM CC(C)(C(=O)[O-])N1CCN(C(=O)/C=C/c2ccc(S(C)(=O)=O)o2)CC1 ZINC000864158547 672176764 /nfs/dbraw/zinc/17/67/64/672176764.db2.gz BWMYLAZXYFCNEE-GQCTYLIASA-N -1 3 370.427 0.704 10 0 FCAEHM C[S@](=O)(=NS(=O)(=O)[N-]CCCN1CCOCC1)c1ccccc1 ZINC000866379378 672269382 /nfs/dbraw/zinc/26/93/82/672269382.db2.gz MYRURBWPNVPAKT-JOCHJYFZSA-N -1 3 361.489 0.700 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@@]2(C)CCS(=O)(=O)C2)c(Br)n1 ZINC000866402147 672270780 /nfs/dbraw/zinc/27/07/80/672270780.db2.gz HKXWGXRIFAQSSX-VIFPVBQESA-N -1 3 372.266 0.038 10 0 FCAEHM CC(C)C(=O)NCC[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000866421359 672272391 /nfs/dbraw/zinc/27/23/91/672272391.db2.gz ZNLYCTNXONNDRE-UHFFFAOYSA-N -1 3 353.242 0.233 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-]CCCN2CCCC2=O)c1Br ZINC000866439071 672273815 /nfs/dbraw/zinc/27/38/15/672273815.db2.gz DHGBWWPDHFQMLR-UHFFFAOYSA-N -1 3 365.253 0.473 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CN(Cc3ccccc3)CCO2)nn1 ZINC000866444719 672274501 /nfs/dbraw/zinc/27/45/01/672274501.db2.gz KKIQCVOAZINXOI-MRXNPFEDSA-N -1 3 362.455 0.964 10 0 FCAEHM COC(=O)C1([N-]S(=O)(=O)c2cn(C)nc2Br)CCCC1 ZINC000866466942 672275813 /nfs/dbraw/zinc/27/58/13/672275813.db2.gz PFAIUMYTFLOLAK-UHFFFAOYSA-N -1 3 366.237 0.947 10 0 FCAEHM CC[S@](C)(=O)=NS(=O)(=O)[N-]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000866500226 672278583 /nfs/dbraw/zinc/27/85/83/672278583.db2.gz BIKWEOONYZLHNB-NRFANRHFSA-N -1 3 353.510 0.976 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-]C[C@H]2CN3CCC[C@@H]3CO2)c1C(F)(F)F ZINC000866674860 672286488 /nfs/dbraw/zinc/28/64/88/672286488.db2.gz FLTRVUCLFXOTPL-ZJUUUORDSA-N -1 3 368.381 0.580 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CCOC[C@@H]2CCCO2)c(Br)n1 ZINC000866793026 672306461 /nfs/dbraw/zinc/30/64/61/672306461.db2.gz DOKJSYSSHPQYAC-VIFPVBQESA-N -1 3 368.253 0.657 10 0 FCAEHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cn(C)nc2Br)c2ncnn21 ZINC000867499741 672326906 /nfs/dbraw/zinc/32/69/06/672326906.db2.gz WPIJKABFAZSPRI-NKWVEPMBSA-N -1 3 361.225 0.758 10 0 FCAEHM CN(OCC(F)(F)F)C(=O)C[N-]S(=O)(=O)C[C@@H]1CCC1(F)F ZINC000867548048 672335382 /nfs/dbraw/zinc/33/53/82/672335382.db2.gz OIBPRIPOHWHGPF-ZETCQYMHSA-N -1 3 354.297 0.903 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]C[C@@H](O)[C@H]2CCCO2)c(Br)n1 ZINC000867556969 672336516 /nfs/dbraw/zinc/33/65/16/672336516.db2.gz JWLIMPVVXZIDBA-HTQZYQBOSA-N -1 3 354.226 0.001 10 0 FCAEHM O=C1OC[C@@]2(C[N-]S(=O)(=O)c3cc(F)c(F)c(F)c3)COCCN12 ZINC000867748420 672362378 /nfs/dbraw/zinc/36/23/78/672362378.db2.gz FXXPRVKIADRXIW-CYBMUJFWSA-N -1 3 366.317 0.603 10 0 FCAEHM COC(=O)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000867775180 672366480 /nfs/dbraw/zinc/36/64/80/672366480.db2.gz ZZDGPYSERBVKQX-LDYMZIIASA-N -1 3 368.333 0.957 10 0 FCAEHM O=C(C[C@@H]1CS(=O)(=O)CCN1)Nc1cc(Br)ccc1[O-] ZINC000126862093 673037380 /nfs/dbraw/zinc/03/73/80/673037380.db2.gz BLKAMEOKYWLNEK-SECBINFHSA-N -1 3 363.233 0.870 10 0 FCAEHM C[C@@H]1CCN(C[C@@H](O)CC2(O)CCOCC2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000878999574 673092485 /nfs/dbraw/zinc/09/24/85/673092485.db2.gz FAFILSQVBABSMF-AGIUHOORSA-N -1 3 368.396 0.668 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@H]2CCC[C@H]2CNS(C)(=O)=O)nc1Cl ZINC000800198699 673422282 /nfs/dbraw/zinc/42/22/82/673422282.db2.gz WNAKVTSKVYWLCL-IUCAKERBSA-N -1 3 370.884 0.070 10 0 FCAEHM COC1(CS(=O)(=O)[N-]C[C@@]2(C(F)(F)F)CCCN2)CCOCC1 ZINC000923684569 673457924 /nfs/dbraw/zinc/45/79/24/673457924.db2.gz CUJUTKJPMQGEMR-GFCCVEGCSA-N -1 3 360.398 0.786 10 0 FCAEHM O=S(=O)(c1cc(C(F)(F)F)ccc1[O-])N1CCNCCNCC1 ZINC000923692116 673734455 /nfs/dbraw/zinc/73/44/55/673734455.db2.gz LQVWQXCIVUNNED-UHFFFAOYSA-N -1 3 353.366 0.595 10 0 FCAEHM CC[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)N(CCOC)CCN(C)C)C1 ZINC000926330588 673823623 /nfs/dbraw/zinc/82/36/23/673823623.db2.gz ALUAXZBWIVFPEH-QGZVFWFLSA-N -1 3 357.451 0.126 10 0 FCAEHM O=C(CCCc1ccc([O-])c(F)c1)N1CCS(=O)(=O)C[C@@H]1CCO ZINC000928508745 673914616 /nfs/dbraw/zinc/91/46/16/673914616.db2.gz NERRZORYUDPZKH-ZDUSSCGKSA-N -1 3 359.419 0.862 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCN(C[C@@H](O)C2(O)CCOCC2)CC1 ZINC000929991793 673990717 /nfs/dbraw/zinc/99/07/17/673990717.db2.gz JNSFXGYBLZPMSH-MRXNPFEDSA-N -1 3 350.415 0.052 10 0 FCAEHM CS(=O)(=O)N1CC[C@H](COC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000801257766 675765202 /nfs/dbraw/zinc/76/52/02/675765202.db2.gz VMIHDUVMRYHDEL-VIFPVBQESA-N -1 3 352.368 0.009 10 0 FCAEHM CC[C@H](CNC(=O)[C@@H]1CCO[C@H]1CC)NC(=O)c1c(C)nc[n-]c1=O ZINC001746185198 1192331900 /nfs/dbraw/zinc/33/19/00/1192331900.db2.gz JJGJEFFVLDFUAX-UPJWGTAASA-N -1 3 350.419 0.930 10 0 FCAEHM C[C@@H]1CN(C2CC2)CCN1C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC001648855388 1169054257 /nfs/dbraw/zinc/05/42/57/1169054257.db2.gz ZBNODJRPAMGUIO-LLVKDONJSA-N -1 3 373.425 0.938 10 0 FCAEHM Cc1cccc(C(=O)NCC(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@H]2C)c1 ZINC001719626893 1170841432 /nfs/dbraw/zinc/84/14/32/1170841432.db2.gz ACDWNFRFKJSTAP-OCCSQVGLSA-N -1 3 370.413 0.262 10 0 FCAEHM COc1cccc([C@@H]2C[C@H]2C(=O)NC[C@H](C)NCc2nc(=O)n(C)[n-]2)c1 ZINC001266977069 1171196518 /nfs/dbraw/zinc/19/65/18/1171196518.db2.gz INEXHZANZXIIDY-TUKIKUTGSA-N -1 3 359.430 0.515 10 0 FCAEHM O=C(c1ccc(CN2CCOCC2)cn1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898222467 1192864546 /nfs/dbraw/zinc/86/45/46/1192864546.db2.gz WUDPHFCKTCZWNC-AWEZNQCLSA-N -1 3 357.414 0.972 10 0 FCAEHM CC(C)[C@H](CNC(=O)[C@@H]1CCO[C@H]1C1CC1)NC(=O)c1cnc[n-]c1=O ZINC001746843226 1187903040 /nfs/dbraw/zinc/90/30/40/1187903040.db2.gz SAYQWRDHPWHEPU-SNPRPXQTSA-N -1 3 362.430 0.868 10 0 FCAEHM C[C@@H](NC(=O)NCc1nc2c(c(=O)[n-]1)COCC2)[C@H](O)C(F)(F)F ZINC001687390595 1188338097 /nfs/dbraw/zinc/33/80/97/1188338097.db2.gz DCQBIPBWHAGYOC-LDWIPMOCSA-N -1 3 350.297 0.366 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)CN3CCCCCCC3=O)CC2)n1 ZINC000899500840 1194164749 /nfs/dbraw/zinc/16/47/49/1194164749.db2.gz ZNYQRKFVVQNQMD-UHFFFAOYSA-N -1 3 361.446 0.932 10 0 FCAEHM Cc1cccc(N2CCN(CCC(=O)N[C@@H]3CCO[C@@H]3C(=O)[O-])CC2)c1 ZINC000909942121 1195801671 /nfs/dbraw/zinc/80/16/71/1195801671.db2.gz WKOCOFFIQVCOBE-AEFFLSMTSA-N -1 3 361.442 0.865 10 0 FCAEHM COc1cc(C(=O)N2CCN(C(=O)C(OC)OC)CC2)cc(OC)c1[O-] ZINC000912356822 1196341958 /nfs/dbraw/zinc/34/19/58/1196341958.db2.gz TWQMAZLEXVNWMC-UHFFFAOYSA-N -1 3 368.386 0.313 10 0 FCAEHM CC(=O)N1CCN(C(=O)CCNC(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000593854749 1196671866 /nfs/dbraw/zinc/67/18/66/1196671866.db2.gz BYUMTLWCVULBHV-UHFFFAOYSA-N -1 3 370.409 0.339 10 0 FCAEHM O=C(CN1CCN(Cc2ccccc2)CC1)N1CCC(c2nn[n-]n2)CC1 ZINC000913743470 1197122079 /nfs/dbraw/zinc/12/20/79/1197122079.db2.gz XIFBSCGRUOKYJL-UHFFFAOYSA-N -1 3 369.473 0.724 10 0 FCAEHM CNC(=O)c1cncc(/C=C/C(=O)NCCNC(=O)c2ccc([O-])cc2)c1 ZINC000761966038 1197875620 /nfs/dbraw/zinc/87/56/20/1197875620.db2.gz ZCJDGRPVLMBDDP-FARCUNLSSA-N -1 3 368.393 0.706 10 0 FCAEHM Cn1ncc(C(=O)COC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])n1 ZINC000791714229 1201156588 /nfs/dbraw/zinc/15/65/88/1201156588.db2.gz WNKVXZKITPJSFW-ZDUSSCGKSA-N -1 3 358.354 0.551 10 0 FCAEHM COCC[C@H](COC)NC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC000793987154 1201280376 /nfs/dbraw/zinc/28/03/76/1201280376.db2.gz JRRVAPHQJQBJFU-GFCCVEGCSA-N -1 3 365.361 0.655 10 0 FCAEHM COCC[C@H](COC)NC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000793987154 1201280379 /nfs/dbraw/zinc/28/03/79/1201280379.db2.gz JRRVAPHQJQBJFU-GFCCVEGCSA-N -1 3 365.361 0.655 10 0 FCAEHM Cc1cccc2nc(CNC(=O)C(=O)N=c3ccnc4n(C)[n-]cc3-4)[nH]c21 ZINC000806955753 1202800900 /nfs/dbraw/zinc/80/09/00/1202800900.db2.gz UXTUOHBMVHLMBS-UHFFFAOYSA-N -1 3 363.381 0.781 10 0 FCAEHM CC(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])C[C@@H]2C1 ZINC000816744276 1203078248 /nfs/dbraw/zinc/07/82/48/1203078248.db2.gz CCHPRTARPOMPEV-HLLBOEOZSA-N -1 3 371.437 0.934 10 0 FCAEHM COC(=O)[C@H]1[C@@H]2CN(C(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])C[C@@H]21 ZINC000816958883 1203083686 /nfs/dbraw/zinc/08/36/86/1203083686.db2.gz JLKALYCVQUFKHO-CTASWTNQSA-N -1 3 358.394 0.874 10 0 FCAEHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N(C)CC(N)=O ZINC001136221694 1203158811 /nfs/dbraw/zinc/15/88/11/1203158811.db2.gz RWIRXUCWDRBVTH-UHFFFAOYSA-N -1 3 356.338 0.550 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@]1(C)C[C@@H](O)CN1C(=O)OC(C)(C)C ZINC001144233344 1204439027 /nfs/dbraw/zinc/43/90/27/1204439027.db2.gz XWRYHPJYMRKRPF-QFSBIZTOSA-N -1 3 368.434 0.375 10 0 FCAEHM COC(=O)Cc1n[n-]c(NC(=O)[C@@]2(C)Cc3ccc(C)cc3C(=O)O2)n1 ZINC001147683787 1204803711 /nfs/dbraw/zinc/80/37/11/1204803711.db2.gz MPXFPYCYQCKTPY-QGZVFWFLSA-N -1 3 358.354 0.939 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)[C@@]2(C)Cc3ccc(C)cc3C(=O)O2)n[n-]1 ZINC001147683787 1204803712 /nfs/dbraw/zinc/80/37/12/1204803712.db2.gz MPXFPYCYQCKTPY-QGZVFWFLSA-N -1 3 358.354 0.939 10 0 FCAEHM C[C@]1(C2CCN(C(=O)c3ccc(-c4nnn[n-]4)cn3)CC2)COC(=O)N1 ZINC001178032314 1206351792 /nfs/dbraw/zinc/35/17/92/1206351792.db2.gz OYUVFBCGAIDUAW-MRXNPFEDSA-N -1 3 357.374 0.612 10 0 FCAEHM C[C@]1(C2CCN(C(=O)c3ccc(-c4nn[n-]n4)cn3)CC2)COC(=O)N1 ZINC001178032314 1206351794 /nfs/dbraw/zinc/35/17/94/1206351794.db2.gz OYUVFBCGAIDUAW-MRXNPFEDSA-N -1 3 357.374 0.612 10 0 FCAEHM O=C(CN1CCOCC1=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001179954055 1206387020 /nfs/dbraw/zinc/38/70/20/1206387020.db2.gz CDBONBAJRYHRFJ-UHFFFAOYSA-N -1 3 358.354 0.564 10 0 FCAEHM O=C(CN1CCOCC1=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001179954055 1206387022 /nfs/dbraw/zinc/38/70/22/1206387022.db2.gz CDBONBAJRYHRFJ-UHFFFAOYSA-N -1 3 358.354 0.564 10 0 FCAEHM Cn1cc(-c2cncc(C(=O)N[C@@H]3CCN(c4cc(=O)[n-]cn4)C3)c2)cn1 ZINC001180028191 1206388112 /nfs/dbraw/zinc/38/81/12/1206388112.db2.gz PIRQANUYLAMJFL-OAHLLOKOSA-N -1 3 365.397 0.986 10 0 FCAEHM Cc1c([O-])ccc2c(CN(C)Cc3nnc4n3CCNC4=O)cc(=O)oc12 ZINC001197710253 1208188273 /nfs/dbraw/zinc/18/82/73/1208188273.db2.gz GOURTRNPTVQDJW-UHFFFAOYSA-N -1 3 369.381 0.774 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N(C)[C@H](CNC(=O)[C@]12C[C@H]1COC2)C1CC1 ZINC001487673374 1208391177 /nfs/dbraw/zinc/39/11/77/1208391177.db2.gz FERAARVRQAAJIG-JCGVRSQUSA-N -1 3 360.414 0.494 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@@H](C)NC(=O)c1c(C)nc[n-]c1=O ZINC001487818962 1208400989 /nfs/dbraw/zinc/40/09/89/1208400989.db2.gz ZNCOJIJGSGZPRC-QKCSRTOESA-N -1 3 350.419 0.882 10 0 FCAEHM Cn1ccnc1CN1CCN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)CC1 ZINC000776255251 1208484318 /nfs/dbraw/zinc/48/43/18/1208484318.db2.gz CAOVCKSRZAWSSP-UHFFFAOYSA-N -1 3 372.355 0.584 10 0 FCAEHM CO[C@@H](C(=O)NC[C@H]1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1)c1cnn(C)c1 ZINC001488938587 1208578436 /nfs/dbraw/zinc/57/84/36/1208578436.db2.gz JMNWGOBRZMOMNK-ZKYQVNSYSA-N -1 3 363.422 0.006 10 0 FCAEHM O=C(CCCC1CCCC1)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001489362719 1208823196 /nfs/dbraw/zinc/82/31/96/1208823196.db2.gz OGBMGSAYUGDIKS-HUUCEWRRSA-N -1 3 362.430 0.844 10 0 FCAEHM CC(C)CO[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@@H]1O ZINC001489560774 1208927782 /nfs/dbraw/zinc/92/77/82/1208927782.db2.gz TVRDUXXTHNALHY-XPKDYRNWSA-N -1 3 350.415 0.755 10 0 FCAEHM COC[C@@H](C)C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)c1cnc[n-]c1=O ZINC001489953070 1209178025 /nfs/dbraw/zinc/17/80/25/1209178025.db2.gz WQUKUCTYVRJDKC-UPJWGTAASA-N -1 3 350.419 0.822 10 0 FCAEHM CCNC(=O)CC(=O)N1C[C@@H]2CN(C(=O)c3ccccc3[O-])CC[C@@H]2C1 ZINC001490037357 1209219966 /nfs/dbraw/zinc/21/99/66/1209219966.db2.gz WWLHKFXRSZZTOD-KGLIPLIRSA-N -1 3 359.426 0.839 10 0 FCAEHM CC(C)CC(=O)NCCC(=O)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@H]1C ZINC001490109822 1209236373 /nfs/dbraw/zinc/23/63/73/1209236373.db2.gz ZWIGWVLUNNRTGE-NEPJUHHUSA-N -1 3 350.423 0.076 10 0 FCAEHM CCO[C@@H](C(=O)N[C@H]1CCN(C(=O)c2cnc[n-]c2=O)[C@@H]1C)C(C)C ZINC001490092971 1209251642 /nfs/dbraw/zinc/25/16/42/1209251642.db2.gz OPOQWOQELLRDSD-KWCYVHTRSA-N -1 3 350.419 0.963 10 0 FCAEHM CCOCC1(C(=O)NC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@H]2C)CC1 ZINC001490321470 1209316537 /nfs/dbraw/zinc/31/65/37/1209316537.db2.gz AYGVSUONVVNGHJ-CHWSQXEVSA-N -1 3 362.430 0.823 10 0 FCAEHM CC(C)(C)OC(=O)NCc1cc(=O)[n-]c(CN2C(=O)N[C@@H](CF)C2=O)n1 ZINC000853088470 1209582886 /nfs/dbraw/zinc/58/28/86/1209582886.db2.gz FJEJHTNRWYDNKR-VIFPVBQESA-N -1 3 369.353 0.597 10 0 FCAEHM C[C@]12COC[C@@H]1CN(C(=O)c1nn(-c3ccc(F)cc3)c(=O)cc1[O-])C2 ZINC000855835548 1209682058 /nfs/dbraw/zinc/68/20/58/1209682058.db2.gz LTLJZSLIUNWMNS-VOJFVSQTSA-N -1 3 359.357 0.982 10 0 FCAEHM C[C@]12COC[C@@H]1CN(C(=O)c1nn(-c3ccc(F)cc3)c([O-])cc1=O)C2 ZINC000855835548 1209682060 /nfs/dbraw/zinc/68/20/60/1209682060.db2.gz LTLJZSLIUNWMNS-VOJFVSQTSA-N -1 3 359.357 0.982 10 0 FCAEHM O=C(N[C@@H]1C[C@H](O)C12CCC2)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC000855921313 1209687172 /nfs/dbraw/zinc/68/71/72/1209687172.db2.gz VFEMOQUWJADMKZ-KGLIPLIRSA-N -1 3 359.357 0.907 10 0 FCAEHM O=C(N[C@@H]1C[C@H](O)C12CCC2)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000855921313 1209687175 /nfs/dbraw/zinc/68/71/75/1209687175.db2.gz VFEMOQUWJADMKZ-KGLIPLIRSA-N -1 3 359.357 0.907 10 0 FCAEHM COc1cc(COCC(=O)NCCNC(=O)c2ccc([O-])cc2)ccn1 ZINC000860234643 1209842633 /nfs/dbraw/zinc/84/26/33/1209842633.db2.gz MKKVCEGUZFZMQD-UHFFFAOYSA-N -1 3 359.382 0.859 10 0 FCAEHM CCN1CCN(C(=O)Cc2ccc(NC(=O)CCc3nn[n-]n3)cc2)CC1 ZINC001137164572 1210573619 /nfs/dbraw/zinc/57/36/19/1210573619.db2.gz BVRVXCOHFGLOCH-UHFFFAOYSA-N -1 3 371.445 0.478 10 0 FCAEHM C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000930491171 1211709713 /nfs/dbraw/zinc/70/97/13/1211709713.db2.gz NYIXIMOZENOCKD-QFYYESIMSA-N -1 3 367.396 0.928 10 0 FCAEHM CCN(OC)C(=O)CNC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000827555974 1216631136 /nfs/dbraw/zinc/63/11/36/1216631136.db2.gz GHRJVPOPHZNQCS-UHFFFAOYSA-N -1 3 364.402 0.270 10 0 FCAEHM Cc1cn2nc(C(=O)NCCNC(=O)c3ccc([O-])cc3)cc2c(=O)[nH]1 ZINC001137463648 1216642159 /nfs/dbraw/zinc/64/21/59/1216642159.db2.gz UOGOCXBMAAEXGX-UHFFFAOYSA-N -1 3 355.354 0.196 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCN(C(=O)[C@H]2CCCn3ncnc32)CC1 ZINC001137345458 1219050324 /nfs/dbraw/zinc/05/03/24/1219050324.db2.gz JUTIUBNBGHJCLN-AWEZNQCLSA-N -1 3 355.398 0.846 10 0 FCAEHM CCOC(=O)CN(C)C(=O)COC(=O)c1ccc(NC(=O)OC)c([O-])c1 ZINC000783921952 1221223307 /nfs/dbraw/zinc/22/33/07/1221223307.db2.gz DRRXQVQUOXIDCB-UHFFFAOYSA-N -1 3 368.342 0.749 10 0 FCAEHM Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)cn1 ZINC001118384306 1221771505 /nfs/dbraw/zinc/77/15/05/1221771505.db2.gz OCJFDQHBNCHGMO-AEGPPILISA-N -1 3 373.461 0.685 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC[C@H](O)[C@@H]1CCCO1 ZINC001118946743 1221848660 /nfs/dbraw/zinc/84/86/60/1221848660.db2.gz JIZPJTUXLKKVSS-HOTGVXAUSA-N -1 3 372.425 0.729 10 0 FCAEHM COC1(C[C@@H](NC(=O)NCCN2CCN(C)C(C)(C)C2)C(=O)[O-])CCC1 ZINC001119578398 1221935526 /nfs/dbraw/zinc/93/55/26/1221935526.db2.gz XRRZROOGMSGUQB-CQSZACIVSA-N -1 3 370.494 0.724 10 0 FCAEHM CCN1CCN(C[C@H](C)CNC(=O)N2C[C@H](OC)C[C@]2(C)C(=O)[O-])CC1 ZINC001119638702 1221943550 /nfs/dbraw/zinc/94/35/50/1221943550.db2.gz SFUCQQGZVKUXKC-IIDMSEBBSA-N -1 3 370.494 0.534 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H]1CCCNC1=O ZINC001141197009 1222637637 /nfs/dbraw/zinc/63/76/37/1222637637.db2.gz PVJDDOCCVRFJOQ-AWEZNQCLSA-N -1 3 355.398 0.468 10 0 FCAEHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)c1cc(N2CCOCC2)ncn1 ZINC001141846274 1222782789 /nfs/dbraw/zinc/78/27/89/1222782789.db2.gz SUYNFLIGIJWXCV-UHFFFAOYSA-N -1 3 366.385 0.669 10 0 FCAEHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)c1cc(N2CCOCC2)ncn1 ZINC001141846274 1222782793 /nfs/dbraw/zinc/78/27/93/1222782793.db2.gz SUYNFLIGIJWXCV-UHFFFAOYSA-N -1 3 366.385 0.669 10 0 FCAEHM Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)NCCCc1c[n-][nH]c1=O ZINC001149263199 1222881296 /nfs/dbraw/zinc/88/12/96/1222881296.db2.gz RPSINLYCNRMSKH-UKRRQHHQSA-N -1 3 373.392 0.533 10 0 FCAEHM CCOC(=O)N[C@H](Cc1ccccc1)C(=O)NCCCc1c[n-][nH]c1=O ZINC001149261598 1222881341 /nfs/dbraw/zinc/88/13/41/1222881341.db2.gz AXCMJUNLTPNXIN-LSDHHAIUSA-N -1 3 360.414 0.972 10 0 FCAEHM Cc1noc(COc2ccc(C(=O)NCCCc3c[n-][nH]c3=O)cn2)n1 ZINC001149261682 1222881386 /nfs/dbraw/zinc/88/13/86/1222881386.db2.gz CUNLFJAAEQJUBB-NSHDSACASA-N -1 3 358.358 0.594 10 0 FCAEHM O=C(CCC(=O)N1CCOc2ccccc21)NCCCc1c[n-][nH]c1=O ZINC001149261636 1222881505 /nfs/dbraw/zinc/88/15/05/1222881505.db2.gz BVGAMWXOJDYUAC-CYBMUJFWSA-N -1 3 358.398 0.820 10 0 FCAEHM CNC(=O)COc1cccc(CC(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)c1 ZINC001164321579 1223237373 /nfs/dbraw/zinc/23/73/73/1223237373.db2.gz IRTMPINDBGIAJU-CYBMUJFWSA-N -1 3 358.398 0.799 10 0 FCAEHM CO[C@@H](C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cnc[n-]c2=O)C1)C(C)C ZINC001515149514 1265446478 /nfs/dbraw/zinc/44/64/78/1265446478.db2.gz BATCPAPXMRQQIK-OUCADQQQSA-N -1 3 350.419 0.868 10 0 FCAEHM CCO[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1CNC(=O)[C@@H](C)OC ZINC001515239612 1265476752 /nfs/dbraw/zinc/47/67/52/1265476752.db2.gz HYHKHFDTELRVAC-JHJVBQTASA-N -1 3 366.418 0.119 10 0 FCAEHM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC001329563223 1265782213 /nfs/dbraw/zinc/78/22/13/1265782213.db2.gz PZDKIXPXQOVTHN-KDOFPFPSSA-N -1 3 367.446 0.023 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001519920232 1265801659 /nfs/dbraw/zinc/80/16/59/1265801659.db2.gz DTTLSHYLAICYFM-XTQGRXLLSA-N -1 3 362.434 0.363 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@H]1CCN(C(=O)c2ncc[nH]2)[C@@H]1C ZINC001520859120 1266023077 /nfs/dbraw/zinc/02/30/77/1266023077.db2.gz WMSRLOIHPKBXQK-YPMHNXCESA-N -1 3 358.402 0.566 10 0 FCAEHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CCS(=O)(=O)CCO1 ZINC001520933928 1266044876 /nfs/dbraw/zinc/04/48/76/1266044876.db2.gz NPQGUIMCQGLIEW-UHFFFAOYSA-N -1 3 358.322 0.609 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N1C[C@@H](CNC(=O)C(F)F)[C@H](C)C1 ZINC001521727702 1266168885 /nfs/dbraw/zinc/16/88/85/1266168885.db2.gz MCVLDWXUARJYKJ-MWLCHTKSSA-N -1 3 356.373 0.899 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1CNC(=O)CS(C)(=O)=O ZINC001521821894 1266186499 /nfs/dbraw/zinc/18/64/99/1266186499.db2.gz NPWFZPYLRJFWDN-VXGBXAGGSA-N -1 3 354.428 0.261 10 0 FCAEHM Cn1cnnc1C1CCN(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)CC1 ZINC001251450839 1259748300 /nfs/dbraw/zinc/74/83/00/1259748300.db2.gz HZQCVQYYWJHBMO-ZDUSSCGKSA-N -1 3 372.433 0.479 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCNC(=O)CC1 ZINC001251803913 1259759896 /nfs/dbraw/zinc/75/98/96/1259759896.db2.gz DIEZNMIOGJIMOK-UHFFFAOYSA-N -1 3 355.398 0.421 10 0 FCAEHM NC(=O)[C@H]1CC[C@H](CNC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)CC1 ZINC001252053336 1259775480 /nfs/dbraw/zinc/77/54/80/1259775480.db2.gz MTAKJUMWYZHYCY-JHJVBQTASA-N -1 3 362.434 0.352 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CCNC(=O)CCCC(N)=O ZINC001522005989 1266293093 /nfs/dbraw/zinc/29/30/93/1266293093.db2.gz XAEUKTGZLKOTOC-VXGBXAGGSA-N -1 3 363.418 0.052 10 0 FCAEHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N[C@H]3CCNC3=O)c2)n1 ZINC001261659238 1260174369 /nfs/dbraw/zinc/17/43/69/1260174369.db2.gz DWDLHUDMIVFPHF-ZDUSSCGKSA-N -1 3 369.381 0.355 10 0 FCAEHM CS(=O)(=O)c1cccc2c1CCCN2Cc1cc(=O)n2nc(N)[n-]c2n1 ZINC001261762338 1260185276 /nfs/dbraw/zinc/18/52/76/1260185276.db2.gz OPMQLNFUFNCTKL-UHFFFAOYSA-N -1 3 374.426 0.356 10 0 FCAEHM Cc1nccn1CCCC(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1C ZINC001264723641 1260402055 /nfs/dbraw/zinc/40/20/55/1260402055.db2.gz OYSVOQFTVHKUDX-OCCSQVGLSA-N -1 3 361.450 0.173 10 0 FCAEHM C[C@@H](CN(C)C(=O)[C@H]1C[C@H]1C(N)=O)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC001337472348 1260409028 /nfs/dbraw/zinc/40/90/28/1260409028.db2.gz JWOQDLBHIKGMOF-UHTWSYAYSA-N -1 3 370.409 0.226 10 0 FCAEHM O=C([O-])[C@H]1CC[C@@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)O1 ZINC001332207619 1266357101 /nfs/dbraw/zinc/35/71/01/1266357101.db2.gz KJIRBMQCFNQFLN-WCXIOVBPSA-N -1 3 362.426 0.618 10 0 FCAEHM O=C(CCNC(=O)C1CCC1)N[C@@H]1CCCC[C@H]1NC(=O)c1cn[n-]n1 ZINC001282012690 1261331597 /nfs/dbraw/zinc/33/15/97/1261331597.db2.gz MNZULICVDKGHCP-CHWSQXEVSA-N -1 3 362.434 0.268 10 0 FCAEHM CC[C@H](C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cn[n-]n2)C1)N1CCCC1=O ZINC001282121233 1261346229 /nfs/dbraw/zinc/34/62/29/1261346229.db2.gz HDKVVOUCILZSLS-OUCADQQQSA-N -1 3 362.434 0.220 10 0 FCAEHM CCO[C@@H]1CN(C(=O)CCOC)C[C@H]1CNC(=O)c1c(C)nc[n-]c1=O ZINC001282170023 1261366367 /nfs/dbraw/zinc/36/63/67/1261366367.db2.gz AKRPGSIZYKMBDE-CHWSQXEVSA-N -1 3 366.418 0.120 10 0 FCAEHM CCO[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CNC(=O)[C@H](C)C1CC1 ZINC001282181139 1261372904 /nfs/dbraw/zinc/37/29/04/1261372904.db2.gz UUMGIXUGDVZQJQ-UXIGCNINSA-N -1 3 362.430 0.822 10 0 FCAEHM O=C(C=CC1CC1)NCc1cc(=O)[n-]c(CNC(=O)[C@]23C[C@H]2COC3)n1 ZINC001282232907 1261388002 /nfs/dbraw/zinc/38/80/02/1261388002.db2.gz JZQDNCOSSVICLV-OFXNJDNMSA-N -1 3 358.398 0.417 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)CCC(=O)N(CC)CC ZINC001282267688 1261398294 /nfs/dbraw/zinc/39/82/94/1261398294.db2.gz PXOUQEYJAJFHCG-GXTWGEPZSA-N -1 3 364.450 0.563 10 0 FCAEHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1CCCS(=O)(=O)C[C@@H]1C1CC1 ZINC001472166348 1261446618 /nfs/dbraw/zinc/44/66/18/1261446618.db2.gz VEBPCEHPTNJNRC-CYBMUJFWSA-N -1 3 362.415 0.301 10 0 FCAEHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1CCCS(=O)(=O)C[C@@H]1C1CC1 ZINC001472166348 1261446624 /nfs/dbraw/zinc/44/66/24/1261446624.db2.gz VEBPCEHPTNJNRC-CYBMUJFWSA-N -1 3 362.415 0.301 10 0 FCAEHM CCCCOCC(=O)N1C[C@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@@]2(C)C1 ZINC001282435790 1261451836 /nfs/dbraw/zinc/45/18/36/1261451836.db2.gz GXMVCUDBSHOATQ-SCLBCKFNSA-N -1 3 362.430 0.919 10 0 FCAEHM CCn1c(C)cc2n[n-]c(NC(=O)CNC(=O)c3ccccn3)c2c1=O ZINC001472585194 1261477009 /nfs/dbraw/zinc/47/70/09/1261477009.db2.gz LDGSXTXGPBNXKB-UHFFFAOYSA-N -1 3 354.370 0.816 10 0 FCAEHM O=C1NC[C@H](O)CC12CCN(Cc1nnc(-c3ccccc3[O-])o1)CC2 ZINC001473851619 1261502415 /nfs/dbraw/zinc/50/24/15/1261502415.db2.gz JZOFYVXHBUJCBJ-GFCCVEGCSA-N -1 3 358.398 0.905 10 0 FCAEHM Cc1ccnc(C(=O)N2C[C@@H](C)[C@H](CCNC(=O)c3cnc[n-]c3=O)C2)n1 ZINC001282546041 1261520086 /nfs/dbraw/zinc/52/00/86/1261520086.db2.gz JXTOXMWZXFUYAE-DGCLKSJQSA-N -1 3 370.413 0.809 10 0 FCAEHM O=C(Cc1cnoc1)NC[C@]12CCC[C@H]1N(C(=O)c1cnc[n-]c1=O)CC2 ZINC001282583948 1261541039 /nfs/dbraw/zinc/54/10/39/1261541039.db2.gz LUEVVBNXDJXBTO-RDTXWAMCSA-N -1 3 371.397 0.914 10 0 FCAEHM COc1ccc([C@@H]2C[C@H]2C(=O)NCCNC(=O)c2cnc[n-]c2=O)cc1 ZINC001283039060 1261666122 /nfs/dbraw/zinc/66/61/22/1261666122.db2.gz NLUDBSDGVRKITK-UONOGXRCSA-N -1 3 356.382 0.841 10 0 FCAEHM Cn1nccc1[C@H]1CCCN(c2nnc(-c3cc(=O)[n-]c(N)n3)n2C)C1 ZINC001345332359 1261674656 /nfs/dbraw/zinc/67/46/56/1261674656.db2.gz SYBCPQHYAZTQRB-JTQLQIEISA-N -1 3 355.406 0.677 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NCCCN1CCN(C(=O)c2cnc[n-]c2=O)CC1 ZINC001283822416 1261710802 /nfs/dbraw/zinc/71/08/02/1261710802.db2.gz JDAYKUXIYWLALN-ZIAGYGMSSA-N -1 3 361.446 0.492 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)CNC(=O)CC1CCCC1 ZINC001345479000 1261717413 /nfs/dbraw/zinc/71/74/13/1261717413.db2.gz JPHSJEARQRCRKS-YPMHNXCESA-N -1 3 362.434 0.220 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@H](O)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001285443030 1261845157 /nfs/dbraw/zinc/84/51/57/1261845157.db2.gz DSNPKPBJTGVKHJ-RFQIPJPRSA-N -1 3 362.430 0.524 10 0 FCAEHM O=C(NC1(CCO)CN(C(=O)c2ccccc2[O-])C1)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001285948108 1261894961 /nfs/dbraw/zinc/89/49/61/1261894961.db2.gz PRPSUUYCRZGJDJ-GRDNDAEWSA-N -1 3 374.437 0.901 10 0 FCAEHM CC(C)[C@@H](CCN(C)C(=O)[C@]12C[C@H]1COC2)NC(=O)c1cnc[n-]c1=O ZINC001285990758 1261903449 /nfs/dbraw/zinc/90/34/49/1261903449.db2.gz IYFIZPZWNMCRSE-WRSAYESZSA-N -1 3 362.430 0.822 10 0 FCAEHM O=C(C[C@@H]1C[C@H]1Cc1ccccc1)NC[C@H](CO)NC(=O)c1cn[n-]n1 ZINC001287820590 1261986652 /nfs/dbraw/zinc/98/66/52/1261986652.db2.gz YFQXLDVRHJLDMR-QLFBSQMISA-N -1 3 357.414 0.281 10 0 FCAEHM CCOCC1(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3c(C)nc[n-]c3=O)C2)CC1 ZINC001289387276 1262190748 /nfs/dbraw/zinc/19/07/48/1262190748.db2.gz QPPXJRHSIGGKSX-DGCLKSJQSA-N -1 3 362.430 0.884 10 0 FCAEHM C/C=C(\C)C(=O)N[C@@H]1CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C[C@H]1OC ZINC001289464634 1262211711 /nfs/dbraw/zinc/21/17/11/1262211711.db2.gz ONIVPPUUVJFEAY-LPBFIKQHSA-N -1 3 360.414 0.981 10 0 FCAEHM Cc1nc(C)c(CC(=O)N2C[C@@H](NC(=O)[C@@H](F)C(C)C)[C@@H](O)C2)c(=O)[n-]1 ZINC001289709677 1262318493 /nfs/dbraw/zinc/31/84/93/1262318493.db2.gz KLXMSRDAXBWYBA-IPYPFGDCSA-N -1 3 368.409 0.024 10 0 FCAEHM C[C@@H]1CCN(C(=O)c2cnc[n-]c2=O)[C@H](CNC(=O)Cc2ncc[nH]2)C1 ZINC001290322313 1262426939 /nfs/dbraw/zinc/42/69/39/1262426939.db2.gz ZOESGBVUZDPQLU-NEPJUHHUSA-N -1 3 358.402 0.505 10 0 FCAEHM C[C@@H]1CCN(C(=O)c2cnc[n-]c2=O)[C@H](CNC(=O)Cn2ccnc2)C1 ZINC001290321411 1262427130 /nfs/dbraw/zinc/42/71/30/1262427130.db2.gz FKTHOSCLJHHRRC-OLZOCXBDSA-N -1 3 358.402 0.436 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1CC[C@H](NC(=O)CO[C@H]2CCOC2)[C@H]1C ZINC001290625609 1262479097 /nfs/dbraw/zinc/47/90/97/1262479097.db2.gz MHCBJIUKHRPYMB-AGIUHOORSA-N -1 3 364.402 0.015 10 0 FCAEHM CO[C@H](C(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2cnc[n-]c2=O)C1)C1CC1 ZINC001291633923 1262570327 /nfs/dbraw/zinc/57/03/27/1262570327.db2.gz LJLZIWQXGKRLBB-KYOSRNDESA-N -1 3 362.430 0.822 10 0 FCAEHM COCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001292016757 1262631301 /nfs/dbraw/zinc/63/13/01/1262631301.db2.gz BQMVCUTUZNRWHZ-BZPMIXESSA-N -1 3 360.414 0.958 10 0 FCAEHM CC(C)(C)OC(=O)NC1(CC(=O)N2CCc3c(=O)[n-]cnc3C2)COC1 ZINC001296365755 1262807963 /nfs/dbraw/zinc/80/79/63/1262807963.db2.gz BLPMXIOYHATXLX-UHFFFAOYSA-N -1 3 364.402 0.751 10 0 FCAEHM Nc1ncnc2c1ncn2CCCC(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC001296621109 1262826668 /nfs/dbraw/zinc/82/66/68/1262826668.db2.gz SLNNVFFIXDEPSQ-UHFFFAOYSA-N -1 3 354.374 0.269 10 0 FCAEHM CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC001296620894 1262827124 /nfs/dbraw/zinc/82/71/24/1262827124.db2.gz SBLVRYJQZQNKHH-OLZOCXBDSA-N -1 3 364.402 0.749 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NCC1(NC(=O)[C@]23C[C@H]2COC3)CCCC1 ZINC001297520955 1262876461 /nfs/dbraw/zinc/87/64/61/1262876461.db2.gz CKUDETIOCNBSIC-SGTLLEGYSA-N -1 3 360.414 0.686 10 0 FCAEHM COCCCn1nc(C(=O)Nc2cccc(Cc3nnn[n-]3)c2)ccc1=O ZINC001298992516 1262950273 /nfs/dbraw/zinc/95/02/73/1262950273.db2.gz BNZPJKSYJOGFRL-UHFFFAOYSA-N -1 3 369.385 0.636 10 0 FCAEHM COCCCn1nc(C(=O)Nc2cccc(Cc3nn[n-]n3)c2)ccc1=O ZINC001298992516 1262950282 /nfs/dbraw/zinc/95/02/82/1262950282.db2.gz BNZPJKSYJOGFRL-UHFFFAOYSA-N -1 3 369.385 0.636 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC001301561558 1263011579 /nfs/dbraw/zinc/01/15/79/1263011579.db2.gz NAEXFYAGLCDMLX-UONOGXRCSA-N -1 3 363.462 0.979 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N[C@H]1CCN(C2CCC2)C1=O ZINC001479065873 1263162470 /nfs/dbraw/zinc/16/24/70/1263162470.db2.gz PBPOIBRMZKVYPB-YPMHNXCESA-N -1 3 360.418 0.214 10 0 FCAEHM CCC[C@H](C)NC(=O)CN1CC[C@H](NC(=O)c2c(C)nc[n-]c2=O)[C@H]1C ZINC001479716190 1263379781 /nfs/dbraw/zinc/37/97/81/1263379781.db2.gz VTBBCRWOXTVVTB-YUTCNCBUSA-N -1 3 363.462 0.988 10 0 FCAEHM Cc1n[nH]c(C)c1CCC(=O)NC[C@H]1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001316665286 1263407134 /nfs/dbraw/zinc/40/71/34/1263407134.db2.gz MLLMGSDBPNBJCC-QWHCGFSZSA-N -1 3 361.450 0.858 10 0 FCAEHM CCC1(NCc2n[nH]c(=O)[n-]2)CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC1 ZINC001484816104 1263486696 /nfs/dbraw/zinc/48/66/96/1263486696.db2.gz CRZOMOQEKUKUJR-NEPJUHHUSA-N -1 3 364.450 0.273 10 0 FCAEHM O=C(NC1(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCCCC1)c1cn[n-]n1 ZINC001509274988 1264450124 /nfs/dbraw/zinc/45/01/24/1264450124.db2.gz VQBGDNHKTRAJTG-MIBAYGRRSA-N -1 3 359.430 0.777 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H](C)CN(C)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001510701491 1264509857 /nfs/dbraw/zinc/50/98/57/1264509857.db2.gz XKCYDHSLGQHLIV-ZBINZKHDSA-N -1 3 362.430 0.882 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1NC(=O)CCc1cncnc1 ZINC001513254265 1264996153 /nfs/dbraw/zinc/99/61/53/1264996153.db2.gz JRNGTBGOYRNLCA-BXUZGUMPSA-N -1 3 356.386 0.182 10 0 FCAEHM CO[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1NC(=O)CC(C)(F)F ZINC001513426011 1265116033 /nfs/dbraw/zinc/11/60/33/1265116033.db2.gz VNOXRMUOVZUGSN-NXEZZACHSA-N -1 3 358.345 0.492 10 0 FCAEHM COCC(C)(C)C(=O)N1C[C@H]2CCN(C(=O)c3c(C)nc[n-]c3=O)C[C@H]21 ZINC001513978754 1265310002 /nfs/dbraw/zinc/31/00/02/1265310002.db2.gz JVGQWZVQFFJJJF-CHWSQXEVSA-N -1 3 362.430 0.836 10 0 FCAEHM COCC[C@@H](C)C(=O)N1CC[C@@H]2CN(C(=O)c3c(C)nc[n-]c3=O)[C@@H]2C1 ZINC001514076722 1265320675 /nfs/dbraw/zinc/32/06/75/1265320675.db2.gz OJRLFAOVALBMCY-MRVWCRGKSA-N -1 3 362.430 0.836 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCCO1 ZINC001522300381 1266478997 /nfs/dbraw/zinc/47/89/97/1266478997.db2.gz CDBKIXIMFZNCSY-OJLVUWQFSA-N -1 3 374.441 0.850 10 0 FCAEHM Cn1ccc(=O)c(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC001523788698 1266661772 /nfs/dbraw/zinc/66/17/72/1266661772.db2.gz NIZWCODPBBXEII-UHFFFAOYSA-N -1 3 371.365 0.372 10 0 FCAEHM C[C@H](CCNC(=O)[C@@H]1C[C@H]1C1CCOCC1)NC(=O)c1cnc[n-]c1=O ZINC001527680447 1266914634 /nfs/dbraw/zinc/91/46/34/1266914634.db2.gz JSQMFHCCQPAPQY-KWCYVHTRSA-N -1 3 362.430 0.870 10 0 FCAEHM C[C@H](CCNC(=O)[C@H]1C[C@H]1C(N)=O)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC001527786927 1266924391 /nfs/dbraw/zinc/92/43/91/1266924391.db2.gz JGIUMTXMDQAFKU-RTXFEEFZSA-N -1 3 370.409 0.274 10 0 FCAEHM CO[C@@H]1CN(C(=O)NC[C@H]2CCN2C2CCOCC2)[C@](C)(C(=O)[O-])C1 ZINC001334450116 1267008664 /nfs/dbraw/zinc/00/86/64/1267008664.db2.gz XJTKTMCVLSOYRD-KEYYUXOJSA-N -1 3 355.435 0.513 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)[C@@]1([C@H]2CCCCO2)CCCO1 ZINC001529187396 1267040667 /nfs/dbraw/zinc/04/06/67/1267040667.db2.gz GGQOYOJMWXVJCX-LBTNJELSSA-N -1 3 362.430 0.995 10 0 FCAEHM CC[C@@H](CNC(=O)c1c(C)nc[n-]c1=O)NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001531411723 1267134997 /nfs/dbraw/zinc/13/49/97/1267134997.db2.gz BELZXXNGBCPUFL-PWNZVWSESA-N -1 3 362.430 0.930 10 0 FCAEHM C[C@@H](CNC(=O)CC[C@@H]1CC[C@H](C(F)(F)F)O1)NC(=O)c1cn[n-]n1 ZINC001534254723 1267256118 /nfs/dbraw/zinc/25/61/18/1267256118.db2.gz JYJUOUYQNNLFDI-ATZCPNFKSA-N -1 3 363.340 0.929 10 0 FCAEHM O=C(NC1(CNC(=O)[C@]23C[C@H]2COC3)CC1)c1cc(=O)c2ccccc2[n-]1 ZINC001535521316 1267298037 /nfs/dbraw/zinc/29/80/37/1267298037.db2.gz RMAXAOSXCXLIJI-YUNKPMOVSA-N -1 3 367.405 0.943 10 0 FCAEHM CCOC(=O)c1cccc2[n-]c(NC(=O)CN(C)S(=O)(=O)CC)nc21 ZINC001539380484 1267427250 /nfs/dbraw/zinc/42/72/50/1267427250.db2.gz WXWQOFCRLUGNMS-UHFFFAOYSA-N -1 3 368.415 0.960 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H](C[C@@H]1COCCO1)C(F)(F)F ZINC001542942191 1267513540 /nfs/dbraw/zinc/51/35/40/1267513540.db2.gz SOGKLBQVJOSZFZ-GMTAPVOTSA-N -1 3 351.325 0.599 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H](C[C@H]1COCCO1)C(F)(F)F ZINC001542942192 1267513733 /nfs/dbraw/zinc/51/37/33/1267513733.db2.gz SOGKLBQVJOSZFZ-HBNTYKKESA-N -1 3 351.325 0.599 10 0 FCAEHM C[C@@H]1CC(=O)NCCN1C(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001543501039 1267550969 /nfs/dbraw/zinc/55/09/69/1267550969.db2.gz OEHMULDSELOPBL-SNVBAGLBSA-N -1 3 360.345 0.225 10 0 FCAEHM C[C@@H]1CC(=O)NCCN1C(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001543501039 1267550974 /nfs/dbraw/zinc/55/09/74/1267550974.db2.gz OEHMULDSELOPBL-SNVBAGLBSA-N -1 3 360.345 0.225 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](CC)C(=O)N2CCOCC2)c1 ZINC001545202247 1267607368 /nfs/dbraw/zinc/60/73/68/1267607368.db2.gz UULBVANLADMJTD-AWEZNQCLSA-N -1 3 361.398 0.884 10 0 FCAEHM CCCSCC(=O)N1CC[C@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@H]21 ZINC001340929381 1268714120 /nfs/dbraw/zinc/71/41/20/1268714120.db2.gz OUMBEVSHVUMALK-WCQYABFASA-N -1 3 350.444 0.998 10 0 FCAEHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCS(=O)(=O)[C@H]3COCC[C@H]32)c1 ZINC001556961897 1268910411 /nfs/dbraw/zinc/91/04/11/1268910411.db2.gz MFOIHJRZQYXRRV-HIFRSBDPSA-N -1 3 368.411 0.379 10 0 FCAEHM CC(C)(C)OC(=O)C(=O)N1CCN(C(=O)c2ccc(O)cc2[O-])CC1 ZINC001557310840 1268940921 /nfs/dbraw/zinc/94/09/21/1268940921.db2.gz AMUNGUGCWXAXDG-UHFFFAOYSA-N -1 3 350.371 0.724 10 0 FCAEHM COC(OC)C(=O)NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1 ZINC001557582452 1268955989 /nfs/dbraw/zinc/95/59/89/1268955989.db2.gz XVVHNECUMZGENX-UHFFFAOYSA-N -1 3 356.379 0.442 10 0 FCAEHM Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)NCCCc1c[n-][nH]c1=O ZINC001557700788 1268967879 /nfs/dbraw/zinc/96/78/79/1268967879.db2.gz CTSFCHYFXNHYEG-LBPRGKRZSA-N -1 3 366.443 0.487 10 0 FCAEHM CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)NCCCc1c[n-][nH]c1=O ZINC001557701390 1268967990 /nfs/dbraw/zinc/96/79/90/1268967990.db2.gz OCKVLFIXRTZTNQ-YOEHRIQHSA-N -1 3 374.441 0.834 10 0 FCAEHM CS(=O)(=O)NCCc1ccc(C(=O)NCCCc2c[n-][nH]c2=O)s1 ZINC001557701531 1268968812 /nfs/dbraw/zinc/96/88/12/1268968812.db2.gz JXNOWNHRFBAMMG-JTQLQIEISA-N -1 3 372.472 0.082 10 0 FCAEHM O=C(Cn1cc(Br)cn1)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001558048699 1269013406 /nfs/dbraw/zinc/01/34/06/1269013406.db2.gz KPMBBFMSWJJPCA-UHFFFAOYSA-N -1 3 368.191 0.530 10 0 FCAEHM CCS(=O)(=O)N1CCC(C(=O)NCc2cc(=O)[n-]c(C3CC3)n2)CC1 ZINC001558310378 1269064762 /nfs/dbraw/zinc/06/47/62/1269064762.db2.gz DQSOHECIYFCHPR-UHFFFAOYSA-N -1 3 368.459 0.738 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)C[C@@H]3C=CS(=O)(=O)C3)CC2)n1 ZINC001558399239 1269084572 /nfs/dbraw/zinc/08/45/72/1269084572.db2.gz NEPRYSGXYSZDFZ-LBPRGKRZSA-N -1 3 352.416 0.088 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccccc1-n1ccnn1 ZINC001558698293 1269132854 /nfs/dbraw/zinc/13/28/54/1269132854.db2.gz UWSKPQJKLMBOOD-GFCCVEGCSA-N -1 3 351.370 0.772 10 0 FCAEHM O=C(c1c[n-]c2c(Cl)cccc2c1=O)N1CCS(=O)(=O)CCO1 ZINC001558829165 1269146720 /nfs/dbraw/zinc/14/67/20/1269146720.db2.gz NOSGXNNJGXKAJI-UHFFFAOYSA-N -1 3 356.787 0.984 10 0 FCAEHM CCNC(=O)C1(CNC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)CCC1 ZINC001564683609 1269428159 /nfs/dbraw/zinc/42/81/59/1269428159.db2.gz KRURICKCCZRXBO-GFCCVEGCSA-N -1 3 362.434 0.367 10 0 FCAEHM CS(=O)(=O)C1(CNC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)CCC1 ZINC001564685591 1269429536 /nfs/dbraw/zinc/42/95/36/1269429536.db2.gz JGIHJNOUPWZUHV-NSHDSACASA-N -1 3 369.447 0.027 10 0 FCAEHM O=C(NCc1nc(C(F)(F)F)no1)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001565289848 1269462365 /nfs/dbraw/zinc/46/23/65/1269462365.db2.gz UPRPIMBJZGULBR-ZETCQYMHSA-N -1 3 373.295 0.662 10 0 FCAEHM Cc1nn(C)cc1C1=NO[C@@H](C(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001565613913 1269482593 /nfs/dbraw/zinc/48/25/93/1269482593.db2.gz SKJDIZJKSHDUAS-OAHLLOKOSA-N -1 3 366.385 0.718 10 0 FCAEHM Cc1nn(C)cc1C1=NO[C@@H](C(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001565613913 1269482601 /nfs/dbraw/zinc/48/26/01/1269482601.db2.gz SKJDIZJKSHDUAS-OAHLLOKOSA-N -1 3 366.385 0.718 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H]1OCC[C@H]1NC(=O)OC(C)(C)C ZINC001565612201 1269483388 /nfs/dbraw/zinc/48/33/88/1269483388.db2.gz GNFPFSVZPNYYLI-TUAOUCFPSA-N -1 3 354.407 0.297 10 0 FCAEHM COC[C@@H](C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001342541803 1269507079 /nfs/dbraw/zinc/50/70/79/1269507079.db2.gz BLGWGADSAULZFL-DMDPSCGWSA-N -1 3 350.419 0.740 10 0 FCAEHM COCC1(C(=O)NC[C@H]2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)CCOCC1 ZINC001565896405 1269509523 /nfs/dbraw/zinc/50/95/23/1269509523.db2.gz FICOCZKIHJBLPI-QWHCGFSZSA-N -1 3 367.450 0.328 10 0 FCAEHM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CC[C@@H](NC/C(Cl)=C\Cl)C1 ZINC001565916567 1269516563 /nfs/dbraw/zinc/51/65/63/1269516563.db2.gz LQAQMCBTINFVPE-ICDUHSAJSA-N -1 3 364.233 0.883 10 0 FCAEHM Cn1nc(C(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)cc1C=O ZINC001566279886 1269628525 /nfs/dbraw/zinc/62/85/25/1269628525.db2.gz GYDGJBNCPHPWMJ-UHFFFAOYSA-N -1 3 354.363 0.673 10 0 FCAEHM COC[C@@H](CCO)NC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001566396957 1269638550 /nfs/dbraw/zinc/63/85/50/1269638550.db2.gz DOCPRIQBFTVEKO-LLVKDONJSA-N -1 3 351.334 0.001 10 0 FCAEHM COC[C@@H](CCO)NC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001566396957 1269638562 /nfs/dbraw/zinc/63/85/62/1269638562.db2.gz DOCPRIQBFTVEKO-LLVKDONJSA-N -1 3 351.334 0.001 10 0 FCAEHM CN1C(=O)CN(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)C1=O ZINC001566469534 1269645891 /nfs/dbraw/zinc/64/58/91/1269645891.db2.gz DWEKIVWXXGVTLZ-UHFFFAOYSA-N -1 3 360.779 0.250 10 0 FCAEHM CC(C)CO[C@@H](C)C(=O)N1C[C@H]2CCN(C(=O)c3cnc[n-]c3=O)C[C@H]21 ZINC001343803639 1270016358 /nfs/dbraw/zinc/01/63/58/1270016358.db2.gz FBOLMFHHTVKPRB-GZBFAFLISA-N -1 3 362.430 0.916 10 0 FCAEHM CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cn[n-]n1)N1CCCC1=O ZINC001344104029 1270096443 /nfs/dbraw/zinc/09/64/43/1270096443.db2.gz KDSQATCCGYWGLB-YRGRVCCFSA-N -1 3 362.434 0.363 10 0 FCAEHM C[C@]12COC[C@@H]1CN(c1nnc(-c3cnc[n-]c3=O)n1C[C@H]1CCOC1)C2 ZINC001344183873 1270110533 /nfs/dbraw/zinc/11/05/33/1270110533.db2.gz NOVZZHRTAZJKHY-VBHSOAQHSA-N -1 3 372.429 0.950 10 0 FCAEHM C[C@H](CC(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1O)c1ccccc1 ZINC001572856416 1270276078 /nfs/dbraw/zinc/27/60/78/1270276078.db2.gz CGRADCIQZCBVHT-DAXOMENPSA-N -1 3 370.409 0.678 10 0 FCAEHM O=C(COCC1CC1)N1C[C@H]2CCN(C(=O)c3cnc[n-]c3=O)C[C@H]2C1 ZINC001345015065 1270299334 /nfs/dbraw/zinc/29/93/34/1270299334.db2.gz RXLASYXHBQCDBL-KGLIPLIRSA-N -1 3 360.414 0.529 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)OCC2CC2)C[C@H]1C ZINC001572919073 1270348033 /nfs/dbraw/zinc/34/80/33/1270348033.db2.gz XDADJNOIKHLPDA-MPKXVKKWSA-N -1 3 362.430 0.882 10 0 FCAEHM COCC1(C(=O)N2CC[C@@H]3CN(C(=O)c4cnc[n-]c4=O)[C@@H]3C2)CCC1 ZINC001573056476 1270575507 /nfs/dbraw/zinc/57/55/07/1270575507.db2.gz BALMMFGTRHPEBO-TZMCWYRMSA-N -1 3 360.414 0.672 10 0 FCAEHM O=C(CCc1ccncn1)N[C@@H]1CCCC[C@H]1NC(=O)c1cnc[n-]c1=O ZINC001573088188 1270604778 /nfs/dbraw/zinc/60/47/78/1270604778.db2.gz CIQXQGRKTURZFY-HUUCEWRRSA-N -1 3 370.413 0.762 10 0 FCAEHM C[C@@](O)(CC(=O)NC[C@H]1CC[C@@H](NC(=O)c2cnc[n-]c2=O)C1)C1CC1 ZINC001573168615 1270628944 /nfs/dbraw/zinc/62/89/44/1270628944.db2.gz BPVREKJDELHOID-WHWRDJHUSA-N -1 3 362.430 0.748 10 0 FCAEHM CC(C)C(=O)NCc1nc(CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)cc(=O)[n-]1 ZINC001573247681 1270709413 /nfs/dbraw/zinc/70/94/13/1270709413.db2.gz NAPFOJGIJQSKHH-VXGBXAGGSA-N -1 3 358.402 0.597 10 0 FCAEHM COC[C@H](C)CC(=O)N1C[C@@H]2CN(C(=O)c3cnc[n-]c3=O)CC[C@@H]2C1 ZINC001573389718 1270770913 /nfs/dbraw/zinc/77/09/13/1270770913.db2.gz SEBCICKEPSWYPU-MCIONIFRSA-N -1 3 362.430 0.775 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](CNC(=O)[C@]2(C)CCOC2)[C@H](C)C1 ZINC001573899041 1270924351 /nfs/dbraw/zinc/92/43/51/1270924351.db2.gz PNGDEKKUDQSHQO-AEDCBLDQSA-N -1 3 362.430 0.742 10 0 FCAEHM CNC(=O)NCC(=O)NCC[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC001573998362 1270982700 /nfs/dbraw/zinc/98/27/00/1270982700.db2.gz YXSAPWYRAMHBIS-CHWSQXEVSA-N -1 3 362.430 0.536 10 0 FCAEHM C[C@H](NC(=O)c1ccoc1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn[n-]n1)C2 ZINC001574294943 1271170585 /nfs/dbraw/zinc/17/05/85/1271170585.db2.gz LYDOWWVCCUQDIE-TWJQMWNJSA-N -1 3 372.385 0.078 10 0 FCAEHM COCCOCCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc[n-]c1=O)C2 ZINC001574495728 1271294801 /nfs/dbraw/zinc/29/48/01/1271294801.db2.gz NABLXELQKWAAFV-BNOWGMLFSA-N -1 3 364.402 0.097 10 0 FCAEHM COCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2c(C)nc[n-]c2=O)CC1 ZINC001574521586 1271300831 /nfs/dbraw/zinc/30/08/31/1271300831.db2.gz DCBCOYZNRRCICY-UPJWGTAASA-N -1 3 360.414 0.779 10 0 FCAEHM Cn1ccnc1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O ZINC001574550620 1271340543 /nfs/dbraw/zinc/34/05/43/1271340543.db2.gz CALQPSCJSZNDIW-BNOWGMLFSA-N -1 3 370.413 0.410 10 0 FCAEHM O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCC(CCNCc2n[nH]c(=O)[n-]2)CC1 ZINC001714274470 1287317728 /nfs/dbraw/zinc/31/77/28/1287317728.db2.gz HWGWOXDJQUEIDR-AQRJEWBLSA-N -1 3 361.446 0.652 10 0 FCAEHM CC(C)C[C@@H](CNCc1nc(=O)n(C)[n-]1)NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001714920639 1287338302 /nfs/dbraw/zinc/33/83/02/1287338302.db2.gz ATNDYCSQFOSKNR-RZLSGREXSA-N -1 3 365.478 0.544 10 0 FCAEHM Cn1[n-]c(CNC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2cccnc2)C2CC2)nc1=O ZINC001715122521 1287345417 /nfs/dbraw/zinc/34/54/17/1287345417.db2.gz YXMRSTQWBOYWLN-QMTMVMCOSA-N -1 3 370.457 0.682 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cnn(-c2ccncc2)c1 ZINC001603293598 1287347526 /nfs/dbraw/zinc/34/75/26/1287347526.db2.gz XOTGIBUYUMYFTC-ZDUSSCGKSA-N -1 3 351.370 0.772 10 0 FCAEHM CC(C)[C@H](CNC(=O)[C@]12CCC[C@H]1OCC2)NCc1nc(=O)n(C)[n-]1 ZINC001715496430 1287352066 /nfs/dbraw/zinc/35/20/66/1287352066.db2.gz MOKWGKRTNNIOMI-AHIWAGSCSA-N -1 3 351.451 0.298 10 0 FCAEHM CCCCO[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@@H]1O ZINC001735906735 1289015261 /nfs/dbraw/zinc/01/52/61/1289015261.db2.gz RJVQAPJWIMSRAQ-XPKDYRNWSA-N -1 3 350.415 0.899 10 0 FCAEHM C[C@@H](CNC(=O)[C@]12C[C@H]1COC2)N(C)C(=O)c1nnc2ccccc2c1[O-] ZINC001718169381 1287466702 /nfs/dbraw/zinc/46/67/02/1287466702.db2.gz PGEUMFMPBSFZBO-ZKTNFTSUSA-N -1 3 370.409 0.949 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H](C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001718562359 1287519433 /nfs/dbraw/zinc/51/94/33/1287519433.db2.gz ULLRCYCKFCZMPX-MVWJERBFSA-N -1 3 358.402 0.594 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H](CO)CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001718620319 1287532684 /nfs/dbraw/zinc/53/26/84/1287532684.db2.gz XLMWHCGXOVCKOO-XJFOESAGSA-N -1 3 360.414 0.300 10 0 FCAEHM CC(C)(C)C(=O)N1CCO[C@@H](C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)C1 ZINC001583358617 1282082571 /nfs/dbraw/zinc/08/25/71/1282082571.db2.gz QLIFSIVSPDHKNR-WCQYABFASA-N -1 3 350.419 0.705 10 0 FCAEHM COCc1ccnc(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)c1 ZINC001583392519 1282087650 /nfs/dbraw/zinc/08/76/50/1282087650.db2.gz HTGRMGGDVSTPPI-UHFFFAOYSA-N -1 3 369.175 0.892 10 0 FCAEHM O=C(NCCNc1ncccn1)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001583418478 1282089325 /nfs/dbraw/zinc/08/93/25/1282089325.db2.gz GJBAFKAWFYLFIX-UHFFFAOYSA-N -1 3 370.344 0.506 10 0 FCAEHM O=C(NCCNc1ncccn1)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001583418478 1282089338 /nfs/dbraw/zinc/08/93/38/1282089338.db2.gz GJBAFKAWFYLFIX-UHFFFAOYSA-N -1 3 370.344 0.506 10 0 FCAEHM CN(CC(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1)S(=O)(=O)c1ccccc1 ZINC001631825239 1282115825 /nfs/dbraw/zinc/11/58/25/1282115825.db2.gz DYCJBJRLPPFHMD-LBPRGKRZSA-N -1 3 364.427 0.752 10 0 FCAEHM O=C([C@H](O)[C@@H](O)c1nc2ccccc2[nH]1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001631827130 1282118558 /nfs/dbraw/zinc/11/85/58/1282118558.db2.gz VNBZUPBUIQVATJ-DFKRKDTASA-N -1 3 357.370 0.402 10 0 FCAEHM O=C(CCNC(=O)c1[nH]nc2ccccc21)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001631842366 1282122115 /nfs/dbraw/zinc/12/21/15/1282122115.db2.gz GBGGQZUBRVRNKH-UHFFFAOYSA-N -1 3 372.410 0.784 10 0 FCAEHM NS(=O)(=O)c1ccc(F)c(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)c1 ZINC001631839286 1282123052 /nfs/dbraw/zinc/12/30/52/1282123052.db2.gz QSAUMGZBXDMCGB-UHFFFAOYSA-N -1 3 358.376 0.187 10 0 FCAEHM COCc1ncc2c(n1)CCN(C(=O)c1ccc(-c3nnn[n-]3)cn1)C2 ZINC001631998065 1282148415 /nfs/dbraw/zinc/14/84/15/1282148415.db2.gz JFOLGUSEHKFSQK-UHFFFAOYSA-N -1 3 352.358 0.397 10 0 FCAEHM COCc1ncc2c(n1)CCN(C(=O)c1ccc(-c3nn[n-]n3)cn1)C2 ZINC001631998065 1282148423 /nfs/dbraw/zinc/14/84/23/1282148423.db2.gz JFOLGUSEHKFSQK-UHFFFAOYSA-N -1 3 352.358 0.397 10 0 FCAEHM CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2s[n-]c(=O)c2Cl)CC1 ZINC001632367674 1282170791 /nfs/dbraw/zinc/17/07/91/1282170791.db2.gz WIOBMFODVMFMAP-VIFPVBQESA-N -1 3 358.851 0.881 10 0 FCAEHM O=C(N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1)c1cc(F)cc2n[n-]nc21 ZINC001632719726 1282200363 /nfs/dbraw/zinc/20/03/63/1282200363.db2.gz DSNMTXXAKSTEDK-ZUZCIYMTSA-N -1 3 368.390 0.563 10 0 FCAEHM O=C(N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1)c1cc(F)cc2n[n-]nc21 ZINC001632719723 1282200856 /nfs/dbraw/zinc/20/08/56/1282200856.db2.gz DSNMTXXAKSTEDK-BMIGLBTASA-N -1 3 368.390 0.563 10 0 FCAEHM COc1ccc(C(=O)NCCc2c(C)[n-][nH]c2=O)cc1N1CCNC1=O ZINC001632758066 1282204915 /nfs/dbraw/zinc/20/49/15/1282204915.db2.gz BKFQLLDYCTVJNA-GFCCVEGCSA-N -1 3 359.386 0.467 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C1(C(=O)OC(C)(C)C)CCOCC1 ZINC001585162981 1282206799 /nfs/dbraw/zinc/20/67/99/1282206799.db2.gz CCPAKSYFOPFKFQ-LBPRGKRZSA-N -1 3 353.419 0.753 10 0 FCAEHM CN1CCN(Cc2ccc(C(=O)NCCCc3c[n-][nH]c3=O)s2)CC1 ZINC001585936846 1282258670 /nfs/dbraw/zinc/25/86/70/1282258670.db2.gz BZMRSCQIGCCTFL-ZDUSSCGKSA-N -1 3 363.487 0.737 10 0 FCAEHM CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)NCCCc2c[n-][nH]c2=O)C1 ZINC001585938563 1282259230 /nfs/dbraw/zinc/25/92/30/1282259230.db2.gz ZJPNUGFSQYNUPE-JQWIXIFHSA-N -1 3 356.398 0.820 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCCC[C@H]1CCOC1=O ZINC001633877865 1282280230 /nfs/dbraw/zinc/28/02/30/1282280230.db2.gz YUDNMIVSVYIKJV-QMMMGPOBSA-N -1 3 374.191 0.171 10 0 FCAEHM CC(C)CNC(=O)N1CCC[C@H](C(=O)NCCCc2c[n-][nH]c2=O)C1 ZINC001634143461 1282303540 /nfs/dbraw/zinc/30/35/40/1282303540.db2.gz JTTLKXNICOIKMK-KBPBESRZSA-N -1 3 351.451 0.692 10 0 FCAEHM CCOC(=O)[C@@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)[C@@H](O)c1ccncc1 ZINC001634776620 1282355153 /nfs/dbraw/zinc/35/51/53/1282355153.db2.gz MEOVZOMUWBATIF-GJZGRUSLSA-N -1 3 372.381 0.850 10 0 FCAEHM COC(=O)c1ccc(CC(=O)N2CCN(c3nc(C)cc(=O)[n-]3)CC2)cn1 ZINC001634977493 1282368305 /nfs/dbraw/zinc/36/83/05/1282368305.db2.gz FQPIQDJIYFTUIP-UHFFFAOYSA-N -1 3 371.397 0.564 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](COC)[C@H]2CCCOC2)c(C)o1 ZINC001634982432 1282370261 /nfs/dbraw/zinc/37/02/61/1282370261.db2.gz MDJKJDGHSXVGJZ-WCQYABFASA-N -1 3 360.432 0.668 10 0 FCAEHM COc1ccc([C@]2(C)NC(=O)N([N-]C(=O)c3ccnc(CO)c3)C2=O)cc1 ZINC001635978156 1282449177 /nfs/dbraw/zinc/44/91/77/1282449177.db2.gz XQGFSKBGSLFYPI-SFHVURJKSA-N -1 3 370.365 0.695 10 0 FCAEHM CCOC(=O)c1[n-]nnc1[C@H]1CCCN1C(=O)[C@@H]1CN(CC)CCO1 ZINC001637909424 1282639248 /nfs/dbraw/zinc/63/92/48/1282639248.db2.gz GMJLLSATTNRQHV-NEPJUHHUSA-N -1 3 351.407 0.366 10 0 FCAEHM CCOC(=O)c1nn[n-]c1[C@H]1CCCN1C(=O)[C@@H]1CN(CC)CCO1 ZINC001637909424 1282639262 /nfs/dbraw/zinc/63/92/62/1282639262.db2.gz GMJLLSATTNRQHV-NEPJUHHUSA-N -1 3 351.407 0.366 10 0 FCAEHM CCOC(=O)c1n[n-]nc1[C@H]1CCCN1C(=O)[C@@H]1CN(CC)CCO1 ZINC001637909424 1282639278 /nfs/dbraw/zinc/63/92/78/1282639278.db2.gz GMJLLSATTNRQHV-NEPJUHHUSA-N -1 3 351.407 0.366 10 0 FCAEHM O=C(NCC[C@@H]1CNC(=O)C1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001638211223 1282674603 /nfs/dbraw/zinc/67/46/03/1282674603.db2.gz OVDHYLTXKLMJTE-ZDUSSCGKSA-N -1 3 360.414 0.386 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)c3ccc4ncn(C)c4n3)CC2)n1 ZINC001638493102 1282701245 /nfs/dbraw/zinc/70/12/45/1282701245.db2.gz LNEBRRGVAZYBMP-UHFFFAOYSA-N -1 3 353.386 0.735 10 0 FCAEHM Cn1nc(C2CC2)cc1CNC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001638642984 1282711807 /nfs/dbraw/zinc/71/18/07/1282711807.db2.gz KMCMGORRMPOLKQ-LBPRGKRZSA-N -1 3 357.418 0.871 10 0 FCAEHM CCn1c(C)cc2n[n-]c(NC(=O)CN3CCCCC(=O)C3=O)c2c1=O ZINC001638834690 1282724666 /nfs/dbraw/zinc/72/46/66/1282724666.db2.gz MGBHVIDLRKNIIY-UHFFFAOYSA-N -1 3 359.386 0.573 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CCC(O)(C(F)F)CC1 ZINC001638865098 1282728855 /nfs/dbraw/zinc/72/88/55/1282728855.db2.gz GYZYRYPJINUMSI-SNVBAGLBSA-N -1 3 357.361 0.563 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CCC(Cn2ccnn2)CC1 ZINC001638865536 1282728900 /nfs/dbraw/zinc/72/89/00/1282728900.db2.gz SUCQUJWGKXUOHG-AWEZNQCLSA-N -1 3 372.433 0.474 10 0 FCAEHM COCC[C@@]1(NC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)CCOC1 ZINC001638865584 1282729124 /nfs/dbraw/zinc/72/91/24/1282729124.db2.gz VACWDSWYEYZZOS-MLGOLLRUSA-N -1 3 351.407 0.256 10 0 FCAEHM C[C@H](CC(=O)NC[C@H]1CNC(=O)C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC001639187177 1282756881 /nfs/dbraw/zinc/75/68/81/1282756881.db2.gz PJFOFESAJGOMTQ-ZJUUUORDSA-N -1 3 374.850 0.044 10 0 FCAEHM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C1(C)C ZINC001639629780 1282799743 /nfs/dbraw/zinc/79/97/43/1282799743.db2.gz CGNPEDOCUANXTC-NXEZZACHSA-N -1 3 352.391 0.126 10 0 FCAEHM C[C@@]1(C[C@@H]2CCCN2C(=O)c2cc(=O)[n-]c(C3CC3)n2)NC(=O)NC1=O ZINC001640482984 1282866175 /nfs/dbraw/zinc/86/61/75/1282866175.db2.gz FGAJVPFHKLOHKH-BTDLBPIBSA-N -1 3 359.386 0.652 10 0 FCAEHM Cc1nc(C)c(CC(=O)N2CCC(C(=O)NCCCO)CC2)c(=O)[n-]1 ZINC001641380782 1282945516 /nfs/dbraw/zinc/94/55/16/1282945516.db2.gz ATYAKPVKCQVPHX-UHFFFAOYSA-N -1 3 350.419 0.079 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)CC2CCC3(CC2)OCCO3)[n-]1 ZINC001641468403 1282954821 /nfs/dbraw/zinc/95/48/21/1282954821.db2.gz UREHWSKLOIDTFS-UHFFFAOYSA-N -1 3 352.391 0.921 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2CC3(CO2)CCOCC3)c(C)o1 ZINC001642900222 1283048021 /nfs/dbraw/zinc/04/80/21/1283048021.db2.gz NNLPOERVAXXDMN-GFCCVEGCSA-N -1 3 372.443 0.812 10 0 FCAEHM COC(=O)[C@]1(OC)CCN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC001680399049 1283428785 /nfs/dbraw/zinc/42/87/85/1283428785.db2.gz OMECSYYRJABQNF-NSHDSACASA-N -1 3 351.285 0.297 10 0 FCAEHM O=C(NCc1nc(C(F)(F)F)n[n-]1)NCc1cn(C2CC2)c(=O)[nH]c1=O ZINC001680399380 1283428852 /nfs/dbraw/zinc/42/88/52/1283428852.db2.gz UBFPDMUBNWACOR-UHFFFAOYSA-N -1 3 373.295 0.420 10 0 FCAEHM CCCC[C@H](C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1O)C(C)C ZINC001682495129 1283624851 /nfs/dbraw/zinc/62/48/51/1283624851.db2.gz NDYUZUCYSIRQDX-NWANDNLSSA-N -1 3 364.446 0.946 10 0 FCAEHM CCCSCC(=O)N1C[C@@H](NC(=O)c2cccc3n[n-]nc32)[C@@H](O)C1 ZINC001683484989 1284003508 /nfs/dbraw/zinc/00/35/08/1284003508.db2.gz UXZVIXMJNHZPNB-OLZOCXBDSA-N -1 3 363.443 0.403 10 0 FCAEHM CC[C@H](CC(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@@H]1O)C(C)(C)C ZINC001683577353 1284044325 /nfs/dbraw/zinc/04/43/25/1284044325.db2.gz RMILEGUQCREZNZ-BNOWGMLFSA-N -1 3 364.446 0.946 10 0 FCAEHM O=C(CCc1ccon1)NC[C@H]1CC[C@@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001702540919 1285712184 /nfs/dbraw/zinc/71/21/84/1285712184.db2.gz DIBXUHZCMFJUJQ-WCQYABFASA-N -1 3 359.386 0.818 10 0 FCAEHM C[C@H](Oc1ccccn1)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC001702544402 1285715347 /nfs/dbraw/zinc/71/53/47/1285715347.db2.gz XPRDOEFOHIMQMQ-RWMBFGLXSA-N -1 3 358.402 0.682 10 0 FCAEHM O=C(CCOC1CCOCC1)NC[C@H]1CC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC001702556069 1285723531 /nfs/dbraw/zinc/72/35/31/1285723531.db2.gz HVFIJGKUCYEMKE-QWHCGFSZSA-N -1 3 365.434 0.405 10 0 FCAEHM CC(C)=CC(=O)NCc1nc(CNC(=O)[C@H]2OCCO[C@H]2C)cc(=O)[n-]1 ZINC001702603633 1285750005 /nfs/dbraw/zinc/75/00/05/1285750005.db2.gz CRJNTDPGCDFIQM-ZBEGNZNMSA-N -1 3 364.402 0.185 10 0 FCAEHM O=C(NCc1nc(CNC(=O)[C@@H]2CCO[C@H]2C2CC2)cc(=O)[n-]1)C(F)F ZINC001702603595 1285750821 /nfs/dbraw/zinc/75/08/21/1285750821.db2.gz BMVWNNDRUFHTIV-MFKMUULPSA-N -1 3 370.356 0.495 10 0 FCAEHM CC[C@H](C)CC(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@]23C[C@H]2COC3)n1 ZINC001702604692 1285751141 /nfs/dbraw/zinc/75/11/41/1285751141.db2.gz VVPJOAUJXFBQNF-PZROIBLQSA-N -1 3 362.430 0.887 10 0 FCAEHM Cc1[nH]nc(C(=O)N2C[C@@H]3CN(C(=O)CN(C)C(C)C)C[C@]3(C)C2)c1[O-] ZINC001702768422 1285844642 /nfs/dbraw/zinc/84/46/42/1285844642.db2.gz GJZXFRCTQYCMFG-SCLBCKFNSA-N -1 3 363.462 0.684 10 0 FCAEHM CCCN(C)CC(=O)N1C[C@@H](CNC(=O)c2[nH]nc(C)c2[O-])[C@H](C)C1 ZINC001702790674 1285868855 /nfs/dbraw/zinc/86/88/55/1285868855.db2.gz RYCHBIBDGYVAFD-DGCLKSJQSA-N -1 3 351.451 0.590 10 0 FCAEHM C[C@@H](C(=O)NC[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1C)S(C)(=O)=O ZINC001702803423 1285888630 /nfs/dbraw/zinc/88/86/30/1285888630.db2.gz FXNBJARHIJHLDS-FRRDWIJNSA-N -1 3 368.455 0.650 10 0 FCAEHM COC[C@H](C)CC(=O)NC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001702816339 1285908380 /nfs/dbraw/zinc/90/83/80/1285908380.db2.gz JEWQJOVXDNZIBH-JHJVBQTASA-N -1 3 350.419 0.679 10 0 FCAEHM C[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1CCNC(=O)c1cnc[n-]c1=O ZINC001702843651 1285937237 /nfs/dbraw/zinc/93/72/37/1285937237.db2.gz GKTIPMYGKULGTP-VXGBXAGGSA-N -1 3 358.402 0.362 10 0 FCAEHM C[C@@]1(CCC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cn[n-]n2)C3)CCC(=O)N1 ZINC001702928318 1286005520 /nfs/dbraw/zinc/00/55/20/1286005520.db2.gz LUJWKUBALBGKEW-PBYNLASCSA-N -1 3 360.418 0.115 10 0 FCAEHM C[C@@H](OCc1ccncc1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn[n-]n1)C2 ZINC001702929869 1286006760 /nfs/dbraw/zinc/00/67/60/1286006760.db2.gz VQFXAXRFYZNFRG-UYHMYPTGSA-N -1 3 370.413 0.667 10 0 FCAEHM O=C(CCc1cnccn1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O ZINC001702949693 1286017348 /nfs/dbraw/zinc/01/73/48/1286017348.db2.gz LGGGLQQOMWQNSY-SNPRPXQTSA-N -1 3 368.397 0.467 10 0 FCAEHM CC(C)(C)OC(=O)C1=NO[C@H](C(=O)N2CCC(Cc3nnn[n-]3)CC2)C1 ZINC001593921048 1286221348 /nfs/dbraw/zinc/22/13/48/1286221348.db2.gz QNHILPFNNVABAX-LBPRGKRZSA-N -1 3 364.406 0.467 10 0 FCAEHM CC(C)(C)OC(=O)C1=NO[C@H](C(=O)N2CCC(Cc3nn[n-]n3)CC2)C1 ZINC001593921048 1286221355 /nfs/dbraw/zinc/22/13/55/1286221355.db2.gz QNHILPFNNVABAX-LBPRGKRZSA-N -1 3 364.406 0.467 10 0 FCAEHM O=C(NCc1cc(=O)[n-]c(C2CC2)n1)C1CCC2(CC1)NC(=O)NC2=O ZINC001595602098 1286255498 /nfs/dbraw/zinc/25/54/98/1286255498.db2.gz BGPBXXQBPXTWKK-UHFFFAOYSA-N -1 3 359.386 0.444 10 0 FCAEHM CNC(=O)CN1CCCN(C(=O)c2cc(OC)c([O-])c(OC)c2)CC1 ZINC001596937035 1286320939 /nfs/dbraw/zinc/32/09/39/1286320939.db2.gz UUDOANZGKRUFCY-UHFFFAOYSA-N -1 3 351.403 0.303 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@@H](O)CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001704943519 1286327550 /nfs/dbraw/zinc/32/75/50/1286327550.db2.gz HVEUAYUOYCVCIM-ZOBORPQBSA-N -1 3 360.414 0.300 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC1(CNC(=O)[C@@H]2CCO[C@H]2C2CC2)CC1 ZINC001705286423 1286372309 /nfs/dbraw/zinc/37/23/09/1286372309.db2.gz KXRXNXVPAXCKCW-OCCSQVGLSA-N -1 3 360.414 0.684 10 0 FCAEHM COCC(C)(C)CC(=O)N1CC[C@@H](C)C[C@H]1CNCc1nc(=O)n(C)[n-]1 ZINC001707160200 1286482815 /nfs/dbraw/zinc/48/28/15/1286482815.db2.gz MSLGPHKBWZDFNW-KGLIPLIRSA-N -1 3 367.494 0.888 10 0 FCAEHM C[C@@H]1CCCN(C(=O)[C@H]2CCNC2=O)[C@@H]1CCCNCc1n[nH]c(=O)[n-]1 ZINC001707175392 1286490090 /nfs/dbraw/zinc/49/00/90/1286490090.db2.gz UOERCXXEPKKRLK-FRRDWIJNSA-N -1 3 364.450 0.143 10 0 FCAEHM COCCC(=O)NC[C@H]1CC[C@@H](NC(=O)Cc2c(C)nc(C)[n-]c2=O)C1 ZINC001736079928 1289131577 /nfs/dbraw/zinc/13/15/77/1289131577.db2.gz JUBRJXHTMKHTCU-UONOGXRCSA-N -1 3 364.446 0.779 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CN(C(=O)CCCCC(N)=O)C[C@H]1C ZINC001719197137 1287857667 /nfs/dbraw/zinc/85/76/67/1287857667.db2.gz XAFDVSPXUNSHFK-ZYHUDNBSSA-N -1 3 363.418 0.113 10 0 FCAEHM CO[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1NC(=O)CSC(C)C ZINC001719214300 1287875846 /nfs/dbraw/zinc/87/58/46/1287875846.db2.gz FDTCIGPJPORHJH-VXGBXAGGSA-N -1 3 368.459 0.588 10 0 FCAEHM Cc1nccn1CC(=O)NC[C@H]1CC[C@@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001736099767 1289143669 /nfs/dbraw/zinc/14/36/69/1289143669.db2.gz OUNIUCVNJDUBSU-QWHCGFSZSA-N -1 3 358.402 0.402 10 0 FCAEHM CCC[C@H](C)C(=O)N[C@@H]1CN(C(=O)CCc2c(C)nc[n-]c2=O)C[C@@H]1O ZINC001719261981 1287972203 /nfs/dbraw/zinc/97/22/03/1287972203.db2.gz IOINZTQCXDOUNZ-GLQYFDAESA-N -1 3 364.446 0.547 10 0 FCAEHM CCCC[C@](C)(F)C(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@@H]1O ZINC001719285701 1288030663 /nfs/dbraw/zinc/03/06/63/1288030663.db2.gz MMQMGIGCXVOGPP-PEBVRCNWSA-N -1 3 368.409 0.711 10 0 FCAEHM C[C@H](C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ccccc2[O-])C1)S(C)(=O)=O ZINC001736109467 1289151305 /nfs/dbraw/zinc/15/13/05/1289151305.db2.gz XHKJUQZJLZCUKG-FRRDWIJNSA-N -1 3 368.455 0.840 10 0 FCAEHM CCC1(C(=O)N[C@@H]2CN(C(=O)c3c(C)nc[n-]c3=O)C[C@@H]2O)CCCC1 ZINC001719305542 1288075470 /nfs/dbraw/zinc/07/54/70/1288075470.db2.gz QXKMSWUORRYARR-OLZOCXBDSA-N -1 3 362.430 0.763 10 0 FCAEHM CCCN(C)CC(=O)N[C@@H]1CC[C@H](CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001719442748 1288118191 /nfs/dbraw/zinc/11/81/91/1288118191.db2.gz CBMFBPQMEUPRSB-QWHCGFSZSA-N -1 3 351.451 0.780 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)NC[C@@H](NC(=O)c1c(C)nc[n-]c1=O)C1CC1 ZINC001720740719 1288260627 /nfs/dbraw/zinc/26/06/27/1288260627.db2.gz JCEOHCSJYZEJRK-KYOSRNDESA-N -1 3 362.430 0.930 10 0 FCAEHM C[C@@H](CNC(=O)c1cc(=O)[n-]c(C2CC2)n1)CNC(=O)[C@]12C[C@H]1COC2 ZINC001721599267 1288355617 /nfs/dbraw/zinc/35/56/17/1288355617.db2.gz BJYAJUPHCRCKQO-RSNWOKGLSA-N -1 3 360.414 0.578 10 0 FCAEHM O=C(NC[C@H](NCc1cc(=O)n2[n-]ccc2n1)C1CC1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001731405210 1288556412 /nfs/dbraw/zinc/55/64/12/1288556412.db2.gz NCFHRNCTZYRPOJ-WCVJEAGWSA-N -1 3 371.441 0.575 10 0 FCAEHM O=C([N-]CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@]12C[C@H]1COC2)C(F)(F)F ZINC001732142176 1288576369 /nfs/dbraw/zinc/57/63/69/1288576369.db2.gz CSVJAVGOINQBEJ-ASHKBJFXSA-N -1 3 361.364 0.377 10 0 FCAEHM O=C(CCOCC(F)F)N1C[C@@H](O)[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001735729669 1288814064 /nfs/dbraw/zinc/81/40/64/1288814064.db2.gz XEJTWKSVEHQVBN-DGCLKSJQSA-N -1 3 358.341 0.366 10 0 FCAEHM CC(C)CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001735757608 1288864491 /nfs/dbraw/zinc/86/44/91/1288864491.db2.gz LPDLWGVUFILCKI-CHWSQXEVSA-N -1 3 350.419 0.556 10 0 FCAEHM CCOCC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)c1c(C)nc[n-]c1=O ZINC001736162334 1289182420 /nfs/dbraw/zinc/18/24/20/1289182420.db2.gz TWHPIABUYMRION-YPMHNXCESA-N -1 3 350.419 0.884 10 0 FCAEHM O=C(CCn1cccn1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O ZINC001736458246 1289363247 /nfs/dbraw/zinc/36/32/47/1289363247.db2.gz ONYJYYPZICJVLF-XBFCOCLRSA-N -1 3 356.386 0.331 10 0 FCAEHM CC(C)CCC(=O)NCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn[n-]n1)C2 ZINC001736564041 1289445198 /nfs/dbraw/zinc/44/51/98/1289445198.db2.gz DOVASDRXFXVKCX-BZPMIXESSA-N -1 3 362.434 0.219 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1ccnn1C ZINC001738597047 1289709639 /nfs/dbraw/zinc/70/96/39/1289709639.db2.gz TXUVHRMTWIDHIA-MVWJERBFSA-N -1 3 358.402 0.262 10 0 FCAEHM O=C(CCCn1ccnc1)N1C[C@@H]2CCN(C(=O)c3cnc[n-]c3=O)[C@@H]2C1 ZINC001702140804 1289743302 /nfs/dbraw/zinc/74/33/02/1289743302.db2.gz ISRCPNWQDXLPKK-DZGCQCFKSA-N -1 3 370.413 0.532 10 0 FCAEHM O=C(NC[C@H](CO)NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)c1cccc2n[n-]nc21 ZINC001738884019 1289745570 /nfs/dbraw/zinc/74/55/70/1289745570.db2.gz GRTQAJIAMVQCEN-QVHKTLOISA-N -1 3 369.425 0.767 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NC[C@H](CO)NC(=O)c1nnc2ccccc2c1[O-] ZINC001738911656 1289763370 /nfs/dbraw/zinc/76/33/70/1289763370.db2.gz HXWNNJSKMLKSRS-NQBHXWOUSA-N -1 3 358.398 0.588 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1nc(N(C)C)ncc1Br ZINC001615963693 1289766263 /nfs/dbraw/zinc/76/62/63/1289766263.db2.gz RANAJXFGLFWPLH-MRVPVSSYSA-N -1 3 369.223 0.547 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)N(C)C[C@@H](O)CNC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC001739064302 1289789564 /nfs/dbraw/zinc/78/95/64/1289789564.db2.gz OYHRPUUHBGXGEW-VNHYZAJKSA-N -1 3 364.446 0.323 10 0 FCAEHM CC(C)CCCCC(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1O ZINC001702202178 1289856485 /nfs/dbraw/zinc/85/64/85/1289856485.db2.gz OKHWDOQPKSQXOP-ZIAGYGMSSA-N -1 3 350.419 0.700 10 0 FCAEHM C[C@H](NC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])C(=O)NCCF ZINC001617744813 1289863721 /nfs/dbraw/zinc/86/37/21/1289863721.db2.gz UMBMMHZEDNEWCQ-VIFPVBQESA-N -1 3 366.324 0.078 10 0 FCAEHM C[C@H](NC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O)C(=O)NCCF ZINC001617744813 1289863736 /nfs/dbraw/zinc/86/37/36/1289863736.db2.gz UMBMMHZEDNEWCQ-VIFPVBQESA-N -1 3 366.324 0.078 10 0 FCAEHM COC1(CC(=O)N2CC[C@H]3CN(C(=O)c4cnc[n-]c4=O)C[C@H]32)CCC1 ZINC001739374614 1289870222 /nfs/dbraw/zinc/87/02/22/1289870222.db2.gz YAOFPJVEOBAXLV-GXTWGEPZSA-N -1 3 360.414 0.814 10 0 FCAEHM CCC[C@@H](OC)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001702277407 1289950127 /nfs/dbraw/zinc/95/01/27/1289950127.db2.gz PQEHSSDILNJCTQ-RAIGVLPGSA-N -1 3 350.419 0.882 10 0 FCAEHM CC(C)[C@@H](F)C(=O)N[C@@H]1CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C[C@H]1O ZINC001739454614 1290025205 /nfs/dbraw/zinc/02/52/05/1290025205.db2.gz IDMDUTFORQEBKA-YRGRVCCFSA-N -1 3 366.393 0.355 10 0 FCAEHM CCC[C@H](C(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1)C(C)C ZINC001702364603 1290137756 /nfs/dbraw/zinc/13/77/56/1290137756.db2.gz CRNVBBRADANNNB-YUTCNCBUSA-N -1 3 350.419 0.556 10 0 FCAEHM CO[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1NC(=O)COC1CCCC1 ZINC001739557382 1290156124 /nfs/dbraw/zinc/15/61/24/1290156124.db2.gz CECHXQLOSSNDPC-ZIAGYGMSSA-N -1 3 364.402 0.097 10 0 FCAEHM O=C(NCCNC(=O)c1ccc([O-])cc1)c1coc2c1C(=O)NCCC2 ZINC001622743807 1290182593 /nfs/dbraw/zinc/18/25/93/1290182593.db2.gz KIEJCLXRPBCODV-UHFFFAOYSA-N -1 3 357.366 0.821 10 0 FCAEHM C/C=C(\C)C(=O)N1C[C@@H](NC(=O)CCc2c(C)nc[n-]c2=O)[C@H](OC)C1 ZINC001739581538 1290193051 /nfs/dbraw/zinc/19/30/51/1290193051.db2.gz XEDXLFMVYZCELC-FBSZCEHHSA-N -1 3 362.430 0.731 10 0 FCAEHM COc1cccc(C(=O)Nc2cnn(C[C@H](O)CN(C)OC)c2)c1[O-] ZINC001623157640 1290202180 /nfs/dbraw/zinc/20/21/80/1290202180.db2.gz BHVBOGHXSOZFAM-GFCCVEGCSA-N -1 3 350.375 0.704 10 0 FCAEHM COc1cccc(C(=O)Nc2cnn(C[C@@H](O)CN(C)OC)c2)c1[O-] ZINC001623157641 1290202229 /nfs/dbraw/zinc/20/22/29/1290202229.db2.gz BHVBOGHXSOZFAM-LBPRGKRZSA-N -1 3 350.375 0.704 10 0 FCAEHM Cn1c(=O)[nH]cc1C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001623567905 1290225344 /nfs/dbraw/zinc/22/53/44/1290225344.db2.gz WTGNNLAKMNFVIW-UHFFFAOYSA-N -1 3 364.836 0.549 10 0 FCAEHM CNC(=O)C1CCN(C(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])CC1 ZINC001624759932 1290294225 /nfs/dbraw/zinc/29/42/25/1290294225.db2.gz CGAOGVIMOHIDNC-UHFFFAOYSA-N -1 3 374.372 0.472 10 0 FCAEHM CNC(=O)C1CCN(C(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)CC1 ZINC001624759932 1290294235 /nfs/dbraw/zinc/29/42/35/1290294235.db2.gz CGAOGVIMOHIDNC-UHFFFAOYSA-N -1 3 374.372 0.472 10 0 FCAEHM O=C(CO)NCCC(=O)Nc1ccc(I)cc1[O-] ZINC001625026067 1290314615 /nfs/dbraw/zinc/31/46/15/1290314615.db2.gz KFYQNBKBTKFAOV-UHFFFAOYSA-N -1 3 364.139 0.434 10 0 FCAEHM CCC[C@@H](C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@@H]1O)C(C)C ZINC001739689747 1290366010 /nfs/dbraw/zinc/36/60/10/1290366010.db2.gz BWJGMKFBRQPFDU-BNOWGMLFSA-N -1 3 350.419 0.556 10 0 FCAEHM COC(=O)[C@@H]1CCCN(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001626198570 1290380220 /nfs/dbraw/zinc/38/02/20/1290380220.db2.gz QAEFTYVJZAEFJY-GFCCVEGCSA-N -1 3 358.358 0.217 10 0 FCAEHM C[C@H](NC(=O)/C=C/CN1CCOCC1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001627090599 1290436322 /nfs/dbraw/zinc/43/63/22/1290436322.db2.gz KRLJHCGARJBISG-HHAVJRIZSA-N -1 3 362.430 0.755 10 0 FCAEHM CCS(=O)(=O)c1ccccc1CC(=O)NCCc1c(C)[n-][nH]c1=O ZINC001627152027 1290440668 /nfs/dbraw/zinc/44/06/68/1290440668.db2.gz BLORJWGKHVXHLF-CYBMUJFWSA-N -1 3 351.428 0.651 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)NCc1nc(CNC(=O)C(F)F)cc(=O)[n-]1 ZINC001739983160 1290458702 /nfs/dbraw/zinc/45/87/02/1290458702.db2.gz OMMNOLXYFHJYEU-PELKAZGASA-N -1 3 358.345 0.495 10 0 FCAEHM CCOCC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001739984486 1290459081 /nfs/dbraw/zinc/45/90/81/1290459081.db2.gz ALTUDTYPPKDNRI-GDBMZVCRSA-N -1 3 357.414 0.956 10 0 FCAEHM CCNS(=O)(=O)c1cccc(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)c1 ZINC001628255011 1290520523 /nfs/dbraw/zinc/52/05/23/1290520523.db2.gz KQHIZZMEDSYTOS-UHFFFAOYSA-N -1 3 368.440 0.699 10 0 FCAEHM CO[C@H](CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn[n-]n1)C2)C(F)(F)F ZINC001740371860 1290545682 /nfs/dbraw/zinc/54/56/82/1290545682.db2.gz QBOFMTXNCABAPG-DEKFOEGESA-N -1 3 361.324 0.634 10 0 FCAEHM CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)[N-]c2nnc3[nH]cnn23)C1 ZINC001628997720 1290568337 /nfs/dbraw/zinc/56/83/37/1290568337.db2.gz CREKFIBQOKEKRI-AWEZNQCLSA-N -1 3 351.367 0.417 10 0 FCAEHM CC(C)(C)OC(=O)N[C@@H]1CCO[C@](C)(C(=O)[N-]c2nnc3[nH]cnn23)C1 ZINC001628997673 1290568558 /nfs/dbraw/zinc/56/85/58/1290568558.db2.gz AUHQHXHWWIFMJX-PSLIRLAXSA-N -1 3 365.394 0.853 10 0 FCAEHM CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)NCCCc2c[n-][nH]c2=O)C1 ZINC001630631985 1290683059 /nfs/dbraw/zinc/68/30/59/1290683059.db2.gz ONSASZRACWSKED-NEPJUHHUSA-N -1 3 350.419 0.872 10 0 FCAEHM CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCc1c[n-][nH]c1=O ZINC001630631081 1290683647 /nfs/dbraw/zinc/68/36/47/1290683647.db2.gz FCHSSNQFRGDSFZ-SUMWQHHRSA-N -1 3 369.425 0.843 10 0 FCAEHM CS(=O)(=O)Nc1cc(C(=O)NCCCc2c[n-][nH]c2=O)ccc1Cl ZINC001630631239 1290683752 /nfs/dbraw/zinc/68/37/52/1290683752.db2.gz GEGFZJHIJWPLAL-SNVBAGLBSA-N -1 3 372.834 0.953 10 0 FCAEHM CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)NCCCc2c[n-][nH]c2=O)=NO1 ZINC001630632735 1290684522 /nfs/dbraw/zinc/68/45/22/1290684522.db2.gz XFMSPVDMRXOGRR-QWRGUYRKSA-N -1 3 367.406 0.284 10 0 FCAEHM CC[C@@H](O)Cn1cc(C(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)nn1 ZINC001631301212 1290724045 /nfs/dbraw/zinc/72/40/45/1290724045.db2.gz PCPRTJPCTXUJLZ-SECBINFHSA-N -1 3 358.358 0.964 10 0 FCAEHM O=C1Nc2ncc(Br)cc2C[C@@H]1N=c1ncnc2[nH][n-]cc1-2 ZINC001643282431 1290870204 /nfs/dbraw/zinc/87/02/04/1290870204.db2.gz FDKDIATYCTTZLC-VIFPVBQESA-N -1 3 360.175 0.859 10 0 FCAEHM C[C@](O)(CN1Cc2ccccc2C1=O)C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001644260785 1290950894 /nfs/dbraw/zinc/95/08/94/1290950894.db2.gz GMDKJWFOAAABBL-YJYMSZOUSA-N -1 3 370.409 0.838 10 0 FCAEHM CC(=O)N1C[C@H](C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)Oc2ccccc21 ZINC001644268645 1290951969 /nfs/dbraw/zinc/95/19/69/1290951969.db2.gz GCEVSVAMKCNMEI-CYBMUJFWSA-N -1 3 360.395 0.901 10 0 FCAEHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC001644269049 1290952166 /nfs/dbraw/zinc/95/21/66/1290952166.db2.gz VZVPLMSVNBRLBZ-UHFFFAOYSA-N -1 3 373.394 0.453 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)c3cnc4n(c3=O)CCS4)CC2)n1 ZINC001644863221 1290990113 /nfs/dbraw/zinc/99/01/13/1290990113.db2.gz CIGWPCAIXXLAAB-UHFFFAOYSA-N -1 3 374.426 0.115 10 0 FCAEHM CS(C)(=O)=NCCNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001646084935 1291057672 /nfs/dbraw/zinc/05/76/72/1291057672.db2.gz BWBGDFNCGOTZRN-UHFFFAOYSA-N -1 3 373.909 0.524 10 0 FCAEHM CN1CCO[C@@H](C(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)C1=O ZINC001646348317 1291064546 /nfs/dbraw/zinc/06/45/46/1291064546.db2.gz VIAORRRVODLXAU-AWEZNQCLSA-N -1 3 358.354 0.562 10 0 FCAEHM CN1CCO[C@@H](C(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)C1=O ZINC001646348317 1291064555 /nfs/dbraw/zinc/06/45/55/1291064555.db2.gz VIAORRRVODLXAU-AWEZNQCLSA-N -1 3 358.354 0.562 10 0 FCAEHM COC(=O)[C@@H]1CN(C(=O)c2cc3c(cc2[O-])OCO3)C[C@H]1C(=O)OC ZINC001647950139 1291088771 /nfs/dbraw/zinc/08/87/71/1291088771.db2.gz UOGYKHFYQNEFLV-NXEZZACHSA-N -1 3 351.311 0.155 10 0 FCAEHM CNC(=O)NC[C@@H]1COCCN1Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC001648118437 1291102920 /nfs/dbraw/zinc/10/29/20/1291102920.db2.gz FWHMKKYWMCHGDC-CYBMUJFWSA-N -1 3 361.398 0.937 10 0 FCAEHM CCCOCC(=O)N[C@H]1CCN(C(=O)Cc2c(C)nc(C)[n-]c2=O)[C@@H]1C ZINC001649493634 1291166006 /nfs/dbraw/zinc/16/60/06/1291166006.db2.gz UPHKUZSKNYCNAB-DOMZBBRYSA-N -1 3 364.446 0.874 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)[C@H]2CCN2Cc2ccc(OC)cc2)[n-]1 ZINC001650943294 1291187903 /nfs/dbraw/zinc/18/79/03/1291187903.db2.gz FHBCNKGYXMCVQK-CQSZACIVSA-N -1 3 373.413 0.881 10 0 FCAEHM CCOC(=O)c1nc(CNC(=O)[C@H]2CCN2Cc2ccc(OC)cc2)n[n-]1 ZINC001650943294 1291187909 /nfs/dbraw/zinc/18/79/09/1291187909.db2.gz FHBCNKGYXMCVQK-CQSZACIVSA-N -1 3 373.413 0.881 10 0 FCAEHM CCOC(=O)c1n[n-]c(CNC(=O)[C@H]2CCN2Cc2ccc(OC)cc2)n1 ZINC001650943294 1291187912 /nfs/dbraw/zinc/18/79/12/1291187912.db2.gz FHBCNKGYXMCVQK-CQSZACIVSA-N -1 3 373.413 0.881 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)C[C@H]3CCCS(=O)(=O)C3)CC2)n1 ZINC001652070998 1291258012 /nfs/dbraw/zinc/25/80/12/1291258012.db2.gz MABYSRMLGRTVAJ-CYBMUJFWSA-N -1 3 368.459 0.354 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N[C@@H]1CC[C@@H](O)[C@@H](O)C1 ZINC001652818381 1291303870 /nfs/dbraw/zinc/30/38/70/1291303870.db2.gz RYCVIAQQVOPCDT-HLTSFMKQSA-N -1 3 368.864 0.070 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)OC)C[C@H]32)c(C)o1 ZINC001652966446 1291314664 /nfs/dbraw/zinc/31/46/64/1291314664.db2.gz AFUGWIBTJHEWQH-WFFHOREQSA-N -1 3 370.427 0.814 10 0 FCAEHM O=C(CSc1nnc2ccccn21)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001653312739 1291334771 /nfs/dbraw/zinc/33/47/71/1291334771.db2.gz NGXMEOSBQMRQPK-NSHDSACASA-N -1 3 371.426 0.712 10 0 FCAEHM O=C(Cc1ccc2c(c1)NC(=O)C2)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001653314188 1291336010 /nfs/dbraw/zinc/33/60/10/1291336010.db2.gz ZNUCNNBQRJDSEL-CYBMUJFWSA-N -1 3 353.382 0.614 10 0 FCAEHM Cc1noc(C2(NC(=O)Cn3cc(Br)c(=O)[n-]c3=O)CC2)n1 ZINC001653704666 1291363276 /nfs/dbraw/zinc/36/32/76/1291363276.db2.gz IUPVLUWDBCZMBV-UHFFFAOYSA-N -1 3 370.163 0.208 10 0 FCAEHM CNS(=O)(=O)C[C@H]1CCCN(Cc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC001654412865 1291409308 /nfs/dbraw/zinc/40/93/08/1291409308.db2.gz YSGKYCIMODIGGE-NSHDSACASA-N -1 3 356.448 0.016 10 0 FCAEHM COc1cnc([C@H]2CCCN2C[C@H](O)CC2(O)CCOCC2)[n-]c1=O ZINC001655020108 1291449801 /nfs/dbraw/zinc/44/98/01/1291449801.db2.gz QKFZEUCPESGHOW-CHWSQXEVSA-N -1 3 353.419 0.620 10 0 FCAEHM COc1cnc([C@H]2CCCN2C[C@@H](O)CC2(O)CCOCC2)[n-]c1=O ZINC001655020110 1291449820 /nfs/dbraw/zinc/44/98/20/1291449820.db2.gz QKFZEUCPESGHOW-QWHCGFSZSA-N -1 3 353.419 0.620 10 0 FCAEHM O=C(NC[C@H]1CCN1C1CCOCC1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001676337503 1292200329 /nfs/dbraw/zinc/20/03/29/1292200329.db2.gz FCQGVWICAPFBJO-GXTWGEPZSA-N -1 3 364.450 0.653 10 0 FCAEHM CN(C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)[C@@H]1CCCCN(C)C1=O ZINC001676589147 1292210997 /nfs/dbraw/zinc/21/09/97/1292210997.db2.gz VNKFDFLSZOLGKP-QWHCGFSZSA-N -1 3 362.434 0.413 10 0 FCAEHM O=C(N[C@@H]1CCN(c2ccccn2)C1)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001679179751 1292296893 /nfs/dbraw/zinc/29/68/93/1292296893.db2.gz CPFLTKXMECCMQZ-ZIAGYGMSSA-N -1 3 369.429 0.734 10 0 FCAEHM O=C(N[C@@H]1CCN(c2ccccn2)C1)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001679179746 1292297461 /nfs/dbraw/zinc/29/74/61/1292297461.db2.gz CPFLTKXMECCMQZ-KGLIPLIRSA-N -1 3 369.429 0.734 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)CCCC(=O)N(C)C ZINC001684954117 1292381486 /nfs/dbraw/zinc/38/14/86/1292381486.db2.gz XOVCNXKTWZSJNJ-WCQYABFASA-N -1 3 350.423 0.173 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2c(C)nc[n-]c2=O)CCN1C(=O)[C@@H](C)NC(C)=O ZINC001684983262 1292390243 /nfs/dbraw/zinc/39/02/43/1292390243.db2.gz LVRNYMSIGCZWPV-KGYLQXTDSA-N -1 3 363.418 0.125 10 0 FCAEHM CCS(=O)(=O)NCC(=O)N[C@H]1CCN(C(=O)c2ccccc2[O-])[C@@H]1C ZINC001685264161 1292474134 /nfs/dbraw/zinc/47/41/34/1292474134.db2.gz UQHPWADJVURCSI-YPMHNXCESA-N -1 3 369.443 0.051 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CCNC(=O)[C@]1(C)CCOC1 ZINC001685880318 1292673759 /nfs/dbraw/zinc/67/37/59/1292673759.db2.gz KNMAEDZYIAUAOB-SNUQEOBHSA-N -1 3 362.430 0.823 10 0 FCAEHM CC(=O)N[C@@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3n[n-]nc31)C2 ZINC001686014035 1292731087 /nfs/dbraw/zinc/73/10/87/1292731087.db2.gz VEJIJTGGINYSNP-OKFJQDPLSA-N -1 3 370.413 0.344 10 0 FCAEHM CN(CCCNC(=O)c1nnc2ccccc2c1[O-])C(=O)[C@H]1C[C@H]1C(N)=O ZINC001687640366 1292998070 /nfs/dbraw/zinc/99/80/70/1292998070.db2.gz HYZVCQKSLJCUDG-NEPJUHHUSA-N -1 3 371.397 0.035 10 0 FCAEHM CCN(CCCNC(=O)[C@@H]1CCO[C@H]1C1CC1)C(=O)c1cnc[n-]c1=O ZINC001687755073 1293010435 /nfs/dbraw/zinc/01/04/35/1293010435.db2.gz YMGIBAMHWOOAJA-HIFRSBDPSA-N -1 3 362.430 0.966 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)NC(=O)CCc1c(C)nc[n-]c1=O ZINC001688170205 1293046585 /nfs/dbraw/zinc/04/65/85/1293046585.db2.gz WABGHGQMCYHZBU-DFBGVHRSSA-N -1 3 364.446 0.859 10 0 FCAEHM COc1c(F)cc(CC(=O)[N-]OCc2cccnc2)cc1S(N)(=O)=O ZINC000746945534 836204871 /nfs/dbraw/zinc/20/48/71/836204871.db2.gz XEAHOHJLBMRCIY-UHFFFAOYSA-N -1 3 369.374 0.667 10 0 FCAEHM CC[S@](=O)CC[N-]S(=O)(=O)c1ccc(F)c(C(=O)OC)c1F ZINC000749179778 836346022 /nfs/dbraw/zinc/34/60/22/836346022.db2.gz HZDYGBGTTIVTFZ-NRFANRHFSA-N -1 3 355.384 0.798 10 0 FCAEHM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]Cc1cccnc1N(C)C ZINC000751005161 836457247 /nfs/dbraw/zinc/45/72/47/836457247.db2.gz SGAGSUZYZJYSPB-UHFFFAOYSA-N -1 3 367.431 0.834 10 0 FCAEHM COC(=O)c1nscc1S(=O)(=O)[N-]C[C@@H](O)c1ccccc1OC ZINC000751223113 836473078 /nfs/dbraw/zinc/47/30/78/836473078.db2.gz SXJROFYCSZZNQP-SNVBAGLBSA-N -1 3 372.424 0.950 10 0 FCAEHM O=C([O-])CN1CCC(NS(=O)(=O)c2ccc(C(F)(F)F)nc2)CC1 ZINC001116663542 846729815 /nfs/dbraw/zinc/72/98/15/846729815.db2.gz PMFINKYDEFIVIH-UHFFFAOYSA-N -1 3 367.349 0.928 10 0 FCAEHM COCn1nc(C)c(S(=O)(=O)[N-]N=c2cc(Cl)nc(N)[nH]2)c1C ZINC001118061648 847266164 /nfs/dbraw/zinc/26/61/64/847266164.db2.gz YKDWCYXVHRSFET-UHFFFAOYSA-N -1 3 361.815 0.435 10 0 FCAEHM Cc1n[n-]c(S(=O)(=O)Cc2ccc(S(=O)(=O)N(C)C)s2)n1 ZINC001118061255 847266944 /nfs/dbraw/zinc/26/69/44/847266944.db2.gz RHRBYGSDNJWAFA-UHFFFAOYSA-N -1 3 350.447 0.399 10 0 FCAEHM Cc1nnc(S(=O)(=O)Cc2ccc(S(=O)(=O)N(C)C)s2)[n-]1 ZINC001118061255 847266953 /nfs/dbraw/zinc/26/69/53/847266953.db2.gz RHRBYGSDNJWAFA-UHFFFAOYSA-N -1 3 350.447 0.399 10 0 FCAEHM Cc1nc(S(=O)(=O)Cc2ccc(S(=O)(=O)N(C)C)s2)n[n-]1 ZINC001118061255 847266965 /nfs/dbraw/zinc/26/69/65/847266965.db2.gz RHRBYGSDNJWAFA-UHFFFAOYSA-N -1 3 350.447 0.399 10 0 FCAEHM Cc1nc(C)c(CCC(=O)NCCS(=O)(=O)CC(F)(F)F)c(=O)[n-]1 ZINC001118776939 847578669 /nfs/dbraw/zinc/57/86/69/847578669.db2.gz QJJYLRXILPPPTL-UHFFFAOYSA-N -1 3 369.365 0.825 10 0 FCAEHM CC[C@@]1(C(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)CCNC1=O ZINC001126992946 848714501 /nfs/dbraw/zinc/71/45/01/848714501.db2.gz SCPUMWANHWYEBZ-OAHLLOKOSA-N -1 3 357.407 0.730 10 0 FCAEHM O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1nc[n-]c(=O)c1Br ZINC001136492916 849223921 /nfs/dbraw/zinc/22/39/21/849223921.db2.gz NMLQBEWVMRQCJP-IUCAKERBSA-N -1 3 357.208 0.538 10 0 FCAEHM CC[C@@H](Sc1nc(CC(=O)Nc2nnc(OC)[n-]2)cs1)C(N)=O ZINC001137568050 849271856 /nfs/dbraw/zinc/27/18/56/849271856.db2.gz XJCFUYWVRGLKDX-SSDOTTSWSA-N -1 3 356.433 0.807 10 0 FCAEHM CC[C@@H](Sc1nc(CC(=O)Nc2n[n-]c(OC)n2)cs1)C(N)=O ZINC001137568050 849271862 /nfs/dbraw/zinc/27/18/62/849271862.db2.gz XJCFUYWVRGLKDX-SSDOTTSWSA-N -1 3 356.433 0.807 10 0 FCAEHM CC[C@@H](Sc1nc(CC(=O)Nc2nc(OC)n[n-]2)cs1)C(N)=O ZINC001137568050 849271872 /nfs/dbraw/zinc/27/18/72/849271872.db2.gz XJCFUYWVRGLKDX-SSDOTTSWSA-N -1 3 356.433 0.807 10 0 FCAEHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)/C=C1\SCC(=O)N1C ZINC001140273127 849360191 /nfs/dbraw/zinc/36/01/91/849360191.db2.gz UTHYESJBKKFVKH-HUUAODSYSA-N -1 3 364.427 0.913 10 0 FCAEHM CC(C)(C)OC(=O)C1=NO[C@H](C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)C1 ZINC001144502713 849524007 /nfs/dbraw/zinc/52/40/07/849524007.db2.gz OIEVBLBSAVQBIU-CABZTGNLSA-N -1 3 350.375 0.918 10 0 FCAEHM Cc1n[nH]nc1NC(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC001149277709 849634135 /nfs/dbraw/zinc/63/41/35/849634135.db2.gz NAYYFCXGPDDWLM-ZETCQYMHSA-N -1 3 358.811 0.857 10 0 FCAEHM O=C(CNS(=O)(=O)c1ccc(F)cc1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001164321323 850406177 /nfs/dbraw/zinc/40/61/77/850406177.db2.gz ILTDSLJNRYDJKX-SNVBAGLBSA-N -1 3 368.390 0.549 10 0 FCAEHM Cc1ccc(S(N)(=O)=O)c(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)c1 ZINC001164320713 850406837 /nfs/dbraw/zinc/40/68/37/850406837.db2.gz CNMFLRWEMFTDIO-SNVBAGLBSA-N -1 3 350.400 0.701 10 0 FCAEHM CC(C)(C)OC(=O)NCCOCC(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001164320727 850406861 /nfs/dbraw/zinc/40/68/61/850406861.db2.gz CSOLXICDKCUHCW-NSHDSACASA-N -1 3 354.407 0.973 10 0 FCAEHM CN(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)cc1 ZINC001164323338 850407794 /nfs/dbraw/zinc/40/77/94/850407794.db2.gz VYIPVVZCLVVZQY-LBPRGKRZSA-N -1 3 364.427 0.995 10 0 FCAEHM CN(C)S(=O)(=O)c1ccc(C(=O)NCCCc2c[n-][nH]c2=O)cc1 ZINC001168404894 850585271 /nfs/dbraw/zinc/58/52/71/850585271.db2.gz PQZHUUAHQZFCTD-LBPRGKRZSA-N -1 3 352.416 0.179 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCC2(S(=O)(=O)N(C)C)CC2)c1 ZINC001177994798 850879035 /nfs/dbraw/zinc/87/90/35/850879035.db2.gz WLJPDCWTXJNVEV-UHFFFAOYSA-N -1 3 367.427 0.671 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)NC1(c2ncon2)CC1 ZINC001179148051 850958488 /nfs/dbraw/zinc/95/84/88/850958488.db2.gz SEYXJFAPNQRBRE-UHFFFAOYSA-N -1 3 362.820 0.868 10 0 FCAEHM C[C@@H](NC(=O)Cn1nc2n(c1=O)CCCC2)c1nc(C(F)(F)F)n[n-]1 ZINC001179182132 850960597 /nfs/dbraw/zinc/96/05/97/850960597.db2.gz BKXRZWURHPBAGE-SSDOTTSWSA-N -1 3 359.312 0.395 10 0 FCAEHM CC(C)(C)OC(=O)NOCC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001180027426 851010320 /nfs/dbraw/zinc/01/03/20/851010320.db2.gz JUQIKPLGCCZJRG-SNVBAGLBSA-N -1 3 353.379 0.333 10 0 FCAEHM CS(=O)(=O)NC[C@H]1CCN(Cc2cc(=O)oc3cc([O-])ccc23)C1 ZINC001197571947 853134804 /nfs/dbraw/zinc/13/48/04/853134804.db2.gz AJVAKDJYGHBUMC-LLVKDONJSA-N -1 3 352.412 0.870 10 0 FCAEHM CO[C@@H](CS(=O)(=O)N1CCc2nc[n-]c(=O)c2C1)C1CCOCC1 ZINC001261454775 858553214 /nfs/dbraw/zinc/55/32/14/858553214.db2.gz QWBKOGLXGFPJLQ-AWEZNQCLSA-N -1 3 357.432 0.312 10 0 FCAEHM Cc1c(C(=O)[O-])cnn1C1CCN(CCCS(=O)(=O)N(C)C)CC1 ZINC001261521563 858578226 /nfs/dbraw/zinc/57/82/26/858578226.db2.gz ZGXOPLXBAZHOQU-UHFFFAOYSA-N -1 3 358.464 0.808 10 0 FCAEHM O=S(=O)(NN=c1ncc(Br)c[n-]1)c1cnc2n1CCC2 ZINC001261552688 858590258 /nfs/dbraw/zinc/59/02/58/858590258.db2.gz AJHOHJCHOJSMRQ-UHFFFAOYSA-N -1 3 359.209 0.687 10 0 FCAEHM O=C(C[N-]S(=O)(=O)Cc1ncsc1Br)N1CCCC1 ZINC001261852785 858686132 /nfs/dbraw/zinc/68/61/32/858686132.db2.gz NOROAOROQYNQRM-UHFFFAOYSA-N -1 3 368.278 0.947 10 0 FCAEHM CCS(=O)(=O)NCCN1CC[C@H](NC(=O)c2ccccc2[O-])[C@H]1C ZINC001264688318 859419677 /nfs/dbraw/zinc/41/96/77/859419677.db2.gz HBXKRGWGVNBCNU-OCCSQVGLSA-N -1 3 355.460 0.524 10 0 FCAEHM CCCSCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC001281673251 863608253 /nfs/dbraw/zinc/60/82/53/863608253.db2.gz UXZVIXMJNHZPNB-CHWSQXEVSA-N -1 3 363.443 0.403 10 0 FCAEHM CC[C@@H](C)OCC(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1C ZINC001281755295 863711470 /nfs/dbraw/zinc/71/14/70/863711470.db2.gz WTPBTMNHBHHBIR-NQBHXWOUSA-N -1 3 350.419 0.882 10 0 FCAEHM CNC(=O)CCCCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cn[n-]n1 ZINC001282012838 864041527 /nfs/dbraw/zinc/04/15/27/864041527.db2.gz WVJIUOKEMOZCRG-VXGBXAGGSA-N -1 3 350.423 0.268 10 0 FCAEHM COC[C@@H](C)C(=O)N1C[C@@H](CNC(=O)c2c(C)nc[n-]c2=O)[C@H](C)C1 ZINC001282504493 864310995 /nfs/dbraw/zinc/31/09/95/864310995.db2.gz LGSASVCQZXOIMW-NQBHXWOUSA-N -1 3 350.419 0.597 10 0 FCAEHM CC[C@@H](OC)C(=O)NC[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1C ZINC001290879824 865540982 /nfs/dbraw/zinc/54/09/82/865540982.db2.gz ANLAEMQYPIAGBB-RAIGVLPGSA-N -1 3 350.419 0.740 10 0 FCAEHM COCCC(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001291666851 865611981 /nfs/dbraw/zinc/61/19/81/865611981.db2.gz RDIQDHUEUFRSKK-DGCLKSJQSA-N -1 3 350.419 0.742 10 0 FCAEHM COCCCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([N-]C(=O)C(F)F)C1 ZINC001292328623 865732850 /nfs/dbraw/zinc/73/28/50/865732850.db2.gz NTFIAYNVLXJOMU-RKDXNWHRSA-N -1 3 362.295 0.810 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N(CCCO)CC(OC)OC)c1 ZINC001296688335 865984381 /nfs/dbraw/zinc/98/43/81/865984381.db2.gz SEADZHSLXDSWAA-UHFFFAOYSA-N -1 3 352.387 0.960 10 0 FCAEHM CCS(=O)(=O)c1ccc(C(=O)NCCCc2cc(=O)[nH][n-]2)c(N)c1 ZINC001298792186 866132092 /nfs/dbraw/zinc/13/20/92/866132092.db2.gz KJMURNGGKHNUGN-UHFFFAOYSA-N -1 3 352.416 0.448 10 0 FCAEHM COCCNc1nc(CC(=O)NCc2cc(=O)[n-]c(=S)[nH]2)cs1 ZINC001300198993 866214291 /nfs/dbraw/zinc/21/42/91/866214291.db2.gz JBCXCHSBYXUGNT-UHFFFAOYSA-N -1 3 355.445 0.845 10 0 FCAEHM CNC(=O)COc1cccc(CC(=O)NCc2cc(=O)[n-]c(=S)[nH]2)c1 ZINC001300197889 866215863 /nfs/dbraw/zinc/21/58/63/866215863.db2.gz JEOAFFHPJCXNSB-UHFFFAOYSA-N -1 3 362.411 0.455 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)c1 ZINC001300222705 866217229 /nfs/dbraw/zinc/21/72/29/866217229.db2.gz PRVYZQPIABRGEG-NSHDSACASA-N -1 3 353.400 0.280 10 0 FCAEHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1C[C@H](CO)[C@@H](CCO)C1 ZINC001351004452 866754486 /nfs/dbraw/zinc/75/44/86/866754486.db2.gz GKYMJVOOLJIOEL-VHSXEESVSA-N -1 3 352.337 0.869 10 0 FCAEHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1C[C@@H](CO)[C@H](CCO)C1 ZINC001351004454 866755108 /nfs/dbraw/zinc/75/51/08/866755108.db2.gz GKYMJVOOLJIOEL-ZJUUUORDSA-N -1 3 352.337 0.869 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NC1([C@H]2CCCO2)CCC1 ZINC001353420905 867420029 /nfs/dbraw/zinc/42/00/29/867420029.db2.gz RHDULFDLZSSKRQ-SNVBAGLBSA-N -1 3 372.219 0.929 10 0 FCAEHM CC(C)OCCCC(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@@H]1O ZINC001343508975 870461574 /nfs/dbraw/zinc/46/15/74/870461574.db2.gz YLJJWVBSQSJVKA-ZBFHGGJFSA-N -1 3 350.415 0.899 10 0 FCAEHM CC12CC(C1)CN2S(=O)(=O)CCCCS(=O)(=O)[N-]c1ccnnc1 ZINC001327577630 870954355 /nfs/dbraw/zinc/95/43/55/870954355.db2.gz BODUNKXLAUGBBD-UHFFFAOYSA-N -1 3 374.488 0.813 10 0 FCAEHM CC1(C(=O)[O-])CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC001327683715 871011845 /nfs/dbraw/zinc/01/18/45/871011845.db2.gz YYCGCNGCMFILDH-UONOGXRCSA-N -1 3 351.447 0.833 10 0 FCAEHM O=C(NCc1nc(C(F)(F)F)n[n-]1)NCc1ncc2c(n1)CCOC2 ZINC001328656141 871564679 /nfs/dbraw/zinc/56/46/79/871564679.db2.gz NJQLAMVEJOSDPX-UHFFFAOYSA-N -1 3 357.296 0.686 10 0 FCAEHM O=C([O-])CN1CCC(NS(=O)(=O)C2=Cc3ccccc3OC2)CC1 ZINC001329304556 871942295 /nfs/dbraw/zinc/94/22/95/871942295.db2.gz UAUXMDXJVQTAQV-UHFFFAOYSA-N -1 3 352.412 0.888 10 0 FCAEHM O=C(c1cc([O-])cc(Br)c1)N1CC2(C1)C[C@H](O)CNC2=O ZINC001347792978 872497037 /nfs/dbraw/zinc/49/70/37/872497037.db2.gz ISUIGEMOWAXBOO-NSHDSACASA-N -1 3 355.188 0.478 10 0 FCAEHM COC(=O)c1nscc1S(=O)(=O)[N-]CCc1ccc(OC)nc1 ZINC001331386231 873085953 /nfs/dbraw/zinc/08/59/53/873085953.db2.gz YAVMNXOTOSYXKT-UHFFFAOYSA-N -1 3 357.413 0.854 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]Cc2nnc(C3CC3)n2C)on1 ZINC001331556268 873144181 /nfs/dbraw/zinc/14/41/81/873144181.db2.gz TUNAYIKJVPBZPM-UHFFFAOYSA-N -1 3 369.403 0.477 10 0 FCAEHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)c1 ZINC001332493785 873529175 /nfs/dbraw/zinc/52/91/75/873529175.db2.gz LRFHWBIJYLKETK-MRXNPFEDSA-N -1 3 368.411 0.380 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000266023908 210267832 /nfs/dbraw/zinc/26/78/32/210267832.db2.gz QJBHFOLKPHFCFJ-LLVKDONJSA-N -1 3 350.762 0.113 10 0 FCAEHM CC(C)N(C(=O)Cn1cc(Br)c(=O)[n-]c1=O)[C@@H]1CCOC1 ZINC000291668564 214049671 /nfs/dbraw/zinc/04/96/71/214049671.db2.gz RAQNHTIGGFGOIG-SECBINFHSA-N -1 3 360.208 0.737 10 0 FCAEHM CCOCc1nc([C@@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]C)nc2)no1 ZINC000292000347 214070024 /nfs/dbraw/zinc/07/00/24/214070024.db2.gz VGRSICNPNPCJIA-SECBINFHSA-N -1 3 369.403 0.400 10 0 FCAEHM CC(C)N([C@H]1CCOC1)S(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000292078471 214074995 /nfs/dbraw/zinc/07/49/95/214074995.db2.gz JAZYOTBUIITASM-JTQLQIEISA-N -1 3 368.415 0.222 10 0 FCAEHM COc1ccc(CCNC(=O)C[C@@H]2NC(=O)[N-]C2=O)c(Cl)c1OC ZINC000293811868 214202860 /nfs/dbraw/zinc/20/28/60/214202860.db2.gz DVBQDZOKROIPFU-VIFPVBQESA-N -1 3 355.778 0.614 10 0 FCAEHM CCOC(=O)[C@@H]1CCCc2sc(NC(=O)C[C@@H]3NC(=O)[N-]C3=O)nc21 ZINC000294142480 214227456 /nfs/dbraw/zinc/22/74/56/214227456.db2.gz LQGZFUPQAHOWKO-SFYZADRCSA-N -1 3 366.399 0.663 10 0 FCAEHM CC[C@H]([N-]S(=O)(=O)c1ccc(S(C)(=O)=O)nc1)[C@H](O)C(F)F ZINC000295659079 214311187 /nfs/dbraw/zinc/31/11/87/214311187.db2.gz GDZHJFBLKCWPFX-WPRPVWTQSA-N -1 3 358.388 0.168 10 0 FCAEHM CCOc1ccncc1S(=O)(=O)[N-]C1(CC(=O)OC)CCOCC1 ZINC000296291729 214342143 /nfs/dbraw/zinc/34/21/43/214342143.db2.gz NGBPYTQJWQYJIT-UHFFFAOYSA-N -1 3 358.416 0.871 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)CC3(CS(C)(=O)=O)CC3)cc2n(C)c1=O ZINC000291435115 214034033 /nfs/dbraw/zinc/03/40/33/214034033.db2.gz BKQYZIDCTAVRHT-UHFFFAOYSA-N -1 3 367.427 0.736 10 0 FCAEHM O=C1[N-]C(=O)[C@]2(CCCN(c3cc(-c4ccccc4)nc4ncnn43)C2)N1 ZINC000302855167 214770621 /nfs/dbraw/zinc/77/06/21/214770621.db2.gz KXLGBDSBJRJTGL-GOSISDBHSA-N -1 3 363.381 0.970 10 0 FCAEHM C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)CN1CC(=O)[N-]C1=O ZINC000265660737 210190631 /nfs/dbraw/zinc/19/06/31/210190631.db2.gz OYNFMTSBBGSNTC-HNNXBMFYSA-N -1 3 374.441 0.288 10 0 FCAEHM Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)CN1CC(=O)[N-]C1=O ZINC000265658052 210189502 /nfs/dbraw/zinc/18/95/02/210189502.db2.gz OIGDSAUWRZWUMD-LBPRGKRZSA-N -1 3 362.411 0.387 10 0 FCAEHM CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1nc(CC(=O)OC)n[n-]1 ZINC000265422088 210131121 /nfs/dbraw/zinc/13/11/21/210131121.db2.gz FZPXGEXPSXMPHL-BDAKNGLRSA-N -1 3 355.420 0.406 10 0 FCAEHM CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1nnc(CC(=O)OC)[n-]1 ZINC000265422088 210131125 /nfs/dbraw/zinc/13/11/25/210131125.db2.gz FZPXGEXPSXMPHL-BDAKNGLRSA-N -1 3 355.420 0.406 10 0 FCAEHM CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1n[n-]c(CC(=O)OC)n1 ZINC000265422088 210131129 /nfs/dbraw/zinc/13/11/29/210131129.db2.gz FZPXGEXPSXMPHL-BDAKNGLRSA-N -1 3 355.420 0.406 10 0 FCAEHM COC(=O)C[C@@H](NC(=O)CN1CC(=O)[N-]C1=O)c1ccc(SC)cc1 ZINC000264948243 210022399 /nfs/dbraw/zinc/02/23/99/210022399.db2.gz SYLOLXUCIVYJQC-GFCCVEGCSA-N -1 3 365.411 0.681 10 0 FCAEHM CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CN1CC(=O)[N-]C1=O ZINC000264912450 210013925 /nfs/dbraw/zinc/01/39/25/210013925.db2.gz ZQELZXYYMUAERC-UHFFFAOYSA-N -1 3 354.313 0.304 10 0 FCAEHM COC(=O)CCSCc1cccc(NC(=O)CN2CC(=O)[N-]C2=O)c1 ZINC000264729252 209962223 /nfs/dbraw/zinc/96/22/23/209962223.db2.gz DXIYLGQSWMLCGZ-UHFFFAOYSA-N -1 3 365.411 0.973 10 0 FCAEHM CCNC(=O)C[C@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)[N-]C)nc1 ZINC000285774838 213392920 /nfs/dbraw/zinc/39/29/20/213392920.db2.gz SLDUDUIRDRIYOT-CYBMUJFWSA-N -1 3 368.459 0.511 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@@H]3CCN(C)C[C@@H]32)c(C)o1 ZINC000285676561 213376163 /nfs/dbraw/zinc/37/61/63/213376163.db2.gz HJVDMXBDYGSWHX-QWHCGFSZSA-N -1 3 357.432 0.041 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@H]3CCN(C)C[C@H]32)c(C)o1 ZINC000285676559 213375961 /nfs/dbraw/zinc/37/59/61/213375961.db2.gz HJVDMXBDYGSWHX-OLZOCXBDSA-N -1 3 357.432 0.041 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)NCCCN1CCOC1=O ZINC000264082775 209819120 /nfs/dbraw/zinc/81/91/20/209819120.db2.gz VFSNMERJHGTGCD-UHFFFAOYSA-N -1 3 372.381 0.629 10 0 FCAEHM Cc1cc(C(=O)NC2CCN(C(=O)CN3CC(=O)[N-]C3=O)CC2)c(C)o1 ZINC000360939287 215376017 /nfs/dbraw/zinc/37/60/17/215376017.db2.gz GISZGCRHABZPBO-UHFFFAOYSA-N -1 3 362.386 0.169 10 0 FCAEHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](CO)C[C@@H](O)C(C)(C)C)c1 ZINC000284628629 213183750 /nfs/dbraw/zinc/18/37/50/213183750.db2.gz KPEQKXNHMQNRRA-WDEREUQCSA-N -1 3 365.473 0.971 10 0 FCAEHM CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)CN2CC(=O)[N-]C2=O)CC1 ZINC000364010807 215621218 /nfs/dbraw/zinc/62/12/18/215621218.db2.gz ABLAWWWETKEPRX-NSHDSACASA-N -1 3 354.407 0.444 10 0 FCAEHM Cc1c(C(=O)N2CC[C@]3(C2)NC(=O)[N-]C3=O)cnn1Cc1ccccc1 ZINC000364280009 215657783 /nfs/dbraw/zinc/65/77/83/215657783.db2.gz IMCJAOLFLOIRQP-GOSISDBHSA-N -1 3 353.382 0.664 10 0 FCAEHM COC[C@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2c(C)noc2C)CC1 ZINC000412414188 237202885 /nfs/dbraw/zinc/20/28/85/237202885.db2.gz UWOCFNPZIODTJV-ZDUSSCGKSA-N -1 3 359.448 0.845 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCNC[C@H]2C(F)F)ccc1F ZINC000367286392 216102703 /nfs/dbraw/zinc/10/27/03/216102703.db2.gz KIXHMKSLLAROHF-JTQLQIEISA-N -1 3 351.350 0.413 10 0 FCAEHM COc1ccc(-n2cc(C[N-]S(=O)(=O)c3c(C)cnn3C)nn2)cc1 ZINC000367554987 216137512 /nfs/dbraw/zinc/13/75/12/216137512.db2.gz XQAOYMKQOJRTBM-UHFFFAOYSA-N -1 3 362.415 0.796 10 0 FCAEHM O=C(Cc1cnn(-c2ccccc2)c1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000195022016 209332272 /nfs/dbraw/zinc/33/22/72/209332272.db2.gz OFCBYYKUCKVJFO-SFHVURJKSA-N -1 3 353.382 0.615 10 0 FCAEHM Cn1cc(C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c(-c2ccccc2)n1 ZINC000195001910 209331203 /nfs/dbraw/zinc/33/12/03/209331203.db2.gz NAMHJUSEXBDBTK-SFHVURJKSA-N -1 3 353.382 0.901 10 0 FCAEHM CCS(=O)(=O)C[C@@H](C)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000369287900 216378855 /nfs/dbraw/zinc/37/88/55/216378855.db2.gz LSCSUIHWSXKIRM-TZMCWYRMSA-N -1 3 368.455 0.936 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000277549680 212373046 /nfs/dbraw/zinc/37/30/46/212373046.db2.gz MFQUCGCXNZVDRL-KSSFIOAISA-N -1 3 363.389 0.567 10 0 FCAEHM CC1(C[N-]S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)OCCCO1 ZINC000277043299 212321566 /nfs/dbraw/zinc/32/15/66/212321566.db2.gz YZXLPCQFGCWHHX-UHFFFAOYSA-N -1 3 367.420 0.661 10 0 FCAEHM Cc1cc(C)c(N2CC[C@H]([N-]S(=O)(=O)N3CCOCC3)C2=O)c(C)c1 ZINC000276701338 212278224 /nfs/dbraw/zinc/27/82/24/212278224.db2.gz NVCUYDGKZVJOSO-HNNXBMFYSA-N -1 3 367.471 0.884 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCN(c2cncc3ccccc32)CC1 ZINC000276636730 212269496 /nfs/dbraw/zinc/26/94/96/212269496.db2.gz QHGHOZMPUPLQTH-AWEZNQCLSA-N -1 3 353.382 0.482 10 0 FCAEHM COC(=O)NCCc1ccc(S(=O)(=O)[N-]CCc2cnn(C)c2)s1 ZINC000276513358 212246248 /nfs/dbraw/zinc/24/62/48/212246248.db2.gz RMUGRUBYMSVZJO-UHFFFAOYSA-N -1 3 372.472 0.901 10 0 FCAEHM COC(=O)CC[N-]S(=O)(=O)c1ccc(CCNC(=O)OC)s1 ZINC000276476265 212240208 /nfs/dbraw/zinc/24/02/08/212240208.db2.gz KSXVKVUNMPGUOP-UHFFFAOYSA-N -1 3 350.418 0.488 10 0 FCAEHM COC(=O)NCCc1ccc(S(=O)(=O)[N-]C(C)(C)CC(N)=O)s1 ZINC000276238025 212192606 /nfs/dbraw/zinc/19/26/06/212192606.db2.gz OWDGTGWUDAHYPW-UHFFFAOYSA-N -1 3 363.461 0.579 10 0 FCAEHM COC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H]2CCN(C)C2=O)s1 ZINC000276224325 212189610 /nfs/dbraw/zinc/18/96/10/212189610.db2.gz MLLCRZSNARKFBA-JTQLQIEISA-N -1 3 361.445 0.156 10 0 FCAEHM COC(=O)c1sc2[n-]c(CN3CCN(C)[C@H](CO)C3)nc(=O)c2c1C ZINC000931407998 674112956 /nfs/dbraw/zinc/11/29/56/674112956.db2.gz XQBVEWQKUOJLCU-JTQLQIEISA-N -1 3 366.443 0.188 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CC(F)(F)C[C@H]1CO ZINC000372505435 216891461 /nfs/dbraw/zinc/89/14/61/216891461.db2.gz MNGQLOUMCHHARH-ZETCQYMHSA-N -1 3 374.818 0.908 10 0 FCAEHM C[C@H](CO)[C@H](C)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000275716705 212079014 /nfs/dbraw/zinc/07/90/14/212079014.db2.gz HRIWBSHRTXBLAX-MNOVXSKESA-N -1 3 350.462 0.232 10 0 FCAEHM COCCN(C)CC[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000275717580 212078709 /nfs/dbraw/zinc/07/87/09/212078709.db2.gz VFLRJWOOADWYAN-UHFFFAOYSA-N -1 3 364.851 0.983 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cn1 ZINC000373495209 217025147 /nfs/dbraw/zinc/02/51/47/217025147.db2.gz WENWPBPVMLRNRI-AWEZNQCLSA-N -1 3 374.422 0.525 10 0 FCAEHM C[C@H](O)CN1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000373529014 217028683 /nfs/dbraw/zinc/02/86/83/217028683.db2.gz KQZZZSQARBJUKR-HOCLYGCPSA-N -1 3 361.442 0.522 10 0 FCAEHM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)CC1=O ZINC000374139274 217100608 /nfs/dbraw/zinc/10/06/08/217100608.db2.gz AMWFPIAEJHSNLH-PUYPPJJSSA-N -1 3 369.418 0.936 10 0 FCAEHM Cc1cn2c(n1)CN(C(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1)CC2 ZINC000374665024 217154594 /nfs/dbraw/zinc/15/45/94/217154594.db2.gz UECYIHNORHNEDH-LLVKDONJSA-N -1 3 354.457 0.962 10 0 FCAEHM COc1cccc([C@H]2[C@@H](NC(=O)CN3CC(=O)[N-]C3=O)CCN2C2CC2)c1 ZINC000374889612 217185828 /nfs/dbraw/zinc/18/58/28/217185828.db2.gz CLFYDNXBULFXKC-YJBOKZPZSA-N -1 3 372.425 0.641 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)Nc1cccc2c1OCC[C@@H]2O ZINC000375113172 217219249 /nfs/dbraw/zinc/21/92/49/217219249.db2.gz YWRDXBOFPRNCCR-ZDUSSCGKSA-N -1 3 358.416 0.397 10 0 FCAEHM C[C@H](C[S@@](C)=O)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000182776642 209137130 /nfs/dbraw/zinc/13/71/30/209137130.db2.gz JNPAWCMWUKSSKN-QONUSYMYSA-N -1 3 350.437 0.376 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CCO[C@@H](C3CC3)C2)s1 ZINC000375333725 217252023 /nfs/dbraw/zinc/25/20/23/217252023.db2.gz QJMDAEWRPTYLGS-GFCCVEGCSA-N -1 3 359.473 0.977 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CCO[C@H](C3CC3)C2)cn1C ZINC000375333944 217251615 /nfs/dbraw/zinc/25/16/15/217251615.db2.gz VOCLQGCODRTIDN-ZDUSSCGKSA-N -1 3 356.448 0.034 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCNC[C@H]2c2cnn(C)c2)c(C)o1 ZINC000181333644 209111071 /nfs/dbraw/zinc/11/10/71/209111071.db2.gz UOCZEKGYFBQZTJ-ZDUSSCGKSA-N -1 3 367.431 0.016 10 0 FCAEHM O=C(NC[C@H](CO)[C@H]1CCOC1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000375930366 217336423 /nfs/dbraw/zinc/33/64/23/217336423.db2.gz YSKQECUUGUFAOR-LZWOXQAQSA-N -1 3 362.426 0.758 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CCn3cc(C)nc3C2)s1 ZINC000376284957 217380564 /nfs/dbraw/zinc/38/05/64/217380564.db2.gz JUJMCGOAPBGHFN-UHFFFAOYSA-N -1 3 369.472 0.887 10 0 FCAEHM CC(C)C[C@H](CNC(=O)C(=O)NCCCN1CCCO[C@@H](C)C1)C(=O)[O-] ZINC000424503385 247242630 /nfs/dbraw/zinc/24/26/30/247242630.db2.gz PBNRPVYWGPHMBC-LSDHHAIUSA-N -1 3 371.478 0.467 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@H]2C[C@]2(F)c2ccccc2)cn1C ZINC000425009970 247285442 /nfs/dbraw/zinc/28/54/42/247285442.db2.gz QECZMVQEPLGSAE-BBRMVZONSA-N -1 3 366.418 0.760 10 0 FCAEHM CNC(=O)CN1CCC(NC(=O)c2cc(Cl)c([O-])c(OC)c2)CC1 ZINC000436537023 248044522 /nfs/dbraw/zinc/04/45/22/248044522.db2.gz RFMUXOZXZZNEOC-UHFFFAOYSA-N -1 3 355.822 0.994 10 0 FCAEHM COc1ccc(C(=O)NCC(=O)NCCNC(=O)c2ccc([O-])cc2)cc1 ZINC000436644811 248045690 /nfs/dbraw/zinc/04/56/90/248045690.db2.gz YHCWLGZVASYVDZ-UHFFFAOYSA-N -1 3 371.393 0.677 10 0 FCAEHM CN(C)CC(=O)N1CCN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)CC1 ZINC000436683154 248046580 /nfs/dbraw/zinc/04/65/80/248046580.db2.gz SSNBNTFUSBIDQC-UHFFFAOYSA-N -1 3 361.442 0.952 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](C)C2(S(C)(=O)=O)CC2)c([O-])c1 ZINC000436649590 248046848 /nfs/dbraw/zinc/04/68/48/248046848.db2.gz VPBBIVDIFNXKFC-LBPRGKRZSA-N -1 3 368.455 0.902 10 0 FCAEHM COC(=O)C1(NC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)CCC1 ZINC000437831946 248069211 /nfs/dbraw/zinc/06/92/11/248069211.db2.gz DRFTWJDYSOZOAW-JTQLQIEISA-N -1 3 358.391 0.704 10 0 FCAEHM Cc1ccc([C@H](NC(=O)C[C@@H]2NC(=O)[N-]C2=O)[C@@H](C)S(C)(=O)=O)cc1 ZINC000437854237 248070241 /nfs/dbraw/zinc/07/02/41/248070241.db2.gz UEMPZZHJQHVDCY-SCDSUCTJSA-N -1 3 367.427 0.184 10 0 FCAEHM COc1cccc(C(=O)NCCNS(=O)(=O)c2cccnc2)c1[O-] ZINC000436710887 248047906 /nfs/dbraw/zinc/04/79/06/248047906.db2.gz AQWZFEZDLOEHPT-UHFFFAOYSA-N -1 3 351.384 0.504 10 0 FCAEHM CCN1CCC[C@H](NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])C1 ZINC000436765243 248049944 /nfs/dbraw/zinc/04/99/44/248049944.db2.gz AIWKYZYDWAYDOI-LBPRGKRZSA-N -1 3 355.460 0.857 10 0 FCAEHM COc1ccc(C(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c([O-])c1 ZINC000436802846 248052084 /nfs/dbraw/zinc/05/20/84/248052084.db2.gz LAGUBTDJVRXKGR-LLVKDONJSA-N -1 3 357.432 0.401 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)N(C)C[C@H]2CCS(=O)(=O)C2)c([O-])c1 ZINC000436970107 248055119 /nfs/dbraw/zinc/05/51/19/248055119.db2.gz KRMSEHBEGDPBFK-CYBMUJFWSA-N -1 3 368.455 0.714 10 0 FCAEHM C/C=C/C[C@H]([N-]S(=O)(=O)N1CCC[C@@H]1C(=O)OCC)C(=O)OCC ZINC000440089127 248155496 /nfs/dbraw/zinc/15/54/96/248155496.db2.gz CPBANSDTJDEURC-KVOPJGFESA-N -1 3 362.448 0.746 10 0 FCAEHM O=C(N[C@@H]1CCCS(=O)(=O)C1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000439061401 248108581 /nfs/dbraw/zinc/10/85/81/248108581.db2.gz TVDZWOKFNVCETL-TZMCWYRMSA-N -1 3 366.439 0.690 10 0 FCAEHM O=C(N[C@@H]1CCCS(=O)(=O)C1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000439061400 248108878 /nfs/dbraw/zinc/10/88/78/248108878.db2.gz TVDZWOKFNVCETL-OCCSQVGLSA-N -1 3 366.439 0.690 10 0 FCAEHM C[C@@H](CO)N(C)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000442591226 248291696 /nfs/dbraw/zinc/29/16/96/248291696.db2.gz CHLIJVVCKVTTCV-VIFPVBQESA-N -1 3 367.830 0.780 10 0 FCAEHM CCS(=O)(=O)NCC[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442739565 248294458 /nfs/dbraw/zinc/29/44/58/248294458.db2.gz CLZUGJJTMBFKAH-UHFFFAOYSA-N -1 3 361.367 0.318 10 0 FCAEHM COCCN1CCC[C@@H]1C[N-]S(=O)(=O)c1ccsc1C(=O)OC ZINC000443073724 248306086 /nfs/dbraw/zinc/30/60/86/248306086.db2.gz WOFSGDIWFZSBDN-LLVKDONJSA-N -1 3 362.473 0.924 10 0 FCAEHM COC(=O)c1nscc1S(=O)(=O)[N-][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000443314247 248320916 /nfs/dbraw/zinc/32/09/16/248320916.db2.gz QOUAFYUAWKZOBR-HLTSFMKQSA-N -1 3 359.429 0.217 10 0 FCAEHM Cc1cccc(C(C)C)c1NC(=O)C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000442026538 248271314 /nfs/dbraw/zinc/27/13/14/248271314.db2.gz HBQXTKBMGDVJSE-CYBMUJFWSA-N -1 3 358.398 0.820 10 0 FCAEHM COCCN1CC[C@H]([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)C1 ZINC000444171209 248349844 /nfs/dbraw/zinc/34/98/44/248349844.db2.gz WHWQRZUSDNAGHE-LBPRGKRZSA-N -1 3 362.473 0.089 10 0 FCAEHM Cn1cc(C(N)=O)cc1C(=O)NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000446161871 248384256 /nfs/dbraw/zinc/38/42/56/248384256.db2.gz LRKHRQKPKDTIQE-SFHVURJKSA-N -1 3 369.381 0.109 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)N2CC[C@H]2C2CC2)ccc1F ZINC000453833606 249375885 /nfs/dbraw/zinc/37/58/85/249375885.db2.gz KPSCDTMAHBPRGV-LBPRGKRZSA-N -1 3 355.391 0.683 10 0 FCAEHM CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000271392193 211392241 /nfs/dbraw/zinc/39/22/41/211392241.db2.gz GGGVWSCLYWHYPK-MGPLVRAMSA-N -1 3 356.423 0.640 10 0 FCAEHM COc1nnc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)[n-]1 ZINC000271366002 211389614 /nfs/dbraw/zinc/38/96/14/211389614.db2.gz OKBVEQVVVROKEP-LLVKDONJSA-N -1 3 365.415 0.853 10 0 FCAEHM COc1nc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)n[n-]1 ZINC000271366002 211389618 /nfs/dbraw/zinc/38/96/18/211389618.db2.gz OKBVEQVVVROKEP-LLVKDONJSA-N -1 3 365.415 0.853 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)n1 ZINC000271366002 211389622 /nfs/dbraw/zinc/38/96/22/211389622.db2.gz OKBVEQVVVROKEP-LLVKDONJSA-N -1 3 365.415 0.853 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N(C)CCc1cnccn1 ZINC000271310364 211376036 /nfs/dbraw/zinc/37/60/36/211376036.db2.gz IMMRPWJQEGMPLZ-LBPRGKRZSA-N -1 3 366.418 0.984 10 0 FCAEHM COc1nnc(NC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)[n-]1 ZINC000271285404 211372591 /nfs/dbraw/zinc/37/25/91/211372591.db2.gz OVRRGGHDCMXHGV-UHFFFAOYSA-N -1 3 366.403 0.248 10 0 FCAEHM COc1nc(NC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)n[n-]1 ZINC000271285404 211372593 /nfs/dbraw/zinc/37/25/93/211372593.db2.gz OVRRGGHDCMXHGV-UHFFFAOYSA-N -1 3 366.403 0.248 10 0 FCAEHM COc1n[n-]c(NC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)n1 ZINC000271285404 211372597 /nfs/dbraw/zinc/37/25/97/211372597.db2.gz OVRRGGHDCMXHGV-UHFFFAOYSA-N -1 3 366.403 0.248 10 0 FCAEHM COc1nnc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)[n-]1 ZINC000271275671 211370238 /nfs/dbraw/zinc/37/02/38/211370238.db2.gz MYQWLWRPBZXFSO-ZETCQYMHSA-N -1 3 359.795 0.772 10 0 FCAEHM COc1nc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)n[n-]1 ZINC000271275671 211370241 /nfs/dbraw/zinc/37/02/41/211370241.db2.gz MYQWLWRPBZXFSO-ZETCQYMHSA-N -1 3 359.795 0.772 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000271275671 211370243 /nfs/dbraw/zinc/37/02/43/211370243.db2.gz MYQWLWRPBZXFSO-ZETCQYMHSA-N -1 3 359.795 0.772 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@H](CO)c1cccc(Br)c1 ZINC000271269894 211367903 /nfs/dbraw/zinc/36/79/03/211367903.db2.gz DCLPBCWYNOXGAJ-SNVBAGLBSA-N -1 3 356.176 0.151 10 0 FCAEHM CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H](C)C(N)=O)s1 ZINC000271241317 211362465 /nfs/dbraw/zinc/36/24/65/211362465.db2.gz YUPUUFYTLFOXPE-JTQLQIEISA-N -1 3 361.489 0.605 10 0 FCAEHM CC(C)[C@@H](O)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000271121898 211340857 /nfs/dbraw/zinc/34/08/57/211340857.db2.gz PSOQIBDENVFYNG-JTQLQIEISA-N -1 3 350.824 0.499 10 0 FCAEHM COCCN1CCN(C(=O)c2c[n-]c3cc(OC)ccc3c2=O)CC1=O ZINC000271139044 211344793 /nfs/dbraw/zinc/34/47/93/211344793.db2.gz UHYYRPCHZGRYEV-UHFFFAOYSA-N -1 3 359.382 0.880 10 0 FCAEHM CN1C(=O)C[C@H](NC(=O)C[C@@H]2NC(=O)[N-]C2=O)[C@H]1c1ccc(Cl)cc1 ZINC000271087941 211331969 /nfs/dbraw/zinc/33/19/69/211331969.db2.gz DVEXHOJSCHMIFU-COPLHBTASA-N -1 3 364.789 0.326 10 0 FCAEHM CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1nnc(SCCO)[n-]1 ZINC000270933174 211302072 /nfs/dbraw/zinc/30/20/72/211302072.db2.gz YMPUPQDTNFJZIJ-RKDXNWHRSA-N -1 3 359.477 0.775 10 0 FCAEHM CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1nc(SCCO)n[n-]1 ZINC000270933174 211302074 /nfs/dbraw/zinc/30/20/74/211302074.db2.gz YMPUPQDTNFJZIJ-RKDXNWHRSA-N -1 3 359.477 0.775 10 0 FCAEHM CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1n[n-]c(SCCO)n1 ZINC000270933174 211302089 /nfs/dbraw/zinc/30/20/89/211302089.db2.gz YMPUPQDTNFJZIJ-RKDXNWHRSA-N -1 3 359.477 0.775 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCc1cccc(COCC(F)(F)F)c1 ZINC000270968615 211308581 /nfs/dbraw/zinc/30/85/81/211308581.db2.gz HQTIATVMLPUMSM-NSHDSACASA-N -1 3 359.304 0.980 10 0 FCAEHM CC[C@@H]1Oc2cc([C@H](C)NC(=O)C[C@@H]3NC(=O)[N-]C3=O)ccc2NC1=O ZINC000270813857 211274713 /nfs/dbraw/zinc/27/47/13/211274713.db2.gz OYHDDAGFQZHVMI-UWJYBYFXSA-N -1 3 360.370 0.571 10 0 FCAEHM COc1ccc(CCNC(=O)C[C@@H]2NC(=O)[N-]C2=O)cc1OC(F)F ZINC000270659105 211242938 /nfs/dbraw/zinc/24/29/38/211242938.db2.gz CCCWFELWLOUPPH-VIFPVBQESA-N -1 3 357.313 0.553 10 0 FCAEHM C[C@H]1CN(c2ccc(NC(=O)C[C@@H]3NC(=O)[N-]C3=O)cc2F)C[C@H](C)O1 ZINC000270600155 211232237 /nfs/dbraw/zinc/23/22/37/211232237.db2.gz OCVGEFKKJCYTPT-KWBADKCTSA-N -1 3 364.377 0.976 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1C[C@H](C)O[C@H](CO)C1 ZINC000470390668 250042162 /nfs/dbraw/zinc/04/21/62/250042162.db2.gz YJNOJXJUBUASMR-SRVKXCTJSA-N -1 3 360.407 0.101 10 0 FCAEHM COCCCS(=O)(=O)[N-]CC(=O)Nc1cncc(Br)c1 ZINC000270254850 211175504 /nfs/dbraw/zinc/17/55/04/211175504.db2.gz PUBGGLCEFJSXTD-UHFFFAOYSA-N -1 3 366.237 0.739 10 0 FCAEHM O=C(NCCNS(=O)(=O)c1ccccc1)NCc1ncccc1[O-] ZINC000471598104 250109695 /nfs/dbraw/zinc/10/96/95/250109695.db2.gz UCUKQNTZSZGUNH-UHFFFAOYSA-N -1 3 350.400 0.565 10 0 FCAEHM O=C(NCc1ncccc1[O-])NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000472040144 250128551 /nfs/dbraw/zinc/12/85/51/250128551.db2.gz ZOPVQSDBNNJHPP-UHFFFAOYSA-N -1 3 354.432 0.543 10 0 FCAEHM Cc1cc(S(N)(=O)=O)ccc1CNC(=O)NCc1ncccc1[O-] ZINC000472221839 250139126 /nfs/dbraw/zinc/13/91/26/250139126.db2.gz LLUAKXZOADDXNE-UHFFFAOYSA-N -1 3 350.400 0.742 10 0 FCAEHM Cn1c2ccc(NC(=O)C(=O)NCc3ncccc3[O-])cc2n(C)c1=O ZINC000473062476 250197212 /nfs/dbraw/zinc/19/72/12/250197212.db2.gz FQXMEGQNDYABNX-UHFFFAOYSA-N -1 3 355.354 0.233 10 0 FCAEHM CC(=O)N1CCc2cc(NC(=O)C(=O)NCc3ncccc3[O-])ccc21 ZINC000473050144 250197824 /nfs/dbraw/zinc/19/78/24/250197824.db2.gz NDDNDOXSWZHYGK-UHFFFAOYSA-N -1 3 354.366 0.951 10 0 FCAEHM CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NCc1ncccc1[O-] ZINC000473646959 250244421 /nfs/dbraw/zinc/24/44/21/250244421.db2.gz YFXGLSBMNQULHX-UHFFFAOYSA-N -1 3 374.422 0.998 10 0 FCAEHM CNS(=O)(=O)c1ccc(S(=O)(=O)NCc2ncccc2[O-])cc1 ZINC000480759787 250281389 /nfs/dbraw/zinc/28/13/89/250281389.db2.gz VKCWLQOJBPCQIP-UHFFFAOYSA-N -1 3 357.413 0.174 10 0 FCAEHM CCNC(=O)C1CN(C(=O)Nc2ccc(C[C@H]3NC(=O)[N-]C3=O)cc2)C1 ZINC000480928900 250296047 /nfs/dbraw/zinc/29/60/47/250296047.db2.gz PMKDXFQMALFCGA-CYBMUJFWSA-N -1 3 359.386 0.037 10 0 FCAEHM C[C@H](CC[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)[S@@](C)=O ZINC000481076355 250312351 /nfs/dbraw/zinc/31/23/51/250312351.db2.gz SPMMVVUUVGWEFX-GSDQLPOLSA-N -1 3 371.477 0.665 10 0 FCAEHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@]1(C(=O)OC)CCOC1 ZINC000269776069 211074966 /nfs/dbraw/zinc/07/49/66/211074966.db2.gz HGKBWJQDUQHJGP-AWEZNQCLSA-N -1 3 361.347 0.223 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1ccc(N2CCOCC2)c2ccncc12 ZINC000482039079 250374678 /nfs/dbraw/zinc/37/46/78/250374678.db2.gz LQGBVOUBKSVZHU-AWEZNQCLSA-N -1 3 369.381 0.608 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCC[C@H](OCCO)C1 ZINC000269533609 211002029 /nfs/dbraw/zinc/00/20/29/211002029.db2.gz SUXMFNQEBAETEW-STQMWFEESA-N -1 3 374.434 0.492 10 0 FCAEHM CC(C)C(=O)N1CCN(C(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)CC1 ZINC000056140170 208005078 /nfs/dbraw/zinc/00/50/78/208005078.db2.gz ZPQFABBQJCGIFR-GFCCVEGCSA-N -1 3 373.500 0.742 10 0 FCAEHM O=C(Cn1[n-]c(=O)c2ccccc2c1=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000032987863 208063595 /nfs/dbraw/zinc/06/35/95/208063595.db2.gz TYHPLPXYUBSRCZ-AWEZNQCLSA-N -1 3 372.425 0.425 10 0 FCAEHM CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000088199679 208115404 /nfs/dbraw/zinc/11/54/04/208115404.db2.gz CMOAVLUAGRNARE-LLVKDONJSA-N -1 3 367.431 0.915 10 0 FCAEHM COc1ccc(C(=O)[N-]C(=O)CN2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000106175244 208217909 /nfs/dbraw/zinc/21/79/09/208217909.db2.gz TZMFWPPTTAOJFN-AWEZNQCLSA-N -1 3 357.414 0.955 10 0 FCAEHM Cc1nccn1-c1ccc([C@H](C)NC(=O)c2[nH]c(=O)[n-]c(=O)c2N)cc1 ZINC000119317162 208359231 /nfs/dbraw/zinc/35/92/31/208359231.db2.gz FWVLKSXGTAHROR-VIFPVBQESA-N -1 3 354.370 0.631 10 0 FCAEHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCN(CC(F)F)CC1 ZINC000266565634 210358304 /nfs/dbraw/zinc/35/83/04/210358304.db2.gz QEXNLUYLTNCBFW-UHFFFAOYSA-N -1 3 361.370 0.883 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCC1(O)CCOCC1 ZINC000266551058 210355078 /nfs/dbraw/zinc/35/50/78/210355078.db2.gz LBSVFPSKHLSXFD-NSHDSACASA-N -1 3 360.407 0.150 10 0 FCAEHM CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccccc1F ZINC000409813014 533404361 /nfs/dbraw/zinc/40/43/61/533404361.db2.gz RMBWJOLXEQSQOF-JQWIXIFHSA-N -1 3 350.437 0.822 10 0 FCAEHM C[C@]1(c2cccc(C(=O)NCC[C@@H](O)C(F)(F)F)c2)NC(=O)[N-]C1=O ZINC000410053829 230055549 /nfs/dbraw/zinc/05/55/49/230055549.db2.gz VZFWTBCOQWFBAO-QMTHXVAHSA-N -1 3 359.304 0.784 10 0 FCAEHM CCS(=O)(=O)CCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000363633574 488866384 /nfs/dbraw/zinc/86/63/84/488866384.db2.gz GAFMOHMAHWRTIM-CYBMUJFWSA-N -1 3 354.428 0.548 10 0 FCAEHM O=C1[N-]C(=O)[C@]2(CCCN(S(=O)(=O)c3ccc(C(F)F)cc3)C2)N1 ZINC000287451904 488870682 /nfs/dbraw/zinc/87/06/82/488870682.db2.gz RCJFVFPMDJKGAJ-CQSZACIVSA-N -1 3 359.354 0.987 10 0 FCAEHM CNC(=O)c1ccc(NCc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)nn1 ZINC000470869195 484191250 /nfs/dbraw/zinc/19/12/50/484191250.db2.gz YOVWGKOXVUGDJI-KRWDZBQOSA-N -1 3 354.370 0.503 10 0 FCAEHM CC(C)OCCS(=O)(=O)[N-]CC(=O)Nc1ccn(C2CCOCC2)n1 ZINC000618906092 484209723 /nfs/dbraw/zinc/20/97/23/484209723.db2.gz ZONIOXRXCBYMNR-UHFFFAOYSA-N -1 3 374.463 0.518 10 0 FCAEHM Cn1cc(N2C[C@@H](C(=O)Nc3cc(-c4nccn4C)[n-]n3)CC2=O)cn1 ZINC000629974758 484487217 /nfs/dbraw/zinc/48/72/17/484487217.db2.gz MJHJPMQGVQFUOT-JTQLQIEISA-N -1 3 354.374 0.535 10 0 FCAEHM Cn1cc(N2C[C@@H](C(=O)Nc3cc(-c4nccn4C)n[n-]3)CC2=O)cn1 ZINC000629974758 484487223 /nfs/dbraw/zinc/48/72/23/484487223.db2.gz MJHJPMQGVQFUOT-JTQLQIEISA-N -1 3 354.374 0.535 10 0 FCAEHM COCCN1CCCN(C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)CC1 ZINC000363934465 488902336 /nfs/dbraw/zinc/90/23/36/488902336.db2.gz XPVCZOVDYRRGQM-LBPRGKRZSA-N -1 3 353.385 0.870 10 0 FCAEHM COC(=O)[C@H](O)C(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000278878928 488902709 /nfs/dbraw/zinc/90/27/09/488902709.db2.gz VZQKDLNJUDCKHK-NSHDSACASA-N -1 3 351.808 0.939 10 0 FCAEHM COc1ccccc1CNC(=O)[C@@H](C)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279047501 488913729 /nfs/dbraw/zinc/91/37/29/488913729.db2.gz JZWBGCGUAOSJFR-XIKOKIGWSA-N -1 3 360.414 0.374 10 0 FCAEHM CN(C(=O)CN1CCC[C@]2(C1)NC(=O)[N-]C2=O)c1nc2ccccc2s1 ZINC000279045791 488912429 /nfs/dbraw/zinc/91/24/29/488912429.db2.gz JTJSMRYFSIMNHZ-QGZVFWFLSA-N -1 3 373.438 0.933 10 0 FCAEHM COc1cccc2[nH]cc(CC(=O)N3CCC[C@@]4(C3)NC(=O)[N-]C4=O)c21 ZINC000364189753 488932928 /nfs/dbraw/zinc/93/29/28/488932928.db2.gz NTZJZYNSZKQYHB-SFHVURJKSA-N -1 3 356.382 0.920 10 0 FCAEHM COc1ccc(-c2n[nH]cc2C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000279359386 488935644 /nfs/dbraw/zinc/93/56/44/488935644.db2.gz CYBZUTBYLKRNDG-GOSISDBHSA-N -1 3 369.381 0.900 10 0 FCAEHM Cc1cc(CS(=O)(=O)[N-][C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)no1 ZINC000328895720 488947561 /nfs/dbraw/zinc/94/75/61/488947561.db2.gz BNTHKCYUWHKUHL-BXUZGUMPSA-N -1 3 353.404 0.108 10 0 FCAEHM COc1ccc2c(c1)C[C@H](C(=O)N1CCC[C@@]3(C1)NC(=O)[N-]C3=O)CO2 ZINC000279531755 488950512 /nfs/dbraw/zinc/95/05/12/488950512.db2.gz QFRMDBDWQFFXKO-SGTLLEGYSA-N -1 3 359.382 0.447 10 0 FCAEHM CCOC(=O)N1CCC[C@H](C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)C1 ZINC000279581039 488953735 /nfs/dbraw/zinc/95/37/35/488953735.db2.gz UIYHGVBGQZAAHZ-MEDUHNTESA-N -1 3 352.391 0.056 10 0 FCAEHM CCOC(=O)N1CCC[C@@H](C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)C1 ZINC000279581037 488953795 /nfs/dbraw/zinc/95/37/95/488953795.db2.gz UIYHGVBGQZAAHZ-BDJLRTHQSA-N -1 3 352.391 0.056 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CCCN2CCCC2=O)s1 ZINC000021871013 487618128 /nfs/dbraw/zinc/61/81/28/487618128.db2.gz PITNGWGXDKNKED-UHFFFAOYSA-N -1 3 359.473 0.675 10 0 FCAEHM Cn1nccc1[C@H]1[C@H]([N-]S(=O)(=O)c2cncc(F)c2)CC(=O)N1C ZINC000329010189 488960271 /nfs/dbraw/zinc/96/02/71/488960271.db2.gz ZLMJVVBUBHSQJD-BXUZGUMPSA-N -1 3 353.379 0.205 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCO[C@H](C2CC2)C1 ZINC000364504251 488966830 /nfs/dbraw/zinc/96/68/30/488966830.db2.gz MBLXSOKTHAVFAQ-JTQLQIEISA-N -1 3 358.192 0.349 10 0 FCAEHM C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1nc2c(cnn2C)c(=O)[n-]1 ZINC000052826844 488183363 /nfs/dbraw/zinc/18/33/63/488183363.db2.gz YZGLYMCVADZGKT-SECBINFHSA-N -1 3 374.426 0.255 10 0 FCAEHM CC(C)(C)OC(=O)N1CC=C(CCNC(=O)CN2CC(=O)[N-]C2=O)CC1 ZINC000279838512 488971548 /nfs/dbraw/zinc/97/15/48/488971548.db2.gz BNCKXPULNJFMDV-UHFFFAOYSA-N -1 3 366.418 0.612 10 0 FCAEHM CCCC(=O)NCC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-] ZINC000056972805 488262478 /nfs/dbraw/zinc/26/24/78/488262478.db2.gz CHRAKQPMCCEWCN-UHFFFAOYSA-N -1 3 355.416 0.787 10 0 FCAEHM Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)C[C@@H]3NC(=O)[N-]C3=O)C2)nc1 ZINC000057201404 488267868 /nfs/dbraw/zinc/26/78/68/488267868.db2.gz BGRNBSLVHHPTIY-RYUDHWBXSA-N -1 3 359.386 0.165 10 0 FCAEHM Cc1cccc([C@@H](CNC(=O)C[C@@H]2NC(=O)[N-]C2=O)N2CCOCC2)c1 ZINC000057256319 488269217 /nfs/dbraw/zinc/26/92/17/488269217.db2.gz HOEYHFMCZVMYTD-LSDHHAIUSA-N -1 3 360.414 0.083 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000067812365 488356223 /nfs/dbraw/zinc/35/62/23/488356223.db2.gz OARUQRYPZCTOOX-PWSUYJOCSA-N -1 3 364.199 0.971 10 0 FCAEHM CN1C[C@@H]2CN(S(=O)(=O)c3sc4c(c3C(=O)[O-])CCNC4)C[C@@H]2C1 ZINC000067817788 488356511 /nfs/dbraw/zinc/35/65/11/488356511.db2.gz AGYTUXOYJKMJQT-AOOOYVTPSA-N -1 3 371.484 0.274 10 0 FCAEHM Cc1csc([C@H](C)NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)n1 ZINC000067939068 488358338 /nfs/dbraw/zinc/35/83/38/488358338.db2.gz ZGMKMCURRSYLQJ-ZETCQYMHSA-N -1 3 373.232 0.941 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1C[C@@H](C(N)=O)CC[C@H]1C ZINC000068098853 488360324 /nfs/dbraw/zinc/36/03/24/488360324.db2.gz FCMZKTRMEFJGTG-WOPDTQHZSA-N -1 3 371.434 0.605 10 0 FCAEHM CCS(=O)(=O)CC[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000069129626 488371160 /nfs/dbraw/zinc/37/11/60/488371160.db2.gz HOPNCOQVDHVUIN-UHFFFAOYSA-N -1 3 369.848 0.840 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCO[C@H](c3cccs3)C2)c1 ZINC000268420053 488417237 /nfs/dbraw/zinc/41/72/37/488417237.db2.gz CLTGWCVAXLIIFJ-NSHDSACASA-N -1 3 370.456 0.360 10 0 FCAEHM O=C(Cc1ccccc1)NCC(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC000195296529 488437295 /nfs/dbraw/zinc/43/72/95/488437295.db2.gz JRUBVFODFZAGJE-UHFFFAOYSA-N -1 3 352.350 0.514 10 0 FCAEHM O=C(Cc1ccccc1)NCC(=O)Nc1cccc2c(=O)[n-][nH]c(=O)c12 ZINC000195296529 488437296 /nfs/dbraw/zinc/43/72/96/488437296.db2.gz JRUBVFODFZAGJE-UHFFFAOYSA-N -1 3 352.350 0.514 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N=c1[nH]c2ccc(Br)cc2[nH]1 ZINC000081376018 488441616 /nfs/dbraw/zinc/44/16/16/488441616.db2.gz HMTMUNRTXQZGTI-UHFFFAOYSA-N -1 3 352.148 0.238 10 0 FCAEHM O=C(CN1CCC[C@@]2(C1)NC(=O)[N-]C2=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000248676065 488500048 /nfs/dbraw/zinc/50/00/48/488500048.db2.gz JPGSLWMIFFRGEN-HZMBPMFUSA-N -1 3 362.352 0.461 10 0 FCAEHM COCCN1CCC[C@H]1CNC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000104896836 488506637 /nfs/dbraw/zinc/50/66/37/488506637.db2.gz JSOWWLCNGSGECF-AWEZNQCLSA-N -1 3 361.446 0.409 10 0 FCAEHM C[C@H]1CCCN(S(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)[C@H]1C ZINC000253544984 488521814 /nfs/dbraw/zinc/52/18/14/488521814.db2.gz NOGKVJRGGFPZEN-UWVGGRQHSA-N -1 3 352.416 0.843 10 0 FCAEHM Cc1cc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c2c(=O)[nH]n(C)c2n1 ZINC000120703491 488562935 /nfs/dbraw/zinc/56/29/35/488562935.db2.gz DSQSZGLPLCMYTC-UHFFFAOYSA-N -1 3 364.369 0.926 10 0 FCAEHM Cc1cc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c2c(=O)[nH]n(C)c2n1 ZINC000120703491 488562937 /nfs/dbraw/zinc/56/29/37/488562937.db2.gz DSQSZGLPLCMYTC-UHFFFAOYSA-N -1 3 364.369 0.926 10 0 FCAEHM CN1CC[C@H](NC(=O)c2[nH]c(=O)[n-]c(=O)c2N)[C@@H]1c1ccc(Cl)cc1 ZINC000121338669 488566781 /nfs/dbraw/zinc/56/67/81/488566781.db2.gz FCVYWOHDYCDNHG-GWCFXTLKSA-N -1 3 363.805 0.474 10 0 FCAEHM CC[C@H](C)C[C@H]([N-]S(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1)C(=O)OC ZINC000569966344 491206961 /nfs/dbraw/zinc/20/69/61/491206961.db2.gz TVPGLFODHLFLMI-XQQFMLRXSA-N -1 3 369.505 0.708 10 0 FCAEHM Cn1cc(N2CCC[C@H]([N-]S(=O)(=O)c3cn(C)c(Cl)n3)C2)cn1 ZINC000124299156 488590989 /nfs/dbraw/zinc/59/09/89/488590989.db2.gz HETFTYCHLLDKBZ-JTQLQIEISA-N -1 3 358.855 0.754 10 0 FCAEHM Cc1ncc(S(=O)(=O)[N-]C[C@H]2CS(=O)(=O)c3ccccc3O2)s1 ZINC000563056980 491210930 /nfs/dbraw/zinc/21/09/30/491210930.db2.gz BIRIQRGDURNWAG-JTQLQIEISA-N -1 3 374.465 0.965 10 0 FCAEHM Cc1ccc(N2CC[C@@H](N3CCO[C@@H](CN(C)CC(=O)[O-])C3)C2=O)cc1 ZINC000262873304 488597382 /nfs/dbraw/zinc/59/73/82/488597382.db2.gz MOMJNEPGSHZPJQ-DLBZAZTESA-N -1 3 361.442 0.818 10 0 FCAEHM Cc1nc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@H]2O)[n-]c1Cc1ccccc1 ZINC000273308789 488643100 /nfs/dbraw/zinc/64/31/00/488643100.db2.gz BMTDGTSTXFGSIG-ZIAGYGMSSA-N -1 3 370.452 0.241 10 0 FCAEHM Cc1[n-]c(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@H]2O)nc1Cc1ccccc1 ZINC000273308789 488643102 /nfs/dbraw/zinc/64/31/02/488643102.db2.gz BMTDGTSTXFGSIG-ZIAGYGMSSA-N -1 3 370.452 0.241 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000140541083 488686694 /nfs/dbraw/zinc/68/66/94/488686694.db2.gz JANRUEUJMVPSFH-LBPRGKRZSA-N -1 3 362.411 0.412 10 0 FCAEHM CN(C)C(=O)N1CCC(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000264606748 488689522 /nfs/dbraw/zinc/68/95/22/488689522.db2.gz HOTIEMYIGIBCBF-UHFFFAOYSA-N -1 3 357.418 0.877 10 0 FCAEHM CN(C)C(=O)N1CCC(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000264606748 488689523 /nfs/dbraw/zinc/68/95/23/488689523.db2.gz HOTIEMYIGIBCBF-UHFFFAOYSA-N -1 3 357.418 0.877 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NCCc1ccc(F)c(Br)c1 ZINC000264719447 488702644 /nfs/dbraw/zinc/70/26/44/488702644.db2.gz PHISAMJKEPNAHB-UHFFFAOYSA-N -1 3 358.167 0.799 10 0 FCAEHM Cc1nc(C)c(CNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)o1 ZINC000570122119 491217877 /nfs/dbraw/zinc/21/78/77/491217877.db2.gz XJSYKHYFMVHGJH-UHFFFAOYSA-N -1 3 357.164 0.633 10 0 FCAEHM Cc1cccc([C@@H](CNC(=O)CN2CC(=O)[N-]C2=O)N2CCOCC2)c1 ZINC000264755758 488707698 /nfs/dbraw/zinc/70/76/98/488707698.db2.gz TUMYDSXTNCKLOE-OAHLLOKOSA-N -1 3 360.414 0.036 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000274442395 488708702 /nfs/dbraw/zinc/70/87/02/488708702.db2.gz LPQCIZITOPBGTN-LRDDRELGSA-N -1 3 372.418 0.510 10 0 FCAEHM COc1ccc(CCNC(=O)CN2CC(=O)[N-]C2=O)cc1OC(F)F ZINC000264825637 488716336 /nfs/dbraw/zinc/71/63/36/488716336.db2.gz IEROZDLVYRZNQW-UHFFFAOYSA-N -1 3 357.313 0.507 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)Nc1nc2c(cccc2OC)n1C ZINC000274613343 488723478 /nfs/dbraw/zinc/72/34/78/488723478.db2.gz OCHLNOYQAPMELE-UHFFFAOYSA-N -1 3 370.431 0.476 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H](O)c2ccccc2OC)cn1 ZINC000274684188 488727202 /nfs/dbraw/zinc/72/72/02/488727202.db2.gz SFOVNLHQRYOBLV-CYBMUJFWSA-N -1 3 365.411 0.462 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCN(C2CC2)CC1 ZINC000154024023 488737306 /nfs/dbraw/zinc/73/73/06/488737306.db2.gz WVMZJRWWAISSPW-UHFFFAOYSA-N -1 3 363.892 0.986 10 0 FCAEHM CC(C)OCCS(=O)(=O)[N-]CC(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000267019417 488753686 /nfs/dbraw/zinc/75/36/86/488753686.db2.gz CACQXYCSQKVBLO-UHFFFAOYSA-N -1 3 371.415 0.300 10 0 FCAEHM C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cn(C)c(=O)[n-]c1=O ZINC000275116671 488763305 /nfs/dbraw/zinc/76/33/05/488763305.db2.gz OJHHLNUFLNMBJJ-ZYHUDNBSSA-N -1 3 366.418 0.861 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000156805479 488767524 /nfs/dbraw/zinc/76/75/24/488767524.db2.gz NCUBTZFHBHNOLO-NSHDSACASA-N -1 3 372.390 0.942 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000159318478 488784686 /nfs/dbraw/zinc/78/46/86/488784686.db2.gz HZMCELQUINFJRS-BETUJISGSA-N -1 3 355.435 0.847 10 0 FCAEHM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-][C@@H]2CNCCC2(F)F)c1 ZINC000563129955 491218901 /nfs/dbraw/zinc/21/89/01/491218901.db2.gz KTQBCLPVZYZUMY-GFCCVEGCSA-N -1 3 368.427 0.756 10 0 FCAEHM COC(=O)CN(C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F)C1CC1 ZINC000267674971 488811173 /nfs/dbraw/zinc/81/11/73/488811173.db2.gz CXUHSOQVYICDCR-JTQLQIEISA-N -1 3 358.391 0.657 10 0 FCAEHM COc1cc2[nH]c(CCCNC(=O)CN3CC(=O)[N-]C3=O)cc2c(OC)c1 ZINC000267928844 488829736 /nfs/dbraw/zinc/82/97/36/488829736.db2.gz FGYICKOJWKQLMD-UHFFFAOYSA-N -1 3 374.397 0.786 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172761858 488837965 /nfs/dbraw/zinc/83/79/65/488837965.db2.gz HZIOASDJUVAGFI-AWEZNQCLSA-N -1 3 372.425 0.013 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000173003490 488839838 /nfs/dbraw/zinc/83/98/38/488839838.db2.gz OTEGSQPEZMELSV-LDYMZIIASA-N -1 3 372.390 0.941 10 0 FCAEHM C[C@H](Cc1ccc(Br)cc1)NC(=O)c1[nH]c(=O)[n-]c(=O)c1N ZINC000173977172 488846759 /nfs/dbraw/zinc/84/67/59/488846759.db2.gz IJSQAKPUZMLLPG-SSDOTTSWSA-N -1 3 367.203 0.769 10 0 FCAEHM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000174314980 488848781 /nfs/dbraw/zinc/84/87/81/488848781.db2.gz UDRPFFYWPPEXJO-NWDGAFQWSA-N -1 3 361.446 0.095 10 0 FCAEHM COC(=O)NCCc1ccc(S(=O)(=O)[N-]Cc2cnnn2C)s1 ZINC000288721681 489008237 /nfs/dbraw/zinc/00/82/37/489008237.db2.gz YUHXIKJZBQXZFF-UHFFFAOYSA-N -1 3 359.433 0.254 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-][C@@H]2CS(=O)(=O)c3ccccc32)C[C@@H](C)O1 ZINC000329754828 489033031 /nfs/dbraw/zinc/03/30/31/489033031.db2.gz LBZIHHZNNJWBHO-NQBHXWOUSA-N -1 3 360.457 0.459 10 0 FCAEHM CC(C)(C)OC(=O)N1CCN(c2noc(CN3CC(=O)[N-]C3=O)n2)CC1 ZINC000289092340 489041572 /nfs/dbraw/zinc/04/15/72/489041572.db2.gz KHKIXFSXOYDIOI-UHFFFAOYSA-N -1 3 366.378 0.179 10 0 FCAEHM CC(=O)c1cccc(OC[C@H](O)CN2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000289159297 489045777 /nfs/dbraw/zinc/04/57/77/489045777.db2.gz DNKXZOCUWSLJCO-HUUCEWRRSA-N -1 3 360.414 0.920 10 0 FCAEHM C[C@H](C(=O)NC(=O)NCc1ccccc1)N1CCC(c2nc(=O)[n-][nH]2)CC1 ZINC000281068941 489050984 /nfs/dbraw/zinc/05/09/84/489050984.db2.gz SRWSMQFQJJAMHW-GFCCVEGCSA-N -1 3 372.429 0.692 10 0 FCAEHM COCc1ccccc1CNC(=O)CN1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000289352466 489060339 /nfs/dbraw/zinc/06/03/39/489060339.db2.gz GIIRNIVJEKDKGD-AWEZNQCLSA-N -1 3 359.430 0.740 10 0 FCAEHM CCN1CCN(CC[N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1 ZINC000289690253 489086615 /nfs/dbraw/zinc/08/66/15/489086615.db2.gz CYUBVFPPHVZNFF-UHFFFAOYSA-N -1 3 373.475 0.599 10 0 FCAEHM Cc1nc2ccccn2c(=O)c1CCN1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000289811058 489094908 /nfs/dbraw/zinc/09/49/08/489094908.db2.gz OEWUJNUGMUTHRS-ZDUSSCGKSA-N -1 3 354.414 0.836 10 0 FCAEHM Cc1nc2ccccn2c(=O)c1CCN1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000289811052 489095114 /nfs/dbraw/zinc/09/51/14/489095114.db2.gz OEWUJNUGMUTHRS-CYBMUJFWSA-N -1 3 354.414 0.836 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N(CCc1ccccn1)Cc1ccncc1 ZINC000281720072 489100888 /nfs/dbraw/zinc/10/08/88/489100888.db2.gz FDHCILOBGUASHH-UHFFFAOYSA-N -1 3 353.382 0.600 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C(C)C)s1 ZINC000330499044 489109306 /nfs/dbraw/zinc/10/93/06/489109306.db2.gz GAVCVOSVHVXKOA-LBPRGKRZSA-N -1 3 373.500 0.919 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)[C@H]2CCCN2C(=O)C(C)C)s1 ZINC000330499043 489109418 /nfs/dbraw/zinc/10/94/18/489109418.db2.gz GAVCVOSVHVXKOA-GFCCVEGCSA-N -1 3 373.500 0.919 10 0 FCAEHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@H]2CCN(C3CCOCC3)C2=O)c1 ZINC000365881389 489121997 /nfs/dbraw/zinc/12/19/97/489121997.db2.gz LTZKQYMLHYVUDT-AWEZNQCLSA-N -1 3 370.475 0.597 10 0 FCAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H](CO)NC(=O)C(C)C)cc2)n1 ZINC000365894921 489123356 /nfs/dbraw/zinc/12/33/56/489123356.db2.gz KTQPXCHVSGGIAZ-AWEZNQCLSA-N -1 3 358.398 0.817 10 0 FCAEHM Cc1ccc(C(=O)NCC(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1C ZINC000366086452 489142960 /nfs/dbraw/zinc/14/29/60/489142960.db2.gz PEWMQSAVSRXBKZ-GOSISDBHSA-N -1 3 358.398 0.234 10 0 FCAEHM O=C(c1ncccc1OCC(F)(F)F)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000366096055 489144042 /nfs/dbraw/zinc/14/40/42/489144042.db2.gz RQWAMNFKBVHWJK-AWEZNQCLSA-N -1 3 372.303 0.837 10 0 FCAEHM CC(=O)N1CCN(C(=O)C[N-]S(=O)(=O)c2ccccc2F)[C@@H](C)C1 ZINC000290598877 489151919 /nfs/dbraw/zinc/15/19/19/489151919.db2.gz VCMHZMHFVPTEQB-NSHDSACASA-N -1 3 357.407 0.183 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCOC[C@H]1CC(F)F ZINC000290790756 489165952 /nfs/dbraw/zinc/16/59/52/489165952.db2.gz DNZKIQFUUZXGAR-SNVBAGLBSA-N -1 3 367.374 0.452 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]CCCN1CCC(O)CC1 ZINC000290815706 489167025 /nfs/dbraw/zinc/16/70/25/489167025.db2.gz SPAMDUNXXCCNCH-UHFFFAOYSA-N -1 3 374.459 0.808 10 0 FCAEHM CCC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)C1 ZINC000331034320 489168120 /nfs/dbraw/zinc/16/81/20/489168120.db2.gz YEDZWJVCXQOUEF-LLVKDONJSA-N -1 3 360.457 0.379 10 0 FCAEHM NC(=O)[C@@H]1CCCCC[C@H]1NC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000555060315 491237126 /nfs/dbraw/zinc/23/71/26/491237126.db2.gz FSGLFSCXUGDPAG-GHMZBOCLSA-N -1 3 359.473 0.577 10 0 FCAEHM CNC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(Br)cn1)C(C)C ZINC000331130027 489176123 /nfs/dbraw/zinc/17/61/23/489176123.db2.gz SMRQUIAOXQOBSG-JTQLQIEISA-N -1 3 350.238 0.893 10 0 FCAEHM CC(C)[C@@H](NS(C)(=O)=O)C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000331212370 489185798 /nfs/dbraw/zinc/18/57/98/489185798.db2.gz SHLVJAWODLLZBM-CYBMUJFWSA-N -1 3 370.431 0.095 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CCc2nc(N)ncc2C1 ZINC000570394199 491238031 /nfs/dbraw/zinc/23/80/31/491238031.db2.gz YOXWPSSUQAOGKT-UHFFFAOYSA-N -1 3 365.397 1.122 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC1(CO)CCOCC1 ZINC000331273493 489192334 /nfs/dbraw/zinc/19/23/34/489192334.db2.gz CQSSKFFWGZBDNT-UHFFFAOYSA-N -1 3 363.457 0.158 10 0 FCAEHM O=C([C@@H]1COC(=O)N1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000283107481 489216152 /nfs/dbraw/zinc/21/61/52/489216152.db2.gz XQMVKMYLDVMUME-JTQLQIEISA-N -1 3 359.429 0.126 10 0 FCAEHM O=C(NC1CC1)c1nn[n-]c1NC(=O)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000297757864 489236305 /nfs/dbraw/zinc/23/63/05/489236305.db2.gz OSKLHVMCSSZGDV-MRVPVSSYSA-N -1 3 360.340 0.910 10 0 FCAEHM O=C(NC1CC1)c1[n-]nnc1NC(=O)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000297757864 489236308 /nfs/dbraw/zinc/23/63/08/489236308.db2.gz OSKLHVMCSSZGDV-MRVPVSSYSA-N -1 3 360.340 0.910 10 0 FCAEHM O=C(NC1CC1)c1n[n-]nc1NC(=O)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000297757864 489236313 /nfs/dbraw/zinc/23/63/13/489236313.db2.gz OSKLHVMCSSZGDV-MRVPVSSYSA-N -1 3 360.340 0.910 10 0 FCAEHM O=C(CN1C(=O)CCc2ccccc21)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000297823091 489246854 /nfs/dbraw/zinc/24/68/54/489246854.db2.gz VACQXCQSZHWNHR-UHFFFAOYSA-N -1 3 354.370 0.615 10 0 FCAEHM O=C(CN1C(=O)CCc2ccccc21)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000297823091 489246856 /nfs/dbraw/zinc/24/68/56/489246856.db2.gz VACQXCQSZHWNHR-UHFFFAOYSA-N -1 3 354.370 0.615 10 0 FCAEHM O=C(CN1C(=O)CCc2ccccc21)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000297823091 489246858 /nfs/dbraw/zinc/24/68/58/489246858.db2.gz VACQXCQSZHWNHR-UHFFFAOYSA-N -1 3 354.370 0.615 10 0 FCAEHM O=C(Nc1[n-]nnc1C(=O)NC1CC1)c1cn(CCc2ccccc2)nn1 ZINC000297835689 489249139 /nfs/dbraw/zinc/24/91/39/489249139.db2.gz WAWZVZWUZDGHNL-UHFFFAOYSA-N -1 3 366.385 0.783 10 0 FCAEHM O=C(Nc1nn[n-]c1C(=O)NC1CC1)c1cn(CCc2ccccc2)nn1 ZINC000297835689 489249140 /nfs/dbraw/zinc/24/91/40/489249140.db2.gz WAWZVZWUZDGHNL-UHFFFAOYSA-N -1 3 366.385 0.783 10 0 FCAEHM O=C(Nc1n[n-]nc1C(=O)NC1CC1)c1cn(CCc2ccccc2)nn1 ZINC000297835689 489249141 /nfs/dbraw/zinc/24/91/41/489249141.db2.gz WAWZVZWUZDGHNL-UHFFFAOYSA-N -1 3 366.385 0.783 10 0 FCAEHM Cc1nc(CN(C)C(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])no1 ZINC000283398760 489254579 /nfs/dbraw/zinc/25/45/79/489254579.db2.gz LBEUEESVGOBICC-UHFFFAOYSA-N -1 3 359.317 0.838 10 0 FCAEHM Cc1nc(CN(C)C(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)no1 ZINC000283398760 489254583 /nfs/dbraw/zinc/25/45/83/489254583.db2.gz LBEUEESVGOBICC-UHFFFAOYSA-N -1 3 359.317 0.838 10 0 FCAEHM O=C(NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000283595808 489279689 /nfs/dbraw/zinc/27/96/89/489279689.db2.gz KSISBRXBZYIRJU-SWLSCSKDSA-N -1 3 358.394 0.868 10 0 FCAEHM COCCN1CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)CC1 ZINC000298071002 489286084 /nfs/dbraw/zinc/28/60/84/489286084.db2.gz KSMVBEFPIXPKGN-ZDUSSCGKSA-N -1 3 373.450 0.283 10 0 FCAEHM CC[C@@H]1CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1c[nH]nc1C ZINC000349462941 489291303 /nfs/dbraw/zinc/29/13/03/489291303.db2.gz AUXCGRQPYIPIJN-LLVKDONJSA-N -1 3 350.466 0.664 10 0 FCAEHM O=c1[n-]c(=O)n(Cc2nc(C(F)F)no2)cc1I ZINC000563439627 491246705 /nfs/dbraw/zinc/24/67/05/491246705.db2.gz MZLTUSBPLYQOJM-UHFFFAOYSA-N -1 3 370.053 0.922 10 0 FCAEHM O=S(=O)(CCCCS(=O)(=O)N[C@H]1[C@@H]2CCC[C@@H]21)[N-]c1ccnnc1 ZINC000349587669 489322006 /nfs/dbraw/zinc/32/20/06/489322006.db2.gz NUPRTTWROAUBLX-WDNDVIMCSA-N -1 3 374.488 0.716 10 0 FCAEHM Cc1n[nH]c(C)c1[N-]S(=O)(=O)CCCS(=O)(=O)NC1CCC1 ZINC000349597578 489324051 /nfs/dbraw/zinc/32/40/51/489324051.db2.gz CGFHULCDVVCQQS-UHFFFAOYSA-N -1 3 350.466 0.630 10 0 FCAEHM O=c1[n-]c(=O)n(Cc2nc(-c3ccncn3)no2)cc1Br ZINC000349649148 489329917 /nfs/dbraw/zinc/32/99/17/489329917.db2.gz ASFPTRDPBTWHSR-UHFFFAOYSA-N -1 3 351.120 0.600 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1nc(N(C)C)n[nH]1 ZINC000285996894 489343368 /nfs/dbraw/zinc/34/33/68/489343368.db2.gz MHMLGNCZKDZREG-QMMMGPOBSA-N -1 3 356.383 0.315 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]Cc2nc(-c3ccn4cncc4c3)no2)cn1C ZINC000351108074 489354417 /nfs/dbraw/zinc/35/44/17/489354417.db2.gz UAJVZLKBSAOILT-UHFFFAOYSA-N -1 3 373.398 0.905 10 0 FCAEHM COC(=O)[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)CN1CC(=O)[N-]C1=O ZINC000361805259 489366921 /nfs/dbraw/zinc/36/69/21/489366921.db2.gz YPTRLXAYZDPYPR-CHWSQXEVSA-N -1 3 351.403 0.509 10 0 FCAEHM CCCCN(CC(N)=O)C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000298960240 489387926 /nfs/dbraw/zinc/38/79/26/489387926.db2.gz LBTYZWKKGMOREL-NSHDSACASA-N -1 3 359.423 0.607 10 0 FCAEHM O=C(CCNC(=O)c1ccc(F)cc1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000298968952 489389338 /nfs/dbraw/zinc/38/93/38/489389338.db2.gz OQBAFDGTQZNZIW-LBPRGKRZSA-N -1 3 361.377 0.763 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCc1cc(F)c(F)cc1Br ZINC000286431456 489390925 /nfs/dbraw/zinc/39/09/25/489390925.db2.gz LUOBJMCUTPRJHU-VIFPVBQESA-N -1 3 362.130 0.942 10 0 FCAEHM Cc1cc(C)cc(C(=O)NCC(=O)N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)c1 ZINC000555528799 491252378 /nfs/dbraw/zinc/25/23/78/491252378.db2.gz RRYJRLBZTLQWED-CQSZACIVSA-N -1 3 356.430 0.938 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NCc1cnc(Cl)s1 ZINC000299144510 489410209 /nfs/dbraw/zinc/41/02/09/489410209.db2.gz YDHUWHVXTSGPHG-UHFFFAOYSA-N -1 3 364.836 0.996 10 0 FCAEHM CS(=O)(=O)NCCC[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000286761024 489425992 /nfs/dbraw/zinc/42/59/92/489425992.db2.gz VRRYCVCZONYUNB-UHFFFAOYSA-N -1 3 361.367 0.318 10 0 FCAEHM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-]C[C@@H]2CCCN2C)c1 ZINC000299266308 489426354 /nfs/dbraw/zinc/42/63/54/489426354.db2.gz WDCGUKNRWPRWOS-LBPRGKRZSA-N -1 3 370.427 0.632 10 0 FCAEHM COc1cccc(CS(=O)(=O)[N-][C@H]2CCN(c3cnn(C)c3)C2=O)c1 ZINC000363125046 489427072 /nfs/dbraw/zinc/42/70/72/489427072.db2.gz GYDZAHVHAQDQHB-HNNXBMFYSA-N -1 3 364.427 0.654 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@@H]3CC[C@H](OC)C[C@H]32)c(C)o1 ZINC000371064576 489447092 /nfs/dbraw/zinc/44/70/92/489447092.db2.gz MFJVROZATCRHCE-IACUBPJLSA-N -1 3 372.443 0.905 10 0 FCAEHM CS(=O)(=O)[N-]c1cc(C(=O)NCCCN2CCCC2=O)ccc1F ZINC000299577262 489458095 /nfs/dbraw/zinc/45/80/95/489458095.db2.gz DAAKBDRPSHBZPK-UHFFFAOYSA-N -1 3 357.407 0.940 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1C[C@H](CCN2CCCC2=O)c2ccccc21 ZINC000371193651 489464565 /nfs/dbraw/zinc/46/45/65/489464565.db2.gz ADFJZUCPNJHCCR-JSGCOSHPSA-N -1 3 370.409 0.727 10 0 FCAEHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](CF)C(=O)OC ZINC000287149302 489465603 /nfs/dbraw/zinc/46/56/03/489465603.db2.gz CJIBRPQJAXABQE-SECBINFHSA-N -1 3 353.755 0.916 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)N[C@@H]2CCC(=O)N(C)C2)ccc1F ZINC000287226113 489471439 /nfs/dbraw/zinc/47/14/39/489471439.db2.gz NPWJYAMTTFHIRV-SNVBAGLBSA-N -1 3 358.395 0.476 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000371280456 489473048 /nfs/dbraw/zinc/47/30/48/489473048.db2.gz PVRVQIMYHOTYGA-NXEZZACHSA-N -1 3 354.457 0.812 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000371280456 489473050 /nfs/dbraw/zinc/47/30/50/489473050.db2.gz PVRVQIMYHOTYGA-NXEZZACHSA-N -1 3 354.457 0.812 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000363522794 489475629 /nfs/dbraw/zinc/47/56/29/489475629.db2.gz KWZDNKRRGZHBSO-UHFFFAOYSA-N -1 3 362.361 0.555 10 0 FCAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H](NC(=O)C3CC3)[C@@H](C)O)cc2)n1 ZINC000371562764 489488368 /nfs/dbraw/zinc/48/83/68/489488368.db2.gz WKMYEJUWGYLRBB-BZNIZROVSA-N -1 3 370.409 0.959 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N(C)[C@H]1CCCCNC1=O ZINC000371574213 489488790 /nfs/dbraw/zinc/48/87/90/489488790.db2.gz YUNYEKMYPUXKCD-AAEUAGOBSA-N -1 3 371.434 0.620 10 0 FCAEHM CC[C@H]([N-]S(=O)(=O)C[C@@H]1CCCC1(F)F)C(=O)N1CCOCC1 ZINC000451303683 489498185 /nfs/dbraw/zinc/49/81/85/489498185.db2.gz MXTKMNDETHOHAY-RYUDHWBXSA-N -1 3 354.419 0.979 10 0 FCAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@H](C(=O)NC)C(C)C ZINC000451331604 489499724 /nfs/dbraw/zinc/49/97/24/489499724.db2.gz FDBCSWANYHHBJM-SCZZXKLOSA-N -1 3 362.370 0.561 10 0 FCAEHM Cc1cc(S(=O)(=O)[N-]C[C@]2(O)CCS(=O)(=O)C2)c(Cl)cc1F ZINC000451685820 489517796 /nfs/dbraw/zinc/51/77/96/489517796.db2.gz NCUTXYASQFHRIJ-GFCCVEGCSA-N -1 3 371.839 0.615 10 0 FCAEHM CO[C@@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000451774869 489523253 /nfs/dbraw/zinc/52/32/53/489523253.db2.gz NVZONWMDTZLFER-VXGBXAGGSA-N -1 3 363.457 0.420 10 0 FCAEHM CCOC(=O)c1cc(C(=O)[N-]c2cc3c(cc2O)n(C)c(=O)n3C)on1 ZINC000451867543 489526983 /nfs/dbraw/zinc/52/69/83/489526983.db2.gz LEHSKFGMNLFSHW-UHFFFAOYSA-N -1 3 360.326 1.000 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@@]2(CCOC2)C1 ZINC000452018371 489538751 /nfs/dbraw/zinc/53/87/51/489538751.db2.gz QQMOEXHNYQFOKA-OAHLLOKOSA-N -1 3 374.484 0.786 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@@H](C)CN1CCOCC1 ZINC000563667326 491261800 /nfs/dbraw/zinc/26/18/00/491261800.db2.gz QUBLZSKJASCNQP-JTQLQIEISA-N -1 3 360.432 0.682 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NCCCC1CCOCC1 ZINC000452208825 489550778 /nfs/dbraw/zinc/55/07/78/489550778.db2.gz MSYPUJGGCMOLST-UHFFFAOYSA-N -1 3 359.448 0.893 10 0 FCAEHM CN(C(=O)CN1CC(=O)[N-]C1=O)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000372162564 489554807 /nfs/dbraw/zinc/55/48/07/489554807.db2.gz KEOOATKZHHQLIC-JTQLQIEISA-N -1 3 371.802 0.179 10 0 FCAEHM Cc1cc(F)cc2c(=O)c(C(=O)N3CC[C@H](NS(C)(=O)=O)C3)c[n-]c12 ZINC000426343383 489563860 /nfs/dbraw/zinc/56/38/60/489563860.db2.gz DFUVCEDQRNQSMT-NSHDSACASA-N -1 3 367.402 0.739 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)N2C[C@@H](C)N(CCO)C[C@@H]2C)c([O-])c1 ZINC000416305497 489581386 /nfs/dbraw/zinc/58/13/86/489581386.db2.gz IXADJFCAGBGXHV-CABCVRRESA-N -1 3 363.458 0.734 10 0 FCAEHM CNC(=O)c1cc(Cl)c(C)c(S(=O)(=O)[N-][C@@H](CF)C(=O)OC)c1 ZINC000416490063 489600492 /nfs/dbraw/zinc/60/04/92/489600492.db2.gz UGFRBJGGWVWCDS-JTQLQIEISA-N -1 3 366.798 0.797 10 0 FCAEHM CC[C@@H](CNS(C)(=O)=O)[N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C ZINC000416497955 489601746 /nfs/dbraw/zinc/60/17/46/489601746.db2.gz UEGUYSYWDQOZDM-MNOVXSKESA-N -1 3 364.493 0.387 10 0 FCAEHM CC[C@H]([N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F)[C@@H](O)C(F)F ZINC000416498364 489601771 /nfs/dbraw/zinc/60/17/71/489601771.db2.gz VCOQFQOLHAAJNX-QUBYGPBYSA-N -1 3 354.306 0.943 10 0 FCAEHM O=C(NCCCN1C(=O)CNC1=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000372604345 489607062 /nfs/dbraw/zinc/60/70/62/489607062.db2.gz JWMUOQHQXOPZLR-CYBMUJFWSA-N -1 3 374.397 0.055 10 0 FCAEHM Cn1nccc1[C@H](CO)[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000416543301 489608238 /nfs/dbraw/zinc/60/82/38/489608238.db2.gz DOXHFRFWSVWIRP-JTQLQIEISA-N -1 3 361.221 0.590 10 0 FCAEHM O=S(=O)([N-]C[C@H](O)Cn1ccnn1)c1ccc(Cl)c(Cl)c1 ZINC000416550967 489608587 /nfs/dbraw/zinc/60/85/87/489608587.db2.gz AEDXJBBPLAACIE-QMMMGPOBSA-N -1 3 351.215 0.924 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H]1CCN(CC(F)F)C1 ZINC000416666290 489624681 /nfs/dbraw/zinc/62/46/81/489624681.db2.gz WHKYZWHYADNQBB-JTQLQIEISA-N -1 3 368.427 0.708 10 0 FCAEHM CS(=O)(=O)c1cccnc1CNC(=O)CNC(=O)c1cccc([O-])c1 ZINC000428024614 489633127 /nfs/dbraw/zinc/63/31/27/489633127.db2.gz VWFVLULOOOAIMK-UHFFFAOYSA-N -1 3 363.395 0.237 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCN(CCO)C[C@H]1C ZINC000457142001 489638247 /nfs/dbraw/zinc/63/82/47/489638247.db2.gz YVDYMIQRXOVDJA-OLZOCXBDSA-N -1 3 373.450 0.018 10 0 FCAEHM CNC(=O)[C@@H](NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O)C(C)C ZINC000428140845 489639805 /nfs/dbraw/zinc/63/98/05/489639805.db2.gz OFRWUMYZKSRWKD-INIZCTEOSA-N -1 3 371.441 0.960 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)N2CCO[C@@H]([C@H](C)O)C2)ccc1F ZINC000417098103 489641186 /nfs/dbraw/zinc/64/11/86/489641186.db2.gz BLCXZBXVVKGAFJ-JOYOIKCWSA-N -1 3 361.395 0.347 10 0 FCAEHM CCOC(=O)[C@H](Cc1ccccn1)[N-]S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000428421339 489647727 /nfs/dbraw/zinc/64/77/27/489647727.db2.gz JZJZDPCCFNISHO-NFAWXSAZSA-N -1 3 371.459 0.499 10 0 FCAEHM CCOC(=O)[C@H](Cc1ccccn1)[N-]S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000428421336 489647744 /nfs/dbraw/zinc/64/77/44/489647744.db2.gz JZJZDPCCFNISHO-GUTXKFCHSA-N -1 3 371.459 0.499 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCc1cc(C(N)=O)co1 ZINC000428690417 489660799 /nfs/dbraw/zinc/66/07/99/489660799.db2.gz SEMSAAHVDKSGPQ-MRVPVSSYSA-N -1 3 357.413 0.423 10 0 FCAEHM NC(=O)CN1CCN(C(=O)CCc2ccc3ccccc3c2[O-])CC1=O ZINC000458063528 489668744 /nfs/dbraw/zinc/66/87/44/489668744.db2.gz FWWHPZOHVHKGLL-UHFFFAOYSA-N -1 3 355.394 0.634 10 0 FCAEHM COc1ccc(Cl)c(S(=O)(=O)[N-]CC(=O)Nc2ccn(C)n2)c1 ZINC000429315430 489681803 /nfs/dbraw/zinc/68/18/03/489681803.db2.gz FMJZAUYSHUQSQP-UHFFFAOYSA-N -1 3 358.807 0.999 10 0 FCAEHM Cc1ccccc1[C@H](CC(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1)NC(N)=O ZINC000570886729 491271630 /nfs/dbraw/zinc/27/16/30/491271630.db2.gz GHJOUDVQZBHAGC-KBPBESRZSA-N -1 3 371.445 0.999 10 0 FCAEHM O=C([N-]c1cnns1)C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000429672378 489695678 /nfs/dbraw/zinc/69/56/78/489695678.db2.gz DETUEJBPQQPCMS-UHFFFAOYSA-N -1 3 361.427 0.625 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)NCC[C@@H](C)O)CCCC1 ZINC000469560606 489712541 /nfs/dbraw/zinc/71/25/41/489712541.db2.gz PENPAELJMYFISF-SNVBAGLBSA-N -1 3 359.448 0.770 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-]CC[C@@H](O)C(F)(F)F)cnc1C ZINC000489480923 489712893 /nfs/dbraw/zinc/71/28/93/489712893.db2.gz PUWCIPZGMZYLCS-SNVBAGLBSA-N -1 3 356.322 0.768 10 0 FCAEHM CCc1cnc(N2CCN(C(=O)c3[nH]c(=O)[n-]c(=O)c3N)CC2)s1 ZINC000469572758 489713208 /nfs/dbraw/zinc/71/32/08/489713208.db2.gz NCTVHAWXPTXACL-UHFFFAOYSA-N -1 3 350.404 0.451 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]Cc1ccc(C(N)=O)o1 ZINC000474203035 489747410 /nfs/dbraw/zinc/74/74/10/489747410.db2.gz XRJSGNUCKGIHNZ-UHFFFAOYSA-N -1 3 358.397 0.261 10 0 FCAEHM COc1cc(C(=O)N2CCN(c3nccn(C)c3=O)CC2)cc(OC)c1[O-] ZINC000491077922 489794350 /nfs/dbraw/zinc/79/43/50/489794350.db2.gz TXBMKWLLTMSZRY-UHFFFAOYSA-N -1 3 374.397 0.466 10 0 FCAEHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)Cc1cc[nH]n1 ZINC000491598263 489809021 /nfs/dbraw/zinc/80/90/21/489809021.db2.gz DWEADHPFORPMAI-UHFFFAOYSA-N -1 3 358.445 0.529 10 0 FCAEHM COc1ccncc1C[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000431599131 489812402 /nfs/dbraw/zinc/81/24/02/489812402.db2.gz FHNFVGIGXBLHCO-UHFFFAOYSA-N -1 3 356.425 0.972 10 0 FCAEHM COCCCOC1CN(C(=O)c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)C1 ZINC000431707742 489815753 /nfs/dbraw/zinc/81/57/53/489815753.db2.gz IPEYTFQXOAQHOH-SFHVURJKSA-N -1 3 361.398 0.619 10 0 FCAEHM COCCCCS(=O)(=O)NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000475755035 489846102 /nfs/dbraw/zinc/84/61/02/489846102.db2.gz KWTIOPDYTIUULH-MRXNPFEDSA-N -1 3 369.443 0.587 10 0 FCAEHM C[C@H]1CCCc2nc(S(=O)(=O)[N-]CCCN(C)S(C)(=O)=O)cn21 ZINC000668101749 493317589 /nfs/dbraw/zinc/31/75/89/493317589.db2.gz DZNNXBLAQQFENK-NSHDSACASA-N -1 3 364.493 0.340 10 0 FCAEHM O=C(C[C@@H]1COCCN1C(=O)CN1CC(=O)[N-]C1=O)c1cccs1 ZINC000555926303 491284136 /nfs/dbraw/zinc/28/41/36/491284136.db2.gz YPVAIKYHYGEMFQ-SNVBAGLBSA-N -1 3 351.384 0.100 10 0 FCAEHM O=C(c1cccc(Nc2cnccn2)c1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000377201593 489866991 /nfs/dbraw/zinc/86/69/91/489866991.db2.gz MRHWCOBSKFIMOA-SFHVURJKSA-N -1 3 366.381 1.034 10 0 FCAEHM COC(=O)c1cc(-c2ccccc2CNC(=O)CN2CC(=O)[N-]C2=O)[nH]n1 ZINC000476235768 489875739 /nfs/dbraw/zinc/87/57/39/489875739.db2.gz ULTMSVLIJGSYQD-UHFFFAOYSA-N -1 3 371.353 0.031 10 0 FCAEHM COc1cccc(OC)c1S(=O)(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000433442423 489884606 /nfs/dbraw/zinc/88/46/06/489884606.db2.gz HAPPZTCAPGKAKC-HNNXBMFYSA-N -1 3 369.399 0.067 10 0 FCAEHM COCc1ccc(S(=O)(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000433452225 489885717 /nfs/dbraw/zinc/88/57/17/489885717.db2.gz FYZJMTVCXHFEJI-HNNXBMFYSA-N -1 3 353.400 0.196 10 0 FCAEHM CCOC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000494372260 489887146 /nfs/dbraw/zinc/88/71/46/489887146.db2.gz UVUBWNLQOUURAF-VIFPVBQESA-N -1 3 350.824 0.907 10 0 FCAEHM C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000494465419 489892214 /nfs/dbraw/zinc/89/22/14/489892214.db2.gz VZUOQZRXJPVGGQ-MYFIVHGGSA-N -1 3 358.398 0.467 10 0 FCAEHM COc1cc(N2CCN(C(=O)CCc3c(C)nc(C)[n-]c3=O)CC2)ncn1 ZINC000461205203 489898987 /nfs/dbraw/zinc/89/89/87/489898987.db2.gz WCIXAKZBVVKODL-UHFFFAOYSA-N -1 3 372.429 0.879 10 0 FCAEHM CN(CCN1CCOCC1)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000377517977 489913328 /nfs/dbraw/zinc/91/33/28/489913328.db2.gz DHUMTDOKRKCKKW-INIZCTEOSA-N -1 3 361.442 0.787 10 0 FCAEHM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CCO1 ZINC000377533811 489916745 /nfs/dbraw/zinc/91/67/45/489916745.db2.gz MOQQTPSOOVCEOY-ZFWWWQNUSA-N -1 3 362.382 0.397 10 0 FCAEHM COC(=O)[C@H](C[C@H]1CCCc2ccccc21)NC(=O)CN1CC(=O)[N-]C1=O ZINC000461751432 489932879 /nfs/dbraw/zinc/93/28/79/489932879.db2.gz ZAZMLGSNPIRYBQ-HIFRSBDPSA-N -1 3 373.409 0.706 10 0 FCAEHM COc1ccc(S(=O)(=O)N2CC(C)C2)cc1[C@@]1(C)NC(=O)[N-]C1=O ZINC000477150038 489946343 /nfs/dbraw/zinc/94/63/43/489946343.db2.gz HKTDLJZUYAQZPA-OAHLLOKOSA-N -1 3 353.400 0.390 10 0 FCAEHM O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000477251192 489953735 /nfs/dbraw/zinc/95/37/35/489953735.db2.gz LAQXULDGSVDKCP-UHFFFAOYSA-N -1 3 353.338 0.183 10 0 FCAEHM O=C(CCN1CCC[C@@]2(C1)NC(=O)[N-]C2=O)NCC(=O)c1ccccc1 ZINC000434787770 489957077 /nfs/dbraw/zinc/95/70/77/489957077.db2.gz WGQWJLPQNPOXQC-SFHVURJKSA-N -1 3 358.398 0.050 10 0 FCAEHM CC(=O)Nc1ccc(NC(=O)CN2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000434794554 489958246 /nfs/dbraw/zinc/95/82/46/489958246.db2.gz FJYQSFXEVSVETC-QGZVFWFLSA-N -1 3 359.386 0.258 10 0 FCAEHM CCOC(=O)c1ccccc1NC(=O)CN1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000434795903 489958316 /nfs/dbraw/zinc/95/83/16/489958316.db2.gz SGMQDPZBOKJYGF-GOSISDBHSA-N -1 3 374.397 0.476 10 0 FCAEHM CCn1nccc1CN(CCO)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000477423072 489964116 /nfs/dbraw/zinc/96/41/16/489964116.db2.gz OCLJTJJCXRPLQV-UHFFFAOYSA-N -1 3 366.443 0.909 10 0 FCAEHM CC(C)(C)C(=O)C[N-]S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000477469773 489967397 /nfs/dbraw/zinc/96/73/97/489967397.db2.gz WJAKEMSAOQBDOK-UHFFFAOYSA-N -1 3 354.494 0.193 10 0 FCAEHM COCCOC[C@@H](C)[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000462414299 489974445 /nfs/dbraw/zinc/97/44/45/489974445.db2.gz LGTSNAZBYSPCMX-LLVKDONJSA-N -1 3 351.446 0.420 10 0 FCAEHM COc1ccc2c(c1)OC[C@@H]2CC(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000556082093 491292553 /nfs/dbraw/zinc/29/25/53/491292553.db2.gz PYMLUKMKUHWRGX-VOJFVSQTSA-N -1 3 359.382 0.762 10 0 FCAEHM Cn1cc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccncc3)cc2)nn1 ZINC000462935876 489997074 /nfs/dbraw/zinc/99/70/74/489997074.db2.gz LYLPJFXWOXIOMX-UHFFFAOYSA-N -1 3 358.383 0.685 10 0 FCAEHM O=C(NC[C@@H](O)COCC1CC1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436632711 490009495 /nfs/dbraw/zinc/00/94/95/490009495.db2.gz ZWOBBDAFAXFQDI-ZBFHGGJFSA-N -1 3 362.426 0.901 10 0 FCAEHM O=C(c1ccc([O-])cc1)N1CCN(c2ccnc(N3CCOCC3)n2)CC1 ZINC000436815330 490013050 /nfs/dbraw/zinc/01/30/50/490013050.db2.gz VEJQSQVUFOGCLP-UHFFFAOYSA-N -1 3 369.425 0.981 10 0 FCAEHM Cn1cc(C[C@H](O)C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cn1 ZINC000436832553 490014159 /nfs/dbraw/zinc/01/41/59/490014159.db2.gz SDQOMLSEFSAWNT-INIZCTEOSA-N -1 3 358.398 0.014 10 0 FCAEHM CSc1c(C(=O)NCC[N-]S(=O)(=O)c2cccs2)cnn1C ZINC000478342850 490016229 /nfs/dbraw/zinc/01/62/29/490016229.db2.gz NOYIZYLSLARRHG-UHFFFAOYSA-N -1 3 360.486 0.912 10 0 FCAEHM C[C@]1(c2ccc(C(=O)NCc3nnc4ccccn43)cc2)NC(=O)[N-]C1=O ZINC000478495839 490021756 /nfs/dbraw/zinc/02/17/56/490021756.db2.gz VMUHDOJKYFVQBY-GOSISDBHSA-N -1 3 364.365 0.714 10 0 FCAEHM CCN(C(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C)c1)[C@@H]1CCOC1 ZINC000463983860 490035626 /nfs/dbraw/zinc/03/56/26/490035626.db2.gz VNHSXYORIUBAHG-LLVKDONJSA-N -1 3 373.406 0.310 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000421268146 490065357 /nfs/dbraw/zinc/06/53/57/490065357.db2.gz XMVPIZSBYXFYOD-LLVKDONJSA-N -1 3 367.427 0.909 10 0 FCAEHM COC[C@](C)([N-]S(=O)(=O)c1ccc(-n2cnnn2)cc1)C(F)(F)F ZINC000479127662 490067674 /nfs/dbraw/zinc/06/76/74/490067674.db2.gz DODDVZKPENMOQI-NSHDSACASA-N -1 3 365.337 0.908 10 0 FCAEHM COc1ccc2c(c1)[n-]cc(C(=O)NCCCN1CCNC(=O)C1)c2=O ZINC000495462100 490078632 /nfs/dbraw/zinc/07/86/32/490078632.db2.gz HGYSQSMGEWCMBP-UHFFFAOYSA-N -1 3 358.398 0.088 10 0 FCAEHM COc1cccc(-c2nc(=NC(=O)NC[C@@]3(O)CCN(C)C3)s[n-]2)c1 ZINC000545169189 490090485 /nfs/dbraw/zinc/09/04/85/490090485.db2.gz BKEDDCBUOFPNEV-INIZCTEOSA-N -1 3 363.443 0.824 10 0 FCAEHM Cn1ccnc1CN1CCC[C@H](NC(=O)c2cc(F)cc3nn[n-]c32)C1=O ZINC000519828259 490093136 /nfs/dbraw/zinc/09/31/36/490093136.db2.gz MEOIDRPBONXRGE-LBPRGKRZSA-N -1 3 371.376 0.752 10 0 FCAEHM Cn1ccnc1CN1CCC[C@H](NC(=O)c2cc(F)cc3[n-]nnc32)C1=O ZINC000519828259 490093139 /nfs/dbraw/zinc/09/31/39/490093139.db2.gz MEOIDRPBONXRGE-LBPRGKRZSA-N -1 3 371.376 0.752 10 0 FCAEHM Cn1ccnc1CN1CCC[C@H](NC(=O)c2cc(F)cc3n[n-]nc32)C1=O ZINC000519828259 490093140 /nfs/dbraw/zinc/09/31/40/490093140.db2.gz MEOIDRPBONXRGE-LBPRGKRZSA-N -1 3 371.376 0.752 10 0 FCAEHM C[C@@H]1CCCN1S(=O)(=O)Nc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000545313661 490115620 /nfs/dbraw/zinc/11/56/20/490115620.db2.gz WRJJBDUEEVEJQK-MEBBXXQBSA-N -1 3 352.416 0.882 10 0 FCAEHM Cc1nc(C)c(CC(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)c(=O)[n-]1 ZINC000506686877 490126852 /nfs/dbraw/zinc/12/68/52/490126852.db2.gz KWIWLFVPDLNENK-DGCLKSJQSA-N -1 3 356.448 0.176 10 0 FCAEHM Cc1nc(C)c(CC(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)c(=O)[n-]1 ZINC000506686878 490127326 /nfs/dbraw/zinc/12/73/26/490127326.db2.gz KWIWLFVPDLNENK-WCQYABFASA-N -1 3 356.448 0.176 10 0 FCAEHM COCCOCCS(=O)(=O)[N-]c1cccc(Cn2cccnc2=O)c1 ZINC000532843436 490127726 /nfs/dbraw/zinc/12/77/26/490127726.db2.gz HODRYXISOVXUNI-UHFFFAOYSA-N -1 3 367.427 0.696 10 0 FCAEHM COc1cccc(F)c1[C@H](C)NC(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000545411830 490131975 /nfs/dbraw/zinc/13/19/75/490131975.db2.gz WXTKRVDHRWOUKE-GXSJLCMTSA-N -1 3 350.350 0.841 10 0 FCAEHM C[C@H](NC(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1)c1cn(-c2ccccc2)nn1 ZINC000545433864 490135280 /nfs/dbraw/zinc/13/52/80/490135280.db2.gz LVRFNKZEGOZZRO-FZMZJTMJSA-N -1 3 369.385 0.274 10 0 FCAEHM C[C@H](NC(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1)[C@H]1Oc2ccccc2[C@H]1C ZINC000545435621 490135601 /nfs/dbraw/zinc/13/56/01/490135601.db2.gz SRPGRXZKEQERAF-MPXAEWJHSA-N -1 3 358.398 0.885 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N[C@@H]1CCc2nnnn2CC1 ZINC000422076634 490136257 /nfs/dbraw/zinc/13/62/57/490136257.db2.gz ZJIFBUHERGFHPT-SNVBAGLBSA-N -1 3 368.401 0.673 10 0 FCAEHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CCCN(C)C1 ZINC000392506412 490151902 /nfs/dbraw/zinc/15/19/02/490151902.db2.gz RFJOLZGUONGQIZ-JTQLQIEISA-N -1 3 357.388 0.754 10 0 FCAEHM C[C@@H]1CCCN1S(=O)(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000546024964 490177506 /nfs/dbraw/zinc/17/75/06/490177506.db2.gz SFKLJXCVJJMCHF-SNVBAGLBSA-N -1 3 353.491 0.345 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]Cc2cn(-c3ccc(OC)cc3)nn2)c1 ZINC000447153617 490192358 /nfs/dbraw/zinc/19/23/58/490192358.db2.gz FLSWPENZNHYXSK-UHFFFAOYSA-N -1 3 362.415 0.971 10 0 FCAEHM COc1cc(CN(C)C(=O)CN2CC(=O)[N-]C2=O)ccc1OC(F)F ZINC000521165261 490232052 /nfs/dbraw/zinc/23/20/52/490232052.db2.gz PXVMTTQBRNZWCE-UHFFFAOYSA-N -1 3 357.313 0.807 10 0 FCAEHM CNC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000497933765 490234579 /nfs/dbraw/zinc/23/45/79/490234579.db2.gz GINOBEXXGKFZGI-MNOVXSKESA-N -1 3 360.457 0.283 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2cnc(N(C)C)nc2)c(C)o1 ZINC000507568035 490236565 /nfs/dbraw/zinc/23/65/65/490236565.db2.gz NSRJPNKJNORQHX-UHFFFAOYSA-N -1 3 367.431 0.624 10 0 FCAEHM C[C@@H]1CCCN1S(=O)(=O)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000546728840 490237352 /nfs/dbraw/zinc/23/73/52/490237352.db2.gz UMYISAKSBKHXHP-MFKMUULPSA-N -1 3 352.416 0.578 10 0 FCAEHM C[C@H](NC(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1)c1ccc(-n2ccnn2)cc1 ZINC000546848159 490251000 /nfs/dbraw/zinc/25/10/00/490251000.db2.gz MFQAXRWDIATSCL-FZMZJTMJSA-N -1 3 369.385 0.274 10 0 FCAEHM CC(C)[C@H](NC(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1)c1nnc2ccccn21 ZINC000546850913 490251425 /nfs/dbraw/zinc/25/14/25/490251425.db2.gz HAKAITLDXBAXEW-YPMHNXCESA-N -1 3 371.401 0.372 10 0 FCAEHM COc1ccc(CCNC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)c(Cl)c1 ZINC000546848068 490251859 /nfs/dbraw/zinc/25/18/59/490251859.db2.gz ODQFLJZLMZFXFW-CYBMUJFWSA-N -1 3 366.805 0.837 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCNC[C@H]2c2cccnc2)cn1 ZINC000571520850 491313182 /nfs/dbraw/zinc/31/31/82/491313182.db2.gz JMMDCTXOCOCEKB-AWEZNQCLSA-N -1 3 361.427 0.171 10 0 FCAEHM COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2cc(=O)[n-]c(N(C)C)n2)C1 ZINC000547325717 490279482 /nfs/dbraw/zinc/27/94/82/490279482.db2.gz WACGZSMAKAPBIT-VXGBXAGGSA-N -1 3 365.434 0.252 10 0 FCAEHM CCOC(=O)CC1(NC(=O)c2ccc(S(=O)(=O)[N-]C)nc2)CCCC1 ZINC000447857505 490282072 /nfs/dbraw/zinc/28/20/72/490282072.db2.gz DLWKKAYGDRWBHS-UHFFFAOYSA-N -1 3 369.443 0.986 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-][C@H](CS(C)(=O)=O)c2ccccc2)c1 ZINC000533800906 490284448 /nfs/dbraw/zinc/28/44/48/490284448.db2.gz FZFHDQFTYZDJBB-CYBMUJFWSA-N -1 3 357.457 0.967 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-]CC(=O)NCc2ccco2)c(C)o1 ZINC000533817981 490288476 /nfs/dbraw/zinc/28/84/76/490288476.db2.gz BYXNMDLRITYXLD-UHFFFAOYSA-N -1 3 356.356 0.562 10 0 FCAEHM COC(=O)[C@@H]1CCN(C(=O)CC[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000521844467 490301910 /nfs/dbraw/zinc/30/19/10/490301910.db2.gz MFCZPEDPPATWMX-LLVKDONJSA-N -1 3 358.391 0.516 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cn1C ZINC000408349221 490312420 /nfs/dbraw/zinc/31/24/20/490312420.db2.gz HFEHEHFLFJTTHP-XJKSGUPXSA-N -1 3 370.475 0.160 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CCCS(=O)(=O)CC1 ZINC000522000790 490324147 /nfs/dbraw/zinc/32/41/47/490324147.db2.gz DDOUHFNMGNECSM-UHFFFAOYSA-N -1 3 364.427 0.812 10 0 FCAEHM NC(=O)N1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000408409595 490329808 /nfs/dbraw/zinc/32/98/08/490329808.db2.gz ACRRTVDGWCNBCW-AWEZNQCLSA-N -1 3 360.414 0.610 10 0 FCAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CN3CCN(C)C(=O)C3)cc2)n1 ZINC000547716950 490346112 /nfs/dbraw/zinc/34/61/12/490346112.db2.gz QHUYUTKQKSKUNT-UHFFFAOYSA-N -1 3 355.398 0.458 10 0 FCAEHM CCCn1nccc1NC(=O)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000448505780 490358200 /nfs/dbraw/zinc/35/82/00/490358200.db2.gz QFPVNPRHOWIWRO-UHFFFAOYSA-N -1 3 359.386 0.483 10 0 FCAEHM COc1cc(=NC(=O)CCCCC(=O)N=c2cc(OC)n(C)[nH]2)[n-]n1C ZINC000547815858 490363415 /nfs/dbraw/zinc/36/34/15/490363415.db2.gz REGHNDAMAOLWMP-UHFFFAOYSA-N -1 3 364.406 0.152 10 0 FCAEHM O=C(NC1CC1)C(=O)N1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000508936755 490372265 /nfs/dbraw/zinc/37/22/65/490372265.db2.gz ZCMUBPSPBYHUAJ-UHFFFAOYSA-N -1 3 368.393 0.091 10 0 FCAEHM C[C@@H](CO)[C@H](C)NC(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000534564171 490382670 /nfs/dbraw/zinc/38/26/70/490382670.db2.gz FRONYQPUBRXEIP-UWVGGRQHSA-N -1 3 350.387 0.766 10 0 FCAEHM CCn1c2ccccc2n(CC(=O)Nc2[n-]nnc2C(=O)NC2CC2)c1=O ZINC000411102039 490387824 /nfs/dbraw/zinc/38/78/24/490387824.db2.gz AFFRTTLBOLUYEB-UHFFFAOYSA-N -1 3 369.385 0.472 10 0 FCAEHM CCn1c2ccccc2n(CC(=O)Nc2nn[n-]c2C(=O)NC2CC2)c1=O ZINC000411102039 490387829 /nfs/dbraw/zinc/38/78/29/490387829.db2.gz AFFRTTLBOLUYEB-UHFFFAOYSA-N -1 3 369.385 0.472 10 0 FCAEHM CCn1c2ccccc2n(CC(=O)Nc2n[n-]nc2C(=O)NC2CC2)c1=O ZINC000411102039 490387835 /nfs/dbraw/zinc/38/78/35/490387835.db2.gz AFFRTTLBOLUYEB-UHFFFAOYSA-N -1 3 369.385 0.472 10 0 FCAEHM CCCC(=O)N1CSC[C@H]1C(=O)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000411104346 490388882 /nfs/dbraw/zinc/38/88/82/490388882.db2.gz LWNKYMFBASJNMK-VIFPVBQESA-N -1 3 352.420 0.337 10 0 FCAEHM CCCC(=O)N1CSC[C@H]1C(=O)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000411104346 490388888 /nfs/dbraw/zinc/38/88/88/490388888.db2.gz LWNKYMFBASJNMK-VIFPVBQESA-N -1 3 352.420 0.337 10 0 FCAEHM CCCC(=O)N1CSC[C@H]1C(=O)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000411104346 490388891 /nfs/dbraw/zinc/38/88/91/490388891.db2.gz LWNKYMFBASJNMK-VIFPVBQESA-N -1 3 352.420 0.337 10 0 FCAEHM COCCOCCS(=O)(=O)[N-]c1ccc(C)c(S(C)(=O)=O)c1 ZINC000534688762 490398414 /nfs/dbraw/zinc/39/84/14/490398414.db2.gz XYGGXDNAKRJKNL-UHFFFAOYSA-N -1 3 351.446 0.803 10 0 FCAEHM CCCc1nc(=NC(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)s[n-]1 ZINC000411175564 490400767 /nfs/dbraw/zinc/40/07/67/490400767.db2.gz DFBJDTNCFOXPKJ-GFCCVEGCSA-N -1 3 351.476 0.938 10 0 FCAEHM NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc([O-])c1 ZINC000509241055 490406569 /nfs/dbraw/zinc/40/65/69/490406569.db2.gz RPBLMKRPOUUFKL-INIZCTEOSA-N -1 3 355.394 0.725 10 0 FCAEHM O=C(NCc1nnnn1CC1CC1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000548108881 490422130 /nfs/dbraw/zinc/42/21/30/490422130.db2.gz QNOUUOKLTGLGQU-AWEZNQCLSA-N -1 3 370.413 0.710 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N2C[C@H](C)[C@@H]2C)s1 ZINC000509639427 490447704 /nfs/dbraw/zinc/44/77/04/490447704.db2.gz UXJYONIZTSTOJL-UWVGGRQHSA-N -1 3 359.473 0.529 10 0 FCAEHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCN2CCC1CC2 ZINC000468984253 490473072 /nfs/dbraw/zinc/47/30/72/490473072.db2.gz OYSYTKWMVOIKNC-UHFFFAOYSA-N -1 3 373.500 0.454 10 0 FCAEHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C(N)=O)C1 ZINC000535332175 490480930 /nfs/dbraw/zinc/48/09/30/490480930.db2.gz MVDPRJCQKJWNEK-GXSJLCMTSA-N -1 3 358.391 0.935 10 0 FCAEHM COC(=O)[C@@H]1CC[C@H](C(=O)NCc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)C1 ZINC000411865950 490489347 /nfs/dbraw/zinc/48/93/47/490489347.db2.gz WQOOGTLHKKXHRL-QUJCMNEKSA-N -1 3 373.409 0.947 10 0 FCAEHM COc1cc(NC(=O)NCC[N-]S(=O)(=O)c2cccs2)nn1C ZINC000548495460 490492913 /nfs/dbraw/zinc/49/29/13/490492913.db2.gz LZVXFFQJWRCEJJ-UHFFFAOYSA-N -1 3 359.433 0.590 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2CC(=O)NC[C@H]2COc3ccccc3O2)nc1=N ZINC000450905695 490497251 /nfs/dbraw/zinc/49/72/51/490497251.db2.gz PPYGAJNXBMGKST-STQMWFEESA-N -1 3 372.429 0.321 10 0 FCAEHM CCOC(=O)C1(COC)CCN(C(=O)C(=O)[N-]c2cnns2)CC1 ZINC000485094607 490499369 /nfs/dbraw/zinc/49/93/69/490499369.db2.gz SVQPWGWLBBKBHT-UHFFFAOYSA-N -1 3 356.404 0.295 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N(CC(F)F)CC2CCC2)cn1C ZINC000535667831 490511645 /nfs/dbraw/zinc/51/16/45/490511645.db2.gz XFNQQTMFEDJYFK-UHFFFAOYSA-N -1 3 364.418 0.901 10 0 FCAEHM COc1ccc(NC(=O)C[N-]S(=O)(=O)CCOC(C)C)cc1CO ZINC000535708440 490514547 /nfs/dbraw/zinc/51/45/47/490514547.db2.gz RHIPOXUXXKPDAP-UHFFFAOYSA-N -1 3 360.432 0.470 10 0 FCAEHM Cc1cnc(N)c(S(=O)(=O)N2CCC[C@@H]2C[C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000510488459 490521260 /nfs/dbraw/zinc/52/12/60/490521260.db2.gz KKLODROCIATUEJ-MEBBXXQBSA-N -1 3 367.431 0.114 10 0 FCAEHM CCOC(=O)CC[C@H](C)NC(=O)N1CCC[C@H]1C[C@]1(C)NC(=O)[N-]C1=O ZINC000500525265 490531313 /nfs/dbraw/zinc/53/13/13/490531313.db2.gz NJNLUOZXRSZWPH-PRXAMGSTSA-N -1 3 368.434 0.880 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CCN2C(=O)CC[C@H]2C1 ZINC000536566160 490592959 /nfs/dbraw/zinc/59/29/59/490592959.db2.gz SQDHBRZIJQZJMJ-NSHDSACASA-N -1 3 355.398 0.998 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCc1ccc(NC(=O)c2ccncc2)cc1 ZINC000486178415 490596343 /nfs/dbraw/zinc/59/63/43/490596343.db2.gz LVJBUZDWYLEONV-AWEZNQCLSA-N -1 3 367.365 0.548 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)N2CCN(C(C)=O)C[C@@H]2C)ccc1F ZINC000486406466 490619049 /nfs/dbraw/zinc/61/90/49/490619049.db2.gz NQQIPYCZXVBNFI-JTQLQIEISA-N -1 3 372.422 0.818 10 0 FCAEHM COC(=O)[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000511816702 490631087 /nfs/dbraw/zinc/63/10/87/490631087.db2.gz JBDSXVBPIGDMMF-MRVPVSSYSA-N -1 3 366.848 0.701 10 0 FCAEHM Cc1nccc(NC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)c1Br ZINC000525847788 490641921 /nfs/dbraw/zinc/64/19/21/490641921.db2.gz NRQCRGABHAKILB-VIFPVBQESA-N -1 3 368.191 0.342 10 0 FCAEHM C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000525939963 490656429 /nfs/dbraw/zinc/65/64/29/490656429.db2.gz ULBAVPLJAHZNTL-BDAKNGLRSA-N -1 3 354.354 0.498 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1ccc(NC(=O)c2ccccc2)nc1 ZINC000550327167 490660820 /nfs/dbraw/zinc/66/08/20/490660820.db2.gz XOGZQRDXDBVNAS-LBPRGKRZSA-N -1 3 353.338 0.871 10 0 FCAEHM C[C@H]1CCCCCN1S(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000512154036 490662586 /nfs/dbraw/zinc/66/25/86/490662586.db2.gz LPZISTAMCWNXJX-JTQLQIEISA-N -1 3 352.416 0.987 10 0 FCAEHM CN1CCN(c2cccc(C(=O)N3CCc4nc[n-]c(=O)c4C3)n2)CC1 ZINC000526015611 490664929 /nfs/dbraw/zinc/66/49/29/490664929.db2.gz XCOSNVOKDPFELK-UHFFFAOYSA-N -1 3 354.414 0.528 10 0 FCAEHM C[C@@H](CNC(=O)CC[N-]S(=O)(=O)c1cccs1)N1CCCCC1=O ZINC000526014704 490665278 /nfs/dbraw/zinc/66/52/78/490665278.db2.gz WSXHDFBYHROCLL-LBPRGKRZSA-N -1 3 373.500 0.934 10 0 FCAEHM C[C@@H](NC(=O)NCc1nnc(C(F)(F)F)[n-]1)C1(S(C)(=O)=O)CC1 ZINC000502108352 490678161 /nfs/dbraw/zinc/67/81/61/490678161.db2.gz GJHZYKPNBXWCKT-ZCFIWIBFSA-N -1 3 355.342 0.588 10 0 FCAEHM C[C@@H](NC(=O)NCc1n[n-]c(C(F)(F)F)n1)C1(S(C)(=O)=O)CC1 ZINC000502108352 490678162 /nfs/dbraw/zinc/67/81/62/490678162.db2.gz GJHZYKPNBXWCKT-ZCFIWIBFSA-N -1 3 355.342 0.588 10 0 FCAEHM C[C@@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)C1(S(C)(=O)=O)CC1 ZINC000502108352 490678164 /nfs/dbraw/zinc/67/81/64/490678164.db2.gz GJHZYKPNBXWCKT-ZCFIWIBFSA-N -1 3 355.342 0.588 10 0 FCAEHM COCCCn1c(=O)[n-]nc1SC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000487176061 490699886 /nfs/dbraw/zinc/69/98/86/490699886.db2.gz KWPTVURKEQSCRQ-JTQLQIEISA-N -1 3 350.466 0.394 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)NC[C@]1(CCO)CCOC1 ZINC000572084459 491347931 /nfs/dbraw/zinc/34/79/31/491347931.db2.gz GKLBGZHUAOSONF-HNNXBMFYSA-N -1 3 360.407 0.009 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)Nc2cc(C3(C)CCCC3)on2)c1 ZINC000572084876 491347962 /nfs/dbraw/zinc/34/79/62/491347962.db2.gz DOHALJOMFCAXPE-UHFFFAOYSA-N -1 3 367.431 1.157 10 0 FCAEHM CCNC(=O)C1CN(C(=O)C(=O)[N-]c2scc(C)c2C(=O)OCC)C1 ZINC000538097230 490711056 /nfs/dbraw/zinc/71/10/56/490711056.db2.gz BHCLDIZARJXCDR-UHFFFAOYSA-N -1 3 367.427 0.766 10 0 FCAEHM Cn1cc(C[C@@H](O)C(=O)Nc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)cn1 ZINC000527293927 490715113 /nfs/dbraw/zinc/71/51/13/490715113.db2.gz TVQAVCYTKQHPME-CXAGYDPISA-N -1 3 357.370 0.017 10 0 FCAEHM CN(CC(=O)NC(C)(C)C)C(=O)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000514464181 490769808 /nfs/dbraw/zinc/76/98/08/490769808.db2.gz XXTMTADYWIDKEM-UHFFFAOYSA-N -1 3 372.425 0.631 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-][C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 ZINC000528286436 490785648 /nfs/dbraw/zinc/78/56/48/490785648.db2.gz NAPMXRDUVJOGLR-OLZOCXBDSA-N -1 3 351.421 0.620 10 0 FCAEHM CCOC(=O)[C@H](CCOC(C)(C)C)[N-]S(=O)(=O)N1CCOCC1 ZINC000539555681 490788897 /nfs/dbraw/zinc/78/88/97/490788897.db2.gz HOIKZUCAIWZEPP-LBPRGKRZSA-N -1 3 352.453 0.290 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCC(=O)N1CCOCC1 ZINC000539618726 490790807 /nfs/dbraw/zinc/79/08/07/490790807.db2.gz QMXCVEGPMSPMLQ-UHFFFAOYSA-N -1 3 359.386 0.140 10 0 FCAEHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-][C@H]1CNC(=O)C1 ZINC000528368987 490791529 /nfs/dbraw/zinc/79/15/29/490791529.db2.gz XMEFEDNFMKSXAO-SSDOTTSWSA-N -1 3 354.306 0.761 10 0 FCAEHM CCn1ncc(C[N-]S(=O)(=O)c2cc(CNC(C)=O)ccc2OC)n1 ZINC000528445215 490798281 /nfs/dbraw/zinc/79/82/81/490798281.db2.gz KBTVKKKFLQPNLC-UHFFFAOYSA-N -1 3 367.431 0.421 10 0 FCAEHM CCOC(=O)C1CCC(CC(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)CC1 ZINC000514938000 490798745 /nfs/dbraw/zinc/79/87/45/490798745.db2.gz DBGYUYUZLWARSO-KJBLDROHSA-N -1 3 365.430 0.947 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)NC[C@@H]3CC[C@H]4C[C@H]4C3)cnc21 ZINC000528454956 490798902 /nfs/dbraw/zinc/79/89/02/490798902.db2.gz ZSYHWQVLFGQEOX-OUAUKWLOSA-N -1 3 364.427 0.749 10 0 FCAEHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CCN2C2CCCC2)cn1 ZINC000528546179 490808030 /nfs/dbraw/zinc/80/80/30/490808030.db2.gz BFQAFXFEFMJUQR-CYBMUJFWSA-N -1 3 373.500 0.780 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1cccc(-c2cn3cccnc3n2)c1 ZINC000540210182 490809937 /nfs/dbraw/zinc/80/99/37/490809937.db2.gz MFQOBGXLUPDYHX-LBPRGKRZSA-N -1 3 350.338 0.933 10 0 FCAEHM CNS(=O)(=O)CCNC(=O)Cc1ccc(Br)cc1[O-] ZINC000504794355 490811422 /nfs/dbraw/zinc/81/14/22/490811422.db2.gz BELBCTUAVXTJFG-UHFFFAOYSA-N -1 3 351.222 0.363 10 0 FCAEHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CCn2nnc(CO)c2C1 ZINC000515389181 490823806 /nfs/dbraw/zinc/82/38/06/490823806.db2.gz QYSAFKXGEUWEFW-UHFFFAOYSA-N -1 3 361.308 0.546 10 0 FCAEHM COc1ccc2c(c1)[n-]cc(C(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1)c2=O ZINC000540473221 490824924 /nfs/dbraw/zinc/82/49/24/490824924.db2.gz XGSABTSHVKLSBT-MLGOLLRUSA-N -1 3 373.409 0.902 10 0 FCAEHM CC[C@H]1[C@@H](CO)CCN1C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000515481285 490828368 /nfs/dbraw/zinc/82/83/68/490828368.db2.gz BYZGCKORIOJUIL-NEPJUHHUSA-N -1 3 361.489 0.829 10 0 FCAEHM C[C@@H]1CN(CCNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CCO1 ZINC000540961517 490842428 /nfs/dbraw/zinc/84/24/28/490842428.db2.gz ZSIHEJKTOQIIJA-ZBFHGGJFSA-N -1 3 361.442 0.834 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@H](Cn1ccccc1=O)c1ccccc1 ZINC000506089342 490850526 /nfs/dbraw/zinc/85/05/26/490850526.db2.gz HVYQMNHYCZEOQT-UONOGXRCSA-N -1 3 354.366 0.304 10 0 FCAEHM CCN(Cc1cn(C)nn1)C(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000541976401 490881433 /nfs/dbraw/zinc/88/14/33/490881433.db2.gz WTBKGMCHZLBFJJ-UHFFFAOYSA-N -1 3 357.461 0.594 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@H]1CCCN(Cc2nccn2C)C1=O ZINC000542122589 490886861 /nfs/dbraw/zinc/88/68/61/490886861.db2.gz JACZMJNWKKOCSQ-LBPRGKRZSA-N -1 3 367.431 0.494 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)N1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000530069488 490887070 /nfs/dbraw/zinc/88/70/70/490887070.db2.gz HKLJVHQVACFFTA-WCBZVUCDSA-N -1 3 374.459 0.616 10 0 FCAEHM NS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000517085587 490894638 /nfs/dbraw/zinc/89/46/38/490894638.db2.gz ZVXXNRCCASSVHR-UHFFFAOYSA-N -1 3 359.363 0.148 10 0 FCAEHM Cc1cncn1C1CCN(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)CC1 ZINC000530297594 490898132 /nfs/dbraw/zinc/89/81/32/490898132.db2.gz IZAQMPNDLXDZRZ-UHFFFAOYSA-N -1 3 366.447 0.067 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC[C@H](O)C(F)(F)F)s1 ZINC000542703231 490904920 /nfs/dbraw/zinc/90/49/20/490904920.db2.gz JBUUDLHGMAGZLE-VIFPVBQESA-N -1 3 360.379 0.976 10 0 FCAEHM CCCN(CCC)S(=O)(=O)[N-]c1cnn(CC(=O)N2CCOCC2)c1 ZINC000530868423 490928658 /nfs/dbraw/zinc/92/86/58/490928658.db2.gz ORTFSGVQNYGRAW-UHFFFAOYSA-N -1 3 373.479 0.521 10 0 FCAEHM Cn1ccnc1CN1CCC[C@@H]([N-]S(=O)(=O)C[C@@H]2CCCCO2)C1=O ZINC000543978893 490953755 /nfs/dbraw/zinc/95/37/55/490953755.db2.gz DMFPLVSLKZHDPM-UONOGXRCSA-N -1 3 370.475 0.400 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)NCc2ccc3ccccc3n2)c1 ZINC000532042802 490983904 /nfs/dbraw/zinc/98/39/04/490983904.db2.gz DDRDEPLXUHRDON-UHFFFAOYSA-N -1 3 359.411 0.563 10 0 FCAEHM NC(=O)[C@@H]1CCC[C@@H](NC(=O)CC[N-]S(=O)(=O)c2cccs2)C1 ZINC000532525179 490993618 /nfs/dbraw/zinc/99/36/18/490993618.db2.gz HYHHWTBVFPXZEB-GHMZBOCLSA-N -1 3 359.473 0.577 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)s1 ZINC000532591799 490994715 /nfs/dbraw/zinc/99/47/15/490994715.db2.gz LHDDNATVCOXHJI-NXEZZACHSA-N -1 3 374.488 0.500 10 0 FCAEHM COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@@H](CF)C(=O)OC ZINC000553910866 491163626 /nfs/dbraw/zinc/16/36/26/491163626.db2.gz JFEGXJUUNBODTP-JTQLQIEISA-N -1 3 353.343 0.640 10 0 FCAEHM Cc1cc([N-]C(=O)[C@H](C)N2CCCN(S(=O)(=O)C3CC3)CC2)on1 ZINC000569568865 491168923 /nfs/dbraw/zinc/16/89/23/491168923.db2.gz WJCVYDXHTWCYPT-LBPRGKRZSA-N -1 3 356.448 0.810 10 0 FCAEHM Cn1cc(C[N-]S(=O)(=O)c2cnn3c2OCCC3)c(C(F)(F)F)n1 ZINC000562780359 491188986 /nfs/dbraw/zinc/18/89/86/491188986.db2.gz OQQCIFOUTGMPEA-UHFFFAOYSA-N -1 3 365.337 0.896 10 0 FCAEHM NC(=O)CC(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000557485011 491376912 /nfs/dbraw/zinc/37/69/12/491376912.db2.gz AQZCLNZNGHRFSI-UHFFFAOYSA-N -1 3 354.215 0.263 10 0 FCAEHM O=C(CNS(=O)(=O)c1ccccc1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000557539071 491381195 /nfs/dbraw/zinc/38/11/95/491381195.db2.gz ZWMDTNQAIUTZGM-UHFFFAOYSA-N -1 3 372.410 0.461 10 0 FCAEHM O=C(CNS(=O)(=O)c1ccccc1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000557539071 491381196 /nfs/dbraw/zinc/38/11/96/491381196.db2.gz ZWMDTNQAIUTZGM-UHFFFAOYSA-N -1 3 372.410 0.461 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)NC[C@H](CO)c1cccnc1 ZINC000572689121 491386724 /nfs/dbraw/zinc/38/67/24/491386724.db2.gz ODNGAGAKYAFUQX-GFCCVEGCSA-N -1 3 355.441 0.314 10 0 FCAEHM CCN1CN(C(=O)c2cc(C3CC3)nc3c2c(=O)[n-]c(=O)n3C)CC1=O ZINC000565633534 491390042 /nfs/dbraw/zinc/39/00/42/491390042.db2.gz CFGHSUAUQTYHPT-UHFFFAOYSA-N -1 3 357.370 0.173 10 0 FCAEHM COC(=O)c1cc(NC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)cc2[nH]ccc21 ZINC000565917739 491407375 /nfs/dbraw/zinc/40/73/75/491407375.db2.gz ROFZBNLUAZQHST-CYBMUJFWSA-N -1 3 371.353 0.722 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H](CO)[C@@H]1CCCOC1 ZINC000573022095 491408117 /nfs/dbraw/zinc/40/81/17/491408117.db2.gz SREFCTTUNIMWQR-VXGBXAGGSA-N -1 3 363.457 0.156 10 0 FCAEHM COCCOc1ccc(C[N-]S(=O)(=O)c2cc(C)cnc2N)nn1 ZINC000573267439 491423683 /nfs/dbraw/zinc/42/36/83/491423683.db2.gz HZXHKXQAEMRKJQ-UHFFFAOYSA-N -1 3 353.404 0.266 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)Nc1cc(C(F)(F)F)n[nH]1 ZINC000558546326 491435467 /nfs/dbraw/zinc/43/54/67/491435467.db2.gz NGKGEHSAQLANON-UHFFFAOYSA-N -1 3 367.309 0.950 10 0 FCAEHM CCc1cccc(C(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)c1[O-] ZINC000558636658 491439063 /nfs/dbraw/zinc/43/90/63/491439063.db2.gz LYFSZHBSBPRZHV-UHFFFAOYSA-N -1 3 355.460 0.909 10 0 FCAEHM C[C@H]1CN(C(=O)c2cc(=O)[n-]c(N(C)C)n2)CC[C@@H]1N1CCN(C)CC1 ZINC000558985018 491450386 /nfs/dbraw/zinc/45/03/86/491450386.db2.gz MRVHECYMUJFOOB-ZFWWWQNUSA-N -1 3 362.478 0.346 10 0 FCAEHM O=C(NCCCc1cc(=O)[nH][n-]1)c1cnn2cc(Br)cnc12 ZINC000673545298 493343713 /nfs/dbraw/zinc/34/37/13/493343713.db2.gz UFHDWQKZPLXOFY-UHFFFAOYSA-N -1 3 365.191 0.878 10 0 FCAEHM Cc1cccc([C@H](CC(=O)N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)NC(N)=O)c1 ZINC000573731449 491451832 /nfs/dbraw/zinc/45/18/32/491451832.db2.gz FOVOJEWDLPJASP-UONOGXRCSA-N -1 3 371.445 0.999 10 0 FCAEHM O=C(Nc1ccc2c(c1)CCCC2)C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000574013041 491468833 /nfs/dbraw/zinc/46/88/33/491468833.db2.gz RDHGWLFNPIPUKY-CQSZACIVSA-N -1 3 356.382 0.267 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]CCc2nnc3n2CCC3)s1 ZINC000559721916 491493774 /nfs/dbraw/zinc/49/37/74/491493774.db2.gz MIFWVVQXFPIJPO-UHFFFAOYSA-N -1 3 356.429 0.593 10 0 FCAEHM O=C(NC[C@@H]1CCCS1(=O)=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000567639549 491520091 /nfs/dbraw/zinc/52/00/91/491520091.db2.gz BQRDEJWDWPVUPZ-JSGCOSHPSA-N -1 3 366.439 0.690 10 0 FCAEHM O=c1[n-]c(=O)n(CCOC[C@H]2CCCO2)cc1I ZINC000567753619 491527381 /nfs/dbraw/zinc/52/73/81/491527381.db2.gz AZJLUADUGALOSO-MRVPVSSYSA-N -1 3 366.155 0.749 10 0 FCAEHM C[C@@H]1CCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)C[C@@H]1C(=O)[O-] ZINC000574916718 491527491 /nfs/dbraw/zinc/52/74/91/491527491.db2.gz CUSVZHWVQRZFOX-WQGACYEGSA-N -1 3 357.476 0.109 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]c1cccc(C(=O)N(C)CC(N)=O)c1)C1CC1 ZINC000567869721 491536415 /nfs/dbraw/zinc/53/64/15/491536415.db2.gz GPDZCVLDEYAOPL-CQSZACIVSA-N -1 3 369.443 0.411 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)c2cncc(N3CCOCC3)c2)nc1=N ZINC000568048460 491550493 /nfs/dbraw/zinc/55/04/93/491550493.db2.gz OVCYVPUCQUYFCR-AWEZNQCLSA-N -1 3 357.418 0.437 10 0 FCAEHM CN(C)c1nc(C(=O)N2CCN(C(=O)N3CCCCC3)CC2)cc(=O)[n-]1 ZINC000683400532 493350757 /nfs/dbraw/zinc/35/07/57/493350757.db2.gz BBYISPSACNQOGD-UHFFFAOYSA-N -1 3 362.434 0.612 10 0 FCAEHM COC(=O)c1cc(F)c(C)c(S(=O)(=O)[N-][C@H](CF)C(=O)OC)c1 ZINC000568309294 491568990 /nfs/dbraw/zinc/56/89/90/491568990.db2.gz SDNRAJUFDVHCKQ-SNVBAGLBSA-N -1 3 351.327 0.710 10 0 FCAEHM C[C@@H](CCNC(=O)C[N-]S(=O)(=O)c1ccccc1F)[S@](C)=O ZINC000568337363 491570256 /nfs/dbraw/zinc/57/02/56/491570256.db2.gz GPUCMSNSHSWCPH-CWKPULSASA-N -1 3 350.437 0.377 10 0 FCAEHM COC(=O)c1ncsc1S(=O)(=O)[N-]CCCNCc1cccnc1 ZINC000568396753 491574386 /nfs/dbraw/zinc/57/43/86/491574386.db2.gz VLSAAEHLANFHBB-UHFFFAOYSA-N -1 3 370.456 0.783 10 0 FCAEHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]C[C@H]3CCCCN3CCO)cn21 ZINC000561104339 491575015 /nfs/dbraw/zinc/57/50/15/491575015.db2.gz OHMIVVFWEGCTTG-ZIAGYGMSSA-N -1 3 356.492 0.906 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@]3(CCSC3)C2)cn1 ZINC000568516188 491582431 /nfs/dbraw/zinc/58/24/31/491582431.db2.gz RWQCSFVVPZHBNB-CQSZACIVSA-N -1 3 357.457 0.338 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)c2cc3c(cn2)OCCO3)s1 ZINC000576149466 491586365 /nfs/dbraw/zinc/58/63/65/491586365.db2.gz YGCAHRWOXLXSIP-UHFFFAOYSA-N -1 3 369.424 0.752 10 0 FCAEHM CC[C@H]([N-]S(=O)(=O)Cc1ccc(C(=O)NC)cc1)[C@@H](O)C(F)F ZINC000577192045 491600741 /nfs/dbraw/zinc/60/07/41/491600741.db2.gz GRMGXBOFFNGVFA-NWDGAFQWSA-N -1 3 350.387 0.870 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)c2cc(N3CCOCC3)ccn2)nc1=N ZINC000561679711 491624680 /nfs/dbraw/zinc/62/46/80/491624680.db2.gz MZNSYQVJPZJUCZ-AWEZNQCLSA-N -1 3 357.418 0.437 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)c2nc(C)c(C)[nH]c2=O)ccc1F ZINC000569149767 491638131 /nfs/dbraw/zinc/63/81/31/491638131.db2.gz GYZWLNQWHJIDIO-UHFFFAOYSA-N -1 3 354.363 0.686 10 0 FCAEHM CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000579122408 491691448 /nfs/dbraw/zinc/69/14/48/491691448.db2.gz CUUSMJBXLLFMAL-KBXIAJHMSA-N -1 3 351.447 0.641 10 0 FCAEHM O=S(=O)(C[C@H]1CCCC1(F)F)[N-]CC1(OCCO)CCOCC1 ZINC000579375549 491696845 /nfs/dbraw/zinc/69/68/45/491696845.db2.gz LRPXXJLJEWGSAF-GFCCVEGCSA-N -1 3 357.419 0.899 10 0 FCAEHM O=S(=O)([N-][C@@H]1CCc2nnnn2CC1)c1cccnc1C(F)(F)F ZINC000584773501 491713512 /nfs/dbraw/zinc/71/35/12/491713512.db2.gz FGJCEIFKAUDCJH-MRVPVSSYSA-N -1 3 362.337 0.770 10 0 FCAEHM C[C@@]1(c2ccc(CNC(=O)c3cn(CC4CC4)nn3)cc2)NC(=O)[N-]C1=O ZINC000580516134 491734399 /nfs/dbraw/zinc/73/43/99/491734399.db2.gz IMNKHEMBSYBMCV-SFHVURJKSA-N -1 3 368.397 0.673 10 0 FCAEHM Cc1cn2cc(NC(=O)C[N-]S(=O)(=O)c3cn(C)c(C)n3)ccc2n1 ZINC000588857594 491750330 /nfs/dbraw/zinc/75/03/30/491750330.db2.gz DXVJOQVFMXVILD-UHFFFAOYSA-N -1 3 362.415 0.602 10 0 FCAEHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC(C)(C(N)=O)C2)c1 ZINC000581252611 491765975 /nfs/dbraw/zinc/76/59/75/491765975.db2.gz ILLSVXOTJPJESS-UHFFFAOYSA-N -1 3 358.354 0.888 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)NCCOC(C)(C)C)cnc21 ZINC000590793840 491786842 /nfs/dbraw/zinc/78/68/42/491786842.db2.gz UWYBUWKSDMJTCE-UHFFFAOYSA-N -1 3 356.404 0.128 10 0 FCAEHM Cc1cc(CS(=O)(=O)[N-]C[C@H]2CS(=O)(=O)c3ccccc3O2)on1 ZINC000582060071 491796164 /nfs/dbraw/zinc/79/61/64/491796164.db2.gz SATRGTYSWKJHKA-LBPRGKRZSA-N -1 3 372.424 0.637 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NCc1cn[nH]n1 ZINC000685770806 493513565 /nfs/dbraw/zinc/51/35/65/493513565.db2.gz YLFOMYCGZSIWBI-UHFFFAOYSA-N -1 3 364.214 0.706 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)[C@@H](C)CN1CCO ZINC000582475122 491813861 /nfs/dbraw/zinc/81/38/61/491813861.db2.gz GQTZIYMHEHGASP-NQCMUKECSA-N -1 3 374.441 0.268 10 0 FCAEHM CC[C@@H]1C[C@@H](NS(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)CCO1 ZINC000582838861 491828756 /nfs/dbraw/zinc/82/87/56/491828756.db2.gz UERNAYXRZLVCQU-VHSXEESVSA-N -1 3 368.415 0.270 10 0 FCAEHM COC(=O)[C@@H](CC1CC1)[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000592057407 491830011 /nfs/dbraw/zinc/83/00/11/491830011.db2.gz MCIKOLRRWZFWRC-LLVKDONJSA-N -1 3 358.416 0.910 10 0 FCAEHM COC(=O)[C@H](CC(C)(C)C)[N-]S(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000592075640 491830527 /nfs/dbraw/zinc/83/05/27/491830527.db2.gz NTDODHOVCIJRRL-NSHDSACASA-N -1 3 355.478 0.461 10 0 FCAEHM Cn1cc(N2CC[C@H]([N-]S(=O)(=O)CC3Cc4ccccc4C3)C2=O)cn1 ZINC000583076540 491837542 /nfs/dbraw/zinc/83/75/42/491837542.db2.gz HLVBNHNQYUCFSZ-KRWDZBQOSA-N -1 3 374.466 0.860 10 0 FCAEHM CC(C)(C)c1cc(CS(=O)(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)no1 ZINC000583684287 491849909 /nfs/dbraw/zinc/84/99/09/491849909.db2.gz RIJSUTMEEBALTF-OAHLLOKOSA-N -1 3 370.431 0.476 10 0 FCAEHM Cn1ccc([C@H]2NC(=O)N(CC[N-]S(=O)(=O)c3cccs3)C2=O)n1 ZINC000584150286 491859603 /nfs/dbraw/zinc/85/96/03/491859603.db2.gz GZIPGEULLDEMEY-LLVKDONJSA-N -1 3 369.428 0.053 10 0 FCAEHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000594849239 491866568 /nfs/dbraw/zinc/86/65/68/491866568.db2.gz MJHOKFHFINIQFF-IUCAKERBSA-N -1 3 367.470 0.779 10 0 FCAEHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000594849238 491866679 /nfs/dbraw/zinc/86/66/79/491866679.db2.gz MJHOKFHFINIQFF-DTWKUNHWSA-N -1 3 367.470 0.779 10 0 FCAEHM COC(=O)c1nscc1S(=O)(=O)[N-][C@@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000594851040 491866933 /nfs/dbraw/zinc/86/69/33/491866933.db2.gz ZCUXQALVJHFMKF-JGVFFNPUSA-N -1 3 368.458 0.174 10 0 FCAEHM COC(=O)C[C@@H](C[N-]S(=O)(=O)c1cccnc1C(=O)OC)C1CC1 ZINC000594863110 491867566 /nfs/dbraw/zinc/86/75/66/491867566.db2.gz NPEUIDCGVONCOU-NSHDSACASA-N -1 3 356.400 0.736 10 0 FCAEHM COC(=O)[C@@](C)(CCF)[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000594862557 491867631 /nfs/dbraw/zinc/86/76/31/491867631.db2.gz MLJCJQFNEWLNGS-CYBMUJFWSA-N -1 3 366.436 0.954 10 0 FCAEHM COC(=O)CSCC[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000601338412 491905529 /nfs/dbraw/zinc/90/55/29/491905529.db2.gz UJOYCJYKOINADJ-UHFFFAOYSA-N -1 3 361.367 0.623 10 0 FCAEHM CCOC(=O)c1nnc([N-]C(=O)c2ccnc(N3CCOCC3)n2)s1 ZINC000600818402 491884930 /nfs/dbraw/zinc/88/49/30/491884930.db2.gz DKZMZQMXSUGTOF-UHFFFAOYSA-N -1 3 364.387 0.594 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-][C@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000601376820 491910399 /nfs/dbraw/zinc/91/03/99/491910399.db2.gz SYZWGQBTXUKUFF-VIFPVBQESA-N -1 3 372.365 0.412 10 0 FCAEHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2ccnc3c2CC(=O)N3)CC1 ZINC000612378551 491913271 /nfs/dbraw/zinc/91/32/71/491913271.db2.gz YILGSEYRZQMDNH-UHFFFAOYSA-N -1 3 366.377 0.880 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-][C@@H](CCSC)C(=O)N(C)C)CC1 ZINC000601417666 491916255 /nfs/dbraw/zinc/91/62/55/491916255.db2.gz ZKNLIFJJMZVANG-JTQLQIEISA-N -1 3 352.478 0.069 10 0 FCAEHM CN(C)C1(CS(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)c2ccnn2C)CC1 ZINC000601452255 491921353 /nfs/dbraw/zinc/92/13/53/491921353.db2.gz HBHLVBRDNUFBNR-ZDUSSCGKSA-N -1 3 372.491 0.817 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](N3CCC3)[C@@H](F)C2)cn1 ZINC000614091887 492014557 /nfs/dbraw/zinc/01/45/57/492014557.db2.gz HGCREXYSQQRWFJ-QWHCGFSZSA-N -1 3 356.423 0.248 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3nn(C)cc3C)CC2)n[n-]1 ZINC000597137335 492017681 /nfs/dbraw/zinc/01/76/81/492017681.db2.gz QVJAHZHOCIYYGM-UHFFFAOYSA-N -1 3 361.406 1.435 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3nn(C)cc3C)CC2)[n-]1 ZINC000597137335 492017683 /nfs/dbraw/zinc/01/76/83/492017683.db2.gz QVJAHZHOCIYYGM-UHFFFAOYSA-N -1 3 361.406 1.435 10 0 FCAEHM Cn1ccc(Nc2ccc(C(=O)N3CCC[C@]4(C3)NC(=O)[N-]C4=O)cc2)n1 ZINC000614199329 492019247 /nfs/dbraw/zinc/01/92/47/492019247.db2.gz RVHHDBBVAPBNLA-GOSISDBHSA-N -1 3 368.397 0.978 10 0 FCAEHM COC(=O)Cc1n[n-]c(NC(=O)CN2CC[C@@H](c3ccccc3)NC2=O)n1 ZINC000597270005 492026543 /nfs/dbraw/zinc/02/65/43/492026543.db2.gz XZLGYDFUIXFBBS-LBPRGKRZSA-N -1 3 372.385 0.615 10 0 FCAEHM COC(=O)Cc1nnc(NC(=O)CN2CC[C@@H](c3ccccc3)NC2=O)[n-]1 ZINC000597270005 492026545 /nfs/dbraw/zinc/02/65/45/492026545.db2.gz XZLGYDFUIXFBBS-LBPRGKRZSA-N -1 3 372.385 0.615 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)CN2CC[C@@H](c3ccccc3)NC2=O)n[n-]1 ZINC000597270005 492026547 /nfs/dbraw/zinc/02/65/47/492026547.db2.gz XZLGYDFUIXFBBS-LBPRGKRZSA-N -1 3 372.385 0.615 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)NC[C@@H]2C[C@H]2c2cccnc2)cn1C ZINC000614425433 492029450 /nfs/dbraw/zinc/02/94/50/492029450.db2.gz XKIJVJADOLUGQZ-KBPBESRZSA-N -1 3 363.443 0.322 10 0 FCAEHM COC(=O)c1cccc2nc(NC(=O)[C@@H]3CCN=C4C3=NNN4C)[n-]c21 ZINC000597418501 492037300 /nfs/dbraw/zinc/03/73/00/492037300.db2.gz QUPYBCNZMWPDSW-MRVPVSSYSA-N -1 3 355.358 0.512 10 0 FCAEHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H]3CCN=C4C3=NNN4C)nc21 ZINC000597418501 492037303 /nfs/dbraw/zinc/03/73/03/492037303.db2.gz QUPYBCNZMWPDSW-MRVPVSSYSA-N -1 3 355.358 0.512 10 0 FCAEHM CC(C)(C)OC(=O)[C@@H](C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O)C1CC1 ZINC000597579129 492048601 /nfs/dbraw/zinc/04/86/01/492048601.db2.gz CBEWRGUXOYZJDQ-PIGZYNQJSA-N -1 3 351.403 0.555 10 0 FCAEHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)[C@@H](O)C1CCOCC1 ZINC000614823329 492057602 /nfs/dbraw/zinc/05/76/02/492057602.db2.gz PXEXXMNEBFYHCP-SUNKGSAMSA-N -1 3 351.403 0.654 10 0 FCAEHM C[C@@]1(c2cccc(C(=O)N3CC(CN4CCOCC4)C3)c2)NC(=O)[N-]C1=O ZINC000615145403 492076136 /nfs/dbraw/zinc/07/61/36/492076136.db2.gz WRIMTUXSLWCZNO-IBGZPJMESA-N -1 3 372.425 0.145 10 0 FCAEHM CC(C)(C)OC(=O)C(C)(C)n1cc(NC(=O)CN2CC(=O)[N-]C2=O)cn1 ZINC000598121266 492084529 /nfs/dbraw/zinc/08/45/29/492084529.db2.gz QMTVWXNMNMTIGO-UHFFFAOYSA-N -1 3 365.390 0.450 10 0 FCAEHM COC(=O)[C@@H]1CCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2N)[C@H]2CCCC[C@@H]12 ZINC000598166907 492086893 /nfs/dbraw/zinc/08/68/93/492086893.db2.gz IZZUZICXHAXILN-AEJSXWLSSA-N -1 3 350.375 0.664 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@](C)(CCF)C(=O)OC)c(C)o1 ZINC000598286473 492092962 /nfs/dbraw/zinc/09/29/62/492092962.db2.gz SUFMZHOYDRQEGE-CYBMUJFWSA-N -1 3 350.368 0.517 10 0 FCAEHM COC(=O)[C@@](C)(CCF)NC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000598284820 492093045 /nfs/dbraw/zinc/09/30/45/492093045.db2.gz JVIXEGOSEGMNHX-SJORKVTESA-N -1 3 365.361 0.762 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1nc(C(N)=O)cs1 ZINC000605443458 492096280 /nfs/dbraw/zinc/09/62/80/492096280.db2.gz INGQMXNPYVVUDF-ZETCQYMHSA-N -1 3 372.403 0.687 10 0 FCAEHM Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)CN2CC(=O)[N-]C2=O)c1C ZINC000605499332 492096658 /nfs/dbraw/zinc/09/66/58/492096658.db2.gz OPXDXPJHWSNJPQ-UHFFFAOYSA-N -1 3 368.415 0.044 10 0 FCAEHM COC(=O)[C@H]1C[C@@H](N(C)C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000598432882 492098208 /nfs/dbraw/zinc/09/82/08/492098208.db2.gz GNHQKZCTHGFUCK-SDDRHHMPSA-N -1 3 372.418 0.903 10 0 FCAEHM CCCCS(=O)(=O)[N-]CC(=O)Nc1ccn(CC(=O)OC(C)(C)C)n1 ZINC000598542506 492104196 /nfs/dbraw/zinc/10/41/96/492104196.db2.gz DQVIJRCUBAPRRS-UHFFFAOYSA-N -1 3 374.463 0.883 10 0 FCAEHM COC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1Cc1cc(=O)n2nc(N)[n-]c2n1 ZINC000598597029 492107082 /nfs/dbraw/zinc/10/70/82/492107082.db2.gz VQYNPACKALWSMO-OCCSQVGLSA-N -1 3 374.445 0.774 10 0 FCAEHM CCOC(=O)c1nc(CNC(=O)[C@H](C(C)C)N2C[C@H](C)O[C@@H](C)C2)n[n-]1 ZINC000615919250 492107398 /nfs/dbraw/zinc/10/73/98/492107398.db2.gz CBAOKJUDJBRTBV-OBJOEFQTSA-N -1 3 367.450 0.731 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)[C@H](C(C)C)N2C[C@H](C)O[C@@H](C)C2)[n-]1 ZINC000615919250 492107399 /nfs/dbraw/zinc/10/73/99/492107399.db2.gz CBAOKJUDJBRTBV-OBJOEFQTSA-N -1 3 367.450 0.731 10 0 FCAEHM CCOC(=O)c1n[n-]c(CNC(=O)[C@H](C(C)C)N2C[C@H](C)O[C@@H](C)C2)n1 ZINC000615919250 492107400 /nfs/dbraw/zinc/10/74/00/492107400.db2.gz CBAOKJUDJBRTBV-OBJOEFQTSA-N -1 3 367.450 0.731 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)[n-]1 ZINC000615916591 492107408 /nfs/dbraw/zinc/10/74/08/492107408.db2.gz FOCVIFHNPPWMSX-ZDUSSCGKSA-N -1 3 371.397 0.646 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)c2ccc(S(C)(=O)=O)cc2)[n-]1 ZINC000615920422 492107651 /nfs/dbraw/zinc/10/76/51/492107651.db2.gz SYGHKWMLHMXYIN-UHFFFAOYSA-N -1 3 352.372 0.315 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)CCS(=O)(=O)C2CCCC2)[n-]1 ZINC000615920159 492108036 /nfs/dbraw/zinc/10/80/36/492108036.db2.gz NIZCQOIVSNKAMX-UHFFFAOYSA-N -1 3 358.420 0.345 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)Nc1n[nH]c(C)c1Br ZINC000616006517 492114589 /nfs/dbraw/zinc/11/45/89/492114589.db2.gz KDZSOKRCCNCTLT-UHFFFAOYSA-N -1 3 369.241 0.375 10 0 FCAEHM CN(CC1CC1)S(=O)(=O)[N-]c1cnn(CC(=O)NC2CCCC2)c1 ZINC000606342761 492120794 /nfs/dbraw/zinc/12/07/94/492120794.db2.gz HKWGCIXXFUGRSN-UHFFFAOYSA-N -1 3 355.464 0.940 10 0 FCAEHM O=S1(=O)[N-]C(CN2CCN(C[C@H]3CCCO3)CC2)=Nc2ccccc21 ZINC000606430579 492122288 /nfs/dbraw/zinc/12/22/88/492122288.db2.gz GTUUPLYRKBIQDK-CQSZACIVSA-N -1 3 364.471 0.805 10 0 FCAEHM CN1C[C@@H](NC(=O)NCc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)CCC1=O ZINC000606666275 492126365 /nfs/dbraw/zinc/12/63/65/492126365.db2.gz MVBYTTMGHDIXHF-SCLBCKFNSA-N -1 3 373.413 0.161 10 0 FCAEHM C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000616477934 492133450 /nfs/dbraw/zinc/13/34/50/492133450.db2.gz HEBQJLQSWFSIRM-LLVKDONJSA-N -1 3 359.386 0.222 10 0 FCAEHM CS(=O)(=O)CCCS(=O)(=O)[N-][C@H]1CCN(c2ccccc2)C1=O ZINC000607159353 492139932 /nfs/dbraw/zinc/13/99/32/492139932.db2.gz RXOOKPNKCHWPQD-ZDUSSCGKSA-N -1 3 360.457 0.146 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H](C)C(=O)NC(C)(C)C)on1 ZINC000599223638 492144914 /nfs/dbraw/zinc/14/49/14/492144914.db2.gz PQKZBLJXORVWOB-VIFPVBQESA-N -1 3 361.420 0.574 10 0 FCAEHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(C)c(F)c1F)C(=O)OC ZINC000599223847 492145234 /nfs/dbraw/zinc/14/52/34/492145234.db2.gz XFVBMIWDIMTBOH-MRVPVSSYSA-N -1 3 351.327 0.656 10 0 FCAEHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(C)c(F)c1F)C(=O)OC ZINC000599223856 492145243 /nfs/dbraw/zinc/14/52/43/492145243.db2.gz XFVBMIWDIMTBOH-QMMMGPOBSA-N -1 3 351.327 0.656 10 0 FCAEHM CCn1cnnc1CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000599241877 492147689 /nfs/dbraw/zinc/14/76/89/492147689.db2.gz IMAPSLOBTLZLGL-NSHDSACASA-N -1 3 369.422 0.463 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H]2CC(=O)N(C3CC3)C2)on1 ZINC000599250706 492148993 /nfs/dbraw/zinc/14/89/93/492148993.db2.gz RFNCCTKMVJGBLN-SECBINFHSA-N -1 3 357.388 0.034 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)on1 ZINC000599254490 492149374 /nfs/dbraw/zinc/14/93/74/492149374.db2.gz SPXHPBSFJDBAKC-GIPNMCIBSA-N -1 3 371.415 0.280 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H]2C[C@H](C)N(C3CC3)C2)on1 ZINC000599258499 492150324 /nfs/dbraw/zinc/15/03/24/492150324.db2.gz HDLCBJUAJNOBSA-WDEREUQCSA-N -1 3 357.432 0.896 10 0 FCAEHM COc1ccc(NC(=O)CC[N-]S(=O)(=O)c2cn(C)c(C)n2)nc1 ZINC000607942130 492154150 /nfs/dbraw/zinc/15/41/50/492154150.db2.gz UMPPOXIKZPQJBI-UHFFFAOYSA-N -1 3 353.404 0.439 10 0 FCAEHM COC(=O)[C@H](CO)[N-]S(=O)(=O)c1c(OC)cccc1OC(F)(F)F ZINC000599283302 492154271 /nfs/dbraw/zinc/15/42/71/492154271.db2.gz UTAKEXRRTOIWBP-ZETCQYMHSA-N -1 3 373.305 0.406 10 0 FCAEHM CCO[C@H](CS(=O)(=O)[N-]C[C@](C)(O)C(=O)OC(C)(C)C)C1CC1 ZINC000599282293 492154347 /nfs/dbraw/zinc/15/43/47/492154347.db2.gz ZNRXDFHAJSRQEB-DOMZBBRYSA-N -1 3 351.465 0.814 10 0 FCAEHM CO[C@H](CNC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1)[C@@H]1CCOC1 ZINC000617148489 492156927 /nfs/dbraw/zinc/15/69/27/492156927.db2.gz RVFFUETVPDVMDA-IJLUTSLNSA-N -1 3 362.473 0.583 10 0 FCAEHM CO[C@H](CNC(=O)C[N-]S(=O)(=O)c1ccccc1F)[C@H]1CCOC1 ZINC000617153031 492157567 /nfs/dbraw/zinc/15/75/67/492157567.db2.gz OZNPRDFXYXQROI-WCQYABFASA-N -1 3 360.407 0.272 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@H](CC)[C@@H](O)C(F)F)on1 ZINC000599319498 492159595 /nfs/dbraw/zinc/15/95/95/492159595.db2.gz FSUPITMPWDNKKY-PSASIEDQSA-N -1 3 356.347 0.675 10 0 FCAEHM COC(=O)c1cnc(CN2CCN(C(=O)c3cccc([O-])c3)CC2)cn1 ZINC000599329788 492161005 /nfs/dbraw/zinc/16/10/05/492161005.db2.gz RGPWXKUBMVYYCZ-UHFFFAOYSA-N -1 3 356.382 0.927 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)N1CC[C@@H](Cn2ccnn2)C1 ZINC000617266890 492162518 /nfs/dbraw/zinc/16/25/18/492162518.db2.gz BBDQXAXKRWCMGH-GFCCVEGCSA-N -1 3 367.406 0.244 10 0 FCAEHM O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000599356457 492164083 /nfs/dbraw/zinc/16/40/83/492164083.db2.gz SSVVKDSUAALCDW-OKILXGFUSA-N -1 3 368.397 0.658 10 0 FCAEHM O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000599356457 492164084 /nfs/dbraw/zinc/16/40/84/492164084.db2.gz SSVVKDSUAALCDW-OKILXGFUSA-N -1 3 368.397 0.658 10 0 FCAEHM COC[C@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)C1CCOCC1 ZINC000617375583 492166054 /nfs/dbraw/zinc/16/60/54/492166054.db2.gz ZFOQVFPSVFZZSO-LBPRGKRZSA-N -1 3 362.473 0.584 10 0 FCAEHM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@H]1CCCN(C)C1 ZINC000617413350 492166890 /nfs/dbraw/zinc/16/68/90/492166890.db2.gz JIBPSXKNHHRJGX-AWEZNQCLSA-N -1 3 363.462 0.470 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](O)[C@@H]2CCCO2)c(Cl)c1 ZINC000599392494 492167492 /nfs/dbraw/zinc/16/74/92/492167492.db2.gz UOHRSYBIROBIIU-RYUDHWBXSA-N -1 3 363.819 0.945 10 0 FCAEHM C[C@@H]1C[C@H]1N1C[C@H](NC(=O)CC[N-]S(=O)(=O)c2cccs2)CC1=O ZINC000608219912 492168654 /nfs/dbraw/zinc/16/86/54/492168654.db2.gz YNMPOVPYGILPNB-IJLUTSLNSA-N -1 3 371.484 0.542 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-][C@@H](Cc2cccc(OC)c2)C(=O)OC)c1 ZINC000599403424 492168743 /nfs/dbraw/zinc/16/87/43/492168743.db2.gz DEUHCSBHNUPZMQ-AWEZNQCLSA-N -1 3 367.427 0.974 10 0 FCAEHM COC(=O)[C@@H](C[C@H]1CCCOC1)[N-]S(=O)(=O)C[C@@H](C)C(=O)OC ZINC000599458941 492175884 /nfs/dbraw/zinc/17/58/84/492175884.db2.gz AGKKGLMHXYLJOV-IJLUTSLNSA-N -1 3 351.421 0.073 10 0 FCAEHM COC(=O)[C@@H](C[C@@H]1CCCOC1)[N-]S(=O)(=O)C[C@@H](C)C(=O)OC ZINC000599458940 492175970 /nfs/dbraw/zinc/17/59/70/492175970.db2.gz AGKKGLMHXYLJOV-GRYCIOLGSA-N -1 3 351.421 0.073 10 0 FCAEHM COC(=O)CCNC(=O)CC[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000599476506 492178046 /nfs/dbraw/zinc/17/80/46/492178046.db2.gz XQSBQPIGZXAXHH-UHFFFAOYSA-N -1 3 364.370 0.621 10 0 FCAEHM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-][C@@H]1CCO[C@@H]1c1nc(C)no1 ZINC000599518756 492183118 /nfs/dbraw/zinc/18/31/18/492183118.db2.gz LCXLZPITCVBDIG-WOPDTQHZSA-N -1 3 374.419 0.070 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CC[C@@H](O)C(F)(F)C1 ZINC000617815278 492193626 /nfs/dbraw/zinc/19/36/26/492193626.db2.gz UIHSIYUKLVBBPK-CYBMUJFWSA-N -1 3 364.352 0.911 10 0 FCAEHM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000617887967 492202283 /nfs/dbraw/zinc/20/22/83/492202283.db2.gz JILKFQXNSQRUIA-VXGBXAGGSA-N -1 3 355.412 0.648 10 0 FCAEHM COCc1nc(CNC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)n[nH]1 ZINC000617938038 492205696 /nfs/dbraw/zinc/20/56/96/492205696.db2.gz KOZBCRMHJNWEIG-UHFFFAOYSA-N -1 3 359.390 0.565 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1C[C@H](C)C(O)[C@@H](C)C1 ZINC000618258706 492219046 /nfs/dbraw/zinc/21/90/46/492219046.db2.gz TZQCJRCNFUCIHC-SRVKXCTJSA-N -1 3 358.435 0.968 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)N1CCC[C@@](O)(C2CC2)C1 ZINC000618284703 492219873 /nfs/dbraw/zinc/21/98/73/492219873.db2.gz BCDZHPAOXVEGSW-INIZCTEOSA-N -1 3 356.419 0.868 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)NCC[C@]2(C)CC2(F)F)cn1C ZINC000618630664 492232452 /nfs/dbraw/zinc/23/24/52/492232452.db2.gz YZSOZHGYZLCBKN-GFCCVEGCSA-N -1 3 350.391 0.558 10 0 FCAEHM COC(=O)[C@@]1(OC)CCN(C(=O)C(=O)[N-]c2nccn2-c2ccccc2)C1 ZINC000600033632 492234242 /nfs/dbraw/zinc/23/42/42/492234242.db2.gz IRNAJWBITXZIIK-GOSISDBHSA-N -1 3 372.381 0.601 10 0 FCAEHM CCOC(=O)c1[n-]c(C)nc1NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000610108868 492235010 /nfs/dbraw/zinc/23/50/10/492235010.db2.gz LRMARGNRUUSBJW-INIZCTEOSA-N -1 3 363.374 0.554 10 0 FCAEHM CCOC(=O)c1nc(C)[n-]c1NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000610108868 492235011 /nfs/dbraw/zinc/23/50/11/492235011.db2.gz LRMARGNRUUSBJW-INIZCTEOSA-N -1 3 363.374 0.554 10 0 FCAEHM C[C@]12COC[C@H]1CN(C(=O)Cn1cc(Br)c(=O)[n-]c1=O)C2 ZINC000618727582 492236541 /nfs/dbraw/zinc/23/65/41/492236541.db2.gz XVZMACOUSJFWLY-OQPBUACISA-N -1 3 358.192 0.206 10 0 FCAEHM C[C@@]12COC[C@H]1CN(C(=O)Cn1cc(Br)c(=O)[n-]c1=O)C2 ZINC000618727580 492236687 /nfs/dbraw/zinc/23/66/87/492236687.db2.gz XVZMACOUSJFWLY-AMIZOPFISA-N -1 3 358.192 0.206 10 0 FCAEHM CC(C)(C[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)S(C)(=O)=O ZINC000610511227 492249542 /nfs/dbraw/zinc/24/95/42/492249542.db2.gz NQWIBYZTBBVRCM-UHFFFAOYSA-N -1 3 369.486 0.192 10 0 FCAEHM COC(=O)[C@H](C)Oc1ccc(NC(=O)CC[C@H]2NC(=O)[N-]C2=O)cc1F ZINC000600344959 492263371 /nfs/dbraw/zinc/26/33/71/492263371.db2.gz PSCBFULWROIERX-GZMMTYOYSA-N -1 3 367.333 0.693 10 0 FCAEHM O=C(N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000619970092 492284593 /nfs/dbraw/zinc/28/45/93/492284593.db2.gz CWEDTNVLFQGRIK-HZPDHXFCSA-N -1 3 369.421 0.943 10 0 FCAEHM CCNc1nc(NCC2(C(=O)[O-])CCOCC2)nc(NC(C)(C)C)n1 ZINC000647458110 492293143 /nfs/dbraw/zinc/29/31/43/492293143.db2.gz SHHVVZKECUIPKR-UHFFFAOYSA-N -1 3 352.439 0.651 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC(c3ccon3)CC2)c1 ZINC000620223693 492299498 /nfs/dbraw/zinc/29/94/98/492299498.db2.gz UQGDNWIGMDSOFY-UHFFFAOYSA-N -1 3 353.404 0.093 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCc2nccnc2C1 ZINC000620424291 492309150 /nfs/dbraw/zinc/30/91/50/492309150.db2.gz YWWIIHFNFMZHFO-SNVBAGLBSA-N -1 3 352.441 0.790 10 0 FCAEHM COCC1(C2CC2)CN(C(=O)CC[N-]S(=O)(=O)c2cn(C)c(C)n2)C1 ZINC000634056101 492315864 /nfs/dbraw/zinc/31/58/64/492315864.db2.gz QBRDTVGZYKGJNS-UHFFFAOYSA-N -1 3 370.475 0.282 10 0 FCAEHM CO[C@@H]1CN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)[C@@](C)(CO)C1 ZINC000634057942 492316935 /nfs/dbraw/zinc/31/69/35/492316935.db2.gz BUULQAVFHBPNEH-MQIPJXDCSA-N -1 3 374.434 0.491 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)NCC(F)(F)C(C)(C)C)cn1C ZINC000620616952 492321281 /nfs/dbraw/zinc/32/12/81/492321281.db2.gz HHRXMSMGNZDTKG-UHFFFAOYSA-N -1 3 352.407 0.804 10 0 FCAEHM CN(C(=O)C[N-]S(=O)(=O)c1ccccc1F)[C@H]1CCCCN(C)C1=O ZINC000634146632 492322645 /nfs/dbraw/zinc/32/26/45/492322645.db2.gz KWTBIZYXKCLFOP-ZDUSSCGKSA-N -1 3 371.434 0.573 10 0 FCAEHM C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000647581962 492323812 /nfs/dbraw/zinc/32/38/12/492323812.db2.gz VUCWVZZGOFWRIY-KGLIPLIRSA-N -1 3 353.463 0.936 10 0 FCAEHM CN(C[C@H]1CCc2ccccc21)C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000620685666 492324113 /nfs/dbraw/zinc/32/41/13/492324113.db2.gz FZZPPFODCWMDDE-CQSZACIVSA-N -1 3 362.455 0.887 10 0 FCAEHM C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)N(C)Cc1ccccc1 ZINC000647583869 492325054 /nfs/dbraw/zinc/32/50/54/492325054.db2.gz IQVUGIVASPGFGN-VNQPRFMTSA-N -1 3 361.442 0.993 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCc1cccc(COC[C@@H]2CCCO2)c1 ZINC000620760861 492333474 /nfs/dbraw/zinc/33/34/74/492333474.db2.gz CUVQXVYHTZFOCI-GJZGRUSLSA-N -1 3 361.398 0.597 10 0 FCAEHM CNC(=O)C1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000642251467 492345094 /nfs/dbraw/zinc/34/50/94/492345094.db2.gz BXMQYZUCZXWPMS-OAHLLOKOSA-N -1 3 359.426 0.981 10 0 FCAEHM O=C(CC[C@H]1NC(=O)[N-]C1=O)N[C@@H]1CCc2ccccc2-n2ccnc21 ZINC000621177838 492360477 /nfs/dbraw/zinc/36/04/77/492360477.db2.gz KJKICVOLROJCRY-CHWSQXEVSA-N -1 3 353.382 0.964 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC[C@@H](c3ccccn3)C2)c1 ZINC000647822177 492366549 /nfs/dbraw/zinc/36/65/49/492366549.db2.gz RISRKSGLIHYGSP-CYBMUJFWSA-N -1 3 363.443 0.500 10 0 FCAEHM COc1ccc(CN2CC[C@H]2CNC(=O)C(=O)[N-]c2cnns2)cc1 ZINC000627806680 492391166 /nfs/dbraw/zinc/39/11/66/492391166.db2.gz LCPPSKANYGCEDG-LBPRGKRZSA-N -1 3 361.427 0.876 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(C(=O)NC2CC(N3CCOCC3)C2)cc1 ZINC000627929289 492422018 /nfs/dbraw/zinc/42/20/18/492422018.db2.gz FEMAUYOWQXUXRT-UHFFFAOYSA-N -1 3 353.444 0.651 10 0 FCAEHM CSc1nc(C)c(CCC(=O)N2CCN3C[C@H](O)C[C@H]3C2)c(=O)[n-]1 ZINC000655299553 492430113 /nfs/dbraw/zinc/43/01/13/492430113.db2.gz KZPHCEGTUUHKFQ-NWDGAFQWSA-N -1 3 352.460 0.423 10 0 FCAEHM CNC(=O)[C@H](CO)[N-]S(=O)(=O)Cc1cccc(Br)c1C ZINC000655553776 492456590 /nfs/dbraw/zinc/45/65/90/492456590.db2.gz GAZLHLBMWZNJJE-NSHDSACASA-N -1 3 365.249 0.284 10 0 FCAEHM CO[C@@H]1CCC[C@@H]([C@H](CO)NC(=O)CNC(=O)c2ccc([O-])cc2)C1 ZINC000622138308 492458625 /nfs/dbraw/zinc/45/86/25/492458625.db2.gz OKCRCXMMFMBTRY-BMFZPTHFSA-N -1 3 350.415 0.804 10 0 FCAEHM CC[C@@H](COCC1CC1)NC(=O)C[N-]S(=O)(=O)c1c(C)noc1C ZINC000622136910 492458682 /nfs/dbraw/zinc/45/86/82/492458682.db2.gz ZQJXSNJOJPAATC-ZDUSSCGKSA-N -1 3 359.448 0.891 10 0 FCAEHM CO[C@@](C)(CO)CNS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000655621792 492465030 /nfs/dbraw/zinc/46/50/30/492465030.db2.gz HPHFDCLOBFWRJO-GFCCVEGCSA-N -1 3 361.811 0.196 10 0 FCAEHM CO[C@@](C)(CO)CNS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000655621792 492465033 /nfs/dbraw/zinc/46/50/33/492465033.db2.gz HPHFDCLOBFWRJO-GFCCVEGCSA-N -1 3 361.811 0.196 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCC[C@@H]1CC1(F)F ZINC000622204488 492466634 /nfs/dbraw/zinc/46/66/34/492466634.db2.gz XBWUJASVDNJNIR-ZCFIWIBFSA-N -1 3 352.135 0.873 10 0 FCAEHM Cc1cc([N-]C(=O)c2ccc(S(=O)(=O)N(C)C)o2)c(N(C)C)nn1 ZINC000622910661 492495256 /nfs/dbraw/zinc/49/52/56/492495256.db2.gz YPNNNULYMLITNM-UHFFFAOYSA-N -1 3 353.404 0.947 10 0 FCAEHM Cc1cccc2c1C[C@@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)CO2 ZINC000628469358 492502079 /nfs/dbraw/zinc/50/20/79/492502079.db2.gz MBLNKGULKUZHDR-GFCCVEGCSA-N -1 3 364.427 0.127 10 0 FCAEHM Cc1cccc2c1C[C@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)CO2 ZINC000628469359 492503165 /nfs/dbraw/zinc/50/31/65/492503165.db2.gz MBLNKGULKUZHDR-LBPRGKRZSA-N -1 3 364.427 0.127 10 0 FCAEHM C[C@@H]1C(=O)N(C)CN1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000649159543 492507099 /nfs/dbraw/zinc/50/70/99/492507099.db2.gz PYNCGPGJFHOBBC-SSDOTTSWSA-N -1 3 351.837 0.326 10 0 FCAEHM C[C@@H](NC(=O)C(=O)N1CCC[C@@H](N(C)C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656015049 492517282 /nfs/dbraw/zinc/51/72/82/492517282.db2.gz QGQHEGFSJNVYBI-YIYPIFLZSA-N -1 3 353.463 0.791 10 0 FCAEHM COCCOCCN(CCO)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000628599155 492528271 /nfs/dbraw/zinc/52/82/71/492528271.db2.gz GIXPIJJLPUXUOQ-UHFFFAOYSA-N -1 3 370.352 0.904 10 0 FCAEHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000628726382 492538852 /nfs/dbraw/zinc/53/88/52/492538852.db2.gz VPBPPGCRBJXSBR-GFCCVEGCSA-N -1 3 356.361 0.907 10 0 FCAEHM CCNC(=O)CN(C)C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000623355894 492547388 /nfs/dbraw/zinc/54/73/88/492547388.db2.gz ANVGNCDKWKJCJX-UHFFFAOYSA-N -1 3 357.414 0.667 10 0 FCAEHM CN(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629212256 492591382 /nfs/dbraw/zinc/59/13/82/492591382.db2.gz CGFRYKJFHSFJNX-OCAPTIKFSA-N -1 3 365.864 0.402 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)NCC2(C(F)(F)F)CCCC2)c1 ZINC000629464515 492634246 /nfs/dbraw/zinc/63/42/46/492634246.db2.gz CMIPYYUFPOHJEW-UHFFFAOYSA-N -1 3 368.381 0.937 10 0 FCAEHM CCCCOc1ccc(C(=O)NC2CN(S(=O)(=O)N(C)C)C2)c([O-])c1 ZINC000629531503 492639986 /nfs/dbraw/zinc/63/99/86/492639986.db2.gz NLNPLBKJQJSBAM-UHFFFAOYSA-N -1 3 371.459 0.792 10 0 FCAEHM CO[C@H](C)CS(=O)(=O)[N-]c1cccc(CN2CCCS2(=O)=O)c1 ZINC000656633263 492640452 /nfs/dbraw/zinc/64/04/52/492640452.db2.gz ZHTOOBUPAKXIFX-GFCCVEGCSA-N -1 3 362.473 0.999 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]c1cc(C)nn1-c1ncccn1)[C@H]1CCOC1 ZINC000656728690 492646721 /nfs/dbraw/zinc/64/67/21/492646721.db2.gz QVOLQJVLRRIBJA-QWHCGFSZSA-N -1 3 367.431 0.764 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]c1cccc(-n2cnnn2)c1)[C@H]1CCOC1 ZINC000656731405 492647390 /nfs/dbraw/zinc/64/73/90/492647390.db2.gz OJDQVFMAADMVRS-SMDDNHRTSA-N -1 3 353.404 0.456 10 0 FCAEHM CO[C@@H](CS(=O)(=O)N=c1nc(-c2cccs2)[n-]n1C)[C@@H]1CCOC1 ZINC000656734942 492647935 /nfs/dbraw/zinc/64/79/35/492647935.db2.gz YMUOQSXLNUMYKA-MNOVXSKESA-N -1 3 372.472 0.759 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)Nc2ccc3c(c2)CCC3=O)cn1C ZINC000650548430 492649044 /nfs/dbraw/zinc/64/90/44/492649044.db2.gz SIODHULBSZCBNT-UHFFFAOYSA-N -1 3 362.411 0.774 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]CC(=O)Nc1cccc(F)c1)[C@@H]1CCOC1 ZINC000656890536 492660743 /nfs/dbraw/zinc/66/07/43/492660743.db2.gz WSMGAELLKRYOCP-BXUZGUMPSA-N -1 3 360.407 0.735 10 0 FCAEHM C[C@@H]1C[C@H](CO)CCN1C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000629681161 492662107 /nfs/dbraw/zinc/66/21/07/492662107.db2.gz XKLANQGSPCOKLV-RKDXNWHRSA-N -1 3 360.208 0.331 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[C@@H](CO)C[C@H]2C)cn1C ZINC000629679594 492662398 /nfs/dbraw/zinc/66/23/98/492662398.db2.gz RRTICOVANYCION-DGCLKSJQSA-N -1 3 358.464 0.016 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-]CC(=O)NCc2ccco2)CCOCC1 ZINC000624807643 492686676 /nfs/dbraw/zinc/68/66/76/492686676.db2.gz FWSDSXPEOHGQFC-UHFFFAOYSA-N -1 3 360.432 0.401 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]CCS(=O)(=O)NC2CC2)c(F)c1F ZINC000624839592 492689474 /nfs/dbraw/zinc/68/94/74/492689474.db2.gz JHWAEAYEBWENAD-UHFFFAOYSA-N -1 3 354.400 0.633 10 0 FCAEHM CC(=O)N1CCc2sc(S(=O)(=O)[N-]CCc3cn(C)cn3)cc2C1 ZINC000657009440 492693045 /nfs/dbraw/zinc/69/30/45/492693045.db2.gz FBVMJMYHRXIQJB-UHFFFAOYSA-N -1 3 368.484 0.907 10 0 FCAEHM CC(=O)N1CCc2sc(S(=O)(=O)[N-]C3(C(=O)N(C)C)CC3)cc2C1 ZINC000657013093 492693583 /nfs/dbraw/zinc/69/35/83/492693583.db2.gz OZMUHWOVIUPKIJ-UHFFFAOYSA-N -1 3 371.484 0.552 10 0 FCAEHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)c2ncnn21 ZINC000657065266 492707498 /nfs/dbraw/zinc/70/74/98/492707498.db2.gz CBVWQZORJUQKFD-SKDRFNHKSA-N -1 3 368.440 0.592 10 0 FCAEHM Cc1cc(S(=O)(=O)[N-]C[C@]2(OCCO)CCOC2)c(F)cc1F ZINC000657084857 492711786 /nfs/dbraw/zinc/71/17/86/492711786.db2.gz CEAGNODSVZFUHO-CQSZACIVSA-N -1 3 351.371 0.720 10 0 FCAEHM O=S(=O)(Cc1noc2ccccc21)[N-]C[C@]1(OCCO)CCOC1 ZINC000657087422 492713605 /nfs/dbraw/zinc/71/36/05/492713605.db2.gz TXTIJUZJQXVQCV-OAHLLOKOSA-N -1 3 356.400 0.415 10 0 FCAEHM CCCCN(CCCC)S(=O)(=O)[N-][C@H]1CS(=O)(=O)C[C@@H]1OC ZINC000657098864 492717629 /nfs/dbraw/zinc/71/76/29/492717629.db2.gz DLHRJGBEOWVLQU-STQMWFEESA-N -1 3 356.510 0.535 10 0 FCAEHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@@H]2COC[C@]2(C)C1 ZINC000657164040 492735065 /nfs/dbraw/zinc/73/50/65/492735065.db2.gz DHJIIPLKJZFNEH-DOMZBBRYSA-N -1 3 374.484 0.642 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000636955633 492736392 /nfs/dbraw/zinc/73/63/92/492736392.db2.gz FXVSMJLOUDYJAG-DMDPSCGWSA-N -1 3 359.473 0.581 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@H](C)O[C@@H](C)C1 ZINC000657189605 492739799 /nfs/dbraw/zinc/73/97/99/492739799.db2.gz MJPMVDHFROUUKD-NEPJUHHUSA-N -1 3 362.473 0.783 10 0 FCAEHM CC[C@H](CNS(C)(=O)=O)[N-]S(=O)(=O)c1ccc(C)c(F)c1F ZINC000625234504 492742481 /nfs/dbraw/zinc/74/24/81/492742481.db2.gz SMOVLDLQZIHJJG-SECBINFHSA-N -1 3 356.416 0.879 10 0 FCAEHM CCC(F)(F)C(C)(C)CS(=O)(=O)[N-]C[C@@]1(O)CCS(=O)(=O)C1 ZINC000625235367 492742555 /nfs/dbraw/zinc/74/25/55/492742555.db2.gz KYBWSCUTXZPKCS-NSHDSACASA-N -1 3 363.448 0.527 10 0 FCAEHM CCC(F)(F)C(C)(C)CS(=O)(=O)[N-]C[C@]1(O)CCS(=O)(=O)C1 ZINC000625235363 492742722 /nfs/dbraw/zinc/74/27/22/492742722.db2.gz KYBWSCUTXZPKCS-LLVKDONJSA-N -1 3 363.448 0.527 10 0 FCAEHM COCCOC1(C[N-]S(=O)(=O)[C@@H]2COC(C)(C)C2)CCOCC1 ZINC000625236516 492743455 /nfs/dbraw/zinc/74/34/55/492743455.db2.gz WYIXJACQRUKZPX-ZDUSSCGKSA-N -1 3 351.465 0.686 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1C[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000625338541 492758852 /nfs/dbraw/zinc/75/88/52/492758852.db2.gz LTOMMZNIRFKDJS-UHFFFAOYSA-N -1 3 365.337 0.896 10 0 FCAEHM CN1C2(CCC2)COC[C@]1(CO)C[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000625376668 492767554 /nfs/dbraw/zinc/76/75/54/492767554.db2.gz MFUBRTZEBKPGRA-GOEBONIOSA-N -1 3 362.492 0.091 10 0 FCAEHM Cn1ccnc1C([N-]S(=O)(=O)CCOCC1CCC1)c1nccn1C ZINC000625377490 492768539 /nfs/dbraw/zinc/76/85/39/492768539.db2.gz IELCEQNQUKWROM-UHFFFAOYSA-N -1 3 367.475 0.979 10 0 FCAEHM Cc1cccc(N2CCN(CCCNC(=O)CCc3nnn[n-]3)CC2)c1 ZINC000630720877 492770078 /nfs/dbraw/zinc/77/00/78/492770078.db2.gz MZXYOBHYPJXTOC-UHFFFAOYSA-N -1 3 357.462 0.769 10 0 FCAEHM Cc1cccc(N2CCN(CCCNC(=O)CCc3nn[n-]n3)CC2)c1 ZINC000630720877 492770080 /nfs/dbraw/zinc/77/00/80/492770080.db2.gz MZXYOBHYPJXTOC-UHFFFAOYSA-N -1 3 357.462 0.769 10 0 FCAEHM Cc1cnn(C)c1NC(=O)C(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000657658026 492772582 /nfs/dbraw/zinc/77/25/82/492772582.db2.gz JFZKVVPWSHCBHS-UHFFFAOYSA-N -1 3 359.386 0.309 10 0 FCAEHM CC(=O)N1CCc2sc(S(=O)(=O)[N-][C@H]3C[C@H](C(N)=O)C3)cc2C1 ZINC000625425269 492780772 /nfs/dbraw/zinc/78/07/72/492780772.db2.gz DNGAOBAWRHNEOE-HOMQSWHASA-N -1 3 357.457 0.195 10 0 FCAEHM O=C1[C@H]([N-]S(=O)(=O)N2CCCOCC2)CCCN1c1ccccc1 ZINC000651561080 492782344 /nfs/dbraw/zinc/78/23/44/492782344.db2.gz ZSPWUQWFCKXUJE-OAHLLOKOSA-N -1 3 353.444 0.739 10 0 FCAEHM CC(C)n1cnc(=NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)[n-]1 ZINC000651630734 492796869 /nfs/dbraw/zinc/79/68/69/492796869.db2.gz NKIBYTJRPFFKPT-DZGCQCFKSA-N -1 3 360.462 0.695 10 0 FCAEHM COC1(CS(=O)(=O)[N-]Cc2ncnn2-c2ccccc2)CCOCC1 ZINC000651677071 492805198 /nfs/dbraw/zinc/80/51/98/492805198.db2.gz WJOVRGABPXKDKH-UHFFFAOYSA-N -1 3 366.443 0.882 10 0 FCAEHM CN1CCOC[C@@H]1C[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000625516529 492806285 /nfs/dbraw/zinc/80/62/85/492806285.db2.gz BFQUVQDBMQAAGW-NSHDSACASA-N -1 3 373.862 0.834 10 0 FCAEHM CN1CCOC[C@@H]1CNS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000625517429 492807408 /nfs/dbraw/zinc/80/74/08/492807408.db2.gz NOSJMCWJNCHJOD-VIFPVBQESA-N -1 3 372.838 0.129 10 0 FCAEHM CN1CCOC[C@@H]1CNS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000625517429 492807410 /nfs/dbraw/zinc/80/74/10/492807410.db2.gz NOSJMCWJNCHJOD-VIFPVBQESA-N -1 3 372.838 0.129 10 0 FCAEHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]C[C@H]2COCCN2C)s1 ZINC000625518153 492807816 /nfs/dbraw/zinc/80/78/16/492807816.db2.gz SYWAVSPXRPVPNZ-JQWIXIFHSA-N -1 3 361.489 0.554 10 0 FCAEHM CN1CCOC[C@H]1C[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000625518582 492808069 /nfs/dbraw/zinc/80/80/69/492808069.db2.gz XHGAZIIQWQKSJN-LLVKDONJSA-N -1 3 357.407 0.319 10 0 FCAEHM CCN(C)C(=O)[C@@H]([N-]S(=O)(=O)CC1(OC)CCOCC1)C(C)C ZINC000651725198 492813633 /nfs/dbraw/zinc/81/36/33/492813633.db2.gz WGZYTNQTZRQWEN-ZDUSSCGKSA-N -1 3 350.481 0.604 10 0 FCAEHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC[C@]2(O)CCOC2)cc1F ZINC000651839222 492831352 /nfs/dbraw/zinc/83/13/52/492831352.db2.gz YKGQVWQGTBDBGX-ZDUSSCGKSA-N -1 3 367.420 0.049 10 0 FCAEHM CCN([C@@H]1CCCOC1)S(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000651843949 492832356 /nfs/dbraw/zinc/83/23/56/492832356.db2.gz VHVDBVICKRJYBR-SNVBAGLBSA-N -1 3 368.415 0.224 10 0 FCAEHM C[C@H](CN1CCOCC1)[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000631752545 492847390 /nfs/dbraw/zinc/84/73/90/492847390.db2.gz NCOZLFBWJDXPQD-SECBINFHSA-N -1 3 356.370 0.438 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]Cc1nnc2n1CCC2 ZINC000631700948 492837474 /nfs/dbraw/zinc/83/74/74/492837474.db2.gz FTBURAYOKHUSDT-UHFFFAOYSA-N -1 3 350.326 0.455 10 0 FCAEHM C[C@H]1OCC[C@@H]1S(=O)(=O)[N-]CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000625617968 492841136 /nfs/dbraw/zinc/84/11/36/492841136.db2.gz QOKILXXQWGLKOF-YGRLFVJLSA-N -1 3 356.400 0.493 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N3CCCC4(CC4)CC3)cnc21 ZINC000625633792 492848707 /nfs/dbraw/zinc/84/87/07/492848707.db2.gz GEDRKJHLXNQBKE-UHFFFAOYSA-N -1 3 364.427 0.989 10 0 FCAEHM Cc1cc(C2([N-]S(=O)(=O)CCCN3CCOCC3)CCOCC2)on1 ZINC000625652113 492852813 /nfs/dbraw/zinc/85/28/13/492852813.db2.gz HJYAHYKFZZPSMU-UHFFFAOYSA-N -1 3 373.475 0.630 10 0 FCAEHM Cc1cc(C2([N-]S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CCOCC2)on1 ZINC000625653927 492853086 /nfs/dbraw/zinc/85/30/86/492853086.db2.gz QLNZVSLGWKRTJB-STQMWFEESA-N -1 3 359.448 0.932 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)c2ccc(Cn3cncn3)cc2)nc1=N ZINC000651979386 492857181 /nfs/dbraw/zinc/85/71/81/492857181.db2.gz NLLCEHTVAKKHIN-CQSZACIVSA-N -1 3 352.402 0.845 10 0 FCAEHM COc1cccc(-n2cc(C(=O)N3CCC[C@@H]3c3nc(=N)n(C)[n-]3)nn2)c1 ZINC000651976419 492857322 /nfs/dbraw/zinc/85/73/22/492857322.db2.gz KZANJQANQCAKEW-CQSZACIVSA-N -1 3 368.401 0.794 10 0 FCAEHM Cc1ccc(C(=O)N2CCC[C@H]2c2nc(=N)n(C)[n-]2)cc1S(N)(=O)=O ZINC000651980066 492857588 /nfs/dbraw/zinc/85/75/88/492857588.db2.gz YUVWJCVFBLIQFA-NSHDSACASA-N -1 3 364.431 0.161 10 0 FCAEHM CCOc1ccc(NC(=O)C[N-]S(=O)(=O)C[C@H]2CN(C)CCO2)cc1 ZINC000631872373 492867544 /nfs/dbraw/zinc/86/75/44/492867544.db2.gz ZLIUJRFZSKMLGW-OAHLLOKOSA-N -1 3 371.459 0.274 10 0 FCAEHM COC1(CS(=O)(=O)[N-]CC(=O)N(C)CCc2ccccn2)CCCC1 ZINC000631892731 492871519 /nfs/dbraw/zinc/87/15/19/492871519.db2.gz SQPKNZQQLRDYNY-UHFFFAOYSA-N -1 3 369.487 0.961 10 0 FCAEHM CC(=O)N1CCC(C[N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)CC1 ZINC000631906095 492874718 /nfs/dbraw/zinc/87/47/18/492874718.db2.gz CKZQKCLSQARLJC-UHFFFAOYSA-N -1 3 368.381 0.976 10 0 FCAEHM O=C1[C@H]([N-]S(=O)(=O)C[C@H]2CNCCO2)CCN1c1ccc(Cl)cc1 ZINC000631922458 492886052 /nfs/dbraw/zinc/88/60/52/492886052.db2.gz XDHOLINYTTYWEI-ZIAGYGMSSA-N -1 3 373.862 0.353 10 0 FCAEHM O=C1[C@@H]([N-]S(=O)(=O)C[C@@H]2CNCCO2)CCCN1c1ccccc1F ZINC000631928709 492890539 /nfs/dbraw/zinc/89/05/39/492890539.db2.gz LBAVHHIUBPTBHM-JSGCOSHPSA-N -1 3 371.434 0.229 10 0 FCAEHM O=C(NCc1ccc([O-])c(F)c1)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000645308951 492891328 /nfs/dbraw/zinc/89/13/28/492891328.db2.gz DHRRKCRFNMCDQP-HNNXBMFYSA-N -1 3 358.391 0.630 10 0 FCAEHM O=S(=O)(Cc1ncsc1Br)[N-]C[C@H]1COCCN1 ZINC000631954792 492897941 /nfs/dbraw/zinc/89/79/41/492897941.db2.gz WVBRMQOFAHNURN-ZETCQYMHSA-N -1 3 356.267 0.313 10 0 FCAEHM COc1ncc(S(=O)(=O)N2CCC3(CC2)NC(=O)[N-]C3=O)cc1Cl ZINC000645456331 492908612 /nfs/dbraw/zinc/90/86/12/492908612.db2.gz KEYDKMJKXGJZKT-UHFFFAOYSA-N -1 3 374.806 0.106 10 0 FCAEHM COc1ccccc1[C@H](CO)[N-]S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000632014846 492911867 /nfs/dbraw/zinc/91/18/67/492911867.db2.gz UAGKZGZCBRGBLI-JSGCOSHPSA-N -1 3 354.428 0.411 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CC(=O)NCC(F)(F)F)coc1C(=O)N(C)C ZINC000645479807 492912326 /nfs/dbraw/zinc/91/23/26/492912326.db2.gz VBPAPEAMLQXNNX-UHFFFAOYSA-N -1 3 371.337 0.247 10 0 FCAEHM COC1(CS(=O)(=O)[N-][C@H]2CCCN(c3ccn(C)n3)C2=O)CCC1 ZINC000632038009 492916344 /nfs/dbraw/zinc/91/63/44/492916344.db2.gz LYHRFUGRVMXYNY-LBPRGKRZSA-N -1 3 356.448 0.404 10 0 FCAEHM Cc1cc(N2CC[C@@H]([N-]S(=O)(=O)C[C@H]3CCC3(F)F)C2=O)n(C)n1 ZINC000632041594 492917641 /nfs/dbraw/zinc/91/76/41/492917641.db2.gz QMVYJXMINLCDNY-GHMZBOCLSA-N -1 3 362.402 0.799 10 0 FCAEHM C[C@@H]1C[C@H]([N-]S(=O)(=O)C[C@@H]2CCC2(F)F)C(=O)N1c1cnn(C)c1 ZINC000632048539 492919750 /nfs/dbraw/zinc/91/97/50/492919750.db2.gz NEOGYMNHTSSQSJ-SCVCMEIPSA-N -1 3 362.402 0.879 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@@H]2CCCS(=O)(=O)C2)coc1C(=O)N(C)C ZINC000645531155 492921641 /nfs/dbraw/zinc/92/16/41/492921641.db2.gz BPNQGTIDGASJRG-SNVBAGLBSA-N -1 3 364.445 0.145 10 0 FCAEHM CN1CCC[C@@H]([N-]S(=O)(=O)Cc2ncsc2Br)C1=O ZINC000632065534 492922656 /nfs/dbraw/zinc/92/26/56/492922656.db2.gz BLTKWTHEDFSTAI-SSDOTTSWSA-N -1 3 368.278 0.946 10 0 FCAEHM Cn1cc(N2CC[C@@H]([N-]S(=O)(=O)CCC[C@@H]3CCOC3)C2=O)cn1 ZINC000645546652 492923578 /nfs/dbraw/zinc/92/35/78/492923578.db2.gz AEYIUJRAJJLSOX-TZMCWYRMSA-N -1 3 356.448 0.262 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CC2(O)CCN(C)CC2)coc1C(=O)N(C)C ZINC000645559351 492926057 /nfs/dbraw/zinc/92/60/57/492926057.db2.gz AVHXBTKTYNFBLK-UHFFFAOYSA-N -1 3 359.448 0.025 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]CCCO[C@H]1CCOC1 ZINC000632091232 492927094 /nfs/dbraw/zinc/92/70/94/492927094.db2.gz BYCZDHLHEWINJK-VIFPVBQESA-N -1 3 357.354 0.913 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)coc1C(=O)N(C)C ZINC000645571101 492929061 /nfs/dbraw/zinc/92/90/61/492929061.db2.gz IIGLAUVDBWWWQL-YUSALJHKSA-N -1 3 369.443 0.577 10 0 FCAEHM C[C@@H]1C[C@H]([N-]S(=O)(=O)CCC[C@@H]2CCOC2)C(=O)N1c1cnn(C)c1 ZINC000645573832 492930064 /nfs/dbraw/zinc/93/00/64/492930064.db2.gz ZDJFOZLTBJCSTR-NFAWXSAZSA-N -1 3 370.475 0.650 10 0 FCAEHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)CCOCC2CCC2)C(=O)N1c1cnn(C)c1 ZINC000645573828 492930363 /nfs/dbraw/zinc/93/03/63/492930363.db2.gz ZBAHKAZZFYYIGH-IUODEOHRSA-N -1 3 370.475 0.650 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]Cc2ccc(C(N)=O)o2)coc1C(=O)N(C)C ZINC000645575972 492931021 /nfs/dbraw/zinc/93/10/21/492931021.db2.gz DPCVJDULBYKJAX-UHFFFAOYSA-N -1 3 355.372 0.460 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]CC(C)(C)S(C)(=O)=O)C1CCOCC1 ZINC000645581441 492932089 /nfs/dbraw/zinc/93/20/89/492932089.db2.gz LQNWJYVDRAVCRW-GFCCVEGCSA-N -1 3 357.494 0.171 10 0 FCAEHM Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000626236964 492950853 /nfs/dbraw/zinc/95/08/53/492950853.db2.gz WUULBXCUTPQMLC-UHFFFAOYSA-N -1 3 366.374 0.476 10 0 FCAEHM Cc1c(C(=O)N(C)C)occ1S(=O)(=O)[N-]C[C@](C)(O)C(F)(F)F ZINC000645633851 492951520 /nfs/dbraw/zinc/95/15/20/492951520.db2.gz JRLWJBDUXZBIBL-NSHDSACASA-N -1 3 358.338 0.881 10 0 FCAEHM CNC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000645631192 492951643 /nfs/dbraw/zinc/95/16/43/492951643.db2.gz JDPWNWBXNKREAQ-NSHDSACASA-N -1 3 359.448 0.729 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]Cc2ccnc(N(C)C)n2)coc1C(=O)N(C)C ZINC000645639285 492952411 /nfs/dbraw/zinc/95/24/11/492952411.db2.gz HPAQGXSFRTXBQP-UHFFFAOYSA-N -1 3 367.431 0.624 10 0 FCAEHM Cc1ccccc1-c1nc(C[N-]S(=O)(=O)C[C@@H]2CN(C)CCO2)no1 ZINC000632232430 492954460 /nfs/dbraw/zinc/95/44/60/492954460.db2.gz BJKYXTBSASYMBG-ZDUSSCGKSA-N -1 3 366.443 0.795 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CCN2CCCOCC2)coc1C(=O)N(C)C ZINC000645670348 492957813 /nfs/dbraw/zinc/95/78/13/492957813.db2.gz JCEFJJMAEMJZSY-UHFFFAOYSA-N -1 3 359.448 0.290 10 0 FCAEHM CCOC1CC(O)(C[N-]S(=O)(=O)C[C@@H](OC)C2CCOCC2)C1 ZINC000645683022 492959035 /nfs/dbraw/zinc/95/90/35/492959035.db2.gz BXOCYOKMNVPSMH-SHARSMKWSA-N -1 3 351.465 0.277 10 0 FCAEHM Cn1cnnc1S(=O)(=O)[N-]CCN1CCc2c(Cl)cccc2C1 ZINC000632261601 492959842 /nfs/dbraw/zinc/95/98/42/492959842.db2.gz UFXTXYIZMUTZBO-UHFFFAOYSA-N -1 3 355.851 0.805 10 0 FCAEHM COC[C@@H]([N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C)[C@@H]1CCCO1 ZINC000645686766 492959939 /nfs/dbraw/zinc/95/99/39/492959939.db2.gz DUTFBDJAUFPNFK-NEPJUHHUSA-N -1 3 360.432 0.762 10 0 FCAEHM O=C1[N-]C(=O)[C@]2(CCCN(S(=O)(=O)CCCC3CCOCC3)C2)N1 ZINC000645686603 492960026 /nfs/dbraw/zinc/96/00/26/492960026.db2.gz BKBVRWHBDKTDBX-OAHLLOKOSA-N -1 3 359.448 0.197 10 0 FCAEHM Cn1cnnc1S(=O)(=O)[N-][C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000632272659 492962222 /nfs/dbraw/zinc/96/22/22/492962222.db2.gz WATBPLAUCCALAX-GFCCVEGCSA-N -1 3 353.379 0.034 10 0 FCAEHM C[C@]1(C[C@H]2CCCN2S(=O)(=O)CCC[C@H]2CCOC2)NC(=O)[N-]C1=O ZINC000645714212 492965124 /nfs/dbraw/zinc/96/51/24/492965124.db2.gz ZYKQWCUBHPXJMB-WOSRLPQWSA-N -1 3 373.475 0.586 10 0 FCAEHM O=S(=O)(CCOCC1CCC1)[N-]C[C@H](N1CCOCC1)C(F)(F)F ZINC000645711991 492965224 /nfs/dbraw/zinc/96/52/24/492965224.db2.gz AZPMRYVFQNTFAQ-ZDUSSCGKSA-N -1 3 374.425 0.986 10 0 FCAEHM C[C@]1(C[C@@H]2CCCN2S(=O)(=O)CCC[C@H]2CCOC2)NC(=O)[N-]C1=O ZINC000645714211 492965303 /nfs/dbraw/zinc/96/53/03/492965303.db2.gz ZYKQWCUBHPXJMB-HEHGZKQESA-N -1 3 373.475 0.586 10 0 FCAEHM Cc1ccc(C[N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)c(=O)n1C ZINC000632284260 492965330 /nfs/dbraw/zinc/96/53/30/492965330.db2.gz JOQZHVLLBFCURN-UHFFFAOYSA-N -1 3 364.349 0.925 10 0 FCAEHM COCC[C@@H](CO)[N-]S(=O)(=O)Cc1ncsc1Br ZINC000632303307 492969323 /nfs/dbraw/zinc/96/93/23/492969323.db2.gz IBOSTWMOCYFYSA-ZETCQYMHSA-N -1 3 359.267 0.722 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@H]2C[C@@H]3CCCCN3C2=O)coc1C(=O)N(C)C ZINC000645752340 492970268 /nfs/dbraw/zinc/97/02/68/492970268.db2.gz SNKQTKSYKDKYLR-RYUDHWBXSA-N -1 3 369.443 0.722 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@@H]1C[C@H]2CCCCN2C1=O)C1CCOCC1 ZINC000645752139 492970297 /nfs/dbraw/zinc/97/02/97/492970297.db2.gz IAMYWUWQZKXETE-RBSFLKMASA-N -1 3 360.476 0.501 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@H](CO)[C@H]2CCCOC2)coc1C(=O)N(C)C ZINC000645761120 492970911 /nfs/dbraw/zinc/97/09/11/492970911.db2.gz VAACVZWRWQDHGI-NWDGAFQWSA-N -1 3 360.432 0.356 10 0 FCAEHM Cn1cnc(CCCNC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)n1 ZINC000645766236 492972034 /nfs/dbraw/zinc/97/20/34/492972034.db2.gz BMXIHBGPJZRMDC-UHFFFAOYSA-N -1 3 372.429 0.621 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N3CC(C)(CC(F)F)C3)cnc21 ZINC000645818142 492977669 /nfs/dbraw/zinc/97/76/69/492977669.db2.gz SATPITODWRQZNE-UHFFFAOYSA-N -1 3 374.369 0.700 10 0 FCAEHM O=C1C[C@H](S(=O)(=O)[N-][C@@H]([C@@H]2CCCO2)C2(CO)CCC2)CN1C1CC1 ZINC000632347021 492979054 /nfs/dbraw/zinc/97/90/54/492979054.db2.gz JUCPQWFYBYFYKD-DZKIICNBSA-N -1 3 372.487 0.379 10 0 FCAEHM O=C1C[C@H](S(=O)(=O)[N-][C@H]([C@@H]2CCCO2)C2(CO)CCC2)CN1C1CC1 ZINC000632347023 492979076 /nfs/dbraw/zinc/97/90/76/492979076.db2.gz JUCPQWFYBYFYKD-OFQRWUPVSA-N -1 3 372.487 0.379 10 0 FCAEHM CN1CCO[C@@H](CS(=O)(=O)[N-]Cc2ncn(-c3ccccc3)n2)C1 ZINC000632374979 492986486 /nfs/dbraw/zinc/98/64/86/492986486.db2.gz XFWNPXLBTCXWTC-CQSZACIVSA-N -1 3 351.432 0.017 10 0 FCAEHM CO[C@H]1COCC[C@H]1C[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000632406784 492991477 /nfs/dbraw/zinc/99/14/77/492991477.db2.gz VMKXFDYPYDSODO-WPRPVWTQSA-N -1 3 357.354 0.769 10 0 FCAEHM CCN1C[C@@H](S(=O)(=O)[N-][C@@H]2CCN(c3ccc(F)cc3)C2=O)CC1=O ZINC000632457929 493002218 /nfs/dbraw/zinc/00/22/18/493002218.db2.gz RMRMWUSIKOJYEF-UONOGXRCSA-N -1 3 369.418 0.471 10 0 FCAEHM CCN1C[C@@H](S(=O)(=O)[N-]CC(=O)C2CCC(F)(F)CC2)CC1=O ZINC000632479160 493005841 /nfs/dbraw/zinc/00/58/41/493005841.db2.gz APSALUOSXOJDCP-NSHDSACASA-N -1 3 352.403 0.921 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)NCC[C@]1(O)CCOC1 ZINC000652807533 493021496 /nfs/dbraw/zinc/02/14/96/493021496.db2.gz OVVQTJQJDXXJGI-LBPRGKRZSA-N -1 3 368.864 0.338 10 0 FCAEHM C[C@@H]1C[C@@H]1c1noc(CC2CCN(C(=O)C[C@@H]3NC(=O)[N-]C3=O)CC2)n1 ZINC000652845849 493028749 /nfs/dbraw/zinc/02/87/49/493028749.db2.gz FCUMQMHLKABASG-USWWRNFRSA-N -1 3 361.402 0.572 10 0 FCAEHM CC(=O)N1CC[C@H](CNC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000646238455 493031389 /nfs/dbraw/zinc/03/13/89/493031389.db2.gz DMKOCTSYXICEFJ-WCQYABFASA-N -1 3 371.434 0.477 10 0 FCAEHM Cn1cc([C@@H]2[C@H](C(=O)[N-]c3nnc4[nH]cnn34)CC(=O)N2C(C)(C)C)cn1 ZINC000646266833 493035310 /nfs/dbraw/zinc/03/53/10/493035310.db2.gz VECRMRQQLXONPV-ZYHUDNBSSA-N -1 3 371.405 0.513 10 0 FCAEHM O=C1C[C@H](S(=O)(=O)[N-]C[C@@H](n2cccn2)C(F)(F)F)CN1C1CC1 ZINC000632589565 493038149 /nfs/dbraw/zinc/03/81/49/493038149.db2.gz RNMVSTPJCOYDCR-WDEREUQCSA-N -1 3 366.365 0.669 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCCc1nncn1C ZINC000646330237 493040996 /nfs/dbraw/zinc/04/09/96/493040996.db2.gz LHOUIOXPOXJERM-NSHDSACASA-N -1 3 369.422 0.370 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCN2C)co1 ZINC000646449443 493049329 /nfs/dbraw/zinc/04/93/29/493049329.db2.gz NDDADYORJMBCOU-QWHCGFSZSA-N -1 3 357.432 0.123 10 0 FCAEHM C[C@@]1(c2ccc(C(=O)N3CC(C)(C)O[C@@H]4COC[C@H]43)cc2)NC(=O)[N-]C1=O ZINC000653006046 493058044 /nfs/dbraw/zinc/05/80/44/493058044.db2.gz BYVYCUJGJHALIJ-LPMFXHHGSA-N -1 3 373.409 0.760 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCC(C2(O)CC2)CC1 ZINC000653037215 493062649 /nfs/dbraw/zinc/06/26/49/493062649.db2.gz ZQNXLCPPSDVSNN-UHFFFAOYSA-N -1 3 357.432 0.333 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)C1CN(C(=O)c2ccccc2)C1)[C@@H](O)C(F)(F)F ZINC000632673648 493063386 /nfs/dbraw/zinc/06/33/86/493063386.db2.gz MQEYOBZGPIBPKR-JOYOIKCWSA-N -1 3 366.361 0.742 10 0 FCAEHM Cc1c(C(=O)N(C)C)occ1S(=O)(=O)[N-][C@H](C)[C@@H](O)C(F)(F)F ZINC000632676345 493063406 /nfs/dbraw/zinc/06/34/06/493063406.db2.gz IYRFHSLNNPRTNR-GMSGAONNSA-N -1 3 358.338 0.880 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@H]2CNc3ccccc3C2)cn1C ZINC000653207580 493083381 /nfs/dbraw/zinc/08/33/81/493083381.db2.gz VNYUDZMBRNCWEP-CYBMUJFWSA-N -1 3 363.443 0.160 10 0 FCAEHM CCN1CCC[C@H]1CN1C[C@@H](C(=O)N2[C@@H](C)CC[C@H]2C(=O)[O-])CC1=O ZINC000653317680 493093840 /nfs/dbraw/zinc/09/38/40/493093840.db2.gz DHLYSKCFQKSWBR-AJNGGQMLSA-N -1 3 351.447 0.783 10 0 FCAEHM CCN(CC)CCN(CCOC)C(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000633064341 493111289 /nfs/dbraw/zinc/11/12/89/493111289.db2.gz ALKGGFAYTOZKCI-AWEZNQCLSA-N -1 3 357.451 0.126 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000627262331 493123454 /nfs/dbraw/zinc/12/34/54/493123454.db2.gz LXAGWFMLVGSDHT-ZOBUZTSGSA-N -1 3 373.453 0.664 10 0 FCAEHM NCc1cc(=O)[n-]c(CNC(=O)NC2CCN(c3ccccn3)CC2)n1 ZINC000659436866 493178701 /nfs/dbraw/zinc/17/87/01/493178701.db2.gz SAHVCMNLVJSLJP-UHFFFAOYSA-N -1 3 357.418 0.504 10 0 FCAEHM C[C@@]1(c2ccc(NC(=O)c3cnc4n3CCOC4)cc2)NC(=O)[N-]C1=O ZINC000666445620 493184620 /nfs/dbraw/zinc/18/46/20/493184620.db2.gz GAWAHLMMXNNKJC-KRWDZBQOSA-N -1 3 355.354 0.720 10 0 FCAEHM Cn1ccnc1COCC(=O)Nc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000666445826 493185088 /nfs/dbraw/zinc/18/50/88/493185088.db2.gz JGHNSERXRNQYOQ-QGZVFWFLSA-N -1 3 357.370 0.630 10 0 FCAEHM COc1ccccc1N1CC[C@H](NC(=O)NCc2nc(CN)cc(=O)[n-]2)C1 ZINC000659465705 493187414 /nfs/dbraw/zinc/18/74/14/493187414.db2.gz CKANFKNVMPVQFE-LBPRGKRZSA-N -1 3 372.429 0.728 10 0 FCAEHM Cc1cc(N2CCC[C@H](NC(=O)NCc3nc(CN)cc(=O)[n-]3)C2)n(C)n1 ZINC000659487323 493194049 /nfs/dbraw/zinc/19/40/49/493194049.db2.gz XRQXHKAGTVZGAH-LBPRGKRZSA-N -1 3 374.449 0.151 10 0 FCAEHM COC[C@H](CCNC(=O)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1)OC ZINC000666513121 493196531 /nfs/dbraw/zinc/19/65/31/493196531.db2.gz MYESOEJHDNFEHO-UONOGXRCSA-N -1 3 364.402 0.610 10 0 FCAEHM C[C@]12COC[C@H]1CN(C(=O)Nc1ccc(C[C@H]3NC(=O)[N-]C3=O)cc1)C2 ZINC000666513848 493197319 /nfs/dbraw/zinc/19/73/19/493197319.db2.gz SDLQWFTXDGLNDR-DFHBCGBQSA-N -1 3 358.398 0.937 10 0 FCAEHM CC(C)CN1CCO[C@H](CNC(=O)CN2C[C@@H](C(=O)[O-])CC[C@@H]2C)C1 ZINC000647367375 493197909 /nfs/dbraw/zinc/19/79/09/493197909.db2.gz SQOIXWXRGGVKSK-HRCADAONSA-N -1 3 355.479 0.645 10 0 FCAEHM O=C(N[C@H](C[C@@H]1CCCO1)C(F)(F)F)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000654265076 493219699 /nfs/dbraw/zinc/21/96/99/493219699.db2.gz ZZYCECKBKXIUDQ-IVZWLZJFSA-N -1 3 364.324 0.432 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)NC[C@@H]1CC12CCOCC2 ZINC000681816320 493221263 /nfs/dbraw/zinc/22/12/63/493221263.db2.gz MPSSUNLQUXQZOR-AAEUAGOBSA-N -1 3 371.459 0.891 10 0 FCAEHM O=C([O-])C1(CNC(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)CCC1 ZINC000659668955 493242008 /nfs/dbraw/zinc/24/20/08/493242008.db2.gz OMYCTBCSALIPHW-AWEZNQCLSA-N -1 3 351.447 0.834 10 0 FCAEHM Cn1nnnc1CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000672811854 493254590 /nfs/dbraw/zinc/25/45/90/493254590.db2.gz NANLYKYMJLUYTQ-UHFFFAOYSA-N -1 3 353.301 0.889 10 0 FCAEHM O=C(Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1)N1CC(F)(F)C[C@@H]1CO ZINC000682053395 493265609 /nfs/dbraw/zinc/26/56/09/493265609.db2.gz JCZCWVZYTGXJAH-NEPJUHHUSA-N -1 3 368.340 0.671 10 0 FCAEHM COCC(COC)S(=O)(=O)[N-]Cc1c(Br)cnn1C ZINC000641639542 493268876 /nfs/dbraw/zinc/26/88/76/493268876.db2.gz CAOMIGYSCCIVCS-UHFFFAOYSA-N -1 3 356.242 0.263 10 0 FCAEHM NCc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCC[C@]3(CC=CCC3)C2)n1 ZINC000659748183 493284469 /nfs/dbraw/zinc/28/44/69/493284469.db2.gz POKOYOSCFGHIRP-GOSISDBHSA-N -1 3 359.430 0.606 10 0 FCAEHM O=S(=O)([N-]CCC1CS(=O)(=O)C1)c1cnccc1C(F)(F)F ZINC000682488988 493303460 /nfs/dbraw/zinc/30/34/60/493303460.db2.gz RYFMYIKGCKAJJS-UHFFFAOYSA-N -1 3 358.363 0.813 10 0 FCAEHM COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)[N-]C1(CO)CC1 ZINC000659934788 493305503 /nfs/dbraw/zinc/30/55/03/493305503.db2.gz GGGYQYQTRZHFGZ-UHFFFAOYSA-N -1 3 362.835 0.854 10 0 FCAEHM CCc1nc(S(=O)(=O)[N-]CC(=O)Nc2ccn(C)n2)cn1CC1CC1 ZINC000659955954 493307446 /nfs/dbraw/zinc/30/74/46/493307446.db2.gz VYQWMJMQFDAROY-UHFFFAOYSA-N -1 3 366.447 0.506 10 0 FCAEHM CC(C)(C(=O)NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)n1cccn1 ZINC000667894210 493307725 /nfs/dbraw/zinc/30/77/25/493307725.db2.gz MBSZPPHTOWEXQO-GOSISDBHSA-N -1 3 355.398 0.989 10 0 FCAEHM COc1cc(C[N-]S(=O)(=O)Cc2cccc(S(C)(=O)=O)c2)on1 ZINC000660010717 493314666 /nfs/dbraw/zinc/31/46/66/493314666.db2.gz LHUAMVJENNOBMF-UHFFFAOYSA-N -1 3 360.413 0.706 10 0 FCAEHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@H]2COC[C@@H]2C1 ZINC000660078576 493322376 /nfs/dbraw/zinc/32/23/76/493322376.db2.gz JRXJAOAFJDZWBP-OLZOCXBDSA-N -1 3 374.484 0.642 10 0 FCAEHM CC(C)OCCS(=O)(=O)[N-]CC(=O)Nc1cnn(-c2ccncc2)c1 ZINC000673905838 493372547 /nfs/dbraw/zinc/37/25/47/493372547.db2.gz JCVUGIUZYCWBHK-UHFFFAOYSA-N -1 3 367.431 0.550 10 0 FCAEHM Cc1nc(NC(=O)c2cc(-c3ccco3)[n-]n2)c(C(=O)NCCO)n1C ZINC000683906856 493377832 /nfs/dbraw/zinc/37/78/32/493377832.db2.gz UEEYAZBPIVMUOF-UHFFFAOYSA-N -1 3 358.358 0.686 10 0 FCAEHM Cc1nc(NC(=O)c2cc(-c3ccco3)n[n-]2)c(C(=O)NCCO)n1C ZINC000683906856 493377835 /nfs/dbraw/zinc/37/78/35/493377835.db2.gz UEEYAZBPIVMUOF-UHFFFAOYSA-N -1 3 358.358 0.686 10 0 FCAEHM CN(C)C[C@@]1(O)CCCN(C(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)C1 ZINC000684174386 493398518 /nfs/dbraw/zinc/39/85/18/493398518.db2.gz AZTOSWYOHUFSGM-INIZCTEOSA-N -1 3 373.450 0.726 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)N2CC(C)(F)C2)cc1OC ZINC000684306690 493405477 /nfs/dbraw/zinc/40/54/77/493405477.db2.gz MGNKXDJQWQCEHY-UHFFFAOYSA-N -1 3 373.406 0.966 10 0 FCAEHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)CCN2CCCS2(=O)=O)c1 ZINC000674604624 493432187 /nfs/dbraw/zinc/43/21/87/493432187.db2.gz CDJZSMUJGLKBIB-UHFFFAOYSA-N -1 3 355.416 0.458 10 0 FCAEHM CN(C)S(=O)(=O)c1ccc(CN2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1 ZINC000662218966 493497143 /nfs/dbraw/zinc/49/71/43/493497143.db2.gz GTHSAUJGBPSOME-CZUORRHYSA-N -1 3 354.428 0.470 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NC[C@@](C)(O)CCC(C)C ZINC000685761677 493512759 /nfs/dbraw/zinc/51/27/59/493512759.db2.gz WHCAPQALEWIJIZ-HNNXBMFYSA-N -1 3 361.464 0.873 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)[C@H]1CN(C)CCO1 ZINC000676238119 493532940 /nfs/dbraw/zinc/53/29/40/493532940.db2.gz DXYMDZISHCXEKF-NWDGAFQWSA-N -1 3 362.473 0.088 10 0 FCAEHM NCc1cc(=O)[n-]c(CNC(=O)CN2C(=O)CSc3ccccc32)n1 ZINC000662752089 493537597 /nfs/dbraw/zinc/53/75/97/493537597.db2.gz GXSYUDDKUQMUIN-UHFFFAOYSA-N -1 3 359.411 0.396 10 0 FCAEHM NCc1cc(=O)[n-]c(CNC(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)n1 ZINC000662753374 493538274 /nfs/dbraw/zinc/53/82/74/493538274.db2.gz PXSXGYVWDBHWEP-STQMWFEESA-N -1 3 356.382 0.832 10 0 FCAEHM NCc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)n1 ZINC000662753372 493538531 /nfs/dbraw/zinc/53/85/31/493538531.db2.gz PXSXGYVWDBHWEP-QWHCGFSZSA-N -1 3 356.382 0.832 10 0 FCAEHM COc1ccc(NC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)c(C(F)(F)F)n1 ZINC000669988093 493538727 /nfs/dbraw/zinc/53/87/27/493538727.db2.gz URFOKLPMMJMXJO-MRVPVSSYSA-N -1 3 373.291 0.877 10 0 FCAEHM C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])[C@H]1CN(C)CCO1 ZINC000676349202 493546858 /nfs/dbraw/zinc/54/68/58/493546858.db2.gz VJIGLIHYVDVYIO-JLJPHGGASA-N -1 3 361.442 0.832 10 0 FCAEHM CN(CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C1 ZINC000662913489 493552716 /nfs/dbraw/zinc/55/27/16/493552716.db2.gz LKVNSFKNGKOCRP-SJORKVTESA-N -1 3 373.453 0.695 10 0 FCAEHM NCc1cc(=O)[n-]c(CNC(=O)[C@H]2CSCN2C(=O)C2CCCC2)n1 ZINC000662945980 493559220 /nfs/dbraw/zinc/55/92/20/493559220.db2.gz LRUCIQPTXIGMHL-GFCCVEGCSA-N -1 3 365.459 0.349 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-][C@@H](CO)c2cc(F)ccc2F)C[C@@H](C)O1 ZINC000676848395 493574349 /nfs/dbraw/zinc/57/43/49/493574349.db2.gz FPSDXWUGPPEVHF-RULNRJAQSA-N -1 3 350.387 0.942 10 0 FCAEHM CN(C)Cc1cccc(CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)c1 ZINC000663619462 493605051 /nfs/dbraw/zinc/60/50/51/493605051.db2.gz DCPMQZAXIFLLQV-MRXNPFEDSA-N -1 3 361.442 0.982 10 0 FCAEHM C[C@H](CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1)N1CCC(C)CC1 ZINC000663620974 493605084 /nfs/dbraw/zinc/60/50/84/493605084.db2.gz SRLIAOCPVDQNDM-UKRRQHHQSA-N -1 3 353.463 0.840 10 0 FCAEHM CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663631327 493606822 /nfs/dbraw/zinc/60/68/22/493606822.db2.gz YTZTVGGPUGEZTB-ZIAGYGMSSA-N -1 3 353.463 0.840 10 0 FCAEHM CC(C)(C)N1CCCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)CC1 ZINC000663633449 493607440 /nfs/dbraw/zinc/60/74/40/493607440.db2.gz HOUJIGCOSCNHKY-AWEZNQCLSA-N -1 3 353.463 0.936 10 0 FCAEHM C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663632991 493607482 /nfs/dbraw/zinc/60/74/82/493607482.db2.gz BQNYITORAQUQDC-NFAWXSAZSA-N -1 3 353.463 0.983 10 0 FCAEHM CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663633072 493607506 /nfs/dbraw/zinc/60/75/06/493607506.db2.gz NXCJSRSSTLAVML-CABCVRRESA-N -1 3 369.462 0.173 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCc2sc(Br)cc2C1 ZINC000677921818 493624183 /nfs/dbraw/zinc/62/41/83/493624183.db2.gz KWTRFVQECPPUJY-ZETCQYMHSA-N -1 3 358.217 0.993 10 0 FCAEHM C[C@@]1(c2ccc(CNC(=O)N[C@@H](CO)C3CCC3)cc2)NC(=O)[N-]C1=O ZINC000663919371 493625935 /nfs/dbraw/zinc/62/59/35/493625935.db2.gz NNDSWLJYXJPAJF-KSSFIOAISA-N -1 3 360.414 0.701 10 0 FCAEHM C[C@@H]1CC[C@H](NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)CS1(=O)=O ZINC000664367990 493656146 /nfs/dbraw/zinc/65/61/46/493656146.db2.gz CJNGYTNBKHVANW-SCZZXKLOSA-N -1 3 351.384 0.657 10 0 FCAEHM C[C@H]1CCN(S(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)C[C@@H]1F ZINC000679203174 493672237 /nfs/dbraw/zinc/67/22/37/493672237.db2.gz ZZIPYMAGQNAZQV-KWQFWETISA-N -1 3 356.379 0.403 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CCC(OCCO)CC1 ZINC000679643728 493690568 /nfs/dbraw/zinc/69/05/68/493690568.db2.gz JSGARSKXBAHCCK-INIZCTEOSA-N -1 3 362.426 0.997 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC[C@@H](OC(F)F)C2)cn1C ZINC000679668671 493691451 /nfs/dbraw/zinc/69/14/51/493691451.db2.gz XWHHORXGXGBVQQ-SNVBAGLBSA-N -1 3 366.390 0.237 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCCCC[C@@H]2CCO)cn1C ZINC000671900017 493712128 /nfs/dbraw/zinc/71/21/28/493712128.db2.gz YVEUYUMTBGMNDK-CYBMUJFWSA-N -1 3 358.464 0.160 10 0 FCAEHM COC[C@@H](CCNC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)OC ZINC000665521258 493720890 /nfs/dbraw/zinc/72/08/90/493720890.db2.gz OTOSHJZVNKUNOC-MRXNPFEDSA-N -1 3 365.430 0.911 10 0 FCAEHM CCNC(=O)c1ccc(NCc2ccc(S(=O)(=O)[N-]C)s2)nn1 ZINC000665695094 493730173 /nfs/dbraw/zinc/73/01/73/493730173.db2.gz VVNNKFRUKZENHB-UHFFFAOYSA-N -1 3 355.445 0.808 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CCOc2ncccc2C1 ZINC000680839046 493731377 /nfs/dbraw/zinc/73/13/77/493731377.db2.gz HSBNWFFXAKYGOC-UHFFFAOYSA-N -1 3 353.425 0.843 10 0 FCAEHM COC[C@](C)(CO)NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000681075802 493743349 /nfs/dbraw/zinc/74/33/49/493743349.db2.gz XNLKHDHJPXFWRJ-SFHVURJKSA-N -1 3 360.414 0.587 10 0 FCAEHM O=C(NCC(F)(F)c1cccc(F)c1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000665954521 493746528 /nfs/dbraw/zinc/74/65/28/493746528.db2.gz BSEODBZKEDKMOT-LLVKDONJSA-N -1 3 356.304 0.863 10 0 FCAEHM CC(C)(C)N1C[C@@H]([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)CC1=O ZINC000331032063 526296211 /nfs/dbraw/zinc/29/62/11/526296211.db2.gz UPGYSGRSXBZIEI-NSHDSACASA-N -1 3 374.484 0.768 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000275745004 526720263 /nfs/dbraw/zinc/72/02/63/526720263.db2.gz VTEWGIKVPHZWHM-ZDUSSCGKSA-N -1 3 373.413 0.213 10 0 FCAEHM CCOC(=O)[C@H]1CN(Cc2c([O-])nnn2-c2ccccc2)CC12COC2 ZINC000412988908 528080924 /nfs/dbraw/zinc/08/09/24/528080924.db2.gz MKRZDJCIGIRION-CQSZACIVSA-N -1 3 358.398 0.984 10 0 FCAEHM CCOC(=O)C1(O)CCN(C(=O)c2cc(NC(C)=O)ccc2[O-])CC1 ZINC000436788304 535587211 /nfs/dbraw/zinc/58/72/11/535587211.db2.gz WWWKDSBIYGBPQO-UHFFFAOYSA-N -1 3 350.371 0.881 10 0 FCAEHM COC(=O)CNC(=O)C[N-]S(=O)(=O)c1cc2cccc(C)c2s1 ZINC000592010393 546604533 /nfs/dbraw/zinc/60/45/33/546604533.db2.gz KJQOSZSWCYZANF-UHFFFAOYSA-N -1 3 356.425 0.777 10 0 FCAEHM COC(=O)c1ncccc1S(=O)(=O)[N-]CC(C)(C)[C@@]1(O)CCOC1 ZINC000592085048 546607569 /nfs/dbraw/zinc/60/75/69/546607569.db2.gz BRRNISYHLTWDIW-OAHLLOKOSA-N -1 3 358.416 0.324 10 0 FCAEHM CN(CC1CC1)S(=O)(=O)[N-][C@@H](C(=O)OC(C)(C)C)c1ccnn1C ZINC000592106606 546608720 /nfs/dbraw/zinc/60/87/20/546608720.db2.gz WZJIFRCQZWMRGS-CYBMUJFWSA-N -1 3 358.464 0.979 10 0 FCAEHM COC(=O)c1cc([N-]S(=O)(=O)C[C@@H](OC)C2CCOCC2)cn1C ZINC000592352278 546629898 /nfs/dbraw/zinc/62/98/98/546629898.db2.gz ZSEQUGOIAMGTMJ-CQSZACIVSA-N -1 3 360.432 0.995 10 0 FCAEHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)Cn2cncn2)c(F)c1 ZINC000593543656 546712095 /nfs/dbraw/zinc/71/20/95/546712095.db2.gz LEGHVMPQSKOYMO-JTQLQIEISA-N -1 3 356.379 0.961 10 0 FCAEHM COC(=O)[C@@H](CCF)[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000593632982 546724670 /nfs/dbraw/zinc/72/46/70/546724670.db2.gz ZGDOCCGWEZHIOD-SNVBAGLBSA-N -1 3 352.409 0.564 10 0 FCAEHM Cn1nccc1[C@H]([N-]S(=O)(=O)N1CCCOCC1)C(=O)OC(C)(C)C ZINC000593613817 546727475 /nfs/dbraw/zinc/72/74/75/546727475.db2.gz QSUGFXQTLQATKF-ZDUSSCGKSA-N -1 3 374.463 0.360 10 0 FCAEHM COC(=O)[C@H](CCF)[N-]S(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 ZINC000593637581 546732920 /nfs/dbraw/zinc/73/29/20/546732920.db2.gz YTUIDISBBKDGIO-JTQLQIEISA-N -1 3 352.771 0.618 10 0 FCAEHM CCN1C[C@@H](C[N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1=O ZINC000593639955 546733719 /nfs/dbraw/zinc/73/37/19/546733719.db2.gz APVJMDYGFCADAB-LLVKDONJSA-N -1 3 358.416 0.830 10 0 FCAEHM COCCN1CC[C@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000593913444 546768318 /nfs/dbraw/zinc/76/83/18/546768318.db2.gz LZQPFSZWMDHJGA-STQMWFEESA-N -1 3 373.450 0.329 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]C[C@](C)(O)C(=O)OC(C)(C)C)[C@@H]1CCOC1 ZINC000594767322 546821699 /nfs/dbraw/zinc/82/16/99/546821699.db2.gz DEZRNUQIDRZCQD-JMSVASOKSA-N -1 3 367.464 0.050 10 0 FCAEHM COCc1nc(C[N-]S(=O)(=O)c2cccc(F)c2C(=O)OC)n[nH]1 ZINC000594827648 546838386 /nfs/dbraw/zinc/83/83/86/546838386.db2.gz LKZDHKYQYCHIEA-UHFFFAOYSA-N -1 3 358.351 0.355 10 0 FCAEHM CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000286258269 546873030 /nfs/dbraw/zinc/87/30/30/546873030.db2.gz KWZYRVPBZGYRFR-LLVKDONJSA-N -1 3 365.411 0.066 10 0 FCAEHM COC[C@@H]1CCN1C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000458719983 546929112 /nfs/dbraw/zinc/92/91/12/546929112.db2.gz DYXWLSCXJOBMHT-NSHDSACASA-N -1 3 363.386 0.673 10 0 FCAEHM COc1ccc([C@H](C)NC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)cc1F ZINC000546118970 547038194 /nfs/dbraw/zinc/03/81/94/547038194.db2.gz XUQGMTLJSVPBAI-JOYOIKCWSA-N -1 3 350.350 0.841 10 0 FCAEHM CN(C)c1nc(C(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)cc(=O)[n-]1 ZINC000546619839 547043478 /nfs/dbraw/zinc/04/34/78/547043478.db2.gz FLDGFHHCNVUVLY-SECBINFHSA-N -1 3 366.403 0.057 10 0 FCAEHM COc1cc(=NC(=O)CS[C@@H](C)C(=O)Nc2cc(C)on2)[n-]n1C ZINC000548472359 547060695 /nfs/dbraw/zinc/06/06/95/547060695.db2.gz BAXCRIXOTKWAFO-VIFPVBQESA-N -1 3 353.404 0.268 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NC[C@@H](NCc1ccccc1)C(F)(F)F ZINC000552400685 547206439 /nfs/dbraw/zinc/20/64/39/547206439.db2.gz FTIXVMLNSREUPK-WDEREUQCSA-N -1 3 358.320 0.421 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NC[C@H](NCc1ccccc1)C(F)(F)F ZINC000552400684 547206785 /nfs/dbraw/zinc/20/67/85/547206785.db2.gz FTIXVMLNSREUPK-QWRGUYRKSA-N -1 3 358.320 0.421 10 0 FCAEHM CS(=O)(=O)N1CCCC[C@H]1CNC(=O)c1cc(F)cc2nn[n-]c21 ZINC000553248888 547262881 /nfs/dbraw/zinc/26/28/81/547262881.db2.gz LSFBOAQGGAHLIF-JTQLQIEISA-N -1 3 355.395 0.641 10 0 FCAEHM CS(=O)(=O)N1CCCC[C@H]1CNC(=O)c1cc(F)cc2[n-]nnc21 ZINC000553248888 547262883 /nfs/dbraw/zinc/26/28/83/547262883.db2.gz LSFBOAQGGAHLIF-JTQLQIEISA-N -1 3 355.395 0.641 10 0 FCAEHM CS(=O)(=O)N1CCCC[C@H]1CNC(=O)c1cc(F)cc2n[n-]nc21 ZINC000553248888 547262886 /nfs/dbraw/zinc/26/28/86/547262886.db2.gz LSFBOAQGGAHLIF-JTQLQIEISA-N -1 3 355.395 0.641 10 0 FCAEHM O=C(CSCC(=O)N1CCOCC1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898205657 665806844 /nfs/dbraw/zinc/80/68/44/665806844.db2.gz PROVHUFGBGYFMF-LLVKDONJSA-N -1 3 354.432 0.023 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CCCN2CCOCC2)c(Br)n1 ZINC000866379395 665831801 /nfs/dbraw/zinc/83/18/01/665831801.db2.gz NUBUXIAYVNIJJG-UHFFFAOYSA-N -1 3 367.269 0.183 10 0 FCAEHM CC[C@@](C)(O)C[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866837853 663136572 /nfs/dbraw/zinc/13/65/72/663136572.db2.gz GWLIUFBFEQWGML-SECBINFHSA-N -1 3 373.216 0.464 10 0 FCAEHM Cn1cc(CNC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)nn1 ZINC000092109810 663140770 /nfs/dbraw/zinc/14/07/70/663140770.db2.gz YURJBTUPLIWEMF-UHFFFAOYSA-N -1 3 369.422 0.961 10 0 FCAEHM CCOC(=O)[C@H](C(=O)N1CCN(c2nc(C)cc(=O)[n-]2)CC1)C(C)C ZINC000899493382 665942840 /nfs/dbraw/zinc/94/28/40/665942840.db2.gz HXVAIGRPYOYNGF-AWEZNQCLSA-N -1 3 350.419 0.975 10 0 FCAEHM CC(=O)N1CSC[C@H]1C(=O)N1CCN(c2nc(C)cc(=O)[n-]2)CC1 ZINC000899500444 665943394 /nfs/dbraw/zinc/94/33/94/665943394.db2.gz IKKDMTZKAKYYQI-LBPRGKRZSA-N -1 3 351.432 0.061 10 0 FCAEHM CC(C)[C@@H](O)C[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866854895 663466416 /nfs/dbraw/zinc/46/64/16/663466416.db2.gz KNNMLFXVLLSCIA-ZETCQYMHSA-N -1 3 373.216 0.320 10 0 FCAEHM C[C@@]1(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)CCCS1(=O)=O ZINC000906990884 666086608 /nfs/dbraw/zinc/08/66/08/666086608.db2.gz HOYLUOUKHOJUFC-KRWDZBQOSA-N -1 3 366.439 0.644 10 0 FCAEHM COC(=O)[C@@H](O)C[N-]C(=O)C(F)(F)c1ncccc1Br ZINC000907160130 666105383 /nfs/dbraw/zinc/10/53/83/666105383.db2.gz AWAUZCSZUZNIBF-ZETCQYMHSA-N -1 3 353.119 0.586 10 0 FCAEHM C/C=C/[C@H](O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000908001014 666173273 /nfs/dbraw/zinc/17/32/73/666173273.db2.gz IWQTWWSAIUENLN-VUDBWIFFSA-N -1 3 350.799 0.811 10 0 FCAEHM CN1CCOC[C@]1(CO)C[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000921339755 666437144 /nfs/dbraw/zinc/43/71/44/666437144.db2.gz LFXNNIZMUQTTRT-CYBMUJFWSA-N -1 3 352.815 0.451 10 0 FCAEHM CO[C@@]1(C[N-]S(=O)(=O)c2ccc(C)c(F)c2F)CCS(=O)(=O)C1 ZINC000921466725 666449723 /nfs/dbraw/zinc/44/97/23/666449723.db2.gz HFUUQSKIIAJUND-CYBMUJFWSA-N -1 3 369.411 0.755 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CC1(C2(O)CCOCC2)CC1 ZINC000921444359 666453346 /nfs/dbraw/zinc/45/33/46/666453346.db2.gz ASHJPHRDHFREOX-UHFFFAOYSA-N -1 3 363.867 0.982 10 0 FCAEHM CN=[S@](C)(=O)CCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000912789315 666477247 /nfs/dbraw/zinc/47/72/47/666477247.db2.gz GHQNHEBLXPYUQX-YEBMWUKDSA-N -1 3 353.444 0.841 10 0 FCAEHM COc1cccc([O-])c1C(=O)NC[C@@]1(CO)COCC2(CCC2)N1C ZINC000912992860 666490553 /nfs/dbraw/zinc/49/05/53/666490553.db2.gz NKMDOTCZFZGDNX-GOSISDBHSA-N -1 3 350.415 0.746 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CC(c2ccccn2)C1 ZINC000913372534 666523723 /nfs/dbraw/zinc/52/37/23/666523723.db2.gz HYCQODCVTPJOOU-UHFFFAOYSA-N -1 3 365.187 0.732 10 0 FCAEHM CC[C@H]([N-]S(=O)(=O)c1cnn2c1OCC(C)(C)C2)[C@@H](O)C(F)F ZINC000916033590 666988740 /nfs/dbraw/zinc/98/87/40/666988740.db2.gz ZMROAHVMZTVDAN-WCBMZHEXSA-N -1 3 353.391 0.985 10 0 FCAEHM CC[S@@](=O)CCNC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000735109931 667005382 /nfs/dbraw/zinc/00/53/82/667005382.db2.gz HIBZJYGGUNCBRH-XMMPIXPASA-N -1 3 353.444 0.628 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2CN3CCN2CCC3)c(F)c1 ZINC000917061041 667050118 /nfs/dbraw/zinc/05/01/18/667050118.db2.gz BWBHREIOQCFWJA-CYBMUJFWSA-N -1 3 371.434 0.281 10 0 FCAEHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C1CC(N2CCOCC2)C1 ZINC000918301231 667109547 /nfs/dbraw/zinc/10/95/47/667109547.db2.gz NWFPEQDKXWTOCD-UHFFFAOYSA-N -1 3 372.418 0.754 10 0 FCAEHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000921612944 667143951 /nfs/dbraw/zinc/14/39/51/667143951.db2.gz OMBQYTUWHRPITL-FOGDFJRCSA-N -1 3 359.375 0.695 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-][C@H](CO)CN2CCOCC2)c(F)c1F ZINC000918971404 667147596 /nfs/dbraw/zinc/14/75/96/667147596.db2.gz LOKIJQOGKHZZLD-NSHDSACASA-N -1 3 350.387 0.245 10 0 FCAEHM O=S(=O)([N-][C@@H](CO)CN1CCOCC1)c1cc(Cl)ccc1Cl ZINC000918988882 667149091 /nfs/dbraw/zinc/14/90/91/667149091.db2.gz NIZOGIMJANQNFF-LLVKDONJSA-N -1 3 369.270 0.965 10 0 FCAEHM O=S(=O)([N-][C@@H](CO)CN1CCOCC1)c1ccc(Cl)cc1F ZINC000918989923 667149422 /nfs/dbraw/zinc/14/94/22/667149422.db2.gz WHAOMLVYAFCDFY-LLVKDONJSA-N -1 3 352.815 0.451 10 0 FCAEHM O=S(=O)([N-][C@@H](CO)CN1CCOCC1)c1cnc(Cl)c(Cl)c1 ZINC000918989768 667149504 /nfs/dbraw/zinc/14/95/04/667149504.db2.gz UILZEKIILODGKH-SECBINFHSA-N -1 3 370.258 0.360 10 0 FCAEHM CN(C)[C@H](CC[N-]S(=O)(=O)c1cnn2c1OCCC2)C(F)(F)F ZINC000921631676 667158129 /nfs/dbraw/zinc/15/81/29/667158129.db2.gz DLZYWPPAJGOPSN-SNVBAGLBSA-N -1 3 356.370 0.827 10 0 FCAEHM CN(C)[C@@H](CC[N-]S(=O)(=O)c1cnn2c1OCCC2)C(F)(F)F ZINC000921631675 667158244 /nfs/dbraw/zinc/15/82/44/667158244.db2.gz DLZYWPPAJGOPSN-JTQLQIEISA-N -1 3 356.370 0.827 10 0 FCAEHM COc1cc(F)c(S(=O)(=O)[N-][C@H]2C[C@H](S(C)(=O)=O)C2)cc1F ZINC000919788548 667200568 /nfs/dbraw/zinc/20/05/68/667200568.db2.gz IFYASGHMIQLXFC-ZKCHVHJHSA-N -1 3 355.384 0.827 10 0 FCAEHM COC(=O)/C(C)=C/C[N-]S(=O)(=O)c1cnn(C)c1Br ZINC000921221385 667273246 /nfs/dbraw/zinc/27/32/46/667273246.db2.gz OZBAZWLEKHAAOC-QPJJXVBHSA-N -1 3 352.210 0.580 10 0 FCAEHM CCN(C(=O)C[N-]S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1)c1ccccc1 ZINC000921004279 667264437 /nfs/dbraw/zinc/26/44/37/667264437.db2.gz ZZUFDFXPJDISCD-HNNXBMFYSA-N -1 3 365.455 0.722 10 0 FCAEHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CC[C@H]1CC(=O)N(C)C1 ZINC000921067706 667264858 /nfs/dbraw/zinc/26/48/58/667264858.db2.gz GJMAALQDLSHAIH-JTQLQIEISA-N -1 3 358.391 0.759 10 0 FCAEHM CN(C)Cc1csc(C[N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)n1 ZINC000921105177 667268881 /nfs/dbraw/zinc/26/88/81/667268881.db2.gz OTLDNVJAVGYHIK-GFCCVEGCSA-N -1 3 371.488 0.841 10 0 FCAEHM COCCN(C)S(=O)(=O)[C@H]1CCCN(Cc2nc(C)cc(=O)[n-]2)C1 ZINC000753785940 667566320 /nfs/dbraw/zinc/56/63/20/667566320.db2.gz PNOKOEKWKLGEAW-ZDUSSCGKSA-N -1 3 358.464 0.363 10 0 FCAEHM Cn1cc([C@@H](CO)[N-]S(=O)(=O)c2c(Cl)nc3ccccn32)cn1 ZINC000756975534 667694074 /nfs/dbraw/zinc/69/40/74/667694074.db2.gz HWISSZMANODDMO-SNVBAGLBSA-N -1 3 355.807 0.733 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-][C@]2(C)CCOC2)c1I ZINC000867014602 667702123 /nfs/dbraw/zinc/70/21/23/667702123.db2.gz ILNDTJNSHWAAJV-SECBINFHSA-N -1 3 371.200 0.482 10 0 FCAEHM COC(=O)[C@@H](CF)[N-]S(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl ZINC000805136854 667719980 /nfs/dbraw/zinc/71/99/80/667719980.db2.gz ASOKAUAPPNXCOZ-SNVBAGLBSA-N -1 3 366.798 0.831 10 0 FCAEHM O=C(NCCc1nnc[nH]1)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000759219728 667798057 /nfs/dbraw/zinc/79/80/57/667798057.db2.gz RYYWQIFETCMQQN-UHFFFAOYSA-N -1 3 371.369 0.496 10 0 FCAEHM O=C([N-]OCC(F)F)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000760146938 667838217 /nfs/dbraw/zinc/83/82/17/667838217.db2.gz LNNDCZUEQKNBGW-GMTAPVOTSA-N -1 3 368.402 0.409 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NCc2cnn(C)n2)ccc1F ZINC000805212571 667866982 /nfs/dbraw/zinc/86/69/82/667866982.db2.gz MZINWQSDFIVNPO-UHFFFAOYSA-N -1 3 355.395 0.571 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)Nc1nc2cc[nH]cc-2n1 ZINC000760954974 667869652 /nfs/dbraw/zinc/86/96/52/667869652.db2.gz VFMKKAQKXKHOCE-UHFFFAOYSA-N -1 3 365.147 0.621 10 0 FCAEHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2(CC(N)=O)CCC2)c1F ZINC000762387517 667914432 /nfs/dbraw/zinc/91/44/32/667914432.db2.gz WRYGQJSKNBJIGB-UHFFFAOYSA-N -1 3 362.354 0.828 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](NC(N)=O)C2)ccc1F ZINC000762752234 667929500 /nfs/dbraw/zinc/92/95/00/667929500.db2.gz SHPQIVCXBPSMGR-NSHDSACASA-N -1 3 372.422 0.395 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)OCc2nnnn2C(C)(C)C)c(C)o1 ZINC000766214014 668024532 /nfs/dbraw/zinc/02/45/32/668024532.db2.gz LRKZHYKACZUZFJ-UHFFFAOYSA-N -1 3 357.392 0.595 10 0 FCAEHM O=C(O[C@H]1CCCNC1=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000767280342 668048905 /nfs/dbraw/zinc/04/89/05/668048905.db2.gz GZYAAMZLOUWNOL-LBPRGKRZSA-N -1 3 356.375 0.702 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)O[C@H]2CCCNC2=O)ccc1F ZINC000767281319 668048924 /nfs/dbraw/zinc/04/89/24/668048924.db2.gz YSRTXDITJBUDCM-LBPRGKRZSA-N -1 3 358.391 0.948 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2CCO)ccc1F ZINC000769053342 668112115 /nfs/dbraw/zinc/11/21/15/668112115.db2.gz DYKQWEWTGXPDPR-ZDUSSCGKSA-N -1 3 374.434 0.736 10 0 FCAEHM CC(C)[C@H](O)CNC(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000771604045 668261134 /nfs/dbraw/zinc/26/11/34/668261134.db2.gz ZAHKBHFZONBVJT-GHMZBOCLSA-N -1 3 363.867 0.925 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCC(=O)NC2=O)ccc1F ZINC000772718268 668324133 /nfs/dbraw/zinc/32/41/33/668324133.db2.gz QGBMMWBZKIYTOB-NSHDSACASA-N -1 3 371.390 0.047 10 0 FCAEHM COC(=O)C(=O)[C@H](C)OC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000778309858 668361030 /nfs/dbraw/zinc/36/10/30/668361030.db2.gz XBZVBUNRKBMCAL-LURJTMIESA-N -1 3 369.804 0.354 10 0 FCAEHM CC[C@H](C(=O)[N-]S(=O)(=O)c1scnc1C(=O)OC)N(CC)CC ZINC000778725942 668384284 /nfs/dbraw/zinc/38/42/84/668384284.db2.gz WWAQFWKZMYPFAJ-SECBINFHSA-N -1 3 363.461 0.855 10 0 FCAEHM CN(C)S(=O)(=O)CCC(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000784661129 668668696 /nfs/dbraw/zinc/66/86/96/668668696.db2.gz QNDLNSROEVQRMF-UHFFFAOYSA-N -1 3 355.372 0.767 10 0 FCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000785310012 668705182 /nfs/dbraw/zinc/70/51/82/668705182.db2.gz QWUAZVOAJGEDEB-DTWKUNHWSA-N -1 3 363.823 0.470 10 0 FCAEHM CNS(=O)(=O)CCCN1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805788614 668734481 /nfs/dbraw/zinc/73/44/81/668734481.db2.gz PXMSHFSQWMRQCW-DCAQKATOSA-N -1 3 359.414 0.703 10 0 FCAEHM C[C@H](CC(=O)N[C@H]1[C@@H]2COC[C@@H]21)[N-]S(=O)(=O)c1cccnc1Cl ZINC000794228181 668945719 /nfs/dbraw/zinc/94/57/19/668945719.db2.gz VYVHZDZVVCATHQ-DNJQJEMRSA-N -1 3 359.835 0.553 10 0 FCAEHM Cc1cc(COC(=O)c2ccc(S(=O)(=O)[N-]CCO)s2)ncn1 ZINC000795428825 669033237 /nfs/dbraw/zinc/03/32/37/669033237.db2.gz BWNWBVAMGQCYPH-UHFFFAOYSA-N -1 3 357.413 0.474 10 0 FCAEHM NS(=O)(=O)c1ccc(=N[N-]S(=O)(=O)C=Cc2ccccc2F)[nH]c1 ZINC000799915801 669323819 /nfs/dbraw/zinc/32/38/19/669323819.db2.gz HJLZYKDAIJKZFA-BQYQJAHWSA-N -1 3 372.403 0.785 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCc2cnn(C)n2)cc1OC ZINC000806226178 669399355 /nfs/dbraw/zinc/39/93/55/669399355.db2.gz JODGCHVIUDGYPW-UHFFFAOYSA-N -1 3 368.419 0.907 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]N1C(=O)N[C@@](C)(c2ccccc2)C1=O)C1CC1 ZINC000827523474 669575333 /nfs/dbraw/zinc/57/53/33/669575333.db2.gz FBGFTQYLCYITNE-CJNGLKHVSA-N -1 3 367.427 0.713 10 0 FCAEHM CCN(OC)C(=O)C[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000828174289 669622812 /nfs/dbraw/zinc/62/28/12/669622812.db2.gz OJUSBBIALRKLQH-UHFFFAOYSA-N -1 3 352.210 0.532 10 0 FCAEHM CCN(OC)C(=O)C[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC ZINC000828174841 669623513 /nfs/dbraw/zinc/62/35/13/669623513.db2.gz WDFAXEQDRQSWIK-UHFFFAOYSA-N -1 3 364.807 0.815 10 0 FCAEHM CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000812276242 669794464 /nfs/dbraw/zinc/79/44/64/669794464.db2.gz ZAYCGMYIPKGFAC-GHMZBOCLSA-N -1 3 367.393 0.825 10 0 FCAEHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@H]2CCCCN2CCO)c1 ZINC000831805418 669868427 /nfs/dbraw/zinc/86/84/27/669868427.db2.gz WYCNDRSNMIPVFX-CYBMUJFWSA-N -1 3 374.434 0.737 10 0 FCAEHM CC(C)OCC[N-]S(=O)(=O)c1cnn(C)c1I ZINC000867100908 669938616 /nfs/dbraw/zinc/93/86/16/669938616.db2.gz PRZSGKGMTXIPMM-UHFFFAOYSA-N -1 3 373.216 0.728 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-]CCC(C)(C)O)c1I ZINC000867124572 670001894 /nfs/dbraw/zinc/00/18/94/670001894.db2.gz ONPGSSCNKNHYNB-UHFFFAOYSA-N -1 3 373.216 0.464 10 0 FCAEHM CCOC[C@H](C)[N-]S(=O)(=O)c1cnn(C)c1I ZINC000867130559 670007111 /nfs/dbraw/zinc/00/71/11/670007111.db2.gz KXANVYPOBDUQSX-ZETCQYMHSA-N -1 3 373.216 0.728 10 0 FCAEHM CCN(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867175785 670050504 /nfs/dbraw/zinc/05/05/04/670050504.db2.gz KNVUJNWTMCZGCS-ZETCQYMHSA-N -1 3 353.242 0.328 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-]CC2(C)OCCCO2)c1Br ZINC000867186659 670054845 /nfs/dbraw/zinc/05/48/45/670054845.db2.gz HVEPFVNGBVAFRU-UHFFFAOYSA-N -1 3 354.226 0.614 10 0 FCAEHM CC(C)(C)OC(=O)N1CC(S(=O)(=O)[N-]CC2(C)OCCCO2)C1 ZINC000867185501 670056507 /nfs/dbraw/zinc/05/65/07/670056507.db2.gz ATLBBGRTOLULGZ-UHFFFAOYSA-N -1 3 350.437 0.678 10 0 FCAEHM C[C@H](CC(=O)N1CC(C)(CO)C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000836872424 670066014 /nfs/dbraw/zinc/06/60/14/670066014.db2.gz BOOLXEYXPGGAEA-SNVBAGLBSA-N -1 3 361.851 0.633 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@H](CO)C2CCOCC2)c(Br)n1 ZINC000867220579 670087282 /nfs/dbraw/zinc/08/72/82/670087282.db2.gz ONUAODQRCJUCRD-SECBINFHSA-N -1 3 368.253 0.248 10 0 FCAEHM O=C(OC[C@@H]1COCCO1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000837416928 670106087 /nfs/dbraw/zinc/10/60/87/670106087.db2.gz ZDMZGZAADUOIBI-LBPRGKRZSA-N -1 3 359.375 0.839 10 0 FCAEHM CC[C@H](C[N-]S(=O)(=O)c1cnn(C)c1I)OC ZINC000867283415 670626782 /nfs/dbraw/zinc/62/67/82/670626782.db2.gz IBKDHICZXNEOBY-SSDOTTSWSA-N -1 3 373.216 0.728 10 0 FCAEHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H]2CNCCC2(F)F)c1 ZINC000842890715 670751829 /nfs/dbraw/zinc/75/18/29/670751829.db2.gz RZFRXAYPXNJHMK-LLVKDONJSA-N -1 3 352.334 0.888 10 0 FCAEHM C[C@H]1C(=O)N(C)CN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000843736995 670850519 /nfs/dbraw/zinc/85/05/19/670850519.db2.gz JVPLICPJAOSUFP-VIFPVBQESA-N -1 3 355.391 0.527 10 0 FCAEHM CC[C@H]([N-]S(=O)(=O)c1cnn(C)c1I)[C@H](C)O ZINC000867352761 670917670 /nfs/dbraw/zinc/91/76/70/670917670.db2.gz HIQYBYWFTRYKHB-BQBZGAKWSA-N -1 3 373.216 0.462 10 0 FCAEHM CCN1C[C@@H]([N-]S(=O)(=O)c2cn(C)nc2Br)CC1=O ZINC000867352902 670918066 /nfs/dbraw/zinc/91/80/66/670918066.db2.gz SNXUSJVXXQCYPM-ZETCQYMHSA-N -1 3 351.226 0.082 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NCC[C@@]2(O)CCOC2)ccc1F ZINC000846443813 671111207 /nfs/dbraw/zinc/11/12/07/671111207.db2.gz DMYVGCLNMCJQSI-MRXNPFEDSA-N -1 3 374.434 0.784 10 0 FCAEHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@H]2CCC(=O)N(C)C2)c1 ZINC000848437783 671275013 /nfs/dbraw/zinc/27/50/13/671275013.db2.gz MSKWGBVCHOJSSO-NSHDSACASA-N -1 3 358.391 0.820 10 0 FCAEHM O=c1[nH]c2cc(F)c(S(=O)(=O)[N-]C[C@@H]3CN(C4CC4)C(=O)O3)cc2o1 ZINC000848514689 671283332 /nfs/dbraw/zinc/28/33/32/671283332.db2.gz QWELLNQXXZMKSS-MRVPVSSYSA-N -1 3 371.346 0.522 10 0 FCAEHM COCc1nc(C[N-]S(=O)(=O)c2cc(C(=O)OC)c(C)cc2F)n[nH]1 ZINC000849437121 671344607 /nfs/dbraw/zinc/34/46/07/671344607.db2.gz BIROMDIHONSHHL-UHFFFAOYSA-N -1 3 372.378 0.664 10 0 FCAEHM CO[C@@H](COC(=O)C[N-]S(=O)(=O)c1c(C)noc1C)[C@@H]1CCOC1 ZINC000849641640 671356105 /nfs/dbraw/zinc/35/61/05/671356105.db2.gz BLSJXAORZVOPEL-NEPJUHHUSA-N -1 3 362.404 0.164 10 0 FCAEHM COC(=O)c1cnc(C[N-]C(=O)C(F)(F)C(=O)N2CCOCC2)s1 ZINC000902892627 675900692 /nfs/dbraw/zinc/90/06/92/675900692.db2.gz LTZDDJGXIGOPKW-UHFFFAOYSA-N -1 3 363.342 0.040 10 0 FCAEHM COC(=O)CC[C@H](C(=O)OC)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000852009017 671481069 /nfs/dbraw/zinc/48/10/69/671481069.db2.gz WYMUQNMKAWCCIR-LLVKDONJSA-N -1 3 368.352 0.872 10 0 FCAEHM C[C@@H]1CC[C@H](NC(=O)NCc2nc(C(F)(F)F)n[n-]2)CS1(=O)=O ZINC000854004939 671563656 /nfs/dbraw/zinc/56/36/56/671563656.db2.gz LTYLGFDEJMBVOG-RQJHMYQMSA-N -1 3 355.342 0.588 10 0 FCAEHM O=C(NCC[S@](=O)CC(F)(F)F)NCc1nc(C(F)(F)F)n[n-]1 ZINC000854004925 671563737 /nfs/dbraw/zinc/56/37/37/671563737.db2.gz LKKPUMWSXAWLQV-QHCPKHFHSA-N -1 3 367.275 0.934 10 0 FCAEHM C[C@H](C[N-]S(=O)(=O)c1cnn(C)c1Br)Cn1ccnc1 ZINC000903149643 675916274 /nfs/dbraw/zinc/91/62/74/675916274.db2.gz BXKFRKWSOSOQOV-SECBINFHSA-N -1 3 362.253 0.994 10 0 FCAEHM COC(=O)C1CC2(C1)CN(CC(=O)N1CCCC[C@@H]1C)C[C@@H]2C(=O)[O-] ZINC000903411614 675929087 /nfs/dbraw/zinc/92/90/87/675929087.db2.gz PTCHRFLKSPFPGQ-DWBBHFSCSA-N -1 3 352.431 0.973 10 0 FCAEHM CON(C)C(=O)[C@H](CCSC)[N-]S(=O)(=O)[C@H]1COC(C)(C)C1 ZINC000859069538 671791700 /nfs/dbraw/zinc/79/17/00/671791700.db2.gz QOHPJLZCSXORLT-MNOVXSKESA-N -1 3 354.494 0.615 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]C[C@H]2COC3(CCCC3)O2)on1 ZINC000859094956 671793182 /nfs/dbraw/zinc/79/31/82/671793182.db2.gz ZVVVJCHZYQQCTL-LBPRGKRZSA-N -1 3 374.415 0.956 10 0 FCAEHM CCn1ncc(C[N-]S(=O)(=O)c2cc(COC)cc(C(=O)OC)c2)n1 ZINC000859249906 671804252 /nfs/dbraw/zinc/80/42/52/671804252.db2.gz OAHGSCULYWUUOW-UHFFFAOYSA-N -1 3 368.415 0.710 10 0 FCAEHM CCn1ncc(C[N-]S(=O)(=O)c2cc3c(s2)CCN(C(C)=O)C3)n1 ZINC000859250535 671804360 /nfs/dbraw/zinc/80/43/60/671804360.db2.gz WSHXGDCMONNPJN-UHFFFAOYSA-N -1 3 369.472 0.743 10 0 FCAEHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@H](O)[C@@H]2CCCO2)c1 ZINC000859286938 671810016 /nfs/dbraw/zinc/81/00/16/671810016.db2.gz JRBGCPWRXSHFIK-STQMWFEESA-N -1 3 361.391 0.821 10 0 FCAEHM COC(=O)CCNC(=O)CC[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000859361657 671819503 /nfs/dbraw/zinc/81/95/03/671819503.db2.gz JNEVLOIMZFXNJM-UHFFFAOYSA-N -1 3 367.786 0.222 10 0 FCAEHM C[C@H]1CCN(C(=O)NC[C@H]2COCCN2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000861685578 671980789 /nfs/dbraw/zinc/98/07/89/671980789.db2.gz VNXGXQUOQWFXEA-BJDJZHNGSA-N -1 3 366.384 0.462 10 0 FCAEHM CC(C)(C)OC(=O)N1CC2(C1)C[C@H](NC(=O)c1cc(=O)[n-]cn1)CO2 ZINC000862183804 672036274 /nfs/dbraw/zinc/03/62/74/672036274.db2.gz MKLMWUACHFUMFE-JTQLQIEISA-N -1 3 350.375 0.690 10 0 FCAEHM O=C([N-]N1CCOC1=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000862702221 672068192 /nfs/dbraw/zinc/06/81/92/672068192.db2.gz CHUGGHLVOGCLTB-UHFFFAOYSA-N -1 3 356.132 0.877 10 0 FCAEHM O=C(N[C@@H]1COCCC1=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000862934473 672088056 /nfs/dbraw/zinc/08/80/56/672088056.db2.gz PZORZNXTVUHXFF-GFCCVEGCSA-N -1 3 356.375 0.354 10 0 FCAEHM COCCOCCC[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000866428823 672272942 /nfs/dbraw/zinc/27/29/42/672272942.db2.gz HABRUOXDPIWYPT-UHFFFAOYSA-N -1 3 356.242 0.514 10 0 FCAEHM C[C@H](CN1CCOCC1)[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000866500302 672278629 /nfs/dbraw/zinc/27/86/29/672278629.db2.gz UPLNTTNXXDIOGV-SECBINFHSA-N -1 3 367.269 0.182 10 0 FCAEHM CC[S@@](C)(=O)=NS(=O)(=O)[N-]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000866708097 672290409 /nfs/dbraw/zinc/29/04/09/672290409.db2.gz CWTFUFVQZRRCML-GWNMQOMSSA-N -1 3 351.416 0.823 10 0 FCAEHM C[C@@H](CN1CCN(C)CC1)[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000866747593 672297047 /nfs/dbraw/zinc/29/70/47/672297047.db2.gz RNDFDHSAWATERT-JTQLQIEISA-N -1 3 369.413 0.353 10 0 FCAEHM CC(C)N1CC[C@H]([N-]S(=O)(=O)c2cn(C)nc2Br)C1=O ZINC000866792290 672306478 /nfs/dbraw/zinc/30/64/78/672306478.db2.gz YFJBSRBWYIKRQZ-QMMMGPOBSA-N -1 3 365.253 0.470 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-][C@@H]2CCC(=O)N(C)C2)c1Br ZINC000866824169 672313478 /nfs/dbraw/zinc/31/34/78/672313478.db2.gz RAOUEUBQAQKTBO-SSDOTTSWSA-N -1 3 351.226 0.082 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-][C@@H]2C[C@@H](O)C23CCC3)c1Br ZINC000867518840 672330210 /nfs/dbraw/zinc/33/02/10/672330210.db2.gz HXPGETCXOCYJFG-RKDXNWHRSA-N -1 3 350.238 0.764 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]C[C@H](O)[C@H]2CCCO2)c(Br)n1 ZINC000867556970 672336535 /nfs/dbraw/zinc/33/65/35/672336535.db2.gz JWLIMPVVXZIDBA-JGVFFNPUSA-N -1 3 354.226 0.001 10 0 FCAEHM COC(=O)c1nscc1S(=O)(=O)[N-][C@@H]1CCCN(CCF)C1 ZINC000867711504 672357740 /nfs/dbraw/zinc/35/77/40/672357740.db2.gz RAWVJOUGFWQTOX-SECBINFHSA-N -1 3 351.425 0.642 10 0 FCAEHM O=C1OC[C@]2(C[N-]S(=O)(=O)c3ccc(Cl)s3)COCCN12 ZINC000867751427 672363736 /nfs/dbraw/zinc/36/37/36/672363736.db2.gz MNLKKZYHEDDOIK-NSHDSACASA-N -1 3 352.821 0.901 10 0 FCAEHM O=C([N-]CC1CCN(C(=O)C2(N3CCOCC3)CC2)CC1)C(F)(F)F ZINC000868015206 672383151 /nfs/dbraw/zinc/38/31/51/672383151.db2.gz PBZBLBGJBYKKES-UHFFFAOYSA-N -1 3 363.380 0.768 10 0 FCAEHM CC1(C)COc2c(S(=O)(=O)[N-][C@H]3CNCCC3(F)F)cnn2C1 ZINC000923647767 672954148 /nfs/dbraw/zinc/95/41/48/672954148.db2.gz VSTIGFYSLDYYCX-JTQLQIEISA-N -1 3 350.391 0.577 10 0 FCAEHM CS(=O)(=O)NC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccnc1Cl ZINC000800196917 673421885 /nfs/dbraw/zinc/42/18/85/673421885.db2.gz DBEILYJDBFQNJK-VHSXEESVSA-N -1 3 367.880 0.731 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2CNS(C)(=O)=O)nc1Cl ZINC000800198695 673422195 /nfs/dbraw/zinc/42/21/95/673422195.db2.gz WNAKVTSKVYWLCL-BDAKNGLRSA-N -1 3 370.884 0.070 10 0 FCAEHM COc1cc(C(=O)N[C@@H]2CCN(C)[C@H]2C)cc([N-]S(C)(=O)=O)c1OC ZINC000928447656 673910428 /nfs/dbraw/zinc/91/04/28/673910428.db2.gz LDRHQSTWBRBKBH-CMPLNLGQSA-N -1 3 371.459 0.898 10 0 FCAEHM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]C[C@@H](C)N1CCCCC1=O ZINC000800939725 675718915 /nfs/dbraw/zinc/71/89/15/675718915.db2.gz RIEBLRBWNYKABL-SECBINFHSA-N -1 3 358.420 0.184 10 0 FCAEHM Cc1nc(-c2ccn(C)n2)sc1CC(=O)N(CCN(C)C)CC(=O)[O-] ZINC000901422422 675789425 /nfs/dbraw/zinc/78/94/25/675789425.db2.gz RFUHVXALOQAECG-UHFFFAOYSA-N -1 3 365.459 0.869 10 0 FCAEHM O=C(c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)N1C[C@@H]2COC[C@H](C1)O2 ZINC000801540253 675790073 /nfs/dbraw/zinc/79/00/73/675790073.db2.gz LFDVUYFTTSMKIK-BETUJISGSA-N -1 3 370.402 0.506 10 0 FCAEHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NC[C@](C)(O)CO)ccc1F ZINC000801976163 675815914 /nfs/dbraw/zinc/81/59/14/675815914.db2.gz PLIJMPFRJZBWNG-HNNXBMFYSA-N -1 3 362.423 0.376 10 0 FCAEHM CCn1c(C)cc2n[n-]c(NC(=O)c3cn(CC4(C)COC4)nn3)c2c1=O ZINC001648865042 1169084433 /nfs/dbraw/zinc/08/44/33/1169084433.db2.gz GLNQYPUCJSXFDG-UHFFFAOYSA-N -1 3 371.401 0.933 10 0 FCAEHM Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)n1 ZINC001648891199 1169102129 /nfs/dbraw/zinc/10/21/29/1169102129.db2.gz VGGANWUSLDTWMQ-KBPBESRZSA-N -1 3 360.414 0.548 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1CC[C@H](NC(=O)CCc2ccon2)[C@H]1C ZINC001719629607 1170850587 /nfs/dbraw/zinc/85/05/87/1170850587.db2.gz YPFGCEVPUSDLIF-YPMHNXCESA-N -1 3 359.386 0.831 10 0 FCAEHM COc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)CCNCc1nc(=O)n(C)[n-]1 ZINC001481289631 1183217660 /nfs/dbraw/zinc/21/76/60/1183217660.db2.gz ONVGHHVJWAUUAM-UONOGXRCSA-N -1 3 359.430 0.469 10 0 FCAEHM Cc1nc2c(c(=O)[n-]1)CN(CC(=O)NCCN1CCc3ccccc31)C2 ZINC000931321636 1183253354 /nfs/dbraw/zinc/25/33/54/1183253354.db2.gz QYIANKDAGYNSID-UHFFFAOYSA-N -1 3 353.426 0.985 10 0 FCAEHM O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N[N-]C(=O)c1ccccc1F ZINC000028841125 1188267710 /nfs/dbraw/zinc/26/77/10/1188267710.db2.gz RGBMFVVJZAYCHW-UHFFFAOYSA-N -1 3 356.313 0.290 10 0 FCAEHM Cc1nc(C)c(CCC(=O)NCc2cn(C3CC3)c(=O)[nH]c2=O)c(=O)[n-]1 ZINC001648999623 1193863340 /nfs/dbraw/zinc/86/33/40/1193863340.db2.gz MKMWTSUTMAWTMW-UHFFFAOYSA-N -1 3 359.386 0.645 10 0 FCAEHM CN(CCN(C)C(=O)[C@]12C[C@H]1COC2)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001746906268 1197991617 /nfs/dbraw/zinc/99/16/17/1197991617.db2.gz JMDHFEIFFJFPNY-BUXKBTBVSA-N -1 3 371.393 0.137 10 0 FCAEHM COC(=O)c1ccc([C@H](NC(=O)NN2CC(=O)[N-]C2=O)C(F)(F)F)cc1 ZINC000770760961 1200480735 /nfs/dbraw/zinc/48/07/35/1200480735.db2.gz WHWBUXOYRUBRNU-JTQLQIEISA-N -1 3 374.275 0.843 10 0 FCAEHM COC(=O)c1ccc([C@@H](NC(=O)NN2CC(=O)[N-]C2=O)C(F)(F)F)cc1 ZINC000770761178 1200481132 /nfs/dbraw/zinc/48/11/32/1200481132.db2.gz WHWBUXOYRUBRNU-SNVBAGLBSA-N -1 3 374.275 0.843 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)c2cnn(-c3ccc(F)cc3)n2)[n-]1 ZINC000787916276 1200920497 /nfs/dbraw/zinc/92/04/97/1200920497.db2.gz TVUNSDCNMAKCPV-UHFFFAOYSA-N -1 3 359.321 0.631 10 0 FCAEHM CN(C)[C@H]1CCOc2c(NC(=O)CCn3cc[n-]c(=O)c3=O)cccc21 ZINC000790238485 1201060985 /nfs/dbraw/zinc/06/09/85/1201060985.db2.gz AHNMPQNVKMEUJR-AWEZNQCLSA-N -1 3 358.398 0.951 10 0 FCAEHM Cn1ncc(C(=O)COC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])n1 ZINC000791714226 1201156859 /nfs/dbraw/zinc/15/68/59/1201156859.db2.gz WNKVXZKITPJSFW-CYBMUJFWSA-N -1 3 358.354 0.551 10 0 FCAEHM O=C(NCc1ncccc1[O-])C(=O)Nc1cccc(CN2CCOC2=O)c1 ZINC000792414274 1201193587 /nfs/dbraw/zinc/19/35/87/1201193587.db2.gz XHXCVSOSSRWFQO-UHFFFAOYSA-N -1 3 370.365 0.994 10 0 FCAEHM O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)NCc1ncccc1[O-] ZINC000792611709 1201207038 /nfs/dbraw/zinc/20/70/38/1201207038.db2.gz JAIQQUCDFZVZCW-IBGZPJMESA-N -1 3 366.377 0.797 10 0 FCAEHM Cn1cc(N2C[C@@H](C(=O)Nc3ccc(-c4nnn[n-]4)cc3)CCC2=O)cn1 ZINC001136497286 1203216584 /nfs/dbraw/zinc/21/65/84/1203216584.db2.gz DYRCVOSPVLPUQR-LBPRGKRZSA-N -1 3 366.385 0.982 10 0 FCAEHM Cn1cc(N2C[C@@H](C(=O)Nc3ccc(-c4nn[n-]n4)cc3)CCC2=O)cn1 ZINC001136497286 1203216587 /nfs/dbraw/zinc/21/65/87/1203216587.db2.gz DYRCVOSPVLPUQR-LBPRGKRZSA-N -1 3 366.385 0.982 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 ZINC001144226810 1204437858 /nfs/dbraw/zinc/43/78/58/1204437858.db2.gz OTMMWICQQSKVMK-CQSZACIVSA-N -1 3 373.388 0.932 10 0 FCAEHM O=C([C@@H]1CC(=O)N(Cc2ccccn2)C1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001144503070 1204542163 /nfs/dbraw/zinc/54/21/63/1204542163.db2.gz RDRWCNXVFPCFFV-QWHCGFSZSA-N -1 3 355.398 0.875 10 0 FCAEHM COc1ccc(C(=O)NCC(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)cc1OC ZINC001144502673 1204542674 /nfs/dbraw/zinc/54/26/74/1204542674.db2.gz NKDQVYONRJHPEL-LBPRGKRZSA-N -1 3 374.397 0.878 10 0 FCAEHM COC(=O)[C@@H](NC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])C1CC1 ZINC001148611353 1204836629 /nfs/dbraw/zinc/83/66/29/1204836629.db2.gz XORIISKHJRCMSP-AWEZNQCLSA-N -1 3 361.329 0.555 10 0 FCAEHM COC(=O)[C@@H](NC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O)C1CC1 ZINC001148611353 1204836630 /nfs/dbraw/zinc/83/66/30/1204836630.db2.gz XORIISKHJRCMSP-AWEZNQCLSA-N -1 3 361.329 0.555 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)c3ccccc3-n3cnnn3)CC2)n1 ZINC001178039443 1206352172 /nfs/dbraw/zinc/35/21/72/1206352172.db2.gz UJBXHDUVWPXBCV-UHFFFAOYSA-N -1 3 366.385 0.429 10 0 FCAEHM O=C(Cn1cc(-c2ccccc2)nn1)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001180027116 1206387901 /nfs/dbraw/zinc/38/79/01/1206387901.db2.gz DPBITEKQUHPPHL-CQSZACIVSA-N -1 3 365.397 0.836 10 0 FCAEHM COc1cc(CCC(=O)NC[C@H]2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)on1 ZINC001488915112 1208568579 /nfs/dbraw/zinc/56/85/79/1208568579.db2.gz WYYXUPNXVMIFTD-WDEREUQCSA-N -1 3 364.406 0.514 10 0 FCAEHM CCO[C@@H]1CN(C(=O)CCC(F)(F)F)C[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001489008201 1208603963 /nfs/dbraw/zinc/60/39/63/1208603963.db2.gz RKWPFUGGZPUHKM-NXEZZACHSA-N -1 3 365.356 0.806 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)CCN1Cc1cncs1 ZINC001489297484 1208728309 /nfs/dbraw/zinc/72/83/09/1208728309.db2.gz MFIUQVLSYPZZLA-YPMHNXCESA-N -1 3 363.443 0.162 10 0 FCAEHM CCCCOCC(=O)N1C[C@@H]2CCN(C(=O)c3c(C)nc[n-]c3=O)[C@@H]2C1 ZINC001489270386 1208748176 /nfs/dbraw/zinc/74/81/76/1208748176.db2.gz OZQMJADOKKHRME-UONOGXRCSA-N -1 3 362.430 0.980 10 0 FCAEHM CC[C@@H](CC(=O)N1C[C@@H](NC(=O)c2c(C)nc[n-]c2=O)[C@@H](O)C1)C(C)C ZINC001489614702 1209045121 /nfs/dbraw/zinc/04/51/21/1209045121.db2.gz ROMNLAHDFIGKPC-MJBXVCDLSA-N -1 3 364.446 0.864 10 0 FCAEHM CC(C)SCC(=O)N1C[C@H]2CCN(C(=O)c3cnc[n-]c3=O)C[C@H]21 ZINC001489636009 1209067935 /nfs/dbraw/zinc/06/79/35/1209067935.db2.gz IIZNISWQYNXUGS-DGCLKSJQSA-N -1 3 350.444 0.997 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)NCc1cc(=O)[n-]c(CNC(=O)C(F)F)n1 ZINC001489966694 1209184819 /nfs/dbraw/zinc/18/48/19/1209184819.db2.gz CLGSZIVBOCVBNH-ZJUUUORDSA-N -1 3 358.345 0.495 10 0 FCAEHM CC[C@@H](F)C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@H]2OCC[C@H]2CC)n1 ZINC001489968527 1209184985 /nfs/dbraw/zinc/18/49/85/1209184985.db2.gz NCROATGDKGEGJN-HCKVZZMMSA-N -1 3 368.409 0.978 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)CCc2ccc(=O)[nH]c2)CCN1C(=O)c1cnc[n-]c1=O ZINC001490122439 1209244434 /nfs/dbraw/zinc/24/44/34/1209244434.db2.gz QJVFZWIIJCSQEA-RISCZKNCSA-N -1 3 371.397 0.635 10 0 FCAEHM C[C@@]12CN(C(=O)COCC3CC3)C[C@@H]1CN(C(=O)c1cnc[n-]c1=O)C2 ZINC001490224289 1209276790 /nfs/dbraw/zinc/27/67/90/1209276790.db2.gz JTEDVQCMYKBSFE-ACJLOTCBSA-N -1 3 360.414 0.529 10 0 FCAEHM CCOCC(=O)NC[C@@H]1CN(C(=O)Cc2c(C)nc(C)[n-]c2=O)C[C@H]1C ZINC001490255509 1209287550 /nfs/dbraw/zinc/28/75/50/1209287550.db2.gz AHHPOWVCKJEBLX-BXUZGUMPSA-N -1 3 364.446 0.589 10 0 FCAEHM COCCOCC(=O)NCC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001490400928 1209334382 /nfs/dbraw/zinc/33/43/82/1209334382.db2.gz DPNUHHPOFLNRGH-CHWSQXEVSA-N -1 3 366.418 0.060 10 0 FCAEHM O=C(CCCn1ccccc1=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn[n-]n1)C2 ZINC001490650674 1209403636 /nfs/dbraw/zinc/40/36/36/1209403636.db2.gz FFBJDBWLSSCBJB-IPYPFGDCSA-N -1 3 370.413 0.309 10 0 FCAEHM CCOCCO[C@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn[n-]n1)C2 ZINC001490650660 1209403745 /nfs/dbraw/zinc/40/37/45/1209403745.db2.gz DKZPQYHTEGYPNH-NMKXLXIOSA-N -1 3 351.407 0.108 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])N1CC[C@H]2COC[C@@H]2C1 ZINC000856147193 1209697289 /nfs/dbraw/zinc/69/72/89/1209697289.db2.gz MYYDAQDIGFPSQE-RYUDHWBXSA-N -1 3 359.357 0.982 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c([O-])cc1=O)N1CC[C@H]2COC[C@@H]2C1 ZINC000856147193 1209697291 /nfs/dbraw/zinc/69/72/91/1209697291.db2.gz MYYDAQDIGFPSQE-RYUDHWBXSA-N -1 3 359.357 0.982 10 0 FCAEHM COC(=O)[C@@H]1CC[C@H](C(=O)N[C@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])O1 ZINC000861698902 1209874719 /nfs/dbraw/zinc/87/47/19/1209874719.db2.gz SMNCXLCTWPXNQW-WFFHOREQSA-N -1 3 365.386 0.587 10 0 FCAEHM O=C(NC[C@H](O)[C@@H]1CCCO1)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC000862652733 1209919561 /nfs/dbraw/zinc/91/95/61/1209919561.db2.gz BOFQHPMYVNTWGC-KBPBESRZSA-N -1 3 363.345 0.144 10 0 FCAEHM O=C(NC[C@H](O)[C@@H]1CCCO1)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000862652733 1209919562 /nfs/dbraw/zinc/91/95/62/1209919562.db2.gz BOFQHPMYVNTWGC-KBPBESRZSA-N -1 3 363.345 0.144 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000863756571 1209950207 /nfs/dbraw/zinc/95/02/07/1209950207.db2.gz YGRLVISDEDDXEG-BXKDBHETSA-N -1 3 359.313 0.119 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c([O-])cc1=O)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000863756571 1209950209 /nfs/dbraw/zinc/95/02/09/1209950209.db2.gz YGRLVISDEDDXEG-BXKDBHETSA-N -1 3 359.313 0.119 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)c1 ZINC001137123016 1210447511 /nfs/dbraw/zinc/44/75/11/1210447511.db2.gz BYBGEAUMSLEOGH-UHFFFAOYSA-N -1 3 369.381 0.739 10 0 FCAEHM Cn1cc(C2=NC[C@H](CN3CCN(C(=O)c4ccc([O-])cc4)CC3)O2)cn1 ZINC000929873438 1211667180 /nfs/dbraw/zinc/66/71/80/1211667180.db2.gz VBUOWTPPSBPWTQ-QGZVFWFLSA-N -1 3 369.425 0.729 10 0 FCAEHM C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000649234528 1213549208 /nfs/dbraw/zinc/54/92/08/1213549208.db2.gz FULSGZJFOYWEJP-LLVKDONJSA-N -1 3 359.386 0.222 10 0 FCAEHM C/C(=C/C(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C)CN1CCOCC1 ZINC000900708570 1218028821 /nfs/dbraw/zinc/02/88/21/1218028821.db2.gz CONMRYHRBJSDEG-WQLSENKSSA-N -1 3 359.430 0.946 10 0 FCAEHM CCOCCNC(=O)COC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000753446806 1220091388 /nfs/dbraw/zinc/09/13/88/1220091388.db2.gz DVBDAWUOSRWRTN-CQSZACIVSA-N -1 3 364.398 0.693 10 0 FCAEHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](O)C[C@H](O)C2)c1 ZINC000755436993 1220139272 /nfs/dbraw/zinc/13/92/72/1220139272.db2.gz XHSKIDPZYIQTOV-TXEJJXNPSA-N -1 3 361.354 0.509 10 0 FCAEHM C[C@@H](NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001118325354 1221759710 /nfs/dbraw/zinc/75/97/10/1221759710.db2.gz DOYWMFBTEKRPOG-NIFZNCRKSA-N -1 3 365.474 0.933 10 0 FCAEHM CCOC(=O)[C@@H]1c2ccoc2CCN1Cc1cc(=O)n2nc(N)[n-]c2n1 ZINC001118898294 1221841986 /nfs/dbraw/zinc/84/19/86/1221841986.db2.gz RJROBDAMCGYPNN-ZDUSSCGKSA-N -1 3 358.358 0.255 10 0 FCAEHM c1csc(Cn2c(CCc3nnn[n-]3)nnc2N2CCC3(COC3)C2)c1 ZINC001122941847 1222308948 /nfs/dbraw/zinc/30/89/48/1222308948.db2.gz ROYWKKIFMKIFSL-UHFFFAOYSA-N -1 3 372.458 0.913 10 0 FCAEHM c1csc(Cn2c(CCc3nn[n-]n3)nnc2N2CCC3(COC3)C2)c1 ZINC001122941847 1222308953 /nfs/dbraw/zinc/30/89/53/1222308953.db2.gz ROYWKKIFMKIFSL-UHFFFAOYSA-N -1 3 372.458 0.913 10 0 FCAEHM O=C(CN1C(=O)CCc2ccccc21)N1CCC(Cc2nnn[n-]2)CC1 ZINC001123895915 1222364246 /nfs/dbraw/zinc/36/42/46/1222364246.db2.gz YNPGXMUXBFSZCS-UHFFFAOYSA-N -1 3 354.414 0.960 10 0 FCAEHM O=C(CN1C(=O)CCc2ccccc21)N1CCC(Cc2nn[n-]n2)CC1 ZINC001123895915 1222364251 /nfs/dbraw/zinc/36/42/51/1222364251.db2.gz YNPGXMUXBFSZCS-UHFFFAOYSA-N -1 3 354.414 0.960 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCC[C@@H](NC(=O)[C@@H]3CCC(=O)N3C(C)C)C2)n1 ZINC001123998963 1222374786 /nfs/dbraw/zinc/37/47/86/1222374786.db2.gz LPJCIOZNPQATKP-KGLIPLIRSA-N -1 3 361.446 0.975 10 0 FCAEHM CN1CCn2ncc(C(=O)[N-]c3nncn3-c3ccccc3)c2S1(=O)=O ZINC001137627054 1222405975 /nfs/dbraw/zinc/40/59/75/1222405975.db2.gz FPAACFKHSVKBHD-UHFFFAOYSA-N -1 3 373.398 0.350 10 0 FCAEHM Nc1ncnc2c1ncn2CCCCC(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC001138329194 1222501163 /nfs/dbraw/zinc/50/11/63/1222501163.db2.gz LYRPBBMHZNVMMD-UHFFFAOYSA-N -1 3 368.401 0.659 10 0 FCAEHM CN(C)c1noc(CNC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])n1 ZINC001138612879 1222519081 /nfs/dbraw/zinc/51/90/81/1222519081.db2.gz LRAJTNDKLKMRPP-UHFFFAOYSA-N -1 3 374.332 0.253 10 0 FCAEHM CN(C)c1noc(CNC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)n1 ZINC001138612879 1222519086 /nfs/dbraw/zinc/51/90/86/1222519086.db2.gz LRAJTNDKLKMRPP-UHFFFAOYSA-N -1 3 374.332 0.253 10 0 FCAEHM O=C(Nc1ccc(O[C@@H]2CC(=O)N2)cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC001140642616 1222602370 /nfs/dbraw/zinc/60/23/70/1222602370.db2.gz WNVIGWYXTQGPSH-CQSZACIVSA-N -1 3 351.326 0.739 10 0 FCAEHM O=C(Nc1ccc(O[C@@H]2CC(=O)N2)cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC001140642616 1222602371 /nfs/dbraw/zinc/60/23/71/1222602371.db2.gz WNVIGWYXTQGPSH-CQSZACIVSA-N -1 3 351.326 0.739 10 0 FCAEHM CCO[C@H](C)C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)c1cnc[n-]c1=O ZINC001515315566 1265499964 /nfs/dbraw/zinc/49/99/64/1265499964.db2.gz LRLREGXZUDJMBE-UPJWGTAASA-N -1 3 350.419 0.964 10 0 FCAEHM CC1(CC(=O)NCc2cc(=O)[n-]c(CNC(=O)[C@]34C[C@H]3COC4)n2)CC1 ZINC001519541577 1265729440 /nfs/dbraw/zinc/72/94/40/1265729440.db2.gz PHWUYVBGGKKPQW-VOJFVSQTSA-N -1 3 360.414 0.641 10 0 FCAEHM COC(=O)[C@@H](CCF)NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC001329746278 1265828061 /nfs/dbraw/zinc/82/80/61/1265828061.db2.gz QVJVXKJFIQWUOX-CYBMUJFWSA-N -1 3 362.361 0.700 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCC[C@@H](NC(=O)[C@@H]3CCCN(C4CC4)C3=O)C2)n1 ZINC001520594229 1265943230 /nfs/dbraw/zinc/94/32/30/1265943230.db2.gz LGZRCDYKKMKZEM-HIFRSBDPSA-N -1 3 373.457 0.977 10 0 FCAEHM COCC1(C(=O)N2C[C@H]3CN(C(=O)c4cnc[n-]c4=O)C[C@@]3(C)C2)CC1 ZINC001521635616 1266154625 /nfs/dbraw/zinc/15/46/25/1266154625.db2.gz GXPLGRXZRISAOZ-PXAZEXFGSA-N -1 3 360.414 0.529 10 0 FCAEHM COCCC(=O)NC[C@@H]1CN(C(=O)CCc2c(C)nc[n-]c2=O)C[C@H]1C ZINC001521728147 1266168332 /nfs/dbraw/zinc/16/83/32/1266168332.db2.gz XPOFQBSWMFFQHD-TZMCWYRMSA-N -1 3 364.446 0.670 10 0 FCAEHM O=C(N[C@H](CO)Cc1ccccc1)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001251450768 1259748511 /nfs/dbraw/zinc/74/85/11/1259748511.db2.gz GFMLUZVNIKEFRA-GJZGRUSLSA-N -1 3 357.414 0.664 10 0 FCAEHM O=C(NC1CC1)[C@@H]1CCCN1C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001251450741 1259749059 /nfs/dbraw/zinc/74/90/59/1259749059.db2.gz FUPAJEVXQNCTQZ-STQMWFEESA-N -1 3 360.418 0.214 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2ncc[nH]2)C1 ZINC001521995240 1266284933 /nfs/dbraw/zinc/28/49/33/1266284933.db2.gz WADQFYQBLUKOTJ-ZYHUDNBSSA-N -1 3 358.402 0.742 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NC[C@H](O)CN1CCCC1=O ZINC001253296007 1259831474 /nfs/dbraw/zinc/83/14/74/1259831474.db2.gz VGCQHQDWEBFLOL-NSHDSACASA-N -1 3 373.413 0.264 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)Cc3nc4ncccn4n3)cc2n(C)c1=O ZINC001261223660 1260103750 /nfs/dbraw/zinc/10/37/50/1260103750.db2.gz DHDRMMOKMJDPQB-UHFFFAOYSA-N -1 3 353.342 0.202 10 0 FCAEHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001282147748 1261357033 /nfs/dbraw/zinc/35/70/33/1261357033.db2.gz VMZNPBRWLQRGSM-WCFLWFBJSA-N -1 3 363.418 0.030 10 0 FCAEHM CCO[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CNC(=O)[C@@H](C)C1CC1 ZINC001282181137 1261372892 /nfs/dbraw/zinc/37/28/92/1261372892.db2.gz UUMGIXUGDVZQJQ-NJZAAPMLSA-N -1 3 362.430 0.822 10 0 FCAEHM COCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cnc[n-]c2=O)CCC1 ZINC001522184597 1266406877 /nfs/dbraw/zinc/40/68/77/1266406877.db2.gz PZGQVYZQKKGKIE-XBFCOCLRSA-N -1 3 360.414 0.861 10 0 FCAEHM C[C@H](NC(=O)c1cn(C(F)(F)CO)nn1)c1nc(C(F)(F)F)n[n-]1 ZINC001472112174 1261438763 /nfs/dbraw/zinc/43/87/63/1261438763.db2.gz XUCAVFHUXQFGOX-BYPYZUCNSA-N -1 3 355.227 0.448 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)CCN2C(=O)CCc3ccccc32)[n-]1 ZINC001472544765 1261474212 /nfs/dbraw/zinc/47/42/12/1261474212.db2.gz FTGXHZFQZXUUCT-UHFFFAOYSA-N -1 3 371.397 0.967 10 0 FCAEHM C[C@@](O)(CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O)C1CC1 ZINC001282716692 1261595234 /nfs/dbraw/zinc/59/52/34/1261595234.db2.gz ATTPRQHWJQWYGS-GNTLTTKYSA-N -1 3 360.414 0.595 10 0 FCAEHM COC[C@H](OC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c(C)nc[n-]c1=O ZINC001282788962 1261629763 /nfs/dbraw/zinc/62/97/63/1261629763.db2.gz LFUIIJNAGMPNOB-NDBYEHHHSA-N -1 3 364.402 0.014 10 0 FCAEHM O=C(NCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1c[n-]c2ccccc2c1=O ZINC001283105702 1261670805 /nfs/dbraw/zinc/67/08/05/1261670805.db2.gz OSGZPASANJCDNN-JWIKUPJKSA-N -1 3 367.405 0.798 10 0 FCAEHM Cn1cc([C@@H]2C[C@H]2C(=O)N(CCNC(=O)c2cnc[n-]c2=O)C2CC2)cn1 ZINC001284739123 1261783213 /nfs/dbraw/zinc/78/32/13/1261783213.db2.gz NZOLPDWRPRFLOW-UONOGXRCSA-N -1 3 370.413 0.440 10 0 FCAEHM C[C@@H](CNC(=O)[C@@H]1OCCO[C@@H]1c1ccccc1)NC(=O)c1cn[n-]n1 ZINC001285751064 1261874349 /nfs/dbraw/zinc/87/43/49/1261874349.db2.gz LARQSHGZFQHDBZ-NILFDRSVSA-N -1 3 359.386 0.196 10 0 FCAEHM CN(C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)[C@H](CNC(=O)c1cnc[n-]c1=O)C1CC1 ZINC001287531497 1261961329 /nfs/dbraw/zinc/96/13/29/1261961329.db2.gz UEXHPLYFMPQIGS-WMHQRMGPSA-N -1 3 374.441 0.964 10 0 FCAEHM C[C@H](CN(C)C(=O)[C@]12C[C@H]1COC2)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001287634371 1261964618 /nfs/dbraw/zinc/96/46/18/1261964618.db2.gz SPDLCTIMUJVMIN-MYFIVHGGSA-N -1 3 360.414 0.673 10 0 FCAEHM CN(C[C@H](O)CNC(=O)c1cccc2n[n-]nc21)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001288087014 1261995864 /nfs/dbraw/zinc/99/58/64/1261995864.db2.gz YAVJBQKGUDGDQG-VHDGCEQUSA-N -1 3 371.441 0.943 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NC[C@H](O)CN(C)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001288095122 1261997776 /nfs/dbraw/zinc/99/77/76/1261997776.db2.gz KBLMKLZMUSBKPJ-KGYLQXTDSA-N -1 3 362.430 0.655 10 0 FCAEHM CCN(C(=O)[C@]12C[C@H]1COC2)[C@H](C)CNC(=O)c1cccc2n[n-]nc21 ZINC001288623756 1262027301 /nfs/dbraw/zinc/02/73/01/1262027301.db2.gz LGANPBDOWBPSEL-SOZUMNATSA-N -1 3 357.414 0.961 10 0 FCAEHM C[C@H](Oc1ccccn1)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001289365794 1262185001 /nfs/dbraw/zinc/18/50/01/1262185001.db2.gz HMMSWAMQPBWZHE-MBNYWOFBSA-N -1 3 371.397 0.621 10 0 FCAEHM CO[C@@H]1CN(C(=O)CCCc2ncc(C)o2)C[C@H]1NC(=O)c1cn[n-]n1 ZINC001289507031 1262229628 /nfs/dbraw/zinc/22/96/28/1262229628.db2.gz JUUGSHWEQLPYBJ-CHWSQXEVSA-N -1 3 362.390 0.080 10 0 FCAEHM CC[C@@H](C)OCC(=O)N1C[C@@H](NC(=O)c2c(C)nc[n-]c2=O)[C@H](OC)C1 ZINC001289529304 1262240064 /nfs/dbraw/zinc/24/00/64/1262240064.db2.gz HISXXWZOYYZTNP-RAIGVLPGSA-N -1 3 366.418 0.261 10 0 FCAEHM CC[C@H](NC(C)=O)C(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1OC ZINC001289549883 1262249159 /nfs/dbraw/zinc/24/91/59/1262249159.db2.gz HYGOVLNLAMIIKD-SQWLQELKSA-N -1 3 363.414 0.263 10 0 FCAEHM C[C@@H]1CCN(C(=O)COCC2CC2)[C@H](CNC(=O)c2cnc[n-]c2=O)C1 ZINC001290283116 1262421142 /nfs/dbraw/zinc/42/11/42/1262421142.db2.gz QKBMLBDTZXXVNZ-OCCSQVGLSA-N -1 3 362.430 0.966 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001290443678 1262445444 /nfs/dbraw/zinc/44/54/44/1262445444.db2.gz GIZXYKVJOWDQTR-GMXVVIOVSA-N -1 3 364.450 0.465 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnccn2)C[C@H]1CCNC(=O)c1cnc[n-]c1=O ZINC001291633863 1262570279 /nfs/dbraw/zinc/57/02/79/1262570279.db2.gz JFDXUIQUPZVEFU-VXGBXAGGSA-N -1 3 356.386 0.500 10 0 FCAEHM COC(=O)Cc1n[n-]c(NC(=O)C=Cc2ccc3c(c2)NC(=O)CO3)n1 ZINC001293875574 1262723442 /nfs/dbraw/zinc/72/34/42/1262723442.db2.gz VPMLWJYSOGQHJX-HWKANZROSA-N -1 3 357.326 0.503 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)C=Cc2ccc3c(c2)NC(=O)CO3)n[n-]1 ZINC001293875574 1262723447 /nfs/dbraw/zinc/72/34/47/1262723447.db2.gz VPMLWJYSOGQHJX-HWKANZROSA-N -1 3 357.326 0.503 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@@H](NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CC1 ZINC001294927091 1262751386 /nfs/dbraw/zinc/75/13/86/1262751386.db2.gz YPQMPKXDVZMFQS-MKRTWGBSSA-N -1 3 372.425 0.539 10 0 FCAEHM C[C@@H](CO[N-]C(=O)CCC(=O)N1CCC(O)CC1)NC(=O)OC(C)(C)C ZINC001295153395 1262759106 /nfs/dbraw/zinc/75/91/06/1262759106.db2.gz ATXINPHNSBKYBE-LBPRGKRZSA-N -1 3 373.450 0.711 10 0 FCAEHM CCCN(C(=O)c1cnc[n-]c1=O)[C@H]1CCN(C(=O)[C@]23C[C@H]2COC3)C1 ZINC001296774994 1262835665 /nfs/dbraw/zinc/83/56/65/1262835665.db2.gz JITNKTPXWVXHBQ-LXIYXOSZSA-N -1 3 360.414 0.672 10 0 FCAEHM Cc1cc(=O)[n-]c(CNC(=O)C2(O)CN(C(=O)OCc3ccccc3)C2)n1 ZINC001300203906 1262985914 /nfs/dbraw/zinc/98/59/14/1262985914.db2.gz UCFKHCFOBDVVNF-UHFFFAOYSA-N -1 3 372.381 0.490 10 0 FCAEHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)[C@H]1C[C@H](O)CN1c1ccncn1 ZINC001301760465 1263020538 /nfs/dbraw/zinc/02/05/38/1263020538.db2.gz LGCXDBNIVOEJTK-UONOGXRCSA-N -1 3 370.413 0.496 10 0 FCAEHM CC1(C)O[C@@H]2C[C@@H](NC(=O)N[C@@H]3CCN(c4cc(=O)[n-]cn4)C3)C[C@@H]2O1 ZINC001479457993 1263207505 /nfs/dbraw/zinc/20/75/05/1263207505.db2.gz ZKZQJEYXBXTLBD-LPWJVIDDSA-N -1 3 363.418 0.743 10 0 FCAEHM CCOC(=O)[C@H](F)C1CN(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)C1 ZINC001479509413 1263236177 /nfs/dbraw/zinc/23/61/77/1263236177.db2.gz RPBGMWRRUVBISV-SMDDNHRTSA-N -1 3 367.381 0.304 10 0 FCAEHM CCN(CCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)Cc1cc(=O)n2[n-]ccc2n1 ZINC001479854373 1263412404 /nfs/dbraw/zinc/41/24/04/1263412404.db2.gz GGOMCUWZNTXHNF-OAGGEKHMSA-N -1 3 373.457 0.918 10 0 FCAEHM CC[C@@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)NCc1cc(=O)n2[n-]ccc2n1 ZINC001481853108 1263441131 /nfs/dbraw/zinc/44/11/31/1263441131.db2.gz JZLZXVNUAMNBOX-MYPMTAMASA-N -1 3 359.430 0.575 10 0 FCAEHM O=C(N[C@H](CNC(=O)[C@]12C[C@H]1COC2)C1CCCC1)c1cnc[n-]c1=O ZINC001506371981 1264315272 /nfs/dbraw/zinc/31/52/72/1264315272.db2.gz BCXCOCYTHHRMOT-WRSAYESZSA-N -1 3 360.414 0.624 10 0 FCAEHM CN(C[C@H](O)CNCc1nc(=O)n(C)[n-]1)C(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001507478582 1264364034 /nfs/dbraw/zinc/36/40/34/1264364034.db2.gz KNTZYVHPHCYUDJ-YNEHKIRRSA-N -1 3 353.467 0.090 10 0 FCAEHM C[C@@H](CNC(=O)c1nnc2ccccc2c1[O-])N(C)C(=O)[C@]12C[C@H]1COC2 ZINC001509111695 1264437089 /nfs/dbraw/zinc/43/70/89/1264437089.db2.gz LHLMJXQLGXYPLI-ZKTNFTSUSA-N -1 3 370.409 0.949 10 0 FCAEHM C[C@@H]1OCCO[C@@H]1C(=O)NCC1(NC(=O)c2cn[n-]n2)CCCCC1 ZINC001509273604 1264450203 /nfs/dbraw/zinc/45/02/03/1264450203.db2.gz BEHLYPOWEVHSKP-AAEUAGOBSA-N -1 3 351.407 0.158 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)N[C@@H](CO)CNC(=O)CCc1c(C)nc[n-]c1=O ZINC001511008305 1264530479 /nfs/dbraw/zinc/53/04/79/1264530479.db2.gz SXHKZCDKWYCBSF-YRGRVCCFSA-N -1 3 350.419 0.063 10 0 FCAEHM CC(C)C[C@@H]1C[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1cccc2n[n-]nc21 ZINC001511116873 1264542588 /nfs/dbraw/zinc/54/25/88/1264542588.db2.gz JDRDXOMWRSDITI-MBNYWOFBSA-N -1 3 359.430 0.847 10 0 FCAEHM CCOCC(=O)N1CC[C@H]2CN(C(=O)c3ccc4c(c3)C(=O)[N-]C4=O)C[C@H]21 ZINC001512774204 1264646015 /nfs/dbraw/zinc/64/60/15/1264646015.db2.gz LXYYMESDOWZDFD-SWLSCSKDSA-N -1 3 371.393 0.280 10 0 FCAEHM COCCC[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001513307832 1265028686 /nfs/dbraw/zinc/02/86/86/1265028686.db2.gz ZVFGSBULAPZWPQ-YRGRVCCFSA-N -1 3 350.419 0.822 10 0 FCAEHM CC/C=C(\C)C(=O)N[C@@H]1CN(C(=O)c2nnc3ccccc3c2[O-])C[C@@H]1O ZINC001513460951 1265133388 /nfs/dbraw/zinc/13/33/88/1265133388.db2.gz CCOJRFRLPKNOMN-WTMFUUHESA-N -1 3 370.409 0.993 10 0 FCAEHM CN1CCN(CCNC(=O)N[C@H](CC2CCOCC2)C(=O)[O-])CC1(C)C ZINC001332605649 1266440122 /nfs/dbraw/zinc/44/01/22/1266440122.db2.gz DNMQKWLMERYMMI-OAHLLOKOSA-N -1 3 370.494 0.582 10 0 FCAEHM CC(=O)NC1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cn[n-]n2)C3)CCCC1 ZINC001522301298 1266479177 /nfs/dbraw/zinc/47/91/77/1266479177.db2.gz TZHADGCJEALTTG-BZPMIXESSA-N -1 3 360.418 0.115 10 0 FCAEHM CSc1nc(C)c(CCC(=O)N2CCN(C3CN(C)C3)CC2)c(=O)[n-]1 ZINC001528969247 1267015392 /nfs/dbraw/zinc/01/53/92/1267015392.db2.gz JXMRPFXOQCPIGH-UHFFFAOYSA-N -1 3 365.503 0.603 10 0 FCAEHM Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CC(CCO)(NC(=O)c2cn[n-]n2)C1 ZINC001334638144 1267118634 /nfs/dbraw/zinc/11/86/34/1267118634.db2.gz LTPCBCHFNQEXQJ-LSDHHAIUSA-N -1 3 369.425 0.610 10 0 FCAEHM CC[C@@H](CNC(=O)c1c(C)nc[n-]c1=O)NC(=O)[C@H]1OCC[C@H]1CC ZINC001531412882 1267134741 /nfs/dbraw/zinc/13/47/41/1267134741.db2.gz IFQJZUDMTIRBJF-DYEKYZERSA-N -1 3 350.419 0.930 10 0 FCAEHM COC[C@H](NC(=O)C(=O)NCc1ccc([O-])c(F)c1)[C@@H]1CCCOC1 ZINC001334708046 1267146024 /nfs/dbraw/zinc/14/60/24/1267146024.db2.gz UWWPGWPADJDNTF-OCCSQVGLSA-N -1 3 354.378 0.705 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC/C=C\CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001533591785 1267231612 /nfs/dbraw/zinc/23/16/12/1267231612.db2.gz AILPWVJYJBQFCT-KBIGUFJUSA-N -1 3 370.413 0.430 10 0 FCAEHM C[C@H](CNC(=O)c1ccccc1[O-])NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001533841139 1267242615 /nfs/dbraw/zinc/24/26/15/1267242615.db2.gz IVOJTZRCKWEDLC-JMSVASOKSA-N -1 3 363.414 0.440 10 0 FCAEHM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC001544021818 1267567008 /nfs/dbraw/zinc/56/70/08/1267567008.db2.gz RRMLFTSSPBLOIZ-ZDUSSCGKSA-N -1 3 353.423 0.183 10 0 FCAEHM COC(=O)[C@]1(C)C[C@H](OC)CN1C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC001544161420 1267571674 /nfs/dbraw/zinc/57/16/74/1267571674.db2.gz YBCJIPOCNYVQKE-SJCJKPOMSA-N -1 3 351.403 0.911 10 0 FCAEHM O=C(NCCCO)C1CCN(C(=O)c2c[n-]c3ccccc3c2=O)CC1 ZINC001545667149 1267619866 /nfs/dbraw/zinc/61/98/66/1267619866.db2.gz KFDRCHUNJWWAMN-UHFFFAOYSA-N -1 3 357.410 0.879 10 0 FCAEHM NC(=O)[C@@H]1CCCN(c2ccc(C(=O)NCCCc3c[n-][nH]c3=O)cc2)C1 ZINC001557701209 1268968523 /nfs/dbraw/zinc/96/85/23/1268968523.db2.gz GWWHDOZWCCRFEW-HUUCEWRRSA-N -1 3 371.441 0.630 10 0 FCAEHM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)C1CCN(CC(F)F)CC1 ZINC001558048281 1269011236 /nfs/dbraw/zinc/01/12/36/1269011236.db2.gz GOBIGAXXNUHZBJ-UHFFFAOYSA-N -1 3 356.373 0.848 10 0 FCAEHM O=C(c1ccc(CN2CCOCC2)o1)N1CCC(Cc2nnn[n-]2)CC1 ZINC001558177360 1269045995 /nfs/dbraw/zinc/04/59/95/1269045995.db2.gz CTQCCLRIABOMQV-UHFFFAOYSA-N -1 3 360.418 0.720 10 0 FCAEHM O=C(c1ccc(CN2CCOCC2)o1)N1CCC(Cc2nn[n-]n2)CC1 ZINC001558177360 1269046004 /nfs/dbraw/zinc/04/60/04/1269046004.db2.gz CTQCCLRIABOMQV-UHFFFAOYSA-N -1 3 360.418 0.720 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)c3cccc(-n4cncn4)n3)CC2)n1 ZINC001558399519 1269083841 /nfs/dbraw/zinc/08/38/41/1269083841.db2.gz QRFQMUQPDDFQGV-UHFFFAOYSA-N -1 3 366.385 0.429 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)c3ccc(NC(N)=O)cc3)CC2)n1 ZINC001558397572 1269084520 /nfs/dbraw/zinc/08/45/20/1269084520.db2.gz QAFHWXCZWXZTCI-UHFFFAOYSA-N -1 3 356.386 0.944 10 0 FCAEHM O=C(NCc1cn(CC(F)(F)F)c(=O)[nH]c1=O)c1cccc2n[n-]nc21 ZINC001558419639 1269087708 /nfs/dbraw/zinc/08/77/08/1269087708.db2.gz KAHWGEGSDVMHFD-UHFFFAOYSA-N -1 3 368.275 0.713 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)[C@H](C)CNC(=O)OC(C)(C)C)[n-]1 ZINC001558965541 1269155244 /nfs/dbraw/zinc/15/52/44/1269155244.db2.gz AIGZZAMXWSZIGN-SECBINFHSA-N -1 3 355.395 0.758 10 0 FCAEHM CS(=O)(=O)C1(CNC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)CCC1 ZINC001564685588 1269429381 /nfs/dbraw/zinc/42/93/81/1269429381.db2.gz JGIHJNOUPWZUHV-LLVKDONJSA-N -1 3 369.447 0.027 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@@H]1CN(C(=O)c2cnco2)C[C@H]1C ZINC001342394577 1269456812 /nfs/dbraw/zinc/45/68/12/1269456812.db2.gz ABVCGJJQNAAQHT-ZWNOBZJWSA-N -1 3 359.386 0.688 10 0 FCAEHM CC(C)(CNC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)CS(C)(=O)=O ZINC001565331972 1269463929 /nfs/dbraw/zinc/46/39/29/1269463929.db2.gz ZVDRLYFYLDHMBW-LLVKDONJSA-N -1 3 371.463 0.131 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1c(Br)nc2n1CCOC2 ZINC001565612132 1269481851 /nfs/dbraw/zinc/48/18/51/1269481851.db2.gz DENOUOFBHRGELS-MRVPVSSYSA-N -1 3 370.207 0.418 10 0 FCAEHM O=C(CCOCC(F)(F)F)NC[C@H]1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001565901136 1269512284 /nfs/dbraw/zinc/51/22/84/1269512284.db2.gz NPVSRTVZCUFLQO-VHSXEESVSA-N -1 3 365.356 0.854 10 0 FCAEHM CO[C@H](C)CCC(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]2C1 ZINC001566043361 1269573565 /nfs/dbraw/zinc/57/35/65/1269573565.db2.gz XYSIPDOSJQEFGO-MCIONIFRSA-N -1 3 351.451 0.204 10 0 FCAEHM CC[C@H](SC)C(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1OC ZINC001342832555 1269630680 /nfs/dbraw/zinc/63/06/80/1269630680.db2.gz CPQKYIJGHQXXRA-UTUOFQBUSA-N -1 3 368.459 0.588 10 0 FCAEHM COc1ccc(CNC(=O)C=CC(=O)N2CCc3nc[n-]c(=O)c3C2)cc1 ZINC001567762400 1269707464 /nfs/dbraw/zinc/70/74/64/1269707464.db2.gz QYDOYJRICZJPAF-VOTSOKGWSA-N -1 3 368.393 0.948 10 0 FCAEHM CO[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1NC(=O)CCC(F)F ZINC001342985606 1269714623 /nfs/dbraw/zinc/71/46/23/1269714623.db2.gz NOSQCBCSSGMBIA-NXEZZACHSA-N -1 3 358.345 0.492 10 0 FCAEHM COC[C@@H](C)CC(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1OC ZINC001343082244 1269761716 /nfs/dbraw/zinc/76/17/16/1269761716.db2.gz FZVXWPDPIPIMIV-CYZMBNFOSA-N -1 3 366.418 0.119 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CC[C@@](O)(C(F)F)C1 ZINC001569310955 1269775951 /nfs/dbraw/zinc/77/59/51/1269775951.db2.gz AENYMYAMZLPXPZ-KRWDZBQOSA-N -1 3 364.352 0.911 10 0 FCAEHM CCCCCC[C@H](F)C(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1 ZINC001343487830 1269923784 /nfs/dbraw/zinc/92/37/84/1269923784.db2.gz CZMVAJYJWMNVIU-MJBXVCDLSA-N -1 3 368.409 0.792 10 0 FCAEHM CCO[C@H](CC)C(=O)N1C[C@H]2CCN(C(=O)c3c(C)nc[n-]c3=O)C[C@H]21 ZINC001343803345 1270016468 /nfs/dbraw/zinc/01/64/68/1270016468.db2.gz BKFGTZOGDVHJQU-MGPQQGTHSA-N -1 3 362.430 0.979 10 0 FCAEHM C[C@@H](CCCCNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)NC(=O)c1cn[n-]n1 ZINC001572741370 1270114814 /nfs/dbraw/zinc/11/48/14/1270114814.db2.gz HDZJWAAIKXHYLH-FPMFFAJLSA-N -1 3 359.434 0.747 10 0 FCAEHM CO[C@@H](C)C(=O)NC[C@H]1CC[C@@H](NC(=O)CCc2c(C)nc[n-]c2=O)C1 ZINC001344250458 1270119502 /nfs/dbraw/zinc/11/95/02/1270119502.db2.gz QISKEJFYLLNJGE-MELADBBJSA-N -1 3 364.446 0.859 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NCc1cc(=O)[n-]c(CNC(=O)Cc2c[nH]cn2)n1 ZINC001344651918 1270217301 /nfs/dbraw/zinc/21/73/01/1270217301.db2.gz VHWRIEIKPHUAIG-ZWNOBZJWSA-N -1 3 358.402 0.427 10 0 FCAEHM CC1(C(=O)NCc2cc(=O)[n-]c(CNC(=O)[C@]34C[C@H]3COC4)n2)CCC1 ZINC001344653016 1270217739 /nfs/dbraw/zinc/21/77/39/1270217739.db2.gz ZGNXUXSPXLHOGG-VOJFVSQTSA-N -1 3 360.414 0.641 10 0 FCAEHM CCC(CC)(CC)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1O ZINC001572847473 1270253158 /nfs/dbraw/zinc/25/31/58/1270253158.db2.gz AQPCKZKHMKXYGY-CHWSQXEVSA-N -1 3 350.419 0.700 10 0 FCAEHM CCOCCCC(=O)N1C[C@@H]2CN(C(=O)c3cnc[n-]c3=O)CC[C@@H]2C1 ZINC001345014106 1270298921 /nfs/dbraw/zinc/29/89/21/1270298921.db2.gz LJAGOOAXZCDVLE-KGLIPLIRSA-N -1 3 362.430 0.919 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1CC[C@H](NC(=O)CCc2ccncn2)[C@H]1C ZINC001573512075 1270799946 /nfs/dbraw/zinc/79/99/46/1270799946.db2.gz CVWIFSNYOBXQIW-OCCSQVGLSA-N -1 3 370.413 0.633 10 0 FCAEHM CC(C)(C)OCC(=O)N1C[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@]2(C)C1 ZINC001573737145 1270864709 /nfs/dbraw/zinc/86/47/09/1270864709.db2.gz GQWPFKJISMLILM-XIKOKIGWSA-N -1 3 362.430 0.918 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](CNC(=O)Cc2cc[nH]n2)[C@H](C)C1 ZINC001573808563 1270888684 /nfs/dbraw/zinc/88/86/84/1270888684.db2.gz QEIBILGRZPAJKF-ZYHUDNBSSA-N -1 3 358.402 0.281 10 0 FCAEHM Cn1[n-]c(CNC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2cccnc2)C2CC2)nc1=O ZINC001715122517 1287345948 /nfs/dbraw/zinc/34/59/48/1287345948.db2.gz YXMRSTQWBOYWLN-KHYOSLBOSA-N -1 3 370.457 0.682 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccnc(O[C@H]2CCOC2)c1 ZINC001603293310 1287347597 /nfs/dbraw/zinc/34/75/97/1287347597.db2.gz VYZYNTKDPMRXDY-KBPBESRZSA-N -1 3 371.397 0.754 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cccnc1-n1cccn1 ZINC001603293840 1287348354 /nfs/dbraw/zinc/34/83/54/1287348354.db2.gz ZBLVKINDTRWLAL-LBPRGKRZSA-N -1 3 351.370 0.772 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H](C)CCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001718433263 1287501581 /nfs/dbraw/zinc/50/15/81/1287501581.db2.gz KIBFQGNYPNDUHC-FEUBFEEPSA-N -1 3 374.441 0.929 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@H](C)CN(C)C(=O)[C@]12C[C@H]1COC2 ZINC001718557060 1287518407 /nfs/dbraw/zinc/51/84/07/1287518407.db2.gz YZDGLBJGZOXQGV-YNKQFZHNSA-N -1 3 362.430 0.423 10 0 FCAEHM C[C@@H](CNC(=O)c1cnc[n-]c1=O)CNC(=O)[C@@H]1C[C@H]1c1ccnn1C ZINC001582841840 1282040218 /nfs/dbraw/zinc/04/02/18/1282040218.db2.gz CGKKUFVBQUFYGN-IJLUTSLNSA-N -1 3 358.402 0.202 10 0 FCAEHM C[C@H]1Oc2ccccc2N(CC(=O)NCc2cc(=O)[n-]c(=S)[nH]2)C1=O ZINC001583369228 1282085209 /nfs/dbraw/zinc/08/52/09/1282085209.db2.gz PVTNRHNUZICHJT-SECBINFHSA-N -1 3 360.395 0.901 10 0 FCAEHM CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)c1 ZINC001631827448 1282118431 /nfs/dbraw/zinc/11/84/31/1282118431.db2.gz YQQDOXLAYCJOKG-SECBINFHSA-N -1 3 353.404 0.323 10 0 FCAEHM Nc1ncnc2c1ncn2CCCC(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001631831853 1282119420 /nfs/dbraw/zinc/11/94/20/1282119420.db2.gz IHELFXZNHULDKH-SNVBAGLBSA-N -1 3 356.390 0.634 10 0 FCAEHM Cc1ccc2c(c1)C(=O)N(CC(=O)NCc1cc(=O)[n-]c(=S)[nH]1)C2=O ZINC001631839690 1282122175 /nfs/dbraw/zinc/12/21/75/1282122175.db2.gz XMTNMHSFRBXPCH-UHFFFAOYSA-N -1 3 358.379 0.692 10 0 FCAEHM CCOC(=O)[C@H](NC(=O)c1cc(F)cc2n[n-]nc21)[C@@H](O)c1cccnc1 ZINC001631959042 1282143146 /nfs/dbraw/zinc/14/31/46/1282143146.db2.gz QYWXLGVPRLZQHJ-CABCVRRESA-N -1 3 373.344 0.887 10 0 FCAEHM Cc1cn2nc(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)cc2c(=O)[nH]1 ZINC001632766968 1282204713 /nfs/dbraw/zinc/20/47/13/1282204713.db2.gz BEMLASVZWMLULX-UHFFFAOYSA-N -1 3 350.342 0.441 10 0 FCAEHM COC(=O)CC(=O)NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1 ZINC001585161273 1282207213 /nfs/dbraw/zinc/20/72/13/1282207213.db2.gz XNOILTSMWWGWRE-UHFFFAOYSA-N -1 3 354.363 0.386 10 0 FCAEHM C[C@@H](C[S@](C)=O)NC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001632783400 1282207290 /nfs/dbraw/zinc/20/72/90/1282207290.db2.gz JDUGEWBAGUKSDX-VHMAXNEBSA-N -1 3 353.375 0.371 10 0 FCAEHM C[C@@H](C[S@](C)=O)NC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001632783400 1282207292 /nfs/dbraw/zinc/20/72/92/1282207292.db2.gz JDUGEWBAGUKSDX-VHMAXNEBSA-N -1 3 353.375 0.371 10 0 FCAEHM NC(=O)C1CCN(c2ncccc2CNC(=O)c2cnncc2[O-])CC1 ZINC001585475657 1282230253 /nfs/dbraw/zinc/23/02/53/1282230253.db2.gz TUNBTQJXPPGABV-UHFFFAOYSA-N -1 3 356.386 0.209 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)[C@H]1CCCN1C(=O)OCC(F)(F)F ZINC001585938158 1282258536 /nfs/dbraw/zinc/25/85/36/1282258536.db2.gz UDIOVKWACVZCOH-NXEZZACHSA-N -1 3 364.324 0.778 10 0 FCAEHM CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCc1c[n-][nH]c1=O ZINC001585938283 1282258650 /nfs/dbraw/zinc/25/86/50/1282258650.db2.gz VTQXLHXCQXRQBL-OLZOCXBDSA-N -1 3 370.450 0.933 10 0 FCAEHM CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)NCCCc1c[n-][nH]c1=O ZINC001585938527 1282258990 /nfs/dbraw/zinc/25/89/90/1282258990.db2.gz YJSIUGBVCBIFSX-RYUDHWBXSA-N -1 3 356.423 0.544 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccnc(C(=O)OC)c2)c(C)o1 ZINC001586020321 1282268463 /nfs/dbraw/zinc/26/84/63/1282268463.db2.gz UARNXLBLMUVVDJ-UHFFFAOYSA-N -1 3 367.383 0.608 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC([C@@H](F)C(N)=O)CC2)c(C)o1 ZINC001586490106 1282299326 /nfs/dbraw/zinc/29/93/26/1282299326.db2.gz ULNXSACLHBNLHM-GFCCVEGCSA-N -1 3 361.395 0.172 10 0 FCAEHM C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCCCc1c[n-][nH]c1=O ZINC001634139061 1282303722 /nfs/dbraw/zinc/30/37/22/1282303722.db2.gz XIBAGJZLQLTJEU-NXEZZACHSA-N -1 3 358.445 0.043 10 0 FCAEHM O=C(Cn1cnc(-c2ccccc2)cc1=O)NCCCc1c[n-][nH]c1=O ZINC001634143247 1282304212 /nfs/dbraw/zinc/30/42/12/1282304212.db2.gz GIYWCKOIBUVBEM-AWEZNQCLSA-N -1 3 353.382 0.539 10 0 FCAEHM COc1ccc(-n2nnc(C(=O)NCCCc3c[n-][nH]c3=O)c2C)cc1 ZINC001634138817 1282304321 /nfs/dbraw/zinc/30/43/21/1282304321.db2.gz OZLWBQAIUDHMMG-LBPRGKRZSA-N -1 3 356.386 0.826 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)N[C@H]1Cc2cccc(O)c2C1 ZINC001634243606 1282312427 /nfs/dbraw/zinc/31/24/27/1282312427.db2.gz KUZDEVGRRTVJBA-STQMWFEESA-N -1 3 355.398 0.933 10 0 FCAEHM CC(C)(C)n1ncnc1CNC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001634717236 1282350548 /nfs/dbraw/zinc/35/05/48/1282350548.db2.gz QTVUCHRMQLWTIT-NSHDSACASA-N -1 3 360.422 0.607 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)c3cc4c(cc3O)OCO4)CC2)n1 ZINC001634977342 1282369003 /nfs/dbraw/zinc/36/90/03/1282369003.db2.gz CLXOWKJPKIAIKM-UHFFFAOYSA-N -1 3 358.354 0.887 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)c3ccc4c(n3)OCCO4)CC2)n1 ZINC001634978405 1282369323 /nfs/dbraw/zinc/36/93/23/1282369323.db2.gz YOFOPVCTKUCUJY-UHFFFAOYSA-N -1 3 357.370 0.619 10 0 FCAEHM Cc1nc(C)c(CC(=O)N2CCC[C@H]2CNC(=O)c2cnn(C)c2)c(=O)[n-]1 ZINC001635447712 1282405874 /nfs/dbraw/zinc/40/58/74/1282405874.db2.gz GLWFEQCHUGNLCI-AWEZNQCLSA-N -1 3 372.429 0.496 10 0 FCAEHM COC(=O)[C@@]1([N-]C(=O)C(F)(F)c2ccccc2NC(C)=O)C[C@H](O)C1 ZINC001588266884 1282414697 /nfs/dbraw/zinc/41/46/97/1282414697.db2.gz FHALZFOYUJKZRE-AVCCJPFPSA-N -1 3 356.325 0.920 10 0 FCAEHM COCc1nn(C)cc1C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001635658540 1282423369 /nfs/dbraw/zinc/42/33/69/1282423369.db2.gz ZQMSCKCNVJWOQH-UHFFFAOYSA-N -1 3 358.398 0.870 10 0 FCAEHM CC(=O)NCCNC(=O)CCC(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001636085491 1282459377 /nfs/dbraw/zinc/45/93/77/1282459377.db2.gz JADHCOVPYDABAY-ZETCQYMHSA-N -1 3 364.328 0.033 10 0 FCAEHM Cn1cc(CNC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)c(=O)[nH]c1=O ZINC001636262049 1282476735 /nfs/dbraw/zinc/47/67/35/1282476735.db2.gz MMHLKHSMVYURAF-UHFFFAOYSA-N -1 3 362.292 0.536 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCCC[C@@H]1CCOC1 ZINC001636739290 1282533034 /nfs/dbraw/zinc/53/30/34/1282533034.db2.gz PDQNUGGXLBITHY-SECBINFHSA-N -1 3 360.208 0.644 10 0 FCAEHM COc1cc(COCC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)ccn1 ZINC001636855841 1282542364 /nfs/dbraw/zinc/54/23/64/1282542364.db2.gz SUZPUXPWWWBRMN-ZDUSSCGKSA-N -1 3 359.386 0.498 10 0 FCAEHM CCCOc1ccnc(CC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)n1 ZINC001636855228 1282543308 /nfs/dbraw/zinc/54/33/08/1282543308.db2.gz MIMSAYHYMBOZGY-GFCCVEGCSA-N -1 3 358.402 0.699 10 0 FCAEHM O=C(NCc1cc2n(n1)CCCO2)c1ccc(-n2[n-]c(=O)[nH]c2=O)cc1 ZINC001636937694 1282547158 /nfs/dbraw/zinc/54/71/58/1282547158.db2.gz JUVYQOFZQMIJNC-UHFFFAOYSA-N -1 3 356.342 0.175 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CC[C@@H](O)[C@@H](O)CC2)ccc1F ZINC001638747191 1282717944 /nfs/dbraw/zinc/71/79/44/1282717944.db2.gz WHBRGQSMYSRGLC-LMKPVCQUSA-N -1 3 360.407 0.128 10 0 FCAEHM O=C(NC[C@H](CO)Cc1ccco1)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001638865482 1282728965 /nfs/dbraw/zinc/72/89/65/1282728965.db2.gz RIRHZMFBCGJBCV-CHWSQXEVSA-N -1 3 361.402 0.504 10 0 FCAEHM COC(=O)[C@]1(C)CCCN(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)C1 ZINC001638868595 1282729101 /nfs/dbraw/zinc/72/91/01/1282729101.db2.gz JUTSYMFHLHGTTR-YVEFUNNKSA-N -1 3 363.418 0.746 10 0 FCAEHM Cc1nc(C)c(CCC(=O)N2CCC3(CC2)C[C@H](O)CNC3=O)c(=O)[n-]1 ZINC001639099146 1282747062 /nfs/dbraw/zinc/74/70/62/1282747062.db2.gz PBAOHNPGSIYSCU-ZDUSSCGKSA-N -1 3 362.430 0.221 10 0 FCAEHM CCOC(OCC)[C@H](C)NC(=O)C[N-]S(=O)(=O)c1c(C)noc1C ZINC001639138323 1282751752 /nfs/dbraw/zinc/75/17/52/1282751752.db2.gz CLLYGQOQAABDRU-JTQLQIEISA-N -1 3 363.436 0.474 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](c3cnccn3)C2)c(C)o1 ZINC001639250395 1282763394 /nfs/dbraw/zinc/76/33/94/1282763394.db2.gz FRAMHFKVFCLEAS-NSHDSACASA-N -1 3 350.400 0.916 10 0 FCAEHM O=C(Cc1c[nH]cn1)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC001639257250 1282763718 /nfs/dbraw/zinc/76/37/18/1282763718.db2.gz ACNKIRDWAUBDME-UHFFFAOYSA-N -1 3 360.798 0.839 10 0 FCAEHM CCOC(=O)C(C)(C)O[N-]C(=O)CCOC(=O)CNC(=O)C(C)(C)C ZINC001639276790 1282766636 /nfs/dbraw/zinc/76/66/36/1282766636.db2.gz FLSDYCHCKSTUDZ-UHFFFAOYSA-N -1 3 360.407 0.472 10 0 FCAEHM C[S@@](=O)C1(CNC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])CC1 ZINC001639346714 1282773569 /nfs/dbraw/zinc/77/35/69/1282773569.db2.gz VPLWHKCTUORXIC-RUZDIDTESA-N -1 3 365.386 0.515 10 0 FCAEHM C[S@@](=O)C1(CNC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)CC1 ZINC001639346714 1282773578 /nfs/dbraw/zinc/77/35/78/1282773578.db2.gz VPLWHKCTUORXIC-RUZDIDTESA-N -1 3 365.386 0.515 10 0 FCAEHM O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001640104472 1282838223 /nfs/dbraw/zinc/83/82/23/1282838223.db2.gz DHXXTMYPVGNBRS-RWMBFGLXSA-N -1 3 373.413 0.052 10 0 FCAEHM COC(=O)c1ccccc1CC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001640109284 1282839734 /nfs/dbraw/zinc/83/97/34/1282839734.db2.gz CTGKKWSRVIQXAE-CYBMUJFWSA-N -1 3 356.382 0.906 10 0 FCAEHM CCOC(=O)N1C[C@@H](CO)[C@H](NC(=O)c2ccc(C(C)=O)c([O-])c2)C1 ZINC001640283648 1282850541 /nfs/dbraw/zinc/85/05/41/1282850541.db2.gz HEZKEPONVCNIKP-GXTWGEPZSA-N -1 3 350.371 0.774 10 0 FCAEHM COC(=O)[C@@](C)(CO)[N-]C(=O)C(F)(F)n1cc(-c2ccccc2)nn1 ZINC001642437999 1283009934 /nfs/dbraw/zinc/00/99/34/1283009934.db2.gz UYRVVKSPJOJHSQ-CQSZACIVSA-N -1 3 354.313 0.535 10 0 FCAEHM COC(=O)[C@@]1(OC)CCN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC001680399047 1283429155 /nfs/dbraw/zinc/42/91/55/1283429155.db2.gz OMECSYYRJABQNF-LLVKDONJSA-N -1 3 351.285 0.297 10 0 FCAEHM CCO[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)c3cnc[n-]c3=O)[C@@H]2C1)C(C)C ZINC001682241176 1283543514 /nfs/dbraw/zinc/54/35/14/1283543514.db2.gz AZBFQPQQJXVFOF-NWANDNLSSA-N -1 3 362.430 0.916 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1CC[C@H]2CN(C(=O)COCC3CC3)C[C@H]21 ZINC001682282648 1283555096 /nfs/dbraw/zinc/55/50/96/1283555096.db2.gz ZQTSHHATPNXWBD-UONOGXRCSA-N -1 3 360.414 0.590 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CN(C(=O)COCC(F)F)C[C@H]1C ZINC001683041022 1283844787 /nfs/dbraw/zinc/84/47/87/1283844787.db2.gz TZJYGNOUAVUPDK-PSASIEDQSA-N -1 3 358.345 0.349 10 0 FCAEHM C[C@@H](CC(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@@H]1O)c1ccncc1 ZINC001683546884 1284027666 /nfs/dbraw/zinc/02/76/66/1284027666.db2.gz PFSRFMFIUCAKED-GLQYFDAESA-N -1 3 371.397 0.073 10 0 FCAEHM C[C@@H](Oc1ccccn1)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC001702544401 1285715543 /nfs/dbraw/zinc/71/55/43/1285715543.db2.gz XPRDOEFOHIMQMQ-FRRDWIJNSA-N -1 3 358.402 0.682 10 0 FCAEHM COCCC(=O)N1CC[C@H](NC(=O)Cc2c(C)nc(C)[n-]c2=O)[C@H]1C ZINC001702699035 1285794048 /nfs/dbraw/zinc/79/40/48/1285794048.db2.gz JHZBHOGZAFIZRD-RISCZKNCSA-N -1 3 350.419 0.484 10 0 FCAEHM CNC(=O)CCCCC(=O)N1CC[C@H](NC(=O)c2cnc[n-]c2=O)[C@H]1C ZINC001702707715 1285804525 /nfs/dbraw/zinc/80/45/25/1285804525.db2.gz YXDOKFNVONULEP-YPMHNXCESA-N -1 3 363.418 0.208 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)c2cnc[n-]c2=O)CCN1C(=O)CCOCC(F)F ZINC001702707635 1285804720 /nfs/dbraw/zinc/80/47/20/1285804720.db2.gz VTQQKBIQEUZAFM-KOLCDFICSA-N -1 3 358.345 0.573 10 0 FCAEHM COCC[C@@H](C)C(=O)N1CC[C@H](NC(=O)c2c(C)nc[n-]c2=O)[C@H]1C ZINC001702720876 1285819276 /nfs/dbraw/zinc/81/92/76/1285819276.db2.gz YEPYYSFNWKZHGD-RTXFEEFZSA-N -1 3 350.419 0.882 10 0 FCAEHM COC[C@H](C)C(=O)N1CC[C@@]2(CNC(=O)c3cnc[n-]c3=O)CCC[C@@H]12 ZINC001702869229 1285959580 /nfs/dbraw/zinc/95/95/80/1285959580.db2.gz KLZCTFMZEJGNKQ-WPKBUWHJSA-N -1 3 362.430 0.966 10 0 FCAEHM CC(=O)N[C@@H](CC(C)C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn[n-]n1)C2 ZINC001702928858 1286005675 /nfs/dbraw/zinc/00/56/75/1286005675.db2.gz NIVNLUZBRABVGF-OSFYFWSMSA-N -1 3 362.434 0.217 10 0 FCAEHM COC[C@@H](OC)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(C)nc[n-]c1=O)C2 ZINC001703009528 1286051050 /nfs/dbraw/zinc/05/10/50/1286051050.db2.gz UEAKHKOESDMOBE-FVCCEPFGSA-N -1 3 364.402 0.014 10 0 FCAEHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](CNS(C)(=O)=O)C2)c1 ZINC001594869931 1286236436 /nfs/dbraw/zinc/23/64/36/1286236436.db2.gz CNFHSPVVFJEIGC-NSHDSACASA-N -1 3 355.416 0.362 10 0 FCAEHM Cc1nccn1CC(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC001597371318 1286340352 /nfs/dbraw/zinc/34/03/52/1286340352.db2.gz YPZHZDQPNSWUSD-UHFFFAOYSA-N -1 3 350.400 0.977 10 0 FCAEHM O=C(c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)N1CC(NC2COC2)C1 ZINC001598275134 1286384251 /nfs/dbraw/zinc/38/42/51/1286384251.db2.gz ZZCHXEVTSPRRAK-UHFFFAOYSA-N -1 3 369.418 0.079 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2cnc[n-]c2=O)CCN1CC(=O)NCC(C)(C)C ZINC001707197029 1286504088 /nfs/dbraw/zinc/50/40/88/1286504088.db2.gz WKWRGLPSILRBGB-UONOGXRCSA-N -1 3 363.462 0.927 10 0 FCAEHM CCO[C@@H](CC)C(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]2C1 ZINC001707210792 1287034717 /nfs/dbraw/zinc/03/47/17/1287034717.db2.gz CKRCQEAZYHZKBA-RDBSUJKOSA-N -1 3 351.451 0.204 10 0 FCAEHM CC(C)CNC(=O)CN1CC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@@H]2C1 ZINC001707216349 1287048382 /nfs/dbraw/zinc/04/83/82/1287048382.db2.gz BLXAPMKCCTUICL-KGLIPLIRSA-N -1 3 361.446 0.348 10 0 FCAEHM O=C(C/C=C/Cc1ccccc1)N1C[C@@H](NC(=O)c2cn[n-]n2)[C@@H](O)C1 ZINC001719287126 1288034308 /nfs/dbraw/zinc/03/43/08/1288034308.db2.gz KTGXLCLPTROASP-SGFLJFKBSA-N -1 3 355.398 0.295 10 0 FCAEHM C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC001736113995 1289154617 /nfs/dbraw/zinc/15/46/17/1289154617.db2.gz HRTHTWZMJZWXFQ-GRYCIOLGSA-N -1 3 364.450 0.370 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NCc1nc(CNC(=O)[C@@H](C)COC)cc(=O)[n-]1 ZINC001719524374 1288167438 /nfs/dbraw/zinc/16/74/38/1288167438.db2.gz YDHNSPCNJXGDFH-DMDPSCGWSA-N -1 3 350.419 0.743 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)Cc2c(C)nc(C)[n-]c2=O)CCN1C(=O)CCOC ZINC001719544718 1288174901 /nfs/dbraw/zinc/17/49/01/1288174901.db2.gz KHOLDUVQRPBYKP-LSDHHAIUSA-N -1 3 364.446 0.874 10 0 FCAEHM O=C(NCCNC(=O)[C@@H]1C[C@H]1c1ccco1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001720187175 1288216445 /nfs/dbraw/zinc/21/64/45/1288216445.db2.gz KPXBXKTXJWYXNI-TZMCWYRMSA-N -1 3 367.361 0.813 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001720941131 1288275973 /nfs/dbraw/zinc/27/59/73/1288275973.db2.gz OYAUJZRAHHYLJD-YUSALJHKSA-N -1 3 358.402 0.262 10 0 FCAEHM C[C@H](CNC(=O)c1cnc[n-]c1=O)CNC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001721600802 1288356185 /nfs/dbraw/zinc/35/61/85/1288356185.db2.gz IMEDNXCUVUUBNP-FPMFFAJLSA-N -1 3 355.398 0.863 10 0 FCAEHM O=C(NCC[C@@H]1CCCCN1C(=O)c1cnc[n-]c1=O)[C@]12C[C@H]1COC2 ZINC001721637497 1288362549 /nfs/dbraw/zinc/36/25/49/1288362549.db2.gz DTDADBVDZZGACP-LXIYXOSZSA-N -1 3 360.414 0.720 10 0 FCAEHM C[C@@]1(CNCc2n[nH]c(=O)[n-]2)CCN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC001724230161 1288434904 /nfs/dbraw/zinc/43/49/04/1288434904.db2.gz YGHSLJSMNFPRCI-IYOUNJFTSA-N -1 3 363.462 0.901 10 0 FCAEHM O=C(NC1(CCO)CN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1)c1cnc[n-]c1=O ZINC001726037208 1288487842 /nfs/dbraw/zinc/48/78/42/1288487842.db2.gz LNQSSKXQJQISTN-HZSPNIEDSA-N -1 3 372.425 0.478 10 0 FCAEHM CC(C)N(CCCNC(=O)[C@@H]1CCO[C@H]1C1CC1)Cc1nc(=O)n(C)[n-]1 ZINC001732011463 1288571330 /nfs/dbraw/zinc/57/13/30/1288571330.db2.gz XJPCCQLJEYGDNL-ZBFHGGJFSA-N -1 3 365.478 0.640 10 0 FCAEHM O=C([N-]CCCN1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1)C(F)(F)F ZINC001732103336 1288575415 /nfs/dbraw/zinc/57/54/15/1288575415.db2.gz SEKLKIYDOHUKMN-GHMZBOCLSA-N -1 3 359.352 0.382 10 0 FCAEHM CN(C[C@H](O)CNC(=O)c1cnc[n-]c1=O)C(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001735420163 1288736951 /nfs/dbraw/zinc/73/69/51/1288736951.db2.gz ALYCEFBDECBVSF-IJLUTSLNSA-N -1 3 360.370 0.128 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)N(CCNC(=O)c1cnc[n-]c1=O)CCOC ZINC001735473213 1288753320 /nfs/dbraw/zinc/75/33/20/1288753320.db2.gz ZUKAVNLLSLDFHL-OCCSQVGLSA-N -1 3 366.418 0.202 10 0 FCAEHM O=C(NCC1CC1)C(=O)N1CC[C@H]2CN(C(=O)c3ccccc3[O-])C[C@H]21 ZINC001735720131 1288797018 /nfs/dbraw/zinc/79/70/18/1288797018.db2.gz JUSPKWHSOIRFLC-DZGCQCFKSA-N -1 3 357.410 0.591 10 0 FCAEHM O=C(CCCn1cncn1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O ZINC001736588314 1289458464 /nfs/dbraw/zinc/45/84/64/1289458464.db2.gz VYUWCCRBPMJTNI-BNOWGMLFSA-N -1 3 371.401 0.116 10 0 FCAEHM O=C(NCCCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)c1cc(=O)[n-]c(C2CC2)n1 ZINC001736954343 1289500145 /nfs/dbraw/zinc/50/01/45/1289500145.db2.gz WBEIWSMKSRRRJR-VXGBXAGGSA-N -1 3 370.413 0.823 10 0 FCAEHM C[C@@H](CNC(=O)[C@@H]1CCO[C@H]1c1ccncc1)NC(=O)c1cnc[n-]c1=O ZINC001737564139 1289560454 /nfs/dbraw/zinc/56/04/54/1289560454.db2.gz ZMLIJAURNQCQNL-LNSITVRQSA-N -1 3 371.397 0.590 10 0 FCAEHM C[C@H](NC(=O)Cn1cnnn1)C(=O)Nc1cc(Br)ccc1[O-] ZINC001610910557 1289618748 /nfs/dbraw/zinc/61/87/48/1289618748.db2.gz JMUPZLQOPHATHI-ZETCQYMHSA-N -1 3 369.179 0.285 10 0 FCAEHM Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)N1CCc2c(=O)[n-]cnc2C1 ZINC001611150254 1289632141 /nfs/dbraw/zinc/63/21/41/1289632141.db2.gz VOOARNWGIQTWSK-UHFFFAOYSA-N -1 3 368.397 0.501 10 0 FCAEHM CC(C)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)NC(=O)c1cnc[n-]c1=O ZINC001738330195 1289662016 /nfs/dbraw/zinc/66/20/16/1289662016.db2.gz UUGFVGVLGIYMEU-NQBHXWOUSA-N -1 3 358.402 0.580 10 0 FCAEHM CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)NC(=O)c1cnc[n-]c1=O ZINC001738330198 1289662185 /nfs/dbraw/zinc/66/21/85/1289662185.db2.gz UUGFVGVLGIYMEU-WZRBSPASSA-N -1 3 358.402 0.580 10 0 FCAEHM COC(=O)[C@@H]1CN(C(=O)CCc2c(C)nc(C)[n-]c2=O)C[C@H]1C(=O)OC ZINC001611699983 1289667667 /nfs/dbraw/zinc/66/76/67/1289667667.db2.gz MOJXUULTOIUSRQ-CHWSQXEVSA-N -1 3 365.386 0.152 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NC1([C@H]2CCCO2)CCC1 ZINC001611699736 1289668735 /nfs/dbraw/zinc/66/87/35/1289668735.db2.gz DOIJSIVGXQKJNI-GFCCVEGCSA-N -1 3 357.432 0.788 10 0 FCAEHM Cc1nc(C)c(CCC(=O)NCc2cn(C(C)C)c(=O)[nH]c2=O)c(=O)[n-]1 ZINC001611705921 1289668901 /nfs/dbraw/zinc/66/89/01/1289668901.db2.gz DFMJPTHLEHXPOT-UHFFFAOYSA-N -1 3 361.402 0.891 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C=Cc1cc2cnn(C(C)C)c2[nH]c1=O ZINC001615925559 1289765133 /nfs/dbraw/zinc/76/51/33/1289765133.db2.gz LQLAAASZKZEHEY-ZRUQZJFASA-N -1 3 370.413 0.947 10 0 FCAEHM CCOC(Cn1cc(C(=O)N2CCc3nc[n-]c(=O)c3C2)cn1)OCC ZINC001616765387 1289792733 /nfs/dbraw/zinc/79/27/33/1289792733.db2.gz RJHONCXVNRTLGW-UHFFFAOYSA-N -1 3 361.402 0.976 10 0 FCAEHM CC(C)N(CCN(C)C(=O)c1cnc[n-]c1=O)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001739086546 1289799844 /nfs/dbraw/zinc/79/98/44/1289799844.db2.gz TXAREHUVGGALSR-WALBABNVSA-N -1 3 374.441 0.915 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(C(=O)[C@@]3(CC)CCNC3=O)CC2)n[n-]1 ZINC001618409404 1289905125 /nfs/dbraw/zinc/90/51/25/1289905125.db2.gz PMBTVFVTZUWKQX-KRWDZBQOSA-N -1 3 363.418 0.604 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(C(=O)[C@@]3(CC)CCNC3=O)CC2)[n-]1 ZINC001618409404 1289905130 /nfs/dbraw/zinc/90/51/30/1289905130.db2.gz PMBTVFVTZUWKQX-KRWDZBQOSA-N -1 3 363.418 0.604 10 0 FCAEHM Nc1nn2c([n-]1)nc(CN[C@@H](CO)c1cccc(C(F)(F)F)c1)cc2=O ZINC001620497275 1289993352 /nfs/dbraw/zinc/99/33/52/1289993352.db2.gz JVMZDKYCTVZOIR-NSHDSACASA-N -1 3 368.319 0.842 10 0 FCAEHM O=C(CN1CC[C@@H](c2nnn[n-]2)C1)N1CCN(Cc2ccsc2)CC1 ZINC001620536178 1289996799 /nfs/dbraw/zinc/99/67/99/1289996799.db2.gz NZTWAYAAYUOLIL-CQSZACIVSA-N -1 3 361.475 0.395 10 0 FCAEHM O=C(CN1CC[C@@H](c2nn[n-]n2)C1)N1CCN(Cc2ccsc2)CC1 ZINC001620536178 1289996805 /nfs/dbraw/zinc/99/68/05/1289996805.db2.gz NZTWAYAAYUOLIL-CQSZACIVSA-N -1 3 361.475 0.395 10 0 FCAEHM CCC[C@@H](C(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1)C(C)C ZINC001702364601 1290137582 /nfs/dbraw/zinc/13/75/82/1290137582.db2.gz CRNVBBRADANNNB-BNOWGMLFSA-N -1 3 350.419 0.556 10 0 FCAEHM C[C@H](Oc1ccccn1)C(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@@H]1O ZINC001702372665 1290155163 /nfs/dbraw/zinc/15/51/63/1290155163.db2.gz GDSPFOVDUPCPMO-BJJXKVORSA-N -1 3 371.393 0.556 10 0 FCAEHM CC/C(C)=C/C(=O)N1C[C@@H](NC(=O)c2cc(=O)[n-]c(C3CC3)n2)[C@@H](O)C1 ZINC001739640136 1290281124 /nfs/dbraw/zinc/28/11/24/1290281124.db2.gz IHYMFKZWHZCEQL-BBVLPBNKSA-N -1 3 360.414 0.717 10 0 FCAEHM CCCC[C@@](C)(F)C(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1 ZINC001739645840 1290290418 /nfs/dbraw/zinc/29/04/18/1290290418.db2.gz VXCRTGSBNXPMEH-BFQNTYOBSA-N -1 3 354.382 0.402 10 0 FCAEHM C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001624946293 1290307468 /nfs/dbraw/zinc/30/74/68/1290307468.db2.gz XTUBCFBYWVHRSQ-QWRGUYRKSA-N -1 3 374.372 0.600 10 0 FCAEHM C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001624946293 1290307477 /nfs/dbraw/zinc/30/74/77/1290307477.db2.gz XTUBCFBYWVHRSQ-QWRGUYRKSA-N -1 3 374.372 0.600 10 0 FCAEHM C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001624946285 1290307977 /nfs/dbraw/zinc/30/79/77/1290307977.db2.gz XTUBCFBYWVHRSQ-GHMZBOCLSA-N -1 3 374.372 0.600 10 0 FCAEHM C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001624946285 1290307988 /nfs/dbraw/zinc/30/79/88/1290307988.db2.gz XTUBCFBYWVHRSQ-GHMZBOCLSA-N -1 3 374.372 0.600 10 0 FCAEHM COC(=O)[C@H]1CCCN(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001626198571 1290380322 /nfs/dbraw/zinc/38/03/22/1290380322.db2.gz QAEFTYVJZAEFJY-LBPRGKRZSA-N -1 3 358.358 0.217 10 0 FCAEHM C[C@]1(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CCN(C(=O)c2cnc[n-]c2=O)C1 ZINC001739845695 1290408361 /nfs/dbraw/zinc/40/83/61/1290408361.db2.gz ODCJJEOIOWWWQK-LSIMKLPESA-N -1 3 360.414 0.718 10 0 FCAEHM COC[C@@H](C)CC(=O)N[C@@H]1CC[C@H](CNC(=O)c2cnc[n-]c2=O)C1 ZINC001739888714 1290424335 /nfs/dbraw/zinc/42/43/35/1290424335.db2.gz NSQKGTZPWQFYGJ-RWMBFGLXSA-N -1 3 350.419 0.870 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2[nH]nc(C)c2[O-])CCN1C(=O)CN(C)C(C)C ZINC001739999496 1290462657 /nfs/dbraw/zinc/46/26/57/1290462657.db2.gz YZCCGDPHZLPKOU-QWHCGFSZSA-N -1 3 351.451 0.873 10 0 FCAEHM COC[C@H](C)C(=O)N1C[C@@H]2CN(C(=O)c3c(C)nc[n-]c3=O)CC[C@@H]2C1 ZINC001740027444 1290472871 /nfs/dbraw/zinc/47/28/71/1290472871.db2.gz KDDQMEQDFZHWHV-YUTCNCBUSA-N -1 3 362.430 0.694 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCC2N=NC(=O)N2C2CC2)c(C)o1 ZINC001627940908 1290496657 /nfs/dbraw/zinc/49/66/57/1290496657.db2.gz ALJXSJUNSDZFFW-UHFFFAOYSA-N -1 3 355.376 0.058 10 0 FCAEHM CO[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)CCc2c(C)nc[n-]c2=O)C[C@H]1C ZINC001740160887 1290501156 /nfs/dbraw/zinc/50/11/56/1290501156.db2.gz SZRBGVRWCNGUPG-KWCYVHTRSA-N -1 3 364.446 0.669 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NCC[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1C ZINC001740227906 1290519087 /nfs/dbraw/zinc/51/90/87/1290519087.db2.gz PJZVLZYUVAPTLX-MWLCHTKSSA-N -1 3 359.390 0.137 10 0 FCAEHM C[C@H](C(=O)NCc1cc(=O)[n-]c(=S)[nH]1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC001628254578 1290520317 /nfs/dbraw/zinc/52/03/17/1290520317.db2.gz ADEFDKUZQWPWGG-FBIMIBRVSA-N -1 3 364.427 0.651 10 0 FCAEHM CCOC(=O)[C@H]1CCCN(CC(=O)NCc2cc(=O)[n-]c(=S)[nH]2)C1 ZINC001628258691 1290520339 /nfs/dbraw/zinc/52/03/39/1290520339.db2.gz CSTQDZYKNBDEON-JTQLQIEISA-N -1 3 354.432 0.362 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C(=Cc1ccccc1)n1nnnc1C ZINC001628270162 1290522088 /nfs/dbraw/zinc/52/20/88/1290522088.db2.gz OBIXLMVZNALWKJ-MKRLJBPISA-N -1 3 353.386 0.608 10 0 FCAEHM CCn1ncc(C(=O)Nc2n[n-]c(CC(=O)OC)n2)c1Br ZINC001628596095 1290543497 /nfs/dbraw/zinc/54/34/97/1290543497.db2.gz QMLNVKQWNCDETK-UHFFFAOYSA-N -1 3 357.168 0.751 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(S(=O)(=O)NC)CC2)c1 ZINC001628683733 1290548895 /nfs/dbraw/zinc/54/88/95/1290548895.db2.gz XOKWOPMSFHRSNC-UHFFFAOYSA-N -1 3 367.427 0.671 10 0 FCAEHM CCOC(=O)c1nc([C@H](C)NC(=O)C=C(C)CN2CCOCC2)n[n-]1 ZINC001629029362 1290571038 /nfs/dbraw/zinc/57/10/38/1290571038.db2.gz KHBCIAAKHHCZHQ-MMRAYRKESA-N -1 3 351.407 0.437 10 0 FCAEHM CCOC(=O)c1nnc([C@H](C)NC(=O)C=C(C)CN2CCOCC2)[n-]1 ZINC001629029362 1290571043 /nfs/dbraw/zinc/57/10/43/1290571043.db2.gz KHBCIAAKHHCZHQ-MMRAYRKESA-N -1 3 351.407 0.437 10 0 FCAEHM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)/C=C(/C)CN2CCOCC2)n1 ZINC001629029362 1290571049 /nfs/dbraw/zinc/57/10/49/1290571049.db2.gz KHBCIAAKHHCZHQ-MMRAYRKESA-N -1 3 351.407 0.437 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)/C=C\c3ccc(C(N)=O)o3)cc2n(C)c1=O ZINC001629057000 1290574328 /nfs/dbraw/zinc/57/43/28/1290574328.db2.gz GYNMRLHIDMBLBF-XQRVVYSFSA-N -1 3 356.338 0.926 10 0 FCAEHM Cc1nc(C)c(CC(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)c(=O)[n-]1 ZINC001629993044 1290639299 /nfs/dbraw/zinc/63/92/99/1290639299.db2.gz XTRKSFRLOWOQPF-QGZVFWFLSA-N -1 3 361.402 0.178 10 0 FCAEHM COCCN(CC(=O)NCCCc1c[n-][nH]c1=O)C(=O)OC(C)(C)C ZINC001630632931 1290684089 /nfs/dbraw/zinc/68/40/89/1290684089.db2.gz ZWCKBUAFPORNSX-GFCCVEGCSA-N -1 3 356.423 0.498 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)C2N=NC(=O)N2C)ccc1F ZINC001643993821 1290934854 /nfs/dbraw/zinc/93/48/54/1290934854.db2.gz AQGPQHPYYIOMMD-SSDOTTSWSA-N -1 3 357.367 0.059 10 0 FCAEHM Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)cc1 ZINC001644260537 1290950794 /nfs/dbraw/zinc/95/07/94/1290950794.db2.gz AYXMTOYAHFWJFV-LBPRGKRZSA-N -1 3 364.427 0.718 10 0 FCAEHM CCn1c2ccc(C(=O)NCc3cc(=O)[n-]c(=S)[nH]3)cc2[nH]c(=O)c1=O ZINC001644268931 1290951365 /nfs/dbraw/zinc/95/13/65/1290951365.db2.gz RMDYHNPYMGAUGS-UHFFFAOYSA-N -1 3 373.394 0.424 10 0 FCAEHM CC(C)(C)OC(=O)[C@@]1(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)CCCO1 ZINC001644272687 1290951538 /nfs/dbraw/zinc/95/15/38/1290951538.db2.gz GFGUJRKJVDFETI-HNNXBMFYSA-N -1 3 355.416 0.978 10 0 FCAEHM CC(C)(C)OCC(=O)NC(C)(C)C(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001644273224 1290952157 /nfs/dbraw/zinc/95/21/57/1290952157.db2.gz SHFRPUTWMIZXFK-UHFFFAOYSA-N -1 3 356.448 0.797 10 0 FCAEHM Cn1ncnc1C1(O)CN(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)C1 ZINC001644618604 1290967222 /nfs/dbraw/zinc/96/72/22/1290967222.db2.gz CMIJHQZXBOEPKJ-UHFFFAOYSA-N -1 3 359.773 0.654 10 0 FCAEHM Cn1nnc(Br)c1C(=O)N1CCC(Cc2nnn[n-]2)CC1 ZINC001644765539 1290982772 /nfs/dbraw/zinc/98/27/72/1290982772.db2.gz QTRLQUAMWWFSHN-UHFFFAOYSA-N -1 3 355.200 0.186 10 0 FCAEHM Cn1nnc(Br)c1C(=O)N1CCC(Cc2nn[n-]n2)CC1 ZINC001644765539 1290982776 /nfs/dbraw/zinc/98/27/76/1290982776.db2.gz QTRLQUAMWWFSHN-UHFFFAOYSA-N -1 3 355.200 0.186 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)[C@H]3CC(c4cccnc4)=NO3)CC2)n1 ZINC001644863359 1290989704 /nfs/dbraw/zinc/98/97/04/1290989704.db2.gz IQMBLWUAWVQYGK-OAHLLOKOSA-N -1 3 368.397 0.727 10 0 FCAEHM Cc1c(C(=O)NCc2cc(=O)[n-]c(C3CC3)n2)nnn1-c1cnn(C)c1 ZINC001645198764 1291008204 /nfs/dbraw/zinc/00/82/04/1291008204.db2.gz BIKRCGIGQICOGC-UHFFFAOYSA-N -1 3 354.374 0.612 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCC2(C3(O)CCOCC3)CC2)c(C)o1 ZINC001645851807 1291046226 /nfs/dbraw/zinc/04/62/26/1291046226.db2.gz SSFVLGJUKIEUFG-UHFFFAOYSA-N -1 3 372.443 0.548 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC([C@@H]3COC(=O)N3)CC2)c(C)o1 ZINC001648093555 1291102319 /nfs/dbraw/zinc/10/23/19/1291102319.db2.gz DBNWKFKYWHAVNM-LBPRGKRZSA-N -1 3 371.415 0.457 10 0 FCAEHM O=C(CNC(=O)c1ccc([O-])cc1)N1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC001651209285 1291206459 /nfs/dbraw/zinc/20/64/59/1291206459.db2.gz HDLHODGERMYBHL-CQSZACIVSA-N -1 3 372.381 0.983 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)[C@H]3CC(c4cnn(C)c4)=NO3)CC2)n1 ZINC001652071140 1291257840 /nfs/dbraw/zinc/25/78/40/1291257840.db2.gz OONDKEPLYRJBBC-CQSZACIVSA-N -1 3 371.401 0.066 10 0 FCAEHM O=Cc1ccc(OC(F)(F)C(=O)[N-]Cc2nnc3c(=O)[nH]ccn23)cc1 ZINC001652105852 1291261434 /nfs/dbraw/zinc/26/14/34/1291261434.db2.gz XLJBHYZKBGGHHW-UHFFFAOYSA-N -1 3 363.280 0.518 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cccc(Cn2ccnn2)c1 ZINC001653312322 1291334080 /nfs/dbraw/zinc/33/40/80/1291334080.db2.gz HYPCEICPCQUXAF-OAHLLOKOSA-N -1 3 365.397 0.831 10 0 FCAEHM COC(=O)[C@@](C)(Cn1cccn1)NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC001653437198 1291342932 /nfs/dbraw/zinc/34/29/32/1291342932.db2.gz VTWCBAYXEYDSDP-QGZVFWFLSA-N -1 3 363.370 0.968 10 0 FCAEHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1CCCC[C@@H]1CCn1ccnn1 ZINC001653675626 1291362003 /nfs/dbraw/zinc/36/20/03/1291362003.db2.gz JWEHRSGYEXJJOD-CYBMUJFWSA-N -1 3 353.390 0.938 10 0 FCAEHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1CCCC[C@@H]1CCn1ccnn1 ZINC001653675626 1291362010 /nfs/dbraw/zinc/36/20/10/1291362010.db2.gz JWEHRSGYEXJJOD-CYBMUJFWSA-N -1 3 353.390 0.938 10 0 FCAEHM C[C@H](C(=O)NCC(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12)[C@H]1CCCO1 ZINC001654253525 1291402080 /nfs/dbraw/zinc/40/20/80/1291402080.db2.gz SMEUUNGTWYVIIB-JOYOIKCWSA-N -1 3 360.370 0.911 10 0 FCAEHM CN(CCNCc1cc(=O)n2[n-]ccc2n1)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001664085542 1291785956 /nfs/dbraw/zinc/78/59/56/1291785956.db2.gz JIIOVMGXIBFSIJ-PBHICJAKSA-N -1 3 359.430 0.386 10 0 FCAEHM CNC(=O)C1(C(=O)N2CC[C@@H]3CN(C(=O)c4ccccc4[O-])C[C@@H]3C2)CC1 ZINC001685038131 1292404398 /nfs/dbraw/zinc/40/43/98/1292404398.db2.gz QQNLTCOOPBDXRA-KGLIPLIRSA-N -1 3 371.437 0.839 10 0 FCAEHM CO[C@H](C)CC(=O)N[C@H]1CCN(C(=O)Cc2c(C)nc(C)[n-]c2=O)[C@@H]1C ZINC001685190295 1292446265 /nfs/dbraw/zinc/44/62/65/1292446265.db2.gz HZTYWXIHHJEDED-HCKVZZMMSA-N -1 3 364.446 0.872 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)c2cnc[n-]c2=O)CCN1C(=O)COC[C@H]1CCCO1 ZINC001685282749 1292481376 /nfs/dbraw/zinc/48/13/76/1292481376.db2.gz MDZROAQEFRLTIF-BZPMIXESSA-N -1 3 364.402 0.097 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)CCc2ccncc2)CCN1C(=O)c1cnc[n-]c1=O ZINC001685301646 1292489347 /nfs/dbraw/zinc/48/93/47/1292489347.db2.gz AXSUXNIYQLFWQW-DOMZBBRYSA-N -1 3 355.398 0.929 10 0 FCAEHM O=C(NC[C@H](O)c1ccccc1F)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001685575323 1292562701 /nfs/dbraw/zinc/56/27/01/1292562701.db2.gz VCPYZWKKAWXDSH-RISCZKNCSA-N -1 3 361.377 0.933 10 0 FCAEHM COc1ccccc1[C@@H](CO)NC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001685645684 1292582385 /nfs/dbraw/zinc/58/23/85/1292582385.db2.gz WKBZDAWBMAEDJA-GXTWGEPZSA-N -1 3 373.413 0.802 10 0 FCAEHM CC(C)[C@H](CO)NC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001685806947 1292642747 /nfs/dbraw/zinc/64/27/47/1292642747.db2.gz KZKNUUUHMBUTSB-VIFPVBQESA-N -1 3 369.896 0.996 10 0 FCAEHM O=C(CCOCC(F)(F)F)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn[n-]n1)C2 ZINC001686203963 1292822274 /nfs/dbraw/zinc/82/22/74/1292822274.db2.gz PCLTUMJYEMDGOT-KKZNHRDASA-N -1 3 361.324 0.635 10 0 FCAEHM O=C(N[C@@H]1CCOC12CCOCC2)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001687789836 1293012689 /nfs/dbraw/zinc/01/26/89/1293012689.db2.gz MUSZVRAPWULBGA-QWHCGFSZSA-N -1 3 363.418 0.398 10 0 FCAEHM NC(=O)[C@H](F)C1CCN(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)CC1 ZINC001687789463 1293013336 /nfs/dbraw/zinc/01/33/36/1293013336.db2.gz BIYUSVLGHOMXRY-BXUZGUMPSA-N -1 3 366.397 0.006 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CCC2(CNC(=O)C2)CC1 ZINC001687789983 1293014089 /nfs/dbraw/zinc/01/40/89/1293014089.db2.gz QPORRNNFIKXXJG-LBPRGKRZSA-N -1 3 360.418 0.073 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)NC[C@@H](C)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001688159436 1293044619 /nfs/dbraw/zinc/04/46/19/1293044619.db2.gz UMHUVEPFRRQPQV-IAGMWAGYSA-N -1 3 374.441 0.468 10 0 FCAEHM COC(=O)[C@H]1CCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C1 ZINC000746893297 836202432 /nfs/dbraw/zinc/20/24/32/836202432.db2.gz AGFOLRBVQQVCOI-NSHDSACASA-N -1 3 370.402 0.902 10 0 FCAEHM Cn1ccc(CNC(=O)C(=O)NCc2ccc([O-])c(Br)c2)n1 ZINC001117597990 847103212 /nfs/dbraw/zinc/10/32/12/847103212.db2.gz MPROYTCOAWWTSQ-UHFFFAOYSA-N -1 3 367.203 0.821 10 0 FCAEHM CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)CC1 ZINC001118241843 847340214 /nfs/dbraw/zinc/34/02/14/847340214.db2.gz PGNPUXBEDDLLTL-AWEZNQCLSA-N -1 3 351.447 0.787 10 0 FCAEHM FCC[C@@H]1CN(c2nnc(CCc3nnn[n-]3)n2CC2CC2)CCO1 ZINC001123407581 848590491 /nfs/dbraw/zinc/59/04/91/848590491.db2.gz PYDWSJHCQDREAY-GFCCVEGCSA-N -1 3 350.402 0.551 10 0 FCAEHM FCC[C@@H]1CN(c2nnc(CCc3nn[n-]n3)n2CC2CC2)CCO1 ZINC001123407581 848590503 /nfs/dbraw/zinc/59/05/03/848590503.db2.gz PYDWSJHCQDREAY-GFCCVEGCSA-N -1 3 350.402 0.551 10 0 FCAEHM CO[C@@H]1CN(c2nnc(-c3nnc(Cl)[n-]3)n2CC2CC2)C[C@@H]1OC ZINC001123689269 848623947 /nfs/dbraw/zinc/62/39/47/848623947.db2.gz DWPVPMLOUGVTEJ-AOOOYVTPSA-N -1 3 353.814 0.977 10 0 FCAEHM CO[C@@H]1CN(c2nnc(-c3n[n-]c(Cl)n3)n2CC2CC2)C[C@@H]1OC ZINC001123689269 848623952 /nfs/dbraw/zinc/62/39/52/848623952.db2.gz DWPVPMLOUGVTEJ-AOOOYVTPSA-N -1 3 353.814 0.977 10 0 FCAEHM CC[C@]1(C(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)CCNC1=O ZINC001126992945 848715049 /nfs/dbraw/zinc/71/50/49/848715049.db2.gz SCPUMWANHWYEBZ-HNNXBMFYSA-N -1 3 357.407 0.730 10 0 FCAEHM CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)/C=C/Cn1cncn1 ZINC001137301323 849262085 /nfs/dbraw/zinc/26/20/85/849262085.db2.gz GCJMIGFSCSMQPK-ZZXKWVIFSA-N -1 3 353.379 0.661 10 0 FCAEHM CNS(=O)(=O)CC(=O)Nc1ccc(I)cc1[O-] ZINC001138176434 849301073 /nfs/dbraw/zinc/30/10/73/849301073.db2.gz GFDXDGCEPQOFLP-UHFFFAOYSA-N -1 3 370.168 0.485 10 0 FCAEHM CO[C@H](C(=O)Nc1[n-]nc2cc(C)n(C)c(=O)c21)C(=O)OC(C)(C)C ZINC001142822048 849462963 /nfs/dbraw/zinc/46/29/63/849462963.db2.gz YOVARAJARKTKJY-LLVKDONJSA-N -1 3 350.375 0.865 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C1(n2cc(Br)cn2)CC1 ZINC001144232938 849513315 /nfs/dbraw/zinc/51/33/15/849513315.db2.gz OMLBYLOTTMPZEY-SNVBAGLBSA-N -1 3 354.208 0.763 10 0 FCAEHM CCS(=O)(=O)c1ccc(F)c(C(=O)NCCc2c(C)[n-][nH]c2=O)c1 ZINC001144232987 849513692 /nfs/dbraw/zinc/51/36/92/849513692.db2.gz RBGOAGDVRNSZSA-LLVKDONJSA-N -1 3 355.391 0.861 10 0 FCAEHM Cc1cc(NC(=O)CSCC(=O)NCc2cc(=O)[n-]c(=S)[nH]2)no1 ZINC001144519285 849524731 /nfs/dbraw/zinc/52/47/31/849524731.db2.gz JTGOOYGQQWVQSG-UHFFFAOYSA-N -1 3 369.428 0.755 10 0 FCAEHM O=C(c1c[n-]c2c(Cl)cccc2c1=O)N(CCO)CCOCCO ZINC001149360048 849636308 /nfs/dbraw/zinc/63/63/08/849636308.db2.gz OGMOBAPEXQTDFM-UHFFFAOYSA-N -1 3 354.790 0.625 10 0 FCAEHM CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)[N-]OCCN1CCCC1=O ZINC001149452712 849639917 /nfs/dbraw/zinc/63/99/17/849639917.db2.gz YCVXYEYIHXDUPZ-GFCCVEGCSA-N -1 3 359.423 0.586 10 0 FCAEHM O=C(CNS(=O)(=O)c1ccc(F)cc1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001164321321 850406987 /nfs/dbraw/zinc/40/69/87/850406987.db2.gz ILTDSLJNRYDJKX-JTQLQIEISA-N -1 3 368.390 0.549 10 0 FCAEHM CC(C)(C)OC(=O)NC1(CC(=O)NCCCc2c[n-][nH]c2=O)COC1 ZINC001168402035 850585463 /nfs/dbraw/zinc/58/54/63/850585463.db2.gz CODQBUJPEGPTFF-NSHDSACASA-N -1 3 354.407 0.298 10 0 FCAEHM O=C(CN1CC[C@H](c2nnn[n-]2)C1)NCCOc1cccc(Cl)c1 ZINC001197294644 853094898 /nfs/dbraw/zinc/09/48/98/853094898.db2.gz BORWPWWLBODVPZ-NSHDSACASA-N -1 3 350.810 0.838 10 0 FCAEHM O=C(CN1CC[C@H](c2nn[n-]n2)C1)NCCOc1cccc(Cl)c1 ZINC001197294644 853094903 /nfs/dbraw/zinc/09/49/03/853094903.db2.gz BORWPWWLBODVPZ-NSHDSACASA-N -1 3 350.810 0.838 10 0 FCAEHM CC[C@@H](NC(C)=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001266443322 859481909 /nfs/dbraw/zinc/48/19/09/859481909.db2.gz JFOWWKACNBLUDO-SECBINFHSA-N -1 3 367.880 0.711 10 0 FCAEHM O=C(NC1CN(CCC[N-]C(=O)C(F)(F)F)C1)[C@@H]1CCO[C@H]1C1CC1 ZINC001267654395 859513500 /nfs/dbraw/zinc/51/35/00/859513500.db2.gz WGKTWLDZHCVPKJ-OLZOCXBDSA-N -1 3 363.380 0.671 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)N[C@](C)(CNCc1nc(=O)n(C)[n-]1)C1CC1 ZINC001267855250 859518696 /nfs/dbraw/zinc/51/86/96/859518696.db2.gz FBZQEVHMEGJGFK-IIYDPXPESA-N -1 3 351.451 0.298 10 0 FCAEHM O=C(CCC(F)F)N1C[C@@H](O)[C@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC001281673255 863608176 /nfs/dbraw/zinc/60/81/76/863608176.db2.gz UZTGHRPVPVTQFY-GHMZBOCLSA-N -1 3 353.329 0.305 10 0 FCAEHM C[C@@H](CC(C)(C)C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001281681781 863622555 /nfs/dbraw/zinc/62/25/55/863622555.db2.gz VQGKMSYPGVKMQM-CYZMBNFOSA-N -1 3 350.419 0.556 10 0 FCAEHM COCC(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001281794284 863748349 /nfs/dbraw/zinc/74/83/49/863748349.db2.gz IJGLPHQNQREPEG-ZYHUDNBSSA-N -1 3 350.419 0.740 10 0 FCAEHM CC[C@@H](CC(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@@H]1O)C(C)C ZINC001281914674 863943605 /nfs/dbraw/zinc/94/36/05/863943605.db2.gz LVSGVBNVVQEYEP-YUTCNCBUSA-N -1 3 350.419 0.556 10 0 FCAEHM CCC(CC)(CC)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@@H]1O ZINC001281924303 863958673 /nfs/dbraw/zinc/95/86/73/863958673.db2.gz AQPCKZKHMKXYGY-OLZOCXBDSA-N -1 3 350.419 0.700 10 0 FCAEHM CCCC(C)(C)C(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@@H]1O ZINC001281927280 863964524 /nfs/dbraw/zinc/96/45/24/863964524.db2.gz ZOYKVUQZXYKXHQ-NEPJUHHUSA-N -1 3 350.419 0.618 10 0 FCAEHM O=C(CCOCC(F)(F)F)NC[C@H]1CC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC001290169218 865348868 /nfs/dbraw/zinc/34/88/68/865348868.db2.gz PQPPNKXTVRARSR-VHSXEESVSA-N -1 3 363.340 0.788 10 0 FCAEHM CCO[C@@H](CC)C(=O)N1C[C@@H](CNC(=O)c2cnc[n-]c2=O)[C@H](C)C1 ZINC001290935353 865562735 /nfs/dbraw/zinc/56/27/35/865562735.db2.gz ZDRVZMMSXUIYON-BZPMIXESSA-N -1 3 350.419 0.822 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)NCCNC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC001292763033 865750204 /nfs/dbraw/zinc/75/02/04/865750204.db2.gz CZWVDUFVTNTRSI-DOMZBBRYSA-N -1 3 350.419 0.389 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001292970554 865765782 /nfs/dbraw/zinc/76/57/82/865765782.db2.gz ZFUIOWWAYVGTJG-QMTHXVAHSA-N -1 3 351.428 0.822 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1ccnc(CO)c1 ZINC001296831912 865992041 /nfs/dbraw/zinc/99/20/41/865992041.db2.gz KORSQLHFCLMRLI-UHFFFAOYSA-N -1 3 371.365 0.560 10 0 FCAEHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)[C@]1(c2ccccc2)CCC(=O)NC1 ZINC001300197917 866214690 /nfs/dbraw/zinc/21/46/90/866214690.db2.gz KGEUKIZAALMJJG-QGZVFWFLSA-N -1 3 358.423 0.935 10 0 FCAEHM C[C@H](CC(=O)N1CC[C@@]2(O)C[C@H]2C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC001351088604 866774366 /nfs/dbraw/zinc/77/43/66/866774366.db2.gz WWWNUIFPIVVFDC-JRPNMDOOSA-N -1 3 373.862 0.775 10 0 FCAEHM Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1CCC(N2CC[C@H](O)C2)CC1 ZINC001352083731 867024894 /nfs/dbraw/zinc/02/48/94/867024894.db2.gz DPIXEJDCHZATEF-AWEZNQCLSA-N -1 3 368.455 0.913 10 0 FCAEHM CCCC[C@H](C)C(=O)N1C[C@@H](NC(=O)c2c(C)nc[n-]c2=O)[C@@H](O)C1 ZINC001343650153 870536811 /nfs/dbraw/zinc/53/68/11/870536811.db2.gz KMJKBCSOCKBMET-UHTWSYAYSA-N -1 3 350.419 0.618 10 0 FCAEHM CN1CCC2(CC1)CN(S(=O)(=O)c1csc(C(=O)[O-])c1)CCO2 ZINC001327072056 870650269 /nfs/dbraw/zinc/65/02/69/870650269.db2.gz OPYUIHFSQPQEEB-UHFFFAOYSA-N -1 3 360.457 0.932 10 0 FCAEHM Cn1ncc(C[N-]S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)n1 ZINC001344081849 870736672 /nfs/dbraw/zinc/73/66/72/870736672.db2.gz MCQKRNIPDLSGQU-UHFFFAOYSA-N -1 3 357.779 0.278 10 0 FCAEHM CO[C@@H](C(=O)N[C@@H]1CC[C@H](CNC(=O)c2cnc[n-]c2=O)C1)C(C)C ZINC001344287736 870806267 /nfs/dbraw/zinc/80/62/67/870806267.db2.gz PURVJHVLXASHID-OUCADQQQSA-N -1 3 350.419 0.868 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)NCC(=O)N(C)OCC(F)(F)F ZINC001328662119 871567535 /nfs/dbraw/zinc/56/75/35/871567535.db2.gz MZWHYRVLLCTTMR-UHFFFAOYSA-N -1 3 350.297 0.492 10 0 FCAEHM COC[C@H](OC)C(=O)NC[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC001346262564 871735514 /nfs/dbraw/zinc/73/55/14/871735514.db2.gz JQNZESCNEFITBO-IOASZLSFSA-N -1 3 350.415 0.878 10 0 FCAEHM CN1CCC[C@@H](NC(=O)C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC001347105417 872162890 /nfs/dbraw/zinc/16/28/90/872162890.db2.gz PCJRXAJOAIODKZ-LLVKDONJSA-N -1 3 370.247 0.981 10 0 FCAEHM CS(=O)(=O)[N-]c1cccc(F)c1CNc1cncc(OCCO)n1 ZINC001347191417 872213902 /nfs/dbraw/zinc/21/39/02/872213902.db2.gz IRVBOXREQCBUQX-UHFFFAOYSA-N -1 3 356.379 0.970 10 0 FCAEHM CN1CCOC[C@@H]1CNC(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001329734368 872216207 /nfs/dbraw/zinc/21/62/07/872216207.db2.gz DGGZGSUSHPVCST-NSHDSACASA-N -1 3 374.438 0.327 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)C[C@@H]3CCS(=O)(=O)C3)cc2n(C)c1=O ZINC001347538586 872380225 /nfs/dbraw/zinc/38/02/25/872380225.db2.gz HCHGJIGHLGRINA-VIFPVBQESA-N -1 3 353.400 0.346 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCCC[C@]12CCOC2 ZINC001348201496 872628089 /nfs/dbraw/zinc/62/80/89/872628089.db2.gz TWWHARKHQYIXNR-CQSZACIVSA-N -1 3 372.219 0.883 10 0 FCAEHM CCN1CCN(C2CN(C(=O)CSc3n[n-]c(=S)s3)C2)CC1 ZINC001348455293 872704739 /nfs/dbraw/zinc/70/47/39/872704739.db2.gz RZOLNHBQDGHUAJ-UHFFFAOYSA-N -1 3 359.546 0.767 10 0 FCAEHM CS(=O)(=O)CC1(CCNC(=O)CNC(=O)c2ccc([O-])cc2)CC1 ZINC001331153997 872984560 /nfs/dbraw/zinc/98/45/60/872984560.db2.gz VOHLQGIWCKYHKQ-UHFFFAOYSA-N -1 3 354.428 0.453 10 0 FCAEHM CO[C@]12CCC[C@@]1([N-]S(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1)CCO2 ZINC001332336867 873462164 /nfs/dbraw/zinc/46/21/64/873462164.db2.gz NEPUNTBTYWOESV-MCIONIFRSA-N -1 3 367.489 0.416 10 0 FCAEHM CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1cccc(C(N)=O)c1)C(F)(F)F ZINC001333143626 873821381 /nfs/dbraw/zinc/82/13/81/873821381.db2.gz FDQDZNMEYLRMDA-SNVBAGLBSA-N -1 3 368.333 0.948 10 0 FCAEHM CCOC(=O)C[C@H]([N-]S(=O)(=O)c1cccc(C(N)=O)c1)C(F)(F)F ZINC001333143625 873821872 /nfs/dbraw/zinc/82/18/72/873821872.db2.gz FDQDZNMEYLRMDA-JTQLQIEISA-N -1 3 368.333 0.948 10 0 FCAEHM COC(=O)[C@H](CF)NC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC000292155787 214081820 /nfs/dbraw/zinc/08/18/20/214081820.db2.gz CGDLOCXHNQHIBP-JTQLQIEISA-N -1 3 353.281 0.115 10 0 FCAEHM COC(=O)[C@H](CF)NC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000292155787 214081823 /nfs/dbraw/zinc/08/18/23/214081823.db2.gz CGDLOCXHNQHIBP-JTQLQIEISA-N -1 3 353.281 0.115 10 0 FCAEHM Cc1nnsc1CNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000292235743 214086668 /nfs/dbraw/zinc/08/66/68/214086668.db2.gz CQKQFAKLALLULI-VIFPVBQESA-N -1 3 358.420 0.969 10 0 FCAEHM CCc1noc(C)c1C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC ZINC000292711540 214118972 /nfs/dbraw/zinc/11/89/72/214118972.db2.gz FAMQYBWEBNAITF-UHFFFAOYSA-N -1 3 373.456 0.932 10 0 FCAEHM COC[C@@H]1CN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)CCO1 ZINC000265968992 210257287 /nfs/dbraw/zinc/25/72/87/210257287.db2.gz KCTFWKIZYBLOJT-RYUDHWBXSA-N -1 3 360.407 0.366 10 0 FCAEHM CCOc1ccncc1S(=O)(=O)[N-]C[C@@H]1COC2(CCOCC2)O1 ZINC000295162215 214280614 /nfs/dbraw/zinc/28/06/14/214280614.db2.gz NJAUAWDCUBZWMJ-GFCCVEGCSA-N -1 3 358.416 0.681 10 0 FCAEHM CC(C)(C)OC(=O)N1CCN(C(=O)CN2CC(=O)[N-]C2=O)C[C@](C)(F)C1 ZINC000295386485 214294352 /nfs/dbraw/zinc/29/43/52/214294352.db2.gz LBIJSWZCGXQAFL-INIZCTEOSA-N -1 3 372.397 0.346 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)CS(=O)(=O)C(C)(C)C)cc2n(C)c1=O ZINC000291468156 214037476 /nfs/dbraw/zinc/03/74/76/214037476.db2.gz DXMIALHRSDJGGR-UHFFFAOYSA-N -1 3 355.416 0.734 10 0 FCAEHM C[C@@H]1CN(C(=O)CN2CC(=O)[N-]C2=O)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000265859825 210236518 /nfs/dbraw/zinc/23/65/18/210236518.db2.gz HHLSYZXVVNTQKE-MNOVXSKESA-N -1 3 354.407 0.300 10 0 FCAEHM COCC[C@@H]1COCCN1C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000291159365 214016689 /nfs/dbraw/zinc/01/66/89/214016689.db2.gz IHDJFMUGFLGNCN-QWHCGFSZSA-N -1 3 374.434 0.756 10 0 FCAEHM CC(C)[C@@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000248179073 210212556 /nfs/dbraw/zinc/21/25/56/210212556.db2.gz XNLUVJPMPAZHCY-OWCLPIDISA-N -1 3 363.458 0.923 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)Nc1cn(C)nc1C1CC1 ZINC000291040979 214010829 /nfs/dbraw/zinc/01/08/29/214010829.db2.gz IDLFNVKLRKVKHF-UHFFFAOYSA-N -1 3 353.404 0.819 10 0 FCAEHM CC(C)N1C[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)CC1=O ZINC000265610305 210178443 /nfs/dbraw/zinc/17/84/43/210178443.db2.gz FEUACQLINCMZEV-RYUDHWBXSA-N -1 3 371.434 0.618 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCC3=O)cc2)cn1 ZINC000410251164 530029016 /nfs/dbraw/zinc/02/90/16/530029016.db2.gz QRUZAHGIENYAJM-UHFFFAOYSA-N -1 3 360.395 0.979 10 0 FCAEHM CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1nc(CC(=O)OC)n[n-]1 ZINC000265422090 210131067 /nfs/dbraw/zinc/13/10/67/210131067.db2.gz FZPXGEXPSXMPHL-IUCAKERBSA-N -1 3 355.420 0.406 10 0 FCAEHM CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1nnc(CC(=O)OC)[n-]1 ZINC000265422090 210131072 /nfs/dbraw/zinc/13/10/72/210131072.db2.gz FZPXGEXPSXMPHL-IUCAKERBSA-N -1 3 355.420 0.406 10 0 FCAEHM CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1n[n-]c(CC(=O)OC)n1 ZINC000265422090 210131075 /nfs/dbraw/zinc/13/10/75/210131075.db2.gz FZPXGEXPSXMPHL-IUCAKERBSA-N -1 3 355.420 0.406 10 0 FCAEHM Cc1cc(CS(=O)(=O)[N-]CCS(=O)(=O)NCc2ccccc2)no1 ZINC000265303909 210091047 /nfs/dbraw/zinc/09/10/47/210091047.db2.gz GWHUTFPVAZNYGD-UHFFFAOYSA-N -1 3 373.456 0.522 10 0 FCAEHM COC(=O)CSCc1cccc(NC(=O)CN2CC(=O)[N-]C2=O)c1 ZINC000264965879 210025355 /nfs/dbraw/zinc/02/53/55/210025355.db2.gz XKOJEGAVUFDLQO-UHFFFAOYSA-N -1 3 351.384 0.583 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000264876843 210005142 /nfs/dbraw/zinc/00/51/42/210005142.db2.gz SCJVJUJYFHOEOI-SNVBAGLBSA-N -1 3 368.187 0.941 10 0 FCAEHM COc1cc2cc(C(=O)N3CCC[C@]4(C3)NC(=O)[N-]C4=O)[nH]c2cc1OC ZINC000333324105 215264310 /nfs/dbraw/zinc/26/43/10/215264310.db2.gz PZBPKMIUGOCNEO-GOSISDBHSA-N -1 3 372.381 0.999 10 0 FCAEHM CC(C)[C@H]1C(=O)NCCN1C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000264562406 209912539 /nfs/dbraw/zinc/91/25/39/209912539.db2.gz OWIASQAGCBQTLR-FZMZJTMJSA-N -1 3 371.434 0.476 10 0 FCAEHM Cn1cc([C@@H](CO)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cn1 ZINC000360438547 215361224 /nfs/dbraw/zinc/36/12/24/215361224.db2.gz YDNYWKPTYXWCQN-CABCVRRESA-N -1 3 358.398 0.580 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CO)C[C@@H](O)C(C)(C)C)c(C)o1 ZINC000284756748 213213505 /nfs/dbraw/zinc/21/35/05/213213505.db2.gz UUVCEHVIWLFBAD-ZWNOBZJWSA-N -1 3 363.432 0.811 10 0 FCAEHM CN1CCO[C@H]2CCN(C(=O)CCn3[n-]c(=O)c4ccccc4c3=O)C[C@H]21 ZINC000284620813 213182910 /nfs/dbraw/zinc/18/29/10/213182910.db2.gz UPVAEOMEKKACMU-CVEARBPZSA-N -1 3 372.425 0.011 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)c(C)o1 ZINC000284122557 213079773 /nfs/dbraw/zinc/07/97/73/213079773.db2.gz OULFAJANOQSCTP-CHWSQXEVSA-N -1 3 357.432 0.041 10 0 FCAEHM CCS(=O)(=O)C1CN(C(=O)c2c[n-]c3cc(OC)ccc3c2=O)C1 ZINC000412385665 237197657 /nfs/dbraw/zinc/19/76/57/237197657.db2.gz XNZQKQIQVCPZFW-UHFFFAOYSA-N -1 3 350.396 0.796 10 0 FCAEHM CC(C)OCCS(=O)(=O)[N-]CC(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000281625557 212744710 /nfs/dbraw/zinc/74/47/10/212744710.db2.gz GCZYECGASMQOKH-UHFFFAOYSA-N -1 3 369.443 0.706 10 0 FCAEHM CC[C@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000367046269 216069074 /nfs/dbraw/zinc/06/90/74/216069074.db2.gz VGLRHYWKKJRTHE-HRCADAONSA-N -1 3 374.441 0.380 10 0 FCAEHM O=C(CN1CCN(C(=O)c2cccc([O-])c2)CC1)N1CCOC[C@H]1C1CC1 ZINC000367241361 216097042 /nfs/dbraw/zinc/09/70/42/216097042.db2.gz RDAYGPUGBSOJBE-SFHVURJKSA-N -1 3 373.453 0.787 10 0 FCAEHM CN1CC[C@H](NC(=O)CC[C@H]2NC(=O)[N-]C2=O)[C@H]1c1ccc(F)c(F)c1 ZINC000245712156 209374009 /nfs/dbraw/zinc/37/40/09/209374009.db2.gz TYJJTTWUMWAMDP-GZBFAFLISA-N -1 3 366.368 0.814 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-][C@H]2CCCN(c3cccnc3)C2=O)C[C@@H](C)O1 ZINC000368252038 216224334 /nfs/dbraw/zinc/22/43/34/216224334.db2.gz HQRHRIRGGICBGF-NFAWXSAZSA-N -1 3 368.459 0.521 10 0 FCAEHM Cc1cnn(-c2ccc(C(=O)N3CCC[C@]4(C3)NC(=O)[N-]C4=O)cc2)c1 ZINC000194996047 209331571 /nfs/dbraw/zinc/33/15/71/209331571.db2.gz WJBGWPDQMCKSBW-GOSISDBHSA-N -1 3 353.382 0.995 10 0 FCAEHM Cc1cc(C)c2[n-]cc(C(=O)N3CC(n4cc(C(N)=O)nn4)C3)c(=O)c2c1 ZINC000368381642 216240577 /nfs/dbraw/zinc/24/05/77/216240577.db2.gz YLVGJAZSESLEAE-UHFFFAOYSA-N -1 3 366.381 0.532 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)C2(N3CCOCC3)CCC2)s1 ZINC000368582002 216267726 /nfs/dbraw/zinc/26/77/26/216267726.db2.gz ISQGNZZOCIYKSF-UHFFFAOYSA-N -1 3 373.500 0.527 10 0 FCAEHM O=C(CN1CCC[C@@]2(C1)NC(=O)[N-]C2=O)NCCc1ccc(Cl)cc1 ZINC000192675655 209302186 /nfs/dbraw/zinc/30/21/86/209302186.db2.gz WNQMZBYNZPRUNL-KRWDZBQOSA-N -1 3 364.833 0.673 10 0 FCAEHM COCC[C@H]1CCCCN(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)C1 ZINC000368761521 216293696 /nfs/dbraw/zinc/29/36/96/216293696.db2.gz LDAHTHKSJOGSKG-CYBMUJFWSA-N -1 3 358.464 0.364 10 0 FCAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CN(C)S(C)(=O)=O)cc2)n1 ZINC000368864909 216310660 /nfs/dbraw/zinc/31/06/60/216310660.db2.gz DXJITJYEPWBPFK-UHFFFAOYSA-N -1 3 350.400 0.575 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)c2cc(N3CCNC(=O)C3)ccn2)n[n-]1 ZINC000190572971 209275169 /nfs/dbraw/zinc/27/51/69/209275169.db2.gz IAUAFIKDJLVIOJ-UHFFFAOYSA-N -1 3 366.385 0.394 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)c2cc(N3CCNC(=O)C3)ccn2)[n-]n1 ZINC000190572971 209275173 /nfs/dbraw/zinc/27/51/73/209275173.db2.gz IAUAFIKDJLVIOJ-UHFFFAOYSA-N -1 3 366.385 0.394 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N1CC(NC(=O)C2CCC2)C1 ZINC000189224036 209247232 /nfs/dbraw/zinc/24/72/32/209247232.db2.gz VSTYYRSDKFNMTJ-UHFFFAOYSA-N -1 3 370.409 0.207 10 0 FCAEHM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cccc(CN2CCCC2)c1 ZINC000277644247 212383443 /nfs/dbraw/zinc/38/34/43/212383443.db2.gz NUPSUPBBNJYWEN-UHFFFAOYSA-N -1 3 353.444 0.478 10 0 FCAEHM CC[C@]1(c2ccccc2)NC(=O)N([N-]S(=O)(=O)[C@@H]2CCO[C@H]2C)C1=O ZINC000277679464 212388051 /nfs/dbraw/zinc/38/80/51/212388051.db2.gz JBOQRZPODJDXEX-NORZTCDRSA-N -1 3 367.427 0.856 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000277616319 212379488 /nfs/dbraw/zinc/37/94/88/212379488.db2.gz RDDSGQGBWHQTAB-SUNYJGFJSA-N -1 3 363.389 0.614 10 0 FCAEHM C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)CN1CC(=O)[N-]C1=O ZINC000277552417 212372650 /nfs/dbraw/zinc/37/26/50/212372650.db2.gz MRMFXROBFSPAMR-WDEREUQCSA-N -1 3 354.407 0.300 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCn2cnnc2[C@@H]1C ZINC000276913242 212306360 /nfs/dbraw/zinc/30/63/60/212306360.db2.gz OSNAOCPHQLHRRG-QWRGUYRKSA-N -1 3 367.406 0.687 10 0 FCAEHM COC(=O)NCCc1ccc(S(=O)(=O)[N-]CC(=O)NC(C)C)s1 ZINC000276539867 212250590 /nfs/dbraw/zinc/25/05/90/212250590.db2.gz WCKNNBICSAOUSF-UHFFFAOYSA-N -1 3 363.461 0.450 10 0 FCAEHM COC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H](C)C[S@](C)=O)s1 ZINC000276239837 212193950 /nfs/dbraw/zinc/19/39/50/212193950.db2.gz PHMKXVLCQCFMSH-BTKVJGODSA-N -1 3 368.502 0.692 10 0 FCAEHM COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000276140895 212170880 /nfs/dbraw/zinc/17/08/80/212170880.db2.gz DXLJPRBUHUBSRI-WDMOLILDSA-N -1 3 372.468 0.827 10 0 FCAEHM C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000276122790 212166442 /nfs/dbraw/zinc/16/64/42/212166442.db2.gz ZCUVFKFJVFLIJL-WFASDCNBSA-N -1 3 354.428 0.657 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNS(=O)(=O)[C@@H]2CCO[C@@H]2C)s1 ZINC000276056820 212149202 /nfs/dbraw/zinc/14/92/02/212149202.db2.gz PLKYBLFMSGONSU-PSASIEDQSA-N -1 3 354.475 0.253 10 0 FCAEHM CO[C@@H]1CN(S(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)CC[C@@H]1C ZINC000275867929 212107333 /nfs/dbraw/zinc/10/73/33/212107333.db2.gz JPSSKALLBOQEBX-JOYOIKCWSA-N -1 3 368.415 0.080 10 0 FCAEHM CO[C@H]1CN(S(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)CC[C@H]1C ZINC000275867936 212107187 /nfs/dbraw/zinc/10/71/87/212107187.db2.gz JPSSKALLBOQEBX-SKDRFNHKSA-N -1 3 368.415 0.080 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000372243617 216856916 /nfs/dbraw/zinc/85/69/16/216856916.db2.gz XVIQLYJTEPUANB-ZDUSSCGKSA-N -1 3 355.398 0.827 10 0 FCAEHM CCCn1c(=O)[n-]c(=O)c2c(C(=O)N3CC(CO)C3)cc(C(C)C)nc21 ZINC000184229426 209159507 /nfs/dbraw/zinc/15/95/07/209159507.db2.gz KTAVIBUPWMWGTO-UHFFFAOYSA-N -1 3 360.414 0.683 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCC[C@@]12CCOC2=O ZINC000275306822 212004421 /nfs/dbraw/zinc/00/44/21/212004421.db2.gz XNEGTDXRYHTBOX-ZBEGNZNMSA-N -1 3 370.402 0.801 10 0 FCAEHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC000373631079 217038985 /nfs/dbraw/zinc/03/89/85/217038985.db2.gz YPVRPBBYKIRADB-NWDGAFQWSA-N -1 3 352.354 0.942 10 0 FCAEHM O=C(NCCCNC(=O)C1(N2CCOCC2)CCC1)c1cccc([O-])c1 ZINC000374715429 217159812 /nfs/dbraw/zinc/15/98/12/217159812.db2.gz NKMAJPSDDRYJOC-UHFFFAOYSA-N -1 3 361.442 0.883 10 0 FCAEHM COc1cccc([C@@H]2[C@H](NC(=O)CN3CC(=O)[N-]C3=O)CCN2C2CC2)c1 ZINC000374889609 217185359 /nfs/dbraw/zinc/18/53/59/217185359.db2.gz CLFYDNXBULFXKC-CRAIPNDOSA-N -1 3 372.425 0.641 10 0 FCAEHM COc1ccc(C2=NO[C@@H](CNC(=O)CN3CC(=O)[N-]C3=O)C2)cc1C ZINC000374873254 217183869 /nfs/dbraw/zinc/18/38/69/217183869.db2.gz CRFGKEDQBYNZGM-GFCCVEGCSA-N -1 3 360.370 0.165 10 0 FCAEHM O=C(CC[C@H]1NC(=O)[N-]C1=O)N1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000375200964 217230355 /nfs/dbraw/zinc/23/03/55/217230355.db2.gz OPPDLXHHVOLRSJ-CQSZACIVSA-N -1 3 366.368 0.992 10 0 FCAEHM C[C@@H]1C[C@H]1N1C[C@H]([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)CC1=O ZINC000416417983 245574023 /nfs/dbraw/zinc/57/40/23/245574023.db2.gz ZIYTXWLAOMGPTL-SOCHQFKDSA-N -1 3 369.374 0.548 10 0 FCAEHM O=C(NC[C@H](CO)[C@H]1CCOC1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000375930367 217335827 /nfs/dbraw/zinc/33/58/27/217335827.db2.gz YSKQECUUGUFAOR-SQWLQELKSA-N -1 3 362.426 0.758 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCCC[C@H]1COC(=O)N1CCCC1 ZINC000376381099 217391711 /nfs/dbraw/zinc/39/17/11/217391711.db2.gz CYDJBWIVVSETKX-RYUDHWBXSA-N -1 3 352.391 0.198 10 0 FCAEHM CC(C)C[C@@H](CNC(=O)C(=O)NCCCN1CCCO[C@@H](C)C1)C(=O)[O-] ZINC000424503381 247243280 /nfs/dbraw/zinc/24/32/80/247243280.db2.gz PBNRPVYWGPHMBC-GJZGRUSLSA-N -1 3 371.478 0.467 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)C(=O)N1CCOCC1 ZINC000408144929 217745374 /nfs/dbraw/zinc/74/53/74/217745374.db2.gz DSZJBUPTNKYGAQ-DCGLDWPTSA-N -1 3 372.487 0.549 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N[C@@H]2C[C@]2(F)c2ccccc2)c1 ZINC000424991209 247283128 /nfs/dbraw/zinc/28/31/28/247283128.db2.gz GCIJWGWRPHZUDK-DOMZBBRYSA-N -1 3 352.391 0.452 10 0 FCAEHM CN(C)c1nc(C(=O)N2CSC[C@@H]2C(=O)N2CCCC2)cc(=O)[n-]1 ZINC000408242682 217756262 /nfs/dbraw/zinc/75/62/62/217756262.db2.gz XDBVNRXXIIKIMA-LLVKDONJSA-N -1 3 351.432 0.386 10 0 FCAEHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2NS(C)(=O)=O)s1 ZINC000408371676 217768041 /nfs/dbraw/zinc/76/80/41/217768041.db2.gz CRSWMYFIOZRJMM-WDEREUQCSA-N -1 3 367.518 0.899 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)N2CC[C@H](c3nnc[nH]3)C2)ccc1F ZINC000425677415 247360411 /nfs/dbraw/zinc/36/04/11/247360411.db2.gz VULOTTCTWIQLPK-VIFPVBQESA-N -1 3 368.394 0.873 10 0 FCAEHM CCOC(=O)CN(CC(N)=O)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436530165 248044005 /nfs/dbraw/zinc/04/40/05/248044005.db2.gz DFFKBTULYYSSMO-UHFFFAOYSA-N -1 3 350.371 0.596 10 0 FCAEHM CNC(=O)[C@]1(C)CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000437002686 248056924 /nfs/dbraw/zinc/05/69/24/248056924.db2.gz RUYHCOPWRQPUKL-IFXJQAMLSA-N -1 3 359.426 0.981 10 0 FCAEHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2nnnn2C)c1 ZINC000436975410 248057408 /nfs/dbraw/zinc/05/74/08/248057408.db2.gz KJVYNBIDRGOQOS-UHFFFAOYSA-N -1 3 371.357 0.737 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccnnc1 ZINC000442963701 248301762 /nfs/dbraw/zinc/30/17/62/248301762.db2.gz JCKMHVLNCKTXRB-UHFFFAOYSA-N -1 3 358.782 0.977 10 0 FCAEHM COCCN1CCC[C@@H]1C[N-]S(=O)(=O)c1csnc1C(=O)OC ZINC000443068063 248305927 /nfs/dbraw/zinc/30/59/27/248305927.db2.gz MVROLTHDDQASEC-SNVBAGLBSA-N -1 3 363.461 0.319 10 0 FCAEHM COC(=O)c1nscc1S(=O)(=O)[N-]Cc1cccnc1N(C)C ZINC000443098158 248307769 /nfs/dbraw/zinc/30/77/69/248307769.db2.gz YYNJKUNKPZQNTQ-UHFFFAOYSA-N -1 3 356.429 0.869 10 0 FCAEHM CCOC(=O)c1c(C(C)C)csc1[N-]C(=O)C(=O)N(C)C[C@H](O)CO ZINC000441721845 248260728 /nfs/dbraw/zinc/26/07/28/248260728.db2.gz XAWGXIGGLUIJEW-JTQLQIEISA-N -1 3 372.443 0.798 10 0 FCAEHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCSC[C@@H]1CCO ZINC000442115775 248276051 /nfs/dbraw/zinc/27/60/51/248276051.db2.gz UMHPYIMVRWMHDW-VIFPVBQESA-N -1 3 358.441 0.800 10 0 FCAEHM NC(=O)CC1(NC(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)CCC1 ZINC000443791122 248340420 /nfs/dbraw/zinc/34/04/20/248340420.db2.gz QLCFSWBYYVXNCI-UHFFFAOYSA-N -1 3 356.382 0.172 10 0 FCAEHM CN1C[C@@H](NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)C(=O)N1 ZINC000444356048 248355993 /nfs/dbraw/zinc/35/59/93/248355993.db2.gz IRCQZYPOVSDMIK-LLVKDONJSA-N -1 3 365.187 0.366 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)N2CC[C@@H]2C2CC2)ccc1F ZINC000453833605 249375811 /nfs/dbraw/zinc/37/58/11/249375811.db2.gz KPSCDTMAHBPRGV-GFCCVEGCSA-N -1 3 355.391 0.683 10 0 FCAEHM Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000271389614 211393369 /nfs/dbraw/zinc/39/33/69/211393369.db2.gz UQBULTPTSAXGCI-RYUDHWBXSA-N -1 3 362.411 0.433 10 0 FCAEHM CC(C)(C)OC(=O)NC[C@@](C)(NC(=O)C[C@@H]1NC(=O)[N-]C1=O)C1CC1 ZINC000271389075 211392973 /nfs/dbraw/zinc/39/29/73/211392973.db2.gz FTBDCZWBPHYWLN-MGPLVRAMSA-N -1 3 354.407 0.394 10 0 FCAEHM COc1nnc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)[n-]1 ZINC000271268849 211368054 /nfs/dbraw/zinc/36/80/54/211368054.db2.gz LJOPRXWZBJKQSG-UHFFFAOYSA-N -1 3 371.444 0.841 10 0 FCAEHM COc1nc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)n[n-]1 ZINC000271268849 211368057 /nfs/dbraw/zinc/36/80/57/211368057.db2.gz LJOPRXWZBJKQSG-UHFFFAOYSA-N -1 3 371.444 0.841 10 0 FCAEHM COc1n[n-]c(NC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)n1 ZINC000271268849 211368060 /nfs/dbraw/zinc/36/80/60/211368060.db2.gz LJOPRXWZBJKQSG-UHFFFAOYSA-N -1 3 371.444 0.841 10 0 FCAEHM COc1nnc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)[n-]1 ZINC000271247436 211363307 /nfs/dbraw/zinc/36/33/07/211363307.db2.gz GOXBOMLOFNUPOL-QMMMGPOBSA-N -1 3 357.417 0.667 10 0 FCAEHM COc1nc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)n[n-]1 ZINC000271247436 211363315 /nfs/dbraw/zinc/36/33/15/211363315.db2.gz GOXBOMLOFNUPOL-QMMMGPOBSA-N -1 3 357.417 0.667 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)n1 ZINC000271247436 211363320 /nfs/dbraw/zinc/36/33/20/211363320.db2.gz GOXBOMLOFNUPOL-QMMMGPOBSA-N -1 3 357.417 0.667 10 0 FCAEHM CN1C(=O)C[C@H](NC(=O)CN2CC(=O)[N-]C2=O)[C@H]1c1ccc(Cl)cc1 ZINC000271091441 211333422 /nfs/dbraw/zinc/33/34/22/211333422.db2.gz HWDISNNLFRHECO-XHDPSFHLSA-N -1 3 364.789 0.280 10 0 FCAEHM CN1C(=O)C[C@@H](NC(=O)C[C@@H]2NC(=O)[N-]C2=O)[C@@H]1c1ccc(Cl)cc1 ZINC000271087943 211331956 /nfs/dbraw/zinc/33/19/56/211331956.db2.gz DVEXHOJSCHMIFU-SUNKGSAMSA-N -1 3 364.789 0.326 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000271077239 211329265 /nfs/dbraw/zinc/32/92/65/211329265.db2.gz YUGCPRXCXZVXJE-ZDUSSCGKSA-N -1 3 362.361 0.098 10 0 FCAEHM Cc1cccc(C(=O)N2CCCN(C(=O)C[C@@H]3NC(=O)[N-]C3=O)CC2)c1 ZINC000271017099 211317900 /nfs/dbraw/zinc/31/79/00/211317900.db2.gz NBJZBTYAIQCWCN-AWEZNQCLSA-N -1 3 358.398 0.268 10 0 FCAEHM CCCN(C)S(=O)(=O)[N-]c1ccc(N2CCOCC2)cc1C(N)=O ZINC000270883344 211291948 /nfs/dbraw/zinc/29/19/48/211291948.db2.gz PRTVXGMELSRTQN-UHFFFAOYSA-N -1 3 356.448 0.621 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000270635877 211239760 /nfs/dbraw/zinc/23/97/60/211239760.db2.gz XDGMZYSCZMMXNS-JTQLQIEISA-N -1 3 363.761 0.647 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000270665055 211244724 /nfs/dbraw/zinc/24/47/24/211244724.db2.gz DLEMLBUXINVFEU-ZDUSSCGKSA-N -1 3 369.381 0.050 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000270597224 211232065 /nfs/dbraw/zinc/23/20/65/211232065.db2.gz NNPIRMCMGRBDGX-QWRGUYRKSA-N -1 3 350.762 0.160 10 0 FCAEHM COCCN1CCCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)CC1=O ZINC000470227408 250033058 /nfs/dbraw/zinc/03/30/58/250033058.db2.gz WKZBDBZDOYVJKF-UHFFFAOYSA-N -1 3 369.443 0.379 10 0 FCAEHM CC(C)CCn1ccc(=NC(=O)C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)[nH]1 ZINC000472978921 250191160 /nfs/dbraw/zinc/19/11/60/250191160.db2.gz OZCMZOPZXMAFBG-CYBMUJFWSA-N -1 3 360.418 0.925 10 0 FCAEHM CN1C(=O)COc2ccc(NC(=O)C(=O)NCc3ncccc3[O-])cc21 ZINC000473066034 250196812 /nfs/dbraw/zinc/19/68/12/250196812.db2.gz RJMSDAPBMWRYAU-UHFFFAOYSA-N -1 3 356.338 0.397 10 0 FCAEHM CN(C)C(=O)c1cc(NC(=O)C(=O)NCc2ncccc2[O-])ccc1F ZINC000473064646 250197833 /nfs/dbraw/zinc/19/78/33/250197833.db2.gz BQLQEASUXJZITA-UHFFFAOYSA-N -1 3 360.345 0.883 10 0 FCAEHM CN(C)C(=O)Cc1ccc(NC(=O)C(=O)NCc2ncccc2[O-])cc1 ZINC000473067255 250198272 /nfs/dbraw/zinc/19/82/72/250198272.db2.gz XVNZPTSREQQXIG-UHFFFAOYSA-N -1 3 356.382 0.673 10 0 FCAEHM Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)NCc1ncccc1[O-] ZINC000473068760 250198470 /nfs/dbraw/zinc/19/84/70/250198470.db2.gz XELBTVGCHQYPNA-UHFFFAOYSA-N -1 3 371.397 0.582 10 0 FCAEHM COCCNS(=O)(=O)c1ccc(C(=O)NCc2ncccc2[O-])cc1 ZINC000473637889 250244473 /nfs/dbraw/zinc/24/44/73/250244473.db2.gz XDPVKGLMDHVNRX-UHFFFAOYSA-N -1 3 365.411 0.642 10 0 FCAEHM CN(C)C(=O)CCN1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000473430406 250228065 /nfs/dbraw/zinc/22/80/65/250228065.db2.gz XBRXKMKCBRRRFU-UHFFFAOYSA-N -1 3 356.426 0.764 10 0 FCAEHM CCOCCOC[C@H](O)C[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000480667873 250276659 /nfs/dbraw/zinc/27/66/59/250276659.db2.gz HSXOMQSPNSVAEQ-SNVBAGLBSA-N -1 3 372.365 0.793 10 0 FCAEHM COc1ccc(CNC(C)=O)cc1S(=O)(=O)NCc1ncccc1[O-] ZINC000480747474 250280894 /nfs/dbraw/zinc/28/08/94/250280894.db2.gz ULCHUQNDQJFTIK-UHFFFAOYSA-N -1 3 365.411 0.910 10 0 FCAEHM CN1CC(=O)N(CCCC(=O)Nc2ccc(Cc3nnn[n-]3)cc2)C1=O ZINC000473935804 250257583 /nfs/dbraw/zinc/25/75/83/250257583.db2.gz CUBFLSRXYJAXBH-UHFFFAOYSA-N -1 3 357.374 0.403 10 0 FCAEHM CN1CC(=O)N(CCCC(=O)Nc2ccc(Cc3nn[n-]n3)cc2)C1=O ZINC000473935804 250257587 /nfs/dbraw/zinc/25/75/87/250257587.db2.gz CUBFLSRXYJAXBH-UHFFFAOYSA-N -1 3 357.374 0.403 10 0 FCAEHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]Cc2noc(C3CC3)n2)cn1 ZINC000480895419 250291910 /nfs/dbraw/zinc/29/19/10/250291910.db2.gz HNRPAQYPBQSQPR-UHFFFAOYSA-N -1 3 358.401 0.224 10 0 FCAEHM C[C@@H](CC[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)[S@@](C)=O ZINC000481076360 250312425 /nfs/dbraw/zinc/31/24/25/250312425.db2.gz SPMMVVUUVGWEFX-GWNMQOMSSA-N -1 3 371.477 0.665 10 0 FCAEHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]CC[C@H](C)[S@@](C)=O)s1 ZINC000481080735 250312573 /nfs/dbraw/zinc/31/25/73/250312573.db2.gz YVSQQXUWNNLLQD-CHNSCGDPSA-N -1 3 366.530 0.862 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCn3nc(C)nc32)c(C)o1 ZINC000081812613 208101880 /nfs/dbraw/zinc/10/18/80/208101880.db2.gz OXEXKCJEPFVNQB-LLVKDONJSA-N -1 3 353.404 0.661 10 0 FCAEHM COc1ccc(C(=O)[N-]C(=O)CN2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000106175247 208218192 /nfs/dbraw/zinc/21/81/92/208218192.db2.gz TZMFWPPTTAOJFN-CQSZACIVSA-N -1 3 357.414 0.955 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)CCCS(=O)(=O)N2CCCC2)n[n-]1 ZINC000119815669 208368096 /nfs/dbraw/zinc/36/80/96/208368096.db2.gz RYTNDHBBUQOKMF-UHFFFAOYSA-N -1 3 366.447 0.955 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)CCCS(=O)(=O)N2CCCC2)[n-]n1 ZINC000119815669 208368100 /nfs/dbraw/zinc/36/81/00/208368100.db2.gz RYTNDHBBUQOKMF-UHFFFAOYSA-N -1 3 366.447 0.955 10 0 FCAEHM CC[C@@H]1Oc2cc([C@@H](C)NC(=O)CN3CC(=O)[N-]C3=O)ccc2NC1=O ZINC000266616507 210368925 /nfs/dbraw/zinc/36/89/25/210368925.db2.gz COMUGLJHOBYEAP-SKDRFNHKSA-N -1 3 360.370 0.525 10 0 FCAEHM Cc1cc(N2CCC[C@@H]([N-]S(=O)(=O)N3CCCC[C@H]3C)C2=O)n(C)n1 ZINC000266376067 210330344 /nfs/dbraw/zinc/33/03/44/210330344.db2.gz WTFNFNAEDYDONN-ZIAGYGMSSA-N -1 3 369.491 0.933 10 0 FCAEHM O=c1[n-]c(CN2CC[C@H](S(=O)(=O)N3CCCC3)C2)nc2ccsc21 ZINC000135665540 208698409 /nfs/dbraw/zinc/69/84/09/208698409.db2.gz AKVVVQDJYSCCCE-NSHDSACASA-N -1 3 368.484 0.985 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)NCc2ccccc2-n2cccn2)c1 ZINC000176464255 209004405 /nfs/dbraw/zinc/00/44/05/209004405.db2.gz LBIJBPPZQVICFZ-UHFFFAOYSA-N -1 3 374.426 0.201 10 0 FCAEHM COc1nnc(NC(=O)CNC(=O)c2cccc(Br)c2)[n-]1 ZINC000158176719 533185444 /nfs/dbraw/zinc/18/54/44/533185444.db2.gz JTNBITMWNLBDCB-UHFFFAOYSA-N -1 3 354.164 0.944 10 0 FCAEHM COc1nc(NC(=O)CNC(=O)c2cccc(Br)c2)n[n-]1 ZINC000158176719 533185447 /nfs/dbraw/zinc/18/54/47/533185447.db2.gz JTNBITMWNLBDCB-UHFFFAOYSA-N -1 3 354.164 0.944 10 0 FCAEHM COc1n[n-]c(NC(=O)CNC(=O)c2cccc(Br)c2)n1 ZINC000158176719 533185448 /nfs/dbraw/zinc/18/54/48/533185448.db2.gz JTNBITMWNLBDCB-UHFFFAOYSA-N -1 3 354.164 0.944 10 0 FCAEHM COC(=O)[C@H]1C[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000412757243 533532735 /nfs/dbraw/zinc/53/27/35/533532735.db2.gz MAFVVYNMFKOHNH-GARJFASQSA-N -1 3 358.391 0.560 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)NCC[C@H](O)C(F)(F)F ZINC000410054778 230055302 /nfs/dbraw/zinc/05/53/02/230055302.db2.gz MLWLKTUFRMGDON-NSHDSACASA-N -1 3 372.340 0.924 10 0 FCAEHM O=c1[n-]cnc2c1ncn2[C@@H]1O[C@H](CO)[C@H]2O[C@@H](c3ccccc3)O[C@H]21 ZINC000005729065 487491572 /nfs/dbraw/zinc/49/15/72/487491572.db2.gz CQHKALRFCCUGIM-BOFATEMHSA-N -1 3 356.338 0.492 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@@H]1CN2CCC[C@@H]2CO1 ZINC000363693310 488874761 /nfs/dbraw/zinc/87/47/61/488874761.db2.gz PJEAAKPUVVCCPF-CHWSQXEVSA-N -1 3 374.484 0.232 10 0 FCAEHM COCC(=O)N1CCc2c1cccc2NC(=O)CC[C@@H]1NC(=O)[N-]C1=O ZINC000363817256 488888463 /nfs/dbraw/zinc/88/84/63/488888463.db2.gz HGOIHWYELDOKLS-LBPRGKRZSA-N -1 3 360.370 0.149 10 0 FCAEHM Cc1cc(C)c(S(=O)(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c(C)c1 ZINC000278714411 488891913 /nfs/dbraw/zinc/89/19/13/488891913.db2.gz KWNDNEKCXUDOSM-INIZCTEOSA-N -1 3 351.428 0.975 10 0 FCAEHM CC[C@]1(C)NC(=O)N([N-]C(=O)c2cccc(S(=O)(=O)CC)c2)C1=O ZINC000278760131 488894552 /nfs/dbraw/zinc/89/45/52/488894552.db2.gz MORPYBJRRXZIIK-HNNXBMFYSA-N -1 3 353.400 0.846 10 0 FCAEHM CCN(Cc1ccccc1)S(=O)(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000278810033 488897149 /nfs/dbraw/zinc/89/71/49/488897149.db2.gz SECDAXINBOJSFB-INIZCTEOSA-N -1 3 366.443 0.427 10 0 FCAEHM O=C(CN1CCC[C@@]2(C1)NC(=O)[N-]C2=O)N1CCSc2ccccc21 ZINC000279006272 488910851 /nfs/dbraw/zinc/91/08/51/488910851.db2.gz DMZQNFSXHACUCT-KRWDZBQOSA-N -1 3 360.439 0.799 10 0 FCAEHM CC[C@@](NC(=O)CN1CC(=O)[N-]C1=O)(C(=O)OC)c1ccc(Cl)cc1 ZINC000287800763 488907539 /nfs/dbraw/zinc/90/75/39/488907539.db2.gz JSQTZPBGQZQXAO-INIZCTEOSA-N -1 3 367.789 0.786 10 0 FCAEHM COc1ccc(-n2cc(C[N-]S(=O)(=O)C[C@@H]3CCCO3)nn2)cc1 ZINC000364011294 488913025 /nfs/dbraw/zinc/91/30/25/488913025.db2.gz QQZDPGAZBWITQO-HNNXBMFYSA-N -1 3 352.416 0.874 10 0 FCAEHM C[C@H](C(=O)NC(=O)Nc1ccccc1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279060539 488914236 /nfs/dbraw/zinc/91/42/36/488914236.db2.gz LNIVARLLKBVTRC-DIFFPNOSSA-N -1 3 359.386 0.397 10 0 FCAEHM COC(=O)c1ccccc1N(C)C(=O)CN1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279055018 488914433 /nfs/dbraw/zinc/91/44/33/488914433.db2.gz KWKQZFMDXDQTBY-GOSISDBHSA-N -1 3 374.397 0.110 10 0 FCAEHM CCOCc1ccccc1CNC(=O)CN1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279071781 488914770 /nfs/dbraw/zinc/91/47/70/488914770.db2.gz MSCJVEXWDUOQGT-IBGZPJMESA-N -1 3 374.441 0.513 10 0 FCAEHM C[C@@H](C(=O)NC(=O)NCc1ccccc1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279118174 488918278 /nfs/dbraw/zinc/91/82/78/488918278.db2.gz UIAQMXQEEVTPNW-KPZWWZAWSA-N -1 3 373.413 0.075 10 0 FCAEHM COc1cc(C)cc(NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)c1C ZINC000279190727 488923749 /nfs/dbraw/zinc/92/37/49/488923749.db2.gz KBIJXDJUYYGFFX-UHFFFAOYSA-N -1 3 352.416 0.963 10 0 FCAEHM COc1ccccc1[C@H](C)NC(=O)CN1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279152073 488920695 /nfs/dbraw/zinc/92/06/95/488920695.db2.gz YVCMBFWFYPJBPP-SGTLLEGYSA-N -1 3 360.414 0.546 10 0 FCAEHM COc1ccc(OC)c(NC(=O)CN2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000279152361 488920740 /nfs/dbraw/zinc/92/07/40/488920740.db2.gz YYAWLWBFZQPZEG-QGZVFWFLSA-N -1 3 362.386 0.316 10 0 FCAEHM O=C(/C=C/c1cncc([O-])c1)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000364088772 488921411 /nfs/dbraw/zinc/92/14/11/488921411.db2.gz YHHICGWIZSVNHC-ISZGNANSSA-N -1 3 351.428 0.827 10 0 FCAEHM O=C(Cn1cnc(-c2ccccc2)n1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279369869 488936510 /nfs/dbraw/zinc/93/65/10/488936510.db2.gz DSEQBPDYCCECFI-KRWDZBQOSA-N -1 3 354.370 0.146 10 0 FCAEHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC000279375163 488937219 /nfs/dbraw/zinc/93/72/19/488937219.db2.gz FNWNELFEDVALPI-INIZCTEOSA-N -1 3 365.411 0.602 10 0 FCAEHM Cc1n[nH]cc1[N-]S(=O)(=O)CCCS(=O)(=O)N1C[C@H](C)[C@@H]1C ZINC000349486486 489298008 /nfs/dbraw/zinc/29/80/08/489298008.db2.gz VSJRICXEQTYDNE-ONGXEEELSA-N -1 3 350.466 0.520 10 0 FCAEHM O=C(Cn1c(=O)[nH]c2ccccc2c1=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000028981141 487715570 /nfs/dbraw/zinc/71/55/70/487715570.db2.gz LNBQFSIZBZQKQG-UHFFFAOYSA-N -1 3 354.248 0.465 10 0 FCAEHM O=C(Cn1c(=O)[nH]c2ccccc2c1=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000028981141 487715577 /nfs/dbraw/zinc/71/55/77/487715577.db2.gz LNBQFSIZBZQKQG-UHFFFAOYSA-N -1 3 354.248 0.465 10 0 FCAEHM Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000042816328 487880095 /nfs/dbraw/zinc/88/00/95/487880095.db2.gz BGLBIWMYJUQVNA-HNNXBMFYSA-N -1 3 355.398 0.763 10 0 FCAEHM CN1CCC(O)(C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)CC1 ZINC000288272967 488964087 /nfs/dbraw/zinc/96/40/87/488964087.db2.gz UQJZQNJZVPFURN-UHFFFAOYSA-N -1 3 353.366 0.835 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CC[C@H](n2cncn2)C1 ZINC000364507738 488966728 /nfs/dbraw/zinc/96/67/28/488966728.db2.gz IXLVMSGDBNJCLC-RYUDHWBXSA-N -1 3 367.406 0.558 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)N(C)C[C@H]2CCCO2)ccc1F ZINC000288344639 488972515 /nfs/dbraw/zinc/97/25/15/488972515.db2.gz ZVSCIWVRRPEWCC-LLVKDONJSA-N -1 3 373.406 0.310 10 0 FCAEHM C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1nc2c(cnn2C)c(=O)[n-]1 ZINC000052826845 488183402 /nfs/dbraw/zinc/18/34/02/488183402.db2.gz YZGLYMCVADZGKT-VIFPVBQESA-N -1 3 374.426 0.255 10 0 FCAEHM O=C(CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])NCC(F)(F)F ZINC000057010027 488263870 /nfs/dbraw/zinc/26/38/70/488263870.db2.gz IMZKBDGBANQEJV-NSHDSACASA-N -1 3 373.331 0.792 10 0 FCAEHM C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000063768642 488308543 /nfs/dbraw/zinc/30/85/43/488308543.db2.gz SJKSSZBSMMMMKH-MNOVXSKESA-N -1 3 359.473 0.529 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1C[C@@H](C)OC(C)(C)C1 ZINC000065609188 488319521 /nfs/dbraw/zinc/31/95/21/488319521.db2.gz IYQVXNSFCNDHFK-KOLCDFICSA-N -1 3 359.448 0.984 10 0 FCAEHM Cc1csc([C@@H](C)NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)n1 ZINC000067939067 488358394 /nfs/dbraw/zinc/35/83/94/488358394.db2.gz ZGMKMCURRSYLQJ-SSDOTTSWSA-N -1 3 373.232 0.941 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000068098857 488360406 /nfs/dbraw/zinc/36/04/06/488360406.db2.gz FCMZKTRMEFJGTG-SDDRHHMPSA-N -1 3 371.434 0.605 10 0 FCAEHM Cc1ccc([C@@H](C)CNC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)cc1 ZINC000268202108 488396079 /nfs/dbraw/zinc/39/60/79/488396079.db2.gz YTEZVGOCJRKEKJ-ZDUSSCGKSA-N -1 3 350.444 0.927 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCCO[C@H]1CCOC1 ZINC000268215986 488397132 /nfs/dbraw/zinc/39/71/32/488397132.db2.gz IVVBRTUALVRWPC-STQMWFEESA-N -1 3 374.434 0.804 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)c2ccc3nnn(C)c3c2)s1 ZINC000184940934 488398764 /nfs/dbraw/zinc/39/87/64/488398764.db2.gz KQMZPGMVGWVEHL-UHFFFAOYSA-N -1 3 365.440 0.868 10 0 FCAEHM COC(=O)[C@]1(C)CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000268347789 488410147 /nfs/dbraw/zinc/41/01/47/488410147.db2.gz DURSSIXKILUABB-MEDUHNTESA-N -1 3 372.418 0.904 10 0 FCAEHM Cc1cc(S(=O)(=O)[N-]CC2CN(S(C)(=O)=O)C2)c(Cl)cc1F ZINC000188737148 488413223 /nfs/dbraw/zinc/41/32/23/488413223.db2.gz ROTOAZCVHFKWOG-UHFFFAOYSA-N -1 3 370.855 0.957 10 0 FCAEHM CCNC(=O)N1CC[C@@H](NC(=O)c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)C1 ZINC000268464371 488421113 /nfs/dbraw/zinc/42/11/13/488421113.db2.gz LJRNFKQJGSWFSW-FZKQIMNGSA-N -1 3 373.413 0.275 10 0 FCAEHM CCNC(=O)N1CC[C@H](NC(=O)c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)C1 ZINC000268464372 488421128 /nfs/dbraw/zinc/42/11/28/488421128.db2.gz LJRNFKQJGSWFSW-SCLBCKFNSA-N -1 3 373.413 0.275 10 0 FCAEHM CN(C)C(=O)CCN1CCN(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000268467118 488421640 /nfs/dbraw/zinc/42/16/40/488421640.db2.gz BCCQARQJEWQMFA-UHFFFAOYSA-N -1 3 352.410 0.837 10 0 FCAEHM CCC(=O)N1CC[C@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000268506473 488425870 /nfs/dbraw/zinc/42/58/70/488425870.db2.gz JDIBSJZQMBLAJX-RYUDHWBXSA-N -1 3 371.434 0.620 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC[C@@H](O)C(F)(F)F ZINC000081853012 488444608 /nfs/dbraw/zinc/44/46/08/488444608.db2.gz PNEVXLXIGREMFF-OIBJUYFYSA-N -1 3 358.313 0.532 10 0 FCAEHM O=C(CNC(=O)c1cccnc1)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000268850198 488453248 /nfs/dbraw/zinc/45/32/48/488453248.db2.gz FUYIHJBFPIUUGN-UHFFFAOYSA-N -1 3 368.393 0.502 10 0 FCAEHM CC(=O)N1CCN(C(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)[C@@H](C)C1 ZINC000269151159 488474233 /nfs/dbraw/zinc/47/42/33/488474233.db2.gz OOFIWNBKGKJMBS-VOJFVSQTSA-N -1 3 358.398 0.434 10 0 FCAEHM CS[C@@H](CO)[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000269175140 488476206 /nfs/dbraw/zinc/47/62/06/488476206.db2.gz SJPKAKYASPVNIQ-NHCYSSNCSA-N -1 3 364.464 0.721 10 0 FCAEHM O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)C1 ZINC000270606393 488517233 /nfs/dbraw/zinc/51/72/33/488517233.db2.gz PQWNVXAKHMANFG-NEPJUHHUSA-N -1 3 363.349 0.146 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC[C@H]2c2ccco2)cn1C ZINC000116211725 488546682 /nfs/dbraw/zinc/54/66/82/488546682.db2.gz RZDMQYYPUNTOKX-LBPRGKRZSA-N -1 3 352.416 0.964 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]CCNC(=O)N(C)C)c(Cl)c1 ZINC000271800593 488547139 /nfs/dbraw/zinc/54/71/39/488547139.db2.gz WNBJROVEOVSTGN-UHFFFAOYSA-N -1 3 363.823 0.676 10 0 FCAEHM Cn1nccc1CCC(=O)NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000122457129 488578665 /nfs/dbraw/zinc/57/86/65/488578665.db2.gz IHNVGAHGVRQVJZ-GOSISDBHSA-N -1 3 355.398 0.724 10 0 FCAEHM COC[C@](C)(CCO)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000272414908 488579326 /nfs/dbraw/zinc/57/93/26/488579326.db2.gz DOOSSIHQFZVAQG-GWCFXTLKSA-N -1 3 350.462 0.319 10 0 FCAEHM COc1ccc(CN(C(=O)CN2CC(=O)[N-]C2=O)[C@H](CO)C(C)C)cc1 ZINC000272456166 488581681 /nfs/dbraw/zinc/58/16/81/488581681.db2.gz XEEFXNFWUCYGIL-OAHLLOKOSA-N -1 3 363.414 0.593 10 0 FCAEHM Cc1nc(C)c(CC(=O)N2CCN(c3ccnc(N(C)C)n3)CC2)c(=O)[n-]1 ZINC000124461112 488593337 /nfs/dbraw/zinc/59/33/37/488593337.db2.gz FFSLUOWFIPBEBS-UHFFFAOYSA-N -1 3 371.445 0.134 10 0 FCAEHM CN(C)c1ncc(NC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)cn1 ZINC000124646308 488594551 /nfs/dbraw/zinc/59/45/51/488594551.db2.gz NJUVJWFNZQGZNH-UHFFFAOYSA-N -1 3 354.370 0.575 10 0 FCAEHM Cc1ncc(S(=O)(=O)[N-]C[C@@H]2CS(=O)(=O)c3ccccc3O2)s1 ZINC000563057003 491211055 /nfs/dbraw/zinc/21/10/55/491211055.db2.gz BIRIQRGDURNWAG-SNVBAGLBSA-N -1 3 374.465 0.965 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)c1cn2cccnc2n1 ZINC000126238274 488608032 /nfs/dbraw/zinc/60/80/32/488608032.db2.gz QKDAJCYDCCOIGY-UHFFFAOYSA-N -1 3 351.413 0.499 10 0 FCAEHM COc1cccc(CNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)n1 ZINC000128418482 488624382 /nfs/dbraw/zinc/62/43/82/488624382.db2.gz KCYRNAFGOCUGEQ-UHFFFAOYSA-N -1 3 369.175 0.019 10 0 FCAEHM CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NCc1ccc([O-])c(F)c1 ZINC000273191807 488637017 /nfs/dbraw/zinc/63/70/17/488637017.db2.gz ZJMYNRBJXYYLQD-UHFFFAOYSA-N -1 3 364.333 0.696 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)N2CCN(c3cccnn3)CC2)c([O-])c1 ZINC000263941091 488637566 /nfs/dbraw/zinc/63/75/66/488637566.db2.gz HENQXKYIRSNMPY-UHFFFAOYSA-N -1 3 369.425 0.959 10 0 FCAEHM Cc1nc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2O)[n-]c1Cc1ccccc1 ZINC000273308762 488643234 /nfs/dbraw/zinc/64/32/34/488643234.db2.gz BMTDGTSTXFGSIG-KBPBESRZSA-N -1 3 370.452 0.241 10 0 FCAEHM Cc1[n-]c(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2O)nc1Cc1ccccc1 ZINC000273308762 488643236 /nfs/dbraw/zinc/64/32/36/488643236.db2.gz BMTDGTSTXFGSIG-KBPBESRZSA-N -1 3 370.452 0.241 10 0 FCAEHM CCc1noc(C)c1NC(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000133038144 488657034 /nfs/dbraw/zinc/65/70/34/488657034.db2.gz JCWLDFSUNNSHJV-UHFFFAOYSA-N -1 3 355.420 0.894 10 0 FCAEHM O=C1NC2(CCCC2)C(=O)N1CCC[N-]S(=O)(=O)c1cscn1 ZINC000563052326 491210465 /nfs/dbraw/zinc/21/04/65/491210465.db2.gz NKAAQLGMVYJENH-UHFFFAOYSA-N -1 3 358.445 0.676 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(-c3nccn3C)[nH]n2)co1 ZINC000133958807 488663126 /nfs/dbraw/zinc/66/31/26/488663126.db2.gz MKCAEAAVBMZZDR-UHFFFAOYSA-N -1 3 350.360 0.564 10 0 FCAEHM CN(C)S(=O)(=O)c1cc(C(=O)Nc2cc(-c3nccn3C)[n-]n2)co1 ZINC000133955104 488663333 /nfs/dbraw/zinc/66/33/33/488663333.db2.gz KJSPPTFNFNKVLQ-UHFFFAOYSA-N -1 3 364.387 0.906 10 0 FCAEHM CN(C)S(=O)(=O)c1cc(C(=O)Nc2cc(-c3nccn3C)n[n-]2)co1 ZINC000133955104 488663335 /nfs/dbraw/zinc/66/33/35/488663335.db2.gz KJSPPTFNFNKVLQ-UHFFFAOYSA-N -1 3 364.387 0.906 10 0 FCAEHM CSCC[C@@H](NC(=O)CN1CC(=O)[N-]C1=O)c1nnc2ccccn21 ZINC000264589345 488687991 /nfs/dbraw/zinc/68/79/91/488687991.db2.gz AGJCWAUDZHVLSM-SNVBAGLBSA-N -1 3 362.415 0.192 10 0 FCAEHM C[C@H](C1CC1)n1nccc1NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000151236036 488702940 /nfs/dbraw/zinc/70/29/40/488702940.db2.gz KGXALWWJNBJQPM-SNVBAGLBSA-N -1 3 352.420 0.505 10 0 FCAEHM Cc1cccc([C@H](CNC(=O)CN2CC(=O)[N-]C2=O)N2CCOCC2)c1 ZINC000264755755 488707834 /nfs/dbraw/zinc/70/78/34/488707834.db2.gz TUMYDSXTNCKLOE-HNNXBMFYSA-N -1 3 360.414 0.036 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCO[C@]2(CCOC2)C1 ZINC000274603933 488722852 /nfs/dbraw/zinc/72/28/52/488722852.db2.gz XQVRZFPRQGOVND-BXUZGUMPSA-N -1 3 360.457 0.433 10 0 FCAEHM COc1ccc(-c2noc(C[N-]S(=O)(=O)CCOC(C)C)n2)cn1 ZINC000267038889 488755533 /nfs/dbraw/zinc/75/55/33/488755533.db2.gz CKFDODNMZZNFCI-UHFFFAOYSA-N -1 3 356.404 0.985 10 0 FCAEHM COc1ccc(-n2cc(C[N-]S(=O)(=O)c3cn(C)c(C)n3)nn2)cc1 ZINC000155910374 488760030 /nfs/dbraw/zinc/76/00/30/488760030.db2.gz KIJLNOPNMAQSEP-UHFFFAOYSA-N -1 3 362.415 0.796 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCC(NC(N)=O)CC1 ZINC000267092740 488760891 /nfs/dbraw/zinc/76/08/91/488760891.db2.gz MOMSOPSKMHTCGT-JTQLQIEISA-N -1 3 372.422 0.152 10 0 FCAEHM CCc1c(C(=O)[N-]c2nc(C)ns2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000156764136 488766937 /nfs/dbraw/zinc/76/69/37/488766937.db2.gz HMYQXUWPJRHRET-UHFFFAOYSA-N -1 3 360.399 0.607 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCN(Cc2ccccc2Cl)CC1 ZINC000158042580 488775035 /nfs/dbraw/zinc/77/50/35/488775035.db2.gz CHIPIEPBOFDZIK-ZDUSSCGKSA-N -1 3 350.806 0.582 10 0 FCAEHM COC(=O)NCCc1ccc(S(=O)(=O)[N-]C[C@H](C)C(=O)OC)s1 ZINC000276163393 488783091 /nfs/dbraw/zinc/78/30/91/488783091.db2.gz BLZOKEMTOGGPRP-VIFPVBQESA-N -1 3 364.445 0.734 10 0 FCAEHM CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1cnc([O-])n(C)c1=O ZINC000267562878 488798114 /nfs/dbraw/zinc/79/81/14/488798114.db2.gz FWFYWEVDTZTQAM-UHFFFAOYSA-N -1 3 366.368 0.968 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCCCCN2CCOCC2)ccc1F ZINC000267720472 488815084 /nfs/dbraw/zinc/81/50/84/488815084.db2.gz KDMYSLXHDVOICI-UHFFFAOYSA-N -1 3 373.450 0.576 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N[C@@H](C)c1cnn(C)c1C ZINC000171964802 488829332 /nfs/dbraw/zinc/82/93/32/488829332.db2.gz ZNQNKUCTXPDHTN-WPRPVWTQSA-N -1 3 369.447 0.878 10 0 FCAEHM C[C@H]1CCCN(S(=O)(=O)[N-][C@@H]2CCCN(c3ccn(C)n3)C2=O)C1 ZINC000173702783 488844762 /nfs/dbraw/zinc/84/47/62/488844762.db2.gz IXFCQZDAMWKLAC-QWHCGFSZSA-N -1 3 355.464 0.482 10 0 FCAEHM Cc1cc(N2CC[C@H]([N-]S(=O)(=O)N3CCC[C@H](C)C3)C2=O)n(C)n1 ZINC000173801861 488845433 /nfs/dbraw/zinc/84/54/33/488845433.db2.gz RAEWIXYOURHOJQ-AAEUAGOBSA-N -1 3 355.464 0.400 10 0 FCAEHM CNc1cc(N2CCC[C@H]2C[N-]S(=O)(=O)c2cn(C)c(C)n2)ncn1 ZINC000173898907 488845916 /nfs/dbraw/zinc/84/59/16/488845916.db2.gz MAGOKMQREBQRSY-LBPRGKRZSA-N -1 3 365.463 0.508 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@H]1CCCn2ncnc21 ZINC000176134902 488857430 /nfs/dbraw/zinc/85/74/30/488857430.db2.gz KZCOLMGVCPHROC-UWVGGRQHSA-N -1 3 355.445 0.658 10 0 FCAEHM Cc1cc2c(cc1S(=O)(=O)N1CCC[C@]3(C1)NC(=O)[N-]C3=O)OCO2 ZINC000280143762 488986477 /nfs/dbraw/zinc/98/64/77/488986477.db2.gz BZOGPOLRFIKOSZ-OAHLLOKOSA-N -1 3 367.383 0.086 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)NCC[C@@H]2CC2(F)F)cn1C ZINC000622200358 492464812 /nfs/dbraw/zinc/46/48/12/492464812.db2.gz OJRHKPWJNVBRKI-SNVBAGLBSA-N -1 3 350.391 0.558 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000329420292 489002847 /nfs/dbraw/zinc/00/28/47/489002847.db2.gz GTZQYFXBHXCJJA-YUTCNCBUSA-N -1 3 370.475 0.511 10 0 FCAEHM Cc1cccc(=O)n1C[C@@](C)(O)C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000280476504 489011944 /nfs/dbraw/zinc/01/19/44/489011944.db2.gz GAKURDVXGSDSPU-QGZVFWFLSA-N -1 3 356.386 0.670 10 0 FCAEHM Cc1cccc(=O)n1C[C@@](C)(O)C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000280476504 489011948 /nfs/dbraw/zinc/01/19/48/489011948.db2.gz GAKURDVXGSDSPU-QGZVFWFLSA-N -1 3 356.386 0.670 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@@H]1CC(=O)N(C(C)C)C1 ZINC000289250968 489052367 /nfs/dbraw/zinc/05/23/67/489052367.db2.gz BARMLYWVDAUTAL-LLVKDONJSA-N -1 3 358.416 0.971 10 0 FCAEHM COCc1ccccc1CNC(=O)CN1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000289352468 489060312 /nfs/dbraw/zinc/06/03/12/489060312.db2.gz GIIRNIVJEKDKGD-CQSZACIVSA-N -1 3 359.430 0.740 10 0 FCAEHM CN(CCCNC(=O)CN1CCC(c2nc(=O)[n-][nH]2)CC1)c1ccccc1 ZINC000289353451 489061120 /nfs/dbraw/zinc/06/11/20/489061120.db2.gz GLBCZBZSARLJCE-UHFFFAOYSA-N -1 3 372.473 0.920 10 0 FCAEHM COc1cccc(CN(C)C(=O)CN2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000289373761 489062603 /nfs/dbraw/zinc/06/26/03/489062603.db2.gz IMQJPLLTMIGFCJ-CQSZACIVSA-N -1 3 359.430 0.945 10 0 FCAEHM CO[C@H](C)[C@@H](C)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000289468596 489069664 /nfs/dbraw/zinc/06/96/64/489069664.db2.gz HEKQRIZAMZOWHM-RKDXNWHRSA-N -1 3 354.425 0.899 10 0 FCAEHM CN(C)[C@H](CNC(=O)CN1CCC[C@@H](c2nc(=O)[n-][nH]2)C1)c1ccccc1 ZINC000289503028 489071899 /nfs/dbraw/zinc/07/18/99/489071899.db2.gz UJCYQHGVGPLDMT-HZPDHXFCSA-N -1 3 372.473 0.697 10 0 FCAEHM COCc1cccc(CNC(=O)CN2CCC(c3nc(=O)[n-][nH]3)CC2)c1 ZINC000289588080 489079536 /nfs/dbraw/zinc/07/95/36/489079536.db2.gz ZKYSNBZHTSZDQL-UHFFFAOYSA-N -1 3 359.430 0.740 10 0 FCAEHM Cc1cccc(OCCCNC(=O)CN2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000365530208 489085302 /nfs/dbraw/zinc/08/53/02/489085302.db2.gz UGQIPDZWRVCLSE-IBGZPJMESA-N -1 3 374.441 0.554 10 0 FCAEHM C[C@@]1(c2ccc(C(=O)NC[C@@H](CO)c3cccnc3)cc2)NC(=O)[N-]C1=O ZINC000570311660 491232432 /nfs/dbraw/zinc/23/24/32/491232432.db2.gz UKJMBWZJOWPCMC-LIRRHRJNSA-N -1 3 368.393 0.642 10 0 FCAEHM CCN1CCN(c2ccc(C(=O)N3CCO[C@@H](c4nnn[n-]4)C3)cc2)CC1 ZINC000365772017 489111285 /nfs/dbraw/zinc/11/12/85/489111285.db2.gz MGSNGWYJYNIROG-MRXNPFEDSA-N -1 3 371.445 0.555 10 0 FCAEHM CCN1CCN(c2ccc(C(=O)N3CCO[C@@H](c4nn[n-]n4)C3)cc2)CC1 ZINC000365772017 489111287 /nfs/dbraw/zinc/11/12/87/489111287.db2.gz MGSNGWYJYNIROG-MRXNPFEDSA-N -1 3 371.445 0.555 10 0 FCAEHM O=C(CNC(=O)c1cc2ccccc2[nH]1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000366078533 489141958 /nfs/dbraw/zinc/14/19/58/489141958.db2.gz QKJASODSRUODQR-SFHVURJKSA-N -1 3 369.381 0.098 10 0 FCAEHM O=C(CNC(=O)c1cc2ccccc2[nH]1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000366078532 489141985 /nfs/dbraw/zinc/14/19/85/489141985.db2.gz QKJASODSRUODQR-GOSISDBHSA-N -1 3 369.381 0.098 10 0 FCAEHM C[C@H]1CN(C(=O)Nc2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)CC(=O)N1C ZINC000282281255 489151110 /nfs/dbraw/zinc/15/11/10/489151110.db2.gz QRQJNVLSDKYVMY-GWCFXTLKSA-N -1 3 359.386 0.132 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]CC1(CO)CCOCC1 ZINC000290795951 489166115 /nfs/dbraw/zinc/16/61/15/489166115.db2.gz QYFULSDTJSBGHE-UHFFFAOYSA-N -1 3 361.416 0.750 10 0 FCAEHM CSc1nc(C)c(CCC(=O)N2CCN(CCO)[C@@H](C)C2)c(=O)[n-]1 ZINC000331130409 489176104 /nfs/dbraw/zinc/17/61/04/489176104.db2.gz CQRDVLTUYYEMKE-NSHDSACASA-N -1 3 354.476 0.670 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)n[n-]1 ZINC000366433706 489181655 /nfs/dbraw/zinc/18/16/55/489181655.db2.gz DLOKYJQYINMKFI-UHFFFAOYSA-N -1 3 363.381 1.238 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)[n-]n1 ZINC000366433706 489181658 /nfs/dbraw/zinc/18/16/58/489181658.db2.gz DLOKYJQYINMKFI-UHFFFAOYSA-N -1 3 363.381 1.238 10 0 FCAEHM CC[C@@H]1CN(C(=O)c2cc(S(=O)(=O)[N-]C)oc2C)C[C@]2(CCOC2)O1 ZINC000366541403 489192790 /nfs/dbraw/zinc/19/27/90/489192790.db2.gz SFZZQNTUWLLNBG-WBMJQRKESA-N -1 3 372.443 0.906 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-][C@@H]2CCN(C(=O)COc3ccccc3)C2)c1 ZINC000282826661 489192864 /nfs/dbraw/zinc/19/28/64/489192864.db2.gz UYGSVSFGZPVYKE-CYBMUJFWSA-N -1 3 364.427 0.378 10 0 FCAEHM C[C@H](O)[C@H]1CN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)CCO1 ZINC000331301633 489195582 /nfs/dbraw/zinc/19/55/82/489195582.db2.gz ADKGASMNLFEJHG-GMXVVIOVSA-N -1 3 360.407 0.101 10 0 FCAEHM CC[C@@H]1[C@H](CO)CCN1C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000331318190 489197554 /nfs/dbraw/zinc/19/75/54/489197554.db2.gz JWSDBJZGABNFJO-WCBMZHEXSA-N -1 3 360.208 0.331 10 0 FCAEHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)[C@@H](C)CO)cc1F ZINC000283058426 489210906 /nfs/dbraw/zinc/21/09/06/489210906.db2.gz IDBVZXXIPXUYMK-JTQLQIEISA-N -1 3 368.452 0.979 10 0 FCAEHM O=C(NC1CC1)c1nn[n-]c1NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000297720889 489229831 /nfs/dbraw/zinc/22/98/31/489229831.db2.gz LMABNJFHATZVJM-VIFPVBQESA-N -1 3 372.360 0.828 10 0 FCAEHM O=C(NC1CC1)c1[n-]nnc1NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000297720889 489229836 /nfs/dbraw/zinc/22/98/36/489229836.db2.gz LMABNJFHATZVJM-VIFPVBQESA-N -1 3 372.360 0.828 10 0 FCAEHM O=C(NC1CC1)c1n[n-]nc1NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000297720889 489229839 /nfs/dbraw/zinc/22/98/39/489229839.db2.gz LMABNJFHATZVJM-VIFPVBQESA-N -1 3 372.360 0.828 10 0 FCAEHM O=C(Cc1cc(F)cc2c1OCOC2)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000297720722 489230063 /nfs/dbraw/zinc/23/00/63/489230063.db2.gz LKUWBUCWBGCBAU-UHFFFAOYSA-N -1 3 361.333 0.884 10 0 FCAEHM O=C(Cc1cc(F)cc2c1OCOC2)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000297720722 489230066 /nfs/dbraw/zinc/23/00/66/489230066.db2.gz LKUWBUCWBGCBAU-UHFFFAOYSA-N -1 3 361.333 0.884 10 0 FCAEHM O=C(Cc1cc(F)cc2c1OCOC2)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000297720722 489230068 /nfs/dbraw/zinc/23/00/68/489230068.db2.gz LKUWBUCWBGCBAU-UHFFFAOYSA-N -1 3 361.333 0.884 10 0 FCAEHM CC[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2[n-]nnc2C(=O)NC2CC2)C1 ZINC000297751204 489235028 /nfs/dbraw/zinc/23/50/28/489235028.db2.gz OGQVDVBNDBSXFF-QWRGUYRKSA-N -1 3 362.434 0.920 10 0 FCAEHM CC[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2nn[n-]c2C(=O)NC2CC2)C1 ZINC000297751204 489235032 /nfs/dbraw/zinc/23/50/32/489235032.db2.gz OGQVDVBNDBSXFF-QWRGUYRKSA-N -1 3 362.434 0.920 10 0 FCAEHM CC[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2n[n-]nc2C(=O)NC2CC2)C1 ZINC000297751204 489235036 /nfs/dbraw/zinc/23/50/36/489235036.db2.gz OGQVDVBNDBSXFF-QWRGUYRKSA-N -1 3 362.434 0.920 10 0 FCAEHM CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2[n-]nnc2C(=O)NC2CC2)C1 ZINC000297751199 489235091 /nfs/dbraw/zinc/23/50/91/489235091.db2.gz OGQVDVBNDBSXFF-MNOVXSKESA-N -1 3 362.434 0.920 10 0 FCAEHM CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2nn[n-]c2C(=O)NC2CC2)C1 ZINC000297751199 489235093 /nfs/dbraw/zinc/23/50/93/489235093.db2.gz OGQVDVBNDBSXFF-MNOVXSKESA-N -1 3 362.434 0.920 10 0 FCAEHM CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2n[n-]nc2C(=O)NC2CC2)C1 ZINC000297751199 489235094 /nfs/dbraw/zinc/23/50/94/489235094.db2.gz OGQVDVBNDBSXFF-MNOVXSKESA-N -1 3 362.434 0.920 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NCC1CCN(C(=O)c2ccccc2)CC1 ZINC000369552894 489252277 /nfs/dbraw/zinc/25/22/77/489252277.db2.gz WZDCYSXNOFJYHC-UHFFFAOYSA-N -1 3 358.398 0.207 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-]CC2(OC)CCOCC2)CCOCC1 ZINC000625077491 492720168 /nfs/dbraw/zinc/72/01/68/492720168.db2.gz RTDGVHMSQFTRAO-UHFFFAOYSA-N -1 3 351.465 0.687 10 0 FCAEHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H]2CC[C@H](C)S(=O)(=O)C2)s1 ZINC000657138233 492730742 /nfs/dbraw/zinc/73/07/42/492730742.db2.gz VGWYIFGVKPRJAQ-IONNQARKSA-N -1 3 367.474 0.346 10 0 FCAEHM CCn1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCO2)cn1 ZINC000349452414 489289687 /nfs/dbraw/zinc/28/96/87/489289687.db2.gz ANAZOKXQVKBVKM-UHFFFAOYSA-N -1 3 352.438 0.002 10 0 FCAEHM CCn1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@@H](C)[C@@H]2C)cn1 ZINC000349482687 489296700 /nfs/dbraw/zinc/29/67/00/489296700.db2.gz PTQBVOGHTLSPRH-NEPJUHHUSA-N -1 3 364.493 0.705 10 0 FCAEHM O=S(=O)(CCCS(=O)(=O)Nc1ccncc1)[N-]C1(C(F)F)CC1 ZINC000349538933 489311163 /nfs/dbraw/zinc/31/11/63/489311163.db2.gz VFRCWFGWJCGNPB-UHFFFAOYSA-N -1 3 369.415 0.352 10 0 FCAEHM O=S(=O)(CCCS(=O)(=O)N[C@H]1[C@@H]2CCC[C@@H]21)[N-]c1cccnc1 ZINC000349539917 489311489 /nfs/dbraw/zinc/31/14/89/489311489.db2.gz JGGMBBPXYRDWTQ-WDNDVIMCSA-N -1 3 359.473 0.931 10 0 FCAEHM O=S(=O)(CCCCS(=O)(=O)N[C@@H]1[C@@H]2CCC[C@@H]21)[N-]c1cn[nH]c1 ZINC000349587649 489321939 /nfs/dbraw/zinc/32/19/39/489321939.db2.gz NQMYPYPGYAQKHX-CLLJXQQHSA-N -1 3 362.477 0.650 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2ccnnc2)[C@H]1C ZINC000349606566 489326980 /nfs/dbraw/zinc/32/69/80/489326980.db2.gz JTQZGGSMXDJOBK-NEPJUHHUSA-N -1 3 362.477 0.669 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c(C)o1 ZINC000370244346 489333969 /nfs/dbraw/zinc/33/39/69/489333969.db2.gz PHMRBYLGZZMAQW-HLUHBDAQSA-N -1 3 355.416 0.235 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c(C)o1 ZINC000370244348 489334159 /nfs/dbraw/zinc/33/41/59/489334159.db2.gz PHMRBYLGZZMAQW-UISBYWKRSA-N -1 3 355.416 0.235 10 0 FCAEHM CN(C)c1nc(C(=O)NCc2ccccc2CS(C)(=O)=O)cc(=O)[n-]1 ZINC000555281970 491244292 /nfs/dbraw/zinc/24/42/92/491244292.db2.gz HRXLQYAWMZITAU-UHFFFAOYSA-N -1 3 364.427 0.723 10 0 FCAEHM COc1nc(NC(=O)CN2C(=O)N[C@]3(CCCC(C)(C)C3)C2=O)n[n-]1 ZINC000370368887 489350497 /nfs/dbraw/zinc/35/04/97/489350497.db2.gz YCZCQPFHRMENCF-HNNXBMFYSA-N -1 3 350.379 0.643 10 0 FCAEHM COc1nnc(NC(=O)CN2C(=O)N[C@]3(CCCC(C)(C)C3)C2=O)[n-]1 ZINC000370368887 489350499 /nfs/dbraw/zinc/35/04/99/489350499.db2.gz YCZCQPFHRMENCF-HNNXBMFYSA-N -1 3 350.379 0.643 10 0 FCAEHM COc1n[n-]c(NC(=O)CN2C(=O)N[C@]3(CCCC(C)(C)C3)C2=O)n1 ZINC000370368887 489350501 /nfs/dbraw/zinc/35/05/01/489350501.db2.gz YCZCQPFHRMENCF-HNNXBMFYSA-N -1 3 350.379 0.643 10 0 FCAEHM Cc1cc(C)n(-c2ccc(-c3noc(C[C@@H]4NC(=O)[N-]C4=O)n3)nc2)n1 ZINC000351322940 489355239 /nfs/dbraw/zinc/35/52/39/489355239.db2.gz HLFYYCUZOCKHHC-LBPRGKRZSA-N -1 3 353.342 0.685 10 0 FCAEHM COC(=O)[C@@H](CF)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000286492554 489396940 /nfs/dbraw/zinc/39/69/40/489396940.db2.gz AERZAFGIJGACHZ-SECBINFHSA-N -1 3 357.356 0.019 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCCN1CCCC1=O ZINC000298853578 489374250 /nfs/dbraw/zinc/37/42/50/489374250.db2.gz MZIDDBIMKCVQHO-NSHDSACASA-N -1 3 359.473 0.544 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)C[C@@H]2Oc3ccccc3NC2=O)nc1=N ZINC000555534286 491253099 /nfs/dbraw/zinc/25/30/99/491253099.db2.gz LURRBEOEEUKANY-YPMHNXCESA-N -1 3 356.386 0.681 10 0 FCAEHM COc1cccc(-c2nc(=NC(=O)N3CCN(C)C[C@H]3CN)s[n-]2)c1 ZINC000570616032 491253687 /nfs/dbraw/zinc/25/36/87/491253687.db2.gz JOXBVCWBNGOHFI-GFCCVEGCSA-N -1 3 362.459 0.742 10 0 FCAEHM CN1CC(=O)N(CCCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000299384490 489436880 /nfs/dbraw/zinc/43/68/80/489436880.db2.gz XRWQOOFJCIINQO-UHFFFAOYSA-N -1 3 357.374 0.157 10 0 FCAEHM CN1CC(=O)N(CCCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000299384490 489436882 /nfs/dbraw/zinc/43/68/82/489436882.db2.gz XRWQOOFJCIINQO-UHFFFAOYSA-N -1 3 357.374 0.157 10 0 FCAEHM Cc1nc2n(n1)CCN(C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])C2 ZINC000371077836 489448773 /nfs/dbraw/zinc/44/87/73/489448773.db2.gz DYJZAQATPDTNKU-AWEZNQCLSA-N -1 3 355.398 0.939 10 0 FCAEHM NC(=O)[C@@H]1CC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])O1 ZINC000371143161 489456180 /nfs/dbraw/zinc/45/61/80/489456180.db2.gz YFNFCUXRPLDBAG-WHOFXGATSA-N -1 3 361.398 0.146 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)ccc1F ZINC000363365690 489457696 /nfs/dbraw/zinc/45/76/96/489457696.db2.gz QEIDNIGLMCTYPP-XWIASGKRSA-N -1 3 369.418 0.473 10 0 FCAEHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000363437837 489466866 /nfs/dbraw/zinc/46/68/66/489466866.db2.gz YACGWKCQRNKUPO-XWIASGKRSA-N -1 3 370.402 0.900 10 0 FCAEHM O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000363453118 489468857 /nfs/dbraw/zinc/46/88/57/489468857.db2.gz RDUAHUAXYKAYEN-UXLLHSPISA-N -1 3 373.453 0.976 10 0 FCAEHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000363532604 489476298 /nfs/dbraw/zinc/47/62/98/489476298.db2.gz KGEXYGVWNVQYCK-XWIASGKRSA-N -1 3 370.402 0.900 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]C[C@H]1CCN(C)C(=O)C1 ZINC000632481644 493006368 /nfs/dbraw/zinc/00/63/68/493006368.db2.gz BHDOESZFRGXFEY-QMMMGPOBSA-N -1 3 354.354 0.586 10 0 FCAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C1(CC(N)=O)CCC1 ZINC000451301949 489497666 /nfs/dbraw/zinc/49/76/66/489497666.db2.gz YMHJXXUALAWQHK-QMMMGPOBSA-N -1 3 360.354 0.588 10 0 FCAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CC[C@@H](C)[S@](C)=O ZINC000451324754 489498492 /nfs/dbraw/zinc/49/84/92/489498492.db2.gz MFXAMAJKLKYDIP-FQJNGZCASA-N -1 3 367.411 0.947 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C[C@H]1CCCCN1CCO ZINC000451674389 489517633 /nfs/dbraw/zinc/51/76/33/489517633.db2.gz YMJRFGDZZAEHKA-CYBMUJFWSA-N -1 3 374.459 0.808 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000372255968 489564006 /nfs/dbraw/zinc/56/40/06/489564006.db2.gz PMSAUHCTSNFPNL-UWVGGRQHSA-N -1 3 368.340 0.581 10 0 FCAEHM COC(=O)CC[C@@H]([N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C)C(=O)OC ZINC000416470437 489597349 /nfs/dbraw/zinc/59/73/49/489597349.db2.gz MNGSZSRYZBOCRZ-WDEREUQCSA-N -1 3 373.431 0.554 10 0 FCAEHM COC(=O)Cc1cc(OC)ccc1S(=O)(=O)NCc1ncccc1[O-] ZINC000416477865 489598862 /nfs/dbraw/zinc/59/88/62/489598862.db2.gz WVBPDJCUJATOOV-UHFFFAOYSA-N -1 3 366.395 0.990 10 0 FCAEHM CNC(=O)[C@H](CCSC)[N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C ZINC000416489666 489600560 /nfs/dbraw/zinc/60/05/60/489600560.db2.gz SEMJAKIUSPTLSV-MNOVXSKESA-N -1 3 360.505 0.926 10 0 FCAEHM COCCNC(=O)C1([N-]S(=O)(=O)c2cn3c(n2)CCC[C@H]3C)CC1 ZINC000416566588 489610112 /nfs/dbraw/zinc/61/01/12/489610112.db2.gz HDMWILPSTKUKRY-LLVKDONJSA-N -1 3 356.448 0.354 10 0 FCAEHM COC(=O)[C@H](CC1CC1)[N-]S(=O)(=O)C1CN(C(=O)c2ccccc2)C1 ZINC000416585487 489614289 /nfs/dbraw/zinc/61/42/89/489614289.db2.gz NSBJJMYBAPTTOE-HNNXBMFYSA-N -1 3 366.439 0.772 10 0 FCAEHM C[C@H](O)CN(CC(F)F)C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000456639274 489621687 /nfs/dbraw/zinc/62/16/87/489621687.db2.gz VJTPNYOHBMXNTH-UWVGGRQHSA-N -1 3 368.377 0.967 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN[C@H](c3ccccc3)C2)cn1 ZINC000457030749 489632798 /nfs/dbraw/zinc/63/27/98/489632798.db2.gz RUKGTTIZVWONGJ-HNNXBMFYSA-N -1 3 360.439 0.776 10 0 FCAEHM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000428056521 489635382 /nfs/dbraw/zinc/63/53/82/489635382.db2.gz MOVBDNKHQOEMED-MNOVXSKESA-N -1 3 359.382 0.714 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)N2CCO[C@H]([C@H](C)O)C2)ccc1F ZINC000417098102 489641197 /nfs/dbraw/zinc/64/11/97/489641197.db2.gz BLCXZBXVVKGAFJ-CABZTGNLSA-N -1 3 361.395 0.347 10 0 FCAEHM C[C@@H](NC(=O)c1cc(=O)[n-]c(N(C)C)n1)C(=O)NCCc1ccccc1 ZINC000457256858 489642632 /nfs/dbraw/zinc/64/26/32/489642632.db2.gz DYUPUYVTXOQFLQ-GFCCVEGCSA-N -1 3 357.414 0.725 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CNCCC2(F)F)c(F)c1 ZINC000570841175 491268901 /nfs/dbraw/zinc/26/89/01/491268901.db2.gz CRTUYPLGRXKKRW-LLVKDONJSA-N -1 3 352.334 0.888 10 0 FCAEHM C[C@@H]1CN(C(=O)CC[N-]S(=O)(=O)c2ccccc2F)CCN1CCO ZINC000428544845 489653011 /nfs/dbraw/zinc/65/30/11/489653011.db2.gz KMSYOQJPVVRVGE-CYBMUJFWSA-N -1 3 373.450 0.019 10 0 FCAEHM COCCN(C(=O)CNC(=O)c1c[n-]c2ccccc2c1=O)[C@@H]1CCOC1 ZINC000428548018 489653124 /nfs/dbraw/zinc/65/31/24/489653124.db2.gz DMZIPVZBCXQCDM-CYBMUJFWSA-N -1 3 373.409 0.522 10 0 FCAEHM COc1nc(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)n[n-]1 ZINC000373042316 489663594 /nfs/dbraw/zinc/66/35/94/489663594.db2.gz LJPVEAFNYLTCAF-ZYHUDNBSSA-N -1 3 361.406 0.874 10 0 FCAEHM COc1nnc(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)[n-]1 ZINC000373042316 489663598 /nfs/dbraw/zinc/66/35/98/489663598.db2.gz LJPVEAFNYLTCAF-ZYHUDNBSSA-N -1 3 361.406 0.874 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)n1 ZINC000373042316 489663601 /nfs/dbraw/zinc/66/36/01/489663601.db2.gz LJPVEAFNYLTCAF-ZYHUDNBSSA-N -1 3 361.406 0.874 10 0 FCAEHM Cn1cnc(CCNC(=O)NCC[N-]S(=O)(=O)c2cccs2)c1 ZINC000458581512 489689746 /nfs/dbraw/zinc/68/97/46/489689746.db2.gz ORXXITMYGMYCOE-UHFFFAOYSA-N -1 3 357.461 0.302 10 0 FCAEHM COc1cccc(N2C[C@@H](NC(=O)C(=O)[N-]c3cnns3)CC2=O)c1 ZINC000429667903 489695933 /nfs/dbraw/zinc/69/59/33/489695933.db2.gz ZIOMKRWJLBGCOS-VIFPVBQESA-N -1 3 361.383 0.407 10 0 FCAEHM COC(=O)Cn1cc(S(=O)(=O)[N-]CC[C@H](OC)C(F)(F)F)cn1 ZINC000469221127 489696042 /nfs/dbraw/zinc/69/60/42/489696042.db2.gz FSZMSMGEWCWEAL-VIFPVBQESA-N -1 3 359.326 0.302 10 0 FCAEHM COCCc1cc(NC(=O)c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)n(C)n1 ZINC000489295466 489705332 /nfs/dbraw/zinc/70/53/32/489705332.db2.gz QQHOFEGXVJGCJZ-SFHVURJKSA-N -1 3 371.397 0.916 10 0 FCAEHM COc1ccc([C@@H](CC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)NC(C)=O)cc1 ZINC000489477351 489712739 /nfs/dbraw/zinc/71/27/39/489712739.db2.gz GPFSVAROUKVGCR-CABCVRRESA-N -1 3 374.397 0.025 10 0 FCAEHM CN(C)S(=O)(=O)N1CCCN(Cc2cc(=O)[n-]c(C3CC3)n2)CC1 ZINC000459503414 489735994 /nfs/dbraw/zinc/73/59/94/489735994.db2.gz PWERRODYGOGZJR-UHFFFAOYSA-N -1 3 355.464 0.374 10 0 FCAEHM CCC1(CC)NC(=O)N(CC(=O)Nc2ccc(Cc3nnn[n-]3)cc2)C1=O ZINC000473904775 489742830 /nfs/dbraw/zinc/74/28/30/489742830.db2.gz YETZPTDMHYAOIW-UHFFFAOYSA-N -1 3 371.401 0.840 10 0 FCAEHM CCC1(CC)NC(=O)N(CC(=O)Nc2ccc(Cc3nn[n-]n3)cc2)C1=O ZINC000473904775 489742834 /nfs/dbraw/zinc/74/28/34/489742834.db2.gz YETZPTDMHYAOIW-UHFFFAOYSA-N -1 3 371.401 0.840 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCCC[C@@H]2C(N)=O)cn1 ZINC000474262325 489749887 /nfs/dbraw/zinc/74/98/87/489749887.db2.gz AOKHELPFUGAGGA-NWDGAFQWSA-N -1 3 354.432 0.154 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C)c1ncc(Br)cn1 ZINC000431634143 489814448 /nfs/dbraw/zinc/81/44/48/489814448.db2.gz MDXVHYUFUBQNEG-SFYZADRCSA-N -1 3 365.253 0.696 10 0 FCAEHM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1CCCN(C)C1 ZINC000681998561 493259850 /nfs/dbraw/zinc/25/98/50/493259850.db2.gz POBDLZQZCSUDTR-GFCCVEGCSA-N -1 3 361.489 0.309 10 0 FCAEHM CN1C(=O)CN([N-]C(=O)C(=O)Nc2ccc3c(c2)C(=O)CC(C)(C)O3)C1=O ZINC000376945501 489822236 /nfs/dbraw/zinc/82/22/36/489822236.db2.gz OCFQMFMJCXDXMJ-UHFFFAOYSA-N -1 3 374.353 0.294 10 0 FCAEHM CCOC(=O)c1c[n-]nc1S(=O)(=O)N(C)c1cccnc1N(C)C ZINC000432350884 489838993 /nfs/dbraw/zinc/83/89/93/489838993.db2.gz GKKWLUVEGGWUIO-UHFFFAOYSA-N -1 3 353.404 0.873 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)NC[C@@]1(CCO)CCOC1 ZINC000475823553 489852827 /nfs/dbraw/zinc/85/28/27/489852827.db2.gz DQMJJYDIHNVJDT-CQSZACIVSA-N -1 3 362.473 0.322 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)NCCC[C@H]2CCCC[C@@H]2O)cn1C ZINC000433273258 489875335 /nfs/dbraw/zinc/87/53/35/489875335.db2.gz RJZVOPHNNIKSDS-KGLIPLIRSA-N -1 3 372.491 0.454 10 0 FCAEHM Cc1ccc(Cn2cccc(NC(=O)C[C@@H]3NC(=O)[N-]C3=O)c2=O)cc1 ZINC000494361158 489886190 /nfs/dbraw/zinc/88/61/90/489886190.db2.gz YGHDBBWSUMQSEI-AWEZNQCLSA-N -1 3 354.366 0.742 10 0 FCAEHM CCOC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)ccc1C(=O)OC ZINC000494356414 489886212 /nfs/dbraw/zinc/88/62/12/489886212.db2.gz KMLZIPMGVAWWBM-JTQLQIEISA-N -1 3 359.400 0.963 10 0 FCAEHM NC(=O)c1coc(C[N-]S(=O)(=O)c2cnn(CC(F)(F)F)c2)c1 ZINC000494377754 489888156 /nfs/dbraw/zinc/88/81/56/489888156.db2.gz ZTAWNTLLLNUSEJ-UHFFFAOYSA-N -1 3 352.294 0.616 10 0 FCAEHM COCC[C@@H](COC)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000461262252 489900339 /nfs/dbraw/zinc/90/03/39/489900339.db2.gz GCPUSQQCDFJCMY-MNOVXSKESA-N -1 3 350.462 0.583 10 0 FCAEHM COC[C@H](CO)NC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000461436585 489910402 /nfs/dbraw/zinc/91/04/02/489910402.db2.gz PCNDMSRTGRLHEL-JTQLQIEISA-N -1 3 374.440 0.557 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N1CCSC[C@@H]1CCO ZINC000494911893 489920395 /nfs/dbraw/zinc/92/03/95/489920395.db2.gz UYUYKGQGNOKXTG-LBPRGKRZSA-N -1 3 363.439 0.819 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cnn(-c3ncccn3)c2)c(C)o1 ZINC000434271166 489920539 /nfs/dbraw/zinc/92/05/39/489920539.db2.gz VUJFPILPARMMKH-UHFFFAOYSA-N -1 3 362.371 0.724 10 0 FCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000495180452 489929865 /nfs/dbraw/zinc/92/98/65/489929865.db2.gz NDAYUERZVAGNBY-VHSXEESVSA-N -1 3 355.366 0.787 10 0 FCAEHM O=C(CCCN1CCN(c2ccccc2)CC1)NC1(c2nnn[n-]2)CC1 ZINC000477045427 489935559 /nfs/dbraw/zinc/93/55/59/489935559.db2.gz RNHHUCVULTWYJW-UHFFFAOYSA-N -1 3 355.446 0.907 10 0 FCAEHM O=C(CCCN1CCN(c2ccccc2)CC1)NC1(c2nn[n-]n2)CC1 ZINC000477045427 489935563 /nfs/dbraw/zinc/93/55/63/489935563.db2.gz RNHHUCVULTWYJW-UHFFFAOYSA-N -1 3 355.446 0.907 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCC1(S(C)(=O)=O)CC1 ZINC000477231828 489951981 /nfs/dbraw/zinc/95/19/81/489951981.db2.gz NUTDNNKRJWKPER-UHFFFAOYSA-N -1 3 364.427 0.858 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-][C@H]2CCN(C3CCOCC3)C2=O)CCC1 ZINC000462090758 489956722 /nfs/dbraw/zinc/95/67/22/489956722.db2.gz GUUGXZBJOMYVRB-ZDUSSCGKSA-N -1 3 374.459 0.029 10 0 FCAEHM COc1ccc(S(=O)(=O)NCCCCF)cc1[C@]1(C)NC(=O)[N-]C1=O ZINC000462115233 489958534 /nfs/dbraw/zinc/95/85/34/489958534.db2.gz DZQTXQDVJKGLHU-HNNXBMFYSA-N -1 3 373.406 0.778 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)CCCS(C)(=O)=O)c1nc(C(C)(C)C)no1 ZINC000462684041 489987606 /nfs/dbraw/zinc/98/76/06/489987606.db2.gz PXRVKPMZDMTCFF-SECBINFHSA-N -1 3 353.466 0.782 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)CN2C(=O)COc3ccccc32)n[n-]1 ZINC000435716417 490005131 /nfs/dbraw/zinc/00/51/31/490005131.db2.gz VGXORCKRJFEOJT-UHFFFAOYSA-N -1 3 352.354 1.174 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)CN2C(=O)COc3ccccc32)[n-]n1 ZINC000435716417 490005135 /nfs/dbraw/zinc/00/51/35/490005135.db2.gz VGXORCKRJFEOJT-UHFFFAOYSA-N -1 3 352.354 1.174 10 0 FCAEHM Cn1nnc2c1nccc2C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000436619640 490009507 /nfs/dbraw/zinc/00/95/07/490009507.db2.gz QFDZUNJCXXCUNO-UHFFFAOYSA-N -1 3 353.342 0.512 10 0 FCAEHM CN(C)S(=O)(=O)CCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436618771 490009856 /nfs/dbraw/zinc/00/98/56/490009856.db2.gz MUOAHPCUMIMFEX-CYBMUJFWSA-N -1 3 369.443 0.004 10 0 FCAEHM COC(=O)C[C@H](NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)C(=O)OC ZINC000436757314 490012846 /nfs/dbraw/zinc/01/28/46/490012846.db2.gz SGVUFDWZWUNVQF-NSHDSACASA-N -1 3 351.355 0.940 10 0 FCAEHM COCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])C(=O)OC ZINC000436827764 490014104 /nfs/dbraw/zinc/01/41/04/490014104.db2.gz GEAOVMDAQYWWAP-KGLIPLIRSA-N -1 3 364.398 0.691 10 0 FCAEHM CC[C@@H](CO)N1CCN(C(=O)CCNC(=O)c2ccc(C)cc2[O-])CC1 ZINC000436904736 490015479 /nfs/dbraw/zinc/01/54/79/490015479.db2.gz ZPACWODMBDRFGD-HNNXBMFYSA-N -1 3 363.458 0.736 10 0 FCAEHM COCCCOC1CN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000478569568 490025950 /nfs/dbraw/zinc/02/59/50/490025950.db2.gz PUMSUFDPJLGAOS-LBPRGKRZSA-N -1 3 374.434 0.756 10 0 FCAEHM C[C@@]1(c2ccc(C(=O)NCC(=O)NCc3ccco3)cc2)NC(=O)[N-]C1=O ZINC000478745246 490035350 /nfs/dbraw/zinc/03/53/50/490035350.db2.gz XCJJAYKNAIDFIO-SFHVURJKSA-N -1 3 370.365 0.380 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000378330852 490051162 /nfs/dbraw/zinc/05/11/62/490051162.db2.gz BZIHCROQNRMPMO-GFCCVEGCSA-N -1 3 369.324 0.740 10 0 FCAEHM CNC(=O)c1ccc(S(=O)(=O)NCc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000478902329 490051949 /nfs/dbraw/zinc/05/19/49/490051949.db2.gz AQRSAXOCBJDFMR-UHFFFAOYSA-N -1 3 363.321 0.662 10 0 FCAEHM CNC(=O)c1ccc(S(=O)(=O)NCc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000478902329 490051954 /nfs/dbraw/zinc/05/19/54/490051954.db2.gz AQRSAXOCBJDFMR-UHFFFAOYSA-N -1 3 363.321 0.662 10 0 FCAEHM CNC(=O)c1ccc(S(=O)(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000478902329 490051960 /nfs/dbraw/zinc/05/19/60/490051960.db2.gz AQRSAXOCBJDFMR-UHFFFAOYSA-N -1 3 363.321 0.662 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-][C@H](CO)c2c(F)cccc2F)C[C@H](C)O1 ZINC000443274621 490068774 /nfs/dbraw/zinc/06/87/74/490068774.db2.gz OBUIXLMZLSNBSF-GBIKHYSHSA-N -1 3 350.387 0.942 10 0 FCAEHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000443305409 490069446 /nfs/dbraw/zinc/06/94/46/490069446.db2.gz GGNSEGWOEGLSDM-HOSYDEDBSA-N -1 3 370.402 0.900 10 0 FCAEHM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCN2CCOC)o1 ZINC000479230139 490076352 /nfs/dbraw/zinc/07/63/52/490076352.db2.gz WJXPGBOPDLALLM-LBPRGKRZSA-N -1 3 360.432 0.845 10 0 FCAEHM C[C@@H](CNC(=O)Cc1ccc(Br)cc1[O-])S(N)(=O)=O ZINC000495725976 490089595 /nfs/dbraw/zinc/08/95/95/490089595.db2.gz DKIGBBMVMWBEMI-ZETCQYMHSA-N -1 3 351.222 0.490 10 0 FCAEHM CC(=O)N[C@@H]1CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000421952748 490119034 /nfs/dbraw/zinc/11/90/34/490119034.db2.gz RYMDUVHZRRDJOH-CMPLNLGQSA-N -1 3 357.407 0.230 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)cc1F ZINC000445048697 490122645 /nfs/dbraw/zinc/12/26/45/490122645.db2.gz ILEUCYJWZXMERW-GPCCPHFNSA-N -1 3 370.402 0.900 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1C(N)=O ZINC000465494076 490125143 /nfs/dbraw/zinc/12/51/43/490125143.db2.gz OKNKXLIBPJLEBO-WDEREUQCSA-N -1 3 360.457 0.413 10 0 FCAEHM COc1cc(C(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)cc(OC)c1[O-] ZINC000506688757 490127366 /nfs/dbraw/zinc/12/73/66/490127366.db2.gz OQOHXWYLBPJVJK-PWSUYJOCSA-N -1 3 372.443 0.857 10 0 FCAEHM C[C@]1(c2ccc(C(=O)N3CCCC[C@@H]3CC(N)=O)cc2)NC(=O)[N-]C1=O ZINC000497298042 490143624 /nfs/dbraw/zinc/14/36/24/490143624.db2.gz VSOZHIVQFXNFLC-FZKQIMNGSA-N -1 3 358.398 0.611 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2[C@H]2CNC(=O)C2)c(C)o1 ZINC000497364972 490154364 /nfs/dbraw/zinc/15/43/64/490154364.db2.gz LTUNKOAXUGXODL-DGCLKSJQSA-N -1 3 369.443 0.627 10 0 FCAEHM CCNC(=O)c1ccc(NCC[N-]S(=O)(=O)c2cccs2)nn1 ZINC000446978072 490178127 /nfs/dbraw/zinc/17/81/27/490178127.db2.gz AFLKCPMOXWTRMB-UHFFFAOYSA-N -1 3 355.445 0.678 10 0 FCAEHM Cn1ccnc1CN1CCN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)CC1 ZINC000520692295 490180086 /nfs/dbraw/zinc/18/00/86/490180086.db2.gz VUALLXVPANZQKT-UHFFFAOYSA-N -1 3 368.397 0.653 10 0 FCAEHM O=C(N[C@@H]1CCOC2(CCSCC2)C1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000546138574 490194846 /nfs/dbraw/zinc/19/48/46/490194846.db2.gz UGBJBDZKGMPLOF-VXGBXAGGSA-N -1 3 368.459 0.377 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)c(C)o1 ZINC000408052789 490231113 /nfs/dbraw/zinc/23/11/13/490231113.db2.gz RFJYYIUWFVLHKO-IACUBPJLSA-N -1 3 372.443 0.498 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H]1CCN2CCCC[C@H]12 ZINC000408061651 490234910 /nfs/dbraw/zinc/23/49/10/490234910.db2.gz KXSVQCONBWUIOL-QWHCGFSZSA-N -1 3 358.485 0.995 10 0 FCAEHM CO[C@H]1CN(C(=O)CC[N-]S(=O)(=O)c2cn(C)c(C)n2)CC[C@@H]1C ZINC000467049760 490243286 /nfs/dbraw/zinc/24/32/86/490243286.db2.gz WWZRBWQQDPEFCG-AAEUAGOBSA-N -1 3 358.464 0.280 10 0 FCAEHM CO[C@@H](CCNC(=O)C[N-]S(=O)(=O)c1c(C)noc1C)C(F)(F)F ZINC000564525599 491312251 /nfs/dbraw/zinc/31/22/51/491312251.db2.gz SQQZMDSUPQFKDH-VIFPVBQESA-N -1 3 373.353 0.653 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)Nc2cn(C)nc2C(C)C)cn1C ZINC000482905325 490260988 /nfs/dbraw/zinc/26/09/88/490260988.db2.gz OXTCPJLWXYEQQR-UHFFFAOYSA-N -1 3 354.436 0.502 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000408167676 490264185 /nfs/dbraw/zinc/26/41/85/490264185.db2.gz FNUZDHPHMJLWSD-UMNHJUIQSA-N -1 3 358.464 0.509 10 0 FCAEHM CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000447751970 490266431 /nfs/dbraw/zinc/26/64/31/490266431.db2.gz UEHNNISHKHQPKG-APPDUMDISA-N -1 3 367.450 0.309 10 0 FCAEHM COCCOc1ccc(-c2noc(C[C@@H]3NC(=O)[N-]C3=O)n2)cc1F ZINC000547153949 490270138 /nfs/dbraw/zinc/27/01/38/490270138.db2.gz RUBCCBFEWXDHNR-JTQLQIEISA-N -1 3 350.306 0.651 10 0 FCAEHM CCOC(=O)c1cnc(C)c(C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000447760507 490270927 /nfs/dbraw/zinc/27/09/27/490270927.db2.gz NMWHHXVONQSGOI-QGZVFWFLSA-N -1 3 360.370 0.381 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CCc1nnc2n1CCC2 ZINC000507879283 490273699 /nfs/dbraw/zinc/27/36/99/490273699.db2.gz QUWXQNJYSBBZFS-UHFFFAOYSA-N -1 3 370.456 0.149 10 0 FCAEHM CCC[C@H](C)[C@@H](CO)NC(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000571530689 491313658 /nfs/dbraw/zinc/31/36/58/491313658.db2.gz WMSNIBRGWRQAAZ-WCQYABFASA-N -1 3 360.480 0.310 10 0 FCAEHM C[C@H]1CCCCN1S(=O)(=O)[N-][C@H]1CCCN(c2ccnn2C)C1=O ZINC000408387785 490323013 /nfs/dbraw/zinc/32/30/13/490323013.db2.gz YFJRAOAMFHOPFE-STQMWFEESA-N -1 3 355.464 0.624 10 0 FCAEHM CC1(C)NC(=O)N(CC(=O)Nc2ccccc2[N-]S(C)(=O)=O)C1=O ZINC000498767600 490338628 /nfs/dbraw/zinc/33/86/28/490338628.db2.gz WLQXGXFGCAUTKV-UHFFFAOYSA-N -1 3 354.388 0.327 10 0 FCAEHM C[C@](O)(Cn1ccccc1=O)C(=O)[N-]c1nncn1Cc1ccccc1 ZINC000547733602 490349377 /nfs/dbraw/zinc/34/93/77/490349377.db2.gz WGCMTRGBNNEWCX-SFHVURJKSA-N -1 3 353.382 0.878 10 0 FCAEHM COCCCS(=O)(=O)[N-]CC(=O)Nc1cc(-c2ccccc2F)on1 ZINC000448493042 490356216 /nfs/dbraw/zinc/35/62/16/490356216.db2.gz RTCJHWQYBDYULB-UHFFFAOYSA-N -1 3 371.390 1.375 10 0 FCAEHM COCCOc1cccc(CC(=O)Nc2[n-]nnc2C(=O)NC2CC2)c1 ZINC000411105163 490387989 /nfs/dbraw/zinc/38/79/89/490387989.db2.gz QXARDZIHXJHODI-UHFFFAOYSA-N -1 3 359.386 0.903 10 0 FCAEHM COCCOc1cccc(CC(=O)Nc2nn[n-]c2C(=O)NC2CC2)c1 ZINC000411105163 490387998 /nfs/dbraw/zinc/38/79/98/490387998.db2.gz QXARDZIHXJHODI-UHFFFAOYSA-N -1 3 359.386 0.903 10 0 FCAEHM COCCOc1cccc(CC(=O)Nc2n[n-]nc2C(=O)NC2CC2)c1 ZINC000411105163 490388004 /nfs/dbraw/zinc/38/80/04/490388004.db2.gz QXARDZIHXJHODI-UHFFFAOYSA-N -1 3 359.386 0.903 10 0 FCAEHM CCCC(=O)N1CSC[C@@H]1C(=O)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000411104345 490388034 /nfs/dbraw/zinc/38/80/34/490388034.db2.gz LWNKYMFBASJNMK-SECBINFHSA-N -1 3 352.420 0.337 10 0 FCAEHM CCCC(=O)N1CSC[C@@H]1C(=O)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000411104345 490388040 /nfs/dbraw/zinc/38/80/40/490388040.db2.gz LWNKYMFBASJNMK-SECBINFHSA-N -1 3 352.420 0.337 10 0 FCAEHM CCCC(=O)N1CSC[C@@H]1C(=O)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000411104345 490388045 /nfs/dbraw/zinc/38/80/45/490388045.db2.gz LWNKYMFBASJNMK-SECBINFHSA-N -1 3 352.420 0.337 10 0 FCAEHM CN(Cc1cc(=O)[n-]c(N)n1)[C@H]1CCN(C(=O)c2cccc3c2OCO3)C1 ZINC000509133088 490393116 /nfs/dbraw/zinc/39/31/16/490393116.db2.gz WEMHTLMJGZQPHS-LBPRGKRZSA-N -1 3 371.397 0.840 10 0 FCAEHM COC(=O)c1cccc2nc(NC(=O)[C@](C)(O)Cn3ccccc3=O)[n-]c21 ZINC000468415485 490400841 /nfs/dbraw/zinc/40/08/41/490400841.db2.gz XUKSKORYDFBYOP-GOSISDBHSA-N -1 3 370.365 0.901 10 0 FCAEHM COC(=O)c1cccc2[n-]c(NC(=O)[C@](C)(O)Cn3ccccc3=O)nc21 ZINC000468415485 490400845 /nfs/dbraw/zinc/40/08/45/490400845.db2.gz XUKSKORYDFBYOP-GOSISDBHSA-N -1 3 370.365 0.901 10 0 FCAEHM C[C@](O)(Cn1ccccc1=O)C(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000468415708 490400974 /nfs/dbraw/zinc/40/09/74/490400974.db2.gz BFWGGFHNGARIAM-IBGZPJMESA-N -1 3 373.409 0.241 10 0 FCAEHM CS[C@H](CO)[C@H](C)[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000534741607 490405139 /nfs/dbraw/zinc/40/51/39/490405139.db2.gz DWSJCLANQNBLEZ-VHSXEESVSA-N -1 3 353.487 0.481 10 0 FCAEHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C[C@]1(CCO)CCOC1 ZINC000534745469 490405494 /nfs/dbraw/zinc/40/54/94/490405494.db2.gz RBRIEFBQXUAGNM-HNNXBMFYSA-N -1 3 361.391 0.680 10 0 FCAEHM CN([C@H]1CCOC1)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1CC1 ZINC000548042424 490412138 /nfs/dbraw/zinc/41/21/38/490412138.db2.gz KQERYTPNWUQOTE-LBPRGKRZSA-N -1 3 360.457 0.537 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1ccc(CCC(=O)N2CCCC2)cc1 ZINC000522938118 490421221 /nfs/dbraw/zinc/42/12/21/490421221.db2.gz OEILWHIGWPFYBF-UHFFFAOYSA-N -1 3 358.398 0.732 10 0 FCAEHM CN(CC1(CO)CC1)C(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000509619538 490444538 /nfs/dbraw/zinc/44/45/38/490444538.db2.gz GPKMCWNRSSUAOK-UHFFFAOYSA-N -1 3 362.398 0.864 10 0 FCAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CCNS(C)(=O)=O)cc2)n1 ZINC000523419275 490463574 /nfs/dbraw/zinc/46/35/74/490463574.db2.gz GBLSREZZMRYTAR-UHFFFAOYSA-N -1 3 350.400 0.623 10 0 FCAEHM COc1ccc(Br)c(CNC(=O)CN2CC(=O)[N-]C2=O)c1 ZINC000523580598 490476299 /nfs/dbraw/zinc/47/62/99/490476299.db2.gz XLSDSGOLYPWAQJ-UHFFFAOYSA-N -1 3 356.176 0.626 10 0 FCAEHM CC1(C[N-]S(=O)(=O)c2ccccc2S(=O)(=O)N2CCCC2)COC1 ZINC000548448235 490487319 /nfs/dbraw/zinc/48/73/19/490487319.db2.gz MSVFQAKGACDFJS-UHFFFAOYSA-N -1 3 374.484 0.786 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000535725553 490517835 /nfs/dbraw/zinc/51/78/35/490517835.db2.gz FYPHCZZDRIXZSN-JSGCOSHPSA-N -1 3 358.398 0.253 10 0 FCAEHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C1CCOCC1 ZINC000548620700 490518413 /nfs/dbraw/zinc/51/84/13/490518413.db2.gz RILMFXBFYUSKOK-UHFFFAOYSA-N -1 3 362.473 0.784 10 0 FCAEHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000510471148 490520540 /nfs/dbraw/zinc/52/05/40/490520540.db2.gz GFQHROTVSIIDLN-QMMMGPOBSA-N -1 3 367.470 0.779 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@@H](CO)Cc1ccco1 ZINC000535906338 490540985 /nfs/dbraw/zinc/54/09/85/490540985.db2.gz NOHAKMVDYMWXEI-LBPRGKRZSA-N -1 3 373.452 0.813 10 0 FCAEHM COc1ccc2c(c1)[n-]cc(C(=O)N1CC[C@@H](S(N)(=O)=O)C1)c2=O ZINC000535984745 490544472 /nfs/dbraw/zinc/54/44/72/490544472.db2.gz MHLYXHOPAAIOQX-SNVBAGLBSA-N -1 3 351.384 0.040 10 0 FCAEHM CN(C)c1nc(C(=O)N2CCC(OC[C@H]3CCOC3)CC2)cc(=O)[n-]1 ZINC000549668498 490592929 /nfs/dbraw/zinc/59/29/29/490592929.db2.gz XUVUBUFGRCRCHM-LBPRGKRZSA-N -1 3 350.419 0.906 10 0 FCAEHM CN(C)c1nc(C(=O)N2CCC(OC[C@@H]3CCOC3)CC2)cc(=O)[n-]1 ZINC000549668497 490592995 /nfs/dbraw/zinc/59/29/95/490592995.db2.gz XUVUBUFGRCRCHM-GFCCVEGCSA-N -1 3 350.419 0.906 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)CCn2nnc3ccccc3c2=O)nc1=N ZINC000549727403 490597041 /nfs/dbraw/zinc/59/70/41/490597041.db2.gz XXHOWEYTTMAMEF-ZDUSSCGKSA-N -1 3 368.401 0.086 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N(C)CCc2ccc(F)cc2)cn1C ZINC000511619611 490609030 /nfs/dbraw/zinc/60/90/30/490609030.db2.gz BAYMWNCLOXBXGO-UHFFFAOYSA-N -1 3 368.434 0.847 10 0 FCAEHM CCNC(=O)C1CN(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C)c2)C1 ZINC000486342930 490611912 /nfs/dbraw/zinc/61/19/12/490611912.db2.gz IGBUGFGGQWLMIO-UHFFFAOYSA-N -1 3 358.395 0.334 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)ccc1F ZINC000486406930 490619442 /nfs/dbraw/zinc/61/94/42/490619442.db2.gz OJAZLKYLXKYNLT-ZJUUUORDSA-N -1 3 372.422 0.852 10 0 FCAEHM CC(C)CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000536910832 490622210 /nfs/dbraw/zinc/62/22/10/490622210.db2.gz QYNQBHRNKNLURJ-SRVKXCTJSA-N -1 3 370.475 0.427 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)CNC(=O)c2cc3ccccc3[nH]2)nc1=N ZINC000550111204 490625991 /nfs/dbraw/zinc/62/59/91/490625991.db2.gz DYZUREAASAOANU-AWEZNQCLSA-N -1 3 367.413 0.802 10 0 FCAEHM O=C(NCCN1CCN(C(=O)C2CCC2)CC1)c1cccc2nn[n-]c21 ZINC000525866032 490643236 /nfs/dbraw/zinc/64/32/36/490643236.db2.gz FLNHJCXIZRQSRH-UHFFFAOYSA-N -1 3 356.430 0.632 10 0 FCAEHM O=C(NCCN1CCN(C(=O)C2CCC2)CC1)c1cccc2[n-]nnc21 ZINC000525866032 490643240 /nfs/dbraw/zinc/64/32/40/490643240.db2.gz FLNHJCXIZRQSRH-UHFFFAOYSA-N -1 3 356.430 0.632 10 0 FCAEHM O=C(NCCN1CCN(C(=O)C2CCC2)CC1)c1cccc2n[n-]nc21 ZINC000525866032 490643242 /nfs/dbraw/zinc/64/32/42/490643242.db2.gz FLNHJCXIZRQSRH-UHFFFAOYSA-N -1 3 356.430 0.632 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCc1nc2cc(Br)ccc2o1 ZINC000556902926 491343127 /nfs/dbraw/zinc/34/31/27/491343127.db2.gz WZBLMRSJINAIKF-QMMMGPOBSA-N -1 3 367.159 0.805 10 0 FCAEHM C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000564985022 491343243 /nfs/dbraw/zinc/34/32/43/491343243.db2.gz DHFRAPRQUPBAID-CBBWQLFWSA-N -1 3 353.463 0.792 10 0 FCAEHM C[C@H]1CN(C(=O)c2cc(C3CC3)nc3c2c(=O)[n-]c(=O)n3C)CCC1=O ZINC000526010894 490665018 /nfs/dbraw/zinc/66/50/18/490665018.db2.gz CRECENLJEFLASE-VIFPVBQESA-N -1 3 356.382 0.963 10 0 FCAEHM CN(CCNC(=O)NCc1ncccc1[O-])S(=O)(=O)c1cccs1 ZINC000526859813 490683764 /nfs/dbraw/zinc/68/37/64/490683764.db2.gz SUCQQKXKKQASRW-UHFFFAOYSA-N -1 3 370.456 0.969 10 0 FCAEHM Cc1ccn(-c2ccccc2NC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)n1 ZINC000537612125 490685603 /nfs/dbraw/zinc/68/56/03/490685603.db2.gz JMZISKYTGWLVBU-CQSZACIVSA-N -1 3 354.370 0.949 10 0 FCAEHM O=C(NCCCN1CCCC1=O)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000537699653 490689280 /nfs/dbraw/zinc/68/92/80/490689280.db2.gz WVCKRHQSFYFNSE-AWEZNQCLSA-N -1 3 373.413 0.571 10 0 FCAEHM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000526999878 490690919 /nfs/dbraw/zinc/69/09/19/490690919.db2.gz CBUKPNPDBTXSPM-GFCCVEGCSA-N -1 3 373.331 0.878 10 0 FCAEHM C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)C[N-]S(=O)(=O)c2ccccc2F)CC1=O ZINC000572084657 491347701 /nfs/dbraw/zinc/34/77/01/491347701.db2.gz WQGUZIYEPJKALM-NTZNESFSSA-N -1 3 369.418 0.230 10 0 FCAEHM COC(=O)CCCCNC(=O)N1CCC[C@H]1C[C@]1(C)NC(=O)[N-]C1=O ZINC000487245783 490701796 /nfs/dbraw/zinc/70/17/96/490701796.db2.gz YQXHQKSQYOSTFY-ZBEGNZNMSA-N -1 3 354.407 0.492 10 0 FCAEHM CCOC(=O)[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccc(C)c1F ZINC000487343642 490706344 /nfs/dbraw/zinc/70/63/44/490706344.db2.gz VKYXWRDFFMQALZ-QWRGUYRKSA-N -1 3 360.407 0.869 10 0 FCAEHM O=C(NCc1ncccc1[O-])c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 ZINC000527192099 490706949 /nfs/dbraw/zinc/70/69/49/490706949.db2.gz RPDAHIKAKZHWDG-UHFFFAOYSA-N -1 3 353.338 0.863 10 0 FCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000487345643 490707199 /nfs/dbraw/zinc/70/71/99/490707199.db2.gz YXIFMTBZUMCHNZ-RKDXNWHRSA-N -1 3 364.370 0.699 10 0 FCAEHM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000487378672 490709178 /nfs/dbraw/zinc/70/91/78/490709178.db2.gz QFSFEALLZOLMQW-MNOVXSKESA-N -1 3 360.407 0.869 10 0 FCAEHM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000487372974 490709531 /nfs/dbraw/zinc/70/95/31/490709531.db2.gz HNIUEBJQWGLKLP-NEPJUHHUSA-N -1 3 374.463 0.274 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)[C@@H](C)[C@H](C)O1 ZINC000527327359 490717321 /nfs/dbraw/zinc/71/73/21/490717321.db2.gz VCCKVYYJQOJWAA-UTLUCORTSA-N -1 3 368.415 0.221 10 0 FCAEHM CC(=O)NCCN(Cc1ccc(C)s1)C(=O)CN1CC(=O)[N-]C1=O ZINC000513319219 490722132 /nfs/dbraw/zinc/72/21/32/490722132.db2.gz NPQZPGBHNXDKOT-UHFFFAOYSA-N -1 3 352.416 0.073 10 0 FCAEHM COc1cc(N2CCN(C(=O)c3cc(F)cc4[n-]nnc43)CC2)ncn1 ZINC000502833768 490723971 /nfs/dbraw/zinc/72/39/71/490723971.db2.gz VAQUSYNCROUUCB-UHFFFAOYSA-N -1 3 357.349 0.858 10 0 FCAEHM COc1cc(N2CCN(C(=O)c3cc(F)cc4nn[n-]c43)CC2)ncn1 ZINC000502833768 490723974 /nfs/dbraw/zinc/72/39/74/490723974.db2.gz VAQUSYNCROUUCB-UHFFFAOYSA-N -1 3 357.349 0.858 10 0 FCAEHM COc1cc(N2CCN(C(=O)c3cc(F)cc4n[n-]nc43)CC2)ncn1 ZINC000502833768 490723976 /nfs/dbraw/zinc/72/39/76/490723976.db2.gz VAQUSYNCROUUCB-UHFFFAOYSA-N -1 3 357.349 0.858 10 0 FCAEHM O=C(c1ccccc1)N1C[C@H](CN=c2ncnc3[nH][n-]cc2-3)N2CC[C@H]1C2 ZINC000538293139 490725091 /nfs/dbraw/zinc/72/50/91/490725091.db2.gz GONCOKFMEAEQKI-GJZGRUSLSA-N -1 3 363.425 0.737 10 0 FCAEHM CCCc1ccc([C@H](C)N(CC(N)=O)C(=O)C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000539113461 490763637 /nfs/dbraw/zinc/76/36/37/490763637.db2.gz VRKLHNBJRLQGOH-FZMZJTMJSA-N -1 3 360.414 0.612 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N2CC(CCO)C2)CCCC1 ZINC000539418878 490783139 /nfs/dbraw/zinc/78/31/39/490783139.db2.gz CDTUOCAUAXCWPY-UHFFFAOYSA-N -1 3 371.459 0.723 10 0 FCAEHM CO[C@@H](CS(=O)(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1)c1ccc(F)cc1 ZINC000528367134 490790850 /nfs/dbraw/zinc/79/08/50/490790850.db2.gz RNWGFWZTZQTPBC-OLZOCXBDSA-N -1 3 371.390 0.079 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@@]1(CO)COCC2(CCC2)N1C ZINC000528481437 490802022 /nfs/dbraw/zinc/80/20/22/490802022.db2.gz PNXNBOGESBQBDM-OAHLLOKOSA-N -1 3 359.448 0.186 10 0 FCAEHM COCCOc1ccc(F)cc1S(=O)(=O)[N-]C[C@@H](O)[C@@H]1CCCO1 ZINC000528486923 490802931 /nfs/dbraw/zinc/80/29/31/490802931.db2.gz LEYKJHYZYOYMKB-OLZOCXBDSA-N -1 3 363.407 0.669 10 0 FCAEHM O=C1CCc2cc(S(=O)(=O)[N-]C[C@H](O)[C@@H]3CCCO3)c(F)cc2N1 ZINC000528495393 490803526 /nfs/dbraw/zinc/80/35/26/490803526.db2.gz ZFDRMPBRBRUJPH-STQMWFEESA-N -1 3 358.391 0.529 10 0 FCAEHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](O)[C@H]2CCCO2)cc1F ZINC000528494798 490803626 /nfs/dbraw/zinc/80/36/26/490803626.db2.gz XTFVIFGHWMDBKY-VXGBXAGGSA-N -1 3 367.420 0.047 10 0 FCAEHM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000505116494 490820640 /nfs/dbraw/zinc/82/06/40/490820640.db2.gz BMGGXJWUNQOZOH-SFYZADRCSA-N -1 3 351.338 0.283 10 0 FCAEHM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000505116494 490820642 /nfs/dbraw/zinc/82/06/42/490820642.db2.gz BMGGXJWUNQOZOH-SFYZADRCSA-N -1 3 351.338 0.283 10 0 FCAEHM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000505116494 490820645 /nfs/dbraw/zinc/82/06/45/490820645.db2.gz BMGGXJWUNQOZOH-SFYZADRCSA-N -1 3 351.338 0.283 10 0 FCAEHM COc1ccc2c(c1)[n-]cc(C(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1)c2=O ZINC000540473220 490824818 /nfs/dbraw/zinc/82/48/18/490824818.db2.gz XGSABTSHVKLSBT-LRDDRELGSA-N -1 3 373.409 0.902 10 0 FCAEHM COCC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl)C(N)=O ZINC000540484273 490825558 /nfs/dbraw/zinc/82/55/58/490825558.db2.gz CSQTUOAROYWAJN-JTQLQIEISA-N -1 3 364.807 0.295 10 0 FCAEHM CCC(=O)c1ccc(OCC(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000515456345 490826843 /nfs/dbraw/zinc/82/68/43/490826843.db2.gz BJELKLDUCCYFML-SFHVURJKSA-N -1 3 359.382 0.859 10 0 FCAEHM COCCN(C(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)[C@@H]1CCOC1 ZINC000515580775 490832484 /nfs/dbraw/zinc/83/24/84/490832484.db2.gz VUWGUCFRKZBIQG-KDOFPFPSSA-N -1 3 361.398 0.619 10 0 FCAEHM CCC[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000528980907 490835122 /nfs/dbraw/zinc/83/51/22/490835122.db2.gz HZANQMKDFKJIRC-HUUCEWRRSA-N -1 3 367.471 0.466 10 0 FCAEHM COC[C@@](C)(CCO)NC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000540899757 490838945 /nfs/dbraw/zinc/83/89/45/490838945.db2.gz CMMXOCMJMHGCTN-CYBMUJFWSA-N -1 3 350.462 0.320 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)NC[C@@H](O)[C@@H]2CCCO2)ccc1F ZINC000529093408 490840375 /nfs/dbraw/zinc/84/03/75/490840375.db2.gz NFGFVSCWQJBHLT-NEPJUHHUSA-N -1 3 361.395 0.395 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CCN2C(=O)CC[C@H]2C1 ZINC000540960103 490842554 /nfs/dbraw/zinc/84/25/54/490842554.db2.gz RKVKKWFVRXIPPW-DZGCQCFKSA-N -1 3 357.410 0.830 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-][C@@H]2CCCN(Cc3ccccn3)C2=O)c1 ZINC000541309707 490857798 /nfs/dbraw/zinc/85/77/98/490857798.db2.gz LZCMPVCQQODTKO-CQSZACIVSA-N -1 3 363.443 0.768 10 0 FCAEHM CCc1c(C(=O)Nc2nc(C)ccc2[O-])cnc2c1c(=O)n(C)c(=O)n2C ZINC000541515038 490864606 /nfs/dbraw/zinc/86/46/06/490864606.db2.gz QKBIYZMENMDWOH-UHFFFAOYSA-N -1 3 369.381 0.856 10 0 FCAEHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC000529725098 490867057 /nfs/dbraw/zinc/86/70/57/490867057.db2.gz QCWOHHPWIFSDSL-UHFFFAOYSA-N -1 3 361.423 0.778 10 0 FCAEHM CC[C@@H]([N-]S(=O)(=O)CCC(C)(C)S(C)(=O)=O)[C@H](O)C(F)F ZINC000565233959 491362590 /nfs/dbraw/zinc/36/25/90/491362590.db2.gz BCHFTAWJYJGBNN-BDAKNGLRSA-N -1 3 351.437 0.524 10 0 FCAEHM CC(C)n1ncnc1C[N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000572330953 491363243 /nfs/dbraw/zinc/36/32/43/491363243.db2.gz PMJCKWMGSAALJL-UHFFFAOYSA-N -1 3 358.445 0.741 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NCc1ccc(Br)c(F)c1F ZINC000529876021 490879686 /nfs/dbraw/zinc/87/96/86/490879686.db2.gz FGHOTRZJOQJCBX-UHFFFAOYSA-N -1 3 362.130 0.895 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)NCCc2ccc(OC)nc2)cn1 ZINC000529886974 490880116 /nfs/dbraw/zinc/88/01/16/490880116.db2.gz VMGCUAJGWTUXCT-UHFFFAOYSA-N -1 3 350.400 0.366 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]c1cccc(C(=O)NCCC(N)=O)c1)C1CC1 ZINC000516867128 490881860 /nfs/dbraw/zinc/88/18/60/490881860.db2.gz KGRSMOSQXRQREM-CQSZACIVSA-N -1 3 369.443 0.459 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2c(C(=O)NCCCn3ccnn3)cc(C3CC3)nc21 ZINC000542424666 490896668 /nfs/dbraw/zinc/89/66/68/490896668.db2.gz QZUDPDZNDYPNSE-UHFFFAOYSA-N -1 3 369.385 0.323 10 0 FCAEHM CNC(=O)NC[C@@H]1CN(C(=O)c2c[n-]c3c(C)cccc3c2=O)CCO1 ZINC000530272721 490896697 /nfs/dbraw/zinc/89/66/97/490896697.db2.gz ICJFAYUOOVKTTK-GFCCVEGCSA-N -1 3 358.398 0.607 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H](C(N)=O)C2)c(F)c1 ZINC000530431207 490905547 /nfs/dbraw/zinc/90/55/47/490905547.db2.gz WVJKOUJKORIWDC-ONGXEEELSA-N -1 3 358.391 0.935 10 0 FCAEHM CCNC(=O)N1CC[C@H]([N-]S(=O)(=O)c2ccc(C(=O)OC)cc2F)C1 ZINC000530484012 490908726 /nfs/dbraw/zinc/90/87/26/490908726.db2.gz UTUYWZYBPHZNGI-NSHDSACASA-N -1 3 373.406 0.694 10 0 FCAEHM Cn1c(=O)c2cc(C(=O)[N-]c3ncn(C(C)(C)C)n3)cnc2n(C)c1=O ZINC000543171951 490924154 /nfs/dbraw/zinc/92/41/54/490924154.db2.gz GUDWHGFLUPKBAU-UHFFFAOYSA-N -1 3 357.374 0.231 10 0 FCAEHM O=S(=O)(C[C@@H](O)C[N-]S(=O)(=O)c1cscn1)c1cccs1 ZINC000518176502 490932120 /nfs/dbraw/zinc/93/21/20/490932120.db2.gz VPWNPNDIRBVCII-QMMMGPOBSA-N -1 3 368.483 0.318 10 0 FCAEHM Cc1cccc(N2CCN(CCCNC(=O)CN3CC(=O)[N-]C3=O)CC2)c1 ZINC000518882103 490954502 /nfs/dbraw/zinc/95/45/02/490954502.db2.gz CYDAVWGHCHCKJB-UHFFFAOYSA-N -1 3 373.457 0.175 10 0 FCAEHM COc1cc2nc(NC(=O)CN3CC(=O)[N-]C3=O)sc2cc1OC ZINC000518970477 490957514 /nfs/dbraw/zinc/95/75/14/490957514.db2.gz GYSVORTUJUSBNA-UHFFFAOYSA-N -1 3 350.356 0.804 10 0 FCAEHM CN1CCN(c2cccc(C(=O)N3CCc4c(nc[n-]c4=O)C3)n2)CC1 ZINC000565269723 491367003 /nfs/dbraw/zinc/36/70/03/491367003.db2.gz IUEKMTOSASXVTC-UHFFFAOYSA-N -1 3 354.414 0.528 10 0 FCAEHM COC(=O)[C@@H](C[N-]S(=O)(=O)c1cn(C)cn1)Cc1cccc(F)c1 ZINC000519282932 490967553 /nfs/dbraw/zinc/96/75/53/490967553.db2.gz YUTIKOMBFGVVLQ-GFCCVEGCSA-N -1 3 355.391 0.869 10 0 FCAEHM C[C@@H](C[N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C)CN1CCN(C)CC1 ZINC000519528463 490974265 /nfs/dbraw/zinc/97/42/65/490974265.db2.gz PAAGNLZFSFUZSD-LSDHHAIUSA-N -1 3 369.535 0.942 10 0 FCAEHM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)no1 ZINC000532420115 490992736 /nfs/dbraw/zinc/99/27/36/490992736.db2.gz QYKHBHJLPPYKPY-UHFFFAOYSA-N -1 3 371.440 0.921 10 0 FCAEHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)CC2(C(=O)OC)CC2)[C@@H]1n1cccn1 ZINC000601422958 491917133 /nfs/dbraw/zinc/91/71/33/491917133.db2.gz CGRBUTYQMVRVHL-UPJWGTAASA-N -1 3 357.432 0.474 10 0 FCAEHM CCS(=O)(=O)C1(C[N-]S(=O)(=O)c2cc(C(=O)OC)oc2C)CC1 ZINC000595365033 491924628 /nfs/dbraw/zinc/92/46/28/491924628.db2.gz TWWXNSGGDQMSHJ-UHFFFAOYSA-N -1 3 365.429 0.620 10 0 FCAEHM O=C(c1cn(-c2ccc(Cl)cc2)nn1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000562499964 491170487 /nfs/dbraw/zinc/17/04/87/491170487.db2.gz PUEPBTAOBWDQCV-INIZCTEOSA-N -1 3 374.788 0.735 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)c2ccc(-n3cnnn3)cc2Cl)nc1=N ZINC000572489163 491373492 /nfs/dbraw/zinc/37/34/92/491373492.db2.gz GTYVQWNJVMWYQJ-LBPRGKRZSA-N -1 3 373.808 0.834 10 0 FCAEHM COCCN1CCC[C@H]1C[N-]S(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000557813098 491399024 /nfs/dbraw/zinc/39/90/24/491399024.db2.gz PTXWAQRBYUSBDJ-NSHDSACASA-N -1 3 362.477 0.491 10 0 FCAEHM CCC[C@H](C)[C@H](CO)NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000573010260 491407129 /nfs/dbraw/zinc/40/71/29/491407129.db2.gz TVHZGYNLLBZZLW-WPRPVWTQSA-N -1 3 362.224 0.625 10 0 FCAEHM CN(C[C@H]1CCCN1C)C(=O)C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000566235640 491428307 /nfs/dbraw/zinc/42/83/07/491428307.db2.gz ZVIPAQWLJUXIMY-ZACQAIPSSA-N -1 3 373.453 0.866 10 0 FCAEHM CC(=O)N1CC[C@H](CNC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)C1 ZINC000558413040 491429556 /nfs/dbraw/zinc/42/95/56/491429556.db2.gz ZKRORTMGKVCVHF-CYBMUJFWSA-N -1 3 358.398 0.477 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2c(C(=O)NC[C@H]3CCC[C@@H]3O)cc(C3CC3)nc21 ZINC000573540162 491439300 /nfs/dbraw/zinc/43/93/00/491439300.db2.gz VQCFQAVRDNMGRA-MFKMUULPSA-N -1 3 358.398 0.802 10 0 FCAEHM COc1ccccc1[C@H]1[C@@H](N)CCCN1C(=O)c1cnc([O-])n(C)c1=O ZINC000573564428 491440731 /nfs/dbraw/zinc/44/07/31/491440731.db2.gz PTLDPYKKKVXTSX-ZFWWWQNUSA-N -1 3 358.398 0.799 10 0 FCAEHM O=S(=O)([N-]CC(F)F)c1cccc(S(=O)(=O)NCC2CC2)c1 ZINC000566487729 491447276 /nfs/dbraw/zinc/44/72/76/491447276.db2.gz FBLAHRKWDWAKQI-UHFFFAOYSA-N -1 3 354.400 0.918 10 0 FCAEHM CCCS(=O)(=O)N1CCC(NC(=O)c2cc(=O)[n-]c(N(C)C)n2)CC1 ZINC000558979798 491450569 /nfs/dbraw/zinc/45/05/69/491450569.db2.gz VJGSRTQWPMXTEI-UHFFFAOYSA-N -1 3 371.463 0.182 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCNC[C@@](C)(F)C1 ZINC000566800504 491467745 /nfs/dbraw/zinc/46/77/45/491467745.db2.gz ZJVQQQCIEBWQJJ-GOSISDBHSA-N -1 3 359.405 0.843 10 0 FCAEHM CC[C@H](C)C[C@@H]([N-]S(=O)(=O)N1CCC(C(=O)OC)CC1)C(=O)OC ZINC000574806373 491521003 /nfs/dbraw/zinc/52/10/03/491521003.db2.gz FIKMZXZJRKYKEK-WCQYABFASA-N -1 3 364.464 0.684 10 0 FCAEHM NC(=O)[C@H]1CC[C@@H](CNC(=O)Cc2ccc(Br)cc2[O-])O1 ZINC000560286413 491527928 /nfs/dbraw/zinc/52/79/28/491527928.db2.gz LENBZBYMNUBGMP-CMPLNLGQSA-N -1 3 357.204 0.846 10 0 FCAEHM CC(C)n1ncc2c1C[C@@H](NC(=O)N1CCN3C(=O)[N-]C(=O)[C@@H]3C1)CC2 ZINC000574951593 491529851 /nfs/dbraw/zinc/52/98/51/491529851.db2.gz KPQQIAGUTPWVOS-JSGCOSHPSA-N -1 3 360.418 0.267 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCc2cnc3c(Cl)cnn3c2)cn1C ZINC000560317048 491530981 /nfs/dbraw/zinc/53/09/81/491530981.db2.gz RXMDPAWRUYWEOU-UHFFFAOYSA-N -1 3 354.823 0.946 10 0 FCAEHM NC(=O)NCC(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000575030946 491534916 /nfs/dbraw/zinc/53/49/16/491534916.db2.gz DYEUFQURVXIGHC-UHFFFAOYSA-N -1 3 354.310 0.134 10 0 FCAEHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]c3ccc(=O)n(CC(N)=O)c3)cn21 ZINC000567998330 491546049 /nfs/dbraw/zinc/54/60/49/491546049.db2.gz KXUYIZZMMMTCHI-SNVBAGLBSA-N -1 3 365.415 0.228 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CC(c3ccc(Cl)cc3)C2)c1 ZINC000568216307 491560434 /nfs/dbraw/zinc/56/04/34/491560434.db2.gz WHDVXXBSPVRVTN-UHFFFAOYSA-N -1 3 368.846 0.978 10 0 FCAEHM CN(C)c1nc(C(=O)N2CCC(c3nnc4n3CCC4)CC2)cc(=O)[n-]1 ZINC000683404965 493350544 /nfs/dbraw/zinc/35/05/44/493350544.db2.gz FRIWQAGOSHFMMG-UHFFFAOYSA-N -1 3 357.418 0.806 10 0 FCAEHM CCN1CCN(CC(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C)c2)CC1 ZINC000561001839 491569357 /nfs/dbraw/zinc/56/93/57/491569357.db2.gz DVRRJENPWLLUGI-UHFFFAOYSA-N -1 3 358.439 0.310 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1ccc(F)cc1OC1CCOCC1 ZINC000561132138 491577379 /nfs/dbraw/zinc/57/73/79/491577379.db2.gz XKLSRILJVJGSAQ-LBPRGKRZSA-N -1 3 351.334 0.920 10 0 FCAEHM C[C@@H]1CCN(CC(=O)NCCCN2CCCCCC2=O)C[C@H]1C(=O)[O-] ZINC000576107480 491582076 /nfs/dbraw/zinc/58/20/76/491582076.db2.gz QORLCLDFRCYBIL-HUUCEWRRSA-N -1 3 353.463 0.938 10 0 FCAEHM CC[C@@H]([N-]S(=O)(=O)Cc1ccc(C(=O)NC)cc1)[C@H](O)C(F)F ZINC000577192044 491600693 /nfs/dbraw/zinc/60/06/93/491600693.db2.gz GRMGXBOFFNGVFA-NEPJUHHUSA-N -1 3 350.387 0.870 10 0 FCAEHM CN(CCC(N)=O)C(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000561393351 491604588 /nfs/dbraw/zinc/60/45/88/491604588.db2.gz HDOWDWMQOUEBRJ-UHFFFAOYSA-N -1 3 371.440 0.767 10 0 FCAEHM C[C@@H]1CN(c2cccc3cnccc32)CCN1C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000576454776 491616411 /nfs/dbraw/zinc/61/64/11/491616411.db2.gz IUCDQYFDNYYVNX-DOMZBBRYSA-N -1 3 367.409 0.870 10 0 FCAEHM O=C(NC[C@@H]1CSc2ccccc2O1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000568980300 491623980 /nfs/dbraw/zinc/62/39/80/491623980.db2.gz GONDLTXCEDEKDA-MNOVXSKESA-N -1 3 362.411 0.485 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC000569030084 491629119 /nfs/dbraw/zinc/62/91/19/491629119.db2.gz FNXHAXNZZOLNDW-AWEZNQCLSA-N -1 3 353.382 0.482 10 0 FCAEHM C[C@@H](NC(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1)C(C)(C)O ZINC000673687724 493358660 /nfs/dbraw/zinc/35/86/60/493358660.db2.gz WTISFCQFXFAHHM-SECBINFHSA-N -1 3 350.387 0.909 10 0 FCAEHM CCS(=O)(=O)N1CCC(C[N-]S(=O)(=O)c2cscn2)CC1 ZINC000576983532 491662203 /nfs/dbraw/zinc/66/22/03/491662203.db2.gz VDSKXHOMIMGNGN-UHFFFAOYSA-N -1 3 353.491 0.483 10 0 FCAEHM Cn1ccc(NC(=O)C[N-]S(=O)(=O)Cc2cc(Cl)ccc2F)n1 ZINC000578359910 491675674 /nfs/dbraw/zinc/67/56/74/491675674.db2.gz IGKGPFVFNQDQEL-UHFFFAOYSA-N -1 3 360.798 1.271 10 0 FCAEHM Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCC[C@H]2c2nc(=N)n(C)[n-]2)[nH]n1 ZINC000578670310 491682224 /nfs/dbraw/zinc/68/22/24/491682224.db2.gz RTPVQPBECDMTIG-ZDUSSCGKSA-N -1 3 369.433 0.945 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)nc1=N ZINC000579646637 491702232 /nfs/dbraw/zinc/70/22/32/491702232.db2.gz RTMUPXJROQVVRA-UTUOFQBUSA-N -1 3 360.418 0.066 10 0 FCAEHM Cn1ccc2ccc(NC(=O)C(=O)NCc3ncccc3[O-])cc2c1=O ZINC000584734829 491712391 /nfs/dbraw/zinc/71/23/91/491712391.db2.gz DSKOOZYMRQIGGZ-UHFFFAOYSA-N -1 3 352.350 0.894 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@@H]1CCCS(=O)(=O)C1 ZINC000584749274 491712590 /nfs/dbraw/zinc/71/25/90/491712590.db2.gz SGZSRSVWVTYVJQ-SNVBAGLBSA-N -1 3 365.429 0.539 10 0 FCAEHM CC[C@@H]([N-]S(=O)(=O)Cc1cccc(S(C)(=O)=O)c1)[C@@H](O)C(F)F ZINC000580096811 491717376 /nfs/dbraw/zinc/71/73/76/491717376.db2.gz QDIKIGMFRCYPFV-VXGBXAGGSA-N -1 3 371.427 0.914 10 0 FCAEHM C[C@]1(c2ccc(C(=O)NCc3cccc(CO)n3)cc2)NC(=O)[N-]C1=O ZINC000584866904 491717941 /nfs/dbraw/zinc/71/79/41/491717941.db2.gz XCUQMDSFWIJIMQ-GOSISDBHSA-N -1 3 354.366 0.559 10 0 FCAEHM CC(C)n1ncnc1CNC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000580410493 491729951 /nfs/dbraw/zinc/72/99/51/491729951.db2.gz PHKSBBULZHKJJC-UHFFFAOYSA-N -1 3 371.195 0.200 10 0 FCAEHM CNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)c1 ZINC000580778868 491745309 /nfs/dbraw/zinc/74/53/09/491745309.db2.gz RNCNGZJZXJMSBJ-GFCCVEGCSA-N -1 3 364.431 0.113 10 0 FCAEHM CNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2nc(=N)n(C)[n-]2)c1 ZINC000580778871 491745464 /nfs/dbraw/zinc/74/54/64/491745464.db2.gz RNCNGZJZXJMSBJ-LBPRGKRZSA-N -1 3 364.431 0.113 10 0 FCAEHM Cc1noc(CN2CCN(C(=O)CNC(=O)c3ccc([O-])cc3)CC2)n1 ZINC000589694304 491765237 /nfs/dbraw/zinc/76/52/37/491765237.db2.gz IKEUNORCDKCJJJ-UHFFFAOYSA-N -1 3 359.386 0.158 10 0 FCAEHM C[C@@H](O)CCNC(=O)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000581341283 491769320 /nfs/dbraw/zinc/76/93/20/491769320.db2.gz LILFHIWMEGLIKZ-SECBINFHSA-N -1 3 354.350 0.871 10 0 FCAEHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H]2CCNC(=O)CC2)c1 ZINC000591332338 491802814 /nfs/dbraw/zinc/80/28/14/491802814.db2.gz GRDWHRVGEXTINP-LBPRGKRZSA-N -1 3 358.391 0.949 10 0 FCAEHM NC(=O)[C@@H](CNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)Cc1ccc(F)cc1 ZINC000591444309 491805991 /nfs/dbraw/zinc/80/59/91/491805991.db2.gz YYJQCBFAYYWWRO-GFCCVEGCSA-N -1 3 369.352 0.783 10 0 FCAEHM C[C@@]1(c2ccc(CNC(=O)N3CCN(C4CC4)CC3)cc2)NC(=O)[N-]C1=O ZINC000591586106 491809610 /nfs/dbraw/zinc/80/96/10/491809610.db2.gz FUHOYTUJNGVYHP-IBGZPJMESA-N -1 3 371.441 0.731 10 0 FCAEHM COC(=O)Cc1n[n-]c(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000583406012 491844178 /nfs/dbraw/zinc/84/41/78/491844178.db2.gz KSMMBUPMDYVBKX-UHFFFAOYSA-N -1 3 372.790 0.586 10 0 FCAEHM COC(=O)Cc1nnc(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)[n-]1 ZINC000583406012 491844179 /nfs/dbraw/zinc/84/41/79/491844179.db2.gz KSMMBUPMDYVBKX-UHFFFAOYSA-N -1 3 372.790 0.586 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)n[n-]1 ZINC000583406012 491844180 /nfs/dbraw/zinc/84/41/80/491844180.db2.gz KSMMBUPMDYVBKX-UHFFFAOYSA-N -1 3 372.790 0.586 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CO)c2ccnn2C)cc1F ZINC000583642067 491849317 /nfs/dbraw/zinc/84/93/17/491849317.db2.gz NIVYVEJIBIAKKA-LBPRGKRZSA-N -1 3 357.363 0.358 10 0 FCAEHM CN(C)[C@@H]1CCCN(C(=O)C(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)C1 ZINC000583934855 491854994 /nfs/dbraw/zinc/85/49/94/491854994.db2.gz YNOQVHYAYHUVOR-ZACQAIPSSA-N -1 3 373.453 0.866 10 0 FCAEHM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N1CCNC[C@@H]1C(F)F ZINC000583995255 491856190 /nfs/dbraw/zinc/85/61/90/491856190.db2.gz AXFIHSRQIZLCMD-LLVKDONJSA-N -1 3 364.356 0.556 10 0 FCAEHM Cn1ccc(NC(=O)C[N-]S(=O)(=O)CCc2cccc(Cl)c2)n1 ZINC000584194633 491860509 /nfs/dbraw/zinc/86/05/09/491860509.db2.gz RDABHUTVMOQUPZ-UHFFFAOYSA-N -1 3 356.835 1.174 10 0 FCAEHM COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@@H](CO)c1ccnn1C ZINC000584242627 491861477 /nfs/dbraw/zinc/86/14/77/491861477.db2.gz AOGNJXBLXWQALN-LBPRGKRZSA-N -1 3 373.406 0.596 10 0 FCAEHM C[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)C[C@H]1C(=O)[O-] ZINC000584291421 491862388 /nfs/dbraw/zinc/86/23/88/491862388.db2.gz PIZWHFGFUSMYLH-RBSFLKMASA-N -1 3 369.462 0.125 10 0 FCAEHM COc1cccc(OC(F)(F)F)c1C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000611956665 491885540 /nfs/dbraw/zinc/88/55/40/491885540.db2.gz QMOZTSRYOIFOLQ-QMMMGPOBSA-N -1 3 373.287 0.970 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H](C)S(=O)(=O)C2)s1 ZINC000594847339 491866086 /nfs/dbraw/zinc/86/60/86/491866086.db2.gz DGSPYEFGMAYRDG-RKDXNWHRSA-N -1 3 367.470 0.779 10 0 FCAEHM COC(=O)c1ncccc1S(=O)(=O)[N-][C@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000594849004 491866666 /nfs/dbraw/zinc/86/66/66/491866666.db2.gz IJVRVZVBFIUZCC-UWVGGRQHSA-N -1 3 362.429 0.112 10 0 FCAEHM COC(=O)[C@@](C)(CCF)[N-]S(=O)(=O)CCC(C)(C)S(C)(=O)=O ZINC000594865184 491868077 /nfs/dbraw/zinc/86/80/77/491868077.db2.gz JDYWFPQQQHFFOX-GFCCVEGCSA-N -1 3 361.457 0.410 10 0 FCAEHM COC(=O)CCN1CCC[C@H](Sc2nc3c(cnn3C)c(=O)[n-]2)C1=O ZINC000600582868 491869067 /nfs/dbraw/zinc/86/90/67/491869067.db2.gz BNYKJADXHZYGAC-JTQLQIEISA-N -1 3 365.415 0.715 10 0 FCAEHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCC[C@](CO)(OC)C1 ZINC000595125841 491886228 /nfs/dbraw/zinc/88/62/28/491886228.db2.gz UJPNKAORXANNCX-HNNXBMFYSA-N -1 3 356.400 0.473 10 0 FCAEHM CNC(=O)[C@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000600763539 491881303 /nfs/dbraw/zinc/88/13/03/491881303.db2.gz OJBGGKVCEHSLRD-GFCCVEGCSA-N -1 3 357.407 0.149 10 0 FCAEHM Cn1ccc(Nc2ccc(C(=O)N3CCN4C(=O)[N-]C(=O)[C@H]4C3)cc2)n1 ZINC000611954487 491885005 /nfs/dbraw/zinc/88/50/05/491885005.db2.gz CCTZPFWQPHIXPL-CYBMUJFWSA-N -1 3 354.370 0.540 10 0 FCAEHM COc1cccc(OC(F)(F)F)c1C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000611956664 491885219 /nfs/dbraw/zinc/88/52/19/491885219.db2.gz QMOZTSRYOIFOLQ-MRVPVSSYSA-N -1 3 373.287 0.970 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NCc1cccc(OCc2ccccn2)c1 ZINC000600953730 491889954 /nfs/dbraw/zinc/88/99/54/491889954.db2.gz RCVAURUCCAMABQ-UHFFFAOYSA-N -1 3 354.366 0.829 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC000600963130 491890278 /nfs/dbraw/zinc/89/02/78/491890278.db2.gz LFNJUTPDHOLRMM-AWEZNQCLSA-N -1 3 365.393 0.669 10 0 FCAEHM CC(C)(C)OC(=O)c1ccccc1CC(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000601278023 491901416 /nfs/dbraw/zinc/90/14/16/491901416.db2.gz NNDBRXUOEWPKLJ-AWEZNQCLSA-N -1 3 373.409 0.947 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-][C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000601344567 491906623 /nfs/dbraw/zinc/90/66/23/491906623.db2.gz WWJKKNZVVBCRIW-CYBMUJFWSA-N -1 3 352.412 0.665 10 0 FCAEHM CN1CCO[C@@H](CS(=O)(=O)[N-]C2(C(=O)OC(C)(C)C)CCCC2)C1 ZINC000601350486 491907348 /nfs/dbraw/zinc/90/73/48/491907348.db2.gz VYJYBHVSVBESGF-CYBMUJFWSA-N -1 3 362.492 0.891 10 0 FCAEHM COC(=O)[C@H]([N-]S(=O)(=O)CCCN(C)C)c1ccc(OC)cc1OC ZINC000601394012 491911910 /nfs/dbraw/zinc/91/19/10/491911910.db2.gz LSEIRVMSXSRZAT-OAHLLOKOSA-N -1 3 374.459 0.789 10 0 FCAEHM COC(=O)c1ncccc1S(=O)(=O)[N-]CC1(CC(N)=O)CCCCC1 ZINC000595388103 491927332 /nfs/dbraw/zinc/92/73/32/491927332.db2.gz URGQCCGAMNIFAX-UHFFFAOYSA-N -1 3 369.443 0.972 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]C2(C(=O)OC(C)(C)C)CCOCC2)cn1C ZINC000595401446 491928661 /nfs/dbraw/zinc/92/86/61/491928661.db2.gz YCNULWZMQZNUSU-UHFFFAOYSA-N -1 3 359.448 0.898 10 0 FCAEHM COC(=O)C12CCC(CC1)N2C(=O)C[N-]S(=O)(=O)c1ccccc1F ZINC000601829970 491951290 /nfs/dbraw/zinc/95/12/90/491951290.db2.gz OFQTVYWSTWSNLR-UHFFFAOYSA-N -1 3 370.402 0.801 10 0 FCAEHM C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000595886120 491959535 /nfs/dbraw/zinc/95/95/35/491959535.db2.gz VNOUAMDKAXCCJX-HPTBWKMGSA-N -1 3 353.419 0.424 10 0 FCAEHM CO[C@@H](C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-])[C@@H]1CCOC1 ZINC000613029495 491963498 /nfs/dbraw/zinc/96/34/98/491963498.db2.gz XPWLVBCZTUHDTE-IAQYHMDHSA-N -1 3 370.427 0.922 10 0 FCAEHM CN(C(=O)CC[C@H]1NC(=O)[N-]C1=O)[C@H]1CCN(c2ccccc2F)C1=O ZINC000602213876 491968403 /nfs/dbraw/zinc/96/84/03/491968403.db2.gz XCVQIDXPLJSFFL-YPMHNXCESA-N -1 3 362.361 0.378 10 0 FCAEHM COc1cc2nc(C(=O)[N-]c3nnc(C)n3C)c(=O)n(C)c2cc1OC ZINC000613453134 491982133 /nfs/dbraw/zinc/98/21/33/491982133.db2.gz LBSULVIGBVEJON-UHFFFAOYSA-N -1 3 358.358 0.640 10 0 FCAEHM C[C@H](CCNC(=O)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1)[S@](C)=O ZINC000614196546 492018949 /nfs/dbraw/zinc/01/89/49/492018949.db2.gz IVFWSYFSEHRSRY-LSBKLZEQSA-N -1 3 366.443 0.716 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)C(=O)Nc2c(F)cccc2F)nc1=N ZINC000614428410 492029420 /nfs/dbraw/zinc/02/94/20/492029420.db2.gz XOEBLFBQYFVLSM-JTQLQIEISA-N -1 3 350.329 0.808 10 0 FCAEHM CC(C)(C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F)n1cccn1 ZINC000614449007 492030635 /nfs/dbraw/zinc/03/06/35/492030635.db2.gz CMLQJGQDUGTCGE-UHFFFAOYSA-N -1 3 372.397 0.991 10 0 FCAEHM COC(=O)c1cccc2nc(NC(=O)C3(n4cnnn4)CCOCC3)[n-]c21 ZINC000597417493 492036840 /nfs/dbraw/zinc/03/68/40/492036840.db2.gz CQVAAFNORBPAQD-UHFFFAOYSA-N -1 3 371.357 0.480 10 0 FCAEHM COC(=O)c1cccc2[n-]c(NC(=O)C3(n4cnnn4)CCOCC3)nc21 ZINC000597417493 492036842 /nfs/dbraw/zinc/03/68/42/492036842.db2.gz CQVAAFNORBPAQD-UHFFFAOYSA-N -1 3 371.357 0.480 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)COCc2nccn2C)ccc1F ZINC000614679496 492047524 /nfs/dbraw/zinc/04/75/24/492047524.db2.gz DOTFOAHRGVKBRR-UHFFFAOYSA-N -1 3 356.379 0.623 10 0 FCAEHM CC(C)(C)OC(=O)CC1(C(=O)[N-]c2nnc3[nH]cnn23)CCOCC1 ZINC000597663987 492057399 /nfs/dbraw/zinc/05/73/99/492057399.db2.gz VYVLOWOIXSXBPB-UHFFFAOYSA-N -1 3 350.379 0.920 10 0 FCAEHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)[C@H](O)C1CCOCC1 ZINC000614823330 492057629 /nfs/dbraw/zinc/05/76/29/492057629.db2.gz PXEXXMNEBFYHCP-UHIISALHSA-N -1 3 351.403 0.654 10 0 FCAEHM CCCCN(CCCC)S(=O)(=O)N1CCC2(CC1)NC(=O)[N-]C2=O ZINC000615200419 492078409 /nfs/dbraw/zinc/07/84/09/492078409.db2.gz YTWNWCGFEXRNTB-UHFFFAOYSA-N -1 3 360.480 0.807 10 0 FCAEHM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCOC[C@H]1[C@H]1CCCN1C ZINC000615267510 492083156 /nfs/dbraw/zinc/08/31/56/492083156.db2.gz YUVYXYFHDHMQCI-CVEARBPZSA-N -1 3 373.457 0.916 10 0 FCAEHM COC(=O)c1ccc2c(c1)[C@H](CNC(=O)C[C@@H]1NC(=O)[N-]C1=O)CCC2 ZINC000598105969 492083386 /nfs/dbraw/zinc/08/33/86/492083386.db2.gz HKVFQLOJLXSTBL-JSGCOSHPSA-N -1 3 359.382 0.607 10 0 FCAEHM CC(C)(C)OC(=O)C(C)(C)n1cc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)cn1 ZINC000598119101 492084279 /nfs/dbraw/zinc/08/42/79/492084279.db2.gz LIWNRZZGFWRVOD-JTQLQIEISA-N -1 3 365.390 0.497 10 0 FCAEHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CC(O)(CO)C1 ZINC000615429909 492090355 /nfs/dbraw/zinc/09/03/55/492090355.db2.gz RGXBOWNWLJEVPC-UHFFFAOYSA-N -1 3 353.172 0.470 10 0 FCAEHM COC(=O)[C@](C)(CCF)NC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000598285853 492092935 /nfs/dbraw/zinc/09/29/35/492092935.db2.gz PTTKLDCGNOCIBU-DLBZAZTESA-N -1 3 365.361 0.762 10 0 FCAEHM CCOC(=O)C12CC(C1)CN2C(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000598445782 492098820 /nfs/dbraw/zinc/09/88/20/492098820.db2.gz GTSMLXIQMMIOMU-ONAFVYFWSA-N -1 3 371.393 0.909 10 0 FCAEHM CCOC(=O)C12CC(C1)CN2C(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000598445781 492098879 /nfs/dbraw/zinc/09/88/79/492098879.db2.gz GTSMLXIQMMIOMU-NCMFDSATSA-N -1 3 371.393 0.909 10 0 FCAEHM COC(=O)c1cnc([C@@H]2CCCN(C(=O)CN3CC(=O)[N-]C3=O)C2)s1 ZINC000598555526 492104991 /nfs/dbraw/zinc/10/49/91/492104991.db2.gz WXJGCFHULMPRMT-SECBINFHSA-N -1 3 366.399 0.188 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)CN2c3ccccc3O[C@H](C)C2=O)[n-]1 ZINC000615918930 492106938 /nfs/dbraw/zinc/10/69/38/492106938.db2.gz IXFCLBYDDOLEGT-SNVBAGLBSA-N -1 3 373.369 0.412 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)CN2c3ccccc3O[C@@H](C)C2=O)[n-]1 ZINC000615918929 492107189 /nfs/dbraw/zinc/10/71/89/492107189.db2.gz IXFCLBYDDOLEGT-JTQLQIEISA-N -1 3 373.369 0.412 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)c2cn(Cc3cccc(F)c3)nn2)[n-]1 ZINC000615919594 492107893 /nfs/dbraw/zinc/10/78/93/492107893.db2.gz SFHZWHAYRUZGGD-UHFFFAOYSA-N -1 3 373.348 0.690 10 0 FCAEHM NS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000615947864 492111348 /nfs/dbraw/zinc/11/13/48/492111348.db2.gz BZYPKSLAGUKZRG-NSHDSACASA-N -1 3 364.427 0.316 10 0 FCAEHM CCOC(=O)C12CC(C1)CN2C(=O)C[N-]S(=O)(=O)c1c(C)noc1C ZINC000598776637 492117940 /nfs/dbraw/zinc/11/79/40/492117940.db2.gz ORUJWBIHCISTBA-UHFFFAOYSA-N -1 3 371.415 0.124 10 0 FCAEHM COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)c1ccc([O-])c(C)c1 ZINC000598905024 492122208 /nfs/dbraw/zinc/12/22/08/492122208.db2.gz OJXWAXIXKSUVDY-RYUDHWBXSA-N -1 3 361.354 0.009 10 0 FCAEHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@@H]2CCC(=O)N(C)C2)s1 ZINC000606463796 492123455 /nfs/dbraw/zinc/12/34/55/492123455.db2.gz UPWAEPVQOLGBGV-GXSJLCMTSA-N -1 3 359.473 0.844 10 0 FCAEHM COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)c1cc(C)ccc1[O-] ZINC000598910832 492123730 /nfs/dbraw/zinc/12/37/30/492123730.db2.gz PBPOOTIBOUXEKD-JQWIXIFHSA-N -1 3 361.354 0.009 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@@H]2CS(N)(=O)=O)c([O-])c1 ZINC000607190337 492140922 /nfs/dbraw/zinc/14/09/22/492140922.db2.gz IFMQPJMNSIDCGN-GFCCVEGCSA-N -1 3 369.443 0.100 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]C[C@@](C)(O)CSC)on1 ZINC000599240904 492147659 /nfs/dbraw/zinc/14/76/59/492147659.db2.gz LRYCINBLEYBYOZ-GFCCVEGCSA-N -1 3 352.434 0.385 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@H](C)CO[C@@H]2CCOC2)on1 ZINC000599255379 492149750 /nfs/dbraw/zinc/14/97/50/492149750.db2.gz AEFNXILJGQQDBE-GHMZBOCLSA-N -1 3 362.404 0.465 10 0 FCAEHM CS(=O)(=O)[N-]c1cc(C(=O)N[C@H]2CCNC2=O)cc(C(F)(F)F)c1 ZINC000616957176 492150010 /nfs/dbraw/zinc/15/00/10/492150010.db2.gz KPPDAOMHFASPRE-JTQLQIEISA-N -1 3 365.333 0.695 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@H](C)[C@@H](CO)SC)on1 ZINC000599266720 492151554 /nfs/dbraw/zinc/15/15/54/492151554.db2.gz PSFJTYWTIYBEDU-LDYMZIIASA-N -1 3 352.434 0.383 10 0 FCAEHM Cc1nccc(CNC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)n1 ZINC000617189339 492159516 /nfs/dbraw/zinc/15/95/16/492159516.db2.gz PBXLWQQXVXFDAV-JTQLQIEISA-N -1 3 352.391 0.907 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H]2C[C@H]3CCCCN3C2=O)on1 ZINC000599323123 492160379 /nfs/dbraw/zinc/16/03/79/492160379.db2.gz FGISWCTVKQQWOA-ZYHUDNBSSA-N -1 3 371.415 0.424 10 0 FCAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C[C@@H](O)[C@@H]1CCCO1 ZINC000599391742 492167211 /nfs/dbraw/zinc/16/72/11/492167211.db2.gz LCMIPRTTZRYUTP-KXUCPTDWSA-N -1 3 363.354 0.330 10 0 FCAEHM COCCN(C)S(=O)(=O)[N-][C@H](Cc1cccc(OC)c1)C(=O)OC ZINC000599405204 492169040 /nfs/dbraw/zinc/16/90/40/492169040.db2.gz RWPOWDBWTPZZHB-CQSZACIVSA-N -1 3 360.432 0.192 10 0 FCAEHM CCN(CC)CCS(=O)(=O)[N-][C@H](C[C@H]1CCCOC1)C(=O)OC ZINC000599455664 492174937 /nfs/dbraw/zinc/17/49/37/492174937.db2.gz FCVWRHAQXZTPRY-ZIAGYGMSSA-N -1 3 350.481 0.606 10 0 FCAEHM COC(=O)[C@H](C[C@@H]1CCCOC1)[N-]S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000599459039 492175976 /nfs/dbraw/zinc/17/59/76/492175976.db2.gz BMPYLDARPMWSAI-XUXIUFHCSA-N -1 3 364.464 0.288 10 0 FCAEHM O=C(NCc1nnnn1C1CC1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000608477486 492177451 /nfs/dbraw/zinc/17/74/51/492177451.db2.gz QSFQYLODGRZFFN-CYBMUJFWSA-N -1 3 356.386 0.635 10 0 FCAEHM O=C(Cc1ccc(Br)cc1[O-])NC[C@]1(OCCO)CCOC1 ZINC000617707246 492181269 /nfs/dbraw/zinc/18/12/69/492181269.db2.gz HBOCDQWXNYPORL-OAHLLOKOSA-N -1 3 374.231 0.981 10 0 FCAEHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H]1CCN(C2CCC2)C1=O ZINC000599526360 492183716 /nfs/dbraw/zinc/18/37/16/492183716.db2.gz TXQAVDWJEVLIHM-JTQLQIEISA-N -1 3 358.441 0.966 10 0 FCAEHM CO[C@@]1(CO)CCCN(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)C1 ZINC000617796403 492192285 /nfs/dbraw/zinc/19/22/85/492192285.db2.gz TTXWGXBLSIDNOG-HNNXBMFYSA-N -1 3 360.407 0.811 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)N1CC[C@@H](O)C(F)(F)C1 ZINC000617818901 492194002 /nfs/dbraw/zinc/19/40/02/492194002.db2.gz VDQRETQCOQBPEW-LLVKDONJSA-N -1 3 352.334 0.333 10 0 FCAEHM COC(=O)[C@H](CNC(=O)CC[C@@H]1NC(=O)[N-]C1=O)Cc1cccc(F)c1 ZINC000609266101 492201146 /nfs/dbraw/zinc/20/11/46/492201146.db2.gz GEOLWXNTAGNQIN-AAEUAGOBSA-N -1 3 365.361 0.262 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC3(CCC3)OC[C@H]2C)cn1C ZINC000617947684 492207148 /nfs/dbraw/zinc/20/71/48/492207148.db2.gz HRKXOQSWVGBXIM-GFCCVEGCSA-N -1 3 370.475 0.567 10 0 FCAEHM C[C@H]1CC[C@H](NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)CS1(=O)=O ZINC000618311555 492222790 /nfs/dbraw/zinc/22/27/90/492222790.db2.gz BEVORKPYMBPQEM-GWCFXTLKSA-N -1 3 360.457 0.754 10 0 FCAEHM COC(=O)[C@H](NC(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1)C(C)(C)C ZINC000609834309 492223739 /nfs/dbraw/zinc/22/37/39/492223739.db2.gz LFGVMYCOHCKTOY-ZDUSSCGKSA-N -1 3 374.463 0.101 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@H](C)S(=O)(=O)C2)c(C)o1 ZINC000618322658 492223727 /nfs/dbraw/zinc/22/37/27/492223727.db2.gz ZLXDHNTUBYFUNO-WCBMZHEXSA-N -1 3 364.445 0.192 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CC[C@@H](C)S(=O)(=O)C2)c(C)o1 ZINC000618322657 492223806 /nfs/dbraw/zinc/22/38/06/492223806.db2.gz ZLXDHNTUBYFUNO-SCZZXKLOSA-N -1 3 364.445 0.192 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)N[C@H]2CC[C@H](C)S(=O)(=O)C2)c([O-])c1 ZINC000618324436 492224196 /nfs/dbraw/zinc/22/41/96/492224196.db2.gz VPEZKOWSJQHALJ-STQMWFEESA-N -1 3 368.455 0.902 10 0 FCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1c[nH]c(C(C)C)n1 ZINC000618703619 492235744 /nfs/dbraw/zinc/23/57/44/492235744.db2.gz MXMMPORCMSSHJA-NXEZZACHSA-N -1 3 360.436 0.268 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccc(F)c(F)c1)N1CC[C@@]2(O)C[C@H]2C1 ZINC000618750973 492237090 /nfs/dbraw/zinc/23/70/90/492237090.db2.gz GZDGOANWEQNGGU-ZUZCIYMTSA-N -1 3 360.382 0.617 10 0 FCAEHM C[C@@H]1CCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C[C@H](C)O1 ZINC000619124013 492250841 /nfs/dbraw/zinc/25/08/41/492250841.db2.gz WDSUAGKULGZNFE-BDAKNGLRSA-N -1 3 360.208 0.737 10 0 FCAEHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCC(OCCCO)CC1 ZINC000610700348 492259071 /nfs/dbraw/zinc/25/90/71/492259071.db2.gz KNXAISSHTLSBGP-UHFFFAOYSA-N -1 3 370.427 0.863 10 0 FCAEHM COC(=O)[C@@H](C[C@@H]1CCCOC1)NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000600438977 492270052 /nfs/dbraw/zinc/27/00/52/492270052.db2.gz UCIXVWBTCJUKQH-IINYFYTJSA-N -1 3 360.366 0.658 10 0 FCAEHM CN(C)C(=O)N(C)[C@H]1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)C1 ZINC000619988260 492285734 /nfs/dbraw/zinc/28/57/34/492285734.db2.gz VAMWGBURWVJGAR-AWEZNQCLSA-N -1 3 368.459 0.886 10 0 FCAEHM CCS(=O)(=O)C1(CNC(=O)C[N-]S(=O)(=O)c2cccs2)CC1 ZINC000620048869 492286784 /nfs/dbraw/zinc/28/67/84/492286784.db2.gz TUAVODZUXMAPQW-UHFFFAOYSA-N -1 3 366.486 0.110 10 0 FCAEHM C(CN1CCC[C@@H](N=c2[n-]c(C3CCOCC3)no2)C1)N1CCOCC1 ZINC000641717969 492298754 /nfs/dbraw/zinc/29/87/54/492298754.db2.gz IXXDQXJNFJQBKJ-MRXNPFEDSA-N -1 3 365.478 0.594 10 0 FCAEHM CO[C@H]1CN(C(=O)C[N-]S(=O)(=O)c2ccccc2F)[C@](C)(CO)C1 ZINC000634057781 492315818 /nfs/dbraw/zinc/31/58/18/492315818.db2.gz ALYJJROOJMANMS-ABAIWWIYSA-N -1 3 360.407 0.102 10 0 FCAEHM CO[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2ccccc2F)[C@](C)(CO)C1 ZINC000634057799 492316032 /nfs/dbraw/zinc/31/60/32/492316032.db2.gz ALYJJROOJMANMS-NHYWBVRUSA-N -1 3 360.407 0.102 10 0 FCAEHM CCCNC(=O)CNC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000620499973 492316359 /nfs/dbraw/zinc/31/63/59/492316359.db2.gz BJNGYUOKBCYLMV-UHFFFAOYSA-N -1 3 357.414 0.715 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)NC[C@@H]2CCOC2(C)C)cn1C ZINC000620511901 492316422 /nfs/dbraw/zinc/31/64/22/492316422.db2.gz GRJUPNMJYLATKG-LBPRGKRZSA-N -1 3 358.464 0.328 10 0 FCAEHM CO[C@@H]1CN(C(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)[C@@](C)(CO)C1 ZINC000634064086 492318445 /nfs/dbraw/zinc/31/84/45/492318445.db2.gz RELUXYMZZDTVBZ-COPLHBTASA-N -1 3 362.473 0.413 10 0 FCAEHM CO[C@@H]1CN(C(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)[C@@](C)(CO)C1 ZINC000634064089 492318906 /nfs/dbraw/zinc/31/89/06/492318906.db2.gz RELUXYMZZDTVBZ-UHIISALHSA-N -1 3 362.473 0.413 10 0 FCAEHM CN(C(=O)CCn1[n-]c(=O)c2ccccc2c1=O)[C@@H]1CCCCN(C)C1=O ZINC000634146757 492322232 /nfs/dbraw/zinc/32/22/32/492322232.db2.gz OGMKCJNRHFEZMW-OAHLLOKOSA-N -1 3 372.425 0.962 10 0 FCAEHM CN(CCCNC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)Cc1ccccc1 ZINC000647579395 492322599 /nfs/dbraw/zinc/32/25/99/492322599.db2.gz QKJNSWGNJFKTKF-JKSUJKDBSA-N -1 3 361.442 0.994 10 0 FCAEHM CN1CCC[C@H]1[C@@H]1COCCN1C(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000627518342 492330429 /nfs/dbraw/zinc/33/04/29/492330429.db2.gz FMKLFMBKORKVQI-KBPBESRZSA-N -1 3 368.459 0.388 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(C(=O)NC[C@@H]2CCCCN2CCO)cn1 ZINC000627574879 492343005 /nfs/dbraw/zinc/34/30/05/492343005.db2.gz UYFMIODPOGLMAV-ZDUSSCGKSA-N -1 3 356.448 0.030 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](C)O[C@@](C)(C(F)F)C2)cn1 ZINC000621122878 492357227 /nfs/dbraw/zinc/35/72/27/492357227.db2.gz GPOYMFSSQAXVGV-LKFCYVNXSA-N -1 3 363.386 0.874 10 0 FCAEHM O=C(CC[C@H]1NC(=O)[N-]C1=O)N[C@H]1CCc2ccccc2-n2ccnc21 ZINC000621177840 492360344 /nfs/dbraw/zinc/36/03/44/492360344.db2.gz KJKICVOLROJCRY-QWHCGFSZSA-N -1 3 353.382 0.964 10 0 FCAEHM C[C@@]1(C(F)F)CN(C(=O)C[N-]S(=O)(=O)c2ccccc2F)CCO1 ZINC000621200026 492360989 /nfs/dbraw/zinc/36/09/89/492360989.db2.gz IMABBWLQTBOUSD-AWEZNQCLSA-N -1 3 366.361 0.987 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@](C)(C(F)F)C2)c(C)o1 ZINC000621194657 492361022 /nfs/dbraw/zinc/36/10/22/492361022.db2.gz WZXAWAAZSZFSPB-ZDUSSCGKSA-N -1 3 352.359 0.992 10 0 FCAEHM O=C(CCc1ccc2c(c1)OC(F)(F)O2)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000654856683 492361107 /nfs/dbraw/zinc/36/11/07/492361107.db2.gz AWUMGTVCRCXETQ-JTQLQIEISA-N -1 3 367.308 0.703 10 0 FCAEHM C[C@@H](c1cccc(F)c1)N1CCN(Cc2cc(=O)n3nc(N)[n-]c3n2)CC1 ZINC000621268859 492367206 /nfs/dbraw/zinc/36/72/06/492367206.db2.gz AOUZIMRLQZNTPY-LBPRGKRZSA-N -1 3 371.420 0.848 10 0 FCAEHM CCN1OC[C@H](N2CCC([N-]S(=O)(=O)c3cccs3)CC2)C1=O ZINC000647956354 492386420 /nfs/dbraw/zinc/38/64/20/492386420.db2.gz LFTCWHWRTDHSNR-LBPRGKRZSA-N -1 3 359.473 0.653 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCn2nncc2C1 ZINC000655227677 492416889 /nfs/dbraw/zinc/41/68/89/492416889.db2.gz JYKFZLISEVULPR-JTQLQIEISA-N -1 3 353.379 0.126 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)c(C)o1 ZINC000655244235 492420159 /nfs/dbraw/zinc/42/01/59/492420159.db2.gz OWESIPBCAWGPNB-SDDRHHMPSA-N -1 3 373.475 0.724 10 0 FCAEHM CN(C)C1(CNC(=O)c2c[n-]n3c2nccc3=O)Cc2ccccc2C1 ZINC000621881440 492430253 /nfs/dbraw/zinc/43/02/53/492430253.db2.gz MGDNOJHFOLLGPZ-UHFFFAOYSA-N -1 3 351.410 0.852 10 0 FCAEHM CN1CC[C@@H](C(=O)N=c2nc(-c3ccccc3Cl)[n-]n2C)S1(=O)=O ZINC000648396036 492432146 /nfs/dbraw/zinc/43/21/46/492432146.db2.gz CMFIZHXCROWMMO-NSHDSACASA-N -1 3 369.834 0.530 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CC[C@H](O)CC12CCC2 ZINC000622114488 492454908 /nfs/dbraw/zinc/45/49/08/492454908.db2.gz SZJJVQLPUWGMGQ-LBPRGKRZSA-N -1 3 357.432 0.476 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCC[C@](O)(C2CC2)C1 ZINC000622162307 492460106 /nfs/dbraw/zinc/46/01/06/492460106.db2.gz DWQVTAOWGKFGIG-OAHLLOKOSA-N -1 3 357.432 0.333 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NCC(O)(C1CC1)C1CC1 ZINC000622174891 492463836 /nfs/dbraw/zinc/46/38/36/492463836.db2.gz RLYNERHFZCRTCS-UHFFFAOYSA-N -1 3 357.432 0.237 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N[C@@H](c1ccccc1)[C@@H](C)O ZINC000622185799 492464880 /nfs/dbraw/zinc/46/48/80/492464880.db2.gz QBNJEUNJRKIGBF-IAQYHMDHSA-N -1 3 367.427 0.808 10 0 FCAEHM C[C@H]1CCCc2nc(S(=O)(=O)[N-][C@@H]3CCc4c(nnn4C)C3)cn21 ZINC000655649034 492471918 /nfs/dbraw/zinc/47/19/18/492471918.db2.gz VPHMOCGMVCYCKE-WDEREUQCSA-N -1 3 350.448 0.745 10 0 FCAEHM Cn1nc(C2CC2)nc1CC(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000648909366 492473418 /nfs/dbraw/zinc/47/34/18/492473418.db2.gz RBWFJVBLIJOVMF-UHFFFAOYSA-N -1 3 356.386 0.770 10 0 FCAEHM O=C(NC[C@]1(CO)COCCN1Cc1ccccc1)c1cc(=O)[n-]cn1 ZINC000628133506 492473940 /nfs/dbraw/zinc/47/39/40/492473940.db2.gz HGPNQXDFOVVRSA-SFHVURJKSA-N -1 3 358.398 0.176 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@H](C[C@@H]2CCCO2)C(F)(F)F)cc1C(N)=O ZINC000655661096 492474718 /nfs/dbraw/zinc/47/47/18/492474718.db2.gz AVWZNRWXTQSEET-GZMMTYOYSA-N -1 3 369.365 0.902 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)Nc1n[nH]cc1C1CC1 ZINC000648978550 492480272 /nfs/dbraw/zinc/48/02/72/492480272.db2.gz ZTNJLLCNPKHMLW-UHFFFAOYSA-N -1 3 354.164 0.951 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCCc1ncn(C)n1 ZINC000648986184 492481507 /nfs/dbraw/zinc/48/15/07/492481507.db2.gz YAKZJSFHSIQZJR-NSHDSACASA-N -1 3 369.422 0.370 10 0 FCAEHM Cn1cnc(CCCNC(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)n1 ZINC000648985996 492482019 /nfs/dbraw/zinc/48/20/19/492482019.db2.gz PXPRVLZJXSTZBR-KRWDZBQOSA-N -1 3 356.386 0.232 10 0 FCAEHM CC(C)[C@@H]1N(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)CC12CC=CC2 ZINC000649141272 492504812 /nfs/dbraw/zinc/50/48/12/492504812.db2.gz HERJKHOEYQLGCK-HNNXBMFYSA-N -1 3 352.460 0.902 10 0 FCAEHM CCn1c(=O)[n-]c(=O)c2c(C(=O)N3CN(C)C(=O)[C@@H]3C)cc(C(C)C)nc21 ZINC000649161224 492506593 /nfs/dbraw/zinc/50/65/93/492506593.db2.gz ZWJNPHRPGOKOGY-JTQLQIEISA-N -1 3 373.413 0.901 10 0 FCAEHM CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)CNC(=O)c2ccc([O-])cc2)C1 ZINC000649238097 492514281 /nfs/dbraw/zinc/51/42/81/492514281.db2.gz UQYIIWWCOXQEIO-HNNXBMFYSA-N -1 3 373.331 0.649 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000628572168 492518522 /nfs/dbraw/zinc/51/85/22/492518522.db2.gz ABXKVQISBZCGCY-VDDIYKPWSA-N -1 3 357.288 0.635 10 0 FCAEHM CC(C)c1ncc2c(n1)CCN(C(=O)NCc1nc(CN)cc(=O)[n-]1)C2 ZINC000623180694 492524489 /nfs/dbraw/zinc/52/44/89/492524489.db2.gz VAIWBCOHKGDQPT-UHFFFAOYSA-N -1 3 357.418 0.822 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@@H]2c3ccccc3CN(C)C2=O)cc1C(N)=O ZINC000623237801 492531574 /nfs/dbraw/zinc/53/15/74/492531574.db2.gz KOJRSFTYPGGJAQ-CQSZACIVSA-N -1 3 362.411 0.116 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NC[C@H]1CCc2cccnc21 ZINC000623309851 492542325 /nfs/dbraw/zinc/54/23/25/492542325.db2.gz GRXLHJFNZMKKKJ-CYBMUJFWSA-N -1 3 364.427 0.811 10 0 FCAEHM CCn1c(=O)[n-]c(=O)c2c(C(=O)N[C@@H]3COCCC3=O)cc(C(C)C)nc21 ZINC000628872319 492558334 /nfs/dbraw/zinc/55/83/34/492558334.db2.gz SOJGLHVCGZLDHY-GFCCVEGCSA-N -1 3 374.397 0.728 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)cn1C ZINC000628949362 492570806 /nfs/dbraw/zinc/57/08/06/492570806.db2.gz MVNIIJYMKGRBIC-OZWUEAAUSA-N -1 3 358.464 0.325 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000629085380 492576662 /nfs/dbraw/zinc/57/66/62/492576662.db2.gz SJDVTXZAVGGXCW-LKFCYVNXSA-N -1 3 372.219 0.332 10 0 FCAEHM Cc1n[nH]cc1[N-]S(=O)(=O)CCCCS(=O)(=O)N1CC(C)(F)C1 ZINC000656391481 492620735 /nfs/dbraw/zinc/62/07/35/492620735.db2.gz JZXIUUHWPCNIQE-UHFFFAOYSA-N -1 3 368.456 0.614 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CCO[C@@H](CC(N)=O)C1 ZINC000629403082 492622419 /nfs/dbraw/zinc/62/24/19/492622419.db2.gz RPHIVBJSQGXQPT-JTQLQIEISA-N -1 3 359.386 0.268 10 0 FCAEHM C[C@]1(C[C@@H]2CCCN2C(=O)C[C@@H](O)Cc2ccccc2)NC(=O)[N-]C1=O ZINC000644127265 492650667 /nfs/dbraw/zinc/65/06/67/492650667.db2.gz LQWYXEDVLBMJQO-YZVOILCLSA-N -1 3 359.426 0.959 10 0 FCAEHM CS(=O)(=O)NC[C@@H]1COCCN1C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000629574556 492651622 /nfs/dbraw/zinc/65/16/22/492651622.db2.gz KHDFSZWLTRHBIT-CQSZACIVSA-N -1 3 368.455 0.661 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]CC(=O)N(C)Cc1ccccc1)[C@@H]1CCOC1 ZINC000656880080 492658968 /nfs/dbraw/zinc/65/89/68/492658968.db2.gz FBPJZDSWAUHVQH-CVEARBPZSA-N -1 3 370.471 0.616 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@@](C)(C(N)=O)c1ccccc1)[C@H]1CCOC1 ZINC000656889343 492659636 /nfs/dbraw/zinc/65/96/36/492659636.db2.gz DWIGBQLUEJDGME-JGGQBBKZSA-N -1 3 356.444 0.358 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@@H](CO)c1cc(F)ccc1F)[C@H]1CCOC1 ZINC000656909887 492666628 /nfs/dbraw/zinc/66/66/28/492666628.db2.gz IUUBJDGCZDQZCZ-NZVBXONLSA-N -1 3 365.398 0.969 10 0 FCAEHM CN1CCOC[C@@H]1CNC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000624730213 492676027 /nfs/dbraw/zinc/67/60/27/492676027.db2.gz CHHCAZZBCSHCOU-HNNXBMFYSA-N -1 3 362.430 0.190 10 0 FCAEHM CNC(=O)[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000656959534 492679701 /nfs/dbraw/zinc/67/97/01/492679701.db2.gz BQIFSVXPMWKUHE-SECBINFHSA-N -1 3 371.640 0.488 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]CC(=O)Nc1ccn(C)n1)C1CCCCC1 ZINC000656973732 492683227 /nfs/dbraw/zinc/68/32/27/492683227.db2.gz JGCGTPOBNSQNNR-CYBMUJFWSA-N -1 3 358.464 0.873 10 0 FCAEHM CCO[C@H](CS(=O)(=O)[N-]CCS(=O)(=O)NC(C)(C)C)C1CC1 ZINC000624842016 492689268 /nfs/dbraw/zinc/68/92/68/492689268.db2.gz MRGLUDFKVJOJGQ-GFCCVEGCSA-N -1 3 356.510 0.439 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCN(C)CC(F)F ZINC000629846181 492690202 /nfs/dbraw/zinc/69/02/02/492690202.db2.gz VHZNFNHPVKVFAS-JTQLQIEISA-N -1 3 367.393 0.806 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)NCCC1(CO)CCC1 ZINC000650981523 492690641 /nfs/dbraw/zinc/69/06/41/492690641.db2.gz TVAGPIKWLZKYTP-UHFFFAOYSA-N -1 3 361.489 0.878 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]C1(C(=O)N(C)C)CCCCC1)[C@H]1CCOC1 ZINC000657003527 492691449 /nfs/dbraw/zinc/69/14/49/492691449.db2.gz RURCRAXIXNIXIQ-KBPBESRZSA-N -1 3 362.492 0.748 10 0 FCAEHM O=C(c1ccccc1)N1CCC[C@@H](S(=O)(=O)[N-]C2COCCOC2)C1 ZINC000644288194 492692296 /nfs/dbraw/zinc/69/22/96/492692296.db2.gz NVFPENOTNOEAEI-MRXNPFEDSA-N -1 3 368.455 0.626 10 0 FCAEHM O=C(c1ccccc1)N1CCC[C@H](S(=O)(=O)[N-]C2COCCOC2)C1 ZINC000644288191 492692364 /nfs/dbraw/zinc/69/23/64/492692364.db2.gz NVFPENOTNOEAEI-INIZCTEOSA-N -1 3 368.455 0.626 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-]CC(=O)NCC(F)(F)F)CCOCC1 ZINC000624870289 492693256 /nfs/dbraw/zinc/69/32/56/492693256.db2.gz RDMJFCJLGOYQCC-UHFFFAOYSA-N -1 3 362.370 0.170 10 0 FCAEHM CO[C@@H](C[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F)[C@H]1CCOC1 ZINC000657043140 492702381 /nfs/dbraw/zinc/70/23/81/492702381.db2.gz GBRKQZPTVSYHAH-UFBFGSQYSA-N -1 3 360.363 0.590 10 0 FCAEHM O=S(=O)([N-]CC[C@@H](O)C(F)(F)F)c1cnnn1-c1ccccc1 ZINC000625004941 492709468 /nfs/dbraw/zinc/70/94/68/492709468.db2.gz PONIHKFTGNOMAN-SNVBAGLBSA-N -1 3 350.322 0.859 10 0 FCAEHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)[C@@H]2COC(C)(C)C2)C(=O)N1c1cnn(C)c1 ZINC000625025179 492712365 /nfs/dbraw/zinc/71/23/65/492712365.db2.gz DEGOAINXBVZEDI-KGYLQXTDSA-N -1 3 356.448 0.401 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@]23NC(=O)NC3=O)c(F)c1F ZINC000625034768 492714027 /nfs/dbraw/zinc/71/40/27/492714027.db2.gz PSXPNCHNXCYYEI-VFZGTOFNSA-N -1 3 373.381 0.930 10 0 FCAEHM CCO[C@H](CS(=O)(=O)[N-][C@@H]1CCN(C2CCOCC2)C1=O)C1CC1 ZINC000625045725 492715152 /nfs/dbraw/zinc/71/51/52/492715152.db2.gz ZIWFPKUPGIZZTH-HUUCEWRRSA-N -1 3 360.476 0.501 10 0 FCAEHM CO[C@@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)CC1Cc2ccccc2C1 ZINC000657101145 492720259 /nfs/dbraw/zinc/72/02/59/492720259.db2.gz QJUGZWIJTACWTC-HUUCEWRRSA-N -1 3 359.469 0.133 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCN(S(C)(=O)=O)C2)c(F)c1F ZINC000625083128 492721215 /nfs/dbraw/zinc/72/12/15/492721215.db2.gz IIQKCFDFNGGZDR-SNVBAGLBSA-N -1 3 368.427 0.833 10 0 FCAEHM COCc1nc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)n[nH]1 ZINC000657103188 492722048 /nfs/dbraw/zinc/72/20/48/492722048.db2.gz BVERKCXIWZCVLU-UHFFFAOYSA-N -1 3 351.310 0.843 10 0 FCAEHM COCc1nc(C[N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)n[nH]1 ZINC000657103550 492722228 /nfs/dbraw/zinc/72/22/28/492722228.db2.gz GSFBLFQFQZRNAI-UHFFFAOYSA-N -1 3 369.378 0.453 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]CC(=O)N1CCOCC1)c1ccc(F)cc1 ZINC000625110367 492725180 /nfs/dbraw/zinc/72/51/80/492725180.db2.gz CKYVQJWEOVNGSO-AWEZNQCLSA-N -1 3 360.407 0.291 10 0 FCAEHM CCO[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)CC1(OCC)CCOCC1 ZINC000625122313 492727107 /nfs/dbraw/zinc/72/71/07/492727107.db2.gz WQQKSYHVBJYKKH-UONOGXRCSA-N -1 3 351.465 0.686 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-][C@@](CC)(C(N)=O)C(C)C)CCOCC1 ZINC000625118203 492727185 /nfs/dbraw/zinc/72/71/85/492727185.db2.gz APVBLZYFDISSQW-OAHLLOKOSA-N -1 3 350.481 0.782 10 0 FCAEHM CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]C[C@]1(O)CCO[C@@H]1C ZINC000625165688 492732911 /nfs/dbraw/zinc/73/29/11/492732911.db2.gz OYOQEWLGBXNGTP-DAXOMENPSA-N -1 3 361.435 0.843 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-]CC2(S(C)(=O)=O)CCC2)CCOCC1 ZINC000625169851 492733646 /nfs/dbraw/zinc/73/36/46/492733646.db2.gz QZEZUAOHJOPPRV-UHFFFAOYSA-N -1 3 369.505 0.459 10 0 FCAEHM CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-][C@@H]1C(=O)NCC[C@H]1C ZINC000625185032 492735865 /nfs/dbraw/zinc/73/58/65/492735865.db2.gz TZKXZTLAGABUFZ-DFBGVHRSSA-N -1 3 358.435 0.827 10 0 FCAEHM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H]1C[C@@H](O)C12CCC2 ZINC000657185074 492738762 /nfs/dbraw/zinc/73/87/62/492738762.db2.gz BTQLMCVAKDITOL-UONOGXRCSA-N -1 3 374.484 0.519 10 0 FCAEHM CC1(C)C[C@H](S(=O)(=O)N2CCC[C@H]2C[C@]2(C)NC(=O)[N-]C2=O)CO1 ZINC000625211231 492740212 /nfs/dbraw/zinc/74/02/12/492740212.db2.gz DSUOTVVIHHCGTP-PGUXBMHVSA-N -1 3 359.448 0.336 10 0 FCAEHM Cc1cncc(CC[N-]S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)n1 ZINC000657194498 492740542 /nfs/dbraw/zinc/74/05/42/492740542.db2.gz FVQIKNHWQSQWQW-UHFFFAOYSA-N -1 3 373.431 0.849 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]C[C@@]2(O)CCS(=O)(=O)C2)c(F)c1F ZINC000625236057 492743555 /nfs/dbraw/zinc/74/35/55/492743555.db2.gz RJNMNSYFHAJTFH-LBPRGKRZSA-N -1 3 355.384 0.101 10 0 FCAEHM COC[C@H]([N-]S(=O)(=O)c1cnnn1-c1ccccc1)C1CCOCC1 ZINC000625276847 492749979 /nfs/dbraw/zinc/74/99/79/492749979.db2.gz WIVSXTAJBUSNQM-HNNXBMFYSA-N -1 3 366.443 0.987 10 0 FCAEHM CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-][C@H]1C(=O)NCC1(C)C ZINC000625286240 492751424 /nfs/dbraw/zinc/75/14/24/492751424.db2.gz STCPHNUYNLPJIX-KGLIPLIRSA-N -1 3 358.435 0.827 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]C[C@H](n1cccn1)C(F)(F)F)[C@@H]1CCOC1 ZINC000625326892 492757187 /nfs/dbraw/zinc/75/71/87/492757187.db2.gz BYLIMCVLPHSKRK-UTUOFQBUSA-N -1 3 371.381 0.957 10 0 FCAEHM Cc1cn(C)nc1NC(=O)C(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000657616288 492766381 /nfs/dbraw/zinc/76/63/81/492766381.db2.gz NDUNEVAVKZMRJW-UHFFFAOYSA-N -1 3 371.397 0.357 10 0 FCAEHM COC1(CS(=O)(=O)[N-][C@@](C)(C(N)=O)c2ccccc2)CCOCC1 ZINC000651542712 492776865 /nfs/dbraw/zinc/77/68/65/492776865.db2.gz QMDXMYFJMULZAQ-OAHLLOKOSA-N -1 3 356.444 0.502 10 0 FCAEHM C[C@@]1(c2ccc(CNC(=O)C3(N4CCOCC4)CC3)cc2)NC(=O)[N-]C1=O ZINC000630888734 492781863 /nfs/dbraw/zinc/78/18/63/492781863.db2.gz HDRCQLMDPQHBGE-SFHVURJKSA-N -1 3 372.425 0.222 10 0 FCAEHM CN(CCN1CCN(C(=O)CCc2nnn[n-]2)CC1)Cc1ccccc1 ZINC000630928142 492785357 /nfs/dbraw/zinc/78/53/57/492785357.db2.gz QOOHHYGSNCVQEZ-UHFFFAOYSA-N -1 3 357.462 0.409 10 0 FCAEHM CN(CCN1CCN(C(=O)CCc2nn[n-]n2)CC1)Cc1ccccc1 ZINC000630928142 492785358 /nfs/dbraw/zinc/78/53/58/492785358.db2.gz QOOHHYGSNCVQEZ-UHFFFAOYSA-N -1 3 357.462 0.409 10 0 FCAEHM O=C1[C@@H]([N-]S(=O)(=O)N2CCCOCC2)CCCN1c1cccnc1 ZINC000651639328 492798249 /nfs/dbraw/zinc/79/82/49/492798249.db2.gz ZMUOZMFISQVCSM-AWEZNQCLSA-N -1 3 354.432 0.134 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-][C@@H]2CCS(=O)(=O)[C@@H]2C)CCOCC1 ZINC000625522423 492810152 /nfs/dbraw/zinc/81/01/52/492810152.db2.gz UYSBRCCAFMAQBO-VXGBXAGGSA-N -1 3 355.478 0.067 10 0 FCAEHM COC1(CS(=O)(=O)[N-]Cc2ncn(-c3ccccc3)n2)CCOCC1 ZINC000651720636 492812980 /nfs/dbraw/zinc/81/29/80/492812980.db2.gz GXJBEKXONIZJEC-UHFFFAOYSA-N -1 3 366.443 0.882 10 0 FCAEHM OCCO[C@@]1(CN=c2cc(-c3ccccc3)n3[n-]cnc3n2)CCOC1 ZINC000631364175 492814446 /nfs/dbraw/zinc/81/44/46/492814446.db2.gz KRVRADPFIHWUNG-GOSISDBHSA-N -1 3 355.398 0.793 10 0 FCAEHM O=C(CCc1nnn[n-]1)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000631397414 492816858 /nfs/dbraw/zinc/81/68/58/492816858.db2.gz NJJFKJBVEBLYPF-UHFFFAOYSA-N -1 3 362.409 0.931 10 0 FCAEHM O=C(CCc1nn[n-]n1)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000631397414 492816860 /nfs/dbraw/zinc/81/68/60/492816860.db2.gz NJJFKJBVEBLYPF-UHFFFAOYSA-N -1 3 362.409 0.931 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC(C2(O)CC2)CC1 ZINC000651784244 492822470 /nfs/dbraw/zinc/82/24/70/492822470.db2.gz HVOILLQQQBEOIU-UHFFFAOYSA-N -1 3 374.484 0.520 10 0 FCAEHM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H]1CO[C@H](C2CC2)C1 ZINC000625576489 492825352 /nfs/dbraw/zinc/82/53/52/492825352.db2.gz HUUYYJZHZYIMHZ-OLZOCXBDSA-N -1 3 374.484 0.783 10 0 FCAEHM Cc1cccc(C)c1NC(=O)C[N-]S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000631656365 492830289 /nfs/dbraw/zinc/83/02/89/492830289.db2.gz QNBGINIEBRIWCQ-CQSZACIVSA-N -1 3 365.455 0.925 10 0 FCAEHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCOC[C@H]1O ZINC000625596736 492832142 /nfs/dbraw/zinc/83/21/42/492832142.db2.gz LUEFPPQVPLRPBD-VHSXEESVSA-N -1 3 366.233 0.886 10 0 FCAEHM O=S(=O)([N-]C[C@@H]1CN(Cc2ccncc2)CCO1)c1cscn1 ZINC000625621918 492843955 /nfs/dbraw/zinc/84/39/55/492843955.db2.gz YIPJMDUBTJJLKR-CYBMUJFWSA-N -1 3 354.457 0.717 10 0 FCAEHM CCN1C[C@H](S(=O)(=O)[N-]CC(=O)Nc2ccc(Cl)cc2)CC1=O ZINC000631785987 492852868 /nfs/dbraw/zinc/85/28/68/492852868.db2.gz QGWVEXUTCOMTPS-GFCCVEGCSA-N -1 3 359.835 0.819 10 0 FCAEHM CN1CCO[C@H](CS(=O)(=O)[N-]CC(=O)Nc2ccc(Cl)cc2)C1 ZINC000631786051 492852945 /nfs/dbraw/zinc/85/29/45/492852945.db2.gz QWRMZEXMZVDJRE-ZDUSSCGKSA-N -1 3 361.851 0.529 10 0 FCAEHM CN1CCO[C@H](CS(=O)(=O)[N-]CC(=O)N2CCCc3ccccc32)C1 ZINC000631793939 492854315 /nfs/dbraw/zinc/85/43/15/492854315.db2.gz HDFDDMDLOOKSKK-HNNXBMFYSA-N -1 3 367.471 0.216 10 0 FCAEHM CCN1C[C@H](S(=O)(=O)[N-]CC(=O)N2CCCc3ccccc32)CC1=O ZINC000631793612 492854572 /nfs/dbraw/zinc/85/45/72/492854572.db2.gz AHFHQIIMFBPOIP-CQSZACIVSA-N -1 3 365.455 0.506 10 0 FCAEHM O=C(C[N-]S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1)Nc1cccc(F)c1 ZINC000631850058 492862402 /nfs/dbraw/zinc/86/24/02/492862402.db2.gz DDWVDUCIHGGUAA-CYBMUJFWSA-N -1 3 355.391 0.447 10 0 FCAEHM C[C@@]1(c2ccc(CNc3nc(N)nc4c3CCCC4)cc2)NC(=O)[N-]C1=O ZINC000645152197 492872797 /nfs/dbraw/zinc/87/27/97/492872797.db2.gz CHEUTOULEJGZIK-IBGZPJMESA-N -1 3 366.425 1.026 10 0 FCAEHM O=C1[C@H]([N-]S(=O)(=O)C[C@@H]2CNCCO2)CCN1c1ccc(Cl)cc1 ZINC000631922457 492885670 /nfs/dbraw/zinc/88/56/70/492885670.db2.gz XDHOLINYTTYWEI-UONOGXRCSA-N -1 3 373.862 0.353 10 0 FCAEHM O=C1C[C@H](S(=O)(=O)[N-]Cc2n[nH]cc2Br)CN1C1CC1 ZINC000631934106 492891539 /nfs/dbraw/zinc/89/15/39/492891539.db2.gz PBQRKAPNWRFBCW-QMMMGPOBSA-N -1 3 363.237 0.355 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1)C(=O)Nc1ccccc1 ZINC000631948052 492896200 /nfs/dbraw/zinc/89/62/00/492896200.db2.gz VDJRQNOTLCGVIQ-FZMZJTMJSA-N -1 3 351.428 0.696 10 0 FCAEHM O=S(=O)(C[C@@H]1CNCCO1)[N-]C[C@H](OC1CCCC1)C(F)(F)F ZINC000631950683 492897136 /nfs/dbraw/zinc/89/71/36/492897136.db2.gz NSMRNIBUEDDPBD-RYUDHWBXSA-N -1 3 360.398 0.784 10 0 FCAEHM CCN1C[C@H](S(=O)(=O)[N-][C@@H]2CCN(c3ccccc3F)C2=O)CC1=O ZINC000631953898 492897761 /nfs/dbraw/zinc/89/77/61/492897761.db2.gz VXAZVRXCXBWESR-DGCLKSJQSA-N -1 3 369.418 0.471 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]C[C@@H](O)CN1CCCCC1 ZINC000632001736 492907428 /nfs/dbraw/zinc/90/74/28/492907428.db2.gz AEGBTKXXKZBARQ-SNVBAGLBSA-N -1 3 370.397 0.564 10 0 FCAEHM Cn1ccc(N2CCC[C@@H]([N-]S(=O)(=O)CCOC(C)(C)C)C2=O)n1 ZINC000632038164 492916002 /nfs/dbraw/zinc/91/60/02/492916002.db2.gz QPZHYSUBDCUXPH-GFCCVEGCSA-N -1 3 358.464 0.650 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CC(=O)Nc2cccnc2)coc1C(=O)N(C)C ZINC000645509453 492917118 /nfs/dbraw/zinc/91/71/18/492917118.db2.gz IPGBYLDYJBTDMA-UHFFFAOYSA-N -1 3 366.399 0.602 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CCN2CCOC[C@@H]2C)coc1C(=O)N(C)C ZINC000645518039 492919361 /nfs/dbraw/zinc/91/93/61/492919361.db2.gz GNCOHTCOBGGXNF-NSHDSACASA-N -1 3 359.448 0.289 10 0 FCAEHM NC(=O)C[C@H]1CN(Cc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)CCO1 ZINC000626078487 492927406 /nfs/dbraw/zinc/92/74/06/492927406.db2.gz IOGLCDTWQBEQOD-ZDUSSCGKSA-N -1 3 368.397 0.597 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)coc1C(=O)N(C)C ZINC000645571098 492929538 /nfs/dbraw/zinc/92/95/38/492929538.db2.gz IIGLAUVDBWWWQL-JLLWLGSASA-N -1 3 369.443 0.577 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@H]2CCCC[C@H]2C(N)=O)coc1C(=O)N(C)C ZINC000645585276 492932577 /nfs/dbraw/zinc/93/25/77/492932577.db2.gz WLYCWVJLSGWNQF-MNOVXSKESA-N -1 3 357.432 0.612 10 0 FCAEHM O=C(c1cn2c(n1)COCC2)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000626102025 492933652 /nfs/dbraw/zinc/93/36/52/492933652.db2.gz QDBGTUKXNONUAL-UHFFFAOYSA-N -1 3 356.382 0.717 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C)[C@@H]1CN(C)CCO1 ZINC000632123788 492934398 /nfs/dbraw/zinc/93/43/98/492934398.db2.gz JNWZVBQIWDLYDR-WPRPVWTQSA-N -1 3 356.370 0.436 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@@H](C)[C@H]2CN(C)CCO2)coc1C(=O)N(C)C ZINC000645613317 492940109 /nfs/dbraw/zinc/94/01/09/492940109.db2.gz LGLTUFLOTYIXKD-NWDGAFQWSA-N -1 3 359.448 0.287 10 0 FCAEHM CNC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000632162866 492942245 /nfs/dbraw/zinc/94/22/45/492942245.db2.gz LRPFGEQSUIQUQL-APPZFPTMSA-N -1 3 354.354 0.632 10 0 FCAEHM Cn1cnnc1S(=O)(=O)[N-][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000632169229 492942818 /nfs/dbraw/zinc/94/28/18/492942818.db2.gz MZLZEYQLOHVSEC-DGCLKSJQSA-N -1 3 369.834 0.719 10 0 FCAEHM Cc1cn2c(n1)C[C@H](C(=O)NCC[N-]S(=O)(=O)c1cccs1)CC2 ZINC000626223513 492948983 /nfs/dbraw/zinc/94/89/83/492948983.db2.gz IAFRNXLIUMDJAF-GFCCVEGCSA-N -1 3 368.484 0.910 10 0 FCAEHM CC[C@@]([N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C)(C(N)=O)C(C)C ZINC000645645816 492953208 /nfs/dbraw/zinc/95/32/08/492953208.db2.gz GZMZJAUFLBFOKY-HNNXBMFYSA-N -1 3 359.448 0.858 10 0 FCAEHM COCCO[C@H]1COCC[C@@H]1[N-]S(=O)(=O)CC1(OC)CCCC1 ZINC000632238056 492955490 /nfs/dbraw/zinc/95/54/90/492955490.db2.gz VHVPLVDZWHBWOI-KBPBESRZSA-N -1 3 351.465 0.686 10 0 FCAEHM O=C(NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2)c1cc(=O)[n-]cn1 ZINC000626322704 492962593 /nfs/dbraw/zinc/96/25/93/492962593.db2.gz DONWJKBGKXHLLN-LSDHHAIUSA-N -1 3 367.409 0.511 10 0 FCAEHM O=S(=O)(CCOCC1CCC1)[N-]C[C@@H](N1CCOCC1)C(F)(F)F ZINC000645711986 492965141 /nfs/dbraw/zinc/96/51/41/492965141.db2.gz AZPMRYVFQNTFAQ-CYBMUJFWSA-N -1 3 374.425 0.986 10 0 FCAEHM CNCc1ccccc1CNC(=O)C(=O)N=c1ccc(OC(C)C)n[n-]1 ZINC000652640854 492975778 /nfs/dbraw/zinc/97/57/78/492975778.db2.gz OGDOWLFEQHZQLN-UHFFFAOYSA-N -1 3 357.414 0.660 10 0 FCAEHM COC1(CS(=O)(=O)[N-]C[C@H](N2CCOCC2)C(F)(F)F)CCC1 ZINC000632333956 492975961 /nfs/dbraw/zinc/97/59/61/492975961.db2.gz PYZVHKSYVMXUAU-NSHDSACASA-N -1 3 360.398 0.738 10 0 FCAEHM Cc1nc([C@](C)([N-]S(=O)(=O)CCCN2CCN(C)CC2)C2CC2)no1 ZINC000632365409 492983756 /nfs/dbraw/zinc/98/37/56/492983756.db2.gz VQUPGZUOOJTXDC-MRXNPFEDSA-N -1 3 371.507 0.560 10 0 FCAEHM CN1CCO[C@@H](CS(=O)(=O)[N-][C@@H]2CCN(c3ccc(F)cc3)C2=O)C1 ZINC000632457467 493001104 /nfs/dbraw/zinc/00/11/04/493001104.db2.gz GLHAWSFSKMVJNX-HUUCEWRRSA-N -1 3 371.434 0.181 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CC[C@H](N3CCC3)[C@@H](F)C2)cn1 ZINC000626680849 493008023 /nfs/dbraw/zinc/00/80/23/493008023.db2.gz WFZXYGBSUWGHMS-STQMWFEESA-N -1 3 356.423 0.711 10 0 FCAEHM CCn1nnc(C)c1C[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000632496417 493012287 /nfs/dbraw/zinc/01/22/87/493012287.db2.gz FYYPGMYWTXQUQG-UHFFFAOYSA-N -1 3 352.342 0.837 10 0 FCAEHM O=C(NC[C@@H]1CN2CCN1CCC2)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000646121941 493017135 /nfs/dbraw/zinc/01/71/35/493017135.db2.gz ZVOCLBOFXVDLPB-NVXWUHKLSA-N -1 3 372.469 0.503 10 0 FCAEHM COC[C@@H]1C[C@@H](O)CN1C(=O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000652778613 493017794 /nfs/dbraw/zinc/01/77/94/493017794.db2.gz VNAQBJOAIUNECR-NWDGAFQWSA-N -1 3 360.407 0.102 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]Cc1cc2n(n1)CCCO2 ZINC000632522720 493020365 /nfs/dbraw/zinc/02/03/65/493020365.db2.gz OLEAAUVUCSGVEM-UHFFFAOYSA-N -1 3 365.337 0.896 10 0 FCAEHM CCN1C[C@H](S(=O)(=O)[N-][C@H]2CCc3ccccc3NC2=O)CC1=O ZINC000632535900 493023387 /nfs/dbraw/zinc/02/33/87/493023387.db2.gz GZTFJLZIOYVZRQ-OCCSQVGLSA-N -1 3 351.428 0.480 10 0 FCAEHM Cn1cc([C@H]2[C@@H](C(=O)[N-]c3nnc4[nH]cnn34)CC(=O)N2C(C)(C)C)cn1 ZINC000646266831 493034641 /nfs/dbraw/zinc/03/46/41/493034641.db2.gz VECRMRQQLXONPV-JQWIXIFHSA-N -1 3 371.405 0.513 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccc(F)c(F)c1)N1Cc2c[nH]nc2C1 ZINC000646348749 493041764 /nfs/dbraw/zinc/04/17/64/493041764.db2.gz LVXIGMIHBVJUJM-UHFFFAOYSA-N -1 3 356.354 0.899 10 0 FCAEHM COC1(CS(=O)(=O)[N-]C[C@H]2CN(Cc3ccncc3)CCO2)CCC1 ZINC000632600929 493043344 /nfs/dbraw/zinc/04/33/44/493043344.db2.gz RHHZJVQQKGIACE-INIZCTEOSA-N -1 3 369.487 0.771 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(CCOC)CC2(C)C)c(C)o1 ZINC000652925815 493043652 /nfs/dbraw/zinc/04/36/52/493043652.db2.gz ADCUVYMEZKAWFK-UHFFFAOYSA-N -1 3 373.475 0.679 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N[C@@H](C1CC1)C1CCOCC1 ZINC000653038362 493063114 /nfs/dbraw/zinc/06/31/14/493063114.db2.gz FXTIZDOSLXLYIM-HNNXBMFYSA-N -1 3 371.459 0.891 10 0 FCAEHM C[C@@]1(CNC(=O)NCc2nc(CN)cc(=O)[n-]2)COc2ccccc2O1 ZINC000627121193 493091941 /nfs/dbraw/zinc/09/19/41/493091941.db2.gz XWMAKAIJUZQVED-QGZVFWFLSA-N -1 3 359.386 0.670 10 0 FCAEHM CC(C)OC[C@H](N)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000659275788 493181144 /nfs/dbraw/zinc/18/11/44/493181144.db2.gz ICPHZWSDOOESBR-ZDUSSCGKSA-N -1 3 359.423 0.957 10 0 FCAEHM O=C(CNC(=O)c1cccc([O-])c1)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000633807360 493192207 /nfs/dbraw/zinc/19/22/07/493192207.db2.gz IXSDAQTWNDFPTO-IAGOWNOFSA-N -1 3 356.378 0.773 10 0 FCAEHM Cn1ncc2c1nc(CN1CCN(c3cc(C4CC4)[nH]n3)CC1)[n-]c2=O ZINC000681701352 493207289 /nfs/dbraw/zinc/20/72/89/493207289.db2.gz MQMUHURUXQTHLW-UHFFFAOYSA-N -1 3 354.418 0.992 10 0 FCAEHM CN1c2ccccc2C[C@@H](NC(=O)NCc2nc(CN)cc(=O)[n-]2)C1=O ZINC000659629497 493222405 /nfs/dbraw/zinc/22/24/05/493222405.db2.gz VPDHFLZSIYIKHA-GFCCVEGCSA-N -1 3 356.386 0.028 10 0 FCAEHM CC[C@H]1CN(C(=O)NCc2nc(CN)cc(=O)[n-]2)C[C@]2(CCOC2)O1 ZINC000659629537 493222727 /nfs/dbraw/zinc/22/27/27/493222727.db2.gz GOGCUNUUXJUWKK-LRDDRELGSA-N -1 3 351.407 0.120 10 0 FCAEHM CCNC(=O)C[C@H]1CCCCN1C(=O)NCc1nc(CN)cc(=O)[n-]1 ZINC000659630975 493223745 /nfs/dbraw/zinc/22/37/45/493223745.db2.gz YDOZWEGSOAFEDS-GFCCVEGCSA-N -1 3 350.423 0.231 10 0 FCAEHM CN(C(=O)NCc1nc(CN)cc(=O)[n-]1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000659631479 493225554 /nfs/dbraw/zinc/22/55/54/493225554.db2.gz FOSRLCGRRMKOSM-CQSZACIVSA-N -1 3 370.413 0.588 10 0 FCAEHM O=C([O-])C1(CNC(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)CCC1 ZINC000659669610 493242632 /nfs/dbraw/zinc/24/26/32/493242632.db2.gz VTTYMAYZPIJLNG-AWEZNQCLSA-N -1 3 351.447 0.834 10 0 FCAEHM O=C(Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1)N1CC(F)(F)C[C@@H]1CO ZINC000682053398 493265582 /nfs/dbraw/zinc/26/55/82/493265582.db2.gz JCZCWVZYTGXJAH-VXGBXAGGSA-N -1 3 368.340 0.671 10 0 FCAEHM C[C@H]1CN(C(=O)C(=O)NCc2nc(CN)cc(=O)[n-]2)CCc2ccccc21 ZINC000659748328 493284233 /nfs/dbraw/zinc/28/42/33/493284233.db2.gz TUGNHCVTMLCWKR-LBPRGKRZSA-N -1 3 369.425 0.446 10 0 FCAEHM CC(C)O[C@]1(CS(=O)(=O)[N-][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)CCOC1 ZINC000659918218 493303275 /nfs/dbraw/zinc/30/32/75/493303275.db2.gz BKEFAMBVHHXNLK-HGTKMLMNSA-N -1 3 360.476 0.499 10 0 FCAEHM O=C(Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1)N1C[C@@H](O)CC(F)(F)C1 ZINC000682556559 493308504 /nfs/dbraw/zinc/30/85/04/493308504.db2.gz MRMLKBDVDQTGGJ-RYUDHWBXSA-N -1 3 368.340 0.671 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N[C@@H]2CCCC2(F)F)cn1C ZINC000673380189 493324219 /nfs/dbraw/zinc/32/42/19/493324219.db2.gz QTOGPXAZLGKEIH-SNVBAGLBSA-N -1 3 350.391 0.701 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]C[C@H]2CN(C)CCN2Cc2ccccc2)c1 ZINC000660122774 493328565 /nfs/dbraw/zinc/32/85/65/493328565.db2.gz KHVRISPSTSVRPT-INIZCTEOSA-N -1 3 363.487 0.515 10 0 FCAEHM C[C@@H]1C(=O)Nc2cc(C(=O)N3CCC[C@H]3c3nc(=N)n(C)[n-]3)ccc2N1C ZINC000673441695 493329404 /nfs/dbraw/zinc/32/94/04/493329404.db2.gz AIDFXOCTIKCREC-YGRLFVJLSA-N -1 3 369.429 0.982 10 0 FCAEHM C[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccc(S(C)(=O)=O)nc1)c1ccccc1 ZINC000660161756 493331266 /nfs/dbraw/zinc/33/12/66/493331266.db2.gz HMDMZASGNWBBGH-ABAIWWIYSA-N -1 3 370.452 0.886 10 0 FCAEHM C[C@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(S(C)(=O)=O)nc1)c1ccccc1 ZINC000660161759 493331594 /nfs/dbraw/zinc/33/15/94/493331594.db2.gz HMDMZASGNWBBGH-XHDPSFHLSA-N -1 3 370.452 0.886 10 0 FCAEHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)c1 ZINC000673855175 493367209 /nfs/dbraw/zinc/36/72/09/493367209.db2.gz IAUWSIALSRRDSD-OAHLLOKOSA-N -1 3 361.398 0.860 10 0 FCAEHM O=C(CNC(=O)c1ccc([O-])cc1)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000673855549 493367522 /nfs/dbraw/zinc/36/75/22/493367522.db2.gz VFTQQAXBKRGOQJ-HNNXBMFYSA-N -1 3 361.398 0.018 10 0 FCAEHM COc1ccc2c(ccn2CC(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000684077151 493391852 /nfs/dbraw/zinc/39/18/52/493391852.db2.gz FSAIMZFITNJCKP-GOSISDBHSA-N -1 3 356.382 0.851 10 0 FCAEHM Cn1ncc(C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1Cc1ccccc1 ZINC000684078111 493392416 /nfs/dbraw/zinc/39/24/16/493392416.db2.gz CASHFJFQTHOCFA-LJQANCHMSA-N -1 3 367.409 0.825 10 0 FCAEHM COC[C@H](CCNC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)OC ZINC000661485659 493442012 /nfs/dbraw/zinc/44/20/12/493442012.db2.gz HQZJTOSLKSYYTH-AWEZNQCLSA-N -1 3 365.430 0.911 10 0 FCAEHM CN1C[C@@H](C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)NC1=O ZINC000669090828 493462163 /nfs/dbraw/zinc/46/21/63/493462163.db2.gz OJZLYMXJVNBTFA-NSHDSACASA-N -1 3 356.379 0.229 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)NCC(C)(C)[C@@H]2CCCCO2)cn1C ZINC000675168061 493472134 /nfs/dbraw/zinc/47/21/34/493472134.db2.gz IAHJZAXXIWHHDL-ZDUSSCGKSA-N -1 3 372.491 0.718 10 0 FCAEHM NC(=O)CC1([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)CCC1 ZINC000675580016 493491247 /nfs/dbraw/zinc/49/12/47/493491247.db2.gz BRDJUAYBYKKWGS-UHFFFAOYSA-N -1 3 355.391 0.787 10 0 FCAEHM CN(C)[C@@H](CNC(=O)CN1C[C@@H]2COC[C@]2(C(=O)[O-])C1)c1ccccc1 ZINC000662219477 493497591 /nfs/dbraw/zinc/49/75/91/493497591.db2.gz XZAOVYDNKSVPPI-JTDSTZFVSA-N -1 3 361.442 0.439 10 0 FCAEHM O=C([O-])[C@]12COC[C@H]1CN(CC(=O)NCCOc1ccc(Cl)cc1)C2 ZINC000662220798 493497692 /nfs/dbraw/zinc/49/76/92/493497692.db2.gz XBLMVFPYCQVEKS-SJKOYZFVSA-N -1 3 368.817 0.868 10 0 FCAEHM CN(C)S(=O)(=O)c1cccc(CN2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1 ZINC000662220509 493497765 /nfs/dbraw/zinc/49/77/65/493497765.db2.gz LECFANJCZDXTII-CZUORRHYSA-N -1 3 354.428 0.470 10 0 FCAEHM CC(C)OC[C@H](N)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000662355565 493509179 /nfs/dbraw/zinc/50/91/79/493509179.db2.gz CHUBKWLFNSUCLG-ZDUSSCGKSA-N -1 3 371.459 0.868 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC(OCCCO)CC2)c(C)o1 ZINC000676175497 493529006 /nfs/dbraw/zinc/52/90/06/493529006.db2.gz NYDYYYVZLIEWAI-UHFFFAOYSA-N -1 3 360.432 0.500 10 0 FCAEHM O=C(Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1)N1C[C@@H]2COC[C@H](C1)O2 ZINC000669960286 493536889 /nfs/dbraw/zinc/53/68/89/493536889.db2.gz YJCVIEHUDJBGLZ-HZSPNIEDSA-N -1 3 360.370 0.069 10 0 FCAEHM CCN1CC[C@H](NC(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)C1=O ZINC000670044597 493542868 /nfs/dbraw/zinc/54/28/68/493542868.db2.gz QMTJDBHBRNVDIG-HNNXBMFYSA-N -1 3 360.414 0.480 10 0 FCAEHM COCCCS(=O)(=O)[N-]CC(=O)Nc1cn(C)nc1-c1ccccn1 ZINC000676394596 493549105 /nfs/dbraw/zinc/54/91/05/493549105.db2.gz KIHANVKWUZOPGD-UHFFFAOYSA-N -1 3 367.431 0.377 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)NCCC[C@@H]2CCCC[C@H]2O)c1 ZINC000676400581 493549578 /nfs/dbraw/zinc/54/95/78/493549578.db2.gz RDOVNHBGAFKMME-QWHCGFSZSA-N -1 3 358.464 0.146 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CCc3nccnc3C2)s1 ZINC000663536126 493594533 /nfs/dbraw/zinc/59/45/33/493594533.db2.gz IDRHVGOVLNANKV-UHFFFAOYSA-N -1 3 367.456 0.714 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CC[C@H]3COC[C@@H]3C2)s1 ZINC000663537178 493595138 /nfs/dbraw/zinc/59/51/38/493595138.db2.gz WJKHMVBDELKEPY-QWRGUYRKSA-N -1 3 359.473 0.834 10 0 FCAEHM CN(C)[C@@]1(CNC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)CCSC1 ZINC000663621996 493605459 /nfs/dbraw/zinc/60/54/59/493605459.db2.gz TZJHDQYWOXTDJM-BLLLJJGKSA-N -1 3 357.476 0.157 10 0 FCAEHM CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663629380 493606943 /nfs/dbraw/zinc/60/69/43/493606943.db2.gz JAOCHZZUHWEASE-QLFBSQMISA-N -1 3 351.447 0.689 10 0 FCAEHM O=C([O-])[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1)C1CCC1 ZINC000663633357 493607342 /nfs/dbraw/zinc/60/73/42/493607342.db2.gz PGYNGOORQREDKS-CABCVRRESA-N -1 3 351.447 0.690 10 0 FCAEHM COCCC1CN(C(=O)NCc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)C1 ZINC000663919219 493625793 /nfs/dbraw/zinc/62/57/93/493625793.db2.gz JLQOENZBZRGADY-SFHVURJKSA-N -1 3 360.414 0.919 10 0 FCAEHM C[C@@]1(c2ccc(CNC(=O)N[C@H](CO)C3CCC3)cc2)NC(=O)[N-]C1=O ZINC000663919370 493625818 /nfs/dbraw/zinc/62/58/18/493625818.db2.gz NNDSWLJYXJPAJF-KDOFPFPSSA-N -1 3 360.414 0.701 10 0 FCAEHM COc1ccc(S(=O)(=O)N[C@@H]2C[C@H]2C)cc1[C@@]1(C)NC(=O)[N-]C1=O ZINC000671188173 493648352 /nfs/dbraw/zinc/64/83/52/493648352.db2.gz KQIXYBOOMOIZGR-BGFNQPPGSA-N -1 3 353.400 0.437 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NC1(CCO)CCOCC1 ZINC000679403273 493678245 /nfs/dbraw/zinc/67/82/45/493678245.db2.gz QOEUYUUVIJCYBD-LLVKDONJSA-N -1 3 362.473 0.463 10 0 FCAEHM C[C@@H]([N-]S(C)(=O)=O)c1nc(-c2ccc(N3CCN(C)CC3)cn2)no1 ZINC000664941403 493691374 /nfs/dbraw/zinc/69/13/74/493691374.db2.gz PABCOYVGOOZOBD-LLVKDONJSA-N -1 3 366.447 0.494 10 0 FCAEHM O=C1CN(Cc2nc(-c3ccc(N4CCCNC4=O)cc3)no2)C(=O)[N-]1 ZINC000665048194 493697307 /nfs/dbraw/zinc/69/73/07/493697307.db2.gz JNERPBZAUMNGNR-UHFFFAOYSA-N -1 3 356.342 0.708 10 0 FCAEHM CS(=O)(=O)CCCS(=O)(=O)[N-][C@@H]1COc2cc(F)cc(F)c21 ZINC000680107791 493707793 /nfs/dbraw/zinc/70/77/93/493707793.db2.gz MQYFHIJMYUPHCN-SNVBAGLBSA-N -1 3 355.384 0.752 10 0 FCAEHM O=C([O-])[C@@H](CNC(=O)NCC(=O)NCCN1CCCCCC1)C1CCC1 ZINC000665319525 493709248 /nfs/dbraw/zinc/70/92/48/493709248.db2.gz UUTGDCCQOMLXHG-HNNXBMFYSA-N -1 3 368.478 0.779 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCCCC[C@H]2CCO)cn1C ZINC000671900018 493712351 /nfs/dbraw/zinc/71/23/51/493712351.db2.gz YVEUYUMTBGMNDK-ZDUSSCGKSA-N -1 3 358.464 0.160 10 0 FCAEHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCCNC2=O)c1 ZINC000680431393 493716750 /nfs/dbraw/zinc/71/67/50/493716750.db2.gz VNGBXASILNRVCU-ZDUSSCGKSA-N -1 3 358.354 0.949 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)NC1(CCO)CCOCC1 ZINC000680935096 493737800 /nfs/dbraw/zinc/73/78/00/493737800.db2.gz TZDGTNLPKDMTKN-UHFFFAOYSA-N -1 3 374.434 0.542 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCc3nc[nH]c3C2)s1 ZINC000665892375 493743047 /nfs/dbraw/zinc/74/30/47/493743047.db2.gz JWSJYMMBAFFZPS-SECBINFHSA-N -1 3 354.457 0.801 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCc3[nH]cnc3C2)s1 ZINC000665892375 493743050 /nfs/dbraw/zinc/74/30/50/493743050.db2.gz JWSJYMMBAFFZPS-SECBINFHSA-N -1 3 354.457 0.801 10 0 FCAEHM O=C(NCc1noc(-c2cccc(F)c2)n1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000665909899 493744076 /nfs/dbraw/zinc/74/40/76/493744076.db2.gz SQTMUSJIWIBNKP-LLVKDONJSA-N -1 3 374.332 0.321 10 0 FCAEHM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412291868 527960313 /nfs/dbraw/zinc/96/03/13/527960313.db2.gz SSRNZSPRQPLMAR-ZJUUUORDSA-N -1 3 350.371 0.781 10 0 FCAEHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCO[C@H]([C@H](C)O)C1 ZINC000411960027 528275319 /nfs/dbraw/zinc/27/53/19/528275319.db2.gz VYKZHZXMHFIZDI-ONGXEEELSA-N -1 3 356.400 0.472 10 0 FCAEHM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC[C@@H]1CCOC1 ZINC000444204738 536117961 /nfs/dbraw/zinc/11/79/61/536117961.db2.gz JFNIXEUCIVRYRB-GFCCVEGCSA-N -1 3 362.473 0.642 10 0 FCAEHM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]Cc1ccn(C)n1 ZINC000444211734 536119355 /nfs/dbraw/zinc/11/93/55/536119355.db2.gz LCFPWRMQKRNMEC-UHFFFAOYSA-N -1 3 358.445 0.149 10 0 FCAEHM CNS(=O)(=O)NCC(=O)Nc1c(C)c(Br)ccc1[O-] ZINC000452760916 536301017 /nfs/dbraw/zinc/30/10/17/536301017.db2.gz WVNZQELJYWXZMZ-UHFFFAOYSA-N -1 3 352.210 0.455 10 0 FCAEHM COC[C@](C)(O)CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000452338252 536643660 /nfs/dbraw/zinc/64/36/60/536643660.db2.gz BJBYGEZYQREVKW-XHDPSFHLSA-N -1 3 362.423 0.396 10 0 FCAEHM COC[C@](C)(O)CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000452350548 536644081 /nfs/dbraw/zinc/64/40/81/536644081.db2.gz YJLIDZUTXSWSNQ-GXFFZTMASA-N -1 3 350.462 0.319 10 0 FCAEHM CO[C@@H](C)[C@H](C)NC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000441098625 536887295 /nfs/dbraw/zinc/88/72/95/536887295.db2.gz CJUXHLDHKVHOMI-UWVGGRQHSA-N -1 3 365.402 0.966 10 0 FCAEHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]CCCc1ncn(C)n1 ZINC000592068793 546606308 /nfs/dbraw/zinc/60/63/08/546606308.db2.gz GAVPCLBNTJKWKK-UHFFFAOYSA-N -1 3 356.379 0.652 10 0 FCAEHM COC(=O)c1csc(S(=O)(=O)[N-]Cc2ncc3c(n2)CCOC3)c1 ZINC000593626895 546723293 /nfs/dbraw/zinc/72/32/93/546723293.db2.gz LENVENOBQDWOCP-UHFFFAOYSA-N -1 3 369.424 0.876 10 0 FCAEHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]CC[C@@]1(O)CCOC1 ZINC000593634968 546725089 /nfs/dbraw/zinc/72/50/89/546725089.db2.gz GNMVSTWQICPIAA-CQSZACIVSA-N -1 3 363.819 0.946 10 0 FCAEHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000593720372 546745525 /nfs/dbraw/zinc/74/55/25/546745525.db2.gz KKCKYBRAEGYLHG-GHMZBOCLSA-N -1 3 368.411 0.878 10 0 FCAEHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]C[C@@](C)(CO)OC ZINC000594483830 546795951 /nfs/dbraw/zinc/79/59/51/546795951.db2.gz GHYLJIGTDOUPTA-ZDUSSCGKSA-N -1 3 351.808 0.802 10 0 FCAEHM CCOC(=O)c1ccc(C[N-]S(=O)(=O)C[C@@H](OC)[C@H]2CCOC2)o1 ZINC000594763604 546820210 /nfs/dbraw/zinc/82/02/10/546820210.db2.gz VYJTZXUHBYDXQQ-SMDDNHRTSA-N -1 3 361.416 0.927 10 0 FCAEHM CC[C@@H]([N-]S(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2)C(=O)OC ZINC000594763473 546820384 /nfs/dbraw/zinc/82/03/84/546820384.db2.gz SFEIJYQBLIGMOW-LLVKDONJSA-N -1 3 360.457 0.883 10 0 FCAEHM COC(=O)c1nscc1S(=O)(=O)[N-]C[C@H](OC)[C@@H]1CCOC1 ZINC000594805050 546828609 /nfs/dbraw/zinc/82/86/09/546828609.db2.gz RWADSXMJZRDFML-BDAKNGLRSA-N -1 3 350.418 0.260 10 0 FCAEHM COc1nnc(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2C)[n-]1 ZINC000490722771 546990820 /nfs/dbraw/zinc/99/08/20/546990820.db2.gz VOVUAQBBCGGYLM-UHFFFAOYSA-N -1 3 351.388 0.914 10 0 FCAEHM COc1nc(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2C)n[n-]1 ZINC000490722771 546990825 /nfs/dbraw/zinc/99/08/25/546990825.db2.gz VOVUAQBBCGGYLM-UHFFFAOYSA-N -1 3 351.388 0.914 10 0 FCAEHM COc1n[n-]c(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2C)n1 ZINC000490722771 546990828 /nfs/dbraw/zinc/99/08/28/546990828.db2.gz VOVUAQBBCGGYLM-UHFFFAOYSA-N -1 3 351.388 0.914 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)c2cn(Cc3cccs3)nn2)nc1=N ZINC000550135261 547080128 /nfs/dbraw/zinc/08/01/28/547080128.db2.gz VSZOXSQJIIIQFS-GFCCVEGCSA-N -1 3 358.431 0.906 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000552140307 547189620 /nfs/dbraw/zinc/18/96/20/547189620.db2.gz RUKWTAXPOOWFMO-NSHDSACASA-N -1 3 351.450 0.384 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@H]2CCCN(C)C2=O)c(Br)n1 ZINC000866915765 665159060 /nfs/dbraw/zinc/15/90/60/665159060.db2.gz NDFVBIBTQKPIRU-ZETCQYMHSA-N -1 3 351.226 0.082 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]C[C@H](O)COCC2CC2)c(Br)n1 ZINC000866839068 663137207 /nfs/dbraw/zinc/13/72/07/663137207.db2.gz UHWLBFBESRHOSG-VIFPVBQESA-N -1 3 368.253 0.248 10 0 FCAEHM C[C@H](CCO)[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866851104 663145383 /nfs/dbraw/zinc/14/53/83/663145383.db2.gz HRDBJDBDEBMMEW-ZCFIWIBFSA-N -1 3 359.189 0.074 10 0 FCAEHM CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436518690 665983554 /nfs/dbraw/zinc/98/35/54/665983554.db2.gz SGPUZRJMWYZMAM-ONGXEEELSA-N -1 3 356.400 0.569 10 0 FCAEHM CCc1nncn1CC[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000866891672 664287929 /nfs/dbraw/zinc/28/79/29/664287929.db2.gz MDIVEUOCWJTWSH-UHFFFAOYSA-N -1 3 363.241 0.315 10 0 FCAEHM CC[C@@H](O)CC[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866969425 665295624 /nfs/dbraw/zinc/29/56/24/665295624.db2.gz WUZDCSZQKRTUJK-SSDOTTSWSA-N -1 3 373.216 0.464 10 0 FCAEHM CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)c2cc3c(cc2[O-])OCO3)C1 ZINC000436805591 666033806 /nfs/dbraw/zinc/03/38/06/666033806.db2.gz XXMBJTQVLYEYOB-SNVBAGLBSA-N -1 3 371.415 0.122 10 0 FCAEHM C[C@@]1(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)CCCS1(=O)=O ZINC000906990660 666086635 /nfs/dbraw/zinc/08/66/35/666086635.db2.gz GWHUKMPZTKNURH-KRWDZBQOSA-N -1 3 366.439 0.644 10 0 FCAEHM CN1CCN(c2cc(C(=O)NCc3cc(=O)[n-]c(=S)[nH]3)ccn2)CC1 ZINC000911854776 666378825 /nfs/dbraw/zinc/37/88/25/666378825.db2.gz NPMNIYFOAYNMTG-UHFFFAOYSA-N -1 3 360.443 0.548 10 0 FCAEHM CN1CCOC[C@@]1(CO)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000921339338 666436766 /nfs/dbraw/zinc/43/67/66/666436766.db2.gz BVVLSXKOKOMBQO-ZDUSSCGKSA-N -1 3 369.270 0.965 10 0 FCAEHM CO[C@@]1(C[N-]S(=O)(=O)c2ccc(Cl)s2)CCS(=O)(=O)C1 ZINC000921465898 666449241 /nfs/dbraw/zinc/44/92/41/666449241.db2.gz PVPVRAHPYBNHRG-SNVBAGLBSA-N -1 3 359.878 0.884 10 0 FCAEHM COC(=O)C1CCC(S(=O)(=O)[N-][C@@]2(C(=O)OC)CCSC2)CC1 ZINC000914301519 666737031 /nfs/dbraw/zinc/73/70/31/666737031.db2.gz AJDCITSOAPCQOT-MGULZYLOSA-N -1 3 365.473 0.686 10 0 FCAEHM COCCO[C@@H]1COCC[C@H]1[N-]S(=O)(=O)Cc1noc2c1CCCC2 ZINC000914396364 666750518 /nfs/dbraw/zinc/75/05/18/666750518.db2.gz OUOJTCZCZLKFOE-CZUORRHYSA-N -1 3 374.459 0.793 10 0 FCAEHM CN1C(=O)C[C@H]([N-]S(=O)(=O)C2(COCc3ccccc3)CC2)C1=O ZINC000915323247 666842626 /nfs/dbraw/zinc/84/26/26/666842626.db2.gz YXNSCIYYZYFCOD-ZDUSSCGKSA-N -1 3 352.412 0.413 10 0 FCAEHM CC[S@@](=O)CCNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000733967165 666945963 /nfs/dbraw/zinc/94/59/63/666945963.db2.gz WHWBRROYASOIDN-LJQANCHMSA-N -1 3 358.894 0.565 10 0 FCAEHM O=C(Cn1cccnc1=O)N[N-]C(=O)c1ccccc1Br ZINC000032642004 666984269 /nfs/dbraw/zinc/98/42/69/666984269.db2.gz HKCZOZBCPMCIIF-UHFFFAOYSA-N -1 3 351.160 0.467 10 0 FCAEHM CC[C@H]([N-]S(=O)(=O)c1cnn2c1OCC(C)(C)C2)[C@H](O)C(F)F ZINC000916033591 666988853 /nfs/dbraw/zinc/98/88/53/666988853.db2.gz ZMROAHVMZTVDAN-WPRPVWTQSA-N -1 3 353.391 0.985 10 0 FCAEHM O=S(=O)(Cc1c(F)cccc1F)[N-][C@@H](CO)CN1CCOCC1 ZINC000918981003 667145929 /nfs/dbraw/zinc/14/59/29/667145929.db2.gz PQLGLILCHXNOLJ-LLVKDONJSA-N -1 3 350.387 0.077 10 0 FCAEHM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]C[C@H]1CCC2(CCOCC2)O1 ZINC000921675098 667221574 /nfs/dbraw/zinc/22/15/74/667221574.db2.gz RPUVTYHCJKIXJP-WSVYEEACSA-N -1 3 355.482 0.123 10 0 FCAEHM COC[C@H](CS(=O)(=O)[N-]CC(=O)N1CCCCc2ccccc21)OC ZINC000921685878 667245270 /nfs/dbraw/zinc/24/52/70/667245270.db2.gz BJTAFYCZTOUYDW-OAHLLOKOSA-N -1 3 370.471 0.937 10 0 FCAEHM COC(=O)CC1CC([N-]S(=O)(=O)c2cnn(C)c2Br)C1 ZINC000921178550 667271140 /nfs/dbraw/zinc/27/11/40/667271140.db2.gz LVNKCVFAAFFLKH-UHFFFAOYSA-N -1 3 366.237 0.803 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@@H]1CON(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000921756918 667475701 /nfs/dbraw/zinc/47/57/01/667475701.db2.gz ZNNRGCGLUFPVRS-NWDGAFQWSA-N -1 3 350.437 0.882 10 0 FCAEHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]CC2(C)OCCCO2)s1 ZINC000752826200 667530037 /nfs/dbraw/zinc/53/00/37/667530037.db2.gz KKUBGZIPKHIWJO-UHFFFAOYSA-N -1 3 365.429 0.975 10 0 FCAEHM COc1ccc([O-])c(S(=O)(=O)NC[C@@H]2CCN2C2CCOCC2)c1 ZINC000921911267 667540061 /nfs/dbraw/zinc/54/00/61/667540061.db2.gz OAOPEDLDPHDUMG-ZDUSSCGKSA-N -1 3 356.444 0.932 10 0 FCAEHM Cn1nccc1[C@H](O)C[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000921967956 667556297 /nfs/dbraw/zinc/55/62/97/667556297.db2.gz UMAVLJQNPBRBNX-SNVBAGLBSA-N -1 3 350.322 0.846 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)OCc1cc(C(F)(F)F)n(C)n1 ZINC000922526277 667662187 /nfs/dbraw/zinc/66/21/87/667662187.db2.gz RLPDJBTYNBXEHY-UHFFFAOYSA-N -1 3 373.353 0.438 10 0 FCAEHM CNC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867016376 667717842 /nfs/dbraw/zinc/71/78/42/667717842.db2.gz OUFLNENEVSCZPH-QMMMGPOBSA-N -1 3 367.269 0.622 10 0 FCAEHM C[C@@H](CC(=O)N[C@]12C[C@H]1COC2)[N-]S(=O)(=O)c1cccnc1Cl ZINC000923362573 667829049 /nfs/dbraw/zinc/82/90/49/667829049.db2.gz ZMLWQJTWNSIZPT-BHDSKKPTSA-N -1 3 359.835 0.697 10 0 FCAEHM C[C@@H](CC(=O)NCc1ccnn1C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000760357239 667845811 /nfs/dbraw/zinc/84/58/11/667845811.db2.gz RXPOJZLHBSBSCI-JTQLQIEISA-N -1 3 371.850 0.842 10 0 FCAEHM Cn1ncc(CNC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)n1 ZINC000805214365 667869437 /nfs/dbraw/zinc/86/94/37/667869437.db2.gz ZPCBHYMQJYAZTN-UHFFFAOYSA-N -1 3 369.422 0.961 10 0 FCAEHM Cc1cc(=O)[n-]c(CN2CCN(S(=O)(=O)CCOC(C)C)CC2)n1 ZINC000761887057 667896886 /nfs/dbraw/zinc/89/68/86/667896886.db2.gz JUHUXBMFNFGQSP-UHFFFAOYSA-N -1 3 358.464 0.363 10 0 FCAEHM Cc1cc(C)[n-]c(=NNS(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)n1 ZINC000763274832 667948074 /nfs/dbraw/zinc/94/80/74/667948074.db2.gz LQOSEQQJXHKSFR-UHFFFAOYSA-N -1 3 368.440 0.729 10 0 FCAEHM C[C@@H](CO[N-]C(=O)C[C@@H]1CCS(=O)(=O)C1)NC(=O)OC(C)(C)C ZINC000767162692 668046223 /nfs/dbraw/zinc/04/62/23/668046223.db2.gz XYNLXXQHBJVVOK-QWRGUYRKSA-N -1 3 350.437 0.772 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)O[C@H](C)c1nc(C(C)(C)C)no1 ZINC000767375655 668050860 /nfs/dbraw/zinc/05/08/60/668050860.db2.gz SSQHRXGQDMKIQN-SNVBAGLBSA-N -1 3 363.436 0.927 10 0 FCAEHM O=C(c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)N1CCOC[C@@H]1CCO ZINC000769064673 668113387 /nfs/dbraw/zinc/11/33/87/668113387.db2.gz YPJSQHZJEBGRHI-ZDUSSCGKSA-N -1 3 372.418 0.490 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)O[C@@H]2CCNC2=O)c1Cl ZINC000770034790 668168913 /nfs/dbraw/zinc/16/89/13/668168913.db2.gz ZBUPAVYCLQCYKZ-SSDOTTSWSA-N -1 3 367.210 0.947 10 0 FCAEHM C[C@H](CC(=O)N1CC(CCO)C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000775821905 668232732 /nfs/dbraw/zinc/23/27/32/668232732.db2.gz IUJHXRBUHQUUBP-SNVBAGLBSA-N -1 3 361.851 0.633 10 0 FCAEHM CC(C)[C@@H](O)CNC(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000771604048 668261169 /nfs/dbraw/zinc/26/11/69/668261169.db2.gz ZAHKBHFZONBVJT-QWRGUYRKSA-N -1 3 363.867 0.925 10 0 FCAEHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)O[C@@H]1CC[C@@H](S(C)(=O)=O)C1 ZINC000771619674 668263128 /nfs/dbraw/zinc/26/31/28/668263128.db2.gz PHFKVEZEDFICKG-GMTAPVOTSA-N -1 3 355.478 0.459 10 0 FCAEHM COCCO[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000776802878 668294154 /nfs/dbraw/zinc/29/41/54/668294154.db2.gz RYNOMFMTIJOTAE-GHMZBOCLSA-N -1 3 367.855 0.481 10 0 FCAEHM O=C(CN1CCS(=O)(=O)CC1)OCc1noc(-c2ccccc2[O-])n1 ZINC000782864078 668584724 /nfs/dbraw/zinc/58/47/24/668584724.db2.gz XIJRLVSWWSQHTD-UHFFFAOYSA-N -1 3 367.383 0.216 10 0 FCAEHM CC(C)(NS(C)(=O)=O)C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000784047662 668640955 /nfs/dbraw/zinc/64/09/55/668640955.db2.gz KEUBEIDFIYYSNY-UHFFFAOYSA-N -1 3 355.372 0.813 10 0 FCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000785310014 668705295 /nfs/dbraw/zinc/70/52/95/668705295.db2.gz QWUAZVOAJGEDEB-RKDXNWHRSA-N -1 3 363.823 0.470 10 0 FCAEHM CS(=O)(=O)c1cccnc1C[N-]S(=O)(=O)c1ccccc1C=O ZINC000785335179 668707017 /nfs/dbraw/zinc/70/70/17/668707017.db2.gz FGVHPFCFGMGEAX-UHFFFAOYSA-N -1 3 354.409 0.776 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)c1nnnn1C1CC1 ZINC000790936762 668884054 /nfs/dbraw/zinc/88/40/54/668884054.db2.gz ITXACSNNJGYWSF-VIFPVBQESA-N -1 3 371.444 0.451 10 0 FCAEHM C[C@H](CC(=O)Nc1cn(C)nn1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000794603993 668985799 /nfs/dbraw/zinc/98/57/99/668985799.db2.gz AMHDZKFGGMBAIK-MRVPVSSYSA-N -1 3 358.811 0.559 10 0 FCAEHM C[C@H](O)[C@H]([N-]S(=O)(=O)c1cscn1)C(=O)OCc1ccccc1 ZINC000827644225 669587240 /nfs/dbraw/zinc/58/72/40/669587240.db2.gz QPNGSFDBGJELRW-GWCFXTLKSA-N -1 3 356.425 0.914 10 0 FCAEHM CCN(OC)C(=O)C[N-]S(=O)(=O)CC1(C(=O)OC)CCCCC1 ZINC000828163682 669621228 /nfs/dbraw/zinc/62/12/28/669621228.db2.gz CJEDCAUNXLNRCZ-UHFFFAOYSA-N -1 3 350.437 0.439 10 0 FCAEHM CNC(=O)[C@H](O)C[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000809837841 669644039 /nfs/dbraw/zinc/64/40/39/669644039.db2.gz JZQKXRXXVUZDIN-SSDOTTSWSA-N -1 3 371.640 0.488 10 0 FCAEHM Cn1c(CO)nn(CN2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1=S ZINC000811785896 669771387 /nfs/dbraw/zinc/77/13/87/669771387.db2.gz JVHWWXMAOAASGB-SECBINFHSA-N -1 3 367.397 0.791 10 0 FCAEHM Cc1cc(=O)[n-]c(CN(C)CCOc2ccc(S(N)(=O)=O)cc2)n1 ZINC000814650017 669890391 /nfs/dbraw/zinc/89/03/91/669890391.db2.gz JBZRYJACCSCCBJ-UHFFFAOYSA-N -1 3 352.416 0.649 10 0 FCAEHM C[C@@H](O)C[C@@H](C)[N-]S(=O)(=O)c1cnn(C)c1I ZINC000867090786 669933305 /nfs/dbraw/zinc/93/33/05/669933305.db2.gz RRYABYQWSJZADY-RNFRBKRXSA-N -1 3 373.216 0.462 10 0 FCAEHM COc1ccc(S(=O)(=O)N(C)CCCC(=O)[N-]OCC(C)(C)O)cc1 ZINC000816381571 669955622 /nfs/dbraw/zinc/95/56/22/669955622.db2.gz PGUKNZIXGLEHBX-UHFFFAOYSA-N -1 3 374.459 0.915 10 0 FCAEHM COCCN(C)CC[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867146194 670018209 /nfs/dbraw/zinc/01/82/09/670018209.db2.gz ONRYURALYARZTL-UHFFFAOYSA-N -1 3 355.258 0.039 10 0 FCAEHM Cn1cc(C[N-]C(=O)C(F)(F)C(=O)N2CCOCC2)c(C(F)(F)F)n1 ZINC000836203222 670037699 /nfs/dbraw/zinc/03/76/99/670037699.db2.gz VZNCZQGJUNFEJO-UHFFFAOYSA-N -1 3 370.278 0.549 10 0 FCAEHM CC(C)(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]CC1(C)OCCCO1 ZINC000867187488 670056962 /nfs/dbraw/zinc/05/69/62/670056962.db2.gz NIZBEXMXVUQNRS-LBPRGKRZSA-N -1 3 364.464 0.780 10 0 FCAEHM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CCC[C@H]2CN(C(C)=O)C[C@@H]21 ZINC000867273295 670610378 /nfs/dbraw/zinc/61/03/78/670610378.db2.gz CLDDYGLBAIQJRX-AZZPWZESSA-N -1 3 351.494 0.586 10 0 FCAEHM COc1cc(C)[n-]c(=NNS(=O)(=O)C[C@H](OC)C2CCOCC2)n1 ZINC000842584553 670700888 /nfs/dbraw/zinc/70/08/88/670700888.db2.gz GZKJFGBCXJAVLR-LBPRGKRZSA-N -1 3 360.436 0.482 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CCCc2cnn(C)n2)c(Br)n1 ZINC000867309520 670751735 /nfs/dbraw/zinc/75/17/35/670751735.db2.gz SKIXQRIODOUDPU-UHFFFAOYSA-N -1 3 363.241 0.222 10 0 FCAEHM COC[C@@](C)(O)CC[N-]S(=O)(=O)c1cnn(C)c1Br ZINC000867321314 670779233 /nfs/dbraw/zinc/77/92/33/670779233.db2.gz WMSIXHSULZUABU-JTQLQIEISA-N -1 3 356.242 0.248 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCCCc2ncn(C)n2)ccc1F ZINC000843979602 670874683 /nfs/dbraw/zinc/87/46/83/670874683.db2.gz ZSPJGCWUUBTSNK-UHFFFAOYSA-N -1 3 355.395 0.225 10 0 FCAEHM CC[C@H]([N-]S(=O)(=O)c1cnn(C)c1I)[C@@H](C)O ZINC000867352768 670917728 /nfs/dbraw/zinc/91/77/28/670917728.db2.gz HIQYBYWFTRYKHB-RQJHMYQMSA-N -1 3 373.216 0.462 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@H]2C(=O)OCC2(C)C)c(Br)n1 ZINC000867383292 670989022 /nfs/dbraw/zinc/98/90/22/670989022.db2.gz YUKPABVORRQIKH-ZETCQYMHSA-N -1 3 352.210 0.413 10 0 FCAEHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]CC[C@]1(O)CCOC1 ZINC000845986765 671062062 /nfs/dbraw/zinc/06/20/62/671062062.db2.gz PXXVMFGMKRZCIT-ZDUSSCGKSA-N -1 3 364.807 0.341 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@H](CO)[C@@H]2CCCOC2)c(Br)n1 ZINC000867407527 671092667 /nfs/dbraw/zinc/09/26/67/671092667.db2.gz UPJDWIVIRPLRDB-RKDXNWHRSA-N -1 3 368.253 0.248 10 0 FCAEHM CO[C@H](C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)[C@@H]1CCOC1 ZINC000847098094 671171495 /nfs/dbraw/zinc/17/14/95/671171495.db2.gz KLACLGRTKYKHQK-NEPJUHHUSA-N -1 3 352.353 0.955 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CN(C3CC3)C(=O)O2)c(C)o1 ZINC000848366269 671272134 /nfs/dbraw/zinc/27/21/34/671272134.db2.gz QNLBOMXDMHHIJN-SNVBAGLBSA-N -1 3 357.388 0.209 10 0 FCAEHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@@H](C)Cn2cncn2)c1 ZINC000848434483 671274800 /nfs/dbraw/zinc/27/48/00/671274800.db2.gz JWXQNXQTLOJNLZ-JTQLQIEISA-N -1 3 356.379 0.879 10 0 FCAEHM CCON(C)C(=O)C[N-]S(=O)(=O)c1cc(C(=O)OC)cc(C)c1F ZINC000848461400 671278450 /nfs/dbraw/zinc/27/84/50/671278450.db2.gz YGKMLYBCVQNVRJ-UHFFFAOYSA-N -1 3 362.379 0.609 10 0 FCAEHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]C[C@](C)(CO)OC ZINC000848467389 671278949 /nfs/dbraw/zinc/27/89/49/671278949.db2.gz OFJOYHICXNICMZ-GFCCVEGCSA-N -1 3 352.796 0.197 10 0 FCAEHM CC(=O)Nc1ncc(S(=O)(=O)[N-]C[C@@H]2CN(C3CC3)C(=O)O2)s1 ZINC000848513112 671282886 /nfs/dbraw/zinc/28/28/86/671282886.db2.gz LVGJTIGUIOXSFR-SECBINFHSA-N -1 3 360.417 0.363 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2CN(C3CC3)C(=O)O2)c(F)c1 ZINC000848513649 671283169 /nfs/dbraw/zinc/28/31/69/671283169.db2.gz OLZHTLJXUQJXQN-LLVKDONJSA-N -1 3 372.374 0.874 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)OC[C@H](OC)[C@H]2CCOC2)ccc1F ZINC000849739372 671361282 /nfs/dbraw/zinc/36/12/82/671361282.db2.gz AYPDTYASBIPWSK-AAEUAGOBSA-N -1 3 361.391 0.942 10 0 FCAEHM COC(=O)CCN1CCC[C@H](OC(=O)c2c[n-]c(C(=O)OC)c2)C1=O ZINC000849782877 671363248 /nfs/dbraw/zinc/36/32/48/671363248.db2.gz IYSBYMXZNPMALU-LBPRGKRZSA-N -1 3 352.343 0.512 10 0 FCAEHM CC(=O)OCCCS(=O)(=O)[N-]C1(C(=O)OC(C)(C)C)CCOCC1 ZINC000851877702 671475671 /nfs/dbraw/zinc/47/56/71/671475671.db2.gz PJTWIPAZGADNST-UHFFFAOYSA-N -1 3 365.448 0.750 10 0 FCAEHM CN(C)C(=O)COc1ccc(C(F)(F)C(=O)[N-][C@H]2CCNC2=O)cc1 ZINC000855141917 671627375 /nfs/dbraw/zinc/62/73/75/671627375.db2.gz GFNQFJDKRCWWCX-LBPRGKRZSA-N -1 3 355.341 0.250 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@](CO)(OC)C2)ccc1F ZINC000855443983 671642963 /nfs/dbraw/zinc/64/29/63/671642963.db2.gz HGOSDBNRIIQLMJ-OAHLLOKOSA-N -1 3 360.407 0.347 10 0 FCAEHM C[C@@H](CC(=O)NC[C@@H]1CCC(=O)N1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000855934041 671670756 /nfs/dbraw/zinc/67/07/56/671670756.db2.gz WPBIAAHLXDAADC-UWVGGRQHSA-N -1 3 374.850 0.187 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N[C@@H]1C[C@H](O)c2ccccc21 ZINC000857318527 671724912 /nfs/dbraw/zinc/72/49/12/671724912.db2.gz QNUFPNBETMJMLI-KGLIPLIRSA-N -1 3 365.411 0.864 10 0 FCAEHM Cc1cc(S(=O)(=O)[N-]CC[C@H]2CNCCS2(=O)=O)sc1Cl ZINC000903539457 675940397 /nfs/dbraw/zinc/94/03/97/675940397.db2.gz IQWGFPSUGGKUTB-VIFPVBQESA-N -1 3 372.921 0.765 10 0 FCAEHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@@H](O)[C@H]2CCCO2)c1 ZINC000859286934 671810123 /nfs/dbraw/zinc/81/01/23/671810123.db2.gz JRBGCPWRXSHFIK-CHWSQXEVSA-N -1 3 361.391 0.821 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCCc2cnc(OC)nc2)ccc1F ZINC000863444457 672128175 /nfs/dbraw/zinc/12/81/75/672128175.db2.gz WLHGWCVVNHGKRI-UHFFFAOYSA-N -1 3 368.390 0.505 10 0 FCAEHM O=C(C[N-]S(=O)(=O)Cc1ncsc1Br)NC1CC1 ZINC000866425898 672272636 /nfs/dbraw/zinc/27/26/36/672272636.db2.gz PZGXLSQHRJHSOE-UHFFFAOYSA-N -1 3 354.251 0.604 10 0 FCAEHM CC[S@](C)(=O)=NS(=O)(=O)[N-]C1CCN(CC(F)(F)F)CC1 ZINC000866642481 672285425 /nfs/dbraw/zinc/28/54/25/672285425.db2.gz MJPNQPANFHQJLS-FQEVSTJZSA-N -1 3 351.416 0.965 10 0 FCAEHM CC[C@H](C[N-]S(=O)(=O)c1cn(C)nc1Br)C(=O)OC ZINC000867449143 672317229 /nfs/dbraw/zinc/31/72/29/672317229.db2.gz PXRAHSYWAVKTMJ-SSDOTTSWSA-N -1 3 354.226 0.660 10 0 FCAEHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cnn(C)c2Br)c2ncnn21 ZINC000867497572 672326275 /nfs/dbraw/zinc/32/62/75/672326275.db2.gz BOQMRLVLQLIBMW-BQBZGAKWSA-N -1 3 361.225 0.758 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-]C[C@@H](O)[C@H]2CCCO2)c1Br ZINC000867558184 672336715 /nfs/dbraw/zinc/33/67/15/672336715.db2.gz WOHVEMVANSHKER-HTQZYQBOSA-N -1 3 354.226 0.001 10 0 FCAEHM O=C(c1cc2c(cc1[O-])OCO2)N1CCO[C@@H](CN2CCOCC2)C1 ZINC000870063731 672465207 /nfs/dbraw/zinc/46/52/07/672465207.db2.gz UUADKKRTWVXPFR-LBPRGKRZSA-N -1 3 350.371 0.294 10 0 FCAEHM CO[C@H]1CCCN(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000928411115 673909006 /nfs/dbraw/zinc/90/90/06/673909006.db2.gz LWXVAEQXZYRBRD-VIFPVBQESA-N -1 3 367.880 0.822 10 0 FCAEHM Cc1nccn1CCNC(=O)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000929864207 673981131 /nfs/dbraw/zinc/98/11/31/673981131.db2.gz JXGUCPBCDJJWGV-UHFFFAOYSA-N -1 3 352.341 0.650 10 0 FCAEHM CC(C)OCCC(=O)N1CC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@@H]2C1 ZINC001719577687 1168164501 /nfs/dbraw/zinc/16/45/01/1168164501.db2.gz RYGOXQWZJDOBSA-KGLIPLIRSA-N -1 3 362.430 0.918 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C[C@H]1CNC(=O)C(F)F ZINC001719695700 1179455234 /nfs/dbraw/zinc/45/52/34/1179455234.db2.gz UVXOOLUIOYHKDT-PSASIEDQSA-N -1 3 365.336 0.660 10 0 FCAEHM COCC[C@H](C)C(=O)N1C[C@@H](CNC(=O)c2cnc[n-]c2=O)[C@H](C)C1 ZINC001719716843 1179745822 /nfs/dbraw/zinc/74/58/22/1179745822.db2.gz CSVXKJDTPMNJML-YNEHKIRRSA-N -1 3 350.419 0.679 10 0 FCAEHM COC(=O)NCC(=O)NCC[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC001719744096 1179859847 /nfs/dbraw/zinc/85/98/47/1179859847.db2.gz HLWGXDDILAQWLO-CHWSQXEVSA-N -1 3 363.414 0.963 10 0 FCAEHM CCN(CCNC(=O)c1cnc[n-]c1=O)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001745329026 1181995640 /nfs/dbraw/zinc/99/56/40/1181995640.db2.gz XYPGUPGMIQGTPJ-VXGBXAGGSA-N -1 3 358.402 0.298 10 0 FCAEHM CO[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O)C1CCC1 ZINC001719848479 1186361411 /nfs/dbraw/zinc/36/14/11/1186361411.db2.gz ZCLIFENMFVQKGE-UQOMUDLDSA-N -1 3 360.414 0.859 10 0 FCAEHM CCCN(C(=O)[C@]12C[C@H]1COC2)[C@H]1CCN(C(=O)c2cnc[n-]c2=O)C1 ZINC001745662774 1187470097 /nfs/dbraw/zinc/47/00/97/1187470097.db2.gz RSIUFUBTJPFPSR-LXIYXOSZSA-N -1 3 360.414 0.672 10 0 FCAEHM CCn1cnc2c1CCN(C(=O)NCc1nc3c(c(=O)[n-]1)COCC3)C2 ZINC001687390721 1188352104 /nfs/dbraw/zinc/35/21/04/1188352104.db2.gz HXEIJFRUURZBCJ-UHFFFAOYSA-N -1 3 358.402 0.739 10 0 FCAEHM CN1CCN(c2cccc(C(=O)N3CCC[C@@H](c4nnn[n-]4)C3)n2)CC1 ZINC000553394513 1193994215 /nfs/dbraw/zinc/99/42/15/1193994215.db2.gz QBABNBBWXIXINJ-CYBMUJFWSA-N -1 3 356.434 0.366 10 0 FCAEHM CN1CCN(c2cccc(C(=O)N3CCC[C@@H](c4nn[n-]n4)C3)n2)CC1 ZINC000553394513 1193994218 /nfs/dbraw/zinc/99/42/18/1193994218.db2.gz QBABNBBWXIXINJ-CYBMUJFWSA-N -1 3 356.434 0.366 10 0 FCAEHM COC(=O)N1CCC(C(=O)N2CCN(c3nc(C)cc(=O)[n-]3)CC2)CC1 ZINC000899496124 1194162259 /nfs/dbraw/zinc/16/22/59/1194162259.db2.gz YXWGZNVTEOEJFK-UHFFFAOYSA-N -1 3 363.418 0.618 10 0 FCAEHM COCCCn1cc(C(=O)N2CCN(c3nc(C)cc(=O)[n-]3)CC2)cn1 ZINC000899494957 1194162343 /nfs/dbraw/zinc/16/23/43/1194162343.db2.gz OGKLNMYAAXWQQN-UHFFFAOYSA-N -1 3 360.418 0.686 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)[C@H]3CCCN(C(=O)C4CC4)C3)CC2)n1 ZINC000899499894 1194164011 /nfs/dbraw/zinc/16/40/11/1194164011.db2.gz IQGYAJNIULZDNM-HNNXBMFYSA-N -1 3 373.457 0.788 10 0 FCAEHM C[C@@]1(C(=O)[O-])CN(C(=O)CCN2CCN(c3ccccc3)CC2)CCO1 ZINC000910322643 1195812139 /nfs/dbraw/zinc/81/21/39/1195812139.db2.gz JDAIHMPBPZEEHK-IBGZPJMESA-N -1 3 361.442 0.901 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CC(N2CCOCC2)C1 ZINC000911645261 1196305448 /nfs/dbraw/zinc/30/54/48/1196305448.db2.gz WHZVLAXDHPOSJG-MRXNPFEDSA-N -1 3 359.426 0.540 10 0 FCAEHM CSc1nc(CNC(=O)c2ccnc(N3CCN(C)CC3)c2)cc(=O)[n-]1 ZINC000912251901 1196337105 /nfs/dbraw/zinc/33/71/05/1196337105.db2.gz VVQQSTMHLSBYLY-UHFFFAOYSA-N -1 3 374.470 0.981 10 0 FCAEHM Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)NCCCc1c[n-][nH]c1=O ZINC001168402620 1196639959 /nfs/dbraw/zinc/63/99/59/1196639959.db2.gz FAXCJANUVGVDGT-CABCVRRESA-N -1 3 355.402 0.394 10 0 FCAEHM CC1CCC2(CC1)NC(=O)N(CC(=O)NCCCc1c[n-][nH]c1=O)C2=O ZINC001168404418 1196718588 /nfs/dbraw/zinc/71/85/88/1196718588.db2.gz LFRVUWXKZHWMKT-JKGQDXBKSA-N -1 3 363.418 0.115 10 0 FCAEHM CNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000744724784 1198326623 /nfs/dbraw/zinc/32/66/23/1198326623.db2.gz LYDYTVDAOIBOAF-ZYHUDNBSSA-N -1 3 363.370 0.384 10 0 FCAEHM O=C(COc1ccc(CCNC(=O)c2cnncc2[O-])cc1)NC1CC1 ZINC001136332221 1203185408 /nfs/dbraw/zinc/18/54/08/1203185408.db2.gz BXRSAWWAHMIOGO-UHFFFAOYSA-N -1 3 356.382 0.812 10 0 FCAEHM Cn1cnc(CCCNC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])n1 ZINC000843977381 1203327740 /nfs/dbraw/zinc/32/77/40/1203327740.db2.gz GHFFKVHXOPGIHR-UHFFFAOYSA-N -1 3 372.360 0.365 10 0 FCAEHM Cn1cnc(CCCNC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)n1 ZINC000843977381 1203327741 /nfs/dbraw/zinc/32/77/41/1203327741.db2.gz GHFFKVHXOPGIHR-UHFFFAOYSA-N -1 3 372.360 0.365 10 0 FCAEHM Cc1cc(=O)[n-]c(CNC(=O)[C@@H](O)[C@@](O)(c2ccccc2)C(F)(F)F)n1 ZINC001144555274 1204549229 /nfs/dbraw/zinc/54/92/29/1204549229.db2.gz BOXJWHBBSSQWQA-HIFRSBDPSA-N -1 3 371.315 0.918 10 0 FCAEHM Nc1nn2c([n-]1)nc(CN[C@H](c1ccncc1)C1(CO)CCC1)cc2=O ZINC001174890195 1206297304 /nfs/dbraw/zinc/29/73/04/1206297304.db2.gz DPZRGMMHTCHEPA-CQSZACIVSA-N -1 3 355.402 0.388 10 0 FCAEHM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1cnn(-c2ccncc2)c1 ZINC001175214685 1206301933 /nfs/dbraw/zinc/30/19/33/1206301933.db2.gz RPLLENQMPSVJTE-UHFFFAOYSA-N -1 3 352.354 0.766 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)c3nnc4ccccc4n3)CC2)n1 ZINC001178039366 1206352074 /nfs/dbraw/zinc/35/20/74/1206352074.db2.gz QUXJLNAQZGEFSL-UHFFFAOYSA-N -1 3 351.370 0.791 10 0 FCAEHM COC(=O)c1cc(NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)c([O-])c(OC)c1 ZINC001179884361 1206386612 /nfs/dbraw/zinc/38/66/12/1206386612.db2.gz UTNZIMWQRWUGPZ-JTQLQIEISA-N -1 3 374.353 0.902 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccc(N2CCNC2=O)cc1 ZINC001180027148 1206388005 /nfs/dbraw/zinc/38/80/05/1206388005.db2.gz FIIDVVYLMXGDML-CYBMUJFWSA-N -1 3 368.397 0.721 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)[C@H]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC001180029057 1206388017 /nfs/dbraw/zinc/38/80/17/1206388017.db2.gz YABGMCFWDALFPS-YIYPIFLZSA-N -1 3 359.430 0.572 10 0 FCAEHM Cn1ccc(-c2cc(C(=O)N[C@@H]3CCN(c4cc(=O)[n-]cn4)C3)[nH]n2)c1 ZINC001180028638 1206388023 /nfs/dbraw/zinc/38/80/23/1206388023.db2.gz SUGUPMVXIOIAPS-GFCCVEGCSA-N -1 3 353.386 0.920 10 0 FCAEHM O=C(CNC(=O)c1cccc(F)c1)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001180028448 1206388103 /nfs/dbraw/zinc/38/81/03/1206388103.db2.gz QXMHDKGSTCCULJ-ZDUSSCGKSA-N -1 3 359.361 0.446 10 0 FCAEHM CC(C)n1cc(CNC(=O)CNC(=O)c2ccc([O-])cc2)c(=O)[nH]c1=O ZINC001184491863 1206471417 /nfs/dbraw/zinc/47/14/17/1206471417.db2.gz ZLKSMNWGNGKQPR-UHFFFAOYSA-N -1 3 360.370 0.282 10 0 FCAEHM C[C@@H]1CC[C@@](CO)(NCc2cc(=O)n3nc(N)[n-]c3n2)c2ccccc21 ZINC001198695419 1208279147 /nfs/dbraw/zinc/27/91/47/1208279147.db2.gz OCPHYTQWKQDQJL-ZMZPIMSZSA-N -1 3 354.414 0.875 10 0 FCAEHM C[C@@H]1CC[C@](CO)(NCc2cc(=O)n3nc(N)[n-]c3n2)c2ccccc21 ZINC001198695416 1208279287 /nfs/dbraw/zinc/27/92/87/1208279287.db2.gz OCPHYTQWKQDQJL-ADLMAVQZSA-N -1 3 354.414 0.875 10 0 FCAEHM CC[C@H](C)OCC(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]2C1 ZINC001489181248 1208649550 /nfs/dbraw/zinc/64/95/50/1208649550.db2.gz GDVHKHBJKXMKTH-MJBXVCDLSA-N -1 3 351.451 0.204 10 0 FCAEHM CCCNC(=O)CN1CC[C@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)[C@H]1C ZINC001489295394 1208725974 /nfs/dbraw/zinc/72/59/74/1208725974.db2.gz SYOWYKOVIYKBKL-RISCZKNCSA-N -1 3 361.446 0.778 10 0 FCAEHM Cc1nc(C)c(CC(=O)N[C@H]2CCN(CC(=O)NC(C)C)[C@@H]2C)c(=O)[n-]1 ZINC001489308942 1208744328 /nfs/dbraw/zinc/74/43/28/1208744328.db2.gz GJUSJQHQHORPEQ-DOMZBBRYSA-N -1 3 363.462 0.445 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)CCN1CCOC1CCC1 ZINC001489276406 1208754459 /nfs/dbraw/zinc/75/44/59/1208754459.db2.gz OQWAOTZXNUARIZ-YPMHNXCESA-N -1 3 365.434 0.364 10 0 FCAEHM CCOCCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001489464057 1208847709 /nfs/dbraw/zinc/84/77/09/1208847709.db2.gz UUUVDPNYKHQNRX-MBNYWOFBSA-N -1 3 366.418 0.201 10 0 FCAEHM CCCC(C)(C)C(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@H](OC)C1 ZINC001489528207 1208883100 /nfs/dbraw/zinc/88/31/00/1208883100.db2.gz MWUHFJMMGGRRMX-CHWSQXEVSA-N -1 3 350.419 0.964 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](NC(=O)[C@H](C)C(C)(F)F)[C@@H](O)C1 ZINC001489628940 1209061813 /nfs/dbraw/zinc/06/18/13/1209061813.db2.gz WSCXJIWXUDCBBV-SFGNSQDASA-N -1 3 358.345 0.083 10 0 FCAEHM COC[C@H](C)C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)c1cnc[n-]c1=O ZINC001489953069 1209177994 /nfs/dbraw/zinc/17/79/94/1209177994.db2.gz WQUKUCTYVRJDKC-AGIUHOORSA-N -1 3 350.419 0.822 10 0 FCAEHM Cc1[nH]nc(C(=O)N2CC[C@@H]3CN(C(=O)CN(C)C(C)C)C[C@@H]3C2)c1[O-] ZINC001490041802 1209223348 /nfs/dbraw/zinc/22/33/48/1209223348.db2.gz OSCDLESVNWQBDV-KGLIPLIRSA-N -1 3 363.462 0.684 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)CNC(=O)c1cccs1 ZINC001490109472 1209235942 /nfs/dbraw/zinc/23/59/42/1209235942.db2.gz KXHSBWJXCWZSCL-ZJUUUORDSA-N -1 3 362.415 0.015 10 0 FCAEHM CC(=O)N[C@H](C)C(=O)N1CC[C@H](NC(=O)c2cccc3n[n-]nc32)[C@H]1C ZINC001490095273 1209253543 /nfs/dbraw/zinc/25/35/43/1209253543.db2.gz JQIIIMLQUXCQQG-BREBYQMCSA-N -1 3 358.402 0.202 10 0 FCAEHM COCCOCC(=O)N1C[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@]2(C)C1 ZINC001490205739 1209270392 /nfs/dbraw/zinc/27/03/92/1209270392.db2.gz NNZVKHVTDATGHK-KUHUBIRLSA-N -1 3 362.426 0.976 10 0 FCAEHM COC[C@H](OC)C(=O)N1C[C@@H](CNC(=O)c2ccccc2[O-])[C@H](C)C1 ZINC001490260561 1209305141 /nfs/dbraw/zinc/30/51/41/1209305141.db2.gz CPHYQRNJLUZRES-IOASZLSFSA-N -1 3 350.415 0.878 10 0 FCAEHM Cc1ccncc1CC(=O)NC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001490322284 1209316940 /nfs/dbraw/zinc/31/69/40/1209316940.db2.gz RSQHLOWJMZTPAS-UKRRQHHQSA-N -1 3 369.425 0.953 10 0 FCAEHM CO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001490449888 1209342890 /nfs/dbraw/zinc/34/28/90/1209342890.db2.gz KHZGDMRWLRMZQU-KGYLQXTDSA-N -1 3 350.419 0.740 10 0 FCAEHM O=C(CCn1cnnn1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccccc1[O-] ZINC001490694679 1209416609 /nfs/dbraw/zinc/41/66/09/1209416609.db2.gz MEQIRLUMMDVZHL-XBFCOCLRSA-N -1 3 356.386 0.331 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])N1CC[C@H]2COC[C@H]2C1 ZINC000856147191 1209697006 /nfs/dbraw/zinc/69/70/06/1209697006.db2.gz MYYDAQDIGFPSQE-NWDGAFQWSA-N -1 3 359.357 0.982 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c([O-])cc1=O)N1CC[C@H]2COC[C@H]2C1 ZINC000856147191 1209697009 /nfs/dbraw/zinc/69/70/09/1209697009.db2.gz MYYDAQDIGFPSQE-NWDGAFQWSA-N -1 3 359.357 0.982 10 0 FCAEHM O=C(N[C@@H]1CCN(c2ccc3nncn3n2)C1)c1cc2c(cc1[O-])OCO2 ZINC000862787282 1209923742 /nfs/dbraw/zinc/92/37/42/1209923742.db2.gz LWTRXRJDSQRWRG-SNVBAGLBSA-N -1 3 368.353 0.567 10 0 FCAEHM C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCc1c(F)cc([O-])cc1F ZINC000927783196 1211581174 /nfs/dbraw/zinc/58/11/74/1211581174.db2.gz CKJRJIOBCHKCQV-NSHDSACASA-N -1 3 370.400 0.974 10 0 FCAEHM CC[C@H](CNC(=O)C(=O)NCCCN1CCc2ccccc2C1)C(=O)[O-] ZINC000927938735 1211593860 /nfs/dbraw/zinc/59/38/60/1211593860.db2.gz HFVGCRLJEQMEQP-CQSZACIVSA-N -1 3 361.442 0.778 10 0 FCAEHM O=C(COC[C@@H]1CCCO1)N1C[C@@H]2CCC[C@]2(NC(=O)c2cn[n-]n2)C1 ZINC001490917374 1219666774 /nfs/dbraw/zinc/66/67/74/1219666774.db2.gz ZKCSDPHSVAHHAI-DCGLDWPTSA-N -1 3 363.418 0.111 10 0 FCAEHM NC(=O)[C@@H]1CC[C@H](C(=O)NCCNC(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC001491441280 1220138034 /nfs/dbraw/zinc/13/80/34/1220138034.db2.gz OLRGPVJKRCIPFB-NEPJUHHUSA-N -1 3 370.409 0.276 10 0 FCAEHM C[C@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NCc1cc(=O)n2[n-]ccc2n1 ZINC001491528950 1220152295 /nfs/dbraw/zinc/15/22/95/1220152295.db2.gz BDIUWWLJVKOBCP-IEBQYBHISA-N -1 3 357.414 0.040 10 0 FCAEHM COc1nnc(NC(=O)CNC(=O)c2ccc(OC(F)F)c(OC)c2)[n-]1 ZINC000782762030 1221188143 /nfs/dbraw/zinc/18/81/43/1221188143.db2.gz BMAIBWPSXHJCRQ-UHFFFAOYSA-N -1 3 371.300 0.792 10 0 FCAEHM COc1nc(NC(=O)CNC(=O)c2ccc(OC(F)F)c(OC)c2)n[n-]1 ZINC000782762030 1221188146 /nfs/dbraw/zinc/18/81/46/1221188146.db2.gz BMAIBWPSXHJCRQ-UHFFFAOYSA-N -1 3 371.300 0.792 10 0 FCAEHM COc1n[n-]c(NC(=O)CNC(=O)c2ccc(OC(F)F)c(OC)c2)n1 ZINC000782762030 1221188148 /nfs/dbraw/zinc/18/81/48/1221188148.db2.gz BMAIBWPSXHJCRQ-UHFFFAOYSA-N -1 3 371.300 0.792 10 0 FCAEHM COCCCn1nc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)ccc1=O ZINC001118570793 1221802215 /nfs/dbraw/zinc/80/22/15/1221802215.db2.gz UNLRGTHWMDAIFF-UHFFFAOYSA-N -1 3 355.358 0.712 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCN(c2nnnn2C[C@H]2CCCO2)CC1 ZINC001119646653 1221944395 /nfs/dbraw/zinc/94/43/95/1221944395.db2.gz AIOKLEVUDOLZPB-CYBMUJFWSA-N -1 3 358.402 0.520 10 0 FCAEHM CN1CCN(c2nnc(-c3c[n-][nH]c3=O)n2C[C@@H]2CCOC2)CC1(C)C ZINC001123172036 1222321892 /nfs/dbraw/zinc/32/18/92/1222321892.db2.gz JDLLQYHEQLBHME-LBPRGKRZSA-N -1 3 361.450 0.941 10 0 FCAEHM C[C@H]1c2nncn2CCN1C(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001138230474 1222493373 /nfs/dbraw/zinc/49/33/73/1222493373.db2.gz UQEATGDEDASTPM-JTQLQIEISA-N -1 3 370.344 0.682 10 0 FCAEHM C[C@H]1c2nncn2CCN1C(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001138230474 1222493376 /nfs/dbraw/zinc/49/33/76/1222493376.db2.gz UQEATGDEDASTPM-JTQLQIEISA-N -1 3 370.344 0.682 10 0 FCAEHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)[C@H]1C[C@@H](O)CN1c1ccncn1 ZINC001142020081 1222802979 /nfs/dbraw/zinc/80/29/79/1222802979.db2.gz WUZYYAJQEVWWFC-ZWNOBZJWSA-N -1 3 370.348 0.374 10 0 FCAEHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)[C@H]1C[C@@H](O)CN1c1ccncn1 ZINC001142020081 1222802980 /nfs/dbraw/zinc/80/29/80/1222802980.db2.gz WUZYYAJQEVWWFC-ZWNOBZJWSA-N -1 3 370.348 0.374 10 0 FCAEHM CCOC(=O)C(C)(C)O[N-]C(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O ZINC001163670773 1223233413 /nfs/dbraw/zinc/23/34/13/1223233413.db2.gz NFMXVEFKEZARTG-LBPRGKRZSA-N -1 3 363.370 0.517 10 0 FCAEHM O=C(CCn1ccnc1)N[C@@H]1CC[C@H](CNC(=O)c2cnc[n-]c2=O)C1 ZINC001515078968 1265420740 /nfs/dbraw/zinc/42/07/40/1265420740.db2.gz PHXVXROYCZSODU-QWHCGFSZSA-N -1 3 358.402 0.484 10 0 FCAEHM COC(=O)CCN1CCC[C@H](OC(=O)Cc2c(C)nc(C)[n-]c2=O)C1=O ZINC000849689511 1245411051 /nfs/dbraw/zinc/41/10/51/1245411051.db2.gz ZHHZHJRVJBEZMY-ZDUSSCGKSA-N -1 3 365.386 0.439 10 0 FCAEHM COC(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000918361126 1245572616 /nfs/dbraw/zinc/57/26/16/1245572616.db2.gz JTXANLKGUYIZOT-AWEZNQCLSA-N -1 3 361.398 0.907 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@H]3CCNC(=O)[C@H]32)c([O-])c1 ZINC000922442423 1245677140 /nfs/dbraw/zinc/67/71/40/1245677140.db2.gz KPDMQHUVMISROX-GUYCJALGSA-N -1 3 359.426 0.948 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@@H]3CCNC(=O)[C@H]32)c([O-])c1 ZINC000922442422 1245677901 /nfs/dbraw/zinc/67/79/01/1245677901.db2.gz KPDMQHUVMISROX-DYVFJYSZSA-N -1 3 359.426 0.948 10 0 FCAEHM Cc1ccc([O-])c(CNCC(=O)NCC(=O)N(C)Cc2ccccc2)n1 ZINC000922763168 1245687580 /nfs/dbraw/zinc/68/75/80/1245687580.db2.gz CYDHJZHRVVMHGF-UHFFFAOYSA-N -1 3 356.426 0.960 10 0 FCAEHM CCO[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CNC(=O)C(C)(C)C ZINC001515239152 1265475798 /nfs/dbraw/zinc/47/57/98/1265475798.db2.gz AYMRATZKNXIXGB-DGCLKSJQSA-N -1 3 350.419 0.822 10 0 FCAEHM COC[C@@](C)(O)CCNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001328078043 1265480056 /nfs/dbraw/zinc/48/00/56/1265480056.db2.gz SAMKZMCBIBPNKA-KRWDZBQOSA-N -1 3 365.361 0.391 10 0 FCAEHM COC[C@@](C)(O)CCNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001328078043 1265480060 /nfs/dbraw/zinc/48/00/60/1265480060.db2.gz SAMKZMCBIBPNKA-KRWDZBQOSA-N -1 3 365.361 0.391 10 0 FCAEHM C[C@@]12COC[C@]1(C)CN(c1nnc(CCc3nnn[n-]3)n1CC1CC1)C2 ZINC001520535771 1265930833 /nfs/dbraw/zinc/93/08/33/1265930833.db2.gz CZCFTVMPQBOJFX-CALCHBBNSA-N -1 3 358.450 0.849 10 0 FCAEHM C[C@@]12COC[C@]1(C)CN(c1nnc(CCc3nn[n-]n3)n1CC1CC1)C2 ZINC001520535771 1265930838 /nfs/dbraw/zinc/93/08/38/1265930838.db2.gz CZCFTVMPQBOJFX-CALCHBBNSA-N -1 3 358.450 0.849 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)CCCn2cccn2)CCN1C(=O)c1cnc[n-]c1=O ZINC001520729970 1265980456 /nfs/dbraw/zinc/98/04/56/1265980456.db2.gz KQUNLONSUADCBF-OCCSQVGLSA-N -1 3 358.402 0.578 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)CCc2cnccn2)CCN1C(=O)c1cnc[n-]c1=O ZINC001521097816 1266079429 /nfs/dbraw/zinc/07/94/29/1266079429.db2.gz BCVKRNZBMHOECU-RISCZKNCSA-N -1 3 356.386 0.324 10 0 FCAEHM COC1(CC(=O)NC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@H]2C)CCC1 ZINC001521904647 1266207193 /nfs/dbraw/zinc/20/71/93/1266207193.db2.gz VCFWQHUUWUBEPG-CHWSQXEVSA-N -1 3 362.430 0.966 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CCNC(=O)C[C@@H]1CCCO1 ZINC001521974108 1266268254 /nfs/dbraw/zinc/26/82/54/1266268254.db2.gz QULYZWCRKOOGMN-MCIONIFRSA-N -1 3 362.430 0.966 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC001335430101 1259660502 /nfs/dbraw/zinc/66/05/02/1259660502.db2.gz QEBHYXNGKNNNTG-MRXNPFEDSA-N -1 3 371.441 0.835 10 0 FCAEHM CC[C@@H]1C(=O)N(CC)CCN1C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001251451220 1259748890 /nfs/dbraw/zinc/74/88/90/1259748890.db2.gz SBLHORKRQYSZHT-QWHCGFSZSA-N -1 3 362.434 0.413 10 0 FCAEHM CN(CCOCCNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)C(=O)c1cnc[n-]c1=O ZINC001336606180 1260183061 /nfs/dbraw/zinc/18/30/61/1260183061.db2.gz OJYHFDISEZMLDA-QLFBSQMISA-N -1 3 374.441 0.989 10 0 FCAEHM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC001261874739 1260205676 /nfs/dbraw/zinc/20/56/76/1260205676.db2.gz IMCNLHWFTJSUFY-SFHVURJKSA-N -1 3 369.462 0.269 10 0 FCAEHM O=C(NC[C@@H](CO)NC(=O)[C@]12C[C@H]1CCC2)c1cc(=O)[n-]c(C2CC2)n1 ZINC001337713067 1260466218 /nfs/dbraw/zinc/46/62/18/1260466218.db2.gz VLXHLCCDFMNRHI-FTLABTOESA-N -1 3 360.414 0.457 10 0 FCAEHM CCC[C@@H]1C[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001337829167 1260496316 /nfs/dbraw/zinc/49/63/16/1260496316.db2.gz JIAOCVBVCUWEPN-FRRDWIJNSA-N -1 3 362.430 0.703 10 0 FCAEHM CC(C)N(CCN(C)Cc1nc(=O)n(C)[n-]1)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001278912603 1260758448 /nfs/dbraw/zinc/75/84/48/1260758448.db2.gz TYULMEDPWJXYFS-CHWSQXEVSA-N -1 3 361.450 0.304 10 0 FCAEHM CC(C)N(CCN(C)Cc1nc(=O)n(C)[n-]1)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001278912603 1260758453 /nfs/dbraw/zinc/75/84/53/1260758453.db2.gz TYULMEDPWJXYFS-CHWSQXEVSA-N -1 3 361.450 0.304 10 0 FCAEHM Cn1[n-]c(CNC[C@H](NC(=O)[C@]23CCC[C@H]2OCC3)C(C)(C)C)nc1=O ZINC001278978327 1260766437 /nfs/dbraw/zinc/76/64/37/1260766437.db2.gz IRQFWZADSOULIN-JCGVRSQUSA-N -1 3 365.478 0.688 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NCC1(CCNC(=O)[C@]23C[C@H]2COC3)CC1 ZINC001281537334 1261117538 /nfs/dbraw/zinc/11/75/38/1261117538.db2.gz OAZWAHARCBZKOJ-SGTLLEGYSA-N -1 3 360.414 0.543 10 0 FCAEHM CCC[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C[C@H]1O ZINC001281651089 1261135777 /nfs/dbraw/zinc/13/57/77/1261135777.db2.gz KUDREKDJVUQFSK-ZLKJLUDKSA-N -1 3 362.430 0.797 10 0 FCAEHM CC[C@@H](F)C(=O)N[C@@H]1CN(C(=O)c2c[n-]c3ccccc3c2=O)C[C@H]1O ZINC001281704552 1261162326 /nfs/dbraw/zinc/16/23/26/1261162326.db2.gz IXJDGGIIXPIFFF-BPLDGKMQSA-N -1 3 361.373 0.578 10 0 FCAEHM NC(=O)CCCCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc[n-]c1=O)C2 ZINC001522168525 1266391690 /nfs/dbraw/zinc/39/16/90/1266391690.db2.gz ODUAELRHCDTTQC-WXHSDQCUSA-N -1 3 361.402 0.090 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CN(C(=O)C2(CC(C)C)CC2)C[C@H]1O ZINC001281706272 1261163370 /nfs/dbraw/zinc/16/33/70/1261163370.db2.gz QVWXDFAACAMFDI-CHWSQXEVSA-N -1 3 362.430 0.618 10 0 FCAEHM CCCNC(=O)CCC(=O)N1C[C@@H](C)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001281773769 1261190879 /nfs/dbraw/zinc/19/08/79/1261190879.db2.gz YXFDVTJVRLUCDZ-DGCLKSJQSA-N -1 3 363.418 0.065 10 0 FCAEHM C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001332389716 1266393089 /nfs/dbraw/zinc/39/30/89/1266393089.db2.gz AIXMDJFDNZSCII-UONOGXRCSA-N -1 3 369.462 0.221 10 0 FCAEHM CCC[C@H](C)C(=O)N[C@@H]1CN(C(=O)Cc2c(C)nc(C)[n-]c2=O)C[C@@H]1O ZINC001281874594 1261248560 /nfs/dbraw/zinc/24/85/60/1261248560.db2.gz RDDVMMXDZQEWMB-VQISRLSMSA-N -1 3 364.446 0.466 10 0 FCAEHM O=C(CCCn1cccc1)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@@H]1O ZINC001281894947 1261264334 /nfs/dbraw/zinc/26/43/34/1261264334.db2.gz VGIXDINABTVYNG-WBVHZDCISA-N -1 3 357.410 0.976 10 0 FCAEHM CC[C@H](NC(C)=O)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cnc[n-]c1=O ZINC001282012335 1261331290 /nfs/dbraw/zinc/33/12/90/1261331290.db2.gz MQBLRMCHJLEWTR-BFHYXJOUSA-N -1 3 363.418 0.254 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cn[nH]n1 ZINC001522177950 1266400898 /nfs/dbraw/zinc/40/08/98/1266400898.db2.gz VCZJHKQUWYDZCA-OSMZGAPFSA-N -1 3 371.401 0.103 10 0 FCAEHM CC(C)CCC(=O)NCC(=O)NC[C@H]1CC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC001282137887 1261353490 /nfs/dbraw/zinc/35/34/90/1261353490.db2.gz UTZDRUYEFPPIRT-QWHCGFSZSA-N -1 3 364.450 0.372 10 0 FCAEHM O=C(CCc1nnn[n-]1)N1C[C@H](O)C[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC001472241690 1261453906 /nfs/dbraw/zinc/45/39/06/1261453906.db2.gz XQFVMPKIQGDKRA-NEPJUHHUSA-N -1 3 354.374 0.252 10 0 FCAEHM COCCOCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)nc[n-]c1=O)C2 ZINC001522199157 1266413472 /nfs/dbraw/zinc/41/34/72/1266413472.db2.gz GNCVOHLDLWQHKN-AGIUHOORSA-N -1 3 364.402 0.015 10 0 FCAEHM CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001282696858 1261588151 /nfs/dbraw/zinc/58/81/51/1261588151.db2.gz CNACMGXVQFNFST-DFBGVHRSSA-N -1 3 371.393 0.468 10 0 FCAEHM CN(C(=O)[C@@H]1C[C@H]1c1cccnc1)[C@@H](CNCc1nc(=O)n(C)[n-]1)C1CC1 ZINC001283545645 1261690813 /nfs/dbraw/zinc/69/08/13/1261690813.db2.gz VDVCMWHNEAFGRA-XHSDSOJGSA-N -1 3 370.457 0.634 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)CN(C)C(=O)c1ccccc1 ZINC001345479467 1261718782 /nfs/dbraw/zinc/71/87/82/1261718782.db2.gz PDXWQWVDPMKSEO-OCCSQVGLSA-N -1 3 370.413 0.296 10 0 FCAEHM Cc1ccccc1[C@@H]1C[C@H]1C(=O)NC[C@H](O)CNC(=O)c1cnc[n-]c1=O ZINC001285440182 1261842227 /nfs/dbraw/zinc/84/22/27/1261842227.db2.gz XZWKNXIDXLGEAG-AEGPPILISA-N -1 3 370.409 0.501 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@@H](O)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001285443031 1261845927 /nfs/dbraw/zinc/84/59/27/1261845927.db2.gz DSNPKPBJTGVKHJ-XDQVBPFNSA-N -1 3 362.430 0.524 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)NCCOCCN(C)C(=O)c1cnc[n-]c1=O ZINC001287415189 1261954196 /nfs/dbraw/zinc/95/41/96/1261954196.db2.gz CJIPWVDLBWJLTL-OCCSQVGLSA-N -1 3 366.418 0.202 10 0 FCAEHM CCN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)[C@H](C)CNC(=O)c1cnc[n-]c1=O ZINC001288630535 1262027783 /nfs/dbraw/zinc/02/77/83/1262027783.db2.gz ABEGQNORHNEUFY-UTUOFQBUSA-N -1 3 363.418 0.051 10 0 FCAEHM O=C(NCCC1=CCN(C(=O)[C@]23C[C@H]2COC3)CC1)c1cnc[n-]c1=O ZINC001288720954 1262030973 /nfs/dbraw/zinc/03/09/73/1262030973.db2.gz ZWIWARHGIACNGU-UGSOOPFHSA-N -1 3 358.398 0.497 10 0 FCAEHM CO[C@@H]1CN(C(=O)C/C=C\Cc2ccccc2)C[C@H]1NC(=O)c1cn[n-]n1 ZINC001289509122 1262229116 /nfs/dbraw/zinc/22/91/16/1262229116.db2.gz FKVFXGRDVVBGTM-MBZYTVFJSA-N -1 3 369.425 0.949 10 0 FCAEHM C[C@@H](CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1[O-])NC(N)=O ZINC001289874875 1262361670 /nfs/dbraw/zinc/36/16/70/1262361670.db2.gz XXVZJHRVJLOULE-IACUBPJLSA-N -1 3 362.430 0.996 10 0 FCAEHM C[C@H](CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1[O-])NC(N)=O ZINC001289874876 1262361797 /nfs/dbraw/zinc/36/17/97/1262361797.db2.gz XXVZJHRVJLOULE-MRVWCRGKSA-N -1 3 362.430 0.996 10 0 FCAEHM C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2cc(=O)[n-]cn2)C1=O ZINC001290299722 1262423792 /nfs/dbraw/zinc/42/37/92/1262423792.db2.gz ZTKHYUMANNIAGT-KRWDZBQOSA-N -1 3 355.354 0.770 10 0 FCAEHM CC[C@H](NC(C)=O)C(=O)N1CC[C@H](NC(=O)c2c(C)nc[n-]c2=O)[C@H]1C ZINC001290703294 1262498490 /nfs/dbraw/zinc/49/84/90/1262498490.db2.gz RUEBZCAJIYNVNX-WXHSDQCUSA-N -1 3 363.418 0.125 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1CNC(=O)C(=O)NCC(F)F ZINC001290944340 1262540980 /nfs/dbraw/zinc/54/09/80/1262540980.db2.gz WOOPEXBIDKLWCC-GHMZBOCLSA-N -1 3 369.368 0.598 10 0 FCAEHM Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3CCCN3C)C2)c1[O-] ZINC001291583866 1262561405 /nfs/dbraw/zinc/56/14/05/1262561405.db2.gz RCHUIVMMKKMYCJ-BNOWGMLFSA-N -1 3 363.462 0.732 10 0 FCAEHM O=C(NCCCCN1CCN(c2ncccn2)CC1)c1cnncc1[O-] ZINC001293098308 1262709573 /nfs/dbraw/zinc/70/95/73/1262709573.db2.gz GMJRXASAKWBTIJ-UHFFFAOYSA-N -1 3 357.418 0.304 10 0 FCAEHM NC(=O)[C@@H]1C[C@@H]1C(=O)N(CCCNC(=O)c1cccc2n[n-]nc21)C1CC1 ZINC001294599439 1262736888 /nfs/dbraw/zinc/73/68/88/1262736888.db2.gz HWLOFAZZMBIPLE-OLZOCXBDSA-N -1 3 370.413 0.190 10 0 FCAEHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)C=CC(=O)N(C)C)c2)[n-]1 ZINC001297259937 1262857054 /nfs/dbraw/zinc/85/70/54/1262857054.db2.gz HPKBJOIFYCNNLM-HJWRWDBZSA-N -1 3 371.397 0.909 10 0 FCAEHM CCOC(=O)c1nc(-c2cccc(CNC(=O)C=CC(=O)N(C)C)c2)n[n-]1 ZINC001297259937 1262857056 /nfs/dbraw/zinc/85/70/56/1262857056.db2.gz HPKBJOIFYCNNLM-HJWRWDBZSA-N -1 3 371.397 0.909 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H](C)CNC(=O)CCc1c(C)nc[n-]c1=O ZINC001298811085 1262942251 /nfs/dbraw/zinc/94/22/51/1262942251.db2.gz XGTJNSWENHKFIK-GHJWDPDVSA-N -1 3 364.446 0.859 10 0 FCAEHM O=C(N[C@H](CO)c1cccnc1)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001299580411 1262968890 /nfs/dbraw/zinc/96/88/90/1262968890.db2.gz PJFHMUMPMCWEIB-CQSZACIVSA-N -1 3 370.340 0.732 10 0 FCAEHM O=C(N[C@H](CO)c1cccnc1)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001299580411 1262968894 /nfs/dbraw/zinc/96/88/94/1262968894.db2.gz PJFHMUMPMCWEIB-CQSZACIVSA-N -1 3 370.340 0.732 10 0 FCAEHM CN(C(=O)c1c[nH]nc1[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1nnn[n-]1 ZINC001301547788 1263010909 /nfs/dbraw/zinc/01/09/09/1263010909.db2.gz LYVLJJCBDLLXIJ-VIFPVBQESA-N -1 3 362.394 0.924 10 0 FCAEHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)[C@@H]1C[C@@H](O)CN1c1ccncn1 ZINC001301760464 1263020204 /nfs/dbraw/zinc/02/02/04/1263020204.db2.gz LGCXDBNIVOEJTK-KGLIPLIRSA-N -1 3 370.413 0.496 10 0 FCAEHM CCOC(=O)C1=CC[C@@H](NC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)C1 ZINC001478972984 1263157260 /nfs/dbraw/zinc/15/72/60/1263157260.db2.gz LCTSXFJXNFZVHQ-CHWSQXEVSA-N -1 3 361.402 0.712 10 0 FCAEHM O=C(CCc1cscn1)NC[C@H]1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001479494272 1263222469 /nfs/dbraw/zinc/22/24/69/1263222469.db2.gz PBRDCDIEKPJKLT-WDEREUQCSA-N -1 3 350.448 0.974 10 0 FCAEHM COC[C@H](C)CC(=O)N1CC[C@@H](C)C[C@H]1CNCc1nc(=O)n(C)[n-]1 ZINC001479580504 1263263817 /nfs/dbraw/zinc/26/38/17/1263263817.db2.gz RIOMREIKMFVBSX-MCIONIFRSA-N -1 3 353.467 0.498 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H](C)CNCc1cc(=O)n2[n-]ccc2n1 ZINC001319501874 1263700189 /nfs/dbraw/zinc/70/01/89/1263700189.db2.gz KRFXJIMNASNGKN-CFVMTHIKSA-N -1 3 361.446 0.774 10 0 FCAEHM NC(=O)[C@@H]1C[C@@H]1C(=O)NCC1(NC(=O)c2c[n-]c3ccccc3c2=O)CC1 ZINC001506209026 1264303068 /nfs/dbraw/zinc/30/30/68/1264303068.db2.gz MQRKDEQTDRKNCC-NEPJUHHUSA-N -1 3 368.393 0.028 10 0 FCAEHM C[C@H](CNC(=O)c1cnc[n-]c1=O)N(C)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001508929222 1264427201 /nfs/dbraw/zinc/42/72/01/1264427201.db2.gz RNQWEZMAVDOBCZ-IJLUTSLNSA-N -1 3 358.402 0.296 10 0 FCAEHM C[C@H](CNC(=O)c1nnc2ccccc2c1[O-])N(C)C(=O)[C@]12C[C@H]1COC2 ZINC001509111693 1264436800 /nfs/dbraw/zinc/43/68/00/1264436800.db2.gz LHLMJXQLGXYPLI-UFYHVXEKSA-N -1 3 370.409 0.949 10 0 FCAEHM O=C(NCC1(NC(=O)[C@]23C[C@H]2COC3)CCCCC1)c1cnc[n-]c1=O ZINC001509273526 1264449743 /nfs/dbraw/zinc/44/97/43/1264449743.db2.gz YOSBPOOQNHPUSQ-SGTLLEGYSA-N -1 3 360.414 0.768 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NCCOCCN(C)C(=O)c1c(C)nc[n-]c1=O ZINC001510219876 1264488392 /nfs/dbraw/zinc/48/83/92/1264488392.db2.gz ANICVHYEECEBCK-CHWSQXEVSA-N -1 3 350.419 0.742 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@@H](CO)CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001510951193 1264519549 /nfs/dbraw/zinc/51/95/49/1264519549.db2.gz PDDUGVOIXXAYLC-VHDGCEQUSA-N -1 3 362.430 0.063 10 0 FCAEHM CN(C[C@H](O)CNC(=O)c1cccc2n[n-]nc21)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001511552176 1264553849 /nfs/dbraw/zinc/55/38/49/1264553849.db2.gz YLLXFUWWQZLURM-KWCYVHTRSA-N -1 3 357.414 0.553 10 0 FCAEHM COCC(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)c3c(C)nc[n-]c3=O)[C@@H]2C1 ZINC001512846093 1264690547 /nfs/dbraw/zinc/69/05/47/1264690547.db2.gz NIEXEEMNBMUAEE-QWHCGFSZSA-N -1 3 362.430 0.836 10 0 FCAEHM COCCOCC(=O)N1C[C@@H](NC(=O)c2ccccc2[O-])[C@H](OC)C1 ZINC001513335371 1265041633 /nfs/dbraw/zinc/04/16/33/1265041633.db2.gz PQAHURINGKUHGI-UKRRQHHQSA-N -1 3 352.387 0.011 10 0 FCAEHM CC(C)OCCCC(=O)N1C[C@@H](NC(=O)c2ccccc2[O-])[C@@H](O)C1 ZINC001513451895 1265129873 /nfs/dbraw/zinc/12/98/73/1265129873.db2.gz PZDCNPLFLOYRIF-ZBFHGGJFSA-N -1 3 350.415 0.899 10 0 FCAEHM CS[C@@H](C)CC(=O)N1CC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)[C@@H]2C1 ZINC001513950962 1265302485 /nfs/dbraw/zinc/30/24/85/1265302485.db2.gz WLBXLTYMOMWYKS-DMDPSCGWSA-N -1 3 350.444 0.997 10 0 FCAEHM C[C@](O)(CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cnc[n-]c1=O)C1CC1 ZINC001514342673 1265340805 /nfs/dbraw/zinc/34/08/05/1265340805.db2.gz GNSSEMGVIYESKL-LBTNJELSSA-N -1 3 362.430 0.891 10 0 FCAEHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001514978430 1265390109 /nfs/dbraw/zinc/39/01/09/1265390109.db2.gz QIUQDYNBFVGHMA-WCFLWFBJSA-N -1 3 363.418 0.030 10 0 FCAEHM CO[C@@H]1CCN(c2nnc(-c3nnc(Cl)[n-]3)n2C[C@@H]2CCOC2)C1 ZINC001526305480 1266799914 /nfs/dbraw/zinc/79/99/14/1266799914.db2.gz UYANWZRZSRGRAV-VHSXEESVSA-N -1 3 353.814 0.978 10 0 FCAEHM CO[C@@H]1CCN(c2nnc(-c3n[n-]c(Cl)n3)n2C[C@@H]2CCOC2)C1 ZINC001526305480 1266799922 /nfs/dbraw/zinc/79/99/22/1266799922.db2.gz UYANWZRZSRGRAV-VHSXEESVSA-N -1 3 353.814 0.978 10 0 FCAEHM C[C@@H]1CN(c2nnc(-c3nnc(Cl)[n-]3)n2CC2CC2)CC(=O)N1C ZINC001527809940 1266926705 /nfs/dbraw/zinc/92/67/05/1266926705.db2.gz BUWZINVQFVHSFR-MRVPVSSYSA-N -1 3 350.814 0.794 10 0 FCAEHM C[C@@H]1CN(c2nnc(-c3n[n-]c(Cl)n3)n2CC2CC2)CC(=O)N1C ZINC001527809940 1266926717 /nfs/dbraw/zinc/92/67/17/1266926717.db2.gz BUWZINVQFVHSFR-MRVPVSSYSA-N -1 3 350.814 0.794 10 0 FCAEHM O=C([C@H]1CN(Cc2ccccc2)CCO1)N1CCC(Cc2nnn[n-]2)CC1 ZINC001528799068 1266996376 /nfs/dbraw/zinc/99/63/76/1266996376.db2.gz MUCKYYRHNSLCOH-QGZVFWFLSA-N -1 3 370.457 0.882 10 0 FCAEHM O=C([C@H]1CN(Cc2ccccc2)CCO1)N1CCC(Cc2nn[n-]n2)CC1 ZINC001528799068 1266996381 /nfs/dbraw/zinc/99/63/81/1266996381.db2.gz MUCKYYRHNSLCOH-QGZVFWFLSA-N -1 3 370.457 0.882 10 0 FCAEHM O=C([C@@H]1CN(Cc2ccccc2)CCO1)N1CCC(Cc2nnn[n-]2)CC1 ZINC001528799065 1266996397 /nfs/dbraw/zinc/99/63/97/1266996397.db2.gz MUCKYYRHNSLCOH-KRWDZBQOSA-N -1 3 370.457 0.882 10 0 FCAEHM O=C([C@@H]1CN(Cc2ccccc2)CCO1)N1CCC(Cc2nn[n-]n2)CC1 ZINC001528799065 1266996403 /nfs/dbraw/zinc/99/64/03/1266996403.db2.gz MUCKYYRHNSLCOH-KRWDZBQOSA-N -1 3 370.457 0.882 10 0 FCAEHM CO[C@H](C(=O)NC1CCN(c2nc(C)cc(=O)[n-]2)CC1)[C@H]1CCOC1 ZINC001529076219 1267022406 /nfs/dbraw/zinc/02/24/06/1267022406.db2.gz NFBZFCKHGBQBDJ-WFASDCNBSA-N -1 3 350.419 0.627 10 0 FCAEHM Cn1cncc1[C@@H]1C[C@H]1C(=O)NC/C=C/CNC(=O)c1cnc[n-]c1=O ZINC001533545954 1267226315 /nfs/dbraw/zinc/22/63/15/1267226315.db2.gz JFZGGZKPUHTMKX-JGLYPNHGSA-N -1 3 356.386 0.122 10 0 FCAEHM CN1N=C(C(=O)Nc2ncc(S(=O)(=O)[N-]C(C)(C)C)s2)CCC1=O ZINC001535300158 1267288995 /nfs/dbraw/zinc/28/89/95/1267288995.db2.gz CGPGLQHPJBHPRD-UHFFFAOYSA-N -1 3 373.460 0.767 10 0 FCAEHM Cn1cc(CCC(=O)Nc2ncc(S(=O)(=O)[N-]C(C)(C)C)s2)nn1 ZINC001535303341 1267289720 /nfs/dbraw/zinc/28/97/20/1267289720.db2.gz YNKXVSLEMZKGIX-UHFFFAOYSA-N -1 3 372.476 0.920 10 0 FCAEHM CCOC(=O)c1cccc2[n-]c(NC(=O)CN3CCC(=O)NC3=O)nc21 ZINC001539379461 1267426830 /nfs/dbraw/zinc/42/68/30/1267426830.db2.gz IKDFWJCVZZYMAT-UHFFFAOYSA-N -1 3 359.342 0.620 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCN(CC(=O)NCC)CC2)c1 ZINC001540685877 1267459315 /nfs/dbraw/zinc/45/93/15/1267459315.db2.gz CIOMBNJRHGORQW-UHFFFAOYSA-N -1 3 360.414 0.411 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)Cc1csc(S[C@H](C)C(N)=O)n1 ZINC001542942068 1267513332 /nfs/dbraw/zinc/51/33/32/1267513332.db2.gz OXKQOELLPYLWQG-SCZZXKLOSA-N -1 3 369.472 0.280 10 0 FCAEHM COC(=O)c1ccc(CC(=O)NCCNC(=O)c2ccc([O-])cc2)cn1 ZINC001545667034 1267619840 /nfs/dbraw/zinc/61/98/40/1267619840.db2.gz FBOVJIJYGVXNJU-UHFFFAOYSA-N -1 3 357.366 0.663 10 0 FCAEHM CC(C)(C)OC(=O)N1CC(n2nncc2C(=O)[N-]N2CCCC2=O)C1 ZINC001546090260 1267635136 /nfs/dbraw/zinc/63/51/36/1267635136.db2.gz MALOLBASKPOMDY-UHFFFAOYSA-N -1 3 350.379 0.337 10 0 FCAEHM Cn1cc([C@H](CO)NC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])cn1 ZINC001547439761 1267669931 /nfs/dbraw/zinc/66/99/31/1267669931.db2.gz ICVPOPVMHBTNAF-ZDUSSCGKSA-N -1 3 373.344 0.071 10 0 FCAEHM Cn1cc([C@H](CO)NC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)cn1 ZINC001547439761 1267669935 /nfs/dbraw/zinc/66/99/35/1267669935.db2.gz ICVPOPVMHBTNAF-ZDUSSCGKSA-N -1 3 373.344 0.071 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@H](CNC(=O)[C@]12C[C@H]1COC2)C(C)(C)C ZINC001338910074 1268119373 /nfs/dbraw/zinc/11/93/73/1268119373.db2.gz DNUULQUTTUAFDY-IUUKEHGRSA-N -1 3 362.430 0.788 10 0 FCAEHM CNC(=O)C1(C(=O)N2C[C@@H]3CCN(C(=O)c4ccccc4[O-])[C@@H]3C2)CCC1 ZINC001340913092 1268707513 /nfs/dbraw/zinc/70/75/13/1268707513.db2.gz RRGYEWWFOVMONG-DZGCQCFKSA-N -1 3 371.437 0.981 10 0 FCAEHM CCS(=O)(=O)c1ccccc1CC(=O)NCCCc1cc(=O)[nH][n-]1 ZINC001556868259 1268901064 /nfs/dbraw/zinc/90/10/64/1268901064.db2.gz SEHACFSUOWBCAB-UHFFFAOYSA-N -1 3 351.428 0.795 10 0 FCAEHM O=C(c1cccc(CN2C(=O)CNC2=O)c1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001557318338 1268942536 /nfs/dbraw/zinc/94/25/36/1268942536.db2.gz YVWJHLNCLSHZPC-CYBMUJFWSA-N -1 3 369.381 0.797 10 0 FCAEHM Cc1c(C(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)nnn1-c1ccn(C)n1 ZINC001558574723 1269115928 /nfs/dbraw/zinc/11/59/28/1269115928.db2.gz MPTQUHKRHAPONW-LURJTMIESA-N -1 3 369.311 0.937 10 0 FCAEHM CN(C)c1nc(NC(=O)c2cccn(CC(=O)OC(C)(C)C)c2=O)n[n-]1 ZINC001558980007 1269156458 /nfs/dbraw/zinc/15/64/58/1269156458.db2.gz IYMZWOZQWBAOTJ-UHFFFAOYSA-N -1 3 362.390 0.626 10 0 FCAEHM Cc1cc(N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)nc(S(C)(=O)=O)n1 ZINC001559297010 1269166044 /nfs/dbraw/zinc/16/60/44/1269166044.db2.gz NOYYEEDZFJNFLY-SNVBAGLBSA-N -1 3 350.404 0.375 10 0 FCAEHM Cn1cc([C@H](NCc2nc3c(c(=O)[n-]2)COCC3)C2(CO)CCC2)cn1 ZINC001559869283 1269178412 /nfs/dbraw/zinc/17/84/12/1269178412.db2.gz OPSHJKOVHOYCBC-INIZCTEOSA-N -1 3 359.430 0.982 10 0 FCAEHM CCO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)CCc2c(C)nc[n-]c2=O)C[C@H]1C ZINC001341994766 1269294819 /nfs/dbraw/zinc/29/48/19/1269294819.db2.gz WDWLPYXFVYRRGF-OSAQELSMSA-N -1 3 364.446 0.811 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1sccc1S(=O)(=O)C(F)F ZINC001565611531 1269481917 /nfs/dbraw/zinc/48/19/17/1269481917.db2.gz IYFUWBQQXNIMFD-SSDOTTSWSA-N -1 3 365.383 0.986 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)CN1C(=S)N=NC1c1cccs1 ZINC001565611969 1269481983 /nfs/dbraw/zinc/48/19/83/1269481983.db2.gz YCPBBLWQJZVZRU-VIFPVBQESA-N -1 3 364.456 0.924 10 0 FCAEHM Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@H](NC(=O)CN(C)CC(C)(C)C)C2)c1[O-] ZINC001342627962 1269542573 /nfs/dbraw/zinc/54/25/73/1269542573.db2.gz BVNURNZHAPTRBY-DGCLKSJQSA-N -1 3 365.478 0.978 10 0 FCAEHM CCC[C@H](OC)C(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]2C1 ZINC001566047424 1269578678 /nfs/dbraw/zinc/57/86/78/1269578678.db2.gz CBNMCBIDIIKKMP-RDBSUJKOSA-N -1 3 351.451 0.204 10 0 FCAEHM O=C(NCCNS(=O)(=O)c1ccc(Cl)s1)c1cnncc1[O-] ZINC001566643563 1269654731 /nfs/dbraw/zinc/65/47/31/1269654731.db2.gz DENOVXIPKLLPCD-UHFFFAOYSA-N -1 3 362.820 0.605 10 0 FCAEHM CCC[C@@H]1C(=O)NCCN1C(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001567263763 1269684812 /nfs/dbraw/zinc/68/48/12/1269684812.db2.gz HIHNFVLTXUQXGC-CYBMUJFWSA-N -1 3 374.372 0.615 10 0 FCAEHM CCC[C@@H]1C(=O)NCCN1C(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001567263763 1269684817 /nfs/dbraw/zinc/68/48/17/1269684817.db2.gz HIHNFVLTXUQXGC-CYBMUJFWSA-N -1 3 374.372 0.615 10 0 FCAEHM CO[C@@H]1CN(C(=O)C(C)(C)CC(F)(F)F)C[C@H]1NC(=O)c1cn[n-]n1 ZINC001342972746 1269707975 /nfs/dbraw/zinc/70/79/75/1269707975.db2.gz GCWGSSFDHZVNFH-NXEZZACHSA-N -1 3 363.340 0.739 10 0 FCAEHM NC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC[C@H]2CCNCc2n[nH]c(=O)[n-]2)C1 ZINC001568393063 1269729427 /nfs/dbraw/zinc/72/94/27/1269729427.db2.gz CIWZAXBBLALIPW-AGIUHOORSA-N -1 3 364.450 0.273 10 0 FCAEHM O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001570107337 1269840061 /nfs/dbraw/zinc/84/00/61/1269840061.db2.gz DRDKEDUQLWTWAD-KBPBESRZSA-N -1 3 368.397 0.904 10 0 FCAEHM O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001570107337 1269840069 /nfs/dbraw/zinc/84/00/69/1269840069.db2.gz DRDKEDUQLWTWAD-KBPBESRZSA-N -1 3 368.397 0.904 10 0 FCAEHM CC(F)(F)C(=O)NCc1nc(CNC(=O)[C@]23C[C@H]2COC3)cc(=O)[n-]1 ZINC001573247435 1270708742 /nfs/dbraw/zinc/70/87/42/1270708742.db2.gz CNHMCPVCMADFDH-AYVTZFPOSA-N -1 3 356.329 0.106 10 0 FCAEHM Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CCNC(=O)c3cnc[n-]c3=O)C2)nn1 ZINC001574002261 1270985317 /nfs/dbraw/zinc/98/53/17/1270985317.db2.gz ALGYUVALJIPBNL-DGCLKSJQSA-N -1 3 370.413 0.809 10 0 FCAEHM CCOCC(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001574039906 1271023592 /nfs/dbraw/zinc/02/35/92/1271023592.db2.gz KDXNCAXUADYWQW-DGCLKSJQSA-N -1 3 350.419 0.742 10 0 FCAEHM O=C(CCNC(=O)c1ccco1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn[n-]n1)C2 ZINC001574514844 1271298376 /nfs/dbraw/zinc/29/83/76/1271298376.db2.gz VXGCNLTZIWORPZ-WZRBSPASSA-N -1 3 372.385 0.080 10 0 FCAEHM COc1ccc([C@@H]2C[C@H]2C(=O)N(C)CCNCc2nc(=O)n(C)[n-]2)cc1 ZINC001714768219 1287334874 /nfs/dbraw/zinc/33/48/74/1287334874.db2.gz PYZOJUHQDKVRKI-LSDHHAIUSA-N -1 3 359.430 0.469 10 0 FCAEHM Cn1[n-]c(CNC[C@](C)(NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C2CC2)nc1=O ZINC001715113949 1287345166 /nfs/dbraw/zinc/34/51/66/1287345166.db2.gz CJJPJTHHDSLJRY-VZBWRMENSA-N -1 3 363.462 0.298 10 0 FCAEHM CCCN(CCNC(=O)c1c(C)nc[n-]c1=O)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001581412799 1279883564 /nfs/dbraw/zinc/88/35/64/1279883564.db2.gz ZVHYMDYFQMTQJH-AQRJEWBLSA-N -1 3 374.441 0.882 10 0 FCAEHM CCCC[C@H](CNCc1nc(=O)n(C)[n-]1)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001717531450 1287428221 /nfs/dbraw/zinc/42/82/21/1287428221.db2.gz KVVYVWPVBFXGNJ-ULSDXFBPSA-N -1 3 363.462 0.296 10 0 FCAEHM O=C(N[C@H](CO)CNC(=O)[C@@H]1C[C@H]1C1CC1)c1nnc2ccccc2c1[O-] ZINC001718619193 1287530863 /nfs/dbraw/zinc/53/08/63/1287530863.db2.gz XVURSYLDKXYSAA-FPMFFAJLSA-N -1 3 370.409 0.588 10 0 FCAEHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)c1ccoc1C1(O)CCOCC1 ZINC001631842587 1282122814 /nfs/dbraw/zinc/12/28/14/1282122814.db2.gz OTPFOWUVCARCCA-UHFFFAOYSA-N -1 3 351.384 0.992 10 0 FCAEHM Cc1nc(C)c(CC(=O)NCc2ccc(-c3nncnn3)cc2)c(=O)[n-]1 ZINC001631901430 1282133740 /nfs/dbraw/zinc/13/37/40/1282133740.db2.gz QAVRDQVESCMWHQ-UHFFFAOYSA-N -1 3 351.370 0.905 10 0 FCAEHM COC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC001584196696 1282143373 /nfs/dbraw/zinc/14/33/73/1282143373.db2.gz JDCHUPXARKYXLR-JSGCOSHPSA-N -1 3 351.403 0.959 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@@H](C)CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001584233926 1282145151 /nfs/dbraw/zinc/14/51/51/1282145151.db2.gz WSXCCYIBEWXJHS-RCLBLLGDSA-N -1 3 374.441 0.468 10 0 FCAEHM CN(C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C(=O)c1ccccc1[O-] ZINC001718749104 1287553539 /nfs/dbraw/zinc/55/35/39/1287553539.db2.gz CNIRNYUBXKEBQC-IACUBPJLSA-N -1 3 358.398 0.468 10 0 FCAEHM CCOc1nnc(NC(=O)c2ccc(S(=O)(=O)CCOC)cc2)[n-]1 ZINC001632531509 1282184039 /nfs/dbraw/zinc/18/40/39/1282184039.db2.gz MOZUSVBWFDQKJS-UHFFFAOYSA-N -1 3 354.388 0.876 10 0 FCAEHM CCOc1nc(NC(=O)c2ccc(S(=O)(=O)CCOC)cc2)n[n-]1 ZINC001632531509 1282184054 /nfs/dbraw/zinc/18/40/54/1282184054.db2.gz MOZUSVBWFDQKJS-UHFFFAOYSA-N -1 3 354.388 0.876 10 0 FCAEHM CCOc1n[n-]c(NC(=O)c2ccc(S(=O)(=O)CCOC)cc2)n1 ZINC001632531509 1282184057 /nfs/dbraw/zinc/18/40/57/1282184057.db2.gz MOZUSVBWFDQKJS-UHFFFAOYSA-N -1 3 354.388 0.876 10 0 FCAEHM CCCCCS(=O)(=O)CC(=O)N[C@@H](C)c1nnc(C(=O)OCC)[n-]1 ZINC001632567601 1282186636 /nfs/dbraw/zinc/18/66/36/1282186636.db2.gz PKKSWSVJWTXRAA-JTQLQIEISA-N -1 3 360.436 0.764 10 0 FCAEHM CNC(=O)CCCNC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC001585137478 1282204291 /nfs/dbraw/zinc/20/42/91/1282204291.db2.gz NWHQZBRQDIRVMT-UHFFFAOYSA-N -1 3 357.414 0.715 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2s1 ZINC001632758917 1282205269 /nfs/dbraw/zinc/20/52/69/1282205269.db2.gz YJZLYLMOIKHABL-JIMOISOXSA-N -1 3 362.411 0.319 10 0 FCAEHM CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001585169997 1282207026 /nfs/dbraw/zinc/20/70/26/1282207026.db2.gz UQNHXGUOBKYHFC-CYBMUJFWSA-N -1 3 372.385 0.970 10 0 FCAEHM CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001585169997 1282207030 /nfs/dbraw/zinc/20/70/30/1282207030.db2.gz UQNHXGUOBKYHFC-CYBMUJFWSA-N -1 3 372.385 0.970 10 0 FCAEHM C[C@H](C(=O)NCCCc1c[n-][nH]c1=O)c1ccc(S(C)(=O)=O)cc1 ZINC001585937678 1282258470 /nfs/dbraw/zinc/25/84/70/1282258470.db2.gz ODGDRPNWALZLEL-AAEUAGOBSA-N -1 3 351.428 0.822 10 0 FCAEHM CN1C(=O)CN(C(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)CC1=O ZINC001634003762 1282291152 /nfs/dbraw/zinc/29/11/52/1282291152.db2.gz YWKDKAQDBNLMCL-UHFFFAOYSA-N -1 3 354.388 0.931 10 0 FCAEHM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@H]1CCn2cncc21 ZINC001634085383 1282296063 /nfs/dbraw/zinc/29/60/63/1282296063.db2.gz XJCHXMCMUFNFEG-AWEZNQCLSA-N -1 3 372.429 0.718 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N[C@@H]1Cc2cccc(O)c2C1 ZINC001634243601 1282313231 /nfs/dbraw/zinc/31/32/31/1282313231.db2.gz KUZDEVGRRTVJBA-CHWSQXEVSA-N -1 3 355.398 0.933 10 0 FCAEHM Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)NCCc2n[n-]c(=S)o2)cn1 ZINC001634591152 1282337949 /nfs/dbraw/zinc/33/79/49/1282337949.db2.gz SKCCCGCQKBLMIY-RYUDHWBXSA-N -1 3 350.448 0.486 10 0 FCAEHM CN(C[C@@H](O)CNC(=O)c1cnc[n-]c1=O)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001718762629 1287560608 /nfs/dbraw/zinc/56/06/08/1287560608.db2.gz CKUANGOUTIQZPK-ZOBORPQBSA-N -1 3 360.414 0.334 10 0 FCAEHM COc1ncc(C=CC(=O)N2CCN(c3nc(C)cc(=O)[n-]3)CC2)cn1 ZINC001634978103 1282368785 /nfs/dbraw/zinc/36/87/85/1282368785.db2.gz RDEDFRWXFWEWEB-ONEGZZNKSA-N -1 3 356.386 0.651 10 0 FCAEHM COC(=O)N[C@@H](CC(C)C)C(=O)N1CCN(c2nc(C)cc(=O)[n-]2)CC1 ZINC001634977563 1282368825 /nfs/dbraw/zinc/36/88/25/1282368825.db2.gz HXIAAMSISASDKY-ZDUSSCGKSA-N -1 3 365.434 0.910 10 0 FCAEHM C[C@H](NC(=O)[C@@]1(C)CCCS1(=O)=O)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001635007944 1282372637 /nfs/dbraw/zinc/37/26/37/1282372637.db2.gz ZAHRDNRSUVXXCI-XMZIXOGTSA-N -1 3 369.443 0.834 10 0 FCAEHM CN(C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(=O)c1ccccc1[O-] ZINC001718778535 1287573406 /nfs/dbraw/zinc/57/34/06/1287573406.db2.gz BIWIPKDZDCHWQW-YGGMAOAASA-N -1 3 374.437 0.707 10 0 FCAEHM CSc1ccc([C@@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)N(C)C)cc1 ZINC001636321175 1282485383 /nfs/dbraw/zinc/48/53/83/1282485383.db2.gz DKYZTWXJYPHQOA-GFCCVEGCSA-N -1 3 351.432 0.830 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])N1Cc2cncnc2C1 ZINC001636606659 1282523745 /nfs/dbraw/zinc/52/37/45/1282523745.db2.gz XHDHZBZCBVVOTK-UHFFFAOYSA-N -1 3 353.313 0.820 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c([O-])cc1=O)N1Cc2cncnc2C1 ZINC001636606659 1282523755 /nfs/dbraw/zinc/52/37/55/1282523755.db2.gz XHDHZBZCBVVOTK-UHFFFAOYSA-N -1 3 353.313 0.820 10 0 FCAEHM CN(C)c1ncc(Br)c(C(=O)NCc2cc(=O)c([O-])co2)n1 ZINC001636742845 1282534566 /nfs/dbraw/zinc/53/45/66/1282534566.db2.gz RGTITBKMSNCRAJ-UHFFFAOYSA-N -1 3 369.175 0.894 10 0 FCAEHM O=C(Cn1nnc(-c2ccccc2)n1)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001636854991 1282542325 /nfs/dbraw/zinc/54/23/25/1282542325.db2.gz IOQPERZDMQBNTA-CYBMUJFWSA-N -1 3 366.385 0.231 10 0 FCAEHM O=C(C[C@@H]1Oc2ccccc2NC1=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001636855028 1282543224 /nfs/dbraw/zinc/54/32/24/1282543224.db2.gz JPKRXCWLDPSCNL-FZMZJTMJSA-N -1 3 369.381 0.667 10 0 FCAEHM COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(=O)[n-]cn1 ZINC001637197509 1282576022 /nfs/dbraw/zinc/57/60/22/1282576022.db2.gz XGOLHKDZMBREES-NSHDSACASA-N -1 3 352.391 0.890 10 0 FCAEHM C[C@@H]1COCCN1C1CCN(C(=O)CNC(=O)c2ncccc2[O-])CC1 ZINC001637998017 1282649504 /nfs/dbraw/zinc/64/95/04/1282649504.db2.gz BVQOCSPBKZGYFX-CYBMUJFWSA-N -1 3 362.430 0.229 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCC[C@@H](NC(=O)c3cnc4n3CCOC4)C2)n1 ZINC001638190648 1282668778 /nfs/dbraw/zinc/66/87/78/1282668778.db2.gz QVVLARKMUFGINO-GFCCVEGCSA-N -1 3 358.402 0.616 10 0 FCAEHM Cc1cccc(NCCNC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)n1 ZINC001638621430 1282710117 /nfs/dbraw/zinc/71/01/17/1282710117.db2.gz QFXKNEUQIBBYKS-CYBMUJFWSA-N -1 3 357.418 0.876 10 0 FCAEHM O=C(CNC(=O)c1ccc([O-])cc1)NCc1cn(C2CC2)c(=O)[nH]c1=O ZINC001639017349 1282740013 /nfs/dbraw/zinc/74/00/13/1282740013.db2.gz ODVVLPQCYOVVNC-UHFFFAOYSA-N -1 3 358.354 0.036 10 0 FCAEHM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1C[C@H](N2CCOCC2)C1(C)C ZINC001639629783 1282799413 /nfs/dbraw/zinc/79/94/13/1282799413.db2.gz CGNPEDOCUANXTC-ZJUUUORDSA-N -1 3 352.391 0.126 10 0 FCAEHM O=C([N-]c1n[nH]c(Cc2cccc(F)c2)n1)c1cn(C(F)(F)CO)nn1 ZINC001639701826 1282808543 /nfs/dbraw/zinc/80/85/43/1282808543.db2.gz BPCFPRHKKSLNKI-UHFFFAOYSA-N -1 3 367.291 0.920 10 0 FCAEHM COc1ccc(COCC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)cn1 ZINC001640109540 1282840051 /nfs/dbraw/zinc/84/00/51/1282840051.db2.gz GXUCUPVYXBXWFV-CYBMUJFWSA-N -1 3 359.386 0.498 10 0 FCAEHM O=C(CCNS(=O)(=O)c1ccccc1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001640595355 1282880427 /nfs/dbraw/zinc/88/04/27/1282880427.db2.gz SSKXGJVYXUKPLP-GFCCVEGCSA-N -1 3 364.427 0.800 10 0 FCAEHM CNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)cc1 ZINC001640595288 1282881115 /nfs/dbraw/zinc/88/11/15/1282881115.db2.gz RSSMMDNWQGZJAQ-LBPRGKRZSA-N -1 3 364.427 0.582 10 0 FCAEHM Cn1cnnc1[C@@H](CO)NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001640998978 1282916990 /nfs/dbraw/zinc/91/69/90/1282916990.db2.gz JAMMZFJBSBHRCP-LLVKDONJSA-N -1 3 373.822 0.303 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)c1nn(-c2ccc(F)cc2)ccc1=O ZINC001641484072 1282955444 /nfs/dbraw/zinc/95/54/44/1282955444.db2.gz YBCHIAHELRLPQH-NSHDSACASA-N -1 3 357.345 0.613 10 0 FCAEHM COc1ccc(C)cc1N1C[C@@H](C(=O)NCCCc2c[n-][nH]c2=O)CC1=O ZINC001642444865 1283010510 /nfs/dbraw/zinc/01/05/10/1283010510.db2.gz CGBPEWJSZSPBDY-KBPBESRZSA-N -1 3 372.425 0.985 10 0 FCAEHM COc1ccc(C)cc1N1C[C@H](C(=O)NCCCc2c[n-][nH]c2=O)CC1=O ZINC001642444868 1283011380 /nfs/dbraw/zinc/01/13/80/1283011380.db2.gz CGBPEWJSZSPBDY-ZIAGYGMSSA-N -1 3 372.425 0.985 10 0 FCAEHM CC(C)[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C[C@H]1O ZINC001682678848 1283754057 /nfs/dbraw/zinc/75/40/57/1283754057.db2.gz WXEWQGGZMDFEER-ZLKJLUDKSA-N -1 3 362.430 0.653 10 0 FCAEHM CCC(CC)[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@@H]1O ZINC001683554980 1284029895 /nfs/dbraw/zinc/02/98/95/1284029895.db2.gz MSIZYKYVRLVVDQ-GDLCADMTSA-N -1 3 350.419 0.556 10 0 FCAEHM Cc1nc(C)c(CC(=O)N2C[C@@H](NC(=O)[C@H](C)C(C)C)[C@@H](O)C2)c(=O)[n-]1 ZINC001683710055 1284092380 /nfs/dbraw/zinc/09/23/80/1284092380.db2.gz IUNUXQWENNYFHP-KMUNFCNLSA-N -1 3 364.446 0.322 10 0 FCAEHM CC[C@H](C)[C@H](NC(C)=O)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC001684425082 1284172303 /nfs/dbraw/zinc/17/23/03/1284172303.db2.gz AGDANOWDXGKQTN-DNVSUFBTSA-N -1 3 364.450 0.370 10 0 FCAEHM O=C(CCOC[C@@H]1CCCO1)NC[C@H]1CC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC001684473517 1284182984 /nfs/dbraw/zinc/18/29/84/1284182984.db2.gz SDAIUCVMEYUSCD-MJBXVCDLSA-N -1 3 365.434 0.405 10 0 FCAEHM NC(=O)CCC1CCN(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)CC1 ZINC001684555534 1284199965 /nfs/dbraw/zinc/19/99/65/1284199965.db2.gz AGDXQOHINYIMOM-CYBMUJFWSA-N -1 3 362.434 0.448 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](NC(=O)CCC(F)(F)F)[C@@H](O)C1 ZINC001735914399 1289021793 /nfs/dbraw/zinc/02/17/93/1289021793.db2.gz RFCFXFPKGDLRMX-BDAKNGLRSA-N -1 3 362.308 0.135 10 0 FCAEHM COCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001702432367 1285673624 /nfs/dbraw/zinc/67/36/24/1285673624.db2.gz UPWRYGWEIZKMHP-ZIAGYGMSSA-N -1 3 359.382 0.374 10 0 FCAEHM COCCCOCC(=O)N[C@H]1CCN(C(=O)c2c(C)nc[n-]c2=O)[C@@H]1C ZINC001702727059 1285826951 /nfs/dbraw/zinc/82/69/51/1285826951.db2.gz NOJCPPBKCFLCIM-OLZOCXBDSA-N -1 3 366.418 0.263 10 0 FCAEHM C[C@@H]1CN(C(=O)CNC(=O)C2CC2)C[C@H]1CNC(=O)c1ccccc1[O-] ZINC001702783770 1285860909 /nfs/dbraw/zinc/86/09/09/1285860909.db2.gz UKLIUFOCZXUBOV-TZMCWYRMSA-N -1 3 359.426 0.743 10 0 FCAEHM CCOCCOCC(=O)N1C[C@@H](CNC(=O)c2cnc[n-]c2=O)[C@H](C)C1 ZINC001702802919 1285888089 /nfs/dbraw/zinc/88/80/89/1285888089.db2.gz SXLCFLVGRDLSOQ-CHWSQXEVSA-N -1 3 366.418 0.060 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCOC1 ZINC001702997221 1286044842 /nfs/dbraw/zinc/04/48/42/1286044842.db2.gz IVNSHVMVJGWRKS-XOUADPBQSA-N -1 3 374.441 0.708 10 0 FCAEHM O=C(NCCNC(=O)[C@@H]1CCO[C@H]1c1ccncc1)c1cnc[n-]c1=O ZINC001703206971 1286094210 /nfs/dbraw/zinc/09/42/10/1286094210.db2.gz UBTAGDLAWVHHDP-OCCSQVGLSA-N -1 3 357.370 0.201 10 0 FCAEHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)NCc1nc(C(F)(F)F)n2c1CCCC2 ZINC001595432866 1286248120 /nfs/dbraw/zinc/24/81/20/1286248120.db2.gz CTECRKBAQXZASW-UHFFFAOYSA-N -1 3 372.307 0.952 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H](CNC(=O)c1cnc[n-]c1=O)C(C)C ZINC001704852837 1286308615 /nfs/dbraw/zinc/30/86/15/1286308615.db2.gz SGEPTRVNTHJRAP-XBFCOCLRSA-N -1 3 350.419 0.868 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)c1cc(=O)[nH]cn1 ZINC001596983248 1286322589 /nfs/dbraw/zinc/32/25/89/1286322589.db2.gz VBQRWDNRBNPCOL-UHFFFAOYSA-N -1 3 362.820 0.605 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)CCCNC(=O)C3CC3)CC2)n1 ZINC001597292633 1286337194 /nfs/dbraw/zinc/33/71/94/1286337194.db2.gz JQGKBTFSNQXNSX-UHFFFAOYSA-N -1 3 361.446 0.882 10 0 FCAEHM Cc1ccn(C[C@H](C)C(=O)NC[C@H]2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)n1 ZINC001707106200 1286445110 /nfs/dbraw/zinc/44/51/10/1286445110.db2.gz YXTBJSIARUHRGU-FPMFFAJLSA-N -1 3 361.450 0.726 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)CCN1CCOCC1CC1 ZINC001707256415 1287106255 /nfs/dbraw/zinc/10/62/55/1287106255.db2.gz LKUCBICVEFAZAO-YPMHNXCESA-N -1 3 365.434 0.221 10 0 FCAEHM CCOCCC(=O)NC[C@H]1CC[C@@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001736089706 1289137000 /nfs/dbraw/zinc/13/70/00/1289137000.db2.gz OMBZCXWPQSTIGQ-QWHCGFSZSA-N -1 3 350.419 0.932 10 0 FCAEHM CNC(=O)CCCCC(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@@H]1O ZINC001719283549 1288023511 /nfs/dbraw/zinc/02/35/11/1288023511.db2.gz KVCPRCYIUNJQIZ-HIFRSBDPSA-N -1 3 363.414 0.000 10 0 FCAEHM COCC1(C(=O)N2C[C@H]3CCN(C(=O)c4c(C)nc[n-]c4=O)C[C@H]32)CC1 ZINC001719335745 1288099853 /nfs/dbraw/zinc/09/98/53/1288099853.db2.gz JJORMJRWBRTTJQ-CHWSQXEVSA-N -1 3 360.414 0.590 10 0 FCAEHM CO[C@@H](C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)c1cnc[n-]c1=O)C1CC1 ZINC001719508385 1288159323 /nfs/dbraw/zinc/15/93/23/1288159323.db2.gz PSYROJLRDJVVGF-OSAQELSMSA-N -1 3 362.430 0.964 10 0 FCAEHM CCC=C(C)C(=O)NCc1nc(CNC(=O)[C@]23C[C@H]2COC3)cc(=O)[n-]1 ZINC001719522523 1288166521 /nfs/dbraw/zinc/16/65/21/1288166521.db2.gz ONNXLCZLCSBPOH-FKFAOYOGSA-N -1 3 360.414 0.807 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H](CNC(=O)c1c(C)nc[n-]c1=O)C1CC1 ZINC001720751886 1288263136 /nfs/dbraw/zinc/26/31/36/1288263136.db2.gz RSZYACKZDQWZGI-ZLDLUXBVSA-N -1 3 362.430 0.930 10 0 FCAEHM CCC[C@@H]1C[C@H]1C(=O)N(C)C[C@@H](O)CN(C)C(=O)c1c(C)nc[n-]c1=O ZINC001735432935 1288743065 /nfs/dbraw/zinc/74/30/65/1288743065.db2.gz RBTCXPLECIQCKM-MGPQQGTHSA-N -1 3 364.446 0.818 10 0 FCAEHM CCOCCOCC(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1OC ZINC001735882282 1288986357 /nfs/dbraw/zinc/98/63/57/1288986357.db2.gz ZLMRBJFFTRTHDS-GDBMZVCRSA-N -1 3 366.414 0.401 10 0 FCAEHM C[C@@H](C(=O)NC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C)n1cccn1 ZINC001736349262 1289270811 /nfs/dbraw/zinc/27/08/11/1289270811.db2.gz CXVQGQRFBVCXEY-FRRDWIJNSA-N -1 3 358.402 0.464 10 0 FCAEHM O=C(CCc1cnccn1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O ZINC001736587569 1289458493 /nfs/dbraw/zinc/45/84/93/1289458493.db2.gz LGGGLQQOMWQNSY-YUELXQCFSA-N -1 3 368.397 0.467 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CCNC(=O)c1c(C)nc[n-]c1=O ZINC001737674154 1289571783 /nfs/dbraw/zinc/57/17/83/1289571783.db2.gz PDILFRZGCONKAP-RTXFEEFZSA-N -1 3 350.419 0.930 10 0 FCAEHM CS[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C[C@H]1O ZINC001702157455 1289759573 /nfs/dbraw/zinc/75/95/73/1289759573.db2.gz CXIPREBKLSLEBA-XXILOJSOSA-N -1 3 366.443 0.113 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC001615926113 1289766139 /nfs/dbraw/zinc/76/61/39/1289766139.db2.gz ULILUKKSPAATOV-GJZGRUSLSA-N -1 3 357.414 0.562 10 0 FCAEHM Cn1cc(N2C[C@H](C(=O)N3CCc4nc[n-]c(=O)c4C3)CCC2=O)cn1 ZINC001616765202 1289792221 /nfs/dbraw/zinc/79/22/21/1289792221.db2.gz NYFXUEITELZFHW-LLVKDONJSA-N -1 3 356.386 0.244 10 0 FCAEHM COCC1(CC(=O)N[C@@H]2CN(C(=O)c3c(C)nc[n-]c3=O)C[C@H]2C)CC1 ZINC001702249371 1289909000 /nfs/dbraw/zinc/90/90/00/1289909000.db2.gz XNFIHNZRINHNCC-DGCLKSJQSA-N -1 3 362.430 0.884 10 0 FCAEHM COC[C@@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001702290141 1289969987 /nfs/dbraw/zinc/96/99/87/1289969987.db2.gz HUSXKWHJVYHFRY-IVMMDQJWSA-N -1 3 357.414 0.812 10 0 FCAEHM Cn1ncc(I)c1CN1CC[C@@H](c2nn[n-]n2)C1 ZINC001620535829 1289997993 /nfs/dbraw/zinc/99/79/93/1289997993.db2.gz BSNZYHRBQVVANY-SSDOTTSWSA-N -1 3 359.175 0.527 10 0 FCAEHM Cn1ncc(I)c1CN1CC[C@@H](c2nnn[n-]2)C1 ZINC001620535829 1289997985 /nfs/dbraw/zinc/99/79/85/1289997985.db2.gz BSNZYHRBQVVANY-SSDOTTSWSA-N -1 3 359.175 0.527 10 0 FCAEHM COC(=O)[C@@](C)(Cc1ccc(F)cc1)NCc1cc(=O)n2nc(N)[n-]c2n1 ZINC001620540100 1289998280 /nfs/dbraw/zinc/99/82/80/1289998280.db2.gz GDQHMKWOGPQDSK-QGZVFWFLSA-N -1 3 374.376 0.403 10 0 FCAEHM O=C(CN1CCC(Cc2nnn[n-]2)CC1)N1CC(=O)Nc2ccccc21 ZINC001620549248 1290000108 /nfs/dbraw/zinc/00/01/08/1290000108.db2.gz WIORLTJJRLSSQQ-UHFFFAOYSA-N -1 3 355.402 0.440 10 0 FCAEHM O=C(CN1CCC(Cc2nn[n-]n2)CC1)N1CC(=O)Nc2ccccc21 ZINC001620549248 1290000118 /nfs/dbraw/zinc/00/01/18/1290000118.db2.gz WIORLTJJRLSSQQ-UHFFFAOYSA-N -1 3 355.402 0.440 10 0 FCAEHM CCCC[C@](C)(F)C(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1 ZINC001739645843 1290290540 /nfs/dbraw/zinc/29/05/40/1290290540.db2.gz VXCRTGSBNXPMEH-WQGACYEGSA-N -1 3 354.382 0.402 10 0 FCAEHM Cn1c(=O)n(C)c2cc(NC(=O)c3cc4n(n3)CCC[C@@H]4O)c([O-])cc21 ZINC001625597202 1290355063 /nfs/dbraw/zinc/35/50/63/1290355063.db2.gz YEGLOWYSFWDSDI-AWEZNQCLSA-N -1 3 357.370 0.859 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC001627147989 1290440566 /nfs/dbraw/zinc/44/05/66/1290440566.db2.gz WORLYRHOZDYRTF-CQSZACIVSA-N -1 3 355.398 0.793 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H](F)C1CN(C(=O)OC(C)(C)C)C1 ZINC001627152737 1290440963 /nfs/dbraw/zinc/44/09/63/1290440963.db2.gz JHYDUPZIKJTILK-NWDGAFQWSA-N -1 3 356.398 0.820 10 0 FCAEHM CCN(CC)CC(=O)N1CCN(C(=O)c2cnc(SC)[n-]c2=O)CC1 ZINC001627351421 1290457425 /nfs/dbraw/zinc/45/74/25/1290457425.db2.gz DJWRIQMWWYBXJC-UHFFFAOYSA-N -1 3 367.475 0.530 10 0 FCAEHM COc1cccc(-n2cc(C(=O)NCc3cc(=O)[n-]c(=S)[nH]3)nn2)c1 ZINC001628259184 1290520904 /nfs/dbraw/zinc/52/09/04/1290520904.db2.gz PMBYJZVHWGVVPA-UHFFFAOYSA-N -1 3 358.383 0.990 10 0 FCAEHM O=C(CCSc1ncnc2[nH]cnc21)[N-]OCCN1CCCC1=O ZINC001630753803 1290697093 /nfs/dbraw/zinc/69/70/93/1290697093.db2.gz REVRQFILKYFLRI-UHFFFAOYSA-N -1 3 350.404 0.505 10 0 FCAEHM COCCN1CCC[C@H](NC(=O)c2nc[n-]c(=O)c2Br)C1 ZINC001643288844 1290869841 /nfs/dbraw/zinc/86/98/41/1290869841.db2.gz MVMRTOBTSXLTTP-VIFPVBQESA-N -1 3 359.224 0.785 10 0 FCAEHM O=S1(=O)CCN(Cc2nnc(-c3ccccc3[O-])o2)[C@H]2CCOC[C@@H]21 ZINC001643365089 1290879184 /nfs/dbraw/zinc/87/91/84/1290879184.db2.gz VATWGEAZZLWYQN-JSGCOSHPSA-N -1 3 365.411 0.830 10 0 FCAEHM CS(=O)(=O)Cc1nc(C(=O)N2Cc3nc(C4CC4)[n-]c(=O)c3C2)co1 ZINC001643954757 1290932715 /nfs/dbraw/zinc/93/27/15/1290932715.db2.gz GTTQRLHZNYIGSG-UHFFFAOYSA-N -1 3 364.383 0.748 10 0 FCAEHM CNS(=O)(=O)c1cc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)ccc1F ZINC001644260492 1290950378 /nfs/dbraw/zinc/95/03/78/1290950378.db2.gz AHIANSQCGKAFSV-JTQLQIEISA-N -1 3 368.390 0.792 10 0 FCAEHM CS(=O)(=O)c1ccc(F)c(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)c1 ZINC001644268716 1290951247 /nfs/dbraw/zinc/95/12/47/1290951247.db2.gz IFFZXSCTFXVGFC-UHFFFAOYSA-N -1 3 357.388 0.944 10 0 FCAEHM CS(C)(=O)=NS(=O)(=O)CCNC(=O)c1cc([O-])ccc1Cl ZINC001644902712 1290993386 /nfs/dbraw/zinc/99/33/86/1290993386.db2.gz YHEJJBMVRUTTDW-UHFFFAOYSA-N -1 3 354.837 0.833 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@@H](O)[C@@H](O)C2)ccc1F ZINC001645569023 1291035467 /nfs/dbraw/zinc/03/54/67/1291035467.db2.gz RZJBNXGJEOBOKO-BNOWGMLFSA-N -1 3 374.434 0.517 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)COCc3cc[nH]c(=O)c3)CC2)n1 ZINC001645591342 1291037394 /nfs/dbraw/zinc/03/73/94/1291037394.db2.gz HMLADWVPRBSKMR-UHFFFAOYSA-N -1 3 359.386 0.457 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)c3c[nH]nc3-c3cnn(C)c3)CC2)n1 ZINC001645591827 1291037601 /nfs/dbraw/zinc/03/76/01/1291037601.db2.gz LXLZEWJPTMRCGK-UHFFFAOYSA-N -1 3 368.401 0.577 10 0 FCAEHM NC(=O)C1CC2(C1)C[C@H]([N-]C(=O)C(F)(F)C(F)F)CCS2(=O)=O ZINC001646221354 1291062668 /nfs/dbraw/zinc/06/26/68/1291062668.db2.gz GANHQMUQSDJOOL-UXEXPGAESA-N -1 3 360.329 0.214 10 0 FCAEHM CC1(C)NC(=O)N(CC(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)C1=O ZINC001648504124 1291126352 /nfs/dbraw/zinc/12/63/52/1291126352.db2.gz ARWKEDSOFZYYNI-XYPYZODXSA-N -1 3 361.402 0.655 10 0 FCAEHM O=C(Cn1nc2n(c1=O)CCCC2)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001648507602 1291126522 /nfs/dbraw/zinc/12/65/22/1291126522.db2.gz AYDYXBBEKMCGSU-JOCQHMNTSA-N -1 3 372.429 0.719 10 0 FCAEHM COC(=O)[C@@]1(NC(=O)CCNC(=O)c2ccc(C)cc2[O-])C[C@H](O)C1 ZINC001650884510 1291183463 /nfs/dbraw/zinc/18/34/63/1291183463.db2.gz VLOYPMGMEZBPMS-OYHSWFHJSA-N -1 3 350.371 0.003 10 0 FCAEHM COC(=O)[C@]12C[C@H]1CCCN2C(=O)C[N-]S(=O)(=O)c1c(C)noc1C ZINC001651239979 1291209559 /nfs/dbraw/zinc/20/95/59/1291209559.db2.gz OAYOCEIQZARYEM-ABAIWWIYSA-N -1 3 371.415 0.124 10 0 FCAEHM CC(C)OC(=O)c1cc(NC(=O)[C@@H]2CC(=O)N(c3cnn(C)c3)C2)[n-]n1 ZINC001652736551 1291296583 /nfs/dbraw/zinc/29/65/83/1291296583.db2.gz KHQOQLLUAZMDIF-SNVBAGLBSA-N -1 3 360.374 0.700 10 0 FCAEHM CC(C)OC(=O)c1cc(NC(=O)[C@@H]2CC(=O)N(c3cnn(C)c3)C2)n[n-]1 ZINC001652736551 1291296589 /nfs/dbraw/zinc/29/65/89/1291296589.db2.gz KHQOQLLUAZMDIF-SNVBAGLBSA-N -1 3 360.374 0.700 10 0 FCAEHM C[C@H](NC(=O)[C@](C)(O)Cn1ccccc1=O)c1nc(C(F)(F)F)n[n-]1 ZINC001652798772 1291299794 /nfs/dbraw/zinc/29/97/94/1291299794.db2.gz LBIPBBKOLVRCMP-ISVAXAHUSA-N -1 3 359.308 0.614 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)C1(n2cnnn2)CCCCC1 ZINC001653312663 1291334142 /nfs/dbraw/zinc/33/41/42/1291334142.db2.gz LIZZBLCNWSJDIV-LBPRGKRZSA-N -1 3 358.406 0.223 10 0 FCAEHM O=C(Cn1ncc2ccccc2c1=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001653309600 1291334705 /nfs/dbraw/zinc/33/47/05/1291334705.db2.gz GKJSZQIJFBLDTN-ZDUSSCGKSA-N -1 3 366.381 0.287 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)[C@@]1(C2CCCC2)CCNC1=O ZINC001653312473 1291335518 /nfs/dbraw/zinc/33/55/18/1291335518.db2.gz IYRDYKQLVIBSIG-FZKQIMNGSA-N -1 3 359.430 0.574 10 0 FCAEHM CC(C)[C@@H](O)CCN1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC001653346240 1291338120 /nfs/dbraw/zinc/33/81/20/1291338120.db2.gz ZUAALEMIDMXPFJ-LBPRGKRZSA-N -1 3 361.430 0.844 10 0 FCAEHM NC(=O)c1nccnc1NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001655404893 1291466880 /nfs/dbraw/zinc/46/68/80/1291466880.db2.gz SOFUPKMMQIAGIY-UHFFFAOYSA-N -1 3 357.342 0.244 10 0 FCAEHM Cn1[n-]c(CN[C@@]2(CO)CCCN(C(=O)[C@@H]3C[C@H]3C(C)(C)C)C2)nc1=O ZINC001673683799 1292120650 /nfs/dbraw/zinc/12/06/50/1292120650.db2.gz ZCGHKHQGZDCKHT-VFVRVIDISA-N -1 3 365.478 0.234 10 0 FCAEHM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N[C@@H](CO)c1cccc(F)c1 ZINC001675456962 1292177765 /nfs/dbraw/zinc/17/77/65/1292177765.db2.gz WSFKMERKWZUQMZ-AWEZNQCLSA-N -1 3 362.361 0.927 10 0 FCAEHM COC[C@H](NC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)[C@H]1CCCOC1 ZINC001676119085 1292194249 /nfs/dbraw/zinc/19/42/49/1292194249.db2.gz UYGMHQUECFMQJE-IHRRRGAJSA-N -1 3 365.434 0.502 10 0 FCAEHM O=C(NC1(CCO)CN(C(=O)c2ccccc2[O-])C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001678407609 1292267599 /nfs/dbraw/zinc/26/75/99/1292267599.db2.gz OVDZGEDBKVASGT-VUBIOHBQSA-N -1 3 372.421 0.509 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2c(C)nc[n-]c2=O)CCN1C(=O)[C@H](C)CC(N)=O ZINC001684983240 1292389669 /nfs/dbraw/zinc/38/96/69/1292389669.db2.gz LCLYXQKOKGYFKY-ADEWGFFLSA-N -1 3 363.418 0.111 10 0 FCAEHM CCOCC(=O)N1CC[C@H](NC(=O)Cc2c(C)nc(C)[n-]c2=O)[C@H]1C ZINC001685242071 1292467012 /nfs/dbraw/zinc/46/70/12/1292467012.db2.gz VUKLHTQYOSWINM-RISCZKNCSA-N -1 3 350.419 0.484 10 0 FCAEHM CCCOCC(=O)N1CC[C@H](NC(=O)CCc2c(C)nc[n-]c2=O)[C@H]1C ZINC001685302304 1292490724 /nfs/dbraw/zinc/49/07/24/1292490724.db2.gz REUOSHYWJLMTIP-HIFRSBDPSA-N -1 3 364.446 0.955 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N[C@@H]1COc2ccccc2[C@H]1O ZINC001685574795 1292563157 /nfs/dbraw/zinc/56/31/57/1292563157.db2.gz PUFQBRIYKILFNX-CJBNDPTMSA-N -1 3 371.397 0.555 10 0 FCAEHM CC(C)OC[C@@H](CO)N(C)C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001685644695 1292581195 /nfs/dbraw/zinc/58/11/95/1292581195.db2.gz GNQCNONMURUMKR-QWHCGFSZSA-N -1 3 353.423 0.188 10 0 FCAEHM C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001685649797 1292583065 /nfs/dbraw/zinc/58/30/65/1292583065.db2.gz REQSNISUMISWBJ-RYUDHWBXSA-N -1 3 364.450 0.706 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CCC2(CNC(=O)O2)CC1 ZINC001685649503 1292583113 /nfs/dbraw/zinc/58/31/13/1292583113.db2.gz LHOAZPIDXLAHQF-NSHDSACASA-N -1 3 362.390 0.045 10 0 FCAEHM C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001685649795 1292583453 /nfs/dbraw/zinc/58/34/53/1292583453.db2.gz REQSNISUMISWBJ-NEPJUHHUSA-N -1 3 364.450 0.706 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC001685921913 1292698413 /nfs/dbraw/zinc/69/84/13/1292698413.db2.gz WRSOZOXMOAGXIV-PBFPGSCMSA-N -1 3 363.418 0.398 10 0 FCAEHM COCCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O ZINC001686097857 1292765898 /nfs/dbraw/zinc/76/58/98/1292765898.db2.gz BDADEWOYYWSORB-XBFCOCLRSA-N -1 3 364.402 0.097 10 0 FCAEHM O=C(CNC(=O)C1CCCCC1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn[n-]n1)C2 ZINC001686203623 1292822468 /nfs/dbraw/zinc/82/24/68/1292822468.db2.gz BKGAJTMYMFGMJC-NFAWXSAZSA-N -1 3 374.445 0.363 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCCC(N)=O ZINC001686236860 1292844719 /nfs/dbraw/zinc/84/47/19/1292844719.db2.gz YJVXQUHFAKBKPW-UTUOFQBUSA-N -1 3 361.402 0.008 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CC[C@@H](Cn2ccnn2)C1 ZINC001687789864 1293012982 /nfs/dbraw/zinc/01/29/82/1293012982.db2.gz NENCYFRPNMYKCF-OLZOCXBDSA-N -1 3 358.406 0.084 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N[C@H]1CCCC2(C1)OCCO2 ZINC001687790190 1293014654 /nfs/dbraw/zinc/01/46/54/1293014654.db2.gz WRRSTIPEVBLWCA-QWHCGFSZSA-N -1 3 363.418 0.746 10 0 FCAEHM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]CCNC(=O)c1ccccc1 ZINC000750991623 836456175 /nfs/dbraw/zinc/45/61/75/836456175.db2.gz OJOKORURPSJSSB-UHFFFAOYSA-N -1 3 366.399 0.213 10 0 FCAEHM COCCN1CCC(NC(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-])CC1 ZINC001118148965 847297515 /nfs/dbraw/zinc/29/75/15/847297515.db2.gz SAHMODIXKYYTLN-ZDUSSCGKSA-N -1 3 357.451 0.077 10 0 FCAEHM CO[C@@H]1CN(C(=O)NCCN2CCN(C)C(C)(C)C2)[C@@](C)(C(=O)[O-])C1 ZINC001119640315 847919130 /nfs/dbraw/zinc/91/91/30/847919130.db2.gz JZNPCIFBJAZSIH-SUMWQHHRSA-N -1 3 356.467 0.286 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001136654148 849232777 /nfs/dbraw/zinc/23/27/77/849232777.db2.gz UZHXIXNJLOFKCV-VXGBXAGGSA-N -1 3 354.407 0.251 10 0 FCAEHM COCCN(CC(=O)NCCc1c(C)[n-][nH]c1=O)C(=O)OC(C)(C)C ZINC001136653925 849233020 /nfs/dbraw/zinc/23/30/20/849233020.db2.gz LRKVJMRDYYTLNL-LBPRGKRZSA-N -1 3 356.423 0.498 10 0 FCAEHM CC(C)(C)OC(=O)C1(C(=O)NCCCc2cc(=O)[nH][n-]2)CCOCC1 ZINC001141691225 849405852 /nfs/dbraw/zinc/40/58/52/849405852.db2.gz KJKNLXXILBLATE-UHFFFAOYSA-N -1 3 353.419 0.897 10 0 FCAEHM CCNS(=O)(=O)c1ccc(C(=O)NCCCc2c[n-][nH]c2=O)cc1 ZINC001149263233 849634419 /nfs/dbraw/zinc/63/44/19/849634419.db2.gz SGAFBFCBYMXBFF-LBPRGKRZSA-N -1 3 352.416 0.227 10 0 FCAEHM COC(=O)[C@]1(O)CCN(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)C1 ZINC001175863141 850776534 /nfs/dbraw/zinc/77/65/34/850776534.db2.gz QCANKNWREJWHST-INIZCTEOSA-N -1 3 350.758 0.932 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](O)Cc2ccccc2F)c(C)o1 ZINC001177980443 850878259 /nfs/dbraw/zinc/87/82/59/850878259.db2.gz DPEUBYDSHQGXBJ-LBPRGKRZSA-N -1 3 370.402 0.969 10 0 FCAEHM C[C@@H](NC(=O)C[C@@]1(C)CCS(=O)(=O)N1)c1nc(C(F)(F)F)n[n-]1 ZINC001179183910 850960008 /nfs/dbraw/zinc/96/00/08/850960008.db2.gz YOKOOKGMPAXILB-LHLIQPBNSA-N -1 3 355.342 0.473 10 0 FCAEHM NC(=O)c1ccc(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)nc1Cl ZINC001180028718 851009769 /nfs/dbraw/zinc/00/97/69/851009769.db2.gz UDJGHBRMPGWEDF-MRVPVSSYSA-N -1 3 362.777 0.338 10 0 FCAEHM O=C(CC[C@@H]1CC[C@@H](C2OCCO2)O1)Nc1n[n-]c(SCCO)n1 ZINC001182930754 851209940 /nfs/dbraw/zinc/20/99/40/851209940.db2.gz GEBRKMTZUWAOQR-UWVGGRQHSA-N -1 3 358.420 0.528 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NC[C@H](CO)Cc1ccoc1 ZINC001184191464 851294406 /nfs/dbraw/zinc/29/44/06/851294406.db2.gz ZVFSWXNVHYNMBH-CYBMUJFWSA-N -1 3 371.415 0.130 10 0 FCAEHM O=c1cc(CN2CCN(C[C@@H]3CCCS3(=O)=O)CC2)nc(C2CC2)[n-]1 ZINC001262300564 858860523 /nfs/dbraw/zinc/86/05/23/858860523.db2.gz NVCQHWGEJZGFEU-HNNXBMFYSA-N -1 3 366.487 0.754 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2ccccc2[O-])CCN1CCNS(C)(=O)=O ZINC001264600185 859390418 /nfs/dbraw/zinc/39/04/18/859390418.db2.gz GTKQWGYHPCZGIA-UONOGXRCSA-N -1 3 355.460 0.524 10 0 FCAEHM CCO[C@H](C(=O)Nc1c(C(=O)OC)c[n-]c1C(=O)OC)[C@H]1CCOC1 ZINC001269492194 859549880 /nfs/dbraw/zinc/54/98/80/859549880.db2.gz MSFLOYQWABHRPR-ZANVPECISA-N -1 3 354.359 0.968 10 0 FCAEHM CO[C@H](C(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1C)C(C)C ZINC001281800545 863752426 /nfs/dbraw/zinc/75/24/26/863752426.db2.gz AUSIOEFDXQKIGE-QKCSRTOESA-N -1 3 350.419 0.738 10 0 FCAEHM CO[C@@H]1CN(C(=O)CCC(C)(C)C)C[C@H]1NC(=O)c1cnc[n-]c1=O ZINC001281843535 863811273 /nfs/dbraw/zinc/81/12/73/863811273.db2.gz YOBJSOHGPRWAIR-CHWSQXEVSA-N -1 3 350.419 0.964 10 0 FCAEHM CCC[C@](C)(CC)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@@H]1O ZINC001281924785 863959163 /nfs/dbraw/zinc/95/91/63/863959163.db2.gz SMPJJBXYKOFDPO-IGCXYCKISA-N -1 3 350.419 0.700 10 0 FCAEHM COCCC(=O)N1CC[C@H](NC(=O)CCc2c(C)nc[n-]c2=O)[C@H]1C ZINC001282363303 864223719 /nfs/dbraw/zinc/22/37/19/864223719.db2.gz DMLSCFGCBRIRCK-OCCSQVGLSA-N -1 3 350.419 0.565 10 0 FCAEHM CSC[C@H](C)C(=O)N1C[C@@H]2CCN(C(=O)c3cnc[n-]c3=O)[C@@H]2C1 ZINC001288963837 864828762 /nfs/dbraw/zinc/82/87/62/864828762.db2.gz RBWYEAHKRRWDLK-GMXVVIOVSA-N -1 3 350.444 0.854 10 0 FCAEHM CC[C@@H](CC(C)C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001289110963 864923262 /nfs/dbraw/zinc/92/32/62/864923262.db2.gz NIUATKCZNLAVHO-IACUBPJLSA-N -1 3 350.419 0.556 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1NC(=O)C(C)(C)S(C)(=O)=O ZINC001289422162 865054633 /nfs/dbraw/zinc/05/46/33/865054633.db2.gz GYYSACVSSGSVSJ-DGCLKSJQSA-N -1 3 368.455 0.792 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)C[C@@H](OC)C(F)(F)F ZINC001290443723 865418230 /nfs/dbraw/zinc/41/82/30/865418230.db2.gz HMKCOKGMSYKLQC-JMJZKYOTSA-N -1 3 363.340 0.881 10 0 FCAEHM CON(C)S(=O)(=O)c1cccc(C(=O)NCCc2c(C)[n-][nH]c2=O)c1 ZINC001292967977 865765975 /nfs/dbraw/zinc/76/59/75/865765975.db2.gz IGPODUJQDKLWSH-ZDUSSCGKSA-N -1 3 368.415 0.110 10 0 FCAEHM CN1CCN(CC2CN(C(=O)c3ncc(Br)cc3[O-])C2)CC1 ZINC001298438287 866114402 /nfs/dbraw/zinc/11/44/02/866114402.db2.gz UOCUUGNKXNYWSL-UHFFFAOYSA-N -1 3 369.263 0.869 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCCCOc2ncccn2)c(C)o1 ZINC001300060471 866208900 /nfs/dbraw/zinc/20/89/00/866208900.db2.gz YZDYRCRYHOXUBK-UHFFFAOYSA-N -1 3 354.388 0.485 10 0 FCAEHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2coc(CS(C)(=O)=O)n2)n1 ZINC001300179465 866213692 /nfs/dbraw/zinc/21/36/92/866213692.db2.gz KAMKATLGEQXGMS-UHFFFAOYSA-N -1 3 354.388 0.688 10 0 FCAEHM Cc1cc(=O)[n-]c(CNC(=O)CCOC(=O)CNC(=O)C(C)(C)C)n1 ZINC001300200816 866214539 /nfs/dbraw/zinc/21/45/39/866214539.db2.gz DVHPFSCKJLKJPI-UHFFFAOYSA-N -1 3 352.391 0.202 10 0 FCAEHM CNS(=O)(=O)c1ccc(CC(=O)NCc2cc(=O)[n-]c(=S)[nH]2)cc1 ZINC001300198318 866215092 /nfs/dbraw/zinc/21/50/92/866215092.db2.gz XTMGRYJUJLUWOZ-UHFFFAOYSA-N -1 3 368.440 0.238 10 0 FCAEHM O=C(Cn1ccc(C(F)(F)F)n1)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001302843395 866360282 /nfs/dbraw/zinc/36/02/82/866360282.db2.gz RETCLJCVHNKUOE-UHFFFAOYSA-N -1 3 357.292 0.787 10 0 FCAEHM O=C([C@H]1CCCN1C(=O)C(F)(F)F)N1CCC(Cc2nnn[n-]2)CC1 ZINC001350336858 866568477 /nfs/dbraw/zinc/56/84/77/866568477.db2.gz MSCBUEFDQBOJBX-SNVBAGLBSA-N -1 3 360.340 0.534 10 0 FCAEHM O=C([C@H]1CCCN1C(=O)C(F)(F)F)N1CCC(Cc2nn[n-]n2)CC1 ZINC001350336858 866568481 /nfs/dbraw/zinc/56/84/81/866568481.db2.gz MSCBUEFDQBOJBX-SNVBAGLBSA-N -1 3 360.340 0.534 10 0 FCAEHM Cc1sc(=O)n(CCC(=O)N2CCC(Cc3nnn[n-]3)CC2)c1C ZINC001352696604 867229376 /nfs/dbraw/zinc/22/93/76/867229376.db2.gz QFWGOCNQSQWQKF-UHFFFAOYSA-N -1 3 350.448 0.911 10 0 FCAEHM Cc1sc(=O)n(CCC(=O)N2CCC(Cc3nn[n-]n3)CC2)c1C ZINC001352696604 867229392 /nfs/dbraw/zinc/22/93/92/867229392.db2.gz QFWGOCNQSQWQKF-UHFFFAOYSA-N -1 3 350.448 0.911 10 0 FCAEHM COC(=O)[C@H](Cn1cncn1)[N-]C(=O)C(F)(F)c1cccc(OC)c1 ZINC001353142440 867358544 /nfs/dbraw/zinc/35/85/44/867358544.db2.gz MIRPOCAOWNMYGP-LBPRGKRZSA-N -1 3 354.313 0.737 10 0 FCAEHM CCn1cc(CC(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)nn1 ZINC001355660594 867830865 /nfs/dbraw/zinc/83/08/65/867830865.db2.gz VRNSMARRTQONJJ-UHFFFAOYSA-N -1 3 355.395 0.668 10 0 FCAEHM COc1ccc(S(=O)(=O)C(F)(F)F)cc1[N-]C(=O)c1nnn(C)n1 ZINC001358412957 868223429 /nfs/dbraw/zinc/22/34/29/868223429.db2.gz QJEILQBVXCZDPS-UHFFFAOYSA-N -1 3 365.293 0.765 10 0 FCAEHM C[C@H](CC(F)(F)F)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@@H]1O ZINC001343628743 870524677 /nfs/dbraw/zinc/52/46/77/870524677.db2.gz VDPIJUXHRHJMAH-QNSHHTMESA-N -1 3 362.308 0.072 10 0 FCAEHM COCCOCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cnc[n-]c1=O ZINC001344054316 870723232 /nfs/dbraw/zinc/72/32/32/870723232.db2.gz CIUCDUKWFCPEQS-CHWSQXEVSA-N -1 3 352.391 0.002 10 0 FCAEHM CO[C@H](C(=O)N[C@@H]1CC[C@H](CNC(=O)c2cnc[n-]c2=O)C1)C(C)C ZINC001344287737 870805585 /nfs/dbraw/zinc/80/55/85/870805585.db2.gz PURVJHVLXASHID-SCRDCRAPSA-N -1 3 350.419 0.868 10 0 FCAEHM CCS(=O)(=O)CC(=O)N1C[C@@H](CNC(=O)c2ccccc2[O-])[C@H](C)C1 ZINC001345979859 871586170 /nfs/dbraw/zinc/58/61/70/871586170.db2.gz DJAUMXLALSUJPS-CHWSQXEVSA-N -1 3 368.455 0.651 10 0 FCAEHM COC[C@@H](OC)C(=O)NC[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC001346262567 871735035 /nfs/dbraw/zinc/73/50/35/871735035.db2.gz JQNZESCNEFITBO-XJKCOSOUSA-N -1 3 350.415 0.878 10 0 FCAEHM CC1(CNC(=O)C(=O)NCc2nc(C(F)(F)F)n[n-]2)CC(F)(F)C1 ZINC001331752723 873228829 /nfs/dbraw/zinc/22/88/29/873228829.db2.gz QYUXBWZBPYRYKH-UHFFFAOYSA-N -1 3 355.267 0.991 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)NC2CCN(CC(=O)[O-])CC2)CCCC1 ZINC001331845033 873270894 /nfs/dbraw/zinc/27/08/94/873270894.db2.gz BXAITAXFIONSJY-UHFFFAOYSA-N -1 3 362.448 0.188 10 0 FCAEHM CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2CC[C@H](CCC(=O)[O-])O2)CC1 ZINC001332654324 873601854 /nfs/dbraw/zinc/60/18/54/873601854.db2.gz VLXBZPQGYISKPZ-OAGGEKHMSA-N -1 3 355.479 0.789 10 0 FCAEHM COC(=O)CSCCC(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000291988867 214070081 /nfs/dbraw/zinc/07/00/81/214070081.db2.gz KSJZBLBVQVHFDA-UHFFFAOYSA-N -1 3 353.400 0.817 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCc1nnc2n1CCC2 ZINC000297164888 214382619 /nfs/dbraw/zinc/38/26/19/214382619.db2.gz MYSWIFYACIKGGG-JTQLQIEISA-N -1 3 367.406 0.347 10 0 FCAEHM C[C@@H](NC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C(N)=O ZINC000265878313 210241930 /nfs/dbraw/zinc/24/19/30/210241930.db2.gz PWVGJCGSGCUUKB-MRVPVSSYSA-N -1 3 360.411 0.898 10 0 FCAEHM C[C@H](NC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C(N)=O ZINC000265878314 210241674 /nfs/dbraw/zinc/24/16/74/210241674.db2.gz PWVGJCGSGCUUKB-QMMMGPOBSA-N -1 3 360.411 0.898 10 0 FCAEHM O=C(CNC(=O)c1ccccn1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000265830659 210230249 /nfs/dbraw/zinc/23/02/49/210230249.db2.gz MKDLXXBUUMZJDQ-UHFFFAOYSA-N -1 3 368.393 0.502 10 0 FCAEHM C[C@H](Cn1cncn1)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000299119160 214665776 /nfs/dbraw/zinc/66/57/76/214665776.db2.gz SMLXVHJRLVIVGY-MNOVXSKESA-N -1 3 355.395 0.289 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)N1CCO[C@@]2(CCCOC2)C1 ZINC000290938497 214003717 /nfs/dbraw/zinc/00/37/17/214003717.db2.gz PQQJSOZPVDYTPH-INIZCTEOSA-N -1 3 372.418 0.512 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 ZINC000265473769 210143790 /nfs/dbraw/zinc/14/37/90/210143790.db2.gz ZCNNLVRXISFURB-UHFFFAOYSA-N -1 3 350.762 0.723 10 0 FCAEHM CO[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000289495217 213876896 /nfs/dbraw/zinc/87/68/96/213876896.db2.gz JJPIXYCHOOUJBC-MNOVXSKESA-N -1 3 350.462 0.639 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCC(=O)OC(C)(C)C ZINC000265314321 210093908 /nfs/dbraw/zinc/09/39/08/210093908.db2.gz PEOFCEHNFDYMPS-JTQLQIEISA-N -1 3 360.407 0.950 10 0 FCAEHM CC(C)C[C@H](NC(=O)CN1CC(=O)[N-]C1=O)C(=O)OCc1ccccc1 ZINC000264984676 210031636 /nfs/dbraw/zinc/03/16/36/210031636.db2.gz FKPXSVOMXISLBC-AWEZNQCLSA-N -1 3 361.398 0.813 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000333059939 215230359 /nfs/dbraw/zinc/23/03/59/215230359.db2.gz MZALLIAXJRUAFW-BPLDGKMQSA-N -1 3 357.410 0.734 10 0 FCAEHM COc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2cn(C)c(=O)[n-]c2=O)cc1 ZINC000361575238 215397379 /nfs/dbraw/zinc/39/73/79/215397379.db2.gz HJOKBJWEYIELLV-CQSZACIVSA-N -1 3 372.381 0.738 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000285077816 213277999 /nfs/dbraw/zinc/27/79/99/213277999.db2.gz RVKYZCITQGXKRC-XQQFMLRXSA-N -1 3 374.484 0.415 10 0 FCAEHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](CO)C[C@@H](O)C(C)(C)C)c1 ZINC000284628618 213183279 /nfs/dbraw/zinc/18/32/79/213183279.db2.gz KPEQKXNHMQNRRA-GHMZBOCLSA-N -1 3 365.473 0.971 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000283986841 213050038 /nfs/dbraw/zinc/05/00/38/213050038.db2.gz AXAQJJBGCPNQCI-ZDUSSCGKSA-N -1 3 367.203 0.963 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CC[C@@H](C(=O)N(C)C)C1 ZINC000412554115 237228131 /nfs/dbraw/zinc/22/81/31/237228131.db2.gz ALUHQXYSVREQKH-NWDGAFQWSA-N -1 3 371.434 0.429 10 0 FCAEHM CO[C@@H]1CC[C@H]2OCCN(C(=O)C[N-]S(=O)(=O)c3cccs3)[C@H]2C1 ZINC000366829763 216039515 /nfs/dbraw/zinc/03/95/15/216039515.db2.gz FHDNZZBASOEFCJ-FRRDWIJNSA-N -1 3 374.484 0.821 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CCC[C@H](OCCO)C1 ZINC000368085170 216201409 /nfs/dbraw/zinc/20/14/09/216201409.db2.gz JYKBTAHYLFFURH-HOCLYGCPSA-N -1 3 362.426 0.997 10 0 FCAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CN3CCCS3(=O)=O)cc2)n1 ZINC000368869093 216309972 /nfs/dbraw/zinc/30/99/72/216309972.db2.gz YUEMMFXWNAYCHA-UHFFFAOYSA-N -1 3 362.411 0.719 10 0 FCAEHM CN1CCC[C@H](N2CCN(C(=O)c3nc4ccccc4c(=O)[n-]3)CC2)C1 ZINC000369339520 216385580 /nfs/dbraw/zinc/38/55/80/216385580.db2.gz YGWQSNZQTOKINP-AWEZNQCLSA-N -1 3 355.442 0.775 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCN2CCC1CC2 ZINC000188846748 209241130 /nfs/dbraw/zinc/24/11/30/209241130.db2.gz YQMCRLABKKVZMF-UHFFFAOYSA-N -1 3 363.892 0.986 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCN2CCC1CC2 ZINC000188604787 209233394 /nfs/dbraw/zinc/23/33/94/209233394.db2.gz BETUXIDNNUVPPZ-LBPRGKRZSA-N -1 3 355.435 0.799 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)c1 ZINC000277083649 212326434 /nfs/dbraw/zinc/32/64/34/212326434.db2.gz QYSMLDZFHWGQSH-CYBMUJFWSA-N -1 3 352.391 0.639 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCn2cnnc2[C@H]1C ZINC000276913249 212306365 /nfs/dbraw/zinc/30/63/65/212306365.db2.gz OSNAOCPHQLHRRG-WDEREUQCSA-N -1 3 367.406 0.687 10 0 FCAEHM CCOC(=O)c1csc([C@H]2CCCN2C(=O)CN2CC(=O)[N-]C2=O)n1 ZINC000276814774 212292264 /nfs/dbraw/zinc/29/22/64/212292264.db2.gz GHHPUPXTYHRSPF-SNVBAGLBSA-N -1 3 366.399 0.535 10 0 FCAEHM COC(=O)NCCc1ccc(S(=O)(=O)[N-]Cc2ccnn2C)s1 ZINC000276526213 212249457 /nfs/dbraw/zinc/24/94/57/212249457.db2.gz TYPCORZMKNPGPI-UHFFFAOYSA-N -1 3 358.445 0.859 10 0 FCAEHM CCCNC(=O)C[N-]S(=O)(=O)c1ccc(CCNC(=O)OC)s1 ZINC000276526233 212249112 /nfs/dbraw/zinc/24/91/12/212249112.db2.gz TZWZYKWSVLTIHB-UHFFFAOYSA-N -1 3 363.461 0.451 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2Cn2ccnc2C)cn1 ZINC000186032059 209183077 /nfs/dbraw/zinc/18/30/77/209183077.db2.gz LFBCDDSUPFFDDQ-CQSZACIVSA-N -1 3 363.443 0.799 10 0 FCAEHM CO[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000276196904 212183143 /nfs/dbraw/zinc/18/31/43/212183143.db2.gz XZJAAODHLDYSPD-DTWKUNHWSA-N -1 3 350.824 0.906 10 0 FCAEHM Cn1ncc2c1nc(N1CCN(C(=O)c3ccccc3[O-])CC1)nc2N ZINC000276157308 212173715 /nfs/dbraw/zinc/17/37/15/212173715.db2.gz JPXMKDNMJBJSCT-UHFFFAOYSA-N -1 3 353.386 0.614 10 0 FCAEHM CO[C@H]1CN(S(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)CC[C@@H]1C ZINC000275867925 212107536 /nfs/dbraw/zinc/10/75/36/212107536.db2.gz JPSSKALLBOQEBX-CABZTGNLSA-N -1 3 368.415 0.080 10 0 FCAEHM CC(C)[C@@H]([N-]S(=O)(=O)N1CCC[C@@H]1C)c1nc(-c2nc[nH]n2)no1 ZINC000185087778 209172499 /nfs/dbraw/zinc/17/24/99/209172499.db2.gz POTSMVOBUKPUNB-VHSXEESVSA-N -1 3 355.424 0.871 10 0 FCAEHM CCCN1C(=O)CC[C@@H](C(=O)Nc2n[n-]c(OC)n2)[C@@H]1c1cncn1C ZINC000373588458 217035782 /nfs/dbraw/zinc/03/57/82/217035782.db2.gz MFIHBHLECRQXIZ-ZWNOBZJWSA-N -1 3 361.406 0.875 10 0 FCAEHM CCCN1C(=O)CC[C@@H](C(=O)Nc2nnc(OC)[n-]2)[C@@H]1c1cncn1C ZINC000373588458 217035786 /nfs/dbraw/zinc/03/57/86/217035786.db2.gz MFIHBHLECRQXIZ-ZWNOBZJWSA-N -1 3 361.406 0.875 10 0 FCAEHM CCCN1C(=O)CC[C@@H](C(=O)Nc2nc(OC)n[n-]2)[C@@H]1c1cncn1C ZINC000373588458 217035789 /nfs/dbraw/zinc/03/57/89/217035789.db2.gz MFIHBHLECRQXIZ-ZWNOBZJWSA-N -1 3 361.406 0.875 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCC[C@]12CCOC2=O ZINC000275306818 212003666 /nfs/dbraw/zinc/00/36/66/212003666.db2.gz XNEGTDXRYHTBOX-MEDUHNTESA-N -1 3 370.402 0.801 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CCC[C@H]2c2cc[nH]n2)cn1C ZINC000376093163 217356295 /nfs/dbraw/zinc/35/62/95/217356295.db2.gz NXISLLBAGXYFQE-ZDUSSCGKSA-N -1 3 366.447 0.484 10 0 FCAEHM CC(C)C[C@@H](CNC(=O)C(=O)N1CCC[C@H]1CN1CCCC1)C(=O)[O-] ZINC000424478672 247231666 /nfs/dbraw/zinc/23/16/66/247231666.db2.gz GPICXBOSYQYIRR-GJZGRUSLSA-N -1 3 353.463 0.936 10 0 FCAEHM CC(C)C[C@H](CNC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1)C(=O)[O-] ZINC000424479700 247234233 /nfs/dbraw/zinc/23/42/33/247234233.db2.gz IDIBDSPAWQFPTA-HUUCEWRRSA-N -1 3 353.463 0.936 10 0 FCAEHM CCCCOc1ccc(C(=O)N[C@H](CO)CN2CCOCC2)c([O-])c1 ZINC000425293743 247316959 /nfs/dbraw/zinc/31/69/59/247316959.db2.gz LKKWHSJDEYCSEL-AWEZNQCLSA-N -1 3 352.431 0.994 10 0 FCAEHM CS(=O)(=O)N1CC[C@@H](CN2CCN(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000436670480 248045627 /nfs/dbraw/zinc/04/56/27/248045627.db2.gz GFRVEAXCPBSUAL-AWEZNQCLSA-N -1 3 367.471 0.432 10 0 FCAEHM CS(=O)(=O)CCCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436669944 248046457 /nfs/dbraw/zinc/04/64/57/248046457.db2.gz BXTZMYXHIOMJQB-CYBMUJFWSA-N -1 3 354.428 0.548 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CC(OC(F)F)C1 ZINC000437596441 248066753 /nfs/dbraw/zinc/06/67/53/248066753.db2.gz YBKMGRUSPVYIDL-QMMMGPOBSA-N -1 3 352.334 0.943 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccncc2OC)cn1 ZINC000438603944 248090529 /nfs/dbraw/zinc/09/05/29/248090529.db2.gz LZCUCOJHYFKNPU-JTQLQIEISA-N -1 3 350.400 0.884 10 0 FCAEHM Cc1ccccc1-c1nc(C[N-]S(=O)(=O)CCCS(C)(=O)=O)no1 ZINC000438896164 248100819 /nfs/dbraw/zinc/10/08/19/248100819.db2.gz QZORGKVJPLKIBG-UHFFFAOYSA-N -1 3 373.456 0.899 10 0 FCAEHM C/C=C/C[C@H]([N-]S(=O)(=O)N1CCC[C@H]1C(=O)OCC)C(=O)OCC ZINC000440089128 248155848 /nfs/dbraw/zinc/15/58/48/248155848.db2.gz CPBANSDTJDEURC-YUZRODSESA-N -1 3 362.448 0.746 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)C(=O)[N-]c2cnns2)CC(=O)N1Cc1ccccc1 ZINC000440101695 248157666 /nfs/dbraw/zinc/15/76/66/248157666.db2.gz KAQZFUGMQOWHKU-PWSUYJOCSA-N -1 3 359.411 0.782 10 0 FCAEHM COC(=O)CC1([N-]S(=O)(=O)c2ccc(C)o2)CCS(=O)(=O)CC1 ZINC000439098971 248109716 /nfs/dbraw/zinc/10/97/16/248109716.db2.gz RYARSOXZZWWSKS-UHFFFAOYSA-N -1 3 365.429 0.377 10 0 FCAEHM C[C@H](C[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)c1nncn1C ZINC000439204435 248113458 /nfs/dbraw/zinc/11/34/58/248113458.db2.gz ZMAMIIUDXGAMRV-SNVBAGLBSA-N -1 3 358.445 0.301 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]Cc1ccc(C(N)=O)nc1 ZINC000441553836 248255064 /nfs/dbraw/zinc/25/50/64/248255064.db2.gz UNIRUXQXMNNODD-UHFFFAOYSA-N -1 3 369.424 0.063 10 0 FCAEHM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2cn(CC(=O)N(C)C)nn2)s1 ZINC000441572391 248256053 /nfs/dbraw/zinc/25/60/53/248256053.db2.gz WUAPZOFAOKMUIW-UHFFFAOYSA-N -1 3 361.391 0.169 10 0 FCAEHM C[C@@H](CO)[C@@H](C)NC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000442165362 248277166 /nfs/dbraw/zinc/27/71/66/248277166.db2.gz WQVAHZITUBNVNU-VHSXEESVSA-N -1 3 365.402 0.559 10 0 FCAEHM CCc1nc(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)no1 ZINC000442586435 248291675 /nfs/dbraw/zinc/29/16/75/248291675.db2.gz SVBYGRRHHXNJBU-UHFFFAOYSA-N -1 3 360.342 0.619 10 0 FCAEHM O=S(=O)(CC1CC1)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000443098318 248307923 /nfs/dbraw/zinc/30/79/23/248307923.db2.gz OGIPJFALIWYTCV-UHFFFAOYSA-N -1 3 354.400 0.573 10 0 FCAEHM CCc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)no1 ZINC000443155219 248309035 /nfs/dbraw/zinc/30/90/35/248309035.db2.gz IADIUEOHBHGIFX-UHFFFAOYSA-N -1 3 374.444 0.644 10 0 FCAEHM C[C@H]1CN(S(=O)(=O)NCCCNC(=O)c2cccc([O-])c2)C[C@H](C)O1 ZINC000443209256 248312080 /nfs/dbraw/zinc/31/20/80/248312080.db2.gz DYWFRZYLWBQOHM-STQMWFEESA-N -1 3 371.459 0.456 10 0 FCAEHM O=C(NCCn1ncnn1)c1c[n-]c2ccc(Br)cc2c1=O ZINC000444305350 248354455 /nfs/dbraw/zinc/35/44/55/248354455.db2.gz SOBWXWASYDUVAP-UHFFFAOYSA-N -1 3 363.175 0.707 10 0 FCAEHM Cn1cc(C(=O)NCc2ncn(Cc3cccc(F)c3)n2)c(=O)[n-]c1=O ZINC000444559812 248364449 /nfs/dbraw/zinc/36/44/49/248364449.db2.gz TXWASEWZRXMSIO-UHFFFAOYSA-N -1 3 358.333 0.195 10 0 FCAEHM COC(=O)Cc1n[n-]c(NC(=O)c2cc[nH]c(=O)c2Br)n1 ZINC000446155706 248383671 /nfs/dbraw/zinc/38/36/71/248383671.db2.gz HLNOXOINAINUQI-UHFFFAOYSA-N -1 3 356.136 0.636 10 0 FCAEHM COC(=O)Cc1nnc(NC(=O)c2cc[nH]c(=O)c2Br)[n-]1 ZINC000446155706 248383673 /nfs/dbraw/zinc/38/36/73/248383673.db2.gz HLNOXOINAINUQI-UHFFFAOYSA-N -1 3 356.136 0.636 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)c2cc[nH]c(=O)c2Br)n[n-]1 ZINC000446155706 248383676 /nfs/dbraw/zinc/38/36/76/248383676.db2.gz HLNOXOINAINUQI-UHFFFAOYSA-N -1 3 356.136 0.636 10 0 FCAEHM CCOC(=O)COCCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000452694046 249328135 /nfs/dbraw/zinc/32/81/35/249328135.db2.gz DXAOEZSGBXXSLF-CQSZACIVSA-N -1 3 364.398 0.693 10 0 FCAEHM CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000270868305 211286650 /nfs/dbraw/zinc/28/66/50/211286650.db2.gz JFIKAGJXMFEQJQ-QWRGUYRKSA-N -1 3 356.423 0.640 10 0 FCAEHM CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000270704359 211252328 /nfs/dbraw/zinc/25/23/28/211252328.db2.gz AHWJMVHORFTAIB-MNOVXSKESA-N -1 3 354.407 0.490 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000270723060 211255812 /nfs/dbraw/zinc/25/58/12/211255812.db2.gz CBRDMQDZWSAXPU-GFCCVEGCSA-N -1 3 369.324 0.740 10 0 FCAEHM CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)C[C@@H]2NC(=O)[N-]C2=O)C1 ZINC000270683015 211247826 /nfs/dbraw/zinc/24/78/26/211247826.db2.gz CVEYEMFPXRNKRA-QWRGUYRKSA-N -1 3 354.407 0.348 10 0 FCAEHM COCCN(C(=O)C[C@@H]1NC(=O)[N-]C1=O)c1ccc(OC)c(OC)c1 ZINC000270585077 211229302 /nfs/dbraw/zinc/22/93/02/211229302.db2.gz KNDMARRFPOHRJD-NSHDSACASA-N -1 3 351.359 0.281 10 0 FCAEHM Cc1[nH]c(=O)[n-]c(=O)c1C1N2CC3(C(C)C)CN1CC(C(C)C)(C2)C3=O ZINC000019329875 211217343 /nfs/dbraw/zinc/21/73/43/211217343.db2.gz NHEXKWDLTZAOOK-UHFFFAOYSA-N -1 3 360.458 0.869 10 0 FCAEHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@@]1(C(=O)OC)CCOC1 ZINC000270274646 211178472 /nfs/dbraw/zinc/17/84/72/211178472.db2.gz QYJVAMSVGNUUME-AWEZNQCLSA-N -1 3 361.347 0.223 10 0 FCAEHM Cn1cc([C@H](CO)[N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)cn1 ZINC000270243155 211173471 /nfs/dbraw/zinc/17/34/71/211173471.db2.gz SLIYWVOSEHFWOS-NSHDSACASA-N -1 3 373.818 0.857 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@@]2(C(=O)OC)CCSC2)c(C)o1 ZINC000270233152 211171821 /nfs/dbraw/zinc/17/18/21/211171821.db2.gz JPYXRSUKRSKZOU-ZDUSSCGKSA-N -1 3 363.413 0.702 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1C[C@H](CO)O[C@@H](C)C1 ZINC000470928769 250077194 /nfs/dbraw/zinc/07/71/94/250077194.db2.gz HARIBJMPPRUYFB-WDEREUQCSA-N -1 3 370.427 0.780 10 0 FCAEHM CN(CCCCO)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1CC1 ZINC000472197204 250138101 /nfs/dbraw/zinc/13/81/01/250138101.db2.gz RSHOYUIXMBJUEI-UHFFFAOYSA-N -1 3 362.473 0.520 10 0 FCAEHM COc1nc(NC(=O)[C@@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)n[n-]1 ZINC000472438456 250151730 /nfs/dbraw/zinc/15/17/30/250151730.db2.gz PTCJDXXOEQHCGC-LBPRGKRZSA-N -1 3 361.280 0.384 10 0 FCAEHM COc1nnc(NC(=O)[C@@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)[n-]1 ZINC000472438456 250151734 /nfs/dbraw/zinc/15/17/34/250151734.db2.gz PTCJDXXOEQHCGC-LBPRGKRZSA-N -1 3 361.280 0.384 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)n1 ZINC000472438456 250151738 /nfs/dbraw/zinc/15/17/38/250151738.db2.gz PTCJDXXOEQHCGC-LBPRGKRZSA-N -1 3 361.280 0.384 10 0 FCAEHM CCNC(=O)N1CC[C@H]([N-]S(=O)(=O)c2cccc(F)c2C(=O)OC)C1 ZINC000269858725 211100975 /nfs/dbraw/zinc/10/09/75/211100975.db2.gz RVBJZGSYWYYCPS-JTQLQIEISA-N -1 3 373.406 0.694 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC[C@@]3(CCCOC3)C2)cn1C ZINC000473529937 250235002 /nfs/dbraw/zinc/23/50/02/250235002.db2.gz INQJHKARXIJDOX-MRXNPFEDSA-N -1 3 370.475 0.426 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]Cc2cccc(OCC(=O)N(C)C)c2)c1 ZINC000474065639 250267648 /nfs/dbraw/zinc/26/76/48/250267648.db2.gz KFNZZMFDAWJTFS-UHFFFAOYSA-N -1 3 366.443 0.849 10 0 FCAEHM CCOCCOC[C@@H](O)C[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000480667870 250277066 /nfs/dbraw/zinc/27/70/66/250277066.db2.gz HSXOMQSPNSVAEQ-JTQLQIEISA-N -1 3 372.365 0.793 10 0 FCAEHM COC(=O)COc1ccc(S(=O)(=O)NCc2ncccc2[O-])cc1 ZINC000480723282 250279797 /nfs/dbraw/zinc/27/97/97/250279797.db2.gz DHYPUPJCZGAJSJ-UHFFFAOYSA-N -1 3 352.368 0.818 10 0 FCAEHM NC(=O)COc1ccc(Cl)cc1S(=O)(=O)NCc1ncccc1[O-] ZINC000480729316 250280907 /nfs/dbraw/zinc/28/09/07/250280907.db2.gz SKIBFVSMHVHRKX-UHFFFAOYSA-N -1 3 371.802 0.783 10 0 FCAEHM CCNC(=O)C1CN(C(=O)Nc2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)C1 ZINC000480928901 250295810 /nfs/dbraw/zinc/29/58/10/250295810.db2.gz PMKDXFQMALFCGA-ZDUSSCGKSA-N -1 3 359.386 0.037 10 0 FCAEHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]CC[C@@H](C)[S@@](C)=O)s1 ZINC000481080738 250313075 /nfs/dbraw/zinc/31/30/75/250313075.db2.gz YVSQQXUWNNLLQD-LADRHHBVSA-N -1 3 366.530 0.862 10 0 FCAEHM O=C(NCC[C@H](O)C(F)(F)F)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000481096686 250313866 /nfs/dbraw/zinc/31/38/66/250313866.db2.gz ZCTXAIDRQOQKEX-QWRGUYRKSA-N -1 3 374.319 0.872 10 0 FCAEHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@]1(C(=O)OC)CCOC1 ZINC000269769577 211071406 /nfs/dbraw/zinc/07/14/06/211071406.db2.gz FKMZECPJBJEVJV-AWEZNQCLSA-N -1 3 361.347 0.223 10 0 FCAEHM CCOC(=O)C1(O)CCN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)CC1 ZINC000481719127 250349265 /nfs/dbraw/zinc/34/92/65/250349265.db2.gz RQHRQMNFWFGOMF-UHFFFAOYSA-N -1 3 361.354 0.492 10 0 FCAEHM C[C@@]1(c2ccc(C(=O)NCC(=O)NC3CCCCC3)cc2)NC(=O)[N-]C1=O ZINC000481319829 250331868 /nfs/dbraw/zinc/33/18/68/250331868.db2.gz HFPVLJDXROZSRF-IBGZPJMESA-N -1 3 372.425 0.920 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CCN(C3CC3)CC2)s1 ZINC000105098173 208193663 /nfs/dbraw/zinc/19/36/63/208193663.db2.gz ZVYHHRXEFHPBPD-UHFFFAOYSA-N -1 3 358.489 0.646 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCn2cnnc2C1 ZINC000111664908 208285398 /nfs/dbraw/zinc/28/53/98/208285398.db2.gz PUENHNPSFXLXQO-JTQLQIEISA-N -1 3 353.379 0.126 10 0 FCAEHM CN(C)CCN1CCN(C(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)CC1 ZINC000114676435 208316541 /nfs/dbraw/zinc/31/65/41/208316541.db2.gz CAFFVMRQJLDYPS-UHFFFAOYSA-N -1 3 372.466 0.517 10 0 FCAEHM COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-] ZINC000409472367 533053702 /nfs/dbraw/zinc/05/37/02/533053702.db2.gz SZCXKXFXEBFJHQ-WDEREUQCSA-N -1 3 354.384 0.680 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCNC(=O)[C@@H]1CC ZINC000266678106 210379377 /nfs/dbraw/zinc/37/93/77/210379377.db2.gz SOBZHDCIQHBJMM-JTQLQIEISA-N -1 3 367.427 0.909 10 0 FCAEHM COc1cccc(N2CC[C@@H](CNC(=O)c3[nH]c(=O)[n-]c(=O)c3N)C2)c1 ZINC000266197940 210302040 /nfs/dbraw/zinc/30/20/40/210302040.db2.gz YHUMRVRXUPAZCJ-JTQLQIEISA-N -1 3 359.386 0.735 10 0 FCAEHM CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000409795006 533404427 /nfs/dbraw/zinc/40/44/27/533404427.db2.gz QFBDLCQJASJYMQ-CABZTGNLSA-N -1 3 367.880 0.731 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000409786197 230044803 /nfs/dbraw/zinc/04/48/03/230044803.db2.gz AGAFSZGTHHKJSO-WDEREUQCSA-N -1 3 351.450 0.288 10 0 FCAEHM COC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(=O)[nH]n2)s1 ZINC000278638010 488886479 /nfs/dbraw/zinc/88/64/79/488886479.db2.gz UWQSPSLVGYAHKX-UHFFFAOYSA-N -1 3 358.401 0.943 10 0 FCAEHM O=C1[N-]C(=O)[C@]2(CCCN(S(=O)(=O)c3ccc4c(c3)CCCC4)C2)N1 ZINC000278744857 488894007 /nfs/dbraw/zinc/89/40/07/488894007.db2.gz MYPJBEQLGLHBLJ-QGZVFWFLSA-N -1 3 363.439 0.928 10 0 FCAEHM COCc1cccc(S(=O)(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000278764112 488894197 /nfs/dbraw/zinc/89/41/97/488894197.db2.gz OICLEFUIHASZMD-OAHLLOKOSA-N -1 3 353.400 0.196 10 0 FCAEHM Cc1cccc(OCCNC(=O)[C@H](C)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000279002291 488910174 /nfs/dbraw/zinc/91/01/74/488910174.db2.gz CWQXRQGNLLWHPA-LIRRHRJNSA-N -1 3 374.441 0.553 10 0 FCAEHM CCOC(=O)c1ccc(NC(=O)CN2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000279034225 488911958 /nfs/dbraw/zinc/91/19/58/488911958.db2.gz IICUQNMJOGZDDZ-GOSISDBHSA-N -1 3 374.397 0.476 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000278981120 488908432 /nfs/dbraw/zinc/90/84/32/488908432.db2.gz PWIQTEMXKMWSCT-CQSZACIVSA-N -1 3 357.457 0.155 10 0 FCAEHM CN(C)CCn1ncc(C(=O)NCCc2nc(=O)o[n-]2)c1-c1ccccc1 ZINC000287936767 488923592 /nfs/dbraw/zinc/92/35/92/488923592.db2.gz FITJGRWHHLXCMS-UHFFFAOYSA-N -1 3 370.413 0.761 10 0 FCAEHM O=S(=O)(CCCS(=O)(=O)N1CCCO1)[N-]c1ncccc1Cl ZINC000349467205 489292643 /nfs/dbraw/zinc/29/26/43/489292643.db2.gz NEMRSXJAYNOSQB-UHFFFAOYSA-N -1 3 369.852 0.834 10 0 FCAEHM Cc1cncc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)CO)c1 ZINC000349474211 489293646 /nfs/dbraw/zinc/29/36/46/489293646.db2.gz JHTZKTCYXNJBJN-LBPRGKRZSA-N -1 3 365.477 0.164 10 0 FCAEHM O=C(CCOCC(F)(F)C(F)(F)F)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000364189820 488932789 /nfs/dbraw/zinc/93/27/89/488932789.db2.gz ONTVLYDGABKXSZ-LLVKDONJSA-N -1 3 373.278 0.791 10 0 FCAEHM Cc1c(CC(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)nnn1-c1ccccc1 ZINC000279417471 488940429 /nfs/dbraw/zinc/94/04/29/488940429.db2.gz HZWSWDDEMQOGPM-SFHVURJKSA-N -1 3 368.397 0.319 10 0 FCAEHM Cc1n[nH]c(C)c1[N-]S(=O)(=O)CCCS(=O)(=O)N(C)CCF ZINC000349499357 489301016 /nfs/dbraw/zinc/30/10/16/489301016.db2.gz KDNKELBFWBXVFT-UHFFFAOYSA-N -1 3 356.445 0.389 10 0 FCAEHM O=C(c1ccccc1)N1CSC[C@@H]1C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000328960252 488955377 /nfs/dbraw/zinc/95/53/77/488955377.db2.gz PLFVVUIXGADIIL-CHWSQXEVSA-N -1 3 374.422 0.805 10 0 FCAEHM COCCCOc1cccc(C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000279618168 488957286 /nfs/dbraw/zinc/95/72/86/488957286.db2.gz XCPCTHRTTYGWCI-GOSISDBHSA-N -1 3 361.398 0.916 10 0 FCAEHM Cn1cc([C@H](O)C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)cn1 ZINC000288226300 488958600 /nfs/dbraw/zinc/95/86/00/488958600.db2.gz RQFHRNQXHJGHBV-SECBINFHSA-N -1 3 350.322 0.846 10 0 FCAEHM C[C@@H](C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O)n1nnc(-c2ccccc2)n1 ZINC000279652325 488959405 /nfs/dbraw/zinc/95/94/05/488959405.db2.gz ZZMLOWZTERGUOY-APPDUMDISA-N -1 3 369.385 0.102 10 0 FCAEHM COc1ccc(C(=O)C2CCN(C(=O)C[C@@H]3NC(=O)[N-]C3=O)CC2)cc1 ZINC000026131974 487678334 /nfs/dbraw/zinc/67/83/34/487678334.db2.gz KSCONIGKMBLGEV-AWEZNQCLSA-N -1 3 359.382 0.715 10 0 FCAEHM CCCn1nccc1NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000031769794 487764854 /nfs/dbraw/zinc/76/48/54/487764854.db2.gz OENYPYSRHHNSFH-UHFFFAOYSA-N -1 3 356.180 0.544 10 0 FCAEHM O=C(N[C@H]1CCS(=O)(=O)C1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000044959326 487926606 /nfs/dbraw/zinc/92/66/06/487926606.db2.gz GCAOJDPNTFYACQ-WCQYABFASA-N -1 3 352.412 0.300 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(NC(=O)CN2CCOCC2=O)cc1OC ZINC000279846554 488972015 /nfs/dbraw/zinc/97/20/15/488972015.db2.gz DVUALSBZIIRSRW-UHFFFAOYSA-N -1 3 371.415 0.254 10 0 FCAEHM O=C([C@@H]1CC(=O)N(C2CCCCC2)C1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000569792247 491191712 /nfs/dbraw/zinc/19/17/12/491191712.db2.gz UTWJRNLLQNIFTI-KZULUSFZSA-N -1 3 362.430 0.368 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC1CCC(C(N)=O)CC1 ZINC000066634761 488334171 /nfs/dbraw/zinc/33/41/71/488334171.db2.gz SCUMWBQVXAZRIH-UNXYVOJBSA-N -1 3 371.434 0.653 10 0 FCAEHM C[C@@H](Cn1cncn1)NC(=O)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000068086805 488360331 /nfs/dbraw/zinc/36/03/31/488360331.db2.gz JFCVFLANVNCYNL-NSHDSACASA-N -1 3 354.370 0.054 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)Nc1cccc(-c2noc(C)n2)c1 ZINC000268130931 488388106 /nfs/dbraw/zinc/38/81/06/488388106.db2.gz FETGFQVHRTWFJK-UHFFFAOYSA-N -1 3 368.415 0.939 10 0 FCAEHM Cc1c(NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)cccc1N(C)C ZINC000182995556 488390704 /nfs/dbraw/zinc/39/07/04/488390704.db2.gz UZQCPVQSCAIVSL-UHFFFAOYSA-N -1 3 351.432 0.712 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)NCCCc2c(C)nn(C)c2C)cn1 ZINC000185015829 488399042 /nfs/dbraw/zinc/39/90/42/488399042.db2.gz AROMWGWKFPOSSS-UHFFFAOYSA-N -1 3 365.459 0.703 10 0 FCAEHM Cn1c2[nH]c(CCC(=O)[N-]OCc3ccc(F)cc3)nc2c(=O)[nH]c1=O ZINC000186453169 488406657 /nfs/dbraw/zinc/40/66/57/488406657.db2.gz NJXLXSIAMREUBX-UHFFFAOYSA-N -1 3 361.333 0.270 10 0 FCAEHM C[C@@H](CNC(=O)CCn1[n-]c(=O)c2ccccc2c1=O)N1CCCCC1=O ZINC000194246888 488431906 /nfs/dbraw/zinc/43/19/06/488431906.db2.gz RVAJAALGIJRUSN-ZDUSSCGKSA-N -1 3 372.425 0.597 10 0 FCAEHM CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)CN2CC(=O)[N-]C2=O)c1 ZINC000268680478 488441507 /nfs/dbraw/zinc/44/15/07/488441507.db2.gz KVGXZEOBPYNYIY-JTQLQIEISA-N -1 3 368.415 0.254 10 0 FCAEHM CC(=O)N1CCN(C(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)[C@@H](C)C1 ZINC000268711476 488444075 /nfs/dbraw/zinc/44/40/75/488444075.db2.gz IIKXGEXQHICDKM-WDEREUQCSA-N -1 3 359.473 0.494 10 0 FCAEHM CC1(C)C(=O)Nc2ccccc2N1C(=O)Cn1cc(Cl)c(=O)[n-]c1=O ZINC000085252993 488451013 /nfs/dbraw/zinc/45/10/13/488451013.db2.gz GQTVWLYURLAHMM-UHFFFAOYSA-N -1 3 362.773 0.954 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)NCCCc2cccc(F)c2)c1 ZINC000088588632 488456068 /nfs/dbraw/zinc/45/60/68/488456068.db2.gz DUCAIAOCPPFDKL-UHFFFAOYSA-N -1 3 354.407 0.587 10 0 FCAEHM CC(=O)N1CCN(C(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)[C@H](C)C1 ZINC000269151160 488474409 /nfs/dbraw/zinc/47/44/09/488474409.db2.gz OOFIWNBKGKJMBS-ZMZPIMSZSA-N -1 3 358.398 0.434 10 0 FCAEHM CN1CC[C@H](NC(=O)C[C@@H]2NC(=O)[N-]C2=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246962467 488478790 /nfs/dbraw/zinc/47/87/90/488478790.db2.gz IDOGSFFWDFNQQQ-SGMGOOAPSA-N -1 3 368.796 0.939 10 0 FCAEHM C[C@H](Cc1noc(CN2CC(=O)[N-]C2=O)n1)N(C)C(=O)OC(C)(C)C ZINC000269322811 488491920 /nfs/dbraw/zinc/49/19/20/488491920.db2.gz FSVHCQOVCGTWCA-SECBINFHSA-N -1 3 353.379 0.919 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)C[C@@H](C)O1 ZINC000269330084 488492760 /nfs/dbraw/zinc/49/27/60/488492760.db2.gz HWYQHGYIMOZBEF-NXEZZACHSA-N -1 3 366.436 0.995 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)n[n-]1 ZINC000269380452 488497624 /nfs/dbraw/zinc/49/76/24/488497624.db2.gz NBFPUHLSOIBXOC-UHFFFAOYSA-N -1 3 357.374 0.613 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)[n-]n1 ZINC000269380452 488497625 /nfs/dbraw/zinc/49/76/25/488497625.db2.gz NBFPUHLSOIBXOC-UHFFFAOYSA-N -1 3 357.374 0.613 10 0 FCAEHM CN1CCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000271793852 488546897 /nfs/dbraw/zinc/54/68/97/488546897.db2.gz VHCNRJLZSBGADX-NSHDSACASA-N -1 3 361.851 0.577 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000272010018 488558558 /nfs/dbraw/zinc/55/85/58/488558558.db2.gz ZPJRHXHGWPINCS-QWRGUYRKSA-N -1 3 368.752 0.299 10 0 FCAEHM COC(=O)CCCS(=O)(=O)[N-][C@@H](C[C@H]1CCCOC1)C(=O)OC ZINC000599460372 492175892 /nfs/dbraw/zinc/17/58/92/492175892.db2.gz MBLPNGBGVHYKKG-NEPJUHHUSA-N -1 3 351.421 0.217 10 0 FCAEHM COc1ncc(C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)cc1Br ZINC000563000930 491207045 /nfs/dbraw/zinc/20/70/45/491207045.db2.gz QYZAIFXSYYAZNT-VIFPVBQESA-N -1 3 369.175 0.229 10 0 FCAEHM CN(CC(=O)[O-])C[C@@H]1CN(C(=O)COc2ccc(F)cc2F)CCO1 ZINC000262869262 488597506 /nfs/dbraw/zinc/59/75/06/488597506.db2.gz CQYBMXUAXQGVNK-GFCCVEGCSA-N -1 3 358.341 0.587 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-][C@@H]1CCCN(c2cccnc2)C1=O)C1CC1 ZINC000563061348 491211711 /nfs/dbraw/zinc/21/17/11/491211711.db2.gz GIVIFLZFWDNELG-CABCVRRESA-N -1 3 353.444 0.921 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)NC[C@H](CO)c1ccccc1 ZINC000127133716 488614820 /nfs/dbraw/zinc/61/48/20/488614820.db2.gz AMHYPAXGLOWJKT-CYBMUJFWSA-N -1 3 354.453 0.919 10 0 FCAEHM CN1CC[C@H](NC(=O)CN2CC(=O)[N-]C2=O)[C@@H]1c1ccc(F)c(F)c1 ZINC000127496733 488617259 /nfs/dbraw/zinc/61/72/59/488617259.db2.gz CTHWHYKLKYGVGE-WFASDCNBSA-N -1 3 352.341 0.378 10 0 FCAEHM C[C@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])N1CCN(C)CC1 ZINC000129658220 488632840 /nfs/dbraw/zinc/63/28/40/488632840.db2.gz BSICEFFFVUPPIC-WBVHZDCISA-N -1 3 374.485 0.749 10 0 FCAEHM Cc1ccc(NC(=O)CN2CC(=O)[N-]C2=O)cc1-c1nnnn1C1CC1 ZINC000273202012 488637320 /nfs/dbraw/zinc/63/73/20/488637320.db2.gz OCPVGMZFRIFTHO-UHFFFAOYSA-N -1 3 355.358 0.474 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2nnc3n2CCCC3)c(C)o1 ZINC000135283445 488672032 /nfs/dbraw/zinc/67/20/32/488672032.db2.gz FLPDEVPAOIPPDN-VIFPVBQESA-N -1 3 367.431 0.915 10 0 FCAEHM COc1cc(N2CCN(C)CC2=O)ccc1Cc1c(C)nc(N)[n-]c1=O ZINC000140777619 488687307 /nfs/dbraw/zinc/68/73/07/488687307.db2.gz RYJLZVHNKGHSFP-UHFFFAOYSA-N -1 3 357.414 0.951 10 0 FCAEHM CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)CN2CC(=O)[N-]C2=O)c1 ZINC000264635415 488693119 /nfs/dbraw/zinc/69/31/19/488693119.db2.gz PASJMUXQSPKUBX-UHFFFAOYSA-N -1 3 368.415 0.254 10 0 FCAEHM CC(C)N1C(=S)N=NC1[C@H]1CCCN(C(=O)CN2CC(=O)[N-]C2=O)C1 ZINC000264723425 488702924 /nfs/dbraw/zinc/70/29/24/488702924.db2.gz DAWLDCBLMGDMKC-JTQLQIEISA-N -1 3 366.447 0.406 10 0 FCAEHM C[C@@H](NC(=O)CN1CC(=O)[N-]C1=O)c1ccc(NC(=O)NC2CC2)cc1 ZINC000264836008 488717455 /nfs/dbraw/zinc/71/74/55/488717455.db2.gz KBCKYXVQBRJREL-SNVBAGLBSA-N -1 3 359.386 0.700 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCCc1ccc(OCC(F)(F)F)nc1 ZINC000274648060 488724940 /nfs/dbraw/zinc/72/49/40/488724940.db2.gz CYXNMKJFSYPFII-VIFPVBQESA-N -1 3 360.292 0.280 10 0 FCAEHM CCOC(=O)[C@@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1ccc(OC)c(F)c1 ZINC000274713000 488729011 /nfs/dbraw/zinc/72/90/11/488729011.db2.gz AVRQFHKRLRLMTI-GWCFXTLKSA-N -1 3 367.333 0.153 10 0 FCAEHM Cn1cnc2c1c(=O)n(CCC[S@](=O)c1ccc([O-])cc1)c(=O)n2C ZINC000153683595 488734425 /nfs/dbraw/zinc/73/44/25/488734425.db2.gz JQNSTMFASITWHG-RUZDIDTESA-N -1 3 362.411 0.337 10 0 FCAEHM COC(=O)[C@H]1CCCN(C(=O)Nc2ccc(C[C@H]3NC(=O)[N-]C3=O)cc2)C1 ZINC000274920768 488743889 /nfs/dbraw/zinc/74/38/89/488743889.db2.gz YYWQCESLUHIQKF-GXTWGEPZSA-N -1 3 374.397 0.854 10 0 FCAEHM C[C@H](CNC(=O)C1CC2(C1)NC(=O)[N-]C2=O)N1CCc2ccccc2C1 ZINC000155067666 488750722 /nfs/dbraw/zinc/75/07/22/488750722.db2.gz MZVXBHGGFDUOBM-CMQUCMFRSA-N -1 3 356.426 0.538 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)N1CCCO1 ZINC000155688052 488757925 /nfs/dbraw/zinc/75/79/25/488757925.db2.gz VMDYMFYPBRALNW-UHFFFAOYSA-N -1 3 355.235 0.953 10 0 FCAEHM C[C@@H](CC[S@@](C)=O)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000267091632 488760167 /nfs/dbraw/zinc/76/01/67/488760167.db2.gz MIAGUYJFCYBFKY-WEVHURDZSA-N -1 3 364.464 0.766 10 0 FCAEHM COC(=O)[C@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F)C1CC1 ZINC000267663238 488810347 /nfs/dbraw/zinc/81/03/47/488810347.db2.gz DFLRJGUNQHDMRE-TVQRCGJNSA-N -1 3 358.391 0.560 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(CC(F)F)CC2)ccc1F ZINC000267780677 488819476 /nfs/dbraw/zinc/81/94/76/488819476.db2.gz VQXDSUISTJNIJI-UHFFFAOYSA-N -1 3 365.377 0.757 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCN(C)C(=O)C1(C)C ZINC000268098060 488839523 /nfs/dbraw/zinc/83/95/23/488839523.db2.gz WHDWTRMMPBWLGB-NSHDSACASA-N -1 3 371.434 0.572 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000173003499 488839836 /nfs/dbraw/zinc/83/98/36/488839836.db2.gz OTEGSQPEZMELSV-KWQFWETISA-N -1 3 372.390 0.941 10 0 FCAEHM Cc1cc(N2CCC[C@H]([N-]S(=O)(=O)N3CCC[C@H](C)C3)C2=O)n(C)n1 ZINC000174040761 488847372 /nfs/dbraw/zinc/84/73/72/488847372.db2.gz ATWPQLDHDOWPDU-JSGCOSHPSA-N -1 3 369.491 0.790 10 0 FCAEHM CCc1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1cn(CC(C)C)cn1)CC2 ZINC000175017352 488852621 /nfs/dbraw/zinc/85/26/21/488852621.db2.gz RNFYETAXVQTEOZ-LBPRGKRZSA-N -1 3 352.464 0.986 10 0 FCAEHM O=C(NC1CC1)c1nn[n-]c1NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000563170903 491225136 /nfs/dbraw/zinc/22/51/36/491225136.db2.gz CDZDLWBLAMOZLZ-JTQLQIEISA-N -1 3 354.370 0.689 10 0 FCAEHM O=C(NC1CC1)c1[n-]nnc1NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000563170903 491225139 /nfs/dbraw/zinc/22/51/39/491225139.db2.gz CDZDLWBLAMOZLZ-JTQLQIEISA-N -1 3 354.370 0.689 10 0 FCAEHM O=C(NC1CC1)c1n[n-]nc1NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000563170903 491225140 /nfs/dbraw/zinc/22/51/40/491225140.db2.gz CDZDLWBLAMOZLZ-JTQLQIEISA-N -1 3 354.370 0.689 10 0 FCAEHM O=C(CCC1CCCC1)NCC(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000364598374 488976177 /nfs/dbraw/zinc/97/61/77/488976177.db2.gz IDSREJNXDPFWQJ-QGZVFWFLSA-N -1 3 350.419 0.274 10 0 FCAEHM CC(C)(C)OC(=O)N1CC=C(CCNC(=O)C[C@@H]2NC(=O)[N-]C2=O)CC1 ZINC000279965711 488977161 /nfs/dbraw/zinc/97/71/61/488977161.db2.gz JZGQYFBPWCXZOW-LBPRGKRZSA-N -1 3 366.418 0.658 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-][C@H]2CCN(c3ccccc3)C2=O)C[C@@H](C)O1 ZINC000329294080 488990168 /nfs/dbraw/zinc/99/01/68/488990168.db2.gz RVZOUBDYADZFQW-NFAWXSAZSA-N -1 3 353.444 0.736 10 0 FCAEHM CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000329312495 488992735 /nfs/dbraw/zinc/99/27/35/488992735.db2.gz AOBUEUKJKIQZKA-DCAQKATOSA-N -1 3 354.432 0.537 10 0 FCAEHM COC(C)(C)CS(=O)(=O)[N-]CC(=O)N1CCN(c2ccccc2)CC1 ZINC000289300261 489056702 /nfs/dbraw/zinc/05/67/02/489056702.db2.gz IJAJRELQUZMTBV-UHFFFAOYSA-N -1 3 369.487 0.680 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]CC(=O)N1CCCCC1 ZINC000289334179 489059709 /nfs/dbraw/zinc/05/97/09/489059709.db2.gz MODBRCVYFRMSTE-UHFFFAOYSA-N -1 3 358.416 0.974 10 0 FCAEHM O=C(CN1CCC[C@H](c2nc(=O)[n-][nH]2)C1)NC(=O)NCc1cccs1 ZINC000289561104 489077398 /nfs/dbraw/zinc/07/73/98/489077398.db2.gz XWJUCYFGPJENPN-JTQLQIEISA-N -1 3 364.431 0.365 10 0 FCAEHM COC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@]2(C)CCOC2=O)s1 ZINC000289708339 489088010 /nfs/dbraw/zinc/08/80/10/489088010.db2.gz WNOHDKSAAONWGJ-ZDUSSCGKSA-N -1 3 362.429 0.631 10 0 FCAEHM COc1nnc(NC(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)[n-]1 ZINC000281760918 489104006 /nfs/dbraw/zinc/10/40/06/489104006.db2.gz YWRTXBWOXUUCNE-UHFFFAOYSA-N -1 3 354.411 0.695 10 0 FCAEHM COc1nc(NC(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)n[n-]1 ZINC000281760918 489104007 /nfs/dbraw/zinc/10/40/07/489104007.db2.gz YWRTXBWOXUUCNE-UHFFFAOYSA-N -1 3 354.411 0.695 10 0 FCAEHM COc1n[n-]c(NC(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC000281760918 489104011 /nfs/dbraw/zinc/10/40/11/489104011.db2.gz YWRTXBWOXUUCNE-UHFFFAOYSA-N -1 3 354.411 0.695 10 0 FCAEHM CN(CCCC(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O)C(=O)OC(C)(C)C ZINC000366091443 489143438 /nfs/dbraw/zinc/14/34/38/489143438.db2.gz ZQRTVMUKRXKSAT-KRWDZBQOSA-N -1 3 368.434 0.834 10 0 FCAEHM C[C@H](CC(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O)NC(=O)C1CCCCC1 ZINC000366134976 489149846 /nfs/dbraw/zinc/14/98/46/489149846.db2.gz GJEQUUILNOMKFQ-XIKOKIGWSA-N -1 3 364.446 0.662 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@H](C)[C@H](OC)C1 ZINC000282413915 489161590 /nfs/dbraw/zinc/16/15/90/489161590.db2.gz FCZBWGRBGFINLN-VXGBXAGGSA-N -1 3 362.473 0.640 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]CC1(O)CCN(C)CC1 ZINC000290811611 489166999 /nfs/dbraw/zinc/16/69/99/489166999.db2.gz SGPOQOKKILKYKU-UHFFFAOYSA-N -1 3 360.432 0.418 10 0 FCAEHM CC(C)(C)N1C[C@H]([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)CC1=O ZINC000331032062 489167612 /nfs/dbraw/zinc/16/76/12/489167612.db2.gz UPGYSGRSXBZIEI-LLVKDONJSA-N -1 3 374.484 0.768 10 0 FCAEHM C[C@H](Cn1cncn1)NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290866240 489170173 /nfs/dbraw/zinc/17/01/73/489170173.db2.gz RBGSNKKKSGSAJF-GHMZBOCLSA-N -1 3 362.356 0.767 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C[C@H](O)C1CCOCC1 ZINC000290873705 489170787 /nfs/dbraw/zinc/17/07/87/489170787.db2.gz YGVCSBFNUDJQJM-LBPRGKRZSA-N -1 3 361.416 0.749 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C[C@@H](O)C1CCOCC1 ZINC000290873699 489170858 /nfs/dbraw/zinc/17/08/58/489170858.db2.gz YGVCSBFNUDJQJM-GFCCVEGCSA-N -1 3 361.416 0.749 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)N(C)[C@@H](C)CO)cc1OC ZINC000282857923 489195042 /nfs/dbraw/zinc/19/50/42/489195042.db2.gz UHQHWRSQFGIQDJ-JTQLQIEISA-N -1 3 373.431 0.235 10 0 FCAEHM O=C(CCn1cnc2sccc2c1=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282885654 489196870 /nfs/dbraw/zinc/19/68/70/489196870.db2.gz KAAKDSLBFZJWIH-JTQLQIEISA-N -1 3 374.426 0.666 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c([O-])cc1=O)N1CCN(C2CC2)CC1 ZINC000282887069 489196960 /nfs/dbraw/zinc/19/69/60/489196960.db2.gz BTPPMUVPIGCNPE-UHFFFAOYSA-N -1 3 358.373 0.794 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])N1CCN(C2CC2)CC1 ZINC000282887069 489196963 /nfs/dbraw/zinc/19/69/63/489196963.db2.gz BTPPMUVPIGCNPE-UHFFFAOYSA-N -1 3 358.373 0.794 10 0 FCAEHM CCOc1ccncc1S(=O)(=O)[N-][C@H]1CCCN(S(C)(=O)=O)C1 ZINC000331335084 489199566 /nfs/dbraw/zinc/19/95/66/489199566.db2.gz QAABAUUAYPYBOV-NSHDSACASA-N -1 3 363.461 0.183 10 0 FCAEHM O=C([C@H]1COC(=O)N1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000283107486 489216144 /nfs/dbraw/zinc/21/61/44/489216144.db2.gz XQMVKMYLDVMUME-SNVBAGLBSA-N -1 3 359.429 0.126 10 0 FCAEHM CC(=O)N1CCc2cc(C(=O)Nc3[n-]nnc3C(=O)NC3CC3)ccc21 ZINC000297653409 489219359 /nfs/dbraw/zinc/21/93/59/489219359.db2.gz FGQYHPSZVVAQGE-UHFFFAOYSA-N -1 3 354.370 0.858 10 0 FCAEHM CC(=O)N1CCc2cc(C(=O)Nc3nn[n-]c3C(=O)NC3CC3)ccc21 ZINC000297653409 489219361 /nfs/dbraw/zinc/21/93/61/489219361.db2.gz FGQYHPSZVVAQGE-UHFFFAOYSA-N -1 3 354.370 0.858 10 0 FCAEHM CC(=O)N1CCc2cc(C(=O)Nc3n[n-]nc3C(=O)NC3CC3)ccc21 ZINC000297653409 489219364 /nfs/dbraw/zinc/21/93/64/489219364.db2.gz FGQYHPSZVVAQGE-UHFFFAOYSA-N -1 3 354.370 0.858 10 0 FCAEHM CN1C(=O)c2ccc(C(=O)Nc3[n-]nnc3C(=O)NC3CC3)cc2C1=O ZINC000297653444 489219501 /nfs/dbraw/zinc/21/95/01/489219501.db2.gz FGZCDUDSWRKHLG-UHFFFAOYSA-N -1 3 354.326 0.175 10 0 FCAEHM CN1C(=O)c2ccc(C(=O)Nc3nn[n-]c3C(=O)NC3CC3)cc2C1=O ZINC000297653444 489219506 /nfs/dbraw/zinc/21/95/06/489219506.db2.gz FGZCDUDSWRKHLG-UHFFFAOYSA-N -1 3 354.326 0.175 10 0 FCAEHM CN1C(=O)c2ccc(C(=O)Nc3n[n-]nc3C(=O)NC3CC3)cc2C1=O ZINC000297653444 489219508 /nfs/dbraw/zinc/21/95/08/489219508.db2.gz FGZCDUDSWRKHLG-UHFFFAOYSA-N -1 3 354.326 0.175 10 0 FCAEHM O=C(CCNC(=O)c1ccc(F)cc1)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000297694057 489225323 /nfs/dbraw/zinc/22/53/23/489225323.db2.gz JDZYHAURNYOGJL-UHFFFAOYSA-N -1 3 360.349 0.595 10 0 FCAEHM O=C(CCNC(=O)c1ccc(F)cc1)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000297694057 489225325 /nfs/dbraw/zinc/22/53/25/489225325.db2.gz JDZYHAURNYOGJL-UHFFFAOYSA-N -1 3 360.349 0.595 10 0 FCAEHM O=C(CCNC(=O)c1ccc(F)cc1)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000297694057 489225328 /nfs/dbraw/zinc/22/53/28/489225328.db2.gz JDZYHAURNYOGJL-UHFFFAOYSA-N -1 3 360.349 0.595 10 0 FCAEHM O=C(NC1CC1)c1nn[n-]c1NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000297743913 489234124 /nfs/dbraw/zinc/23/41/24/489234124.db2.gz NNJSFXPSWNFBRP-LBPRGKRZSA-N -1 3 368.397 0.684 10 0 FCAEHM O=C(NC1CC1)c1[n-]nnc1NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000297743913 489234127 /nfs/dbraw/zinc/23/41/27/489234127.db2.gz NNJSFXPSWNFBRP-LBPRGKRZSA-N -1 3 368.397 0.684 10 0 FCAEHM O=C(NC1CC1)c1n[n-]nc1NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000297743913 489234130 /nfs/dbraw/zinc/23/41/30/489234130.db2.gz NNJSFXPSWNFBRP-LBPRGKRZSA-N -1 3 368.397 0.684 10 0 FCAEHM C[C@@H]1Oc2ccccc2N(CC(=O)Nc2[n-]nnc2C(=O)NC2CC2)C1=O ZINC000297843839 489250607 /nfs/dbraw/zinc/25/06/07/489250607.db2.gz WUOIGHZHIJVCLW-VIFPVBQESA-N -1 3 370.369 0.450 10 0 FCAEHM C[C@@H]1Oc2ccccc2N(CC(=O)Nc2nn[n-]c2C(=O)NC2CC2)C1=O ZINC000297843839 489250608 /nfs/dbraw/zinc/25/06/08/489250608.db2.gz WUOIGHZHIJVCLW-VIFPVBQESA-N -1 3 370.369 0.450 10 0 FCAEHM C[C@@H]1Oc2ccccc2N(CC(=O)Nc2n[n-]nc2C(=O)NC2CC2)C1=O ZINC000297843839 489250611 /nfs/dbraw/zinc/25/06/11/489250611.db2.gz WUOIGHZHIJVCLW-VIFPVBQESA-N -1 3 370.369 0.450 10 0 FCAEHM CN(C)c1nc(C(=O)Nc2cn(C)cc(Br)c2=O)cc(=O)[n-]1 ZINC000555248782 491242820 /nfs/dbraw/zinc/24/28/20/491242820.db2.gz MYFZGXHIRVJFRC-UHFFFAOYSA-N -1 3 368.191 0.962 10 0 FCAEHM COC[C@H]1CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1cccnc1 ZINC000349453820 489289838 /nfs/dbraw/zinc/28/98/38/489289838.db2.gz ASIQKFUPDAZKTE-CYBMUJFWSA-N -1 3 363.461 0.264 10 0 FCAEHM CC[C@H]1CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1c[nH]nc1C ZINC000349462942 489291235 /nfs/dbraw/zinc/29/12/35/489291235.db2.gz AUXCGRQPYIPIJN-NSHDSACASA-N -1 3 350.466 0.664 10 0 FCAEHM Cc1n[nH]c(C)c1[N-]S(=O)(=O)CCCS(=O)(=O)N1C[C@H](C)[C@@H]1C ZINC000349475486 489294313 /nfs/dbraw/zinc/29/43/13/489294313.db2.gz FNFZIUYVLLMEQQ-CABZTGNLSA-N -1 3 364.493 0.828 10 0 FCAEHM Cc1n[nH]c(C)c1[N-]S(=O)(=O)CCCS(=O)(=O)N1CCC[C@H]1C ZINC000349500381 489301098 /nfs/dbraw/zinc/30/10/98/489301098.db2.gz GRCZOGTTYSGGHM-SNVBAGLBSA-N -1 3 364.493 0.972 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)c2ccnc(N3CCN(C)CC3)c2)nc1=N ZINC000570521444 491247178 /nfs/dbraw/zinc/24/71/78/491247178.db2.gz RLUCAHMEDFJCIZ-CQSZACIVSA-N -1 3 370.461 0.352 10 0 FCAEHM O=S(=O)(CCCS(=O)(=O)N[C@@H]1C[C@H]2C[C@H]2C1)[N-]c1cccnc1 ZINC000349545820 489312642 /nfs/dbraw/zinc/31/26/42/489312642.db2.gz CVZRRPBTDJUMKI-DABQJJPHSA-N -1 3 359.473 0.931 10 0 FCAEHM O=S(=O)(CCCCS(=O)(=O)N1CC[C@@H]1C1CC1)[N-]c1ccnnc1 ZINC000349602833 489325486 /nfs/dbraw/zinc/32/54/86/489325486.db2.gz AQAJQVUVDKYHGW-CQSZACIVSA-N -1 3 374.488 0.813 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCC[C@H]1C(=O)N(C)C ZINC000298453832 489327805 /nfs/dbraw/zinc/32/78/05/489327805.db2.gz WBMKMPFNNMOFCX-AAEUAGOBSA-N -1 3 371.434 0.572 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCO[C@H]2CCN(C)C[C@H]21 ZINC000285898842 489331461 /nfs/dbraw/zinc/33/14/61/489331461.db2.gz SQKFQDXTMIQBLR-XQQFMLRXSA-N -1 3 373.500 0.346 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)oc1C ZINC000370265188 489337134 /nfs/dbraw/zinc/33/71/34/489337134.db2.gz NBWFBYRJINXVFY-MKPLZMMCSA-N -1 3 356.400 0.662 10 0 FCAEHM CC[C@@H](NC(=O)CN1CC(=O)[N-]C1=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000370480852 489365180 /nfs/dbraw/zinc/36/51/80/489365180.db2.gz URAVATICKDGQRT-CVEARBPZSA-N -1 3 374.441 0.334 10 0 FCAEHM CS(=O)(=O)CCCS(=O)(=O)[N-]Cc1ncn(-c2ccccc2)n1 ZINC000555456410 491251038 /nfs/dbraw/zinc/25/10/38/491251038.db2.gz SNEYMYUSEWXFON-UHFFFAOYSA-N -1 3 358.445 0.121 10 0 FCAEHM COc1ccc(NC(=O)[C@H]2CCCN2C(=O)C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000362394920 489385414 /nfs/dbraw/zinc/38/54/14/489385414.db2.gz GDXHPEMDALVQHG-QWHCGFSZSA-N -1 3 360.370 0.223 10 0 FCAEHM C[C@@]1([N-]S(=O)(=O)c2cccnc2C(F)(F)F)CCS(=O)(=O)C1 ZINC000286488684 489396208 /nfs/dbraw/zinc/39/62/08/489396208.db2.gz LEELUUVRSHAMPK-SNVBAGLBSA-N -1 3 358.363 0.956 10 0 FCAEHM CCCN(CC(=O)NC)C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000299045747 489399305 /nfs/dbraw/zinc/39/93/05/489399305.db2.gz GVLHLRKEMUYIMD-NSHDSACASA-N -1 3 359.423 0.477 10 0 FCAEHM CCS(=O)(=O)NCCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000363014233 489411744 /nfs/dbraw/zinc/41/17/44/489411744.db2.gz UBTAYOGQATXOFI-ZDUSSCGKSA-N -1 3 369.443 0.052 10 0 FCAEHM O=C(NCC1(CO)CCOCC1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000370865434 489415712 /nfs/dbraw/zinc/41/57/12/489415712.db2.gz SNFHVDCSILKCRY-OAHLLOKOSA-N -1 3 362.426 0.902 10 0 FCAEHM COCCN1CCCN(C(=O)C[N-]S(=O)(=O)c2cccs2)CC1 ZINC000299229203 489421252 /nfs/dbraw/zinc/42/12/52/489421252.db2.gz FHMMNTLPOLVYDM-UHFFFAOYSA-N -1 3 361.489 0.207 10 0 FCAEHM COC[C@@H]([N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C)[C@H]1CCCO1 ZINC000632287906 492965921 /nfs/dbraw/zinc/96/59/21/492965921.db2.gz AIAASJPPQLFQHB-NXEZZACHSA-N -1 3 357.354 0.911 10 0 FCAEHM COc1cc2c(cc1OC)CCN(C(=O)c1cn(C)c(=O)[n-]c1=O)CC2 ZINC000363108758 489424696 /nfs/dbraw/zinc/42/46/96/489424696.db2.gz IXFFTUZWNACMRJ-UHFFFAOYSA-N -1 3 359.382 0.744 10 0 FCAEHM C[C@H](Cn1cncn1)NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000299599466 489460893 /nfs/dbraw/zinc/46/08/93/489460893.db2.gz FROUARSXJHYJLA-CYBMUJFWSA-N -1 3 358.402 0.540 10 0 FCAEHM COC(=O)[C@H](O)C(C)(C)[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000287229577 489471415 /nfs/dbraw/zinc/47/14/15/489471415.db2.gz GGBRVHWZDJJMRF-VIFPVBQESA-N -1 3 356.322 0.691 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)N2CCO[C@]3(CCOC3)C2)ccc1F ZINC000287238844 489471708 /nfs/dbraw/zinc/47/17/08/489471708.db2.gz OPXHKKNFTVJZDX-OAHLLOKOSA-N -1 3 373.406 0.757 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCc3[nH]cnc3C2)ccc1F ZINC000371349821 489479308 /nfs/dbraw/zinc/47/93/08/489479308.db2.gz MUHSTODKUSTZHK-JTQLQIEISA-N -1 3 352.391 0.744 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCc3nc[nH]c3C2)ccc1F ZINC000371349821 489479310 /nfs/dbraw/zinc/47/93/10/489479310.db2.gz MUHSTODKUSTZHK-JTQLQIEISA-N -1 3 352.391 0.744 10 0 FCAEHM COC(=O)c1ncccc1S(=O)(=O)[N-]C[C@@H](O)Cc1ccccc1 ZINC000451224083 489493343 /nfs/dbraw/zinc/49/33/43/489493343.db2.gz BYINFVARHINJGW-ZDUSSCGKSA-N -1 3 350.396 0.750 10 0 FCAEHM COC(=O)c1ncccc1S(=O)(=O)[N-][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000451280141 489496972 /nfs/dbraw/zinc/49/69/72/489496972.db2.gz GEPQCMINKSUODG-GMTAPVOTSA-N -1 3 353.400 0.156 10 0 FCAEHM CCOc1ccncc1S(=O)(=O)[N-][C@@H](CC)C(=O)N1CCOCC1 ZINC000451303364 489498004 /nfs/dbraw/zinc/49/80/04/489498004.db2.gz MHEJNWKEDLAQLA-LBPRGKRZSA-N -1 3 357.432 0.396 10 0 FCAEHM CCOc1ccncc1S(=O)(=O)[N-]C[C@@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000451370730 489500678 /nfs/dbraw/zinc/50/06/78/489500678.db2.gz CVPSTNFQPMAUOH-AAEUAGOBSA-N -1 3 357.432 0.394 10 0 FCAEHM CCOc1ccncc1S(=O)(=O)[N-][C@H]1CCOC[C@@H]1OCCOC ZINC000451431916 489503708 /nfs/dbraw/zinc/50/37/08/489503708.db2.gz ZBSPAUOGOQMIIQ-JSGCOSHPSA-N -1 3 360.432 0.579 10 0 FCAEHM COC[C@](C)(O)CC[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000451653798 489514542 /nfs/dbraw/zinc/51/45/42/489514542.db2.gz NLRFCAWAWPYJKM-CYBMUJFWSA-N -1 3 369.436 0.295 10 0 FCAEHM COC[C@@](C)(O)CC[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000451653799 489514611 /nfs/dbraw/zinc/51/46/11/489514611.db2.gz NLRFCAWAWPYJKM-ZDUSSCGKSA-N -1 3 369.436 0.295 10 0 FCAEHM COC[C@@](C)(O)CC[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000451662560 489515293 /nfs/dbraw/zinc/51/52/93/489515293.db2.gz VUWAQWCTDLECKM-HNNXBMFYSA-N -1 3 360.407 0.776 10 0 FCAEHM COC(=O)c1nscc1S(=O)(=O)[N-]C[C@H]1CCCCN1CCO ZINC000451674922 489517370 /nfs/dbraw/zinc/51/73/70/489517370.db2.gz ZEZPZQNOSZPHBM-SNVBAGLBSA-N -1 3 363.461 0.055 10 0 FCAEHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC2(CF)CCOCC2)cn1 ZINC000451818828 489524999 /nfs/dbraw/zinc/52/49/99/489524999.db2.gz ZURLGGJXRLSVLK-UHFFFAOYSA-N -1 3 366.436 0.530 10 0 FCAEHM CCc1ncc(C[N-]S(=O)(=O)CCNS(=O)(=O)c2ccccc2)o1 ZINC000451958795 489534236 /nfs/dbraw/zinc/53/42/36/489534236.db2.gz MFFMIWPFMFVVFW-UHFFFAOYSA-N -1 3 373.456 0.635 10 0 FCAEHM CC1(C)COC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000451985252 489536089 /nfs/dbraw/zinc/53/60/89/489536089.db2.gz WKKYAQXCDKXVRQ-GFCCVEGCSA-N -1 3 362.835 0.907 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F)NC1CCCCC1 ZINC000416382574 489587268 /nfs/dbraw/zinc/58/72/68/489587268.db2.gz JTXJVMUDOOGALM-UHFFFAOYSA-N -1 3 371.390 0.987 10 0 FCAEHM O=C(NCCC[N-]S(=O)(=O)c1cnn2c1OCCC2)c1ccccc1 ZINC000416387888 489587735 /nfs/dbraw/zinc/58/77/35/489587735.db2.gz UZFMPLSBOBARRQ-UHFFFAOYSA-N -1 3 364.427 0.764 10 0 FCAEHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]CCCN3C(=O)CCC3=O)cn21 ZINC000416395234 489589134 /nfs/dbraw/zinc/58/91/34/489589134.db2.gz YOAANPBBGPEGOM-LLVKDONJSA-N -1 3 354.432 0.598 10 0 FCAEHM NC(=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)C1 ZINC000416399176 489589569 /nfs/dbraw/zinc/58/95/69/489589569.db2.gz GQNRRVMFXWNOBU-HTQZYQBOSA-N -1 3 357.363 0.583 10 0 FCAEHM CC[C@@H](CNS(C)(=O)=O)[N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C ZINC000416497956 489601544 /nfs/dbraw/zinc/60/15/44/489601544.db2.gz UEGUYSYWDQOZDM-QWRGUYRKSA-N -1 3 364.493 0.387 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-][C@H](C)C(=O)NCCc2ccccc2)c1 ZINC000416515750 489604269 /nfs/dbraw/zinc/60/42/69/489604269.db2.gz NHRWWERMCLGASU-CYBMUJFWSA-N -1 3 350.444 0.929 10 0 FCAEHM O=C(NCCCN1C(=O)CNC1=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000372604346 489606841 /nfs/dbraw/zinc/60/68/41/489606841.db2.gz JWMUOQHQXOPZLR-ZDUSSCGKSA-N -1 3 374.397 0.055 10 0 FCAEHM O=S(=O)([N-]C[C@H](O)Cn1ccnn1)c1cc(Cl)ccc1Cl ZINC000416550961 489608720 /nfs/dbraw/zinc/60/87/20/489608720.db2.gz ADSSREJRYHPUDM-VIFPVBQESA-N -1 3 351.215 0.924 10 0 FCAEHM O=S(=O)([N-]C[C@H](O)Cn1ccnn1)c1ccccc1C(F)(F)F ZINC000416551445 489609169 /nfs/dbraw/zinc/60/91/69/489609169.db2.gz ANTKHAYGVDUADP-VIFPVBQESA-N -1 3 350.322 0.636 10 0 FCAEHM COCCNC(=O)C1([N-]S(=O)(=O)c2cccnc2C(F)(F)F)CC1 ZINC000416573619 489612041 /nfs/dbraw/zinc/61/20/41/489612041.db2.gz VUBNPYUJLINNQT-UHFFFAOYSA-N -1 3 367.349 0.674 10 0 FCAEHM COC(=O)[C@H](CC1CC1)[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000416575852 489613366 /nfs/dbraw/zinc/61/33/66/489613366.db2.gz CARGPFJUWZITOL-NSHDSACASA-N -1 3 361.441 0.710 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)c3sccc3-n3cnnn3)cc2n(C)c1=O ZINC000428014259 489632642 /nfs/dbraw/zinc/63/26/42/489632642.db2.gz MXTMFGJONYNIKW-UHFFFAOYSA-N -1 3 371.382 0.872 10 0 FCAEHM C[C@H]1CN(CCO)CCN1C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000457089621 489635100 /nfs/dbraw/zinc/63/51/00/489635100.db2.gz DJEVVFOIDKGXSJ-JTQLQIEISA-N -1 3 351.353 0.945 10 0 FCAEHM CC[C@@H]1[C@@H](CO)CCN1C(=O)NCc1ccc(S(=O)(=O)[N-]C)s1 ZINC000457563041 489648860 /nfs/dbraw/zinc/64/88/60/489648860.db2.gz BEEYFVAAGAXSEX-ZYHUDNBSSA-N -1 3 361.489 0.959 10 0 FCAEHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCN(CCO)[C@H](C)C1 ZINC000428522564 489652352 /nfs/dbraw/zinc/65/23/52/489652352.db2.gz BEGXKRHJXHMBLT-CYBMUJFWSA-N -1 3 371.441 0.620 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)CNC(=O)COc2ccccc2)nc1=N ZINC000570886962 491271661 /nfs/dbraw/zinc/27/16/61/491271661.db2.gz QLASTZNYPXAVEG-CYBMUJFWSA-N -1 3 358.402 0.086 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(CCOC)nn2C)c(C)o1 ZINC000489295432 489705187 /nfs/dbraw/zinc/70/51/87/489705187.db2.gz QLUARTYDMUZMMF-UHFFFAOYSA-N -1 3 356.404 0.671 10 0 FCAEHM NC(=O)c1cn(C2CN(Cc3cc([O-])ccc3Br)C2)nn1 ZINC000459617699 489742901 /nfs/dbraw/zinc/74/29/01/489742901.db2.gz IDXCPHIDEAUMEO-UHFFFAOYSA-N -1 3 352.192 0.902 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H](CO)CC(F)F ZINC000430530215 489744229 /nfs/dbraw/zinc/74/42/29/489744229.db2.gz GAYFGJMGIOHICZ-DTWKUNHWSA-N -1 3 354.350 0.625 10 0 FCAEHM COc1nc(NC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)n[n-]1 ZINC000490617799 489777175 /nfs/dbraw/zinc/77/71/75/489777175.db2.gz UKGAIEPSRNBARZ-UHFFFAOYSA-N -1 3 359.795 0.774 10 0 FCAEHM COc1nnc(NC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)[n-]1 ZINC000490617799 489777180 /nfs/dbraw/zinc/77/71/80/489777180.db2.gz UKGAIEPSRNBARZ-UHFFFAOYSA-N -1 3 359.795 0.774 10 0 FCAEHM COc1n[n-]c(NC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)n1 ZINC000490617799 489777184 /nfs/dbraw/zinc/77/71/84/489777184.db2.gz UKGAIEPSRNBARZ-UHFFFAOYSA-N -1 3 359.795 0.774 10 0 FCAEHM COc1nnc(NC(=O)c2ccccc2S(=O)(=O)CCN(C)C)[n-]1 ZINC000490763605 489783554 /nfs/dbraw/zinc/78/35/54/489783554.db2.gz ZOGLYDAQGZYZGJ-UHFFFAOYSA-N -1 3 353.404 0.401 10 0 FCAEHM COc1nc(NC(=O)c2ccccc2S(=O)(=O)CCN(C)C)n[n-]1 ZINC000490763605 489783557 /nfs/dbraw/zinc/78/35/57/489783557.db2.gz ZOGLYDAQGZYZGJ-UHFFFAOYSA-N -1 3 353.404 0.401 10 0 FCAEHM COc1n[n-]c(NC(=O)c2ccccc2S(=O)(=O)CCN(C)C)n1 ZINC000490763605 489783558 /nfs/dbraw/zinc/78/35/58/489783558.db2.gz ZOGLYDAQGZYZGJ-UHFFFAOYSA-N -1 3 353.404 0.401 10 0 FCAEHM COCCN1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)OC)c(C)o1 ZINC000431824129 489819300 /nfs/dbraw/zinc/81/93/00/489819300.db2.gz NXSIWCXPZAKTAW-GFCCVEGCSA-N -1 3 360.432 0.764 10 0 FCAEHM NC(=O)c1csc(NCC[N-]S(=O)(=O)c2ccc(Cl)s2)n1 ZINC000432342675 489839203 /nfs/dbraw/zinc/83/92/03/489839203.db2.gz MISRIDPKDBHRRA-UHFFFAOYSA-N -1 3 366.877 1.347 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N(C)[C@@H](CO)CC(C)C)cn1C ZINC000475970207 489859186 /nfs/dbraw/zinc/85/91/86/489859186.db2.gz VRPRRBNNAIVVAZ-CYBMUJFWSA-N -1 3 360.480 0.262 10 0 FCAEHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]Cc2cc(C(N)=O)co2)c1 ZINC000494323952 489883184 /nfs/dbraw/zinc/88/31/84/489883184.db2.gz ZAXJCHZWSASSPV-UHFFFAOYSA-N -1 3 356.331 0.783 10 0 FCAEHM CC(C)[C@H](NS(C)(=O)=O)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000476480715 489893016 /nfs/dbraw/zinc/89/30/16/489893016.db2.gz APALBFNPIRTHDR-ZDUSSCGKSA-N -1 3 352.420 0.303 10 0 FCAEHM CC(C)[C@H](NS(C)(=O)=O)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000476480715 489893020 /nfs/dbraw/zinc/89/30/20/489893020.db2.gz APALBFNPIRTHDR-ZDUSSCGKSA-N -1 3 352.420 0.303 10 0 FCAEHM COc1nn(C)cc1NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000476571549 489900211 /nfs/dbraw/zinc/90/02/11/489900211.db2.gz KGTUZOCHXLRXGY-VIFPVBQESA-N -1 3 356.379 0.873 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)c3ccc(S(C)(=O)=O)o3)cc2n(C)c1=O ZINC000461612969 489921664 /nfs/dbraw/zinc/92/16/64/489921664.db2.gz KKNIVFIZARBQNP-UHFFFAOYSA-N -1 3 365.367 0.831 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)c3cccc(OCC(N)=O)c3)cc2n(C)c1=O ZINC000461614547 489921706 /nfs/dbraw/zinc/92/17/06/489921706.db2.gz PMOVODGAEBHBCS-UHFFFAOYSA-N -1 3 370.365 0.699 10 0 FCAEHM COCCN1CC[C@H](NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000377579564 489925383 /nfs/dbraw/zinc/92/53/83/489925383.db2.gz DYMFLBKUWCOXPQ-GOEBONIOSA-N -1 3 361.442 0.834 10 0 FCAEHM COc1ccc2c(c1)[n-]cc(C(=O)N[C@H]1CC(=O)N(C(C)C)C1=O)c2=O ZINC000434385009 489925782 /nfs/dbraw/zinc/92/57/82/489925782.db2.gz OIYGHVBMKBGNBW-AWEZNQCLSA-N -1 3 357.366 0.802 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]C[C@@H](N1CCOCC1)C(F)(F)F)C1CC1 ZINC000571161411 491289284 /nfs/dbraw/zinc/28/92/84/491289284.db2.gz KDDSAHBFHJWUBA-NWDGAFQWSA-N -1 3 360.398 0.594 10 0 FCAEHM C[C@@H](O)C(=O)N1CCN(C(=O)Cc2ccc(Br)cc2[O-])CC1 ZINC000477433126 489964555 /nfs/dbraw/zinc/96/45/55/489964555.db2.gz HVFPSMSGPUSODZ-SNVBAGLBSA-N -1 3 371.231 0.749 10 0 FCAEHM COc1ccc2c(c1)[n-]cc(C(=O)N1CCCS(=O)(=O)CC1)c2=O ZINC000377765756 489954973 /nfs/dbraw/zinc/95/49/73/489954973.db2.gz AZTBMIRIWMBTGR-UHFFFAOYSA-N -1 3 350.396 0.797 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CCCS(=O)(=O)CC1 ZINC000377767566 489955481 /nfs/dbraw/zinc/95/54/81/489955481.db2.gz FMJUMCIYQZWTJE-CQSZACIVSA-N -1 3 366.439 0.644 10 0 FCAEHM O=C(CCN1CCC[C@]2(C1)NC(=O)[N-]C2=O)NCC(=O)c1ccccc1 ZINC000434787766 489956633 /nfs/dbraw/zinc/95/66/33/489956633.db2.gz WGQWJLPQNPOXQC-GOSISDBHSA-N -1 3 358.398 0.050 10 0 FCAEHM COc1ccccc1[C@H](C)N(C)C(=O)CN1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000434799701 489958132 /nfs/dbraw/zinc/95/81/32/489958132.db2.gz VMFWNHVLKBCMPZ-DJJJIMSYSA-N -1 3 374.441 0.889 10 0 FCAEHM C[C@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CCS1(=O)=O ZINC000377788423 489958365 /nfs/dbraw/zinc/95/83/65/489958365.db2.gz YFACTUPIMWRIMA-GXTWGEPZSA-N -1 3 366.439 0.642 10 0 FCAEHM CCOCc1nc([C@@H](C)[N-]S(=O)(=O)CC2(C(=O)OC)CCC2)no1 ZINC000462129673 489959241 /nfs/dbraw/zinc/95/92/41/489959241.db2.gz LCFVGLHBWBRGOZ-SNVBAGLBSA-N -1 3 361.420 0.930 10 0 FCAEHM NS(=O)(=O)CCCS(=O)(=O)c1nnc([N-]c2ccccc2)s1 ZINC000556073028 491292108 /nfs/dbraw/zinc/29/21/08/491292108.db2.gz NLHHVUUQFUKRAV-UHFFFAOYSA-N -1 3 362.458 0.734 10 0 FCAEHM COCC[C@H](COC)NC(=O)N1CCC[C@@H]1C[C@@]1(C)NC(=O)[N-]C1=O ZINC000462517586 489979919 /nfs/dbraw/zinc/97/99/19/489979919.db2.gz MKAUDSGJRZTETH-XHBSWPGZSA-N -1 3 356.423 0.200 10 0 FCAEHM CN(C)C(=O)c1ccc(NC(=O)CN2CCC[C@H]2c2nc(=N)n(C)[n-]2)cc1 ZINC000556085120 491293055 /nfs/dbraw/zinc/29/30/55/491293055.db2.gz SHUPDOZOANOMPG-AWEZNQCLSA-N -1 3 371.445 0.705 10 0 FCAEHM C[C@H]1C[C@H]([N-]S(=O)(=O)CCCS(C)(=O)=O)C(=O)N1c1ccccc1 ZINC000462719607 489989783 /nfs/dbraw/zinc/98/97/83/489989783.db2.gz GPSUOLTXIWWQCY-JSGCOSHPSA-N -1 3 374.484 0.535 10 0 FCAEHM CCn1ncnc1CNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000478030025 490001755 /nfs/dbraw/zinc/00/17/55/490001755.db2.gz QSPGCHHNXWMRNX-JTQLQIEISA-N -1 3 355.395 0.420 10 0 FCAEHM COCCc1cc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)n(C)n1 ZINC000436747881 490011773 /nfs/dbraw/zinc/01/17/73/490011773.db2.gz PKHXYYJOFZGSEM-UHFFFAOYSA-N -1 3 361.402 0.866 10 0 FCAEHM CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436817313 490012997 /nfs/dbraw/zinc/01/29/97/490012997.db2.gz AIKIJDOXLAPRQM-UWVGGRQHSA-N -1 3 365.386 0.537 10 0 FCAEHM COC(=O)[C@@H](O)C(C)(C)[N-]S(=O)(=O)C[C@H](Cc1ccccc1)OC ZINC000420738451 490016166 /nfs/dbraw/zinc/01/61/66/490016166.db2.gz ZGFZWRUSEDYHFF-UONOGXRCSA-N -1 3 359.444 0.476 10 0 FCAEHM CC(C)[C@H](CNC(=O)c1cc(=O)[n-]c(N(C)C)n1)N1CCN(C)CC1 ZINC000463456101 490017976 /nfs/dbraw/zinc/01/79/76/490017976.db2.gz YSLOCLXJLGVNHC-AWEZNQCLSA-N -1 3 350.467 0.250 10 0 FCAEHM C[C@@H](O)[C@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)c1ccccc1F ZINC000564220926 491295123 /nfs/dbraw/zinc/29/51/23/491295123.db2.gz CIAVNKWFWMMMAJ-BMIGLBTASA-N -1 3 370.406 0.076 10 0 FCAEHM C[C@]1(c2ccc(C(=O)NCCCCN3CCOCC3)cc2)NC(=O)[N-]C1=O ZINC000478753150 490035413 /nfs/dbraw/zinc/03/54/13/490035413.db2.gz JXLKLEJIZMUERK-LJQANCHMSA-N -1 3 374.441 0.583 10 0 FCAEHM C[C@H](CC(N)=O)NC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000464732544 490064827 /nfs/dbraw/zinc/06/48/27/490064827.db2.gz MAJLBIQXMPZKOX-SECBINFHSA-N -1 3 371.440 0.813 10 0 FCAEHM CCOC(=O)c1sc([C@H](C)NC(=O)CN2CC(=O)[N-]C2=O)nc1C ZINC000465122127 490083364 /nfs/dbraw/zinc/08/33/64/490083364.db2.gz RSTYNZQPPBPSQC-QMMMGPOBSA-N -1 3 354.388 0.357 10 0 FCAEHM CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000519821058 490091345 /nfs/dbraw/zinc/09/13/45/490091345.db2.gz CTIXOWDPHCVJSQ-XNJGSVPQSA-N -1 3 358.402 0.839 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1C[C@H](C)C[C@H](CO)C1 ZINC000421940521 490117582 /nfs/dbraw/zinc/11/75/82/490117582.db2.gz PVPWXMFWHABVIZ-AGIUHOORSA-N -1 3 358.435 0.969 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-][C@@H]2CCN(c3ccccc3OC)C2=O)c1 ZINC000465500100 490126757 /nfs/dbraw/zinc/12/67/57/490126757.db2.gz ZAAHZLHIVSWEEV-GFCCVEGCSA-N -1 3 364.427 0.995 10 0 FCAEHM CCOC(=O)CCS(=O)(=O)[N-]Cc1nn(C)cc1Br ZINC000393652634 490158899 /nfs/dbraw/zinc/15/88/99/490158899.db2.gz FSZIFTUNOJZVEX-UHFFFAOYSA-N -1 3 354.226 0.555 10 0 FCAEHM Cn1cc(-c2nc3ccccn3c2NC(=O)CN2CC(=O)[N-]C2=O)cn1 ZINC000466431067 490185672 /nfs/dbraw/zinc/18/56/72/490185672.db2.gz KSVOPNJCWFWHJF-UHFFFAOYSA-N -1 3 353.342 0.225 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N3CC[C@H]3C(F)(F)F)cnc21 ZINC000564409224 491305834 /nfs/dbraw/zinc/30/58/34/491305834.db2.gz FUGYBLJWZPUSGK-QMMMGPOBSA-N -1 3 364.305 0.359 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)CNC(=O)c2cccnc2)s1 ZINC000480429970 490189145 /nfs/dbraw/zinc/18/91/45/490189145.db2.gz UVSBWPDXBUVENV-UHFFFAOYSA-N -1 3 368.440 0.097 10 0 FCAEHM O=C(NCCOCc1ccc(Cl)cc1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000546143550 490195445 /nfs/dbraw/zinc/19/54/45/490195445.db2.gz UAJHJNCBWAAGPZ-CYBMUJFWSA-N -1 3 366.805 0.802 10 0 FCAEHM CC1(Cn2cc(C(=O)Nc3ccc(Cc4nnn[n-]4)cc3)nn2)COC1 ZINC000546148885 490197774 /nfs/dbraw/zinc/19/77/74/490197774.db2.gz VLKVYMXZSRNRGR-UHFFFAOYSA-N -1 3 354.374 0.671 10 0 FCAEHM CC1(Cn2cc(C(=O)Nc3ccc(Cc4nn[n-]n4)cc3)nn2)COC1 ZINC000546148885 490197784 /nfs/dbraw/zinc/19/77/84/490197784.db2.gz VLKVYMXZSRNRGR-UHFFFAOYSA-N -1 3 354.374 0.671 10 0 FCAEHM CCc1nc(C[N-]S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)cs1 ZINC000480638520 490220548 /nfs/dbraw/zinc/22/05/48/490220548.db2.gz JHKZMQTUYCAAAO-UHFFFAOYSA-N -1 3 361.470 0.983 10 0 FCAEHM CCCS(=O)(=O)Nc1cccc(NC(=O)CN2CC(=O)[N-]C2=O)c1C ZINC000521071201 490222119 /nfs/dbraw/zinc/22/21/19/490222119.db2.gz ACMTZEMLFHIVAX-UHFFFAOYSA-N -1 3 368.415 0.637 10 0 FCAEHM CNC(=O)[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000497933767 490234082 /nfs/dbraw/zinc/23/40/82/490234082.db2.gz GINOBEXXGKFZGI-QWRGUYRKSA-N -1 3 360.457 0.283 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1CCN2CCCC[C@H]12 ZINC000408061642 490235037 /nfs/dbraw/zinc/23/50/37/490235037.db2.gz KXSVQCONBWUIOL-CHWSQXEVSA-N -1 3 358.485 0.995 10 0 FCAEHM C[C@@H](NC(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1)c1ccc(-n2ccnn2)cc1 ZINC000546848160 490251372 /nfs/dbraw/zinc/25/13/72/490251372.db2.gz MFQAXRWDIATSCL-RISCZKNCSA-N -1 3 369.385 0.274 10 0 FCAEHM COC(=O)COc1cccc(C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000447750831 490264443 /nfs/dbraw/zinc/26/44/43/490264443.db2.gz NBDVWELGCWSJON-KRWDZBQOSA-N -1 3 361.354 0.053 10 0 FCAEHM NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000467204231 490266888 /nfs/dbraw/zinc/26/68/88/490266888.db2.gz XUKRLFARYQAPAC-NEPJUHHUSA-N -1 3 373.500 0.967 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]Cc2ccc(S(N)(=O)=O)c(C)c2)c1 ZINC000447853991 490282575 /nfs/dbraw/zinc/28/25/75/490282575.db2.gz JQWDKZUEKUTEHO-UHFFFAOYSA-N -1 3 358.445 0.337 10 0 FCAEHM CN(C)[C@@H](C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)c1cncn1C ZINC000571547206 491314624 /nfs/dbraw/zinc/31/46/24/491314624.db2.gz NHKAXUINKYUZQW-OAHLLOKOSA-N -1 3 358.402 0.558 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@]3(CNC(=O)C3)C2)c(C)o1 ZINC000408253615 490287789 /nfs/dbraw/zinc/28/77/89/490287789.db2.gz ILGDOMVBRVHGMU-HNNXBMFYSA-N -1 3 355.416 0.238 10 0 FCAEHM O=C(c1cn(CC2CC2)nn1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000564632050 491317296 /nfs/dbraw/zinc/31/72/96/491317296.db2.gz PSIZIGZNSOPKDY-UHFFFAOYSA-N -1 3 355.398 0.992 10 0 FCAEHM C[C@]1(c2ccc(C(=O)N[C@H]3CCCCC[C@H]3C(N)=O)cc2)NC(=O)[N-]C1=O ZINC000467684304 490329126 /nfs/dbraw/zinc/32/91/26/490329126.db2.gz BTMZRRNGDJLIIH-BIENJYKASA-N -1 3 372.425 0.905 10 0 FCAEHM CC1(C)Cc2ccc(C(=O)N3CCC[C@@H](S(N)(=O)=O)C3)c([O-])c2O1 ZINC000408409295 490329794 /nfs/dbraw/zinc/32/97/94/490329794.db2.gz WFLNPKIGBCAOMR-LLVKDONJSA-N -1 3 354.428 0.999 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@H]1CCCCC[C@@H]1C(N)=O ZINC000467757091 490337203 /nfs/dbraw/zinc/33/72/03/490337203.db2.gz WVUBMYHRENFNTK-SRVKXCTJSA-N -1 3 373.500 0.965 10 0 FCAEHM C[C@H]1CCN(C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)C[C@H]1C(=O)[O-] ZINC000564655846 491318777 /nfs/dbraw/zinc/31/87/77/491318777.db2.gz MRZGLSZKZGUNLW-UONOGXRCSA-N -1 3 353.463 0.888 10 0 FCAEHM CN(Cc1cc[nH]n1)C(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2C ZINC000522116886 490342817 /nfs/dbraw/zinc/34/28/17/490342817.db2.gz RUSRDOAPLXYKEL-UHFFFAOYSA-N -1 3 354.370 0.907 10 0 FCAEHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CC(=O)Nc1ccn(C)n1 ZINC000564683078 491320590 /nfs/dbraw/zinc/32/05/90/491320590.db2.gz PWCZTWJWFLJAJE-UHFFFAOYSA-N -1 3 358.807 0.999 10 0 FCAEHM Cc1cc(S(=O)(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)c(Cl)cc1F ZINC000498912370 490364520 /nfs/dbraw/zinc/36/45/20/490364520.db2.gz UUCQWGDGPZWTHE-JTQLQIEISA-N -1 3 361.782 0.712 10 0 FCAEHM CC(=O)N1CCN(C(=O)Nc2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)[C@@H](C)C1 ZINC000547831300 490365087 /nfs/dbraw/zinc/36/50/87/490365087.db2.gz OLYLWZHYCSSREH-NHYWBVRUSA-N -1 3 373.413 0.522 10 0 FCAEHM CC1(C)C(=O)NC(=O)N1CC(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000468175141 490371251 /nfs/dbraw/zinc/37/12/51/490371251.db2.gz SUMZNRYXJILHOJ-UHFFFAOYSA-N -1 3 372.378 0.466 10 0 FCAEHM CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000564704188 491321493 /nfs/dbraw/zinc/32/14/93/491321493.db2.gz KPJBXQLFVVZOKV-BEFAXECRSA-N -1 3 370.409 0.160 10 0 FCAEHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000499080870 490386668 /nfs/dbraw/zinc/38/66/68/490386668.db2.gz ZSNYFMHTUFYZAW-UHFFFAOYSA-N -1 3 365.411 0.615 10 0 FCAEHM O=C(NC1CC1)c1nn[n-]c1NC(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000411106473 490388256 /nfs/dbraw/zinc/38/82/56/490388256.db2.gz AKLYQZQJRIAYCB-UHFFFAOYSA-N -1 3 354.370 0.841 10 0 FCAEHM O=C(NC1CC1)c1[n-]nnc1NC(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000411106473 490388263 /nfs/dbraw/zinc/38/82/63/490388263.db2.gz AKLYQZQJRIAYCB-UHFFFAOYSA-N -1 3 354.370 0.841 10 0 FCAEHM O=C(NC1CC1)c1n[n-]nc1NC(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000411106473 490388268 /nfs/dbraw/zinc/38/82/68/490388268.db2.gz AKLYQZQJRIAYCB-UHFFFAOYSA-N -1 3 354.370 0.841 10 0 FCAEHM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C(=O)[N-]c2nccn2-c2ccccc2)CC1=O ZINC000411292233 490423368 /nfs/dbraw/zinc/42/33/68/490423368.db2.gz JYXJLXCPVNCPFO-NFAWXSAZSA-N -1 3 367.409 0.936 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)[C@H](C)CN1CCO ZINC000571744232 491325888 /nfs/dbraw/zinc/32/58/88/491325888.db2.gz VZSNLESFYRTCKF-VLXJIEOASA-N -1 3 374.441 0.268 10 0 FCAEHM C[C@H]1CN(C(=O)C(=O)[N-]c2nccn2-c2ccccc2)CCN1CCO ZINC000411374144 490442530 /nfs/dbraw/zinc/44/25/30/490442530.db2.gz KRWRZJYPDKAFHN-AWEZNQCLSA-N -1 3 357.414 0.336 10 0 FCAEHM C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)C(=O)[N-]c1nccn1-c1ccccc1 ZINC000411383506 490446352 /nfs/dbraw/zinc/44/63/52/490446352.db2.gz GKRKSERGOHPMLA-CHWSQXEVSA-N -1 3 355.398 0.923 10 0 FCAEHM Cc1noc(CN2CCN(C(=O)c3ccc4c(c3)C(=O)[N-]C4=O)CC2)n1 ZINC000523414995 490461568 /nfs/dbraw/zinc/46/15/68/490461568.db2.gz CMRLUZKZPJLEEF-UHFFFAOYSA-N -1 3 355.354 0.220 10 0 FCAEHM CCOC(=O)[C@@H](CC)C(=O)NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000411857226 490486699 /nfs/dbraw/zinc/48/66/99/490486699.db2.gz LZBMOTBPLVVXHM-UGSOOPFHSA-N -1 3 361.398 0.947 10 0 FCAEHM CCOC(=O)[C@@H](CC)C(=O)NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000411857225 490487230 /nfs/dbraw/zinc/48/72/30/490487230.db2.gz LZBMOTBPLVVXHM-SCLBCKFNSA-N -1 3 361.398 0.947 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]Cc2cccc(OCC(=O)NC)c2)c1 ZINC000510256427 490502343 /nfs/dbraw/zinc/50/23/43/490502343.db2.gz OFFIWYGCPAQGSP-UHFFFAOYSA-N -1 3 352.416 0.506 10 0 FCAEHM C[C@H](Cn1cncn1)NC(=O)NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000523929570 490503744 /nfs/dbraw/zinc/50/37/44/490503744.db2.gz AILDNMWTXZLPQQ-PIGZYNQJSA-N -1 3 371.401 0.221 10 0 FCAEHM CC(C)[C@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)c1nncn1C ZINC000510425673 490515163 /nfs/dbraw/zinc/51/51/63/490515163.db2.gz APBVLMIBZSEOAM-ZDUSSCGKSA-N -1 3 372.472 0.894 10 0 FCAEHM CN(C(=O)CN1CC(=O)[N-]C1=O)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000524113445 490518729 /nfs/dbraw/zinc/51/87/29/490518729.db2.gz STOSWLDBDCETIK-INIZCTEOSA-N -1 3 359.361 0.659 10 0 FCAEHM CC(C)[C@H]1C[C@@H](CNC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)CCO1 ZINC000571853125 491333207 /nfs/dbraw/zinc/33/32/07/491333207.db2.gz ORDHEYGXTKNIBS-QWHCGFSZSA-N -1 3 358.464 0.266 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCC[C@@]2(CCOC2)C1 ZINC000571860366 491333410 /nfs/dbraw/zinc/33/34/10/491333410.db2.gz QCCDWRQMCSTIRT-OAHLLOKOSA-N -1 3 357.432 0.599 10 0 FCAEHM COC(=O)C[C@@](C)([N-]S(=O)(=O)c1cnc2n1CCC2)c1ccccn1 ZINC000485430428 490530076 /nfs/dbraw/zinc/53/00/76/490530076.db2.gz JOGMQGJTZHHGOC-MRXNPFEDSA-N -1 3 364.427 0.981 10 0 FCAEHM C[C@@H](CNC(=O)C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1)N(C)C1CC1 ZINC000571882011 491334940 /nfs/dbraw/zinc/33/49/40/491334940.db2.gz KPEPHMPHXYQGBP-XKQJLSEDSA-N -1 3 373.453 0.912 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)c1 ZINC000511353117 490584931 /nfs/dbraw/zinc/58/49/31/490584931.db2.gz ZEMVFYDSPLLRRF-AGUYFDCRSA-N -1 3 369.491 0.265 10 0 FCAEHM COc1ccsc1S(=O)(=O)[N-]C[C@H]1CCCCN1S(C)(=O)=O ZINC000511414067 490593103 /nfs/dbraw/zinc/59/31/03/490593103.db2.gz MMBIANZZUKFBSW-SNVBAGLBSA-N -1 3 368.502 0.849 10 0 FCAEHM Cc1nc([C@H](NC(=O)C[C@@H]2NC(=O)[N-]C2=O)c2ccc(Cl)cc2)no1 ZINC000536634269 490600749 /nfs/dbraw/zinc/60/07/49/490600749.db2.gz VKWPTRGUAXNMSR-CMPLNLGQSA-N -1 3 363.761 0.835 10 0 FCAEHM O=C(c1ccccc1)N1CC(S(=O)(=O)[N-][C@@H](CO)CC(F)(F)F)C1 ZINC000501500241 490608862 /nfs/dbraw/zinc/60/88/62/490608862.db2.gz VXAPUSQPQFUAPY-LLVKDONJSA-N -1 3 366.361 0.744 10 0 FCAEHM C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000525939966 490656724 /nfs/dbraw/zinc/65/67/24/490656724.db2.gz ULBAVPLJAHZNTL-RKDXNWHRSA-N -1 3 354.354 0.498 10 0 FCAEHM CC(=O)N1CC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000556930320 491344004 /nfs/dbraw/zinc/34/40/04/491344004.db2.gz NGCSGMBOZSRHRN-GOEBONIOSA-N -1 3 359.426 0.981 10 0 FCAEHM C[C@@H](CNC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)N1CCCCC1=O ZINC000527007928 490691578 /nfs/dbraw/zinc/69/15/78/490691578.db2.gz WUBFGVDMOJLPGF-BUXKBTBVSA-N -1 3 372.425 0.872 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)NCCN(C)C)c2)o1 ZINC000538011237 490704808 /nfs/dbraw/zinc/70/48/08/490704808.db2.gz IDGINDPRFJAIIY-UHFFFAOYSA-N -1 3 355.420 0.263 10 0 FCAEHM CCOC(=O)[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000487372977 490709417 /nfs/dbraw/zinc/70/94/17/490709417.db2.gz HNIUEBJQWGLKLP-RYUDHWBXSA-N -1 3 374.463 0.274 10 0 FCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000487415123 490711227 /nfs/dbraw/zinc/71/12/27/490711227.db2.gz VBSOTVHSNOUVLD-DTWKUNHWSA-N -1 3 364.370 0.699 10 0 FCAEHM COCCN1CCCN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)CC1=O ZINC000527292371 490714744 /nfs/dbraw/zinc/71/47/44/490714744.db2.gz WLIIMMVIVQUULM-UHFFFAOYSA-N -1 3 360.370 0.283 10 0 FCAEHM Cn1cc(C[C@@H](O)C(=O)Nc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)cn1 ZINC000527293928 490714998 /nfs/dbraw/zinc/71/49/98/490714998.db2.gz TVQAVCYTKQHPME-DYVFJYSZSA-N -1 3 357.370 0.017 10 0 FCAEHM Cn1cc(C[C@H](O)C(=O)Nc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)cn1 ZINC000527293929 490715046 /nfs/dbraw/zinc/71/50/46/490715046.db2.gz TVQAVCYTKQHPME-GUYCJALGSA-N -1 3 357.370 0.017 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)C2CN(CC(F)(F)F)C2)s1 ZINC000487773435 490730233 /nfs/dbraw/zinc/73/02/33/490730233.db2.gz YDNGVXMXZZZAJW-UHFFFAOYSA-N -1 3 371.406 0.767 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N2[C@H](C)C[C@@H]2C)s1 ZINC000527474136 490728277 /nfs/dbraw/zinc/72/82/77/490728277.db2.gz BKKQTMSGHIOKGB-AOOOYVTPSA-N -1 3 359.473 0.672 10 0 FCAEHM CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)CNC(=O)c2ccc([O-])cc2)C1 ZINC000557075808 491351950 /nfs/dbraw/zinc/35/19/50/491351950.db2.gz HRAQKJUKLONFFT-AWEZNQCLSA-N -1 3 369.443 0.004 10 0 FCAEHM CN1CC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC1=O ZINC000572150278 491352440 /nfs/dbraw/zinc/35/24/40/491352440.db2.gz PUJKKWHIYXADFS-ZFWWWQNUSA-N -1 3 359.426 0.981 10 0 FCAEHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]C[C@@H]3CC[C@@H](C(=O)N(C)C)O3)cn21 ZINC000557110190 491353518 /nfs/dbraw/zinc/35/35/18/491353518.db2.gz NGAFFHBPEGJHSP-AGIUHOORSA-N -1 3 370.475 0.695 10 0 FCAEHM O=C(CN1CCN(Cc2ccccc2)CC1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000539325614 490777210 /nfs/dbraw/zinc/77/72/10/490777210.db2.gz GNAZCMNQSNRJPU-KRWDZBQOSA-N -1 3 369.473 0.724 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 ZINC000528286438 490785072 /nfs/dbraw/zinc/78/50/72/490785072.db2.gz NAPMXRDUVJOGLR-QWHCGFSZSA-N -1 3 351.421 0.620 10 0 FCAEHM CCOC(=O)C1CCC(CC(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)CC1 ZINC000514938002 490798617 /nfs/dbraw/zinc/79/86/17/490798617.db2.gz DBGYUYUZLWARSO-PWGQDJSOSA-N -1 3 365.430 0.947 10 0 FCAEHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]C[C@@H](O)[C@H]2CCCO2)s1 ZINC000528494853 490803800 /nfs/dbraw/zinc/80/38/00/490803800.db2.gz XWJMFVQGJXAEAK-YUSALJHKSA-N -1 3 362.473 0.763 10 0 FCAEHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NS(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000528545819 490807934 /nfs/dbraw/zinc/80/79/34/490807934.db2.gz DSCQIVSEKUJRGD-UOKLYIGXSA-N -1 3 368.415 0.124 10 0 FCAEHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000540102195 490808309 /nfs/dbraw/zinc/80/83/09/490808309.db2.gz WORNDPCBBVNXPD-UHFFFAOYSA-N -1 3 352.347 0.683 10 0 FCAEHM COc1cc2c(cc1F)CC[C@@H]2NC(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000515155855 490810728 /nfs/dbraw/zinc/81/07/28/490810728.db2.gz OASZYZIODOEQGQ-QWHCGFSZSA-N -1 3 362.361 0.767 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@@]3(CCSC3)C2)c(C)o1 ZINC000572245968 491358126 /nfs/dbraw/zinc/35/81/26/491358126.db2.gz JGNJKDGGBXRNJK-AWEZNQCLSA-N -1 3 360.457 0.844 10 0 FCAEHM CC(C)C[C@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)C(=O)NCCN(C)C ZINC000565187771 491358646 /nfs/dbraw/zinc/35/86/46/491358646.db2.gz HHSNBJWZIJYVMU-ZDUSSCGKSA-N -1 3 363.462 0.882 10 0 FCAEHM COC(=O)CCS(=O)(=O)[N-]c1cccc(N2C(=O)CN(C)C2=O)c1 ZINC000515628977 490833577 /nfs/dbraw/zinc/83/35/77/490833577.db2.gz STIAUOIKWVVSTN-UHFFFAOYSA-N -1 3 355.372 0.390 10 0 FCAEHM COC[C@](C)(CCO)NC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000540899758 490839073 /nfs/dbraw/zinc/83/90/73/490839073.db2.gz CMMXOCMJMHGCTN-ZDUSSCGKSA-N -1 3 350.462 0.320 10 0 FCAEHM O=C(c1cc([O-])cc(Br)c1)N1CCn2nnc(CO)c2C1 ZINC000529411395 490859783 /nfs/dbraw/zinc/85/97/83/490859783.db2.gz PSBMAMLJHAXPHL-UHFFFAOYSA-N -1 3 353.176 0.895 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCC[C@@H]1CCCOC1 ZINC000529597821 490863386 /nfs/dbraw/zinc/86/33/86/490863386.db2.gz PJSUZANFYYFDQC-VIFPVBQESA-N -1 3 360.208 0.644 10 0 FCAEHM CCOc1nc2cc(C(=O)N3CCO[C@@H](CNC(=O)NC)C3)ccc2[n-]1 ZINC000529741494 490870860 /nfs/dbraw/zinc/87/08/60/490870860.db2.gz VGEUXYUMBMPFPQ-LBPRGKRZSA-N -1 3 361.402 0.732 10 0 FCAEHM CCOc1nc2ccc(C(=O)N3CCO[C@@H](CNC(=O)NC)C3)cc2[n-]1 ZINC000529741494 490870862 /nfs/dbraw/zinc/87/08/62/490870862.db2.gz VGEUXYUMBMPFPQ-LBPRGKRZSA-N -1 3 361.402 0.732 10 0 FCAEHM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000529985665 490885449 /nfs/dbraw/zinc/88/54/49/490885449.db2.gz MESDOAYJTBAYSR-UVMAFCGOSA-N -1 3 360.208 0.640 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000530075436 490887551 /nfs/dbraw/zinc/88/75/51/490887551.db2.gz ITDBDMUFMKQKGY-LLVKDONJSA-N -1 3 368.440 0.886 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(N)=O)C2)c(F)c1 ZINC000530431204 490905243 /nfs/dbraw/zinc/90/52/43/490905243.db2.gz WVJKOUJKORIWDC-GXSJLCMTSA-N -1 3 358.391 0.935 10 0 FCAEHM CCO[C@@H]1C[C@@H](NC(=O)CNC(=O)c2cccc([O-])c2)[C@H]1n1cccn1 ZINC000517427597 490908943 /nfs/dbraw/zinc/90/89/43/490908943.db2.gz GAZUMUVOBSVULD-BFYDXBDKSA-N -1 3 358.398 0.853 10 0 FCAEHM Cc1nnc(C[N-]S(=O)(=O)C2CN(C(=O)c3ccccc3)C2)s1 ZINC000542799447 490909920 /nfs/dbraw/zinc/90/99/20/490909920.db2.gz FHGNNCFODHKIOD-UHFFFAOYSA-N -1 3 352.441 0.791 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)N1CCN(C2CC2)C(=O)C1 ZINC000530646893 490917380 /nfs/dbraw/zinc/91/73/80/490917380.db2.gz DXZZEOKNPKDXGM-UHFFFAOYSA-N -1 3 368.393 0.091 10 0 FCAEHM O=C(NCCNc1nc2ccccc2c(NCCO)n1)c1ccc([O-])cc1 ZINC000531146781 490943161 /nfs/dbraw/zinc/94/31/61/490943161.db2.gz PJXBLWCJCNNASV-UHFFFAOYSA-N -1 3 367.409 0.425 10 0 FCAEHM C/C=C\c1ccc(OCC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)c(OC)c1 ZINC000531143895 490943189 /nfs/dbraw/zinc/94/31/89/490943189.db2.gz CJTDZMZHOGXWQI-DHCBQETCSA-N -1 3 359.382 0.870 10 0 FCAEHM O=C(C1CCCC1)N1CC(S(=O)(=O)[N-]Cc2noc(C3CC3)n2)C1 ZINC000543768360 490946116 /nfs/dbraw/zinc/94/61/16/490946116.db2.gz ZEEGRGTXPULYIY-UHFFFAOYSA-N -1 3 354.432 0.767 10 0 FCAEHM CCN(Cc1cn(C)nn1)C(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000543832547 490949228 /nfs/dbraw/zinc/94/92/28/490949228.db2.gz MJHAWGXENIBOCG-QGZVFWFLSA-N -1 3 356.386 0.532 10 0 FCAEHM CCOC(=O)CCCS(=O)(=O)[N-][C@@H]1CCCN(c2cccnc2)C1=O ZINC000544099782 490956926 /nfs/dbraw/zinc/95/69/26/490956926.db2.gz BQSJNCNMXPIYKF-CQSZACIVSA-N -1 3 369.443 0.840 10 0 FCAEHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]CCCn2ccnn2)s1 ZINC000544104013 490957345 /nfs/dbraw/zinc/95/73/45/490957345.db2.gz DNZHOPSGDPLYRV-UHFFFAOYSA-N -1 3 360.417 0.503 10 0 FCAEHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC[C@@H](O)C(F)(F)F)cn1 ZINC000544611205 490973483 /nfs/dbraw/zinc/97/34/83/490973483.db2.gz MPLQCVZCOLOAKA-MRVPVSSYSA-N -1 3 362.351 0.077 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)NC[C@@H](CO)c1cccnc1 ZINC000572689122 491386733 /nfs/dbraw/zinc/38/67/33/491386733.db2.gz ODNGAGAKYAFUQX-LBPRGKRZSA-N -1 3 355.441 0.314 10 0 FCAEHM C[C@@H]1CCN(c2cc(C(=O)N3CCC[C@@]4(C3)NC(=O)[N-]C4=O)ccn2)C1 ZINC000572808786 491395026 /nfs/dbraw/zinc/39/50/26/491395026.db2.gz JKBNGPAMRZVHEA-XIKOKIGWSA-N -1 3 357.414 0.742 10 0 FCAEHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)CC(C)(C)C(=O)OC)[C@H]1n1cccn1 ZINC000572903355 491401230 /nfs/dbraw/zinc/40/12/30/491401230.db2.gz NCNZCMIXAFPBAA-JHJVBQTASA-N -1 3 359.448 0.720 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)Nc1cnc(CC2CC2)nc1 ZINC000572926799 491402380 /nfs/dbraw/zinc/40/23/80/491402380.db2.gz NDAJOAUEEYLTKB-UHFFFAOYSA-N -1 3 365.415 0.951 10 0 FCAEHM CCOC(=O)[C@H]1CCCN(S(=O)(=O)[N-][C@H]2CNCCC2(F)F)C1 ZINC000566224198 491427217 /nfs/dbraw/zinc/42/72/17/491427217.db2.gz HQMRDBQLVHCHMI-QWRGUYRKSA-N -1 3 355.407 0.093 10 0 FCAEHM NC(=O)C1CCC(NC(=O)C[N-]S(=O)(=O)c2ccccc2F)CC1 ZINC000558523050 491434356 /nfs/dbraw/zinc/43/43/56/491434356.db2.gz UNVYWEOMVSYYLW-UHFFFAOYSA-N -1 3 357.407 0.264 10 0 FCAEHM CN(C)c1nc(C(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)cc(=O)[n-]1 ZINC000558920521 491449282 /nfs/dbraw/zinc/44/92/82/491449282.db2.gz QONKIUAXODKFDV-RISCZKNCSA-N -1 3 350.419 0.546 10 0 FCAEHM Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000558984340 491450365 /nfs/dbraw/zinc/45/03/65/491450365.db2.gz GKZRWIQAYUXXLI-ZDUSSCGKSA-N -1 3 360.418 0.812 10 0 FCAEHM Cc1cccc([C@@H](CC(=O)N2CCC[C@H]2c2nc(=N)n(C)[n-]2)NC(N)=O)c1 ZINC000573731447 491451355 /nfs/dbraw/zinc/45/13/55/491451355.db2.gz FOVOJEWDLPJASP-KGLIPLIRSA-N -1 3 371.445 0.999 10 0 FCAEHM COc1ccccc1CCNC(=O)CNC(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000559051679 491453082 /nfs/dbraw/zinc/45/30/82/491453082.db2.gz JHFSOIJMBHUKEQ-UHFFFAOYSA-N -1 3 373.413 0.346 10 0 FCAEHM CN(C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F)[C@@H]1CCOC1 ZINC000566657930 491458712 /nfs/dbraw/zinc/45/87/12/491458712.db2.gz UTNDRUJSRYTMEW-LLVKDONJSA-N -1 3 363.386 0.673 10 0 FCAEHM COCCCOC1CN(C(=O)C[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000566709845 491461808 /nfs/dbraw/zinc/46/18/08/491461808.db2.gz OLSVKUOPPDNQOY-UHFFFAOYSA-N -1 3 360.407 0.368 10 0 FCAEHM CCOC(=O)C1CCC(CC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)CC1 ZINC000567388649 491503383 /nfs/dbraw/zinc/50/33/83/491503383.db2.gz BTSISJOAYKGACT-BPCQOVAHSA-N -1 3 351.403 0.509 10 0 FCAEHM CO[C@@H]1CC[C@H](NC(=O)N2CC[C@H](N(C)Cc3cc(=O)[n-]c(N)n3)C2)C1 ZINC000574533142 491503454 /nfs/dbraw/zinc/50/34/54/491503454.db2.gz CJAGCLVJGZXGGT-FPMFFAJLSA-N -1 3 364.450 0.548 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-][C@H]1CCN(c2cc(C)nn2C)C1=O)C1CC1 ZINC000567497290 491509974 /nfs/dbraw/zinc/50/99/74/491509974.db2.gz OZCUUBCZXKZTQH-STQMWFEESA-N -1 3 356.448 0.178 10 0 FCAEHM O=c1[n-]c(=O)n(Cc2cn(CC3CC3)nn2)cc1I ZINC000574652437 491510935 /nfs/dbraw/zinc/51/09/35/491510935.db2.gz PDZGELCXOPEPPD-UHFFFAOYSA-N -1 3 373.154 0.603 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N(C)Cc1cnn(C)c1C ZINC000574801385 491520626 /nfs/dbraw/zinc/52/06/26/491520626.db2.gz FCJOGMSYJRHLFH-UHFFFAOYSA-N -1 3 355.420 0.270 10 0 FCAEHM CCOC(=O)c1cnc([N-]C(=O)Nc2ccn(CCCOC)n2)n1C ZINC000574974340 491530798 /nfs/dbraw/zinc/53/07/98/491530798.db2.gz UVPJZQSQYTWMJI-UHFFFAOYSA-N -1 3 350.379 1.474 10 0 FCAEHM CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000560872947 491561012 /nfs/dbraw/zinc/56/10/12/491561012.db2.gz ROZBWFALAKXRHI-NEPJUHHUSA-N -1 3 373.500 0.931 10 0 FCAEHM Cc1cc(Cl)ccc1CN1CCN(C(=O)CN2CC(=O)[N-]C2=O)CC1 ZINC000560976518 491568123 /nfs/dbraw/zinc/56/81/23/491568123.db2.gz MFPFQNCIVBENAW-UHFFFAOYSA-N -1 3 364.833 0.844 10 0 FCAEHM CCCn1c(=O)[n-]nc1S(=O)(=O)[C@@H](C)C(=O)Nc1ccnn1C(C)C ZINC000568379490 491572802 /nfs/dbraw/zinc/57/28/02/491572802.db2.gz ACXOZECTOJAFMI-JTQLQIEISA-N -1 3 370.435 0.972 10 0 FCAEHM CCCn1c(=O)[n-]nc1S(=O)(=O)[C@H](C)C(=O)Nc1ccnn1C(C)C ZINC000568379491 491572864 /nfs/dbraw/zinc/57/28/64/491572864.db2.gz ACXOZECTOJAFMI-SNVBAGLBSA-N -1 3 370.435 0.972 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)N1CCO[C@H](C(=O)C2CC2)C1 ZINC000576080160 491580544 /nfs/dbraw/zinc/58/05/44/491580544.db2.gz QRQKMLYPTNLAQS-ZDUSSCGKSA-N -1 3 370.402 0.311 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)CN2C(=O)c3ccccc3C2=O)nc1=N ZINC000576113591 491582376 /nfs/dbraw/zinc/58/23/76/491582376.db2.gz OZLLEJZDQTXXGH-LBPRGKRZSA-N -1 3 354.370 0.187 10 0 FCAEHM COc1ccc([O-])c(C(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c1 ZINC000561790792 491630822 /nfs/dbraw/zinc/63/08/22/491630822.db2.gz ZEJRUQMEYPXBHE-LLVKDONJSA-N -1 3 357.432 0.401 10 0 FCAEHM CN(C)c1nc(C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)cc(=O)[n-]1 ZINC000683408120 493350419 /nfs/dbraw/zinc/35/04/19/493350419.db2.gz JNCMOGOGDUDLDE-LLVKDONJSA-N -1 3 370.413 0.356 10 0 FCAEHM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC000576719455 491639230 /nfs/dbraw/zinc/63/92/30/491639230.db2.gz XXUJURYRFMXOEP-VXGBXAGGSA-N -1 3 367.514 0.834 10 0 FCAEHM CCO[C@@H]1C[C@]([N-]S(=O)(=O)CCN(CC)CC)(C(=O)OC)C1(C)C ZINC000576744052 491641167 /nfs/dbraw/zinc/64/11/67/491641167.db2.gz REGDVDMYKGDGAU-CJNGLKHVSA-N -1 3 364.508 0.994 10 0 FCAEHM O=C(Nc1ccc(Cl)cc1)C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000569312829 491651323 /nfs/dbraw/zinc/65/13/23/491651323.db2.gz YTXMODWBANQVMO-OAHLLOKOSA-N -1 3 350.762 0.479 10 0 FCAEHM Cc1ccc(-n2cnc3c2CCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)C3)cc1 ZINC000578825474 491685222 /nfs/dbraw/zinc/68/52/22/491685222.db2.gz UJADKMMYDUUEHR-ZDUSSCGKSA-N -1 3 353.382 0.664 10 0 FCAEHM COCC[C@H](COC)[N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC ZINC000579532253 491700002 /nfs/dbraw/zinc/70/00/02/491700002.db2.gz UCFXVCCRQGTPKT-SECBINFHSA-N -1 3 367.445 0.873 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N[C@H]3CC4CCC3CC4)cnc21 ZINC000584696007 491710770 /nfs/dbraw/zinc/71/07/70/491710770.db2.gz JGNHJIFBYDGRSE-ZPPKWKGLSA-N -1 3 364.427 0.891 10 0 FCAEHM Cc1cc(CN(C)S(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)no1 ZINC000590001368 491768534 /nfs/dbraw/zinc/76/85/34/491768534.db2.gz MOBGJHXGTIICMX-UHFFFAOYSA-N -1 3 365.371 0.151 10 0 FCAEHM CCc1csc(-n2cc(C(=O)N3CCC[C@@]4(C3)NC(=O)[N-]C4=O)cn2)n1 ZINC000581706259 491783599 /nfs/dbraw/zinc/78/35/99/491783599.db2.gz SFXCRLYPGDHWCV-INIZCTEOSA-N -1 3 374.426 0.705 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-][C@@H]2CCN(c3ccccc3C(N)=O)C2)c1 ZINC000673822116 493364134 /nfs/dbraw/zinc/36/41/34/493364134.db2.gz JIHNJAMMIRYOBJ-GFCCVEGCSA-N -1 3 363.443 0.559 10 0 FCAEHM CC(C)(C)OC(=O)CC1(C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)CCC1 ZINC000582064874 491796468 /nfs/dbraw/zinc/79/64/68/491796468.db2.gz SKQJGXHVULCXJO-LLVKDONJSA-N -1 3 351.403 0.651 10 0 FCAEHM COC(=O)[C@@H](CC(C)(C)C)[N-]S(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC000592073544 491830185 /nfs/dbraw/zinc/83/01/85/491830185.db2.gz GTLAHMIVHDVENR-NWDGAFQWSA-N -1 3 369.505 0.708 10 0 FCAEHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]CCCc2ncn(C)n2)c1 ZINC000592069345 491830261 /nfs/dbraw/zinc/83/02/61/491830261.db2.gz QPYOSZWBNMTXDF-UHFFFAOYSA-N -1 3 356.379 0.652 10 0 FCAEHM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(=O)OC ZINC000592075255 491830596 /nfs/dbraw/zinc/83/05/96/491830596.db2.gz JMJXNNSNFNUYHV-RYUDHWBXSA-N -1 3 364.464 0.826 10 0 FCAEHM COC(=O)c1c(C2CC2)csc1[N-]C(=O)C(=O)N1CN(C)C(=O)[C@H]1C ZINC000592317532 491836258 /nfs/dbraw/zinc/83/62/58/491836258.db2.gz LONJPVOOMCIDGM-MRVPVSSYSA-N -1 3 365.411 0.997 10 0 FCAEHM COC(=O)c1nscc1S(=O)(=O)[N-]Cc1ccoc1C(=O)OC ZINC000594859179 491867244 /nfs/dbraw/zinc/86/72/44/491867244.db2.gz BPLBFXOZSJGIGH-UHFFFAOYSA-N -1 3 360.369 0.788 10 0 FCAEHM O=c1[n-]c(=O)n(CCOC2CCOCC2)cc1I ZINC000600549198 491868341 /nfs/dbraw/zinc/86/83/41/491868341.db2.gz QXEFYPYJUFSPCJ-UHFFFAOYSA-N -1 3 366.155 0.749 10 0 FCAEHM CO[C@H](Cn1cc(I)c(=O)[n-]c1=O)[C@H]1CCOC1 ZINC000594900901 491871802 /nfs/dbraw/zinc/87/18/02/491871802.db2.gz RTAROXRFPITOIH-IONNQARKSA-N -1 3 366.155 0.605 10 0 FCAEHM COC(=O)c1ccc(NC(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)cn1 ZINC000611883389 491880763 /nfs/dbraw/zinc/88/07/63/491880763.db2.gz ZJACYZKLVDKFJG-UHFFFAOYSA-N -1 3 355.310 0.468 10 0 FCAEHM COC(=O)[C@H](C[C@@H]1CCCOC1)NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000600839676 491886639 /nfs/dbraw/zinc/88/66/39/491886639.db2.gz XVUMUVKRAKMNCU-WFASDCNBSA-N -1 3 364.398 0.597 10 0 FCAEHM O=C(CNC(=O)CN1CC(=O)[N-]C1=O)Nc1cc(Cl)ccc1Cl ZINC000600974180 491890989 /nfs/dbraw/zinc/89/09/89/491890989.db2.gz IVJYSTRXCWEUAL-UHFFFAOYSA-N -1 3 359.169 0.600 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-]CC(=O)N2CCc3ccccc32)CC1 ZINC000601332248 491905061 /nfs/dbraw/zinc/90/50/61/491905061.db2.gz HBGWFGXLNJKFHJ-UHFFFAOYSA-N -1 3 352.412 0.448 10 0 FCAEHM CCOC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)C[C@H]1CNCCO1 ZINC000601339750 491905391 /nfs/dbraw/zinc/90/53/91/491905391.db2.gz GVKHHINFKMLBLS-HUUCEWRRSA-N -1 3 356.444 0.069 10 0 FCAEHM COC[C@@](C)([N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C)C(=O)OC ZINC000601369103 491909872 /nfs/dbraw/zinc/90/98/72/491909872.db2.gz IYGFSISYOHROCD-SNVBAGLBSA-N -1 3 359.326 0.295 10 0 FCAEHM CCOC(=O)[C@@H](CCC(C)(C)C)[N-]S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC000601391627 491912317 /nfs/dbraw/zinc/91/23/17/491912317.db2.gz SECCFZDNGJSUGH-UONOGXRCSA-N -1 3 364.508 0.994 10 0 FCAEHM COC(=O)[C@H](Cc1ccncc1)[N-]S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000601417825 491916364 /nfs/dbraw/zinc/91/63/64/491916364.db2.gz DKPLGEOTARBCER-BZPMIXESSA-N -1 3 357.432 0.109 10 0 FCAEHM COC(=O)[C@H](Cc1ccncc1)[N-]S(=O)(=O)CCC[C@H]1CCOC1 ZINC000601420765 491916890 /nfs/dbraw/zinc/91/68/90/491916890.db2.gz WQAIIYLCPLXTPC-GJZGRUSLSA-N -1 3 356.444 0.902 10 0 FCAEHM COC(=O)[C@@H](CC(C)(C)C)[N-]S(=O)(=O)CCCN1CCN(C)CC1 ZINC000601451417 491921117 /nfs/dbraw/zinc/92/11/17/491921117.db2.gz BIKLZDHLHQUNQQ-CQSZACIVSA-N -1 3 363.524 0.521 10 0 FCAEHM COC(=O)[C@@H]([N-]S(=O)(=O)CC1(N(C)C)CC1)c1cccc(OC)c1 ZINC000601465482 491923404 /nfs/dbraw/zinc/92/34/04/491923404.db2.gz VTSPVCQFSGFXKC-AWEZNQCLSA-N -1 3 356.444 0.923 10 0 FCAEHM CC(C)(C)OC(=O)[C@@]1([N-]S(=O)(=O)CCCN2CCCC2)CCOC1 ZINC000601463135 491923528 /nfs/dbraw/zinc/92/35/28/491923528.db2.gz HGORPNSJTVFMRX-MRXNPFEDSA-N -1 3 362.492 0.893 10 0 FCAEHM COC(=O)c1sc2[n-]c(CN3CC[C@@H](F)[C@H](N)C3)nc(=O)c2c1C ZINC000595907744 491960760 /nfs/dbraw/zinc/96/07/60/491960760.db2.gz XJZIGQFVBPKYHQ-RKDXNWHRSA-N -1 3 354.407 0.951 10 0 FCAEHM CCOC(=O)c1nnc([N-]C(=O)c2cccc(S(=O)(=O)NC)c2)s1 ZINC000613084613 491966199 /nfs/dbraw/zinc/96/61/99/491966199.db2.gz ROKQRNQJALUHIG-UHFFFAOYSA-N -1 3 370.412 0.875 10 0 FCAEHM Nc1c(C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cnn1-c1ccccc1 ZINC000614198300 492019322 /nfs/dbraw/zinc/01/93/22/492019322.db2.gz IVGACYPFECGJOC-KRWDZBQOSA-N -1 3 354.370 0.269 10 0 FCAEHM O=C(c1ccc2[nH]c(=O)n(C3CC3)c2c1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000614199801 492019371 /nfs/dbraw/zinc/01/93/71/492019371.db2.gz UZAISIJWAYJINF-GOSISDBHSA-N -1 3 369.381 0.891 10 0 FCAEHM CN1CCN(c2cccc(C(=O)N3CCC(c4n[n-]c(=O)o4)CC3)n2)CC1 ZINC000614472651 492032172 /nfs/dbraw/zinc/03/21/72/492032172.db2.gz CMBOFFJQAAFHAT-UHFFFAOYSA-N -1 3 372.429 0.942 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)Nc1ccc2nccn2c1 ZINC000603883565 492044648 /nfs/dbraw/zinc/04/46/48/492044648.db2.gz FECROLUZANZGAP-UHFFFAOYSA-N -1 3 364.159 0.998 10 0 FCAEHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)[C@@H]3CN(C)C(=O)N3)c2)[n-]1 ZINC000597583341 492049400 /nfs/dbraw/zinc/04/94/00/492049400.db2.gz UUGFTBMCXPIVMZ-LBPRGKRZSA-N -1 3 372.385 0.288 10 0 FCAEHM CCOC(=O)c1nc(-c2cccc(CNC(=O)[C@@H]3CN(C)C(=O)N3)c2)n[n-]1 ZINC000597583341 492049401 /nfs/dbraw/zinc/04/94/01/492049401.db2.gz UUGFTBMCXPIVMZ-LBPRGKRZSA-N -1 3 372.385 0.288 10 0 FCAEHM C[C@]1(C[C@H]2CCCN2C(=O)CN2C(=O)Cc3ccccc32)NC(=O)[N-]C1=O ZINC000614729997 492050801 /nfs/dbraw/zinc/05/08/01/492050801.db2.gz SKLWRFNJYYMLHZ-BFUOFWGJSA-N -1 3 370.409 0.555 10 0 FCAEHM C[C@]1(c2cccc(C(=O)N3CC(CN4CCOCC4)C3)c2)NC(=O)[N-]C1=O ZINC000615145404 492076049 /nfs/dbraw/zinc/07/60/49/492076049.db2.gz WRIMTUXSLWCZNO-LJQANCHMSA-N -1 3 372.425 0.145 10 0 FCAEHM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCOC[C@H]1[C@@H]1CCCN1C ZINC000615267511 492083031 /nfs/dbraw/zinc/08/30/31/492083031.db2.gz YUVYXYFHDHMQCI-HOTGVXAUSA-N -1 3 373.457 0.916 10 0 FCAEHM CC(C)(C)OC(=O)[C@@]1(NC(=O)CNC(=O)c2cccc([O-])c2)CCOC1 ZINC000598167339 492086737 /nfs/dbraw/zinc/08/67/37/492086737.db2.gz MMVAMNMLFNGEBO-GOSISDBHSA-N -1 3 364.398 0.739 10 0 FCAEHM COC(=O)[C@@](C)(CCF)NC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000598285855 492093296 /nfs/dbraw/zinc/09/32/96/492093296.db2.gz PTTKLDCGNOCIBU-IAGOWNOFSA-N -1 3 365.361 0.762 10 0 FCAEHM CS(=O)(=O)CCCS(=O)(=O)[N-]CC(=O)Nc1cccc(F)c1 ZINC000605438676 492095767 /nfs/dbraw/zinc/09/57/67/492095767.db2.gz ONAPFTUFIQJXEO-UHFFFAOYSA-N -1 3 352.409 0.118 10 0 FCAEHM COC(=O)[C@H]1C[C@@H](N(C)C(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)C1 ZINC000598431802 492098075 /nfs/dbraw/zinc/09/80/75/492098075.db2.gz XOMXUOKRZIEQAJ-MXWKQRLJSA-N -1 3 360.457 0.825 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H](C)c1nccc(N)n1 ZINC000615721032 492100527 /nfs/dbraw/zinc/10/05/27/492100527.db2.gz YELJYEFXGRCGGK-UWVGGRQHSA-N -1 3 367.406 0.742 10 0 FCAEHM CC(C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1ccn(CC(=O)OC(C)(C)C)n1 ZINC000598545194 492104021 /nfs/dbraw/zinc/10/40/21/492104021.db2.gz FWGJANFZRCMHGJ-CYBMUJFWSA-N -1 3 374.463 0.737 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CCC[C@H]2c2cn[nH]c2)cn1C ZINC000615905063 492106626 /nfs/dbraw/zinc/10/66/26/492106626.db2.gz UUIHQMZWZIRDNQ-ZDUSSCGKSA-N -1 3 366.447 0.484 10 0 FCAEHM C[C@@H]1CCCN(Cc2cc(=O)n3nc(N)[n-]c3n2)[C@H]1C(=O)OC(C)(C)C ZINC000598623648 492109660 /nfs/dbraw/zinc/10/96/60/492109660.db2.gz ZSBYSUXQJQUICP-ZWNOBZJWSA-N -1 3 362.434 0.772 10 0 FCAEHM C[C@](CO)(NC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1cc(Cl)cc(Cl)c1 ZINC000616080916 492116493 /nfs/dbraw/zinc/11/64/93/492116493.db2.gz PAYOMADHLGOHRW-IINYFYTJSA-N -1 3 360.197 0.915 10 0 FCAEHM COC(=O)C[C@@](C)(NC(=O)CC[C@@H]1NC(=O)[N-]C1=O)c1cccc(F)c1 ZINC000616172581 492119705 /nfs/dbraw/zinc/11/97/05/492119705.db2.gz WRVOWHNEFRFWAA-YVEFUNNKSA-N -1 3 365.361 0.708 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-][C@@H]2CCO[C@H]2c2nccn2C)CCC1 ZINC000598917323 492123814 /nfs/dbraw/zinc/12/38/14/492123814.db2.gz DMCSAOARCCLHRP-VXGBXAGGSA-N -1 3 357.432 0.513 10 0 FCAEHM Cc1cn2cc([N-]S(=O)(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)ccc2n1 ZINC000606751813 492129362 /nfs/dbraw/zinc/12/93/62/492129362.db2.gz FJGGKYJOVUKSNY-UHFFFAOYSA-N -1 3 371.378 0.973 10 0 FCAEHM C[C@](CO)(NC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1ccc(Br)cc1 ZINC000616832830 492144966 /nfs/dbraw/zinc/14/49/66/492144966.db2.gz WNLWQQQYDJSFCC-IINYFYTJSA-N -1 3 370.203 0.371 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]CCOC[C@H]2CCCO2)on1 ZINC000599235868 492146939 /nfs/dbraw/zinc/14/69/39/492146939.db2.gz AZJWUSQPUCCHKJ-LLVKDONJSA-N -1 3 362.404 0.466 10 0 FCAEHM CO[C@@H](CNC(=O)CCn1[n-]c(=O)c2ccccc2c1=O)[C@H]1CCOC1 ZINC000617151523 492157258 /nfs/dbraw/zinc/15/72/58/492157258.db2.gz ZWPCFVXWMMMNLP-WFASDCNBSA-N -1 3 361.398 0.660 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N1CC[C@@H](Cn2ccnn2)C1 ZINC000617267900 492162414 /nfs/dbraw/zinc/16/24/14/492162414.db2.gz YRXPOXULEFOSJO-CYBMUJFWSA-N -1 3 368.397 0.632 10 0 FCAEHM O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000599356460 492164057 /nfs/dbraw/zinc/16/40/57/492164057.db2.gz SSVVKDSUAALCDW-ZIAGYGMSSA-N -1 3 368.397 0.658 10 0 FCAEHM O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000599356460 492164059 /nfs/dbraw/zinc/16/40/59/492164059.db2.gz SSVVKDSUAALCDW-ZIAGYGMSSA-N -1 3 368.397 0.658 10 0 FCAEHM COC(=O)[C@@H](Cc1cccc(OC)c1)[N-]S(=O)(=O)N1CCCOCC1 ZINC000599402785 492168590 /nfs/dbraw/zinc/16/85/90/492168590.db2.gz GADSVCLJDOCRRP-OAHLLOKOSA-N -1 3 372.443 0.336 10 0 FCAEHM CS(=O)(=O)[C@@H]1CN(C(=O)Cc2cncc([O-])c2)C[C@H]1C(F)(F)F ZINC000617452636 492169300 /nfs/dbraw/zinc/16/93/00/492169300.db2.gz BIFZZBFMCBQZRI-GHMZBOCLSA-N -1 3 352.334 0.764 10 0 FCAEHM COC(=O)[C@]1([N-]S(=O)(=O)CCCS(C)(=O)=O)CCCC(C)(C)C1 ZINC000599413754 492170312 /nfs/dbraw/zinc/17/03/12/492170312.db2.gz UADMVIVDMYUIBB-AWEZNQCLSA-N -1 3 369.505 0.853 10 0 FCAEHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1COCCN1C ZINC000599454512 492174967 /nfs/dbraw/zinc/17/49/67/492174967.db2.gz PHOVJPIZFPCUIY-NSHDSACASA-N -1 3 362.835 0.736 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@@H]1CCS(=O)(=O)[C@@H]1C ZINC000599458581 492175823 /nfs/dbraw/zinc/17/58/23/492175823.db2.gz TYFYMAFQKBHDPV-NXEZZACHSA-N -1 3 365.429 0.537 10 0 FCAEHM COC(=O)c1ncccc1S(=O)(=O)[N-][C@H]1CCN(C2CCC2)C1=O ZINC000599524300 492183354 /nfs/dbraw/zinc/18/33/54/492183354.db2.gz SAVLRKKHHPXUGE-NSHDSACASA-N -1 3 353.400 0.300 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCN(C3CCC3)C2=O)s1 ZINC000599525042 492183779 /nfs/dbraw/zinc/18/37/79/492183779.db2.gz IIQJXZNTGSEDGW-JTQLQIEISA-N -1 3 358.441 0.966 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N[C@H](C)c2cscn2)cn1C ZINC000617828769 492194029 /nfs/dbraw/zinc/19/40/29/492194029.db2.gz UHSNFVQSNKVQGF-SECBINFHSA-N -1 3 357.461 0.731 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N[C@@H](C)c2cscn2)cn1C ZINC000617828770 492194136 /nfs/dbraw/zinc/19/41/36/492194136.db2.gz UHSNFVQSNKVQGF-VIFPVBQESA-N -1 3 357.461 0.731 10 0 FCAEHM COc1ncc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)c(C)c1Br ZINC000617894678 492204240 /nfs/dbraw/zinc/20/42/40/492204240.db2.gz NYLIBRMCQYPKQT-LURJTMIESA-N -1 3 357.164 0.698 10 0 FCAEHM C[C@]1(c2cccc(C(=O)NCCO[C@@H]3CC3(F)F)c2)NC(=O)[N-]C1=O ZINC000618131636 492211513 /nfs/dbraw/zinc/21/15/13/492211513.db2.gz ISJCMLUUTFIBAK-IAQYHMDHSA-N -1 3 353.325 0.895 10 0 FCAEHM COC(=O)c1sc2ccccc2c1CNC(=O)CN1CC(=O)[N-]C1=O ZINC000609550345 492213211 /nfs/dbraw/zinc/21/32/11/492213211.db2.gz UDUODFZQOJMEOF-UHFFFAOYSA-N -1 3 361.379 0.856 10 0 FCAEHM C[C@@]12COC[C@H]1CN(C(=O)CNC(=O)c1c[n-]c3ccccc3c1=O)C2 ZINC000618721718 492236618 /nfs/dbraw/zinc/23/66/18/492236618.db2.gz HBCVAVXKUYUYNN-CWTRNNRKSA-N -1 3 355.394 0.753 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N(C)Cc1cn(C)nn1 ZINC000618806419 492238263 /nfs/dbraw/zinc/23/82/63/492238263.db2.gz YWZMLRDHZROFPG-JTQLQIEISA-N -1 3 355.395 0.280 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)NCC(O)(C2CC2)C2CC2)cn1C ZINC000619027469 492247688 /nfs/dbraw/zinc/24/76/88/492247688.db2.gz AEXACPCEJRQUAE-UHFFFAOYSA-N -1 3 370.475 0.064 10 0 FCAEHM Cc1cncc(CCNC(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)n1 ZINC000619209147 492253063 /nfs/dbraw/zinc/25/30/63/492253063.db2.gz QOGGAYYXONKHLY-NSHDSACASA-N -1 3 354.457 0.872 10 0 FCAEHM Cc1cncc(CCNC(=O)C[N-]S(=O)(=O)c2ccccc2F)n1 ZINC000619210624 492253370 /nfs/dbraw/zinc/25/33/70/492253370.db2.gz IBFPZPMPDRASAK-UHFFFAOYSA-N -1 3 352.391 0.561 10 0 FCAEHM CCOC(=O)c1ccc(C[N-]S(=O)(=O)c2cc(C(=O)NC)n(C)c2)o1 ZINC000610590748 492253517 /nfs/dbraw/zinc/25/35/17/492253517.db2.gz RRVMCSUEBHPJPX-UHFFFAOYSA-N -1 3 369.399 0.633 10 0 FCAEHM COC(=O)c1ccc(F)c2c1CN(C(=O)c1[nH]c(=O)[n-]c(=O)c1N)CC2 ZINC000600247819 492253960 /nfs/dbraw/zinc/25/39/60/492253960.db2.gz JIEQQPFJXGOYJW-UHFFFAOYSA-N -1 3 362.317 0.594 10 0 FCAEHM CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3c[n-]c4ccccc4c3=O)C[C@H]21 ZINC000619224397 492254721 /nfs/dbraw/zinc/25/47/21/492254721.db2.gz BTHDESBQJXLXOX-CFVMTHIKSA-N -1 3 362.407 0.412 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](C(=O)NC(C)C)C2)c(C)o1 ZINC000620414199 492308122 /nfs/dbraw/zinc/30/81/22/492308122.db2.gz FDPKZVAKSXSIFD-LBPRGKRZSA-N -1 3 371.459 0.873 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1C[C@H](C)[C@](C)(CO)C1 ZINC000620442729 492310093 /nfs/dbraw/zinc/31/00/93/492310093.db2.gz NGMKHDFYXZVNNQ-MKBNYLNASA-N -1 3 358.435 0.969 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N(C)[C@@H]1CCCCN(C)C1=O ZINC000634143016 492321767 /nfs/dbraw/zinc/32/17/67/492321767.db2.gz JVZUEHOVVZLMMQ-VXGBXAGGSA-N -1 3 373.500 0.884 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2CCCCN(C)C2=O)cn1 ZINC000634142029 492321840 /nfs/dbraw/zinc/32/18/40/492321840.db2.gz AYTJIKUUVCKVFK-GFCCVEGCSA-N -1 3 354.432 0.073 10 0 FCAEHM Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)o1 ZINC000647591437 492329050 /nfs/dbraw/zinc/32/90/50/492329050.db2.gz YHKDJFXWVUQFGT-UONOGXRCSA-N -1 3 365.430 0.848 10 0 FCAEHM CSc1nc(C)c(CCC(=O)NC[C@@H]2CN3CCN2CCC3)c(=O)[n-]1 ZINC000647679353 492344958 /nfs/dbraw/zinc/34/49/58/492344958.db2.gz ZQLFTQVDSOXBPK-CYBMUJFWSA-N -1 3 365.503 0.651 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@H](c2ccccc2)[C@@H](C)O)cn1C ZINC000620986400 492349292 /nfs/dbraw/zinc/34/92/92/492349292.db2.gz DSCYFQCVTIQQPP-BZNIZROVSA-N -1 3 366.443 0.245 10 0 FCAEHM CC1(c2nnc(-c3cccc(F)c3)o2)CN(C(=O)CN2CC(=O)[N-]C2=O)C1 ZINC000621232003 492361831 /nfs/dbraw/zinc/36/18/31/492361831.db2.gz WDJXCAIBYOFDLC-UHFFFAOYSA-N -1 3 373.344 0.527 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC(CN2CCOCC2)C1 ZINC000647806064 492364070 /nfs/dbraw/zinc/36/40/70/492364070.db2.gz PYGURCQQMQHPQR-LBPRGKRZSA-N -1 3 373.500 0.206 10 0 FCAEHM CN(Cc1cc(=O)n2nc(N)[n-]c2n1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000621266147 492367547 /nfs/dbraw/zinc/36/75/47/492367547.db2.gz AIBJCALEROUOQG-CYBMUJFWSA-N -1 3 353.386 0.067 10 0 FCAEHM Cc1c2ccccc2c(=O)oc1C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000655039029 492394639 /nfs/dbraw/zinc/39/46/39/492394639.db2.gz WHYXBFFCQPRDPI-SFHVURJKSA-N -1 3 355.350 0.916 10 0 FCAEHM CC(C(=O)N1CCSC[C@H](C(=O)[O-])C1)S(=O)(=O)C1CCOCC1 ZINC000621605788 492395995 /nfs/dbraw/zinc/39/59/95/492395995.db2.gz JGXQYNKFIIHNEE-GHMZBOCLSA-N -1 3 365.473 0.245 10 0 FCAEHM CC(C(=O)N1CCSC[C@@H](C(=O)[O-])C1)S(=O)(=O)C1CCOCC1 ZINC000621605789 492396230 /nfs/dbraw/zinc/39/62/30/492396230.db2.gz JGXQYNKFIIHNEE-MNOVXSKESA-N -1 3 365.473 0.245 10 0 FCAEHM Cn1ncnc1CCCNC(=O)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000627902434 492416560 /nfs/dbraw/zinc/41/65/60/492416560.db2.gz USJKDRQKIBKZCV-UHFFFAOYSA-N -1 3 368.397 0.135 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N(C)CC(=O)N1CCCC1 ZINC000643086530 492418867 /nfs/dbraw/zinc/41/88/67/492418867.db2.gz DYIZVTNIVARLLN-LBPRGKRZSA-N -1 3 371.434 0.573 10 0 FCAEHM CN1CCC2(CC1)CN(C(=O)c1ccc([N-]S(C)(=O)=O)nc1)CCO2 ZINC000627965830 492428333 /nfs/dbraw/zinc/42/83/33/492428333.db2.gz FBRVCDAAAAURAU-UHFFFAOYSA-N -1 3 368.459 0.390 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)N1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000622080740 492451623 /nfs/dbraw/zinc/45/16/23/492451623.db2.gz OQLAQACNOQNIPK-YNEHKIRRSA-N -1 3 374.484 0.415 10 0 FCAEHM CO[C@@](C)(CO)C[N-]S(=O)(=O)c1ccc([C@@H](C)NC(C)=O)s1 ZINC000655622967 492464995 /nfs/dbraw/zinc/46/49/95/492464995.db2.gz YMOVSJKGMZQICP-NOZJJQNGSA-N -1 3 350.462 0.621 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCO[C@](C)(C(F)F)C1 ZINC000622187645 492465212 /nfs/dbraw/zinc/46/52/12/492465212.db2.gz ZDYGJMZJNJAGEZ-ZDUSSCGKSA-N -1 3 367.374 0.452 10 0 FCAEHM COCC1(C[N-]S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)CC1 ZINC000655639407 492469389 /nfs/dbraw/zinc/46/93/89/492469389.db2.gz LZEKNZDVXPZVQF-UHFFFAOYSA-N -1 3 351.421 0.934 10 0 FCAEHM O=C(NC[C@@]1(CO)COCCN1Cc1ccccc1)c1cc(=O)[n-]cn1 ZINC000628133505 492473229 /nfs/dbraw/zinc/47/32/29/492473229.db2.gz HGPNQXDFOVVRSA-GOSISDBHSA-N -1 3 358.398 0.176 10 0 FCAEHM CCn1nncc1CNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000628266157 492490658 /nfs/dbraw/zinc/49/06/58/492490658.db2.gz OPTIUOHEHBJWRP-JTQLQIEISA-N -1 3 355.395 0.420 10 0 FCAEHM C[C@H](NC(=O)C(=O)NCC1(N(C)C)CCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655989176 492505761 /nfs/dbraw/zinc/50/57/61/492505761.db2.gz YHRWMUKXMBNYMQ-RWMBFGLXSA-N -1 3 353.463 0.839 10 0 FCAEHM C[C@@H]1C(=O)N(C)CN1C(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000649160354 492506977 /nfs/dbraw/zinc/50/69/77/492506977.db2.gz JFZDJMXPMIQNPQ-SECBINFHSA-N -1 3 361.370 0.280 10 0 FCAEHM COc1ccc2c(c1)[n-]cc(C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C)c2=O ZINC000649234965 492513976 /nfs/dbraw/zinc/51/39/76/492513976.db2.gz WZCUIZWPVZMTCI-LBPRGKRZSA-N -1 3 372.425 0.729 10 0 FCAEHM CC(C)[C@@H](CNC(=O)C(=O)N1CCCC[C@@H](N2CCCC2)C1)C(=O)[O-] ZINC000656011379 492515875 /nfs/dbraw/zinc/51/58/75/492515875.db2.gz ZNWPAIPAVMZVHC-HUUCEWRRSA-N -1 3 353.463 0.936 10 0 FCAEHM C[C@H](NC(=O)C(=O)N1CCC[C@H](N(C)C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656015047 492517485 /nfs/dbraw/zinc/51/74/85/492517485.db2.gz QGQHEGFSJNVYBI-XDQVBPFNSA-N -1 3 353.463 0.791 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC[C@@H](O)[C@@H]1CCCO1 ZINC000628594035 492527608 /nfs/dbraw/zinc/52/76/08/492527608.db2.gz YWPDSRTVTOXSHG-UHTWSYAYSA-N -1 3 360.407 0.149 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@@H]1c2ccccc2CN(C)C1=O)[C@H]1CCOC1 ZINC000623240613 492532592 /nfs/dbraw/zinc/53/25/92/492532592.db2.gz PVPWKHLAAHPYJJ-NUEKZKHPSA-N -1 3 368.455 0.671 10 0 FCAEHM C[C@@]1(c2cccc(C(=O)N3C[C@@H]4CCC[C@]4(CO)C3)c2)NC(=O)[N-]C1=O ZINC000629089909 492577036 /nfs/dbraw/zinc/57/70/36/492577036.db2.gz DPARRIMWVVKPTH-ZOCIIQOWSA-N -1 3 357.410 0.976 10 0 FCAEHM C[C@]1(c2cccc(C(=O)N3C[C@@H]4CCC[C@]4(CO)C3)c2)NC(=O)[N-]C1=O ZINC000629089908 492577070 /nfs/dbraw/zinc/57/70/70/492577070.db2.gz DPARRIMWVVKPTH-GDIGMMSISA-N -1 3 357.410 0.976 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000629139561 492580035 /nfs/dbraw/zinc/58/00/35/492580035.db2.gz NOWPGCSKZUZVNR-WPRPVWTQSA-N -1 3 358.192 0.395 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@H]1CO[C@H](C2CC2)C1 ZINC000629139556 492580132 /nfs/dbraw/zinc/58/01/32/492580132.db2.gz NOWPGCSKZUZVNR-SCZZXKLOSA-N -1 3 358.192 0.395 10 0 FCAEHM CCO[C@@H](CS(=O)(=O)[N-]c1cccc(NC(=O)C(N)=O)c1)C1CC1 ZINC000629301718 492604924 /nfs/dbraw/zinc/60/49/24/492604924.db2.gz WOMFEQXHYGETDM-ZDUSSCGKSA-N -1 3 355.416 0.667 10 0 FCAEHM CC1(F)CN(S(=O)(=O)c2ccc(S(=O)(=O)[N-]CC(F)F)cc2)C1 ZINC000656366193 492615120 /nfs/dbraw/zinc/61/51/20/492615120.db2.gz FPOCWLKXAOGTEU-UHFFFAOYSA-N -1 3 372.390 0.963 10 0 FCAEHM O=S(=O)([N-]CC(F)F)c1cccc(S(=O)(=O)N2CC[C@@H](F)C2)c1 ZINC000656370442 492615632 /nfs/dbraw/zinc/61/56/32/492615632.db2.gz BCFLWAFGSSFIAV-SECBINFHSA-N -1 3 372.390 0.963 10 0 FCAEHM COC1(CS(=O)(=O)[N-]c2cccc(-n3cnnn3)c2C)CCOCC1 ZINC000650157195 492618394 /nfs/dbraw/zinc/61/83/94/492618394.db2.gz GDDGZIFLVAGCFV-UHFFFAOYSA-N -1 3 367.431 0.908 10 0 FCAEHM NC(=O)C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CCO1 ZINC000629395487 492619830 /nfs/dbraw/zinc/61/98/30/492619830.db2.gz QQYGCNCSRWUDPQ-OCCSQVGLSA-N -1 3 361.398 0.100 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]c1ccn(C2CCN(C)CC2)n1)[C@H]1CCOC1 ZINC000656628213 492638929 /nfs/dbraw/zinc/63/89/29/492638929.db2.gz LRZRPVMMQDYVIH-DZGCQCFKSA-N -1 3 372.491 0.943 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CC[C@@H](c3ccc(O)cc3)C2)c1 ZINC000629670825 492662551 /nfs/dbraw/zinc/66/25/51/492662551.db2.gz VPLWZNISOKASKO-CYBMUJFWSA-N -1 3 364.427 0.420 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@@H](CO)c1cc(F)ccc1F)[C@@H]1CCOC1 ZINC000656909889 492667002 /nfs/dbraw/zinc/66/70/02/492667002.db2.gz IUUBJDGCZDQZCZ-WKPIXPDZSA-N -1 3 365.398 0.969 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-][C@H](C(N)=O)c2ccccc2)CCOCC1 ZINC000624818811 492687911 /nfs/dbraw/zinc/68/79/11/492687911.db2.gz YKHGMJQSRLWYAS-AWEZNQCLSA-N -1 3 356.444 0.718 10 0 FCAEHM COC[C@]1(C)CN(C(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)CCO1 ZINC000629901718 492698553 /nfs/dbraw/zinc/69/85/53/492698553.db2.gz SNMOQODNLKZHOM-ZWKOTPCHSA-N -1 3 361.398 0.619 10 0 FCAEHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCNC1=O ZINC000657032185 492700953 /nfs/dbraw/zinc/70/09/53/492700953.db2.gz SDDQNQJLSACBMH-NSHDSACASA-N -1 3 362.835 0.922 10 0 FCAEHM CO[C@H](C[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1)[C@@H]1CCOC1 ZINC000657044434 492702449 /nfs/dbraw/zinc/70/24/49/492702449.db2.gz AMGMPCDUUXFILZ-DGCLKSJQSA-N -1 3 362.473 0.714 10 0 FCAEHM O=S(=O)([N-]Cc1cnc(C(F)(F)F)nc1)c1cnn2c1OCCC2 ZINC000657050102 492703937 /nfs/dbraw/zinc/70/39/37/492703937.db2.gz GACXYXZDOQIUKV-UHFFFAOYSA-N -1 3 363.321 0.953 10 0 FCAEHM COC[C@H]([N-]S(=O)(=O)c1cnc(NC(C)=O)s1)C1CCOCC1 ZINC000657061795 492706729 /nfs/dbraw/zinc/70/67/29/492706729.db2.gz VPUASMKMWXIBMI-NSHDSACASA-N -1 3 363.461 0.821 10 0 FCAEHM CCO[C@@H](CS(=O)(=O)[N-][C@H]1CCN(c2cnn(C)c2)C1=O)C1CC1 ZINC000624982434 492706893 /nfs/dbraw/zinc/70/68/93/492706893.db2.gz YAQKKXCTUCPJQL-KBPBESRZSA-N -1 3 356.448 0.260 10 0 FCAEHM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000629946663 492707816 /nfs/dbraw/zinc/70/78/16/492707816.db2.gz HNBQTTPHVHTFMC-UHFFFAOYSA-N -1 3 364.328 0.572 10 0 FCAEHM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000629946663 492707820 /nfs/dbraw/zinc/70/78/20/492707820.db2.gz HNBQTTPHVHTFMC-UHFFFAOYSA-N -1 3 364.328 0.572 10 0 FCAEHM CC(C)OCCS(=O)(=O)[N-]CC(=O)Nc1nc(-c2ccccc2)no1 ZINC000629957373 492708413 /nfs/dbraw/zinc/70/84/13/492708413.db2.gz QPARSITWQGECME-UHFFFAOYSA-N -1 3 368.415 0.441 10 0 FCAEHM COc1ccc(OCCCS(=O)(=O)[N-]Cc2nc(C(N)=O)co2)cc1 ZINC000657071423 492709429 /nfs/dbraw/zinc/70/94/29/492709429.db2.gz RCDMLUPYVUWJSL-UHFFFAOYSA-N -1 3 369.399 0.671 10 0 FCAEHM CO[C@@H]1CCC[C@H]([C@H](CO)[N-]S(=O)(=O)c2cnn3c2OCCC3)C1 ZINC000657078713 492710332 /nfs/dbraw/zinc/71/03/32/492710332.db2.gz ZUDWNBZIHUEIFR-XQQFMLRXSA-N -1 3 359.448 0.510 10 0 FCAEHM O=S(=O)([N-]C[C@]1(OCCO)CCOC1)c1ccc(F)cc1Cl ZINC000657084448 492710889 /nfs/dbraw/zinc/71/08/89/492710889.db2.gz AQZIBKGZOJBOLH-CYBMUJFWSA-N -1 3 353.799 0.925 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]Cc1nnnn1C1CC1)c1ccc(F)cc1 ZINC000625025090 492711868 /nfs/dbraw/zinc/71/18/68/492711868.db2.gz LQENOHGZHKWEPH-CYBMUJFWSA-N -1 3 355.395 0.954 10 0 FCAEHM O=S(=O)([N-]C[C@@]1(OCCO)CCOC1)c1cnccc1C(F)(F)F ZINC000657087351 492712729 /nfs/dbraw/zinc/71/27/29/492712729.db2.gz RIMLTBRCSRKPHS-LBPRGKRZSA-N -1 3 370.349 0.547 10 0 FCAEHM CCO[C@H](CS(=O)(=O)[N-]c1cccc(NS(N)(=O)=O)c1)C1CC1 ZINC000625029066 492713011 /nfs/dbraw/zinc/71/30/11/492713011.db2.gz SLKQHNCVABRXTG-CYBMUJFWSA-N -1 3 363.461 0.859 10 0 FCAEHM CNC(=O)[C@@H]([N-]S(=O)(=O)c1cccnc1OCC(F)F)C(C)C ZINC000625076732 492720430 /nfs/dbraw/zinc/72/04/30/492720430.db2.gz DDJAZCUIWBFPQR-NSHDSACASA-N -1 3 351.375 0.774 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-][C@](CC)(C(N)=O)C(C)C)CCOCC1 ZINC000625118202 492726968 /nfs/dbraw/zinc/72/69/68/492726968.db2.gz APVBLZYFDISSQW-HNNXBMFYSA-N -1 3 350.481 0.782 10 0 FCAEHM Cn1ccnc1CN1CCC[C@@H]([N-]S(=O)(=O)[C@H]2COC(C)(C)C2)C1=O ZINC000625120740 492727162 /nfs/dbraw/zinc/72/71/62/492727162.db2.gz HBQMZSYUPWWUQG-CHWSQXEVSA-N -1 3 370.475 0.398 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@H](C)C(O)[C@@H](C)C1 ZINC000657135539 492730361 /nfs/dbraw/zinc/73/03/61/492730361.db2.gz XBMSPTLFTIATFY-QWRGUYRKSA-N -1 3 362.473 0.232 10 0 FCAEHM O=C(NCC[C@@]1(O)CCOC1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000651278183 492733256 /nfs/dbraw/zinc/73/32/56/492733256.db2.gz ORPRZDCHBVQEJO-GOSISDBHSA-N -1 3 363.414 0.401 10 0 FCAEHM CC1(C)C[C@H](S(=O)(=O)N2CCC[C@@H]2C[C@@]2(C)NC(=O)[N-]C2=O)CO1 ZINC000625211230 492739704 /nfs/dbraw/zinc/73/97/04/492739704.db2.gz DSUOTVVIHHCGTP-JRPNMDOOSA-N -1 3 359.448 0.336 10 0 FCAEHM C[C@@H]1CCN(S(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)C[C@H](C)O1 ZINC000657190658 492739845 /nfs/dbraw/zinc/73/98/45/492739845.db2.gz XRQDCMHOIUKGEC-ZJUUUORDSA-N -1 3 368.415 0.222 10 0 FCAEHM CO[C@@H](C[N-]S(=O)(=O)c1cnnn1-c1ccccc1)[C@@H]1CCOC1 ZINC000625272679 492749835 /nfs/dbraw/zinc/74/98/35/492749835.db2.gz HHKHIFPLWZOMSR-OCCSQVGLSA-N -1 3 352.416 0.597 10 0 FCAEHM CCS(=O)(=O)C1(C[N-]S(=O)(=O)c2cnnn2-c2ccccc2)CC1 ZINC000625286658 492751580 /nfs/dbraw/zinc/75/15/80/492751580.db2.gz ONMKYWREAOGZKR-UHFFFAOYSA-N -1 3 370.456 0.513 10 0 FCAEHM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cnnn2-c2ccccc2)CS1(=O)=O ZINC000625284178 492751641 /nfs/dbraw/zinc/75/16/41/492751641.db2.gz UJLYCHFPHZPGDP-RYUDHWBXSA-N -1 3 370.456 0.511 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC2(OCCO)CCC(F)(F)CC2)cn1C ZINC000625408824 492776619 /nfs/dbraw/zinc/77/66/19/492776619.db2.gz AKMFZPSXZXPYRM-UHFFFAOYSA-N -1 3 367.418 0.964 10 0 FCAEHM CN(C)S(=O)(=O)N1CCCN(C(=O)c2cc(F)cc3[n-]nnc32)CC1 ZINC000644637977 492794031 /nfs/dbraw/zinc/79/40/31/492794031.db2.gz MZMLJEUKQFDPMF-UHFFFAOYSA-N -1 3 370.410 0.051 10 0 FCAEHM CN(C)S(=O)(=O)N1CCCN(C(=O)c2cc(F)cc3nn[n-]c32)CC1 ZINC000644637977 492794033 /nfs/dbraw/zinc/79/40/33/492794033.db2.gz MZMLJEUKQFDPMF-UHFFFAOYSA-N -1 3 370.410 0.051 10 0 FCAEHM CN(C)S(=O)(=O)N1CCCN(C(=O)c2cc(F)cc3n[n-]nc32)CC1 ZINC000644637977 492794037 /nfs/dbraw/zinc/79/40/37/492794037.db2.gz MZMLJEUKQFDPMF-UHFFFAOYSA-N -1 3 370.410 0.051 10 0 FCAEHM COCC1(CS(=O)(=O)[N-]Cc2ncccc2S(C)(=O)=O)CCC1 ZINC000651676974 492804942 /nfs/dbraw/zinc/80/49/42/492804942.db2.gz TVSPVHPXQHSJCE-UHFFFAOYSA-N -1 3 362.473 0.721 10 0 FCAEHM COc1cc(C)c(C)cc1NC(=O)C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000657868101 492805712 /nfs/dbraw/zinc/80/57/12/492805712.db2.gz RUQKCMAFCVTFDA-LBPRGKRZSA-N -1 3 360.370 0.013 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC[C@@H]1CCN(C)C(=O)C1 ZINC000644788069 492807878 /nfs/dbraw/zinc/80/78/78/492807878.db2.gz XEKBPARESALLIA-NWDGAFQWSA-N -1 3 371.434 0.477 10 0 FCAEHM COC1(CS(=O)(=O)[N-]CC2(S(C)(=O)=O)CCCC2)CCOCC1 ZINC000651703634 492809615 /nfs/dbraw/zinc/80/96/15/492809615.db2.gz FWAGBHLFESELTI-UHFFFAOYSA-N -1 3 369.505 0.459 10 0 FCAEHM C[C@H](O)[C@H]([N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1)c1ccccc1F ZINC000651794447 492825469 /nfs/dbraw/zinc/82/54/69/492825469.db2.gz ACWOPNXSEOJGSS-XPTSAGLGSA-N -1 3 355.391 0.664 10 0 FCAEHM CCC[C@@H](C)[C@@H](CO)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000651795569 492825550 /nfs/dbraw/zinc/82/55/50/492825550.db2.gz GICAWIHMGVINJD-ZYHUDNBSSA-N -1 3 350.462 0.561 10 0 FCAEHM CC(C)NC(=O)C[N-]S(=O)(=O)Cc1ncsc1Br ZINC000631678572 492834605 /nfs/dbraw/zinc/83/46/05/492834605.db2.gz DURFBNBPPAAGFQ-UHFFFAOYSA-N -1 3 356.267 0.850 10 0 FCAEHM C[C@@H]1C[C@H](S(=O)(=O)[N-]CC(=O)Nc2ccc3c(c2)OCCO3)CCO1 ZINC000625617876 492839836 /nfs/dbraw/zinc/83/98/36/492839836.db2.gz PTUBUSMYDBAWKH-DGCLKSJQSA-N -1 3 370.427 0.883 10 0 FCAEHM CO[C@@H](CNC(=O)C(=O)[N-]c1nccn1-c1ccccc1)[C@@H]1CCOC1 ZINC000658184380 492847551 /nfs/dbraw/zinc/84/75/51/492847551.db2.gz USSJLASYWNCHDN-HIFRSBDPSA-N -1 3 358.398 0.979 10 0 FCAEHM CCN(Cc1ccccc1)C(=O)C[N-]S(=O)(=O)[C@H]1CC(=O)N(CC)C1 ZINC000631794826 492853988 /nfs/dbraw/zinc/85/39/88/492853988.db2.gz YOGKQWLSVOTZSV-HNNXBMFYSA-N -1 3 367.471 0.575 10 0 FCAEHM CN1CCN(c2ncccc2C[N-]S(=O)(=O)c2c[nH]c(=O)s2)CC1 ZINC000631803912 492856405 /nfs/dbraw/zinc/85/64/05/492856405.db2.gz ONZZYBHPFJCCEL-UHFFFAOYSA-N -1 3 369.472 0.474 10 0 FCAEHM Nc1nc2c(c(NCC[N-]S(=O)(=O)c3cccs3)n1)CCCC2 ZINC000645195420 492877514 /nfs/dbraw/zinc/87/75/14/492877514.db2.gz MVYXHIGDBOYYHV-UHFFFAOYSA-N -1 3 353.473 0.811 10 0 FCAEHM O=C1[C@@H]([N-]S(=O)(=O)C[C@H]2CNCCO2)CCN1c1ccccc1Cl ZINC000631919832 492885217 /nfs/dbraw/zinc/88/52/17/492885217.db2.gz ZQGDZAMZNGFIMS-YPMHNXCESA-N -1 3 373.862 0.353 10 0 FCAEHM O=C1[C@@H]([N-]S(=O)(=O)C[C@@H]2CNCCO2)CCCN1c1ccccc1 ZINC000631920306 492885267 /nfs/dbraw/zinc/88/52/67/492885267.db2.gz XCGULNINOQUYJG-GJZGRUSLSA-N -1 3 353.444 0.090 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]CCOC[C@@H]1CCOC1 ZINC000631935504 492891590 /nfs/dbraw/zinc/89/15/90/492891590.db2.gz VVKXHKPZBRJPEY-SECBINFHSA-N -1 3 357.354 0.770 10 0 FCAEHM CN1CCO[C@H](CS(=O)(=O)[N-][C@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000631953395 492897904 /nfs/dbraw/zinc/89/79/04/492897904.db2.gz JJFWVGOHLAWRQF-JSGCOSHPSA-N -1 3 371.434 0.181 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@H](C(N)=O)c2ccccc2)coc1C(=O)N(C)C ZINC000645448133 492906948 /nfs/dbraw/zinc/90/69/48/492906948.db2.gz BQRXTKBHEXGLLQ-ZDUSSCGKSA-N -1 3 365.411 0.795 10 0 FCAEHM CC[C@@H](CO)[N-]S(=O)(=O)c1c(C)nn2cc(Br)cnc12 ZINC000631999205 492907338 /nfs/dbraw/zinc/90/73/38/492907338.db2.gz XEPWAVYMKYPKGN-VIFPVBQESA-N -1 3 363.237 0.849 10 0 FCAEHM C[C@@H](C[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C)CN1CCOCC1 ZINC000631997700 492907609 /nfs/dbraw/zinc/90/76/09/492907609.db2.gz GRUDJZWCDMMJGP-JTQLQIEISA-N -1 3 370.397 0.686 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CCN2CCOCC2(C)C)coc1C(=O)N(C)C ZINC000645517560 492919107 /nfs/dbraw/zinc/91/91/07/492919107.db2.gz QCYSWCPJYVJJPK-UHFFFAOYSA-N -1 3 373.475 0.679 10 0 FCAEHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)C[C@@H]2CCC2(F)F)C(=O)N1c1cnn(C)c1 ZINC000632048538 492920048 /nfs/dbraw/zinc/92/00/48/492920048.db2.gz NEOGYMNHTSSQSJ-JFGNBEQYSA-N -1 3 362.402 0.879 10 0 FCAEHM CN(C(=O)C[N-]S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1)C1CCCCC1 ZINC000632067505 492922722 /nfs/dbraw/zinc/92/27/22/492922722.db2.gz JPIUPBLDUWTGFX-CQSZACIVSA-N -1 3 357.476 0.460 10 0 FCAEHM C[C@H]1C[C@@H]([N-]S(=O)(=O)CCOCC2CCC2)C(=O)N1c1cnn(C)c1 ZINC000645573829 492930146 /nfs/dbraw/zinc/93/01/46/492930146.db2.gz ZBAHKAZZFYYIGH-SWLSCSKDSA-N -1 3 370.475 0.650 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CC(C)(C)S(C)(=O)=O)coc1C(=O)N(C)C ZINC000645581202 492931809 /nfs/dbraw/zinc/93/18/09/492931809.db2.gz HETIDZFHFOISCG-UHFFFAOYSA-N -1 3 366.461 0.391 10 0 FCAEHM O=C1C[C@H](S(=O)(=O)[N-][C@@H]2CCN(C3CCCCC3)C2=O)CN1C1CC1 ZINC000632112434 492932328 /nfs/dbraw/zinc/93/23/28/492932328.db2.gz BUMRANCKAPSZHU-LSDHHAIUSA-N -1 3 369.487 0.603 10 0 FCAEHM CCNC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2coc(C(=O)N(C)C)c2C)C1 ZINC000645605098 492939434 /nfs/dbraw/zinc/93/94/34/492939434.db2.gz ULDAJRHLVSPGPI-LLVKDONJSA-N -1 3 372.447 0.372 10 0 FCAEHM CNC(=O)[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000645635259 492951742 /nfs/dbraw/zinc/95/17/42/492951742.db2.gz IXLKKYFICJXYRC-WDEREUQCSA-N -1 3 357.432 0.483 10 0 FCAEHM COCCN1CC[C@@H]([N-]S(=O)(=O)c2coc(C(=O)N(C)C)c2C)C1 ZINC000645667883 492957558 /nfs/dbraw/zinc/95/75/58/492957558.db2.gz RWEMBARTBXBJOL-GFCCVEGCSA-N -1 3 359.448 0.289 10 0 FCAEHM CCN1C[C@@H](S(=O)(=O)[N-][C@H]2CCCN(C3CCCCC3)C2=O)CC1=O ZINC000632261790 492959476 /nfs/dbraw/zinc/95/94/76/492959476.db2.gz ZFXJBQWNZALONG-GJZGRUSLSA-N -1 3 371.503 0.850 10 0 FCAEHM CN1CCO[C@@H](CS(=O)(=O)[N-][C@H]2CCCN(C3CCCCC3)C2=O)C1 ZINC000632261331 492959717 /nfs/dbraw/zinc/95/97/17/492959717.db2.gz LNJPICYTKVWNCM-CVEARBPZSA-N -1 3 373.519 0.560 10 0 FCAEHM C[C@@H]1OCC[C@]1(O)C[N-]S(=O)(=O)Cc1ncsc1Br ZINC000632289893 492967111 /nfs/dbraw/zinc/96/71/11/492967111.db2.gz ZVMQFWPVDKBNIJ-XVKPBYJWSA-N -1 3 371.278 0.865 10 0 FCAEHM CN1CCO[C@@H](CS(=O)(=O)[N-]Cc2noc(-c3cccc(F)c3)n2)C1 ZINC000632296632 492967851 /nfs/dbraw/zinc/96/78/51/492967851.db2.gz MTZQHYBCYBMGST-CYBMUJFWSA-N -1 3 370.406 0.626 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]CC(=O)NCC(F)F ZINC000632299422 492968405 /nfs/dbraw/zinc/96/84/05/492968405.db2.gz OSTFUKLPRSQFQS-UHFFFAOYSA-N -1 3 350.269 0.099 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CCN2C[C@H]3CC[C@@H](C2)O3)coc1C(=O)N(C)C ZINC000645746584 492969480 /nfs/dbraw/zinc/96/94/80/492969480.db2.gz NPLWGRVOWKXDKH-BETUJISGSA-N -1 3 371.459 0.431 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@H]1C[C@@H]2CCCCN2C1=O)C1CCOCC1 ZINC000645752141 492970149 /nfs/dbraw/zinc/97/01/49/492970149.db2.gz IAMYWUWQZKXETE-SOUVJXGZSA-N -1 3 360.476 0.501 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@@H]1CCN(C(C)(C)C)C1=O)C1CCOCC1 ZINC000645782202 492974664 /nfs/dbraw/zinc/97/46/64/492974664.db2.gz DOMVQQIKAJKABN-ZIAGYGMSSA-N -1 3 362.492 0.747 10 0 FCAEHM CCNC(=O)[C@@H]([N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C)C(C)C ZINC000632365919 492983849 /nfs/dbraw/zinc/98/38/49/492983849.db2.gz PVABCDPFCUJYOE-VIFPVBQESA-N -1 3 356.370 0.878 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCC(C2(O)CC2)CC1 ZINC000652669346 492983384 /nfs/dbraw/zinc/98/33/84/492983384.db2.gz CYMTVUPPSZQKBS-UHFFFAOYSA-N -1 3 372.219 0.475 10 0 FCAEHM CO[C@@H]1COCC[C@H]1C[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000632406783 492991744 /nfs/dbraw/zinc/99/17/44/492991744.db2.gz VMKXFDYPYDSODO-WCBMZHEXSA-N -1 3 357.354 0.769 10 0 FCAEHM CCN1C[C@H](S(=O)(=O)[N-]Cc2nn(C)cc2Br)CC1=O ZINC000632409711 492992551 /nfs/dbraw/zinc/99/25/51/492992551.db2.gz HTJUFMLKPIKSNA-MRVPVSSYSA-N -1 3 365.253 0.223 10 0 FCAEHM O=C1C[C@H](S(=O)(=O)[N-]Cc2nccc(C(F)(F)F)n2)CN1C1CC1 ZINC000632455518 493001259 /nfs/dbraw/zinc/00/12/59/493001259.db2.gz FUUKXBAXEPCBTN-VIFPVBQESA-N -1 3 364.349 0.678 10 0 FCAEHM CN1CCO[C@H](CS(=O)(=O)[N-][C@H]2CCN(c3ccc(F)cc3)C2=O)C1 ZINC000632457466 493001479 /nfs/dbraw/zinc/00/14/79/493001479.db2.gz GLHAWSFSKMVJNX-GJZGRUSLSA-N -1 3 371.434 0.181 10 0 FCAEHM COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@@H]1CCNC(=O)CC1 ZINC000632473431 493004837 /nfs/dbraw/zinc/00/48/37/493004837.db2.gz DIGNAYWBEJXZDZ-LBPRGKRZSA-N -1 3 360.407 0.798 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CC[C@H](N3CCC3)[C@H](F)C2)cn1 ZINC000626680847 493007955 /nfs/dbraw/zinc/00/79/55/493007955.db2.gz WFZXYGBSUWGHMS-OLZOCXBDSA-N -1 3 356.423 0.711 10 0 FCAEHM CCn1nnc(C)c1C[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000632495666 493012389 /nfs/dbraw/zinc/01/23/89/493012389.db2.gz BQBMDIVZOWIPAJ-UHFFFAOYSA-N -1 3 352.342 0.837 10 0 FCAEHM O=C1C[C@@H](S(=O)(=O)[N-][C@H]2CCc3ccccc3NC2=O)CN1C1CC1 ZINC000632536892 493023657 /nfs/dbraw/zinc/02/36/57/493023657.db2.gz VXIXFJDKXYHEPV-HIFRSBDPSA-N -1 3 363.439 0.623 10 0 FCAEHM CO[C@@H](C[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C)[C@@H]1CCOC1 ZINC000632546570 493026508 /nfs/dbraw/zinc/02/65/08/493026508.db2.gz UUBUKSNCMVBJEH-SCZZXKLOSA-N -1 3 357.354 0.769 10 0 FCAEHM CCN1C[C@@H](CNC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)CC1=O ZINC000652835836 493026961 /nfs/dbraw/zinc/02/69/61/493026961.db2.gz KMNBCOKCBUKWJK-NWDGAFQWSA-N -1 3 371.434 0.477 10 0 FCAEHM O=C(N[C@@H](CO)CN1CCCC1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000646223163 493030268 /nfs/dbraw/zinc/03/02/68/493030268.db2.gz CJQYYQBDUWVNSL-ZBFHGGJFSA-N -1 3 361.442 0.570 10 0 FCAEHM O=c1[nH]cc(S(=O)(=O)[N-][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)s1 ZINC000632569079 493030902 /nfs/dbraw/zinc/03/09/02/493030902.db2.gz ZAHCJWNLMIZRLR-GHMZBOCLSA-N -1 3 359.473 0.770 10 0 FCAEHM COc1ccc([O-])c(S(=O)(=O)N2CCC(N3CC[C@@H](O)C3)CC2)c1 ZINC000632572791 493032422 /nfs/dbraw/zinc/03/24/22/493032422.db2.gz GVTIXMAWSRAWOS-CYBMUJFWSA-N -1 3 356.444 0.621 10 0 FCAEHM C[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)CCc2ccccc21 ZINC000652884956 493033025 /nfs/dbraw/zinc/03/30/25/493033025.db2.gz SAVZINQAGJBTFS-CYBMUJFWSA-N -1 3 362.455 0.887 10 0 FCAEHM Cc1c(C(=O)N(C)C)occ1S(=O)(=O)[N-][C@H](C)[C@H](O)C(F)(F)F ZINC000632676347 493063247 /nfs/dbraw/zinc/06/32/47/493063247.db2.gz IYRFHSLNNPRTNR-XCBNKYQSSA-N -1 3 358.338 0.880 10 0 FCAEHM C[C@H]1CC(=O)N(C)c2ccc(NC(=O)N3CCN4C(=O)[N-]C(=O)[C@H]4C3)cc21 ZINC000627064259 493085901 /nfs/dbraw/zinc/08/59/01/493085901.db2.gz QDYNPUVPPMDSOW-IINYFYTJSA-N -1 3 371.397 0.925 10 0 FCAEHM O=C(CCc1nnn[n-]1)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000633571163 493167049 /nfs/dbraw/zinc/16/70/49/493167049.db2.gz QSIXVODRMMCLKE-JKSUJKDBSA-N -1 3 356.430 0.634 10 0 FCAEHM O=C(CCc1nn[n-]n1)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000633571163 493167051 /nfs/dbraw/zinc/16/70/51/493167051.db2.gz QSIXVODRMMCLKE-JKSUJKDBSA-N -1 3 356.430 0.634 10 0 FCAEHM O=C(NCCO[C@@H]1CC1(F)F)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000666513134 493196229 /nfs/dbraw/zinc/19/62/29/493196229.db2.gz MYJHPYIRYUKHOB-NWDGAFQWSA-N -1 3 368.340 0.983 10 0 FCAEHM O=C(NCCO[C@H]1CC1(F)F)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1 ZINC000666513123 493196314 /nfs/dbraw/zinc/19/63/14/493196314.db2.gz MYJHPYIRYUKHOB-NEPJUHHUSA-N -1 3 368.340 0.983 10 0 FCAEHM O=C(NC[C@@H]1CCC(=O)N1)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000666531461 493200109 /nfs/dbraw/zinc/20/01/09/493200109.db2.gz FXEJXFKQHURFCG-NSHDSACASA-N -1 3 370.406 0.667 10 0 FCAEHM Cn1cc(C[C@@H]2CCC[C@@H]2NC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)cn1 ZINC000666708684 493219510 /nfs/dbraw/zinc/21/95/10/493219510.db2.gz GTXWXXOROFENNF-MELADBBJSA-N -1 3 360.418 0.077 10 0 FCAEHM Cn1cc(C[C@@H]2CCC[C@H]2NC(=O)NCc2nc(CN)cc(=O)[n-]2)cn1 ZINC000659606989 493219969 /nfs/dbraw/zinc/21/99/69/493219969.db2.gz WJEGQWYPMWWFPO-GXTWGEPZSA-N -1 3 359.434 0.585 10 0 FCAEHM Cn1cc(C[C@H]2CCC[C@@H]2NC(=O)NCc2nc(CN)cc(=O)[n-]2)cn1 ZINC000659606991 493219983 /nfs/dbraw/zinc/21/99/83/493219983.db2.gz WJEGQWYPMWWFPO-OCCSQVGLSA-N -1 3 359.434 0.585 10 0 FCAEHM C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659648810 493229597 /nfs/dbraw/zinc/22/95/97/493229597.db2.gz CJKMSHDBHGBIER-HZSPNIEDSA-N -1 3 353.463 0.840 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H]2CN(C)C(=O)N2)cc1OC ZINC000666866360 493231980 /nfs/dbraw/zinc/23/19/80/493231980.db2.gz NLQLDQKIYMLPNZ-NSHDSACASA-N -1 3 356.404 0.419 10 0 FCAEHM NCc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCC(c3ccco3)CC2)n1 ZINC000659748392 493284627 /nfs/dbraw/zinc/28/46/27/493284627.db2.gz VDCZSEBIEGZBKT-UHFFFAOYSA-N -1 3 359.386 0.256 10 0 FCAEHM CC(C)O[C@]1(CS(=O)(=O)[N-][C@H](CO)C[C@@H](O)C(C)(C)C)CCOC1 ZINC000659960499 493308036 /nfs/dbraw/zinc/30/80/36/493308036.db2.gz OQJMIIIPGKQVCF-SQWLQELKSA-N -1 3 367.508 0.648 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCCC1CS(=O)(=O)C1 ZINC000682561621 493309042 /nfs/dbraw/zinc/30/90/42/493309042.db2.gz BLMHSBPAPOYDOR-UHFFFAOYSA-N -1 3 364.427 0.716 10 0 FCAEHM COC[C@H]([N-]S(=O)(=O)C[C@]1(OC(C)C)CCOC1)C1CCOCC1 ZINC000659988220 493312744 /nfs/dbraw/zinc/31/27/44/493312744.db2.gz SWAILKGMEBCRMN-HOTGVXAUSA-N -1 3 365.492 0.932 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@H]2COC[C@H]2C1 ZINC000660080207 493322732 /nfs/dbraw/zinc/32/27/32/493322732.db2.gz OTUUWPFPPYULSC-NWDGAFQWSA-N -1 3 360.457 0.252 10 0 FCAEHM CCCN(C)CC(C)(C)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000660107593 493325639 /nfs/dbraw/zinc/32/56/39/493325639.db2.gz PCCMMYYSUQTAJH-UHFFFAOYSA-N -1 3 369.447 0.835 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)NC[C@@H]3CCOC3(C)C)cnc21 ZINC000660113139 493326257 /nfs/dbraw/zinc/32/62/57/493326257.db2.gz IYCQXQKJGDVNQW-VIFPVBQESA-N -1 3 368.415 0.128 10 0 FCAEHM COc1ccc2c(ccn2CC(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000684077152 493391993 /nfs/dbraw/zinc/39/19/93/493391993.db2.gz FSAIMZFITNJCKP-SFHVURJKSA-N -1 3 356.382 0.851 10 0 FCAEHM CC(C)(NC(=O)Nc1ccccc1)C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000684080207 493392791 /nfs/dbraw/zinc/39/27/91/493392791.db2.gz UZQKNYLSHYAXES-GOSISDBHSA-N -1 3 373.413 0.787 10 0 FCAEHM CC1=C[C@@H](C)CN(S(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)C1 ZINC000684662553 493427124 /nfs/dbraw/zinc/42/71/24/493427124.db2.gz CBXGFKARHNWYMH-SECBINFHSA-N -1 3 350.400 0.621 10 0 FCAEHM Cn1nnnc1CC[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000684915469 493438527 /nfs/dbraw/zinc/43/85/27/493438527.db2.gz NXBWVUDXUCFZQZ-UHFFFAOYSA-N -1 3 364.200 0.633 10 0 FCAEHM O=C(NC1CC1)c1nn[n-]c1NC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000662173236 493494336 /nfs/dbraw/zinc/49/43/36/493494336.db2.gz ALAJOJSHOIKYCW-JTQLQIEISA-N -1 3 360.418 0.817 10 0 FCAEHM O=C(NC1CC1)c1[n-]nnc1NC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000662173236 493494339 /nfs/dbraw/zinc/49/43/39/493494339.db2.gz ALAJOJSHOIKYCW-JTQLQIEISA-N -1 3 360.418 0.817 10 0 FCAEHM O=C(NC1CC1)c1n[n-]nc1NC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000662173236 493494341 /nfs/dbraw/zinc/49/43/41/493494341.db2.gz ALAJOJSHOIKYCW-JTQLQIEISA-N -1 3 360.418 0.817 10 0 FCAEHM CC(=O)N1c2ccccc2C[C@H]1C(=O)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000662171969 493494418 /nfs/dbraw/zinc/49/44/18/493494418.db2.gz QIYZSMLGTTZYDT-ZDUSSCGKSA-N -1 3 354.370 0.613 10 0 FCAEHM CC(=O)N1c2ccccc2C[C@H]1C(=O)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000662171969 493494421 /nfs/dbraw/zinc/49/44/21/493494421.db2.gz QIYZSMLGTTZYDT-ZDUSSCGKSA-N -1 3 354.370 0.613 10 0 FCAEHM CC(=O)N1c2ccccc2C[C@H]1C(=O)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000662171969 493494422 /nfs/dbraw/zinc/49/44/22/493494422.db2.gz QIYZSMLGTTZYDT-ZDUSSCGKSA-N -1 3 354.370 0.613 10 0 FCAEHM CN(CCN1CCN([C@H]2CCN(CC(=O)[O-])C2=O)CC1)Cc1ccccc1 ZINC000662207547 493496760 /nfs/dbraw/zinc/49/67/60/493496760.db2.gz YWJOXZBBGRVBIO-SFHVURJKSA-N -1 3 374.485 0.422 10 0 FCAEHM O=C([O-])[C@]12COC[C@H]1CN(Cc1ccc(S(=O)(=O)NC3CC3)cc1)C2 ZINC000662219342 493497387 /nfs/dbraw/zinc/49/73/87/493497387.db2.gz SVCPLIMUUALVRN-CXAGYDPISA-N -1 3 366.439 0.660 10 0 FCAEHM C[C@@H]1CCCC[C@@H]1OCCNC(=O)CN1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662219968 493497487 /nfs/dbraw/zinc/49/74/87/493497487.db2.gz PSKRBODEEKHYMU-ZXFNITATSA-N -1 3 354.447 0.731 10 0 FCAEHM COc1ccc(CNC(=O)CN2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1OC ZINC000662220831 493497677 /nfs/dbraw/zinc/49/76/77/493497677.db2.gz XNGDHGLRKTUEBI-FZKQIMNGSA-N -1 3 364.398 0.353 10 0 FCAEHM O=C([O-])[C@]12COC[C@H]1CN(CC(=O)NCCCOc1ccccc1F)C2 ZINC000662219921 493497791 /nfs/dbraw/zinc/49/77/91/493497791.db2.gz OLNUWEYDSINQKD-FZKQIMNGSA-N -1 3 366.389 0.744 10 0 FCAEHM CN(C1CC1)S(=O)(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000669635330 493516735 /nfs/dbraw/zinc/51/67/35/493516735.db2.gz JQLBNFFNKYLUPB-UHFFFAOYSA-N -1 3 369.415 0.172 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)N1C[C@H](O)CC(F)(F)C1 ZINC000685831570 493518395 /nfs/dbraw/zinc/51/83/95/493518395.db2.gz JOJQRSXGJQLHGU-SECBINFHSA-N -1 3 352.334 0.333 10 0 FCAEHM NCc1cc(=O)[n-]c(CNC(=O)c2cccc(OCC(F)(F)F)n2)n1 ZINC000662753954 493538517 /nfs/dbraw/zinc/53/85/17/493538517.db2.gz ZECIMOFJHWFIIT-UHFFFAOYSA-N -1 3 357.292 0.907 10 0 FCAEHM CC(C)(C(=O)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1)n1cc(N)cn1 ZINC000662796526 493542369 /nfs/dbraw/zinc/54/23/69/493542369.db2.gz NIHAKOABPJNTDF-ZDUSSCGKSA-N -1 3 356.386 0.590 10 0 FCAEHM CCN1CC[C@H](NC(=O)NCc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)C1=O ZINC000670119180 493546890 /nfs/dbraw/zinc/54/68/90/493546890.db2.gz HHFVIDQZZYIVNY-SCLBCKFNSA-N -1 3 373.413 0.161 10 0 FCAEHM CN(C1CCOCC1)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000676352736 493547304 /nfs/dbraw/zinc/54/73/04/493547304.db2.gz IHKWZVDNCKDDIQ-UHFFFAOYSA-N -1 3 366.436 0.997 10 0 FCAEHM COC[C@@H](O)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000676534592 493556749 /nfs/dbraw/zinc/55/67/49/493556749.db2.gz YGSWKEWIGSMWJD-AWEZNQCLSA-N -1 3 365.411 0.041 10 0 FCAEHM C[C@H](C(=O)N1CCc2nc[n-]c(=O)c2C1)N1C(=O)c2ccccc2C1=O ZINC000676782584 493571085 /nfs/dbraw/zinc/57/10/85/493571085.db2.gz ITNWGAONMSUBFS-SNVBAGLBSA-N -1 3 352.350 0.752 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CC[C@@H](O)C(F)(F)C2)s1 ZINC000663536009 493594509 /nfs/dbraw/zinc/59/45/09/493594509.db2.gz FKPXCYZYTKGUTK-SECBINFHSA-N -1 3 369.415 0.568 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CC[C@@H]3COC[C@@H]3C2)s1 ZINC000663537177 493594999 /nfs/dbraw/zinc/59/49/99/493594999.db2.gz WJKHMVBDELKEPY-MNOVXSKESA-N -1 3 359.473 0.834 10 0 FCAEHM O=C([O-])[C@@H](CNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12)C1CCC1 ZINC000663628669 493606519 /nfs/dbraw/zinc/60/65/19/493606519.db2.gz GZFIGGDEXWZXOQ-KKUMJFAQSA-N -1 3 351.447 0.737 10 0 FCAEHM C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663632993 493607525 /nfs/dbraw/zinc/60/75/25/493607525.db2.gz BQNYITORAQUQDC-VNHYZAJKSA-N -1 3 353.463 0.983 10 0 FCAEHM O=C([O-])[C@H](CNC(=O)C(=O)N1CCN(c2ccncc2)CC1)C1CCC1 ZINC000663633705 493607787 /nfs/dbraw/zinc/60/77/87/493607787.db2.gz RTRLFZBZWUHKNJ-OAHLLOKOSA-N -1 3 360.414 0.347 10 0 FCAEHM C[C@]1(c2ccc(CNC(=O)N[C@H]3C[C@@H](O)C34CCC4)cc2)NC(=O)[N-]C1=O ZINC000663920606 493625715 /nfs/dbraw/zinc/62/57/15/493625715.db2.gz WQLBTQHRRQVHHJ-PMUMKWKESA-N -1 3 372.425 0.844 10 0 FCAEHM C[C@]1(c2ccc(CNC(=O)N3C[C@H]4COC[C@]4(C)C3)cc2)NC(=O)[N-]C1=O ZINC000663918817 493625743 /nfs/dbraw/zinc/62/57/43/493625743.db2.gz FLTJOTWRAPRCJT-ZOCIIQOWSA-N -1 3 372.425 0.919 10 0 FCAEHM C[C@]1(c2ccc(CNC(=O)N3CC[C@@H]4COC[C@H]4C3)cc2)NC(=O)[N-]C1=O ZINC000663918827 493625956 /nfs/dbraw/zinc/62/59/56/493625956.db2.gz FRVFMXVYTIDYHA-PJIJBLCYSA-N -1 3 372.425 0.919 10 0 FCAEHM Cc1noc(CCNC(=O)Nc2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)n1 ZINC000678338302 493641308 /nfs/dbraw/zinc/64/13/08/493641308.db2.gz YPAUHTZSSLQCHD-LBPRGKRZSA-N -1 3 358.358 0.493 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N(C)CCNC(=O)N(C)C ZINC000678351770 493641562 /nfs/dbraw/zinc/64/15/62/493641562.db2.gz QMTDKJYODFQETG-NSHDSACASA-N -1 3 374.438 0.222 10 0 FCAEHM O=C(CC[C@@H]1NC(=O)[N-]C1=O)N[C@H](CO)c1cccc(Br)c1 ZINC000678402420 493643423 /nfs/dbraw/zinc/64/34/23/493643423.db2.gz WVXOLVDOOPKJPO-WDEREUQCSA-N -1 3 370.203 0.587 10 0 FCAEHM C[C@H]1CC[C@@H](NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)CS1(=O)=O ZINC000664367991 493656026 /nfs/dbraw/zinc/65/60/26/493656026.db2.gz CJNGYTNBKHVANW-WCBMZHEXSA-N -1 3 351.384 0.657 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)N1CC[C@@H]2COC[C@H]2C1 ZINC000664501041 493663652 /nfs/dbraw/zinc/66/36/52/493663652.db2.gz FMWKSKDZOGCHGT-VXGBXAGGSA-N -1 3 359.473 0.704 10 0 FCAEHM O=C(c1nnn(C2CC2)c1C(F)(F)F)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000679311522 493674793 /nfs/dbraw/zinc/67/47/93/493674793.db2.gz DIASQXMOFKRBEC-ZETCQYMHSA-N -1 3 358.280 0.008 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC1(CCO)CCOCC1 ZINC000679401876 493678232 /nfs/dbraw/zinc/67/82/32/493678232.db2.gz BPCJBYNDFPEAMF-LBPRGKRZSA-N -1 3 374.434 0.540 10 0 FCAEHM Cc1nc(-c2noc(CC[N-]S(=O)(=O)c3cn(C)c(C)n3)n2)[nH]c1C ZINC000665093286 493697980 /nfs/dbraw/zinc/69/79/80/493697980.db2.gz DDFSFYMMRCQBRI-UHFFFAOYSA-N -1 3 365.419 0.639 10 0 FCAEHM C[C@@H](Cn1ncc2ccccc21)C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000671837604 493708218 /nfs/dbraw/zinc/70/82/18/493708218.db2.gz YCMUVUYKMTXOPO-KPZWWZAWSA-N -1 3 355.398 0.873 10 0 FCAEHM CN1CCC[C@H](N2CCN(C(=O)NC[C@@H](C(=O)[O-])C3CCC3)CC2)C1 ZINC000665325974 493709923 /nfs/dbraw/zinc/70/99/23/493709923.db2.gz SAEUUXMQOPWCSM-JKSUJKDBSA-N -1 3 352.479 0.909 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCCCC[C@@H]1CCO ZINC000671898146 493712078 /nfs/dbraw/zinc/71/20/78/493712078.db2.gz FWLBYEMXLXBCCK-SNVBAGLBSA-N -1 3 374.235 0.865 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000680281328 493712884 /nfs/dbraw/zinc/71/28/84/493712884.db2.gz GZRVNAYDIBTZPX-VIFPVBQESA-N -1 3 370.435 0.943 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCOc3ncccc3C2)c(C)o1 ZINC000680838691 493731705 /nfs/dbraw/zinc/73/17/05/493731705.db2.gz BYXNIOBIKCXAJE-UHFFFAOYSA-N -1 3 351.384 0.926 10 0 FCAEHM CCc1ncc(S(=O)(=O)[N-][C@@H]2CCN(C3CCOCC3)C2=O)s1 ZINC000680858164 493732535 /nfs/dbraw/zinc/73/25/35/493732535.db2.gz PVFKHLCAQHHLJP-LLVKDONJSA-N -1 3 359.473 0.764 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](C(F)(F)F)OC[C@@H]2C)cn1 ZINC000672185021 493741430 /nfs/dbraw/zinc/74/14/30/493741430.db2.gz GAVSTZNHARHTGO-WCBMZHEXSA-N -1 3 367.349 0.782 10 0 FCAEHM COC[C@](C)(CO)NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000681074201 493743391 /nfs/dbraw/zinc/74/33/91/493743391.db2.gz RYLJHZMZPYGNCA-NSHDSACASA-N -1 3 356.853 0.193 10 0 FCAEHM O=C(NCc1cccc(OC2CC2)c1F)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000666230714 493762741 /nfs/dbraw/zinc/76/27/41/493762741.db2.gz XYRLRWYXVCDOFA-GFCCVEGCSA-N -1 3 362.361 0.813 10 0 FCAEHM O=S(=O)([N-]CCC1CS(=O)(=O)C1)c1cccnc1C(F)(F)F ZINC000672409171 493762924 /nfs/dbraw/zinc/76/29/24/493762924.db2.gz RMLJXWGQCOAQOH-UHFFFAOYSA-N -1 3 358.363 0.813 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CCN1CCOC(C)(C)C1 ZINC000188103868 674358602 /nfs/dbraw/zinc/35/86/02/674358602.db2.gz OPOQKHUOPOZPJP-UHFFFAOYSA-N -1 3 350.872 0.771 10 0 FCAEHM O=C(c1c[n-]c2c(Cl)cccc2c1=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000412155130 534650290 /nfs/dbraw/zinc/65/02/90/534650290.db2.gz DGFATMPOBBRRDT-NSHDSACASA-N -1 3 360.757 0.558 10 0 FCAEHM CCOC(=O)[C@@H](C[N-]S(=O)(=O)CCS(C)(=O)=O)c1ccccc1 ZINC000266263088 527782889 /nfs/dbraw/zinc/78/28/89/527782889.db2.gz ZVWRDQIGBADASC-ZDUSSCGKSA-N -1 3 363.457 0.297 10 0 FCAEHM CCCc1nc(=NC(=O)C(=O)N2CC[C@]3(C2)CCCN(C)C3)s[n-]1 ZINC000411566119 528684751 /nfs/dbraw/zinc/68/47/51/528684751.db2.gz WDPYBFJLABTNMY-MRXNPFEDSA-N -1 3 351.476 0.795 10 0 FCAEHM CC(C)n1ncnc1CNC(=O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000412298695 528692983 /nfs/dbraw/zinc/69/29/83/528692983.db2.gz MEOWGYOWDGLEIN-UHFFFAOYSA-N -1 3 369.422 0.983 10 0 FCAEHM CCC(=O)N1CCN(C(=O)C(=O)[N-]c2scc(C)c2C(=O)OC)C1 ZINC000425812451 535306696 /nfs/dbraw/zinc/30/66/96/535306696.db2.gz OBURJYDONRNXOX-UHFFFAOYSA-N -1 3 353.400 0.820 10 0 FCAEHM CN(C)S(=O)(=O)c1ccc(CN2CCC[C@]3(C2)NC(=O)[N-]C3=O)s1 ZINC000425473078 536111340 /nfs/dbraw/zinc/11/13/40/536111340.db2.gz JBCCJTYYYBKBJK-CQSZACIVSA-N -1 3 372.472 0.172 10 0 FCAEHM CNC(=O)[C@@]1(C)CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000437002688 536371212 /nfs/dbraw/zinc/37/12/12/536371212.db2.gz RUYHCOPWRQPUKL-LIRRHRJNSA-N -1 3 359.426 0.981 10 0 FCAEHM CN(CC(=O)N1CCNCC1)C(=O)c1ccc(Br)c([O-])c1 ZINC000234284894 546511330 /nfs/dbraw/zinc/51/13/30/546511330.db2.gz QFCDUALZRYELJZ-UHFFFAOYSA-N -1 3 356.220 0.659 10 0 FCAEHM CC[C@H](C)C[C@@H]([N-]S(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)OC ZINC000592066189 546606399 /nfs/dbraw/zinc/60/63/99/546606399.db2.gz LTSPNLVHRGIOOQ-CMPLNLGQSA-N -1 3 355.478 0.461 10 0 FCAEHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]CCCc1ncn(C)n1 ZINC000592068880 546606773 /nfs/dbraw/zinc/60/67/73/546606773.db2.gz KVJSAOHQTRXBKW-UHFFFAOYSA-N -1 3 356.404 0.668 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-][C@@H](C(=O)OC(C)(C)C)c2ccnn2C)c1 ZINC000592104951 546607200 /nfs/dbraw/zinc/60/72/00/546607200.db2.gz BKROMZXCTBOBLT-GFCCVEGCSA-N -1 3 355.420 0.515 10 0 FCAEHM COC(=O)c1sc2[n-]c(CN3CN(C)C(=O)[C@@H]3C)nc(=O)c2c1C ZINC000592191002 546611985 /nfs/dbraw/zinc/61/19/85/546611985.db2.gz UMDQKXTUNSFBNJ-QMMMGPOBSA-N -1 3 350.400 0.700 10 0 FCAEHM CCOC(=O)CC1(S(=O)(=O)[N-]Cc2ncc3c(n2)CCOC3)CC1 ZINC000593626673 546723434 /nfs/dbraw/zinc/72/34/34/546723434.db2.gz DKDCTZJDMJTNLX-UHFFFAOYSA-N -1 3 355.416 0.455 10 0 FCAEHM COC(=O)CC[C@H]([N-]S(=O)(=O)[C@H]1CCO[C@@H]1C)C(=O)OC(C)(C)C ZINC000593614549 546726909 /nfs/dbraw/zinc/72/69/09/546726909.db2.gz CYYKKANMIDYCIE-WOPDTQHZSA-N -1 3 365.448 0.747 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)c1nnc2n1CCC2 ZINC000594384705 546786912 /nfs/dbraw/zinc/78/69/12/546786912.db2.gz XQRFTXCAVWTPCE-SNVBAGLBSA-N -1 3 370.456 0.667 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@](C)(CO)OC)c(Cl)c1 ZINC000594485057 546797530 /nfs/dbraw/zinc/79/75/30/546797530.db2.gz PNQXDUOTRXORTK-CYBMUJFWSA-N -1 3 351.808 0.802 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]C[C@@](C)(O)C(=O)OC(C)(C)C)[C@@H]1CCOC1 ZINC000594767323 546821342 /nfs/dbraw/zinc/82/13/42/546821342.db2.gz DEZRNUQIDRZCQD-LALPHHSUSA-N -1 3 367.464 0.050 10 0 FCAEHM COC(=O)[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)CC1(C(=O)OC)CCCCC1 ZINC000594822952 546836520 /nfs/dbraw/zinc/83/65/20/546836520.db2.gz OLGILJXZMGWDFE-NWDGAFQWSA-N -1 3 363.432 0.360 10 0 FCAEHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H]2CCO[C@H]2C(=O)OC)c1 ZINC000594825132 546837267 /nfs/dbraw/zinc/83/72/67/546837267.db2.gz YGHJJKSUVSGXLY-NWDGAFQWSA-N -1 3 361.347 0.221 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)C1C[C@@H]2COC[C@H](C1)C2=O ZINC000532614347 546884899 /nfs/dbraw/zinc/88/48/99/546884899.db2.gz BQXAMLNCTBSARW-YOGCLGLASA-N -1 3 372.468 0.384 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NC[C@@H]1C[C@H](F)CN1Cc1cccs1 ZINC000548024457 546993552 /nfs/dbraw/zinc/99/35/52/546993552.db2.gz FMNWIKIVYOADKE-QWRGUYRKSA-N -1 3 354.407 0.329 10 0 FCAEHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC[C@H]2CCOC2)cc1F ZINC000542250139 547029248 /nfs/dbraw/zinc/02/92/48/547029248.db2.gz SBTBIFOYVGBRMU-JTQLQIEISA-N -1 3 351.421 0.934 10 0 FCAEHM CNC(=O)CC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000548919489 547065406 /nfs/dbraw/zinc/06/54/06/547065406.db2.gz MPLNWFWHSLDQOH-UHFFFAOYSA-N -1 3 351.787 0.010 10 0 FCAEHM Cc1c(S(=O)(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)c2ccccc2n1C ZINC000551215793 547135265 /nfs/dbraw/zinc/13/52/65/547135265.db2.gz XBEMJLLAFLGQDW-CYBMUJFWSA-N -1 3 362.411 0.411 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]C[C@@H](O)COCC2CC2)c(Br)n1 ZINC000866839066 663137145 /nfs/dbraw/zinc/13/71/45/663137145.db2.gz UHWLBFBESRHOSG-SECBINFHSA-N -1 3 368.253 0.248 10 0 FCAEHM Cc1cc(C)[n-]c(=NNC(=O)NCc2ccc(S(N)(=O)=O)cc2)n1 ZINC000042954440 665723397 /nfs/dbraw/zinc/72/33/97/665723397.db2.gz TVQDWJPVRSMKMJ-UHFFFAOYSA-N -1 3 350.404 0.567 10 0 FCAEHM CCOC(=O)[C@@H](F)[C@@H]1CCN(C(=O)CNC(=O)c2ccc([O-])cc2)C1 ZINC000898537678 665882810 /nfs/dbraw/zinc/88/28/10/665882810.db2.gz SOVRUYFXXSMJAJ-DOMZBBRYSA-N -1 3 352.362 0.872 10 0 FCAEHM COCCCN(C)CC[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1 ZINC000866872160 663473016 /nfs/dbraw/zinc/47/30/16/663473016.db2.gz HJVUAYIECCJTFK-JOCHJYFZSA-N -1 3 363.505 0.946 10 0 FCAEHM CCN1CCO[C@@H](C[N-]S(=O)(=O)c2ccco2)[C@@H]1c1nccn1C ZINC000888078689 663529960 /nfs/dbraw/zinc/52/99/60/663529960.db2.gz MDKAHKWJPVEUED-GXTWGEPZSA-N -1 3 354.432 0.753 10 0 FCAEHM CN1CC[C@H]([N-]S(=O)(=O)c2cnn(C)c2I)C1 ZINC000866580752 672283181 /nfs/dbraw/zinc/28/31/81/672283181.db2.gz QJPHBASCTXURQJ-ZETCQYMHSA-N -1 3 370.216 0.007 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@H]([C@@H](C)O)C2)ccc1F ZINC000840567696 663797332 /nfs/dbraw/zinc/79/73/32/663797332.db2.gz UPFVMUCPEASLKR-RISCZKNCSA-N -1 3 374.434 0.734 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)Cn2cncn2)ccc1F ZINC000097682252 674586623 /nfs/dbraw/zinc/58/66/23/674586623.db2.gz MNCKMRUVUAWWGR-NSHDSACASA-N -1 3 369.422 0.922 10 0 FCAEHM COC(C)(C)C[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866883220 664204745 /nfs/dbraw/zinc/20/47/45/664204745.db2.gz MSFXZGMUYWBZMX-UHFFFAOYSA-N -1 3 373.216 0.728 10 0 FCAEHM CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCC1(C(=O)[O-])CCC1 ZINC000737945375 664388978 /nfs/dbraw/zinc/38/89/78/664388978.db2.gz XRNQHRHPTMEHSC-ZDUSSCGKSA-N -1 3 354.451 0.483 10 0 FCAEHM COC1CCN(CC[N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)CC1 ZINC000866932159 665172798 /nfs/dbraw/zinc/17/27/98/665172798.db2.gz PGJKKKVUPSBTDW-UHFFFAOYSA-N -1 3 370.397 0.828 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CCNc2ccccn2)c(Br)n1 ZINC000866954671 665244068 /nfs/dbraw/zinc/24/40/68/665244068.db2.gz IYDNSGRRHLZBTB-UHFFFAOYSA-N -1 3 360.237 0.968 10 0 FCAEHM O=C([N-]Cc1nnc2ccc(Cl)cn21)C(F)(F)C(=O)N1CCOCC1 ZINC000905161283 666010312 /nfs/dbraw/zinc/01/03/12/666010312.db2.gz FAPIBQPJAVSSES-UHFFFAOYSA-N -1 3 373.747 0.493 10 0 FCAEHM CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)c2cc3c(cc2[O-])OCO3)C1 ZINC000436815423 666034097 /nfs/dbraw/zinc/03/40/97/666034097.db2.gz OKAYMKUZRFQXRX-JTQLQIEISA-N -1 3 356.400 0.617 10 0 FCAEHM O=C(CO)NCCC(=O)Nc1cc(I)ccc1[O-] ZINC000907145410 666104042 /nfs/dbraw/zinc/10/40/42/666104042.db2.gz RTKUPTROYFSCLK-UHFFFAOYSA-N -1 3 364.139 0.434 10 0 FCAEHM C/C=C\[C@@H](O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000908001008 666173161 /nfs/dbraw/zinc/17/31/61/666173161.db2.gz IWQTWWSAIUENLN-OTDNITJGSA-N -1 3 350.799 0.811 10 0 FCAEHM CS(=O)(=O)CC1(NC(=O)c2cc([O-])cc(Br)c2)COC1 ZINC000912260488 666397498 /nfs/dbraw/zinc/39/74/98/666397498.db2.gz NLYXWQYHUOBWEF-UHFFFAOYSA-N -1 3 364.217 0.698 10 0 FCAEHM CN1CCOC[C@]1(CO)C[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000921338632 666436312 /nfs/dbraw/zinc/43/63/12/666436312.db2.gz MRRBEWINCMTTAG-GFCCVEGCSA-N -1 3 369.365 0.072 10 0 FCAEHM CN1CCOC[C@]1(CO)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000921339337 666436833 /nfs/dbraw/zinc/43/68/33/666436833.db2.gz BVVLSXKOKOMBQO-CYBMUJFWSA-N -1 3 369.270 0.965 10 0 FCAEHM CN1CCOC[C@@]1(CO)C[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000921339756 666437161 /nfs/dbraw/zinc/43/71/61/666437161.db2.gz LFXNNIZMUQTTRT-ZDUSSCGKSA-N -1 3 352.815 0.451 10 0 FCAEHM CN1CCOC[C@@]1(CO)C[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000921340167 666437310 /nfs/dbraw/zinc/43/73/10/666437310.db2.gz XFDPUZDYKZPDQR-ZDUSSCGKSA-N -1 3 352.815 0.451 10 0 FCAEHM CN1CC[C@H]1C[N-]S(=O)(=O)c1cnn(C)c1I ZINC000921412932 666446522 /nfs/dbraw/zinc/44/65/22/666446522.db2.gz YWRRYYDJSPRMHL-ZETCQYMHSA-N -1 3 370.216 0.007 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CCN1CCOCC1(C)C ZINC000170885169 666490638 /nfs/dbraw/zinc/49/06/38/666490638.db2.gz BLNAXUSJEFLYOP-UHFFFAOYSA-N -1 3 350.872 0.771 10 0 FCAEHM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000183662130 666690469 /nfs/dbraw/zinc/69/04/69/666690469.db2.gz YHRWNWVANGFVHH-UTUOFQBUSA-N -1 3 353.385 0.603 10 0 FCAEHM CS(=O)(=O)NCCOC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000730604053 666775588 /nfs/dbraw/zinc/77/55/88/666775588.db2.gz CISHMLOOQQVEAR-GFCCVEGCSA-N -1 3 356.400 0.089 10 0 FCAEHM COC1(OC)CCCC[C@H]1[N-]S(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC000918061500 667098634 /nfs/dbraw/zinc/09/86/34/667098634.db2.gz SMQJYMURECCRMT-CHWSQXEVSA-N -1 3 369.505 0.662 10 0 FCAEHM COC(=O)c1csc(S(=O)(=O)[N-]C2CC(N3CCOCC3)C2)c1 ZINC000918307666 667110078 /nfs/dbraw/zinc/11/00/78/667110078.db2.gz COTSXBZRTXKFAU-UHFFFAOYSA-N -1 3 360.457 0.676 10 0 FCAEHM C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]CC(=O)N1CCCCc2ccccc21 ZINC000921694480 667263918 /nfs/dbraw/zinc/26/39/18/667263918.db2.gz ZHEFZZPPZMTCKE-ZDUSSCGKSA-N -1 3 367.471 0.752 10 0 FCAEHM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@@H](C)Cc1c(C)nn(C)c1C ZINC000751455916 667468674 /nfs/dbraw/zinc/46/86/74/667468674.db2.gz YKMVJRWDLQJXBS-QMMMGPOBSA-N -1 3 369.447 0.765 10 0 FCAEHM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]CC[C@H](C)[S@@](C)=O ZINC000751506927 667473919 /nfs/dbraw/zinc/47/39/19/667473919.db2.gz RWRQWJJGHZKBCQ-HXNGOWOSSA-N -1 3 351.450 0.330 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-][C@H]1CON(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000921753212 667475371 /nfs/dbraw/zinc/47/53/71/667475371.db2.gz ZNNRGCGLUFPVRS-NEPJUHHUSA-N -1 3 350.437 0.882 10 0 FCAEHM O=C(C[N-]S(=O)(=O)C1CCS(=O)(=O)CC1)OC1CCCCC1 ZINC000751977557 667497245 /nfs/dbraw/zinc/49/72/45/667497245.db2.gz NODIQQLXEDLIAS-UHFFFAOYSA-N -1 3 353.462 0.359 10 0 FCAEHM COC(=O)c1oc(S(=O)(=O)[N-]C[C@@H]2CCN2C2CCOCC2)cc1C ZINC000921912863 667539810 /nfs/dbraw/zinc/53/98/10/667539810.db2.gz WSFPPSXVJQABDP-ZDUSSCGKSA-N -1 3 372.443 0.906 10 0 FCAEHM Cn1nnc2c1C[C@H]([N-]S(=O)(=O)c1cccc(Br)n1)CC2 ZINC000922037415 667572377 /nfs/dbraw/zinc/57/23/77/667572377.db2.gz BLWBUDGEVPYSAE-MRVPVSSYSA-N -1 3 372.248 0.808 10 0 FCAEHM C[C@H](CC(=O)N1CC=C[C@H]1CO)[N-]S(=O)(=O)c1cccnc1Cl ZINC000922269964 667630500 /nfs/dbraw/zinc/63/05/00/667630500.db2.gz SHIXRUJNVMBXET-MNOVXSKESA-N -1 3 359.835 0.551 10 0 FCAEHM CCOC(=O)C(=O)c1cc(S(=O)(=O)NCc2ncccc2[O-])cn1C ZINC000805085283 667644698 /nfs/dbraw/zinc/64/46/98/667644698.db2.gz JZDZXKUPJFMAII-UHFFFAOYSA-N -1 3 367.383 0.350 10 0 FCAEHM CCS(=O)(=O)C[C@@H](C)[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867016286 667717213 /nfs/dbraw/zinc/71/72/13/667717213.db2.gz MYAGQRZVTQCORL-SSDOTTSWSA-N -1 3 374.282 0.284 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)OCC(=O)c1c[nH]c2ccccc12 ZINC000758350756 667755514 /nfs/dbraw/zinc/75/55/14/667755514.db2.gz KKMAMJAPYGKGSH-UHFFFAOYSA-N -1 3 368.411 0.850 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)O[C@H]2CC[C@@H](S(C)(=O)=O)C2)c(C)o1 ZINC000761244630 667883560 /nfs/dbraw/zinc/88/35/60/667883560.db2.gz VBVDQHRTOVBJJJ-VHSXEESVSA-N -1 3 365.429 0.619 10 0 FCAEHM COC(=O)c1sc2[n-]c(CN3CCOC[C@@H]3CCO)nc(=O)c2c1C ZINC000762337693 667912745 /nfs/dbraw/zinc/91/27/45/667912745.db2.gz KQTCMNDHQZGINR-JTQLQIEISA-N -1 3 367.427 0.663 10 0 FCAEHM C[C@H](OC(=O)Cc1ccc([O-])c(F)c1)C(=O)N(C)CC(=O)NC1CC1 ZINC000838143661 667923327 /nfs/dbraw/zinc/92/33/27/667923327.db2.gz XUCVLTAOQRLFMK-JTQLQIEISA-N -1 3 352.362 0.743 10 0 FCAEHM CNC(=O)C(C)(C)C[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000866991398 667949360 /nfs/dbraw/zinc/94/93/60/667949360.db2.gz IMMSKDXODFBTCD-UHFFFAOYSA-N -1 3 353.242 0.233 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-]CCN2CCC2)c1I ZINC000867001259 667975156 /nfs/dbraw/zinc/97/51/56/667975156.db2.gz OYPLZYIANKHMGH-UHFFFAOYSA-N -1 3 370.216 0.009 10 0 FCAEHM Cc1nc(S(=O)(=O)N2CCN(Cc3nc(C)cc(=O)[n-]3)CC2)cn1C ZINC000767095789 668044907 /nfs/dbraw/zinc/04/49/07/668044907.db2.gz CGTAGPUYZQKSCR-UHFFFAOYSA-N -1 3 366.447 0.039 10 0 FCAEHM C[C@H](CO[N-]C(=O)C[C@H]1CCS(=O)(=O)C1)NC(=O)OC(C)(C)C ZINC000767162689 668046289 /nfs/dbraw/zinc/04/62/89/668046289.db2.gz XYNLXXQHBJVVOK-GHMZBOCLSA-N -1 3 350.437 0.772 10 0 FCAEHM CCN1CCN(c2ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)COC)cc2)CC1 ZINC000777319478 668319436 /nfs/dbraw/zinc/31/94/36/668319436.db2.gz IMZRHPRXZIKQFW-AWEZNQCLSA-N -1 3 369.487 0.923 10 0 FCAEHM Cc1cc(=O)[n-]c(CN2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)n1 ZINC000779623227 668431478 /nfs/dbraw/zinc/43/14/78/668431478.db2.gz ZYLQRAATOBPDEN-ZDUSSCGKSA-N -1 3 356.448 0.117 10 0 FCAEHM O=C(OC[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000788913568 668843870 /nfs/dbraw/zinc/84/38/70/668843870.db2.gz JNKGZUXCPNNEKJ-JSGCOSHPSA-N -1 3 367.423 0.975 10 0 FCAEHM C[C@](O)(Cn1ccccc1=O)C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000790672111 668880422 /nfs/dbraw/zinc/88/04/22/668880422.db2.gz RPKIQDNNTBQLEV-INIZCTEOSA-N -1 3 364.379 0.161 10 0 FCAEHM CCN1CN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CC1=O ZINC000791994113 668897686 /nfs/dbraw/zinc/89/76/86/668897686.db2.gz DKEKBBYRRFVLSP-UHFFFAOYSA-N -1 3 355.391 0.528 10 0 FCAEHM CS(=O)(=O)N1CCCC[C@H]1CN/C=C1/C(=O)[N-]C(=O)c2ccccc21 ZINC000794736974 668993884 /nfs/dbraw/zinc/99/38/84/668993884.db2.gz UNOHCGBSQBWNQF-YGRGUWMTSA-N -1 3 363.439 0.701 10 0 FCAEHM CC(C)OCCS(=O)(=O)[N-]CC(=O)OCC(=O)[C@@H]1Cc2ccccc21 ZINC000795532358 669041469 /nfs/dbraw/zinc/04/14/69/669041469.db2.gz DWKBLYMSTPYMTJ-OAHLLOKOSA-N -1 3 369.439 0.783 10 0 FCAEHM COc1ccc(CCC(=O)NN2CC(=O)[N-]C2=O)c(Br)c1 ZINC000822327477 669257626 /nfs/dbraw/zinc/25/76/26/669257626.db2.gz STAQKVBMGNOMTN-UHFFFAOYSA-N -1 3 356.176 0.973 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]N1C(=O)N[C@@](C)(c2ccccc2)C1=O)C1CC1 ZINC000827523473 669575236 /nfs/dbraw/zinc/57/52/36/669575236.db2.gz FBGFTQYLCYITNE-BBRMVZONSA-N -1 3 367.427 0.713 10 0 FCAEHM O=S(=O)([N-]C[C@H]1CCCCN1CCO)c1cnc(Cl)c(F)c1 ZINC000831804313 669868444 /nfs/dbraw/zinc/86/84/44/669868444.db2.gz DXRPVPIMIDINED-SNVBAGLBSA-N -1 3 351.831 0.999 10 0 FCAEHM O=C(CC1(n2cnnn2)CCOCC1)NCc1nc(C(F)(F)F)n[n-]1 ZINC000832445224 669904507 /nfs/dbraw/zinc/90/45/07/669904507.db2.gz ZFYJBHWXOJPMNL-UHFFFAOYSA-N -1 3 360.300 0.022 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]C(C)(C)CS(C)(=O)=O)c(Br)n1 ZINC000867105395 669940412 /nfs/dbraw/zinc/94/04/12/669940412.db2.gz NYHAYMIHPYWNRW-UHFFFAOYSA-N -1 3 374.282 0.284 10 0 FCAEHM CO[C@]1(C[N-]S(=O)(=O)c2cn(C)nc2Br)CCOC1 ZINC000867109059 669942369 /nfs/dbraw/zinc/94/23/69/669942369.db2.gz FZIKBRAOVTWNKG-JTQLQIEISA-N -1 3 354.226 0.266 10 0 FCAEHM CNC(=O)[C@@H](O)CNC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000816327326 669953410 /nfs/dbraw/zinc/95/34/10/669953410.db2.gz CXURHVDCKZNJAP-NSHDSACASA-N -1 3 368.187 0.127 10 0 FCAEHM CC[C@]1(C)NC(=O)N([N-]C(=O)[C@@H](C[C@H]2COCCO2)C(F)(F)F)C1=O ZINC000834790673 669974995 /nfs/dbraw/zinc/97/49/95/669974995.db2.gz VGGCAYFJDFEBOY-RWEMILLDSA-N -1 3 367.324 0.722 10 0 FCAEHM COC[C@H]([N-]S(=O)(=O)c1cn(C)nc1Br)[C@@H]1CCCO1 ZINC000867207597 670074733 /nfs/dbraw/zinc/07/47/33/670074733.db2.gz SDWWDTLISFTPKR-IUCAKERBSA-N -1 3 368.253 0.655 10 0 FCAEHM COC[C@@H](CO)[N-]S(=O)(=O)Cc1c(Br)cccc1OC ZINC000867213510 670079057 /nfs/dbraw/zinc/07/90/57/670079057.db2.gz MSJUUJBTXYBIJJ-SECBINFHSA-N -1 3 368.249 0.884 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@](O)(CO)C2)ccc1F ZINC000837782821 670129764 /nfs/dbraw/zinc/12/97/64/670129764.db2.gz NRLFQOBJOMLYJA-MRXNPFEDSA-N -1 3 374.434 0.472 10 0 FCAEHM CCN1CC[C@H]([N-]S(=O)(=O)c2cn(C)nc2Br)C1=O ZINC000867241192 670133980 /nfs/dbraw/zinc/13/39/80/670133980.db2.gz RAGKKWBUOJQUMR-ZETCQYMHSA-N -1 3 351.226 0.082 10 0 FCAEHM COc1cc(C)[n-]c(=NNS(=O)(=O)C[C@@H](OC)C2CCOCC2)n1 ZINC000842584552 670701170 /nfs/dbraw/zinc/70/11/70/670701170.db2.gz GZKJFGBCXJAVLR-GFCCVEGCSA-N -1 3 360.436 0.482 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]Cc1cc(Br)no1)[C@@H]1CCOC1 ZINC000867322835 670781466 /nfs/dbraw/zinc/78/14/66/670781466.db2.gz FDDWRLXGZWSURY-PSASIEDQSA-N -1 3 369.237 0.908 10 0 FCAEHM CCN1C[C@H](S(=O)(=O)[N-]Cc2cc(Br)no2)CC1=O ZINC000867323989 670786619 /nfs/dbraw/zinc/78/66/19/670786619.db2.gz XQPVQHDPGRJKAL-MRVPVSSYSA-N -1 3 352.210 0.477 10 0 FCAEHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2C[C@@H](C(N)=O)C2)ccc1F ZINC000846440308 671110843 /nfs/dbraw/zinc/11/08/43/671110843.db2.gz NDIMVDNLNSDQKQ-PHIMTYICSA-N -1 3 371.434 0.896 10 0 FCAEHM CO[C@@](C)(CO)CNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC000848264253 671264130 /nfs/dbraw/zinc/26/41/30/671264130.db2.gz BUSTXVUBOXFQSF-MRXNPFEDSA-N -1 3 351.334 0.001 10 0 FCAEHM CO[C@@](C)(CO)CNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000848264253 671264134 /nfs/dbraw/zinc/26/41/34/671264134.db2.gz BUSTXVUBOXFQSF-MRXNPFEDSA-N -1 3 351.334 0.001 10 0 FCAEHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]CCCc2ncn(C)n2)c1 ZINC000848461347 671278464 /nfs/dbraw/zinc/27/84/64/671278464.db2.gz VLAQTIAAFJUIGF-UHFFFAOYSA-N -1 3 370.406 0.960 10 0 FCAEHM C[C@H](C[N-]S(=O)(=O)c1cn(C)c(Cl)n1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848475771 671279614 /nfs/dbraw/zinc/27/96/14/671279614.db2.gz RKGPZVUFXXPUCL-MXWKQRLJSA-N -1 3 350.872 0.850 10 0 FCAEHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@@H]2CN(C3CC3)C(=O)O2)c1 ZINC000848515872 671283623 /nfs/dbraw/zinc/28/36/23/671283623.db2.gz SYEHUJWOTGTNPR-LLVKDONJSA-N -1 3 372.374 0.874 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@H]2Cc3ccccc3N(C)C2=O)nc1Cl ZINC000849423259 671341514 /nfs/dbraw/zinc/34/15/14/671341514.db2.gz KLWOSZQJSJSJPP-JTQLQIEISA-N -1 3 354.819 0.940 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000849450985 671348302 /nfs/dbraw/zinc/34/83/02/671348302.db2.gz DPYYBRNBCGJILF-IONNQARKSA-N -1 3 355.869 0.626 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](OC)[C@H]2CCOC2)ccc1F ZINC000855205537 671629579 /nfs/dbraw/zinc/62/95/79/671629579.db2.gz GYAZVYNZGABGOG-AAEUAGOBSA-N -1 3 360.407 0.515 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCCc2cncc(C)n2)ccc1F ZINC000855952243 671672101 /nfs/dbraw/zinc/67/21/01/671672101.db2.gz ZXLLXWLNXQBYDG-UHFFFAOYSA-N -1 3 352.391 0.805 10 0 FCAEHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC000858275838 671755942 /nfs/dbraw/zinc/75/59/42/671755942.db2.gz FUINCCMZFFOOSY-NFFDBFGFSA-N -1 3 366.395 0.717 10 0 FCAEHM CN1CCOC[C@H]1CNC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000858839211 671779245 /nfs/dbraw/zinc/77/92/45/671779245.db2.gz YKQUJOWGFOREAS-GFCCVEGCSA-N -1 3 366.384 0.417 10 0 FCAEHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]C[C@H](O)[C@H]2CCCO2)c1 ZINC000859287335 671810057 /nfs/dbraw/zinc/81/00/57/671810057.db2.gz MSPYTJCAGAQJAW-NWDGAFQWSA-N -1 3 361.391 0.739 10 0 FCAEHM COC(=O)[C@@H]1CC[C@H](C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)O1 ZINC000861510628 671967018 /nfs/dbraw/zinc/96/70/18/671967018.db2.gz UHCNODHMLJVFNH-MNOVXSKESA-N -1 3 366.336 0.624 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCN(C3CCC3)C2=O)ccc1F ZINC000863840274 672159437 /nfs/dbraw/zinc/15/94/37/672159437.db2.gz STCZLBGCNFCBPU-CYBMUJFWSA-N -1 3 369.418 0.617 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CCCN2CCCC2=O)c(Br)n1 ZINC000866440071 672274141 /nfs/dbraw/zinc/27/41/41/672274141.db2.gz LVCIKFFHVXZVGD-UHFFFAOYSA-N -1 3 365.253 0.473 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CC(=O)N2CCCCC2)c(Br)n1 ZINC000866496175 672278339 /nfs/dbraw/zinc/27/83/39/672278339.db2.gz WQCJJZVIEZTZKX-UHFFFAOYSA-N -1 3 365.253 0.473 10 0 FCAEHM C[C@H](C[N-]S(=O)(=O)c1cn(C)nc1Br)Cn1cccn1 ZINC000866510627 672279256 /nfs/dbraw/zinc/27/92/56/672279256.db2.gz OUBCCMGDCREWRR-SECBINFHSA-N -1 3 362.253 0.994 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cn(C)nc1Br)C(=O)NC(C)(C)C ZINC000866594373 672283853 /nfs/dbraw/zinc/28/38/53/672283853.db2.gz FFXIBLLVTLSIFD-SSDOTTSWSA-N -1 3 367.269 0.764 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-]C[C@H]2CN3CCC[C@H]3CO2)c1C(F)(F)F ZINC000866674858 672286471 /nfs/dbraw/zinc/28/64/71/672286471.db2.gz FLTRVUCLFXOTPL-UWVGGRQHSA-N -1 3 368.381 0.580 10 0 FCAEHM COCCN1CCC[C@H]1C[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000866723870 672292873 /nfs/dbraw/zinc/29/28/73/672292873.db2.gz JJPBOHYPCFIRMX-JTQLQIEISA-N -1 3 370.397 0.828 10 0 FCAEHM COC(=O)[C@H]([N-]S(=O)(=O)C[C@@H]1CNCCO1)c1cc(F)ccc1F ZINC000866748409 672297434 /nfs/dbraw/zinc/29/74/34/672297434.db2.gz PVWQEOZSLPKRNP-GXFFZTMASA-N -1 3 364.370 0.087 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CCOC[C@@H]2CCOC2)c(Br)n1 ZINC000866761559 672300314 /nfs/dbraw/zinc/30/03/14/672300314.db2.gz YKBCKLZJUCIGHM-SECBINFHSA-N -1 3 368.253 0.514 10 0 FCAEHM CN(C)c1ncc(C[N-]S(=O)(=O)N=[S@@](C)(=O)c2ccccc2)n1C ZINC000866781213 672304836 /nfs/dbraw/zinc/30/48/36/672304836.db2.gz MNRMKZOEJNSCHK-QHCPKHFHSA-N -1 3 371.488 0.977 10 0 FCAEHM CCCCOC(=O)C[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000866805726 672309275 /nfs/dbraw/zinc/30/92/75/672309275.db2.gz PRFNTKLVVHQIOF-UHFFFAOYSA-N -1 3 354.226 0.804 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-]CCO[C@@H]2CC2(F)F)c1Br ZINC000867510659 672328456 /nfs/dbraw/zinc/32/84/56/672328456.db2.gz DWARRIQEDJRREF-SSDOTTSWSA-N -1 3 360.180 0.885 10 0 FCAEHM O=C1OC[C@@]2(C[N-]S(=O)(=O)c3cccc(Cl)c3F)COCCN12 ZINC000867749930 672363045 /nfs/dbraw/zinc/36/30/45/672363045.db2.gz QPDAHBSJJCUUPQ-CYBMUJFWSA-N -1 3 364.782 0.979 10 0 FCAEHM O=C1COC[C@@]2(C[N-]S(=O)(=O)c3ccc(Cl)s3)COCCN12 ZINC000867790270 672367766 /nfs/dbraw/zinc/36/77/66/672367766.db2.gz HBCSGJXJLSJVIN-GFCCVEGCSA-N -1 3 366.848 0.308 10 0 FCAEHM Cn1cnnc1S(=O)(=O)[N-]Cc1nc(C(F)(F)F)n2c1CCCC2 ZINC000867791909 672368093 /nfs/dbraw/zinc/36/80/93/672368093.db2.gz ZKVLNKYHHSHXIW-UHFFFAOYSA-N -1 3 364.353 0.845 10 0 FCAEHM COc1ccc(CCC(=O)[N-]OC[C@@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000871798759 672571313 /nfs/dbraw/zinc/57/13/13/672571313.db2.gz RYKZCOPVXSURHO-CQSZACIVSA-N -1 3 356.444 0.957 10 0 FCAEHM CS(=O)(=O)NC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cccnc1Cl ZINC000800196919 673421944 /nfs/dbraw/zinc/42/19/44/673421944.db2.gz DBEILYJDBFQNJK-ZJUUUORDSA-N -1 3 367.880 0.731 10 0 FCAEHM COc1cccc(Br)c1CS(=O)(=O)[N-][C@@H]1CNOC1 ZINC000923724109 673738655 /nfs/dbraw/zinc/73/86/55/673738655.db2.gz CPYZVBLLVNKKGU-MRVPVSSYSA-N -1 3 351.222 0.781 10 0 FCAEHM COc1cc(C(=O)N[C@H]2CCN(C)[C@@H]2C)cc([N-]S(C)(=O)=O)c1OC ZINC000928447658 673910380 /nfs/dbraw/zinc/91/03/80/673910380.db2.gz LDRHQSTWBRBKBH-PWSUYJOCSA-N -1 3 371.459 0.898 10 0 FCAEHM CCN1CC[C@H](NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)C1=O ZINC000801787418 675808266 /nfs/dbraw/zinc/80/82/66/675808266.db2.gz INVGMPOYOFLXFR-ZDUSSCGKSA-N -1 3 371.434 0.863 10 0 FCAEHM C[C@@](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)(NC(=O)c1cnc[n-]c1=O)C1CC1 ZINC001746280885 1192384995 /nfs/dbraw/zinc/38/49/95/1192384995.db2.gz BPAGYUAOYKQNGQ-QNYBABCDSA-N -1 3 372.425 0.620 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC1CC1)C2 ZINC001719876181 1188379559 /nfs/dbraw/zinc/37/95/59/1188379559.db2.gz BLXSUXBSAVUSFD-MCIONIFRSA-N -1 3 360.414 0.779 10 0 FCAEHM CCC1(CC)NC(=O)N(CC(=O)Nc2cccc(Cc3nnn[n-]3)c2)C1=O ZINC001141841735 1189883294 /nfs/dbraw/zinc/88/32/94/1189883294.db2.gz PVZJACZULIQWEC-UHFFFAOYSA-N -1 3 371.401 0.840 10 0 FCAEHM CCC1(CC)NC(=O)N(CC(=O)Nc2cccc(Cc3nn[n-]n3)c2)C1=O ZINC001141841735 1189883298 /nfs/dbraw/zinc/88/32/98/1189883298.db2.gz PVZJACZULIQWEC-UHFFFAOYSA-N -1 3 371.401 0.840 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)[C@H]3CCc4cnn(C)c4C3)CC2)n1 ZINC000899494983 1194162405 /nfs/dbraw/zinc/16/24/05/1194162405.db2.gz JCTSHIZBWXCKCB-ZDUSSCGKSA-N -1 3 356.430 0.678 10 0 FCAEHM CN1CCN(c2cccc(C(=O)N3CCSC[C@@H]3c3nnn[n-]3)n2)CC1 ZINC000907477828 1195695608 /nfs/dbraw/zinc/69/56/08/1195695608.db2.gz UZZJOJKHHPYSAF-CYBMUJFWSA-N -1 3 374.474 0.277 10 0 FCAEHM CN1CCN(c2cccc(C(=O)N3CCSC[C@@H]3c3nn[n-]n3)n2)CC1 ZINC000907477828 1195695614 /nfs/dbraw/zinc/69/56/14/1195695614.db2.gz UZZJOJKHHPYSAF-CYBMUJFWSA-N -1 3 374.474 0.277 10 0 FCAEHM O=C(COC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])N1CCOCC1 ZINC000046333520 1196611770 /nfs/dbraw/zinc/61/17/70/1196611770.db2.gz XDOGGHNOHDWRJB-AWEZNQCLSA-N -1 3 362.382 0.399 10 0 FCAEHM O=C(N[C@H]1CCN(C2CCOCC2)C1=O)c1nnc2ccccc2c1[O-] ZINC000747436677 1202860552 /nfs/dbraw/zinc/86/05/52/1202860552.db2.gz IAWXNQCBTFCIRA-AWEZNQCLSA-N -1 3 356.382 0.845 10 0 FCAEHM CC(C)(C)C(=O)NCC(=O)OCCC(=O)N1CCCc2c(=O)[n-]cnc21 ZINC001132783910 1202967318 /nfs/dbraw/zinc/96/73/18/1202967318.db2.gz ZWMFPUREFSWWHF-UHFFFAOYSA-N -1 3 364.402 0.557 10 0 FCAEHM COC(=O)[C@@](C)(Cn1cccn1)NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC001134899915 1203031640 /nfs/dbraw/zinc/03/16/40/1203031640.db2.gz XGHGLMHCSVPTFN-QGZVFWFLSA-N -1 3 361.402 0.676 10 0 FCAEHM CCN1C(=O)C[C@H](C(=O)NCCc2c(C)[n-][nH]c2=O)[C@H]1c1cccnc1 ZINC001144232916 1204438342 /nfs/dbraw/zinc/43/83/42/1204438342.db2.gz OBIAZCOQTAVCND-OFQRWUPVSA-N -1 3 357.414 0.619 10 0 FCAEHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)CN2C(=O)NC3(CCCC3)C2=O)n1 ZINC001144384407 1204485463 /nfs/dbraw/zinc/48/54/63/1204485463.db2.gz COLZFPIULBOZBP-UHFFFAOYSA-N -1 3 361.402 0.707 10 0 FCAEHM O=C(CN1CC[C@@H](c2nnn[n-]2)C1)Nc1ccc(N2CCOCC2)cc1 ZINC001175700388 1206306916 /nfs/dbraw/zinc/30/69/16/1206306916.db2.gz XVTBRFNWNQLULX-CYBMUJFWSA-N -1 3 357.418 0.464 10 0 FCAEHM O=C(CN1CC[C@@H](c2nn[n-]n2)C1)Nc1ccc(N2CCOCC2)cc1 ZINC001175700388 1206306918 /nfs/dbraw/zinc/30/69/18/1206306918.db2.gz XVTBRFNWNQLULX-CYBMUJFWSA-N -1 3 357.418 0.464 10 0 FCAEHM CCC[C@@H](NC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])C(=O)OC ZINC001179346897 1206379287 /nfs/dbraw/zinc/37/92/87/1206379287.db2.gz IBTZBOYUGQYSHV-GFCCVEGCSA-N -1 3 363.345 0.945 10 0 FCAEHM CCC[C@@H](NC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O)C(=O)OC ZINC001179346897 1206379290 /nfs/dbraw/zinc/37/92/90/1206379290.db2.gz IBTZBOYUGQYSHV-GFCCVEGCSA-N -1 3 363.345 0.945 10 0 FCAEHM Cn1cc(-c2n[nH]cc2C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)cn1 ZINC001180027251 1206388077 /nfs/dbraw/zinc/38/80/77/1206388077.db2.gz HSFROAGTXFBKSS-LLVKDONJSA-N -1 3 354.374 0.315 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H]2CCN(C(=O)CCOC(C)C)[C@@H]2C1 ZINC001489208105 1208672885 /nfs/dbraw/zinc/67/28/85/1208672885.db2.gz YQNPXDBONJATOY-UONOGXRCSA-N -1 3 362.430 0.979 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)c2cnc[n-]c2=O)CCN1CC(=O)NCc1ccco1 ZINC001489273624 1208750945 /nfs/dbraw/zinc/75/09/45/1208750945.db2.gz FIEBZCDSQZMMBD-RISCZKNCSA-N -1 3 359.386 0.284 10 0 FCAEHM CO[C@@H]1CN(C(=O)[C@H](C)CSC)C[C@H]1NC(=O)c1cnc[n-]c1=O ZINC001489528061 1208883303 /nfs/dbraw/zinc/88/33/03/1208883303.db2.gz IDIQPRNPTYGBLT-YUSALJHKSA-N -1 3 354.432 0.137 10 0 FCAEHM CCC[C@@H](C)CC(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@@H]1O ZINC001489563218 1208932114 /nfs/dbraw/zinc/93/21/14/1208932114.db2.gz GABJMTFIFYLDIY-RTXFEEFZSA-N -1 3 350.419 0.618 10 0 FCAEHM O=C(CN1CCc2ccccc21)NC[C@H]1CC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC001489879781 1209099467 /nfs/dbraw/zinc/09/94/67/1209099467.db2.gz KPRCKFMHWKOZJK-DZGCQCFKSA-N -1 3 368.441 0.882 10 0 FCAEHM C[C@H](Oc1cccnc1)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC001489906491 1209147251 /nfs/dbraw/zinc/14/72/51/1209147251.db2.gz VRFBLHRMYLBTIF-RWMBFGLXSA-N -1 3 358.402 0.682 10 0 FCAEHM CCNC(=O)CC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)c1cnc[n-]c1=O ZINC001489952320 1209177597 /nfs/dbraw/zinc/17/75/97/1209177597.db2.gz FXEUVJPQWBZERB-NEPJUHHUSA-N -1 3 363.418 0.065 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)CNC(=O)c1ccccc1 ZINC001490004928 1209208518 /nfs/dbraw/zinc/20/85/18/1209208518.db2.gz IVEYLTQGYFDBBA-DZGCQCFKSA-N -1 3 370.413 0.344 10 0 FCAEHM CCOCCC(=O)N1CC[C@@H]2CN(C(=O)c3c(C)nc[n-]c3=O)C[C@@H]2C1 ZINC001490046974 1209226298 /nfs/dbraw/zinc/22/62/98/1209226298.db2.gz OBEKKLBIWBBPGS-KGLIPLIRSA-N -1 3 362.430 0.838 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)CCc2cnn(C)n2)CCN1C(=O)c1ccccc1[O-] ZINC001490131860 1209261590 /nfs/dbraw/zinc/26/15/90/1209261590.db2.gz HAQLOKDQTQXFJN-DOMZBBRYSA-N -1 3 357.414 0.873 10 0 FCAEHM C[C@@H]1CN(C(=O)[C@H]2CCCCO2)C[C@H]1CCNC(=O)c1cnc[n-]c1=O ZINC001490428958 1209351710 /nfs/dbraw/zinc/35/17/10/1209351710.db2.gz LPYSNDFQWYQNLZ-UMVBOHGHSA-N -1 3 362.430 0.966 10 0 FCAEHM COC[C@H](OC)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3n[n-]nc31)C2 ZINC001490618373 1209390466 /nfs/dbraw/zinc/39/04/66/1209390466.db2.gz AOGVJXGTGGEPMY-KJEVXHAQSA-N -1 3 373.413 0.481 10 0 FCAEHM O=C(CCOCC(F)F)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc[n-]c1=O)C2 ZINC001490637627 1209396998 /nfs/dbraw/zinc/39/69/98/1209396998.db2.gz KUFDOYXGMCHAOL-USWWRNFRSA-N -1 3 370.356 0.716 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCOC1 ZINC001490651068 1209403895 /nfs/dbraw/zinc/40/38/95/1209403895.db2.gz IVNSHVMVJGWRKS-XRGAULLZSA-N -1 3 374.441 0.708 10 0 FCAEHM CCOCCO[C@@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn[n-]n1)C2 ZINC001490650661 1209404024 /nfs/dbraw/zinc/40/40/24/1209404024.db2.gz DKZPQYHTEGYPNH-OPDFLTKYSA-N -1 3 351.407 0.108 10 0 FCAEHM CCOCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c(C)nc[n-]c1=O)C2 ZINC001490652542 1209404521 /nfs/dbraw/zinc/40/45/21/1209404521.db2.gz VISJGBSSSPFEIP-SNPRPXQTSA-N -1 3 362.430 0.708 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@](C)(O)C1CC1)C2 ZINC001490780870 1209429598 /nfs/dbraw/zinc/42/95/98/1209429598.db2.gz MSPLAZKKKRSUGL-PXWIGAEESA-N -1 3 374.441 0.903 10 0 FCAEHM O=C(N[C@@H]1CCNC(=O)CC1)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC000854956328 1209652183 /nfs/dbraw/zinc/65/21/83/1209652183.db2.gz JFHDPIRMJLJHIZ-NSHDSACASA-N -1 3 360.345 0.272 10 0 FCAEHM O=C(N[C@@H]1CCNC(=O)CC1)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000854956328 1209652187 /nfs/dbraw/zinc/65/21/87/1209652187.db2.gz JFHDPIRMJLJHIZ-NSHDSACASA-N -1 3 360.345 0.272 10 0 FCAEHM COC[C@H](CCNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])OC ZINC000855221299 1209661931 /nfs/dbraw/zinc/66/19/31/1209661931.db2.gz IWSNDHWSMMBQRU-ZDUSSCGKSA-N -1 3 365.361 0.655 10 0 FCAEHM COC[C@H](CCNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O)OC ZINC000855221299 1209661936 /nfs/dbraw/zinc/66/19/36/1209661936.db2.gz IWSNDHWSMMBQRU-ZDUSSCGKSA-N -1 3 365.361 0.655 10 0 FCAEHM COC(=O)[C@@H]1CC[C@H](C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)O1 ZINC000860047422 1209837349 /nfs/dbraw/zinc/83/73/49/1209837349.db2.gz DIYPWSGKFXVYHZ-CABCVRRESA-N -1 3 362.382 0.397 10 0 FCAEHM COC(=O)C1=CC[C@@H](NC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])C1 ZINC000862660536 1209920487 /nfs/dbraw/zinc/92/04/87/1209920487.db2.gz KEIIGJJHCRDBHG-GFCCVEGCSA-N -1 3 373.340 0.866 10 0 FCAEHM COC(=O)C1=CC[C@@H](NC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)C1 ZINC000862660536 1209920489 /nfs/dbraw/zinc/92/04/89/1209920489.db2.gz KEIIGJJHCRDBHG-GFCCVEGCSA-N -1 3 373.340 0.866 10 0 FCAEHM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N[C@H]3CCN(C)[C@@H]3C)cc2)[n-]1 ZINC000928453074 1211603218 /nfs/dbraw/zinc/60/32/18/1211603218.db2.gz IEQAIJUGDGPQQC-WBMJQRKESA-N -1 3 372.425 0.704 10 0 FCAEHM C[C@@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NCc1cc(=O)n2[n-]ccc2n1 ZINC001491528951 1220152125 /nfs/dbraw/zinc/15/21/25/1220152125.db2.gz BDIUWWLJVKOBCP-MAXXOLAJSA-N -1 3 357.414 0.040 10 0 FCAEHM O=C(Cc1ccc(F)cn1)NCC(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC000798165827 1221281338 /nfs/dbraw/zinc/28/13/38/1221281338.db2.gz RSEZRCDZSOVTJY-UHFFFAOYSA-N -1 3 371.328 0.873 10 0 FCAEHM COc1c(=O)[n-]c(=O)[nH]c1C(=O)Nc1cccc(Cn2cccnc2=O)c1 ZINC001116789482 1221390690 /nfs/dbraw/zinc/39/06/90/1221390690.db2.gz BAGSWEJAVNCMEW-UHFFFAOYSA-N -1 3 369.337 0.754 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(C(=O)C(=O)NC[C@H]3C[C@H]3C)CC2)n[n-]1 ZINC001117059250 1221450202 /nfs/dbraw/zinc/45/02/02/1221450202.db2.gz BJFUUTJQSRQDSJ-ZYHUDNBSSA-N -1 3 363.418 0.460 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(C(=O)C(=O)NC[C@H]3C[C@H]3C)CC2)[n-]1 ZINC001117059250 1221450207 /nfs/dbraw/zinc/45/02/07/1221450207.db2.gz BJFUUTJQSRQDSJ-ZYHUDNBSSA-N -1 3 363.418 0.460 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NCC[C@@]1(O)CCOC1 ZINC001118333275 1221762464 /nfs/dbraw/zinc/76/24/64/1221762464.db2.gz JDZKKIIKNUJGPW-LJQANCHMSA-N -1 3 372.425 0.731 10 0 FCAEHM COC(=O)C1CC2(C1)CN(CC(=O)N1C[C@H](C)O[C@@H](C)C1)C[C@H]2C(=O)[O-] ZINC001119607054 1221939455 /nfs/dbraw/zinc/93/94/55/1221939455.db2.gz WEWIZFGFHKOIDD-ZLTVLGTPSA-N -1 3 368.430 0.208 10 0 FCAEHM CCN1CCN(C[C@H](C)CNC(=O)N2C[C@@H](OC)C[C@]2(C)C(=O)[O-])CC1 ZINC001119638804 1221943364 /nfs/dbraw/zinc/94/33/64/1221943364.db2.gz SFUCQQGZVKUXKC-RVKKMQEKSA-N -1 3 370.494 0.534 10 0 FCAEHM O=C(c1cn(CCO)nc1C1CCOCC1)N1CCc2c(=O)[n-]cnc2C1 ZINC001138214746 1222492081 /nfs/dbraw/zinc/49/20/81/1222492081.db2.gz MHTBQXCAWIELJT-UHFFFAOYSA-N -1 3 373.413 0.464 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(C(=O)Cc3nnc(C4CC4)[nH]3)CC2)n[n-]1 ZINC001139569446 1222553791 /nfs/dbraw/zinc/55/37/91/1222553791.db2.gz AJMWEYVESYMHGX-UHFFFAOYSA-N -1 3 373.417 0.926 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(C(=O)Cc3nnc(C4CC4)[nH]3)CC2)[n-]1 ZINC001139569446 1222553794 /nfs/dbraw/zinc/55/37/94/1222553794.db2.gz AJMWEYVESYMHGX-UHFFFAOYSA-N -1 3 373.417 0.926 10 0 FCAEHM Cc1cc2n[n-]c(NC(=O)c3cn(C[C@@H]4CCOC4)nn3)c2c(=O)n1C ZINC001142821531 1222852351 /nfs/dbraw/zinc/85/23/51/1222852351.db2.gz LAWUCHFUKVNNJQ-JTQLQIEISA-N -1 3 357.374 0.450 10 0 FCAEHM CN1NN=C2C1=NCC[C@@H]2C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000847101474 1245329944 /nfs/dbraw/zinc/32/99/44/1245329944.db2.gz YYKGGZYYBAXAJJ-JTQLQIEISA-N -1 3 374.367 0.128 10 0 FCAEHM CN(CCNC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])CCOCCO ZINC000922119365 1245660274 /nfs/dbraw/zinc/66/02/74/1245660274.db2.gz PMDKVTWWGRGONL-UHFFFAOYSA-N -1 3 366.393 0.388 10 0 FCAEHM Cc1nc[nH]c1CC(=O)NC[C@H]1CC[C@@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001515117756 1265434668 /nfs/dbraw/zinc/43/46/68/1265434668.db2.gz QXEYXVDUOHPVQG-NWDGAFQWSA-N -1 3 358.402 0.471 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)CS(C)(=O)=O)CCN1C(=O)c1ccccc1[O-] ZINC001519711860 1265756373 /nfs/dbraw/zinc/75/63/73/1265756373.db2.gz WIJYOQGTNRBESE-QWHCGFSZSA-N -1 3 354.428 0.546 10 0 FCAEHM CN(Cc1ccccc1)C[C@@H](N)C(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC001329685405 1265814552 /nfs/dbraw/zinc/81/45/52/1265814552.db2.gz HKYCQZJFAOIMIR-QGZVFWFLSA-N -1 3 363.458 0.928 10 0 FCAEHM CNC(=O)c1cccc(NC(=O)[C@H](C)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1 ZINC001330581303 1266063580 /nfs/dbraw/zinc/06/35/80/1266063580.db2.gz HUXOOMNDLHXVSQ-WHWRDJHUSA-N -1 3 361.398 0.406 10 0 FCAEHM CSCCC(=O)N1C[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@]2(C)C1 ZINC001521627269 1266153777 /nfs/dbraw/zinc/15/37/77/1266153777.db2.gz XIAYHHUMTSNAQK-BZNIZROVSA-N -1 3 350.444 0.856 10 0 FCAEHM CCOC(=O)C[C@H]1CCCN1C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001251450915 1259748775 /nfs/dbraw/zinc/74/87/75/1259748775.db2.gz JRTMDVJFBWQRDN-CHWSQXEVSA-N -1 3 363.418 0.888 10 0 FCAEHM CC[C@H]1C(=O)N(CC)CCN1C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001251451221 1259749026 /nfs/dbraw/zinc/74/90/26/1259749026.db2.gz SBLHORKRQYSZHT-STQMWFEESA-N -1 3 362.434 0.413 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)N[C@H]1CC(=O)N(CC2CC2)C1 ZINC001254652244 1259892237 /nfs/dbraw/zinc/89/22/37/1259892237.db2.gz HVVONRVSPUQQAB-STQMWFEESA-N -1 3 360.418 0.071 10 0 FCAEHM CN(C)c1n[nH]c(CNC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)n1 ZINC001254879183 1259899784 /nfs/dbraw/zinc/89/97/84/1259899784.db2.gz QWRFUCKNELHUNA-UHFFFAOYSA-N -1 3 373.417 0.244 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1CCNC(=O)c1nnn(C)n1 ZINC001522021055 1266306153 /nfs/dbraw/zinc/30/61/53/1266306153.db2.gz XPBHGCIDVYDDAS-VXGBXAGGSA-N -1 3 358.402 0.444 10 0 FCAEHM CN(C)Cc1cccc(NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1 ZINC001261630791 1260172823 /nfs/dbraw/zinc/17/28/23/1260172823.db2.gz YERIRLFYJUSOGO-FZKQIMNGSA-N -1 3 361.398 0.246 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2ccnnc2)C1 ZINC001522033852 1266314460 /nfs/dbraw/zinc/31/44/60/1266314460.db2.gz PWPJQVUJWGTRKA-BXUZGUMPSA-N -1 3 370.413 0.809 10 0 FCAEHM O=C(N[C@@H](CO)CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1)c1cn[n-]n1 ZINC001337672352 1260452197 /nfs/dbraw/zinc/45/21/97/1260452197.db2.gz APDATOQJAHZBKS-FRRDWIJNSA-N -1 3 363.805 0.469 10 0 FCAEHM O=C(NC[C@H](CO)NC(=O)[C@]12C[C@H]1CCC2)c1cc(=O)[n-]c(C2CC2)n1 ZINC001337713068 1260466286 /nfs/dbraw/zinc/46/62/86/1260466286.db2.gz VLXHLCCDFMNRHI-SEDUGSJDSA-N -1 3 360.414 0.457 10 0 FCAEHM O=C([O-])[C@H]1CC[C@@H](C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)O1 ZINC001332207609 1266356753 /nfs/dbraw/zinc/35/67/53/1266356753.db2.gz KJIRBMQCFNQFLN-LTIDMASMSA-N -1 3 362.426 0.618 10 0 FCAEHM O=C(C[C@@H]1C[C@H]1c1ccccc1)N[C@H](CO)CNC(=O)c1cnc[n-]c1=O ZINC001281092822 1261087393 /nfs/dbraw/zinc/08/73/93/1261087393.db2.gz GEIUWKMMQMBEIC-KKUMJFAQSA-N -1 3 370.409 0.583 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001281263043 1261101689 /nfs/dbraw/zinc/10/16/89/1261101689.db2.gz WRSVNHGQYJEXEC-YNEHKIRRSA-N -1 3 364.446 0.722 10 0 FCAEHM CCNC(=O)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1c(C)nc[n-]c1=O ZINC001282005695 1261327959 /nfs/dbraw/zinc/32/79/59/1261327959.db2.gz VTMSFJGPYXJIPJ-VXGBXAGGSA-N -1 3 363.418 0.174 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CC[C@H](CNC(=O)Cn2cccn2)C1 ZINC001282097198 1261337956 /nfs/dbraw/zinc/33/79/56/1261337956.db2.gz KYCGOSIGICYQDZ-QWHCGFSZSA-N -1 3 358.402 0.402 10 0 FCAEHM CC/C(C)=C\C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001282163694 1261363590 /nfs/dbraw/zinc/36/35/90/1261363590.db2.gz GVOMHWSLESWZEH-HDSBBYFRSA-N -1 3 357.418 0.619 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NCc1cc(=O)[n-]c(CNC(=O)C[C@@H]2CCOC2)n1 ZINC001282232378 1261388014 /nfs/dbraw/zinc/38/80/14/1261388014.db2.gz IIBQMJVGDMYIJX-OUCADQQQSA-N -1 3 362.430 0.887 10 0 FCAEHM CC=C(C)C(=O)NCc1nc(CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)cc(=O)[n-]1 ZINC001282235227 1261388179 /nfs/dbraw/zinc/38/81/79/1261388179.db2.gz VJNCZEBXQFBTAG-NXHZUBJFSA-N -1 3 370.413 0.908 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)CC2(O)CCC2)CCN1C(=O)c1c(C)nc[n-]c1=O ZINC001282256068 1261391892 /nfs/dbraw/zinc/39/18/92/1261391892.db2.gz WXSOGXIXWCLEGX-QWHCGFSZSA-N -1 3 362.430 0.905 10 0 FCAEHM Cc1cc(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)c(C)n1NC(N)=O ZINC001472254510 1261455436 /nfs/dbraw/zinc/45/54/36/1261455436.db2.gz UFVOGRUSQNFLRH-LLVKDONJSA-N -1 3 359.390 0.231 10 0 FCAEHM O=C(CCc1nc2cccnc2[nH]1)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001472254677 1261455615 /nfs/dbraw/zinc/45/56/15/1261455615.db2.gz ZGMBCOPABZXKNX-LLVKDONJSA-N -1 3 353.386 0.781 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1c[nH]nc1-c1cccnc1 ZINC001472254182 1261455646 /nfs/dbraw/zinc/45/56/46/1261455646.db2.gz LZOAXOMGTOLNTI-GFCCVEGCSA-N -1 3 351.370 0.976 10 0 FCAEHM COCCCS(=O)(=O)[N-]CC(=O)N=[S@](C)(=O)c1ccccc1F ZINC001472333891 1261459835 /nfs/dbraw/zinc/45/98/35/1261459835.db2.gz LSSIPSDXPUEQOV-JOCHJYFZSA-N -1 3 366.436 0.765 10 0 FCAEHM Cc1c(Br)cnn1CC(=O)Nc1n[n-]c(SCCO)n1 ZINC001472527554 1261473073 /nfs/dbraw/zinc/47/30/73/1261473073.db2.gz WUGAEGGDBRCMMC-UHFFFAOYSA-N -1 3 361.225 0.795 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)c2nn(C3CCOCC3)cc2C)[n-]1 ZINC001472544935 1261474115 /nfs/dbraw/zinc/47/41/15/1261474115.db2.gz DAIMOTIZUDLSCH-UHFFFAOYSA-N -1 3 362.390 0.768 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C[C@@H](O)CN(C)CC(F)(F)F)CC2)n1 ZINC001473802918 1261499082 /nfs/dbraw/zinc/49/90/82/1261499082.db2.gz RMAHKHPJUPMMFL-LBPRGKRZSA-N -1 3 363.384 0.468 10 0 FCAEHM CCCN(C)CC(=O)NCC[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1C ZINC001282553188 1261525245 /nfs/dbraw/zinc/52/52/45/1261525245.db2.gz HLIYKRRXFMZXIF-TZMCWYRMSA-N -1 3 365.478 0.980 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NCC[C@@H]1CN(C(=O)c2cncnc2)C[C@H]1C ZINC001282556066 1261527604 /nfs/dbraw/zinc/52/76/04/1261527604.db2.gz ITVUESFDTBPABY-DGCLKSJQSA-N -1 3 370.413 0.809 10 0 FCAEHM O=c1[n-]cncc1-c1nnc(N2CCN(C3CC3)CC2)n1C[C@@H]1CCOC1 ZINC001345330454 1261675438 /nfs/dbraw/zinc/67/54/38/1261675438.db2.gz MPDIFQNIIMLNNL-ZDUSSCGKSA-N -1 3 371.445 0.762 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@@H](NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1CC1 ZINC001283957523 1261724339 /nfs/dbraw/zinc/72/43/39/1261724339.db2.gz ISYCAKDVXIVGFP-SYQHCUMBSA-N -1 3 360.414 0.683 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@H](C)NC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001284310171 1261748109 /nfs/dbraw/zinc/74/81/09/1261748109.db2.gz NDVXSUDEOWWMNS-LEWSCRJBSA-N -1 3 362.430 0.788 10 0 FCAEHM Cc1ccccc1[C@@H]1C[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1cnc[n-]c1=O ZINC001285440187 1261842075 /nfs/dbraw/zinc/84/20/75/1261842075.db2.gz XZWKNXIDXLGEAG-VHDGCEQUSA-N -1 3 370.409 0.501 10 0 FCAEHM O=C(N[C@@H](CO)CNC(=O)[C@@H]1C[C@H]1C1CCC1)c1cccc2n[n-]nc21 ZINC001287786984 1261976475 /nfs/dbraw/zinc/97/64/75/1261976475.db2.gz OUGZCPKIRMBMJQ-KWCYVHTRSA-N -1 3 357.414 0.601 10 0 FCAEHM CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[C@H](C)CNC(=O)c1cnc[n-]c1=O ZINC001288632607 1262027577 /nfs/dbraw/zinc/02/75/77/1262027577.db2.gz VPKAOLBSLSYGQU-FYPHCDFOSA-N -1 3 360.414 0.572 10 0 FCAEHM C/C=C(/C)C(=O)N[C@@H]1CN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C[C@H]1OC ZINC001289460493 1262210480 /nfs/dbraw/zinc/21/04/80/1262210480.db2.gz XYZCSBOLTSEUTO-JNCZFZAYSA-N -1 3 371.393 0.492 10 0 FCAEHM CO[C@@H]1CN(C(=O)C/C=C/Cc2ccccc2)C[C@H]1NC(=O)c1cn[n-]n1 ZINC001289509124 1262229498 /nfs/dbraw/zinc/22/94/98/1262229498.db2.gz FKVFXGRDVVBGTM-SDKBWNRFSA-N -1 3 369.425 0.949 10 0 FCAEHM CCC(CC)C(=O)NCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cn[n-]n1 ZINC001289919891 1262371457 /nfs/dbraw/zinc/37/14/57/1262371457.db2.gz VRZBZOWRKUTHPF-CHWSQXEVSA-N -1 3 364.450 0.514 10 0 FCAEHM CCOCC(=O)NC[C@H]1CC[C@@H](NC(=O)Cc2c(C)nc(C)[n-]c2=O)C1 ZINC001290086342 1262377285 /nfs/dbraw/zinc/37/72/85/1262377285.db2.gz FSEVEALNLFKLOZ-UONOGXRCSA-N -1 3 364.446 0.779 10 0 FCAEHM CC[C@H](NC(C)=O)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001290225728 1262404811 /nfs/dbraw/zinc/40/48/11/1262404811.db2.gz HYBPLTHJLSJLCW-SCRDCRAPSA-N -1 3 363.418 0.112 10 0 FCAEHM CCNC(=O)CCCC(=O)N1CC[C@H](NC(=O)c2cnc[n-]c2=O)[C@H]1C ZINC001290656463 1262487286 /nfs/dbraw/zinc/48/72/86/1262487286.db2.gz UWNOZGFAEIPGMT-YPMHNXCESA-N -1 3 363.418 0.208 10 0 FCAEHM CN(CCCNC(=O)[C@]12C[C@H]1COC2)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001294123846 1262726878 /nfs/dbraw/zinc/72/68/78/1262726878.db2.gz YNIAUOSHUZPYTR-SGTLLEGYSA-N -1 3 360.414 0.674 10 0 FCAEHM CN(CCCNC(=O)c1cc(=O)[n-]c(C2CC2)n1)C(=O)[C@]12C[C@H]1COC2 ZINC001294141359 1262726935 /nfs/dbraw/zinc/72/69/35/1262726935.db2.gz MBZDRYPCJKRJNL-SGTLLEGYSA-N -1 3 360.414 0.674 10 0 FCAEHM Cc1cc(C=O)c([O-])c(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC001295385364 1262764874 /nfs/dbraw/zinc/76/48/74/1262764874.db2.gz TWAAPVMJSQWLRX-MRXNPFEDSA-N -1 3 359.426 0.892 10 0 FCAEHM O=C(NCc1cccc(N2CCOCC2)n1)c1ccc(-c2nnn[n-]2)cn1 ZINC001296793471 1262837215 /nfs/dbraw/zinc/83/72/15/1262837215.db2.gz YDAFHAZSFZOLFE-UHFFFAOYSA-N -1 3 366.385 0.423 10 0 FCAEHM O=C(NCc1cccc(N2CCOCC2)n1)c1ccc(-c2nn[n-]n2)cn1 ZINC001296793471 1262837219 /nfs/dbraw/zinc/83/72/19/1262837219.db2.gz YDAFHAZSFZOLFE-UHFFFAOYSA-N -1 3 366.385 0.423 10 0 FCAEHM CC[C@@H](CNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)NC(=O)[C@]12C[C@H]1COC2 ZINC001297458714 1262870560 /nfs/dbraw/zinc/87/05/60/1262870560.db2.gz XLNPXXZAAXCKJD-ZKTNFTSUSA-N -1 3 371.393 0.231 10 0 FCAEHM CC[C@@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NC(=O)c1c(C)nc[n-]c1=O ZINC001297456020 1262870664 /nfs/dbraw/zinc/87/06/64/1262870664.db2.gz PFEVSKJHANIWMI-VPLWTHEFSA-N -1 3 360.414 0.539 10 0 FCAEHM CC(C)NC(=O)c1cnn2c1C[C@H](CNC(=O)c1cnncc1[O-])CC2 ZINC001297663414 1262887031 /nfs/dbraw/zinc/88/70/31/1262887031.db2.gz PJVMXSHUAZYLFL-LLVKDONJSA-N -1 3 358.402 0.509 10 0 FCAEHM CC(C)[C@@H](CNC(=O)c1cnc[n-]c1=O)NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001297986034 1262903370 /nfs/dbraw/zinc/90/33/70/1262903370.db2.gz RDXNVZCGJSPSMY-DDHJSBNISA-N -1 3 362.430 0.868 10 0 FCAEHM O=C(N[C@@H](CO)c1cccnc1)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001299580409 1262969270 /nfs/dbraw/zinc/96/92/70/1262969270.db2.gz PJFHMUMPMCWEIB-AWEZNQCLSA-N -1 3 370.340 0.732 10 0 FCAEHM O=C(N[C@@H](CO)c1cccnc1)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001299580409 1262969276 /nfs/dbraw/zinc/96/92/76/1262969276.db2.gz PJFHMUMPMCWEIB-AWEZNQCLSA-N -1 3 370.340 0.732 10 0 FCAEHM O=C(NCCN1CCN(c2ncccn2)CC1)c1cnc(C2CC2)[n-]c1=O ZINC001301166969 1263001770 /nfs/dbraw/zinc/00/17/70/1263001770.db2.gz IYDSXBXQQJWTCE-UHFFFAOYSA-N -1 3 369.429 0.402 10 0 FCAEHM COC(=O)CC1CCN(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)CC1 ZINC001479508645 1263234897 /nfs/dbraw/zinc/23/48/97/1263234897.db2.gz PTIMPJHUCXGHEV-ZDUSSCGKSA-N -1 3 363.418 0.746 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)c2ccccc2[O-])CCN1CC(=O)NC[C@H]1CCCO1 ZINC001479697870 1263347898 /nfs/dbraw/zinc/34/78/98/1263347898.db2.gz ILZQIUDRTCGHTQ-FMKPAKJESA-N -1 3 361.442 0.880 10 0 FCAEHM CCNC(=O)CC(=O)N[C@H]1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)[C@@H]1C ZINC001479704146 1263356481 /nfs/dbraw/zinc/35/64/81/1263356481.db2.gz OKPMEOBOCTZHNM-RISCZKNCSA-N -1 3 361.446 0.665 10 0 FCAEHM Cc1ncoc1CN1CC[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)[C@H]1C ZINC001316795278 1263484541 /nfs/dbraw/zinc/48/45/41/1263484541.db2.gz FFWVMKOGWMGJQO-OLZOCXBDSA-N -1 3 361.402 0.002 10 0 FCAEHM CN(CCNCc1cc(=O)n2[n-]ccc2n1)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001317613309 1263518747 /nfs/dbraw/zinc/51/87/47/1263518747.db2.gz ZZAJCMIXQQVBOU-RVSPLBMKSA-N -1 3 359.430 0.386 10 0 FCAEHM CC[C@@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)NCc1cc(=O)n2[n-]ccc2n1 ZINC001318547303 1263585358 /nfs/dbraw/zinc/58/53/58/1263585358.db2.gz CKWSJULHTNLNDM-BWQRHGBYSA-N -1 3 373.457 0.822 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)N(C)[C@@H](C)CNCc1cc(=O)n2[n-]ccc2n1 ZINC001319477905 1263697974 /nfs/dbraw/zinc/69/79/74/1263697974.db2.gz XGSPGXIDXAKNAI-AHIWAGSCSA-N -1 3 361.446 0.774 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)NCCN(C)C(=O)CCc1c(C)nc[n-]c1=O ZINC001496390433 1263877571 /nfs/dbraw/zinc/87/75/71/1263877571.db2.gz VASLTFMRQKJDSE-CABCVRRESA-N -1 3 364.446 0.813 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NC[C@H](O)CNC(=O)c1nnc2ccccc2c1[O-] ZINC001501611551 1264141989 /nfs/dbraw/zinc/14/19/89/1264141989.db2.gz DWTXWEMPIGGIQS-NTZNESFSSA-N -1 3 358.398 0.588 10 0 FCAEHM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001502181426 1264163204 /nfs/dbraw/zinc/16/32/04/1264163204.db2.gz WLNZEMJLMZRLNZ-YUSALJHKSA-N -1 3 370.413 0.821 10 0 FCAEHM CC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CN(C(=O)c3ccccc3[O-])C[C@H]21 ZINC001512858972 1264698132 /nfs/dbraw/zinc/69/81/32/1264698132.db2.gz AFZNJKQJROHVNI-CWRNSKLLSA-N -1 3 359.426 0.980 10 0 FCAEHM CC/C(C)=C\C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nnc3ccccc3c2[O-])C1 ZINC001513077548 1264917663 /nfs/dbraw/zinc/91/76/63/1264917663.db2.gz DTZZMVWBBKTLML-TYJMOYENSA-N -1 3 370.409 0.993 10 0 FCAEHM CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001326240175 1265082177 /nfs/dbraw/zinc/08/21/77/1265082177.db2.gz LPCLNPNNDJCDOC-CYBMUJFWSA-N -1 3 369.462 0.221 10 0 FCAEHM CC1(CC(=O)N[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@@H]2O)CCCCC1 ZINC001513580050 1265227754 /nfs/dbraw/zinc/22/77/54/1265227754.db2.gz UYNCORBSQXMSPA-KGLIPLIRSA-N -1 3 362.430 0.844 10 0 FCAEHM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@@H]1CCn2ccnc21 ZINC001522663559 1266571200 /nfs/dbraw/zinc/57/12/00/1266571200.db2.gz GYQDQZWHQYKCGX-CQSZACIVSA-N -1 3 372.429 0.718 10 0 FCAEHM COC(=O)c1[n-]cnc1NC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC001525802293 1266768561 /nfs/dbraw/zinc/76/85/61/1266768561.db2.gz DXRGYDJYBNPSAA-NSHDSACASA-N -1 3 356.338 0.654 10 0 FCAEHM COC(=O)c1nc[n-]c1NC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC001525802293 1266768571 /nfs/dbraw/zinc/76/85/71/1266768571.db2.gz DXRGYDJYBNPSAA-NSHDSACASA-N -1 3 356.338 0.654 10 0 FCAEHM CO[C@H](C(=O)[O-])C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC001334026003 1266785976 /nfs/dbraw/zinc/78/59/76/1266785976.db2.gz RPUXVJVNFHOMBS-CABCVRRESA-N -1 3 363.414 0.891 10 0 FCAEHM C[C@H]1CN(c2nnc(-c3nnc(Cl)[n-]3)n2CC2CC2)CC(=O)N1C ZINC001527809941 1266925740 /nfs/dbraw/zinc/92/57/40/1266925740.db2.gz BUWZINVQFVHSFR-QMMMGPOBSA-N -1 3 350.814 0.794 10 0 FCAEHM C[C@H]1CN(c2nnc(-c3n[n-]c(Cl)n3)n2CC2CC2)CC(=O)N1C ZINC001527809941 1266925749 /nfs/dbraw/zinc/92/57/49/1266925749.db2.gz BUWZINVQFVHSFR-QMMMGPOBSA-N -1 3 350.814 0.794 10 0 FCAEHM CC(C)(C)[N-]S(=O)(=O)c1cnc(NC(=O)CO[C@@H]2CCOC2)s1 ZINC001532193222 1267161129 /nfs/dbraw/zinc/16/11/29/1267161129.db2.gz ZRIMOCFLVZQOJW-SECBINFHSA-N -1 3 363.461 0.964 10 0 FCAEHM Cc1cccnc1C(F)(F)C(=O)[N-]C1(C(N)=O)CCS(=O)(=O)CC1 ZINC001532671795 1267180451 /nfs/dbraw/zinc/18/04/51/1267180451.db2.gz NORUWKPXPDBXFH-UHFFFAOYSA-N -1 3 361.370 0.031 10 0 FCAEHM Cn1ccn2c(C[N-]C(=O)C(F)(F)c3ccccc3F)nnc2c1=O ZINC001533948851 1267246998 /nfs/dbraw/zinc/24/69/98/1267246998.db2.gz PLSLNMAVJPAKCE-UHFFFAOYSA-N -1 3 351.288 0.975 10 0 FCAEHM CCN1CCN(C[C@@H](C)CNC(=O)CCCn2ccc(C(=O)[O-])n2)CC1 ZINC001335018283 1267281906 /nfs/dbraw/zinc/28/19/06/1267281906.db2.gz NNTPEQLDJOKCIR-HNNXBMFYSA-N -1 3 365.478 0.751 10 0 FCAEHM Cn1cc(N2C[C@H](C(=O)N3CCCc4c(=O)[n-]cnc43)CCC2=O)cn1 ZINC001535579991 1267301970 /nfs/dbraw/zinc/30/19/70/1267301970.db2.gz YOMBDLMYYDCWBB-LLVKDONJSA-N -1 3 356.386 0.638 10 0 FCAEHM CCO[N-]C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001540568077 1267453487 /nfs/dbraw/zinc/45/34/87/1267453487.db2.gz MGQGWRCWNGYBFH-WOPDTQHZSA-N -1 3 362.448 0.724 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCNC(=O)[C@@H]2CC(=O)OC)c1 ZINC001543740210 1267558556 /nfs/dbraw/zinc/55/85/56/1267558556.db2.gz LMMFNCFCIKGQNH-LBPRGKRZSA-N -1 3 361.354 0.020 10 0 FCAEHM C[C@H](Cn1cncn1)NC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001544660758 1267589517 /nfs/dbraw/zinc/58/95/17/1267589517.db2.gz WNWNLCIXGPEVPU-SNVBAGLBSA-N -1 3 358.333 0.284 10 0 FCAEHM C[C@H](Cn1cncn1)NC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001544660758 1267589519 /nfs/dbraw/zinc/58/95/19/1267589519.db2.gz WNWNLCIXGPEVPU-SNVBAGLBSA-N -1 3 358.333 0.284 10 0 FCAEHM O=C([O-])CC[C@@H]1C[C@@H](C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CO1 ZINC001339151441 1268175539 /nfs/dbraw/zinc/17/55/39/1268175539.db2.gz KFPVJXQMVDETGO-HUUCEWRRSA-N -1 3 367.446 0.023 10 0 FCAEHM CS[C@H](C)CC(=O)N1C[C@@H]2CCN(C(=O)c3cnc[n-]c3=O)[C@@H]2C1 ZINC001341065736 1268769617 /nfs/dbraw/zinc/76/96/17/1268769617.db2.gz UBAQEFROMHZAMC-NTZNESFSSA-N -1 3 350.444 0.997 10 0 FCAEHM CNC(=O)COc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)c(C)c1 ZINC001556367273 1268849117 /nfs/dbraw/zinc/84/91/17/1268849117.db2.gz ZUJGYRSDLUAOKZ-UHFFFAOYSA-N -1 3 367.369 0.947 10 0 FCAEHM CNC(=O)COc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)c(C)c1 ZINC001556367273 1268849126 /nfs/dbraw/zinc/84/91/26/1268849126.db2.gz ZUJGYRSDLUAOKZ-UHFFFAOYSA-N -1 3 367.369 0.947 10 0 FCAEHM Nc1cc(Br)cc(C(=O)NCCCc2cc(=O)[nH][n-]2)c1N ZINC001556867920 1268900629 /nfs/dbraw/zinc/90/06/29/1268900629.db2.gz DQNISIJQZXLGPF-UHFFFAOYSA-N -1 3 354.208 0.999 10 0 FCAEHM COc1ccc(CNC(=O)C=CC(=O)NCc2cc(=O)[n-]c(=S)[nH]2)cc1 ZINC001557318857 1268942663 /nfs/dbraw/zinc/94/26/63/1268942663.db2.gz NFZLQBMLYTUFTA-SREVYHEPSA-N -1 3 374.422 0.968 10 0 FCAEHM CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1nc(C)cc(=O)[n-]1 ZINC001557322094 1268943552 /nfs/dbraw/zinc/94/35/52/1268943552.db2.gz WXGDNZZHNMXGRP-LBPRGKRZSA-N -1 3 368.390 0.563 10 0 FCAEHM Cc1cc(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)cc(S(N)(=O)=O)c1C ZINC001557320804 1268944160 /nfs/dbraw/zinc/94/41/60/1268944160.db2.gz LHDWLHOCXAJXIC-UHFFFAOYSA-N -1 3 368.440 0.665 10 0 FCAEHM CON(C)S(=O)(=O)c1cccc(C(=O)NCCCc2c[n-][nH]c2=O)c1 ZINC001557702576 1268967812 /nfs/dbraw/zinc/96/78/12/1268967812.db2.gz XBFDAIBRZNEOBG-GFCCVEGCSA-N -1 3 368.415 0.110 10 0 FCAEHM CS(=O)(=O)c1ccc(Cl)c(C(=O)NCCCc2c[n-][nH]c2=O)c1 ZINC001557701959 1268968148 /nfs/dbraw/zinc/96/81/48/1268968148.db2.gz QLJNBJQPVSRDJN-SECBINFHSA-N -1 3 357.819 0.985 10 0 FCAEHM CC(C)(C)OC(=O)C1(C(=O)NCCCc2c[n-][nH]c2=O)CCOCC1 ZINC001557701188 1268968559 /nfs/dbraw/zinc/96/85/59/1268968559.db2.gz LEKRKITUNRCEPP-LBPRGKRZSA-N -1 3 353.419 0.753 10 0 FCAEHM NC(=O)[C@@H]1CCCN(c2ccc(C(=O)NCCCc3c[n-][nH]c3=O)cc2)C1 ZINC001557701210 1268968660 /nfs/dbraw/zinc/96/86/60/1268968660.db2.gz GWWHDOZWCCRFEW-LSDHHAIUSA-N -1 3 371.441 0.630 10 0 FCAEHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)CCN1C(=O)[C@H]3CCCC[C@@H]3C1=O)C2 ZINC001557741286 1268972495 /nfs/dbraw/zinc/97/24/95/1268972495.db2.gz KNZPUGUAXFWWTN-RYUDHWBXSA-N -1 3 358.398 0.898 10 0 FCAEHM O=C([N-]n1ccc(=O)[nH]c1=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC001557736935 1268973080 /nfs/dbraw/zinc/97/30/80/1268973080.db2.gz WYPOKMQCIKKWMD-UHFFFAOYSA-N -1 3 363.273 0.626 10 0 FCAEHM COC(=O)[C@H](CC1OCCO1)NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC001558046572 1269011781 /nfs/dbraw/zinc/01/17/81/1269011781.db2.gz JNKSLANLGSZWFZ-LBPRGKRZSA-N -1 3 352.343 0.385 10 0 FCAEHM CC(C)OC(=O)c1cc(NC(=O)[C@H](C)S(=O)(=O)C2CCOCC2)[n-]n1 ZINC001558559501 1269114126 /nfs/dbraw/zinc/11/41/26/1269114126.db2.gz FLAFDDPUKVHFOO-JTQLQIEISA-N -1 3 373.431 0.896 10 0 FCAEHM CC(C)OC(=O)c1cc(NC(=O)[C@H](C)S(=O)(=O)C2CCOCC2)n[n-]1 ZINC001558559501 1269114130 /nfs/dbraw/zinc/11/41/30/1269114130.db2.gz FLAFDDPUKVHFOO-JTQLQIEISA-N -1 3 373.431 0.896 10 0 FCAEHM CC(C)OC(=O)c1cc(NC(=O)[C@H]2C[C@@H](O)CN2c2ccncn2)[n-]n1 ZINC001558560029 1269114143 /nfs/dbraw/zinc/11/41/43/1269114143.db2.gz OHOJMWKTIYAQBD-ZYHUDNBSSA-N -1 3 360.374 0.343 10 0 FCAEHM CC(C)OC(=O)c1cc(NC(=O)[C@H]2C[C@@H](O)CN2c2ccncn2)n[n-]1 ZINC001558560029 1269114147 /nfs/dbraw/zinc/11/41/47/1269114147.db2.gz OHOJMWKTIYAQBD-ZYHUDNBSSA-N -1 3 360.374 0.343 10 0 FCAEHM COC(=O)c1cccn(CC(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)c1=O ZINC001558576014 1269115959 /nfs/dbraw/zinc/11/59/59/1269115959.db2.gz XTRNLOZYNLQNEW-ZETCQYMHSA-N -1 3 373.291 0.649 10 0 FCAEHM Nc1nc(C2CC2)nc(N2CCN(CCC[N-]C(=O)C(F)(F)F)CC2)n1 ZINC001560181174 1269194156 /nfs/dbraw/zinc/19/41/56/1269194156.db2.gz PMVITDRHJAZZAQ-UHFFFAOYSA-N -1 3 373.383 0.522 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)Cc1cccc(NS(C)(=O)=O)c1 ZINC001565611705 1269482019 /nfs/dbraw/zinc/48/20/19/1269482019.db2.gz OTEKNJPMGYVOIJ-CYBMUJFWSA-N -1 3 352.416 0.229 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C1=NO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001565612190 1269482462 /nfs/dbraw/zinc/48/24/62/1269482462.db2.gz GCSYXRVTGQUPCR-GHMZBOCLSA-N -1 3 367.406 0.284 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)[C@H]2CC[C@H](Nc3cnccn3)CC2)n[n-]1 ZINC001565932290 1269524485 /nfs/dbraw/zinc/52/44/85/1269524485.db2.gz CKPFWYKEMRBMMN-XYPYZODXSA-N -1 3 359.390 0.920 10 0 FCAEHM C[C@H](CC(N)=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001566641490 1269652667 /nfs/dbraw/zinc/65/26/67/1269652667.db2.gz PLUKKIFXDAVBFU-SSDOTTSWSA-N -1 3 353.853 0.308 10 0 FCAEHM O=C(NCCc1ccc(=O)[nH]c1)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001568756914 1269747054 /nfs/dbraw/zinc/74/70/54/1269747054.db2.gz AYWGTCLTISCYRR-UHFFFAOYSA-N -1 3 370.340 0.947 10 0 FCAEHM O=C(NCCc1ccc(=O)[nH]c1)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001568756914 1269747059 /nfs/dbraw/zinc/74/70/59/1269747059.db2.gz AYWGTCLTISCYRR-UHFFFAOYSA-N -1 3 370.340 0.947 10 0 FCAEHM COC[C@@H](OC)C(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1OC ZINC001343092461 1269766662 /nfs/dbraw/zinc/76/66/62/1269766662.db2.gz BWYBBPYPMVIHND-BPLDGKMQSA-N -1 3 352.387 0.009 10 0 FCAEHM COCCC(=O)N1C[C@H]2CCN(C(=O)c3ccc4c(c3)C(=O)[N-]C4=O)C[C@H]21 ZINC001343775424 1270007222 /nfs/dbraw/zinc/00/72/22/1270007222.db2.gz OUQUZBVYFJHIAG-IUODEOHRSA-N -1 3 371.393 0.280 10 0 FCAEHM Cc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@H](CO)CNC(=O)c1cnc[n-]c1=O ZINC001572335396 1270039003 /nfs/dbraw/zinc/03/90/03/1270039003.db2.gz RJFLRHZVRGFZCC-AEGPPILISA-N -1 3 370.409 0.501 10 0 FCAEHM CCNC(=O)CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cnc[n-]c1=O ZINC001344051327 1270083495 /nfs/dbraw/zinc/08/34/95/1270083495.db2.gz FZNNJPAEMXBMTM-CHWSQXEVSA-N -1 3 363.418 0.256 10 0 FCAEHM O=C(NCC1(CCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1)c1cnc[n-]c1=O ZINC001572717405 1270112216 /nfs/dbraw/zinc/11/22/16/1270112216.db2.gz CRBWOGSSFKBCRH-MIBAYGRRSA-N -1 3 372.425 0.622 10 0 FCAEHM O=C(CN1CCCCCC1=O)NC[C@H]1CC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC001344324535 1270150569 /nfs/dbraw/zinc/15/05/69/1270150569.db2.gz JMEHHSCAEABNOW-QWHCGFSZSA-N -1 3 362.434 0.222 10 0 FCAEHM CCCC[C@](C)(F)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1O ZINC001572830088 1270211998 /nfs/dbraw/zinc/21/19/98/1270211998.db2.gz OFAWFSQFIRFZQD-HSMVNMDESA-N -1 3 354.382 0.402 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](C)[C@H](NC(=O)COC(C)(C)C)C1 ZINC001572884710 1270297450 /nfs/dbraw/zinc/29/74/50/1270297450.db2.gz FPALUYJZJARUFY-ZYHUDNBSSA-N -1 3 350.419 0.882 10 0 FCAEHM CC[C@H](SC)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1OC ZINC001572945590 1270380603 /nfs/dbraw/zinc/38/06/03/1270380603.db2.gz SINUWVGPENIHMU-UTUOFQBUSA-N -1 3 354.432 0.279 10 0 FCAEHM CO[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1NC(=O)C1(CCF)CC1 ZINC001572959912 1270411349 /nfs/dbraw/zinc/41/13/49/1270411349.db2.gz RKMGRRKDMWJBEW-VXGBXAGGSA-N -1 3 352.366 0.278 10 0 FCAEHM C[C@@H](CC(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccccc2[O-])C1)NC(N)=O ZINC001573160155 1270620823 /nfs/dbraw/zinc/62/08/23/1270620823.db2.gz XTIPTARAGHLVEJ-RWMBFGLXSA-N -1 3 362.430 0.854 10 0 FCAEHM CCN(CC)C(=O)CCC(=O)NC[C@H]1CC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC001573176984 1270634431 /nfs/dbraw/zinc/63/44/31/1270634431.db2.gz BNMNZEJOTBLASA-QWHCGFSZSA-N -1 3 364.450 0.468 10 0 FCAEHM O=C(COCc1cccnc1)NC[C@H]1CC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC001573188671 1270647241 /nfs/dbraw/zinc/64/72/41/1270647241.db2.gz IFEYOGVXGOAGSO-GXTWGEPZSA-N -1 3 358.402 0.431 10 0 FCAEHM CCC[C@H](C)C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@]23C[C@H]2COC3)n1 ZINC001573248968 1270709249 /nfs/dbraw/zinc/70/92/49/1270709249.db2.gz KPULNMUGHSEAEY-PZROIBLQSA-N -1 3 362.430 0.887 10 0 FCAEHM COCCCCC(=O)NC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001573800023 1270885491 /nfs/dbraw/zinc/88/54/91/1270885491.db2.gz RQLZJLLDCIWLHZ-CHWSQXEVSA-N -1 3 350.419 0.823 10 0 FCAEHM COCCOCC(=O)NC[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC001573804787 1270886477 /nfs/dbraw/zinc/88/64/77/1270886477.db2.gz DMAKHAGOAXIMAF-ZIAGYGMSSA-N -1 3 350.415 0.880 10 0 FCAEHM O=C(CC1CCCC1)NCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn[n-]n1)C2 ZINC001574294928 1271170237 /nfs/dbraw/zinc/17/02/37/1271170237.db2.gz LQMZIFNNBDRPTI-IPYPFGDCSA-N -1 3 374.445 0.363 10 0 FCAEHM O=C(CCc1cn[nH]c1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O ZINC001574470006 1271287335 /nfs/dbraw/zinc/28/73/35/1271287335.db2.gz UTUFNUJVDQHIHG-BNOWGMLFSA-N -1 3 356.386 0.400 10 0 FCAEHM O=C(CCOC[C@H]1CCCO1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn[n-]n1)C2 ZINC001574514584 1271298216 /nfs/dbraw/zinc/29/82/16/1271298216.db2.gz LRGLSHCNKFXJQS-BHPKHCPMSA-N -1 3 363.418 0.252 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)NCCCN(C)C(=O)c1c(C)nc[n-]c1=O ZINC001577257213 1274285193 /nfs/dbraw/zinc/28/51/93/1274285193.db2.gz QPMGPYFFMLDCJR-OLZOCXBDSA-N -1 3 350.419 0.884 10 0 FCAEHM Cn1[n-]c(CNC[C@@H](NC(=O)[C@]23C[C@H]2COC3)C2CCCCC2)nc1=O ZINC001715398316 1287352540 /nfs/dbraw/zinc/35/25/40/1287352540.db2.gz HOOUEVKLRVLHER-IYOUNJFTSA-N -1 3 363.462 0.300 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@H](C)CCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001718433264 1287502227 /nfs/dbraw/zinc/50/22/27/1287502227.db2.gz KIBFQGNYPNDUHC-KTUBUYFOSA-N -1 3 374.441 0.929 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)N[C@H](CO)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC001718627641 1287538894 /nfs/dbraw/zinc/53/88/94/1287538894.db2.gz RKBKISXDLHRWSF-MBNYWOFBSA-N -1 3 357.410 0.781 10 0 FCAEHM C[C@]1(c2cccc(C(=O)N3CC[C@H](c4cc(=O)[nH][n-]4)C3)c2)NC(=O)NC1=O ZINC001583357308 1282082383 /nfs/dbraw/zinc/08/23/83/1282082383.db2.gz HOOIASXQNBTSSJ-BBATYDOGSA-N -1 3 369.381 0.800 10 0 FCAEHM C[C@H](C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1)S(=O)(=O)C1CCOCC1 ZINC001583357372 1282082762 /nfs/dbraw/zinc/08/27/62/1282082762.db2.gz IZLKTUNHVLBVPA-MNOVXSKESA-N -1 3 357.432 0.414 10 0 FCAEHM C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001583359109 1282082778 /nfs/dbraw/zinc/08/27/78/1282082778.db2.gz XUYRLSSHGJTZKX-NVBFEUDRSA-N -1 3 350.419 0.487 10 0 FCAEHM O=C(c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)N1CC[C@@H](O)[C@@H](O)C1 ZINC001632216341 1282162837 /nfs/dbraw/zinc/16/28/37/1282162837.db2.gz ZTFUGOYEVKQJPO-MNOVXSKESA-N -1 3 372.299 0.994 10 0 FCAEHM CCN(CC)S(=O)(=O)c1ccc(O)c([N-]C(=O)c2nnn(C)n2)c1 ZINC001632566562 1282186402 /nfs/dbraw/zinc/18/64/02/1282186402.db2.gz KZVOQKJGOXUAMT-UHFFFAOYSA-N -1 3 354.392 0.199 10 0 FCAEHM CN(CCn1cnnc1)C(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001633673126 1282264668 /nfs/dbraw/zinc/26/46/68/1282264668.db2.gz SQBJOUYEJVWMKL-UHFFFAOYSA-N -1 3 358.333 0.238 10 0 FCAEHM CN(CCn1cnnc1)C(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001633673126 1282264676 /nfs/dbraw/zinc/26/46/76/1282264676.db2.gz SQBJOUYEJVWMKL-UHFFFAOYSA-N -1 3 358.333 0.238 10 0 FCAEHM O=C(c1c[n-]c2cc(F)c(F)cc2c1=O)N(CCO)CCOCCO ZINC001586016880 1282267748 /nfs/dbraw/zinc/26/77/48/1282267748.db2.gz XDGIBVJLLFFOAM-UHFFFAOYSA-N -1 3 356.325 0.250 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)c1 ZINC001586137450 1282277429 /nfs/dbraw/zinc/27/74/29/1282277429.db2.gz CRIQXOQAGHZPPX-LBPRGKRZSA-N -1 3 367.427 0.671 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)c1 ZINC001634126249 1282301868 /nfs/dbraw/zinc/30/18/68/1282301868.db2.gz BBVVZQXKNTUNGO-CQSZACIVSA-N -1 3 369.381 0.786 10 0 FCAEHM Cc1cccc(CS(=O)(=O)CCC(=O)NCCCc2c[n-][nH]c2=O)c1 ZINC001634143096 1282303319 /nfs/dbraw/zinc/30/33/19/1282303319.db2.gz DTEMRXRWLOEJIN-OAHLLOKOSA-N -1 3 365.455 0.928 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC1=NCC(=O)N1C ZINC001634187082 1282307575 /nfs/dbraw/zinc/30/75/75/1282307575.db2.gz SPHNQEKUHLSRIF-UHFFFAOYSA-N -1 3 354.370 0.017 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCCC(=O)NCCC(=O)OC)c1 ZINC001586978699 1282322716 /nfs/dbraw/zinc/32/27/16/1282322716.db2.gz CDIAORFLTNWGHF-UHFFFAOYSA-N -1 3 363.370 0.316 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCC[C@@H](NC(=O)COCc3cc[nH]c(=O)c3)C2)n1 ZINC001634675180 1282344691 /nfs/dbraw/zinc/34/46/91/1282344691.db2.gz UKAHOXDFZOQVAO-CQSZACIVSA-N -1 3 373.413 0.893 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)NC[C@H]1C[C@@H](O)C1 ZINC001634700195 1282348418 /nfs/dbraw/zinc/34/84/18/1282348418.db2.gz DJERGIYQVLTVKQ-JGZJWPJOSA-N -1 3 363.386 0.313 10 0 FCAEHM Cc1cc(C)nc(-n2[n-]c(C(=O)NC[C@H]3CCCCN3CCO)cc2=O)n1 ZINC001636134921 1282462790 /nfs/dbraw/zinc/46/27/90/1282462790.db2.gz MMTNDCGLAHLKOM-CQSZACIVSA-N -1 3 374.445 0.149 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)N(C)C[C@H](O)CN(C)C(=O)c1c(C)nc[n-]c1=O ZINC001718785983 1287577536 /nfs/dbraw/zinc/57/75/36/1287577536.db2.gz XMSFHUZDOFRJCU-FRRDWIJNSA-N -1 3 350.419 0.428 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccccc1Cn1cncn1 ZINC001636854482 1282542265 /nfs/dbraw/zinc/54/22/65/1282542265.db2.gz BVWAIUORTLSUDF-AWEZNQCLSA-N -1 3 365.397 0.831 10 0 FCAEHM CCCCCS(=O)(=O)CC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001636855954 1282544070 /nfs/dbraw/zinc/54/40/70/1282544070.db2.gz WCKOHNVKXJFELP-GFCCVEGCSA-N -1 3 356.448 0.482 10 0 FCAEHM COc1ccc(C(=O)N2CCC(Cc3nnn[n-]3)CC2)cc1OCCO ZINC001637152257 1282569462 /nfs/dbraw/zinc/56/94/62/1282569462.db2.gz OWILWFJDYACXPN-UHFFFAOYSA-N -1 3 361.402 0.674 10 0 FCAEHM COc1ccc(C(=O)N2CCC(Cc3nn[n-]n3)CC2)cc1OCCO ZINC001637152257 1282569474 /nfs/dbraw/zinc/56/94/74/1282569474.db2.gz OWILWFJDYACXPN-UHFFFAOYSA-N -1 3 361.402 0.674 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCCN(C)CCS(C)(=O)=O)c1 ZINC001637169842 1282573337 /nfs/dbraw/zinc/57/33/37/1282573337.db2.gz BQORTQUBHITNAE-UHFFFAOYSA-N -1 3 369.443 0.223 10 0 FCAEHM COCCN(CCNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)C(=O)c1cnc[n-]c1=O ZINC001718824358 1287585898 /nfs/dbraw/zinc/58/58/98/1287585898.db2.gz AZOQDOSERIIENO-QLFBSQMISA-N -1 3 374.441 0.989 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)c3cccc(OCC(N)=O)c3)CC2)n1 ZINC001638488329 1282701103 /nfs/dbraw/zinc/70/11/03/1282701103.db2.gz FIZNMTCIRIVLBB-UHFFFAOYSA-N -1 3 371.397 0.317 10 0 FCAEHM COc1ccnc(OC)c1C(=O)N1CCN(c2nc(C)cc(=O)[n-]2)CC1 ZINC001638493305 1282702879 /nfs/dbraw/zinc/70/28/79/1282702879.db2.gz PHYLMDRJOWLVMN-UHFFFAOYSA-N -1 3 359.386 0.865 10 0 FCAEHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)[C@@H]1CCS(=O)(=O)N1 ZINC001640048780 1282836290 /nfs/dbraw/zinc/83/62/90/1282836290.db2.gz OZSFQRDMIKTYKV-NSHDSACASA-N -1 3 364.383 0.397 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1sccc1-n1ccnn1 ZINC001640110313 1282839430 /nfs/dbraw/zinc/83/94/30/1282839430.db2.gz OJZQAVVSDMIXJS-SNVBAGLBSA-N -1 3 357.399 0.833 10 0 FCAEHM COC(=O)c1ccc(CC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1 ZINC001640110922 1282841322 /nfs/dbraw/zinc/84/13/22/1282841322.db2.gz ZPWOUTRMAYNQTQ-CQSZACIVSA-N -1 3 356.382 0.906 10 0 FCAEHM CCOC(=O)N1C[C@@H](CO)[C@@H](NC(=O)c2ccc(C(C)=O)c([O-])c2)C1 ZINC001640283649 1282851048 /nfs/dbraw/zinc/85/10/48/1282851048.db2.gz HEZKEPONVCNIKP-JSGCOSHPSA-N -1 3 350.371 0.774 10 0 FCAEHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)C1=CS(=O)(=O)CCC1 ZINC001640318394 1282854043 /nfs/dbraw/zinc/85/40/43/1282854043.db2.gz ZBTPTKXVFNVLJV-MNOVXSKESA-N -1 3 367.427 0.959 10 0 FCAEHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)[C@]1(C)C[C@H](O)CN1C ZINC001640315581 1282854165 /nfs/dbraw/zinc/85/41/65/1282854165.db2.gz MAUYXINIGZBRLI-QLQJRFMMSA-N -1 3 350.419 0.322 10 0 FCAEHM Cc1oc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)cc1S(=O)(=O)N(C)C ZINC001640594651 1282878975 /nfs/dbraw/zinc/87/89/75/1282878975.db2.gz GIMBGPVDESGQFO-JTQLQIEISA-N -1 3 368.415 0.897 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CC3(CO2)CCOCC3)c(C)o1 ZINC001642900223 1283047295 /nfs/dbraw/zinc/04/72/95/1283047295.db2.gz NNLPOERVAXXDMN-LBPRGKRZSA-N -1 3 372.443 0.812 10 0 FCAEHM CCO[C@H](C(=O)N1CC[C@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@H]21)C1CC1 ZINC001719057904 1287632231 /nfs/dbraw/zinc/63/22/31/1287632231.db2.gz MNXLQSFPNSEEKC-CFVMTHIKSA-N -1 3 360.414 0.670 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N(C)C[C@@H](C)NC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001680130987 1283395894 /nfs/dbraw/zinc/39/58/94/1283395894.db2.gz DMAOXYGIRUSIPC-YVLXSGLVSA-N -1 3 362.430 0.882 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NC[C@H](O)CN(C)C(=O)CCc1c(C)nc[n-]c1=O ZINC001680817661 1283448554 /nfs/dbraw/zinc/44/85/54/1283448554.db2.gz KOCIWXSJSSSSFP-VNHYZAJKSA-N -1 3 364.446 0.405 10 0 FCAEHM CC(=O)N[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cn[n-]n2)C1)C1CCCC1 ZINC001682968660 1283819595 /nfs/dbraw/zinc/81/95/95/1283819595.db2.gz BKGUQTDJWALVKP-KMUNFCNLSA-N -1 3 362.434 0.076 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1CC[C@@H]2CN(C(=O)CCOC(C)C)[C@@H]2C1 ZINC001683728364 1284100854 /nfs/dbraw/zinc/10/08/54/1284100854.db2.gz GNWZMVMBLVEWRY-ZIAGYGMSSA-N -1 3 362.430 0.979 10 0 FCAEHM COC(=O)NC1CCN(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)CC1 ZINC001684562687 1284202790 /nfs/dbraw/zinc/20/27/90/1284202790.db2.gz WMCQNFUXOGHBKN-GFCCVEGCSA-N -1 3 364.406 0.291 10 0 FCAEHM CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001684563011 1284203103 /nfs/dbraw/zinc/20/31/03/1284203103.db2.gz ZWSCPYKTJJKVHL-YNEHKIRRSA-N -1 3 367.450 0.218 10 0 FCAEHM CS(=O)(=O)CCC(=O)NC[C@H]1CC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001702541269 1285711508 /nfs/dbraw/zinc/71/15/08/1285711508.db2.gz OIMXTZYPHULNRG-QWHCGFSZSA-N -1 3 368.455 0.842 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)COCc1cc(C)on1 ZINC001702633847 1285763633 /nfs/dbraw/zinc/76/36/33/1285763633.db2.gz OJCHBSSABWYJNY-GXTWGEPZSA-N -1 3 362.390 0.427 10 0 FCAEHM CC(C)(C)OCC(=O)N1CC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@@H]2C1 ZINC001702666499 1285778889 /nfs/dbraw/zinc/77/88/89/1285778889.db2.gz HBLGGDQJKGCMPN-OLZOCXBDSA-N -1 3 362.430 0.918 10 0 FCAEHM COC[C@@H](C)C(=O)N1CC[C@@]2(CNC(=O)c3cnc[n-]c3=O)CCC[C@@H]12 ZINC001702869228 1285959036 /nfs/dbraw/zinc/95/90/36/1285959036.db2.gz KLZCTFMZEJGNKQ-RVZJWNSFSA-N -1 3 362.430 0.966 10 0 FCAEHM CNC(=O)NCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccccc1[O-] ZINC001702913963 1285989961 /nfs/dbraw/zinc/98/99/61/1285989961.db2.gz KYTFGNWPIJTDPH-XBFCOCLRSA-N -1 3 360.414 0.573 10 0 FCAEHM C[C@H](OCc1ccncc1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn[n-]n1)C2 ZINC001702929868 1286006724 /nfs/dbraw/zinc/00/67/24/1286006724.db2.gz VQFXAXRFYZNFRG-AEIGPULVSA-N -1 3 370.413 0.667 10 0 FCAEHM Cc1noc(CCC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cnc[n-]c2=O)n1 ZINC001702935970 1286009897 /nfs/dbraw/zinc/00/98/97/1286009897.db2.gz WZPNEDCGJNNYDJ-WXHSDQCUSA-N -1 3 372.385 0.368 10 0 FCAEHM COC[C@H](OC)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(C)nc[n-]c1=O)C2 ZINC001703009529 1286050990 /nfs/dbraw/zinc/05/09/90/1286050990.db2.gz UEAKHKOESDMOBE-NDBYEHHHSA-N -1 3 364.402 0.014 10 0 FCAEHM O=C(NC[C@H](NC(=O)[C@@H]1CCO[C@H]1C1CC1)C1CC1)c1cnc[n-]c1=O ZINC001703848251 1286153270 /nfs/dbraw/zinc/15/32/70/1286153270.db2.gz OMANWBAZEZTGCD-SNPRPXQTSA-N -1 3 360.414 0.622 10 0 FCAEHM CCN(CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(=O)c1c(C)nc[n-]c1=O ZINC001704289257 1286215261 /nfs/dbraw/zinc/21/52/61/1286215261.db2.gz SSWMYIMDYTXIRG-JYKNGBAOSA-N -1 3 360.414 0.492 10 0 FCAEHM CC(C)C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccnn1C)NC(=O)c1cn[n-]n1 ZINC001704798939 1286302650 /nfs/dbraw/zinc/30/26/50/1286302650.db2.gz GRPDZRNCGKSTGS-JHJVBQTASA-N -1 3 359.434 0.603 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)[C@@H]1CCCNC1=O ZINC001596982094 1286322875 /nfs/dbraw/zinc/32/28/75/1286322875.db2.gz HAJUVUPGYJUOOW-MRVPVSSYSA-N -1 3 365.864 0.322 10 0 FCAEHM O=C(CCn1c(=O)c2ccccc2[n-]c1=S)N1CC(N[C@H]2CCOC2)C1 ZINC001597701479 1286357559 /nfs/dbraw/zinc/35/75/59/1286357559.db2.gz QMEISWUMXVEUIO-LBPRGKRZSA-N -1 3 374.466 0.665 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CN(C(=O)[C@H](C)CC(C)(C)C)C[C@@H]1O ZINC001735951671 1289077792 /nfs/dbraw/zinc/07/77/92/1289077792.db2.gz OVFNYHIZINEKKZ-RTXFEEFZSA-N -1 3 364.446 0.864 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@H]1CCN(CC(=O)NC2CC2)[C@@H]1C ZINC001707255589 1287104786 /nfs/dbraw/zinc/10/47/86/1287104786.db2.gz FIDDOWZBVRGCGV-DOMZBBRYSA-N -1 3 361.446 0.281 10 0 FCAEHM CO[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2nnc3ccccc3c2[O-])C[C@H]1C ZINC001719158148 1287813641 /nfs/dbraw/zinc/81/36/41/1287813641.db2.gz VKYROSXDMHRGGF-JTNHKYCSSA-N -1 3 358.398 0.947 10 0 FCAEHM CNC(=O)C1(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3cccc4n[n-]nc43)C2)CC1 ZINC001719172304 1287825349 /nfs/dbraw/zinc/82/53/49/1287825349.db2.gz DEGCLVWKLJZOBN-ZWNOBZJWSA-N -1 3 370.413 0.061 10 0 FCAEHM CCOCCCC(=O)N1C[C@@H](NC(=O)c2cccc3n[n-]nc32)[C@@H](O)C1 ZINC001719275346 1287998874 /nfs/dbraw/zinc/99/88/74/1287998874.db2.gz AHINGKMPOSVPRU-KGLIPLIRSA-N -1 3 361.402 0.076 10 0 FCAEHM C[C@@H](CC(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@@H]1O)c1ccco1 ZINC001719292837 1288048566 /nfs/dbraw/zinc/04/85/66/1288048566.db2.gz AELCORVZJNKCFQ-UHTWSYAYSA-N -1 3 360.370 0.271 10 0 FCAEHM C[C@H](NC(=O)C(C)(C)C)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC001736113996 1289154425 /nfs/dbraw/zinc/15/44/25/1289154425.db2.gz HRTHTWZMJZWXFQ-SDDRHHMPSA-N -1 3 364.450 0.370 10 0 FCAEHM CCC(=O)N[C@@H](C)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2cnc[n-]c2=O)C1 ZINC001719455936 1288124833 /nfs/dbraw/zinc/12/48/33/1288124833.db2.gz PQPTYLJZLMCARG-SDDRHHMPSA-N -1 3 363.418 0.112 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CC[C@H](CNC(=O)Cn2ccnc2)C1 ZINC001719457768 1288126606 /nfs/dbraw/zinc/12/66/06/1288126606.db2.gz KZXYXTYIBMHFNY-QWHCGFSZSA-N -1 3 358.402 0.402 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)CCc2cnn[nH]2)CCN1C(=O)c1ncccc1[O-] ZINC001719561003 1288181472 /nfs/dbraw/zinc/18/14/72/1288181472.db2.gz CLYKUMPVIVRFPG-QWHCGFSZSA-N -1 3 358.402 0.647 10 0 FCAEHM C[C@H](CNC(=O)c1cc(=O)[n-]c(C2CC2)n1)CNC(=O)[C@]12C[C@H]1COC2 ZINC001721599266 1288354751 /nfs/dbraw/zinc/35/47/51/1288354751.db2.gz BJYAJUPHCRCKQO-MYFIVHGGSA-N -1 3 360.414 0.578 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)NC[C@H](NC(=O)c1cnc[n-]c1=O)C(C)C ZINC001721675834 1288365864 /nfs/dbraw/zinc/36/58/64/1288365864.db2.gz WRWUFKCXFSJRIG-XBFCOCLRSA-N -1 3 350.419 0.868 10 0 FCAEHM C[C@H](CNCc1cc(=O)n2[n-]ccc2n1)N(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001732431723 1288583551 /nfs/dbraw/zinc/58/35/51/1288583551.db2.gz SERFRUMZKWRAIH-BVWOBERRSA-N -1 3 371.441 0.383 10 0 FCAEHM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)N(C)C(=O)c1cnc[n-]c1=O ZINC001734773190 1288673247 /nfs/dbraw/zinc/67/32/47/1288673247.db2.gz IRJBDQUOJJFFGV-KWCYVHTRSA-N -1 3 355.398 0.958 10 0 FCAEHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)N(C)C(=O)c1cnc[n-]c1=O ZINC001734816903 1288679844 /nfs/dbraw/zinc/67/98/44/1288679844.db2.gz SFJWSOZBHPJNCX-WCFLWFBJSA-N -1 3 358.402 0.296 10 0 FCAEHM O=C(NC[C@@H](CO)NC(=O)[C@@H]1C[C@H]1c1ccncc1)c1ccccc1[O-] ZINC001735245428 1288709420 /nfs/dbraw/zinc/70/94/20/1288709420.db2.gz DIVWCWXCIZSLQO-CWRNSKLLSA-N -1 3 355.394 0.798 10 0 FCAEHM CN(C[C@H](O)CNC(=O)c1ccccc1[O-])C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001735418330 1288736363 /nfs/dbraw/zinc/73/63/63/1288736363.db2.gz YYBNIGRSDRSTJC-RPFJGJOJSA-N -1 3 360.410 0.365 10 0 FCAEHM CC[C@@H](F)C(=O)NCc1nc(CNC(=O)[C@H]2OCC[C@H]2CC)cc(=O)[n-]1 ZINC001736172127 1289187680 /nfs/dbraw/zinc/18/76/80/1289187680.db2.gz LSRKNDLWRUVYJO-HCKVZZMMSA-N -1 3 368.409 0.978 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N1CC[C@H](NC(=O)[C@H](O)C(C)C)[C@H]1C ZINC001736261947 1289227168 /nfs/dbraw/zinc/22/71/68/1289227168.db2.gz XYJFVAICUNVUSN-IVMMDQJWSA-N -1 3 364.446 0.546 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)CNC(=O)CC(C)(C)C ZINC001736277935 1289238573 /nfs/dbraw/zinc/23/85/73/1289238573.db2.gz BPVMGJRVTQKKMM-MNOVXSKESA-N -1 3 350.423 0.076 10 0 FCAEHM CC(C)(C)OCC(=O)N1C[C@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@@]2(C)C1 ZINC001736332924 1289260440 /nfs/dbraw/zinc/26/04/40/1289260440.db2.gz GQWPFKJISMLILM-KPZWWZAWSA-N -1 3 362.430 0.918 10 0 FCAEHM CCOCCn1cc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cn[n-]n2)C3)cn1 ZINC001736493873 1289392493 /nfs/dbraw/zinc/39/24/93/1289392493.db2.gz HWBWDARAHUXDJX-IPYPFGDCSA-N -1 3 373.417 0.213 10 0 FCAEHM CCO[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)c2cnc[n-]c2=O)C1 ZINC001736618091 1289482539 /nfs/dbraw/zinc/48/25/39/1289482539.db2.gz GCCWULHLBSLUHS-VBHSOAQHSA-N -1 3 362.430 0.966 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)NCCCN(CC)C(=O)c1cnc[n-]c1=O ZINC001737278669 1289525460 /nfs/dbraw/zinc/52/54/60/1289525460.db2.gz YDCKZRIVLYXXHK-OCCSQVGLSA-N -1 3 350.419 0.966 10 0 FCAEHM CSc1ncc(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)c(=O)[n-]1 ZINC001611093844 1289629690 /nfs/dbraw/zinc/62/96/90/1289629690.db2.gz GXPCDGSEJIFCDM-GFCCVEGCSA-N -1 3 367.475 0.577 10 0 FCAEHM COCCOC1(CNC(=O)CCc2c(C)nc[n-]c2=O)CCOCC1 ZINC001611342121 1289643099 /nfs/dbraw/zinc/64/30/99/1289643099.db2.gz SLCABKRKRMWKBD-UHFFFAOYSA-N -1 3 353.419 0.752 10 0 FCAEHM COCc1ncc2c(n1)CCN(C(=O)c1ccc3c(c1)C(=O)[N-]C3=O)C2 ZINC001611620327 1289662140 /nfs/dbraw/zinc/66/21/40/1289662140.db2.gz JORDMZLYVUCRGK-UHFFFAOYSA-N -1 3 352.350 0.705 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@@H](NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C(C)C ZINC001738336124 1289663485 /nfs/dbraw/zinc/66/34/85/1289663485.db2.gz IRVJSDITECFVMA-SYQHCUMBSA-N -1 3 362.430 0.929 10 0 FCAEHM O=C(CNC(=O)c1ccc([O-])cc1)N1CCCS(=O)(=O)C[C@@H]1C1CC1 ZINC001611671160 1289665753 /nfs/dbraw/zinc/66/57/53/1289665753.db2.gz MJCNJZGLMSSIRG-OAHLLOKOSA-N -1 3 366.439 0.548 10 0 FCAEHM O=C(N[C@H](CO)CNC(=O)[C@@H]1C[C@H]1c1ccncc1)c1ccccc1[O-] ZINC001701690759 1289682112 /nfs/dbraw/zinc/68/21/12/1289682112.db2.gz AXIYVDGSVCVRID-CWRNSKLLSA-N -1 3 355.394 0.798 10 0 FCAEHM O=C(N[C@H](CO)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)c1cccc2n[n-]nc21 ZINC001701708518 1289694696 /nfs/dbraw/zinc/69/46/96/1289694696.db2.gz SEWCLGPQXXCHRP-PWNZVWSESA-N -1 3 371.441 0.991 10 0 FCAEHM COCC[C@H](C)C(=O)N1C[C@@H]2CCN(C(=O)c3c(C)nc[n-]c3=O)[C@@H]2C1 ZINC001702145561 1289750436 /nfs/dbraw/zinc/75/04/36/1289750436.db2.gz ANHBHTWUJZZULL-FPMFFAJLSA-N -1 3 362.430 0.836 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C=Cc1cc2cnn(C(C)C)c2[nH]c1=O ZINC001615925557 1289764676 /nfs/dbraw/zinc/76/46/76/1289764676.db2.gz LQLAAASZKZEHEY-NNTXTVRGSA-N -1 3 370.413 0.947 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(F)c(S(=O)(=O)N(C)C)c1 ZINC001615962348 1289765931 /nfs/dbraw/zinc/76/59/31/1289765931.db2.gz AXBHRRLKDSOAMQ-LLVKDONJSA-N -1 3 370.406 0.318 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1c(Cl)cccc1S(C)(=O)=O ZINC001615962322 1289766088 /nfs/dbraw/zinc/76/60/88/1289766088.db2.gz ALPJIUKQRUDPPD-SECBINFHSA-N -1 3 357.819 0.985 10 0 FCAEHM CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NCCc1c(C)[n-][nH]c1=O ZINC001615925738 1289766175 /nfs/dbraw/zinc/76/61/75/1289766175.db2.gz NQRFLOULBZUYFJ-GWKFAAHWSA-N -1 3 352.460 0.872 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1nc(N(C)C)ncc1Br ZINC001615963694 1289766784 /nfs/dbraw/zinc/76/67/84/1289766784.db2.gz RANAJXFGLFWPLH-QMMMGPOBSA-N -1 3 369.223 0.547 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N(C)C[C@@H](O)CN(C)C(=O)[C@]12C[C@H]1CCC2 ZINC001739075764 1289795854 /nfs/dbraw/zinc/79/58/54/1289795854.db2.gz ODKFUFKVNHUSMM-SNUQEOBHSA-N -1 3 362.430 0.572 10 0 FCAEHM COC(=O)N1CCC([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001616827801 1289796240 /nfs/dbraw/zinc/79/62/40/1289796240.db2.gz MBFPJCCHQPXNGV-JTQLQIEISA-N -1 3 359.390 0.858 10 0 FCAEHM COC(=O)N1CCC([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001616827801 1289796242 /nfs/dbraw/zinc/79/62/42/1289796242.db2.gz MBFPJCCHQPXNGV-JTQLQIEISA-N -1 3 359.390 0.858 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)N(CCNC(=O)c1c(C)nc[n-]c1=O)CCOC ZINC001739118363 1289811454 /nfs/dbraw/zinc/81/14/54/1289811454.db2.gz LPCLUAULVDRBPJ-CHWSQXEVSA-N -1 3 350.419 0.742 10 0 FCAEHM CS[C@H](C)CC(=O)N1CC[C@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@H]21 ZINC001739371390 1289864007 /nfs/dbraw/zinc/86/40/07/1289864007.db2.gz YJOLZARVUFDFJJ-NTZNESFSSA-N -1 3 350.444 0.997 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C[C@H]1NC(=O)CC(C)(C)O ZINC001702243764 1289905199 /nfs/dbraw/zinc/90/51/99/1289905199.db2.gz LLTBVWDVIACMIL-ZWNOBZJWSA-N -1 3 362.430 0.797 10 0 FCAEHM CC(C)CC(=O)N[C@@H]1CN(C(=O)c2cc(=O)c3ccccc3[n-]2)C[C@H]1O ZINC001739394863 1289907037 /nfs/dbraw/zinc/90/70/37/1289907037.db2.gz GYECYAMJNUHALW-NVXWUHKLSA-N -1 3 357.410 0.876 10 0 FCAEHM C[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001702252927 1289914981 /nfs/dbraw/zinc/91/49/81/1289914981.db2.gz SJWMIPWASRCBRU-MISXGVKJSA-N -1 3 358.402 0.361 10 0 FCAEHM COC[C@H](C)C(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2c(C)nc(C)[n-]c2=O)C1 ZINC001739511850 1290090209 /nfs/dbraw/zinc/09/02/09/1290090209.db2.gz VJGIIXQCRZPZAE-JRPNMDOOSA-N -1 3 364.446 0.587 10 0 FCAEHM CC/C=C(\C)C(=O)N1C[C@@H](NC(=O)CCc2c(C)nc[n-]c2=O)[C@@H](O)C1 ZINC001702369038 1290148161 /nfs/dbraw/zinc/14/81/61/1290148161.db2.gz FCCNDBPPGBUIFY-BKTZVYDRSA-N -1 3 362.430 0.467 10 0 FCAEHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1C[C@@]2(CCOC2)Oc2ccccc21 ZINC001623771094 1290237167 /nfs/dbraw/zinc/23/71/67/1290237167.db2.gz RRYFWLPEAZVGDQ-DYZYQPBXSA-N -1 3 358.354 0.883 10 0 FCAEHM CCOC(=O)c1ccc(NC(=O)c2cn(C(F)(F)CO)nn2)c([O-])c1 ZINC001624301780 1290265398 /nfs/dbraw/zinc/26/53/98/1290265398.db2.gz HPJHKLCDPRFHHY-UHFFFAOYSA-N -1 3 356.285 0.954 10 0 FCAEHM COC(=O)c1ncoc1COCC(=O)[N-]N1C(=O)c2ccccc2C1=O ZINC001624714114 1290291042 /nfs/dbraw/zinc/29/10/42/1290291042.db2.gz IQPCVFZKYVWCRZ-UHFFFAOYSA-N -1 3 359.294 0.305 10 0 FCAEHM O=C(NCCCCN1CCN(c2ccccc2)CC1)c1n[nH]c(=O)[n-]c1=O ZINC001624995547 1290312362 /nfs/dbraw/zinc/31/23/62/1290312362.db2.gz AEXVJKHRZYOPLT-UHFFFAOYSA-N -1 3 372.429 0.615 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H](F)C1CN(C(=O)OC(C)(C)C)C1 ZINC001627152738 1290441008 /nfs/dbraw/zinc/44/10/08/1290441008.db2.gz JHYDUPZIKJTILK-RYUDHWBXSA-N -1 3 356.398 0.820 10 0 FCAEHM C[C@H](NC(N)=O)C(=O)NCC[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC001740209351 1290515971 /nfs/dbraw/zinc/51/59/71/1290515971.db2.gz KHNKUQBLPBXIHA-FRRDWIJNSA-N -1 3 362.430 0.663 10 0 FCAEHM COc1cc(OC)cc(C(=O)NCC(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)c1 ZINC001628246499 1290519739 /nfs/dbraw/zinc/51/97/39/1290519739.db2.gz QAPQZWAZWRIRJO-NSHDSACASA-N -1 3 374.397 0.878 10 0 FCAEHM CC1(C)[C@H](N2CCOCC2)C[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001628239995 1290519817 /nfs/dbraw/zinc/51/98/17/1290519817.db2.gz QMCUIDVBEUJDCX-UONOGXRCSA-N -1 3 357.418 0.491 10 0 FCAEHM CC1(C)[C@H](N2CCOCC2)C[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001628239995 1290519822 /nfs/dbraw/zinc/51/98/22/1290519822.db2.gz QMCUIDVBEUJDCX-UONOGXRCSA-N -1 3 357.418 0.491 10 0 FCAEHM C[C@]1(c2ccc(C(=O)N3CC[C@@H](c4cc(=O)[nH][n-]4)C3)cc2)NC(=O)NC1=O ZINC001628247482 1290519838 /nfs/dbraw/zinc/51/98/38/1290519838.db2.gz YULHUVKUQVXAMO-ADLMAVQZSA-N -1 3 369.381 0.800 10 0 FCAEHM CCOC(=O)[C@@H]1CCCN(CC(=O)NCc2cc(=O)[n-]c(=S)[nH]2)C1 ZINC001628258692 1290520426 /nfs/dbraw/zinc/52/04/26/1290520426.db2.gz CSTQDZYKNBDEON-SNVBAGLBSA-N -1 3 354.432 0.362 10 0 FCAEHM C[C@@H](C(=O)NCc1cc(=O)[n-]c(=S)[nH]1)N1C(=O)NC2(CCCC2)C1=O ZINC001628254679 1290520450 /nfs/dbraw/zinc/52/04/50/1290520450.db2.gz BVHWYQAOMPIAQG-QMMMGPOBSA-N -1 3 365.415 0.340 10 0 FCAEHM CCC[C@@H]1C[C@H]1C(=O)N1CCO[C@@](C)(CNC(=O)c2cnc[n-]c2=O)C1 ZINC001740257082 1290522340 /nfs/dbraw/zinc/52/23/40/1290522340.db2.gz SAJXBYYIUYLBPL-VFVRVIDISA-N -1 3 362.430 0.966 10 0 FCAEHM CC(C)(C)OC(=O)N[C@@H]1CCO[C@@](C)(C(=O)[N-]c2nnc3[nH]cnn23)C1 ZINC001628997674 1290568879 /nfs/dbraw/zinc/56/88/79/1290568879.db2.gz AUHQHXHWWIFMJX-RFAUZJTJSA-N -1 3 365.394 0.853 10 0 FCAEHM O=C(NCCCc1cc(=O)[nH][n-]1)c1ccncc1NC(=O)C(F)(F)F ZINC001629043342 1290572957 /nfs/dbraw/zinc/57/29/57/1290572957.db2.gz MUQRQRXSUJLWGZ-UHFFFAOYSA-N -1 3 357.292 0.968 10 0 FCAEHM Cc1cc(NCCNC(=O)c2cc(=O)[n-]c(C3CC3)n2)n2ncnc2n1 ZINC001629195004 1290583514 /nfs/dbraw/zinc/58/35/14/1290583514.db2.gz JJELOHIYQJFUMU-UHFFFAOYSA-N -1 3 354.374 0.648 10 0 FCAEHM O=C(COc1cccc(N2CCCC2=O)c1)NCCCc1c[n-][nH]c1=O ZINC001630632104 1290683578 /nfs/dbraw/zinc/68/35/78/1290683578.db2.gz PXXAKHRXDXWLJR-ZDUSSCGKSA-N -1 3 358.398 0.820 10 0 FCAEHM C[C@@H]1CN(CCCCNC(=O)CCCn2c(=O)[n-][nH]c2=O)C[C@H](C)O1 ZINC001630689951 1290687618 /nfs/dbraw/zinc/68/76/18/1290687618.db2.gz TYXSWBQRTMZJNP-BETUJISGSA-N -1 3 355.439 0.475 10 0 FCAEHM Cc1cc(S(N)(=O)=O)cc(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)c1C ZINC001644268614 1290952123 /nfs/dbraw/zinc/95/21/23/1290952123.db2.gz FFBNPQQXZIAIKX-UHFFFAOYSA-N -1 3 368.440 0.665 10 0 FCAEHM CS(=O)(=O)NCC[C@H]1CCCCN1Cc1nc2c(c(=O)[n-]1)COCC2 ZINC001644356061 1290957464 /nfs/dbraw/zinc/95/74/64/1290957464.db2.gz BPNCYVYJXGCILI-GFCCVEGCSA-N -1 3 370.475 0.549 10 0 FCAEHM CN(C)CCN(CC(=O)N(C)C)C(=O)c1nc[n-]c(=O)c1Br ZINC001645177574 1291007360 /nfs/dbraw/zinc/00/73/60/1291007360.db2.gz IIGJRIIAPGDLOI-UHFFFAOYSA-N -1 3 374.239 0.037 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCC[C@@H](NC(=O)COCc3nccn3C)C2)n1 ZINC001645356978 1291022333 /nfs/dbraw/zinc/02/23/33/1291022333.db2.gz BSLWCYAFFQLSSE-CYBMUJFWSA-N -1 3 360.418 0.526 10 0 FCAEHM COCCn1nc(C(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)ccc1=O ZINC001647558151 1291069319 /nfs/dbraw/zinc/06/93/19/1291069319.db2.gz GCIYIPZAGVIWBX-JOCQHMNTSA-N -1 3 373.413 0.842 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC001647858864 1291079361 /nfs/dbraw/zinc/07/93/61/1291079361.db2.gz LBPIBEKZQROXCK-QMMMGPOBSA-N -1 3 350.762 0.913 10 0 FCAEHM C[C@@]1([C@H]2CCCN(C(=O)c3ccc4c(c3)C(=O)[N-]C4=O)C2)COC(=O)N1 ZINC001651231871 1291208106 /nfs/dbraw/zinc/20/81/06/1291208106.db2.gz FDNJHDLDOHACPL-VOJFVSQTSA-N -1 3 357.366 0.921 10 0 FCAEHM CC(C)n1cc(CNC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c(=O)[nH]c1=O ZINC001651274197 1291214287 /nfs/dbraw/zinc/21/42/87/1291214287.db2.gz JDXQTUPGWSPFTB-UHFFFAOYSA-N -1 3 356.338 0.343 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)C[C@@H]3CCCS(=O)(=O)C3)CC2)n1 ZINC001652070999 1291258350 /nfs/dbraw/zinc/25/83/50/1291258350.db2.gz MABYSRMLGRTVAJ-ZDUSSCGKSA-N -1 3 368.459 0.354 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)[C@]1(C2CCCC2)CCNC1=O ZINC001653312472 1291334513 /nfs/dbraw/zinc/33/45/13/1291334513.db2.gz IYRDYKQLVIBSIG-ACJLOTCBSA-N -1 3 359.430 0.574 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccc2c(c1)C(=O)NCCO2 ZINC001653313461 1291335766 /nfs/dbraw/zinc/33/57/66/1291335766.db2.gz UMPNEUDLVUEFJB-GFCCVEGCSA-N -1 3 369.381 0.313 10 0 FCAEHM COC(=O)[C@](C)(Cn1cccn1)NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC001653437197 1291343200 /nfs/dbraw/zinc/34/32/00/1291343200.db2.gz VTWCBAYXEYDSDP-KRWDZBQOSA-N -1 3 363.370 0.968 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@](C)(Cn2cccn2)C(N)=O)c1 ZINC001653552115 1291352407 /nfs/dbraw/zinc/35/24/07/1291352407.db2.gz HMYCEBSDPRQVIN-QGZVFWFLSA-N -1 3 357.370 0.387 10 0 FCAEHM CSC[C@@H](C)C(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]2C1 ZINC001656800744 1291562682 /nfs/dbraw/zinc/56/26/82/1291562682.db2.gz HPCGUWBJKYVLJO-UPJWGTAASA-N -1 3 353.492 0.388 10 0 FCAEHM C[C@@H](CNCc1cc(=O)n2[n-]ccc2n1)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001669618302 1291997479 /nfs/dbraw/zinc/99/74/79/1291997479.db2.gz NZMRFNNQEXCMCK-MAXXOLAJSA-N -1 3 357.414 0.040 10 0 FCAEHM O=C(NC[C@H](CO)NCc1cc(=O)[n-]c(C2CC2)n1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001676555039 1292208917 /nfs/dbraw/zinc/20/89/17/1292208917.db2.gz ORXJGBRXNPHBQT-HLUFSKSISA-N -1 3 374.441 0.050 10 0 FCAEHM CSCCC(=O)N1CC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@@H]2C1 ZINC001685082763 1292420780 /nfs/dbraw/zinc/42/07/80/1292420780.db2.gz GFWKVXDTYODQDI-NEPJUHHUSA-N -1 3 350.444 0.856 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CCC2(COC(=O)N2)CC1 ZINC001685649858 1292582842 /nfs/dbraw/zinc/58/28/42/1292582842.db2.gz RYCJQIKEIACOPC-NSHDSACASA-N -1 3 362.390 0.045 10 0 FCAEHM COCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1nnc2ccccc2c1[O-] ZINC001686108075 1292770781 /nfs/dbraw/zinc/77/07/81/1292770781.db2.gz IHWAYVOQPYRERY-HONMWMINSA-N -1 3 356.382 0.844 10 0 FCAEHM Cc1nc(C)c(CC(=O)NCCCN(C)C(=O)[C@]23C[C@H]2COC3)c(=O)[n-]1 ZINC001687479927 1292986651 /nfs/dbraw/zinc/98/66/51/1292986651.db2.gz NHSPNPRWZHUUJS-UGSOOPFHSA-N -1 3 362.430 0.343 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)N[C@@H]1CCCC2(C1)OCCO2 ZINC001687790189 1293013715 /nfs/dbraw/zinc/01/37/15/1293013715.db2.gz WRRSTIPEVBLWCA-OLZOCXBDSA-N -1 3 363.418 0.746 10 0 FCAEHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]CCOCCCO)s1 ZINC000510508555 836084822 /nfs/dbraw/zinc/08/48/22/836084822.db2.gz QXRDKSWLGLQWEE-UHFFFAOYSA-N -1 3 353.418 0.221 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)ccc1F ZINC001118984510 847663240 /nfs/dbraw/zinc/66/32/40/847663240.db2.gz DNSZIQHSJMHPKD-GLRJYAJPSA-N -1 3 354.403 0.887 10 0 FCAEHM CN(C)Cc1ccc(S(=O)(=O)NC[C@@]2(C(=O)[O-])CCCOC2)cc1 ZINC001119066174 847699775 /nfs/dbraw/zinc/69/97/75/847699775.db2.gz SZRBCIVCHWLVEN-INIZCTEOSA-N -1 3 356.444 0.908 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)[C@H](C[C@H]1COCCO1)C(F)(F)F ZINC001119596456 847904901 /nfs/dbraw/zinc/90/49/01/847904901.db2.gz XJLPIFWAZMQIKO-DCAQKATOSA-N -1 3 351.325 0.599 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)[C@@H](C[C@@H]1COCCO1)C(F)(F)F ZINC001119596459 847905288 /nfs/dbraw/zinc/90/52/88/847905288.db2.gz XJLPIFWAZMQIKO-HBNTYKKESA-N -1 3 351.325 0.599 10 0 FCAEHM CO[C@@H]1CN(C(=O)NCCN2CCN(C)C(C)(C)C2)[C@](C)(C(=O)[O-])C1 ZINC001119640313 847918721 /nfs/dbraw/zinc/91/87/21/847918721.db2.gz JZNPCIFBJAZSIH-GUYCJALGSA-N -1 3 356.467 0.286 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001136654147 849232588 /nfs/dbraw/zinc/23/25/88/849232588.db2.gz UZHXIXNJLOFKCV-RYUDHWBXSA-N -1 3 354.407 0.251 10 0 FCAEHM CS(=O)(=O)c1cccnc1C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC001137463756 849267165 /nfs/dbraw/zinc/26/71/65/849267165.db2.gz YHJXBKOSDDPAIJ-UHFFFAOYSA-N -1 3 363.395 0.351 10 0 FCAEHM CN(C)C(=O)/C=C/C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001138741425 849318103 /nfs/dbraw/zinc/31/81/03/849318103.db2.gz JWXVXKMWHXQBCN-AATRIKPKSA-N -1 3 361.370 0.004 10 0 FCAEHM CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)C1 ZINC001144503170 849524249 /nfs/dbraw/zinc/52/42/49/849524249.db2.gz SVQGAUSGGLTEMY-VXGBXAGGSA-N -1 3 356.448 0.493 10 0 FCAEHM C[C@@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001144527276 849524745 /nfs/dbraw/zinc/52/47/45/849524745.db2.gz DKHTWESWMOUAPC-PRHODGIISA-N -1 3 354.432 0.143 10 0 FCAEHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC001144519318 849525248 /nfs/dbraw/zinc/52/52/48/849525248.db2.gz KSEVAZQDULNBJR-RNFRBKRXSA-N -1 3 350.322 0.544 10 0 FCAEHM CS(=O)(=O)Nc1ccc(C(=O)NCCCc2c[n-][nH]c2=O)c(Cl)c1 ZINC001149261555 849634482 /nfs/dbraw/zinc/63/44/82/849634482.db2.gz ABSGQHNNVRKZLT-SECBINFHSA-N -1 3 372.834 0.953 10 0 FCAEHM CC(C)[C@@H](C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1)N1CCCS1(=O)=O ZINC001164320397 850406216 /nfs/dbraw/zinc/40/62/16/850406216.db2.gz BHYZSNKPVPNUPB-RISCZKNCSA-N -1 3 356.448 0.491 10 0 FCAEHM O=C(CN1c2ccccc2OCCC1=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001164338310 850407580 /nfs/dbraw/zinc/40/75/80/850407580.db2.gz KVGIVVVQPBZYAE-UHFFFAOYSA-N -1 3 360.395 0.903 10 0 FCAEHM CNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)cc1 ZINC001164322622 850407955 /nfs/dbraw/zinc/40/79/55/850407955.db2.gz QKWMRZYDAYBFFZ-NSHDSACASA-N -1 3 350.400 0.653 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCc2cnc3n2CCOC3)c(C)o1 ZINC001180196705 851018910 /nfs/dbraw/zinc/01/89/10/851018910.db2.gz IJQQXOPIDRPQCX-UHFFFAOYSA-N -1 3 354.388 0.153 10 0 FCAEHM COCCO[C@@H]1C[C@H](CO)CN(C(=O)Cc2c(C)nc(C)[n-]c2=O)C1 ZINC001183334293 851243502 /nfs/dbraw/zinc/24/35/02/851243502.db2.gz VYECROZJETUQDN-UONOGXRCSA-N -1 3 353.419 0.214 10 0 FCAEHM CS(=O)(=O)NC[C@@H]1CCN(Cc2cc(=O)oc3cc([O-])ccc23)C1 ZINC001197571948 853134303 /nfs/dbraw/zinc/13/43/03/853134303.db2.gz AJVAKDJYGHBUMC-NSHDSACASA-N -1 3 352.412 0.870 10 0 FCAEHM CCN1CCN(C[C@@H](C)CNC(=O)N[C@]2(C(=O)[O-])CCSC2)CC1 ZINC001262175519 858807624 /nfs/dbraw/zinc/80/76/24/858807624.db2.gz JCFQNLWWVBXDFQ-XJKSGUPXSA-N -1 3 358.508 0.520 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CN(C(=O)CCCC(C)C)C[C@H]1O ZINC001281706421 863661513 /nfs/dbraw/zinc/66/15/13/863661513.db2.gz RZLVPEOESCOZQH-CHWSQXEVSA-N -1 3 350.419 0.618 10 0 FCAEHM CC[C@@H](OC)C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)c1cnc[n-]c1=O ZINC001282207187 864123302 /nfs/dbraw/zinc/12/33/02/864123302.db2.gz MVKRMSULRKGYIK-MBNYWOFBSA-N -1 3 350.419 0.964 10 0 FCAEHM CC[C@H](CC(C)C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001289110964 864923061 /nfs/dbraw/zinc/92/30/61/864923061.db2.gz NIUATKCZNLAVHO-MRVWCRGKSA-N -1 3 350.419 0.556 10 0 FCAEHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1C)S(C)(=O)=O ZINC001289344606 865026144 /nfs/dbraw/zinc/02/61/44/865026144.db2.gz DFJWNOGEVWRBJL-NQBHXWOUSA-N -1 3 354.428 0.402 10 0 FCAEHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@H]1C ZINC001290668797 865485386 /nfs/dbraw/zinc/48/53/86/865485386.db2.gz BCALFVNWBZVCHW-MXWKQRLJSA-N -1 3 350.423 0.075 10 0 FCAEHM CO[C@@H](CC(C)C)C(=O)N[C@H]1CCN(C(=O)c2cnc[n-]c2=O)[C@@H]1C ZINC001290720184 865502239 /nfs/dbraw/zinc/50/22/39/865502239.db2.gz PAVWTKUQDBENRL-XBFCOCLRSA-N -1 3 350.419 0.963 10 0 FCAEHM COCCC[C@@H](C)C(=O)N[C@H]1CCN(C(=O)c2cnc[n-]c2=O)[C@@H]1C ZINC001290726089 865504771 /nfs/dbraw/zinc/50/47/71/865504771.db2.gz VZNPTYDPYYIQGU-BZPMIXESSA-N -1 3 350.419 0.964 10 0 FCAEHM Cc1ccc(S(=O)(=O)CCC(=O)NCCCc2cc(=O)[nH][n-]2)cc1 ZINC001298792350 866131968 /nfs/dbraw/zinc/13/19/68/866131968.db2.gz OZHBWTKAOCFMFK-UHFFFAOYSA-N -1 3 351.428 0.931 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(OC)(OC)[C@H](O)C2)c1 ZINC001299815579 866197732 /nfs/dbraw/zinc/19/77/32/866197732.db2.gz YVIUFUURDRMUSX-CQSZACIVSA-N -1 3 350.371 0.713 10 0 FCAEHM O=C([C@H]1CC(=O)N(CC(F)(F)F)C1)N1CCC(Cc2nnn[n-]2)CC1 ZINC001349106632 866235571 /nfs/dbraw/zinc/23/55/71/866235571.db2.gz BPXFSSQBJYGOSY-JTQLQIEISA-N -1 3 360.340 0.392 10 0 FCAEHM O=C([C@H]1CC(=O)N(CC(F)(F)F)C1)N1CCC(Cc2nn[n-]n2)CC1 ZINC001349106632 866235585 /nfs/dbraw/zinc/23/55/85/866235585.db2.gz BPXFSSQBJYGOSY-JTQLQIEISA-N -1 3 360.340 0.392 10 0 FCAEHM C[C@]12CCC(=O)N1[C@@H](C(=O)N1CCC(Cc3nnn[n-]3)CC1)CS2 ZINC001349108271 866237526 /nfs/dbraw/zinc/23/75/26/866237526.db2.gz NLNIGEVAJZJKNK-ABAIWWIYSA-N -1 3 350.448 0.435 10 0 FCAEHM C[C@]12CCC(=O)N1[C@@H](C(=O)N1CCC(Cc3nn[n-]n3)CC1)CS2 ZINC001349108271 866237540 /nfs/dbraw/zinc/23/75/40/866237540.db2.gz NLNIGEVAJZJKNK-ABAIWWIYSA-N -1 3 350.448 0.435 10 0 FCAEHM CS(=O)(=O)C1(CNC(=O)c2ccc(-c3nnn[n-]3)cn2)CCCCC1 ZINC001300901239 866238683 /nfs/dbraw/zinc/23/86/83/866238683.db2.gz DSLATZJFTXNODX-UHFFFAOYSA-N -1 3 364.431 0.739 10 0 FCAEHM CS(=O)(=O)C1(CNC(=O)c2ccc(-c3nn[n-]n3)cn2)CCCCC1 ZINC001300901239 866238703 /nfs/dbraw/zinc/23/87/03/866238703.db2.gz DSLATZJFTXNODX-UHFFFAOYSA-N -1 3 364.431 0.739 10 0 FCAEHM COCCS(=O)(=O)c1ccc(C(=O)[N-]N2C(=O)[C@H](C)N(C)C2=O)cc1 ZINC001301134574 866249431 /nfs/dbraw/zinc/24/94/31/866249431.db2.gz MLZLKLFBDQKLAT-JTQLQIEISA-N -1 3 369.399 0.034 10 0 FCAEHM CN(C[C@H]1COCCO1)c1nnc(-c2nnc(Cl)[n-]2)n1CC1CC1 ZINC001351334476 866836013 /nfs/dbraw/zinc/83/60/13/866836013.db2.gz YIYOTEARMMURHF-JTQLQIEISA-N -1 3 353.814 0.978 10 0 FCAEHM CN(C[C@H]1COCCO1)c1nnc(-c2n[n-]c(Cl)n2)n1CC1CC1 ZINC001351334476 866836028 /nfs/dbraw/zinc/83/60/28/866836028.db2.gz YIYOTEARMMURHF-JTQLQIEISA-N -1 3 353.814 0.978 10 0 FCAEHM Cc1noc(CCNC(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)n1 ZINC001319548965 867949284 /nfs/dbraw/zinc/94/92/84/867949284.db2.gz PJYPSMSKRNGPJI-UHFFFAOYSA-N -1 3 371.394 0.931 10 0 FCAEHM C[C@@H]1CN(C(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)CC(=O)N1C ZINC001321191307 868392883 /nfs/dbraw/zinc/39/28/83/868392883.db2.gz CVRIJBNTQVXEPT-SNVBAGLBSA-N -1 3 372.422 0.569 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NCCOCCCO)ccc1F ZINC001322535512 868850454 /nfs/dbraw/zinc/85/04/54/868850454.db2.gz SMFJJJVCQRSURU-UHFFFAOYSA-N -1 3 362.423 0.641 10 0 FCAEHM C[C@H](NC(=O)C(=O)N(C)C[C@H]1CCCN1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001327160620 870694397 /nfs/dbraw/zinc/69/43/97/870694397.db2.gz OSIJUFXTDPTHPP-RFQIPJPRSA-N -1 3 353.463 0.791 10 0 FCAEHM CC(=O)NCCN(C(=O)C[C@H](N)c1cc(C)nc(Cl)c1)[C@@H](C)C(=O)[O-] ZINC001327241027 870737544 /nfs/dbraw/zinc/73/75/44/870737544.db2.gz UBWDHPNTZIGVDJ-GWCFXTLKSA-N -1 3 370.837 0.871 10 0 FCAEHM CCOCCC(=O)N[C@@H]1CC[C@H](CNC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001344308759 870818952 /nfs/dbraw/zinc/81/89/52/870818952.db2.gz MHPICWMROTVVTG-QWHCGFSZSA-N -1 3 350.419 0.932 10 0 FCAEHM CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001328190511 871276788 /nfs/dbraw/zinc/27/67/88/871276788.db2.gz PKGYMAUDWLQPJS-BFHYXJOUSA-N -1 3 354.451 0.482 10 0 FCAEHM CCCCOCC(=O)NC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001346031036 871611870 /nfs/dbraw/zinc/61/18/70/871611870.db2.gz POBWSYPLHPKUKX-CHWSQXEVSA-N -1 3 350.419 0.823 10 0 FCAEHM COc1ccc(CCNC(=O)C[N-]S(=O)(=O)c2c(C)noc2C)cn1 ZINC001329216877 871893194 /nfs/dbraw/zinc/89/31/94/871893194.db2.gz PZOAKEZAMLTKQV-UHFFFAOYSA-N -1 3 368.415 0.332 10 0 FCAEHM C[C@@]1(C(F)F)CN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)CCO1 ZINC001329967861 872393792 /nfs/dbraw/zinc/39/37/92/872393792.db2.gz ZWHSYQAEZPBFSG-HNNXBMFYSA-N -1 3 358.345 0.821 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]C1(c2cc(C)no2)CCOCC1)[C@H]1CCOC1 ZINC001348200549 872626323 /nfs/dbraw/zinc/62/63/23/872626323.db2.gz XOCRGPNXBGDHGB-UONOGXRCSA-N -1 3 374.459 0.960 10 0 FCAEHM COC(=O)[C@H](C[C@H]1CCCOC1)NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC001331712533 873210440 /nfs/dbraw/zinc/21/04/40/873210440.db2.gz RTHKGKUXOIBOQX-OCCSQVGLSA-N -1 3 351.403 0.816 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCc2cc(=O)c(O)cn2C)ccc1F ZINC001332101402 873372522 /nfs/dbraw/zinc/37/25/22/873372522.db2.gz AUSPLZAXMGLDRI-UHFFFAOYSA-N -1 3 369.374 0.068 10 0 FCAEHM C[C@H](NC(=O)C(=O)N(C)CCN(C)C1CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001332945137 873727480 /nfs/dbraw/zinc/72/74/80/873727480.db2.gz KDTYWKXLNUGDAX-FPMFFAJLSA-N -1 3 353.463 0.791 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-]C[C@H](O)c2ccccc2OC)CCC1 ZINC000291712302 214052707 /nfs/dbraw/zinc/05/27/07/214052707.db2.gz OUUSCGPTHSAQQU-ZDUSSCGKSA-N -1 3 357.428 0.991 10 0 FCAEHM CN(C)c1noc(CCC(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)n1 ZINC000292019972 214071257 /nfs/dbraw/zinc/07/12/57/214071257.db2.gz OHUZOOJZRCFXNQ-UHFFFAOYSA-N -1 3 360.374 0.603 10 0 FCAEHM COC(=O)c1sc2[n-]c(CN3CCNC(=O)CC3)nc(=O)c2c1C ZINC000292085679 214075482 /nfs/dbraw/zinc/07/54/82/214075482.db2.gz UNPHCWXOBVAUBJ-UHFFFAOYSA-N -1 3 350.400 0.814 10 0 FCAEHM CN(C)C(=O)CCN1CCN(C(=O)c2ccc3n[n-]c(=S)n3c2)CC1 ZINC000294816528 214267032 /nfs/dbraw/zinc/26/70/32/214267032.db2.gz CKXJJUAVNJSZTE-UHFFFAOYSA-N -1 3 362.459 0.254 10 0 FCAEHM CC[C@@H](NC(=O)C[N-]S(=O)(=O)c1c(C)noc1C)[C@H](O)C(F)F ZINC000295426455 214296114 /nfs/dbraw/zinc/29/61/14/214296114.db2.gz JFBCJXJMJPNAFL-SCZZXKLOSA-N -1 3 355.363 0.091 10 0 FCAEHM O=C1[N-]C(=O)[C@@]2(CCCN(S(=O)(=O)CCOCc3ccccc3)C2)N1 ZINC000296220557 214337882 /nfs/dbraw/zinc/33/78/82/214337882.db2.gz MTDLFPINMXXBPX-INIZCTEOSA-N -1 3 367.427 0.207 10 0 FCAEHM COC(=O)N[C@H](C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)C(C)C ZINC000291460059 214035998 /nfs/dbraw/zinc/03/59/98/214035998.db2.gz DDMMGLMNKWLLPN-ZDUSSCGKSA-N -1 3 350.375 0.902 10 0 FCAEHM C[C@H]1CCN(CC2CN(S(C)(=O)=O)C2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000930488231 674031071 /nfs/dbraw/zinc/03/10/71/674031071.db2.gz ILEIONOYWCAUKU-NHCYSSNCSA-N -1 3 371.425 0.655 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C[C@H](C)CN1CCOCC1 ZINC000290886910 214000765 /nfs/dbraw/zinc/00/07/65/214000765.db2.gz ZIZQYNULQIKXOO-NSHDSACASA-N -1 3 374.459 0.930 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CSC[C@H]1C(=O)Nc1cccc(F)c1 ZINC000265673066 210193801 /nfs/dbraw/zinc/19/38/01/210193801.db2.gz ROZGWHOXVSTSNT-NSHDSACASA-N -1 3 366.374 0.218 10 0 FCAEHM Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)CN1CC(=O)[N-]C1=O ZINC000265658047 210189099 /nfs/dbraw/zinc/18/90/99/210189099.db2.gz OIGDSAUWRZWUMD-GFCCVEGCSA-N -1 3 362.411 0.387 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000329753229 214890444 /nfs/dbraw/zinc/89/04/44/214890444.db2.gz JWQFYHWDUWZBGW-FTYKPCCVSA-N -1 3 357.432 0.188 10 0 FCAEHM COc1ccc2c(c1)[n-]cc(C(=O)N1CCO[C@@H](CNC(C)=O)C1)c2=O ZINC000265397677 210120705 /nfs/dbraw/zinc/12/07/05/210120705.db2.gz PGDIXNOBWONEPE-ZDUSSCGKSA-N -1 3 359.382 0.926 10 0 FCAEHM CN(C[C@@H]1CCN(C(=O)CN2CC(=O)[N-]C2=O)C1)C(=O)OC(C)(C)C ZINC000264942744 210020589 /nfs/dbraw/zinc/02/05/89/210020589.db2.gz RIQHAKNBCNLJQE-NSHDSACASA-N -1 3 354.407 0.254 10 0 FCAEHM COCCOC(=O)Nc1cccc(NC(=O)CN2CC(=O)[N-]C2=O)c1 ZINC000264858582 210002062 /nfs/dbraw/zinc/00/20/62/210002062.db2.gz OVADOROLOBCYNB-UHFFFAOYSA-N -1 3 350.331 0.372 10 0 FCAEHM Cc1ccc([C@H](CNC(=O)CN2CC(=O)[N-]C2=O)N2CCOCC2)cc1 ZINC000264852321 210001286 /nfs/dbraw/zinc/00/12/86/210001286.db2.gz NILPZZGVHSUGIG-HNNXBMFYSA-N -1 3 360.414 0.036 10 0 FCAEHM COc1cccc(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)c1[O-] ZINC000264630907 209929412 /nfs/dbraw/zinc/92/94/12/209929412.db2.gz BKSRSVJHHFSCHF-LBPRGKRZSA-N -1 3 372.443 0.619 10 0 FCAEHM CN(CC(=O)[O-])[C@@H]1CN(C(=O)[C@@H]2C[C@@]23CCOc2ccccc23)C[C@H]1O ZINC000333312259 215262434 /nfs/dbraw/zinc/26/24/34/215262434.db2.gz VMHWJYLEQJODOS-NRTGNBEESA-N -1 3 360.410 0.315 10 0 FCAEHM Cn1cc([C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cn1 ZINC000360438548 215360214 /nfs/dbraw/zinc/36/02/14/215360214.db2.gz YDNYWKPTYXWCQN-GJZGRUSLSA-N -1 3 358.398 0.580 10 0 FCAEHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCC(=O)N(C)C2)c1 ZINC000285183145 213297674 /nfs/dbraw/zinc/29/76/74/213297674.db2.gz NDCHEVKCLDXFRS-LLVKDONJSA-N -1 3 358.391 0.902 10 0 FCAEHM CN(C)[C@@H](CNC(=O)CN1CCC(c2n[n-]c(=O)o2)CC1)c1ccccc1 ZINC000283971964 213045700 /nfs/dbraw/zinc/04/57/00/213045700.db2.gz ILPSPCDIVYVEQO-INIZCTEOSA-N -1 3 373.457 0.961 10 0 FCAEHM O=C(NCCCN1C(=O)CNC1=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC000412096345 237162954 /nfs/dbraw/zinc/16/29/54/237162954.db2.gz YNOVFNURUIZUMR-UHFFFAOYSA-N -1 3 362.773 0.853 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NC1CCN(c2nc3ccccc3s2)CC1 ZINC000367051710 216068307 /nfs/dbraw/zinc/06/83/07/216068307.db2.gz CCEFDMRLDYSFLV-LBPRGKRZSA-N -1 3 373.438 0.979 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@H]1COC2(CCOCC2)O1 ZINC000367763262 216158610 /nfs/dbraw/zinc/15/86/10/216158610.db2.gz KEDVHFIPJQAIOP-JTQLQIEISA-N -1 3 365.839 0.582 10 0 FCAEHM CCn1nccc1N1CCC[C@@H]([N-]S(=O)(=O)N2CCC[C@@H](C)C2)C1=O ZINC000251564757 209447919 /nfs/dbraw/zinc/44/79/19/209447919.db2.gz GWXZWHWXBPZXKL-ZIAGYGMSSA-N -1 3 369.491 0.965 10 0 FCAEHM Cc1nn(-c2ccccc2)cc1C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000195001760 209331557 /nfs/dbraw/zinc/33/15/57/209331557.db2.gz WFMLJPAKJAZCNH-SFHVURJKSA-N -1 3 353.382 0.995 10 0 FCAEHM CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)C[C@@H]3NC(=O)[N-]C3=O)CC[C@@H]21 ZINC000368349430 216236471 /nfs/dbraw/zinc/23/64/71/216236471.db2.gz RQPPFGRKNBCDHW-WOPDTQHZSA-N -1 3 366.418 0.442 10 0 FCAEHM C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])C(=O)NCCF ZINC000368525905 216257776 /nfs/dbraw/zinc/25/77/76/216257776.db2.gz GKLPPMOMKKKPJD-WCQYABFASA-N -1 3 351.378 0.587 10 0 FCAEHM O=C(CN1CCC[C@@]2(C1)NC(=O)[N-]C2=O)NCc1cccc(Cl)c1 ZINC000192637539 209302998 /nfs/dbraw/zinc/30/29/98/209302998.db2.gz VTMCTAWFCZAVOF-INIZCTEOSA-N -1 3 350.806 0.630 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)Nc1nnc(-c2c[nH]nc2C)s1 ZINC000368735124 216288808 /nfs/dbraw/zinc/28/88/08/216288808.db2.gz ZVSREWQWTYYICC-UHFFFAOYSA-N -1 3 374.448 0.131 10 0 FCAEHM O=C(CC1CCCC1)N1CCCN(C(=O)CN2CC(=O)[N-]C2=O)CC1 ZINC000369232234 216367770 /nfs/dbraw/zinc/36/77/70/216367770.db2.gz OLZZGTNINQJZQE-UHFFFAOYSA-N -1 3 350.419 0.179 10 0 FCAEHM COc1cc(C)c(S(=O)(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1C ZINC000278656027 212474972 /nfs/dbraw/zinc/47/49/72/212474972.db2.gz GXPNTANKWCZQPH-INIZCTEOSA-N -1 3 367.427 0.675 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CCc2cc[nH]c(=O)c2C1 ZINC000277703360 212388798 /nfs/dbraw/zinc/38/87/98/212388798.db2.gz FKYPWTVSOZLGHV-UHFFFAOYSA-N -1 3 353.425 0.712 10 0 FCAEHM C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)CN1CC(=O)[N-]C1=O ZINC000277552414 212372429 /nfs/dbraw/zinc/37/24/29/212372429.db2.gz MRMFXROBFSPAMR-QWRGUYRKSA-N -1 3 354.407 0.300 10 0 FCAEHM COC(=O)NCCc1ccc(S(=O)(=O)[N-]CCn2ccnc2)s1 ZINC000276558894 212254940 /nfs/dbraw/zinc/25/49/40/212254940.db2.gz ZDBIMHDDUOISKP-UHFFFAOYSA-N -1 3 358.445 0.822 10 0 FCAEHM CO[C@@H]1CN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)CC[C@@H]1C ZINC000187961236 209221306 /nfs/dbraw/zinc/22/13/06/209221306.db2.gz DJIOOIPZSXQPLR-WCBMZHEXSA-N -1 3 360.208 0.183 10 0 FCAEHM CC1(C)CC[C@@H](CNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)O1 ZINC000187338301 209211798 /nfs/dbraw/zinc/21/17/98/209211798.db2.gz ZNALPYVKBLNWPD-QMMMGPOBSA-N -1 3 360.208 0.373 10 0 FCAEHM CCc1cc(C(=O)N2CC[C@@H](N(C)Cc3cc(=O)[n-]c(N(C)C)n3)C2)[nH]n1 ZINC000276435083 212232638 /nfs/dbraw/zinc/23/26/38/212232638.db2.gz LXOXJPOHRLBCRF-CQSZACIVSA-N -1 3 373.461 0.880 10 0 FCAEHM CCc1cc(C(=O)N2CC[C@@H](N(C)Cc3cc(=O)[n-]c(N(C)C)n3)C2)n[nH]1 ZINC000276435083 212232641 /nfs/dbraw/zinc/23/26/41/212232641.db2.gz LXOXJPOHRLBCRF-CQSZACIVSA-N -1 3 373.461 0.880 10 0 FCAEHM CCCn1[n-]cc/c1=N\C(=O)CN1CCC([N@H+](CC)CC(=O)[O-])CC1 ZINC000186688839 209195523 /nfs/dbraw/zinc/19/55/23/209195523.db2.gz RQZHCCZWMDNGIS-XDJHFCHBSA-N -1 3 351.451 0.524 10 0 FCAEHM CCCn1[n-]cc/c1=N\C(=O)CN1CCC([N@@H+](CC)CC(=O)[O-])CC1 ZINC000186688839 209195527 /nfs/dbraw/zinc/19/55/27/209195527.db2.gz RQZHCCZWMDNGIS-XDJHFCHBSA-N -1 3 351.451 0.524 10 0 FCAEHM COC[C@@H](C[N-]S(=O)(=O)c1ccc(CCNC(=O)OC)s1)OC ZINC000276278170 212202574 /nfs/dbraw/zinc/20/25/74/212202574.db2.gz WCSYQGJHBYEJQR-SNVBAGLBSA-N -1 3 366.461 0.586 10 0 FCAEHM COC(=O)NCCc1ccc(S(=O)(=O)[N-]Cc2ncn(C)n2)s1 ZINC000276290615 212206218 /nfs/dbraw/zinc/20/62/18/212206218.db2.gz YLGYALBBQFREED-UHFFFAOYSA-N -1 3 359.433 0.254 10 0 FCAEHM COC(=O)NCCc1ccc(S(=O)(=O)[N-]Cc2noc(C)n2)s1 ZINC000276254312 212197567 /nfs/dbraw/zinc/19/75/67/212197567.db2.gz RHLJSZKCFAOLCR-UHFFFAOYSA-N -1 3 360.417 0.817 10 0 FCAEHM CC(C)Oc1ccc(NC(=O)C(=O)[N-]N2CC(=O)N(C)C2=O)cc1Cl ZINC000276114552 212163637 /nfs/dbraw/zinc/16/36/37/212163637.db2.gz OORVMQUNBLTPNF-UHFFFAOYSA-N -1 3 368.777 0.991 10 0 FCAEHM COc1ccccc1N1CC[C@H]([N-]S(=O)(=O)[C@@H]2CCO[C@@H]2C)C1=O ZINC000276057163 212149461 /nfs/dbraw/zinc/14/94/61/212149461.db2.gz PRAVGAJMMOHNQZ-TYNCELHUSA-N -1 3 354.428 0.897 10 0 FCAEHM CCN(Cc1ccccc1)S(=O)(=O)N1CCCN(CC(=O)[O-])CC1 ZINC000275412339 212023593 /nfs/dbraw/zinc/02/35/93/212023593.db2.gz ZVWSTPFQKBQMED-UHFFFAOYSA-N -1 3 355.460 0.846 10 0 FCAEHM CN(C(=O)CN1CC(=O)[N-]C1=O)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000275289630 212001499 /nfs/dbraw/zinc/00/14/99/212001499.db2.gz WXFNFEPNKFJCJN-RISCZKNCSA-N -1 3 372.208 0.962 10 0 FCAEHM O=C(CC[C@@H]1NC(=O)[N-]C1=O)N1CCOC[C@H]1Cc1c[nH]c2ccccc12 ZINC000374346325 217120637 /nfs/dbraw/zinc/12/06/37/217120637.db2.gz QZNZNDZTLVXCEN-CJNGLKHVSA-N -1 3 370.409 0.926 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000374480310 217134456 /nfs/dbraw/zinc/13/44/56/217134456.db2.gz UPVPMXCDLVUJSD-INIZCTEOSA-N -1 3 351.790 0.710 10 0 FCAEHM CCN(CC1CC1)S(=O)(=O)[N-][C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000183946571 209154521 /nfs/dbraw/zinc/15/45/21/209154521.db2.gz NSBCDWIPQRCDCW-AWEZNQCLSA-N -1 3 369.491 0.790 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000374956446 217196636 /nfs/dbraw/zinc/19/66/36/217196636.db2.gz SLZKTPKBAUXXAG-UHFFFAOYSA-N -1 3 360.389 0.731 10 0 FCAEHM CN(Cc1cnccn1)C(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC000375098332 217217585 /nfs/dbraw/zinc/21/75/85/217217585.db2.gz CMWKLOAJPQDBKV-UHFFFAOYSA-N -1 3 355.329 0.936 10 0 FCAEHM CN(Cc1cnccn1)C(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000375098332 217217588 /nfs/dbraw/zinc/21/75/88/217217588.db2.gz CMWKLOAJPQDBKV-UHFFFAOYSA-N -1 3 355.329 0.936 10 0 FCAEHM COC(=O)CC[C@H](CC1CCCCC1)NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000416280855 245553622 /nfs/dbraw/zinc/55/36/22/245553622.db2.gz ZUQQICNVVLWDSW-OLZOCXBDSA-N -1 3 353.419 0.993 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[C@]3(C2)CCCOC3)cn1C ZINC000375323368 217249896 /nfs/dbraw/zinc/24/98/96/217249896.db2.gz FIUPNLXXJSFWBL-INIZCTEOSA-N -1 3 370.475 0.426 10 0 FCAEHM NC(=O)C1(C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)CCOCC1 ZINC000376239104 217373397 /nfs/dbraw/zinc/37/33/97/217373397.db2.gz BDNQYOGOZXKYGS-UHFFFAOYSA-N -1 3 367.349 0.661 10 0 FCAEHM Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC000424365113 247199519 /nfs/dbraw/zinc/19/95/19/247199519.db2.gz GIUWFHUZOMQFNZ-SMDDNHRTSA-N -1 3 372.491 0.935 10 0 FCAEHM CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1)C(=O)[O-] ZINC000424494118 247239381 /nfs/dbraw/zinc/23/93/81/247239381.db2.gz PHTYQJFMPFKAJE-HUUCEWRRSA-N -1 3 353.463 0.936 10 0 FCAEHM CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000424475785 247232412 /nfs/dbraw/zinc/23/24/12/247232412.db2.gz CFNKATLBSDBBBC-ZNMIVQPWSA-N -1 3 353.463 0.935 10 0 FCAEHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@@H](CO)CN3CCOCC3)c[n-]c12 ZINC000425292493 247317927 /nfs/dbraw/zinc/31/79/27/247317927.db2.gz YZGHHPFDDQNQSW-CYBMUJFWSA-N -1 3 363.389 0.399 10 0 FCAEHM O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C(=O)N[C@H]1CC12CC2 ZINC000425807444 247389514 /nfs/dbraw/zinc/38/95/14/247389514.db2.gz VCHNKMQEWGZUDE-ZDUSSCGKSA-N -1 3 367.402 0.874 10 0 FCAEHM COCC[C@H](COC)NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436639822 248045400 /nfs/dbraw/zinc/04/54/00/248045400.db2.gz MVJSNFNREAVYKE-OAHLLOKOSA-N -1 3 365.430 0.911 10 0 FCAEHM CS(=O)(=O)N1CC[C@@H](CN2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC000436670612 248045879 /nfs/dbraw/zinc/04/58/79/248045879.db2.gz GEEICHZXHDATLM-AWEZNQCLSA-N -1 3 367.471 0.432 10 0 FCAEHM COCCCCS(=O)(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436812407 248051293 /nfs/dbraw/zinc/05/12/93/248051293.db2.gz XCFVGCBWLUGSIY-UHFFFAOYSA-N -1 3 356.444 0.906 10 0 FCAEHM CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F)[C@@H]1CCNC1=O ZINC000443032883 248304292 /nfs/dbraw/zinc/30/42/92/248304292.db2.gz LZYQBCUJSQSXIK-CMPLNLGQSA-N -1 3 357.407 0.230 10 0 FCAEHM C[C@H](CO)N(C[C@H](C)O)C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000443789259 248339769 /nfs/dbraw/zinc/33/97/69/248339769.db2.gz LIXRMEOXLQZQOA-WOPDTQHZSA-N -1 3 362.423 0.083 10 0 FCAEHM CC[C@@H]([N-]S(=O)(=O)C[C@@H]1CCCC1(F)F)C(=O)N1CCOCC1 ZINC000451303680 248506960 /nfs/dbraw/zinc/50/69/60/248506960.db2.gz MXTKMNDETHOHAY-NWDGAFQWSA-N -1 3 354.419 0.979 10 0 FCAEHM COC[C@@](C)(O)CCNC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000455191504 249461890 /nfs/dbraw/zinc/46/18/90/249461890.db2.gz FAFMOUZPFOCHFS-SFHVURJKSA-N -1 3 365.430 0.647 10 0 FCAEHM O=C(N[C@@H]1COC[C@H]1O)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000456423315 249525656 /nfs/dbraw/zinc/52/56/56/249525656.db2.gz CUBMVNLATPGHGA-GHMZBOCLSA-N -1 3 372.424 0.309 10 0 FCAEHM COc1nnc(NC(=O)[C@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)[n-]1 ZINC000271312363 211375540 /nfs/dbraw/zinc/37/55/40/211375540.db2.gz VRTGZHBEIVXRSY-GHMZBOCLSA-N -1 3 365.390 0.734 10 0 FCAEHM COc1nc(NC(=O)[C@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)n[n-]1 ZINC000271312363 211375543 /nfs/dbraw/zinc/37/55/43/211375543.db2.gz VRTGZHBEIVXRSY-GHMZBOCLSA-N -1 3 365.390 0.734 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)n1 ZINC000271312363 211375545 /nfs/dbraw/zinc/37/55/45/211375545.db2.gz VRTGZHBEIVXRSY-GHMZBOCLSA-N -1 3 365.390 0.734 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC[C@](C)(O)C(F)(F)F ZINC000270878920 211289953 /nfs/dbraw/zinc/28/99/53/211289953.db2.gz JZJUQRKVBBVEJC-UFBFGSQYSA-N -1 3 372.340 0.922 10 0 FCAEHM CN1C(=O)C[C@H](C(=O)Nc2nnc(SCCO)[n-]2)[C@@H]1c1cccnc1 ZINC000270882369 211289403 /nfs/dbraw/zinc/28/94/03/211289403.db2.gz OXJMIIJUOQWKMP-JQWIXIFHSA-N -1 3 362.415 0.442 10 0 FCAEHM CN1C(=O)C[C@H](C(=O)Nc2nc(SCCO)n[n-]2)[C@@H]1c1cccnc1 ZINC000270882369 211289406 /nfs/dbraw/zinc/28/94/06/211289406.db2.gz OXJMIIJUOQWKMP-JQWIXIFHSA-N -1 3 362.415 0.442 10 0 FCAEHM CN1C(=O)C[C@H](C(=O)Nc2n[n-]c(SCCO)n2)[C@@H]1c1cccnc1 ZINC000270882369 211289412 /nfs/dbraw/zinc/28/94/12/211289412.db2.gz OXJMIIJUOQWKMP-JQWIXIFHSA-N -1 3 362.415 0.442 10 0 FCAEHM CC[C@H]1Oc2cc([C@@H](C)NC(=O)C[C@@H]3NC(=O)[N-]C3=O)ccc2NC1=O ZINC000270813853 211273632 /nfs/dbraw/zinc/27/36/32/211273632.db2.gz OYHDDAGFQZHVMI-JFUSQASVSA-N -1 3 360.370 0.571 10 0 FCAEHM CC[C@@H]([N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC)C(=O)OC ZINC000270515695 211215530 /nfs/dbraw/zinc/21/55/30/211215530.db2.gz PWVPJQOPUNPCBH-SSDOTTSWSA-N -1 3 351.402 0.773 10 0 FCAEHM COC(=O)c1ccccc1N1C(=O)C[C@@H](SC[C@H](N)C(=O)[O-])C1=O ZINC000016900480 211172279 /nfs/dbraw/zinc/17/22/79/211172279.db2.gz PAMDNOZBTVPTAL-GXSJLCMTSA-N -1 3 352.368 0.250 10 0 FCAEHM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-]C[C@@H]2CCC[C@H]2O)c1 ZINC000270214461 211168046 /nfs/dbraw/zinc/16/80/46/211168046.db2.gz OPEQJNUUDUNPRS-WCQYABFASA-N -1 3 371.411 0.699 10 0 FCAEHM COC(=O)C[C@@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1ccc(SC)cc1 ZINC000270184859 211164194 /nfs/dbraw/zinc/16/41/94/211164194.db2.gz AYNSRXCUNUFINO-NEPJUHHUSA-N -1 3 365.411 0.727 10 0 FCAEHM O=C(NCCNS(=O)(=O)c1cccs1)NCc1ncccc1[O-] ZINC000472040923 250128463 /nfs/dbraw/zinc/12/84/63/250128463.db2.gz JNJRLHJTTDQTSW-UHFFFAOYSA-N -1 3 356.429 0.626 10 0 FCAEHM CCS(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ncccc2[O-])cc1 ZINC000473046296 250195520 /nfs/dbraw/zinc/19/55/20/250195520.db2.gz KECXQUOYHPNIJO-UHFFFAOYSA-N -1 3 363.395 0.836 10 0 FCAEHM O=C(NCc1ncccc1[O-])C(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000473031867 250195599 /nfs/dbraw/zinc/19/55/99/250195599.db2.gz DYMRNWFZLRNFKT-UHFFFAOYSA-N -1 3 354.366 0.934 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]Cc2ccc(OCC(N)=O)c(OC)c2)c1 ZINC000474059707 250268587 /nfs/dbraw/zinc/26/85/87/250268587.db2.gz OSBXKYLISSAQBP-UHFFFAOYSA-N -1 3 368.415 0.254 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)NCc1noc(C2CC2)n1 ZINC000481383206 250333219 /nfs/dbraw/zinc/33/32/19/250333219.db2.gz RQBBSJNAEPZSKS-UHFFFAOYSA-N -1 3 371.444 0.786 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCCOC2)c(C(=O)OC)s1 ZINC000269660791 211037360 /nfs/dbraw/zinc/03/73/60/211037360.db2.gz LIQDOKUXJCLQFV-QMMMGPOBSA-N -1 3 363.413 0.779 10 0 FCAEHM CCOc1cccc(CCNC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)c1 ZINC000269554615 211008549 /nfs/dbraw/zinc/00/85/49/211008549.db2.gz ZNWIXQHRZCBPLD-UHFFFAOYSA-N -1 3 366.443 0.456 10 0 FCAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)Cn3ccc(=O)n(C)c3=O)cc2)n1 ZINC000068225121 208024077 /nfs/dbraw/zinc/02/40/77/208024077.db2.gz JXRIFAHJWDKNGA-UHFFFAOYSA-N -1 3 367.365 0.244 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCN(C(C)=O)CC1 ZINC000266488147 210343236 /nfs/dbraw/zinc/34/32/36/210343236.db2.gz ADSPDDCWVCEEHU-UHFFFAOYSA-N -1 3 367.427 0.862 10 0 FCAEHM CN(C[C@H]1CCCN1C(=O)CN1CC(=O)[N-]C1=O)C(=O)OC(C)(C)C ZINC000266286394 210315827 /nfs/dbraw/zinc/31/58/27/210315827.db2.gz CVVYPRPANFZULH-LLVKDONJSA-N -1 3 354.407 0.396 10 0 FCAEHM CC(C)(CNC(=O)C1CC2(C1)NC(=O)[N-]C2=O)N1CCc2ccccc2C1 ZINC000178912829 209066935 /nfs/dbraw/zinc/06/69/35/209066935.db2.gz LHRSJEAWINPVMN-UHFFFAOYSA-N -1 3 370.453 0.928 10 0 FCAEHM CS(=O)(=O)NC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccccc1F ZINC000409813016 533407247 /nfs/dbraw/zinc/40/72/47/533407247.db2.gz RMBWJOLXEQSQOF-PWSUYJOCSA-N -1 3 350.437 0.822 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCC[C@H](O)C(F)(F)F ZINC000410062276 533487948 /nfs/dbraw/zinc/48/79/48/533487948.db2.gz OXGHMVMNZNOPTK-SFYZADRCSA-N -1 3 360.379 0.844 10 0 FCAEHM CC[C@@H](CO)N1CCN(C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)CC1 ZINC000179409443 209077390 /nfs/dbraw/zinc/07/73/90/209077390.db2.gz LVETVZRCFMVZIK-AWEZNQCLSA-N -1 3 361.446 0.097 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N3C[C@H]4CCCC[C@@H]4C3)cnc21 ZINC000175675120 229215547 /nfs/dbraw/zinc/21/55/47/229215547.db2.gz YPDQXJDUSRSGHN-GHMZBOCLSA-N -1 3 364.427 0.433 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCNC(=O)C1(C)C ZINC000409470291 230020051 /nfs/dbraw/zinc/02/00/51/230020051.db2.gz PGNMGQYFKQWIMK-JTQLQIEISA-N -1 3 357.407 0.230 10 0 FCAEHM Cc1ncc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2CNS(C)(=O)=O)s1 ZINC000409801653 230046727 /nfs/dbraw/zinc/04/67/27/230046727.db2.gz PXXXMUQDNUOBDK-ZJUUUORDSA-N -1 3 353.491 0.448 10 0 FCAEHM Cc1nc(C)c(S(=O)(=O)[N-][C@H]2CCC[C@@H]2CNS(C)(=O)=O)s1 ZINC000409794473 230046856 /nfs/dbraw/zinc/04/68/56/230046856.db2.gz PEUHYSJGMWQNEV-MNOVXSKESA-N -1 3 367.518 0.756 10 0 FCAEHM C[C@]1(c2cccc(C(=O)NCC[C@H](O)C(F)(F)F)c2)NC(=O)[N-]C1=O ZINC000410053828 230056301 /nfs/dbraw/zinc/05/63/01/230056301.db2.gz VZFWTBCOQWFBAO-IINYFYTJSA-N -1 3 359.304 0.784 10 0 FCAEHM C[C@]1(c2ccc(C(=O)NCC[C@H](O)C(F)(F)F)cc2)NC(=O)[N-]C1=O ZINC000410063559 230058498 /nfs/dbraw/zinc/05/84/98/230058498.db2.gz WLKRCNJBSSPOSI-IINYFYTJSA-N -1 3 359.304 0.784 10 0 FCAEHM COC1(c2noc(CCn3[n-]c(=O)c4ccccc4c3=O)n2)CCOCC1 ZINC000278324121 488868150 /nfs/dbraw/zinc/86/81/50/488868150.db2.gz XVWVZQPIHHWZGU-UHFFFAOYSA-N -1 3 372.381 0.968 10 0 FCAEHM COC(=O)[C@@H](CF)[N-]S(=O)(=O)c1ccc(CCNC(C)=O)s1 ZINC000287482502 488873874 /nfs/dbraw/zinc/87/38/74/488873874.db2.gz QMMCRNHKCNDLKW-SNVBAGLBSA-N -1 3 352.409 0.216 10 0 FCAEHM O=C1[N-]C(=O)[C@@]2(CCCN(Cc3c[nH]nc3-c3ccc4c(c3)OCO4)C2)N1 ZINC000278988949 488909292 /nfs/dbraw/zinc/90/92/92/488909292.db2.gz AIBXEVOXWHOQNH-SFHVURJKSA-N -1 3 369.381 0.979 10 0 FCAEHM CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)C[C@@H]2NC(=O)[N-]C2=O)CC1 ZINC000364008342 488911802 /nfs/dbraw/zinc/91/18/02/488911802.db2.gz IEQAUTWJIGVWQX-MNOVXSKESA-N -1 3 354.407 0.490 10 0 FCAEHM CS(=O)(=O)c1cccc(OCCN2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000279055053 488913995 /nfs/dbraw/zinc/91/39/95/488913995.db2.gz KYQBJJWMBYRESY-INIZCTEOSA-N -1 3 367.427 0.143 10 0 FCAEHM CCNC(=O)c1cccc(NC(=O)CN2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000279063691 488914736 /nfs/dbraw/zinc/91/47/36/488914736.db2.gz LXLFBXDKFASDCD-GOSISDBHSA-N -1 3 373.413 0.049 10 0 FCAEHM COC(=O)c1ccccc1NC(=O)CN1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279103266 488917691 /nfs/dbraw/zinc/91/76/91/488917691.db2.gz RFMGXYMWYKOWGJ-QGZVFWFLSA-N -1 3 360.370 0.086 10 0 FCAEHM Cn1nccc1N1CCC[C@H]([N-]S(=O)(=O)CC[C@@H]2CCCO2)C1=O ZINC000328612905 488923248 /nfs/dbraw/zinc/92/32/48/488923248.db2.gz QAAFYVJBBZRDJN-STQMWFEESA-N -1 3 356.448 0.404 10 0 FCAEHM O=C(CN1CCC[C@]2(C1)NC(=O)[N-]C2=O)Nc1nc2ccccc2s1 ZINC000279144029 488919936 /nfs/dbraw/zinc/91/99/36/488919936.db2.gz XXCDLWJOYXSCSC-MRXNPFEDSA-N -1 3 359.411 0.909 10 0 FCAEHM CN(CC(=O)[O-])C[C@H]1CN(C(=O)c2cc3c(c(Cl)c2)OCO3)CCO1 ZINC000328602719 488922857 /nfs/dbraw/zinc/92/28/57/488922857.db2.gz CLGGAVDFRJHOFY-NSHDSACASA-N -1 3 370.789 0.926 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCC[C@H]1c1cc[nH]n1 ZINC000279289390 488929720 /nfs/dbraw/zinc/92/97/20/488929720.db2.gz YLNFPIURJMBNPU-JTQLQIEISA-N -1 3 368.191 0.798 10 0 FCAEHM O=C(CCCNC(=O)c1ccccc1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279355942 488934992 /nfs/dbraw/zinc/93/49/92/488934992.db2.gz CSEHUMNLXYVFCC-SFHVURJKSA-N -1 3 358.398 0.397 10 0 FCAEHM O=C(Nc1ccc(C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1)C1CC1 ZINC000279425972 488940865 /nfs/dbraw/zinc/94/08/65/488940865.db2.gz ISGMWENFTZWGPM-SFHVURJKSA-N -1 3 356.382 0.849 10 0 FCAEHM O=C(c1c[nH]c(=S)n1-c1ccccc1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279453784 488943241 /nfs/dbraw/zinc/94/32/41/488943241.db2.gz KRPJEWPRXQOVDM-QGZVFWFLSA-N -1 3 371.422 0.975 10 0 FCAEHM Cc1ccc(N2C[C@@H](C(=O)N3CCC[C@@]4(C3)NC(=O)[N-]C4=O)CC2=O)cc1 ZINC000279429526 488941701 /nfs/dbraw/zinc/94/17/01/488941701.db2.gz JALBSPFQUQXMEQ-DJJJIMSYSA-N -1 3 370.409 0.549 10 0 FCAEHM Cc1ccc(N2C[C@@H](C(=O)N3CCC[C@]4(C3)NC(=O)[N-]C4=O)CC2=O)cc1 ZINC000279429529 488941865 /nfs/dbraw/zinc/94/18/65/488941865.db2.gz JALBSPFQUQXMEQ-ORAYPTAESA-N -1 3 370.409 0.549 10 0 FCAEHM O=C(c1cncnc1-c1ccccc1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279543217 488951000 /nfs/dbraw/zinc/95/10/00/488951000.db2.gz QUORBLPYIZENQA-GOSISDBHSA-N -1 3 351.366 0.958 10 0 FCAEHM CC(=O)CCc1ccc(OCC(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000279539019 488951075 /nfs/dbraw/zinc/95/10/75/488951075.db2.gz QPSMAHWWCWXPPO-LJQANCHMSA-N -1 3 373.409 0.788 10 0 FCAEHM C[C@@H]1Oc2ccccc2N(CC(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)C1=O ZINC000279547085 488951712 /nfs/dbraw/zinc/95/17/12/488951712.db2.gz RCMKVNMOBPVVII-VOJFVSQTSA-N -1 3 372.381 0.001 10 0 FCAEHM CCn1cc(S(=O)(=O)[N-][C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)nc1C ZINC000328937941 488953111 /nfs/dbraw/zinc/95/31/11/488953111.db2.gz GNHSKVHLBVQUJO-IAQYHMDHSA-N -1 3 366.447 0.195 10 0 FCAEHM CC(C)NC(=O)c1ccc(C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000279571138 488953259 /nfs/dbraw/zinc/95/32/59/488953259.db2.gz STYSAECWCIOQNM-SFHVURJKSA-N -1 3 358.398 0.639 10 0 FCAEHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)c1 ZINC000328943554 488953485 /nfs/dbraw/zinc/95/34/85/488953485.db2.gz IXJJQUKDRWDYEK-IAQYHMDHSA-N -1 3 366.447 0.448 10 0 FCAEHM CCOC(=O)C1CCN(S(=O)(=O)[N-]c2ccc(C(=O)OC)nc2)CC1 ZINC000288180390 488953577 /nfs/dbraw/zinc/95/35/77/488953577.db2.gz DWNMAJGCBRYBRA-UHFFFAOYSA-N -1 3 371.415 0.800 10 0 FCAEHM CCCC[C@H](NC(=O)NCC)C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279588123 488954151 /nfs/dbraw/zinc/95/41/51/488954151.db2.gz UWBMXJJAIBRISM-MEDUHNTESA-N -1 3 353.423 0.065 10 0 FCAEHM CCCC[C@@H](NC(=O)NCC)C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279588116 488954405 /nfs/dbraw/zinc/95/44/05/488954405.db2.gz UWBMXJJAIBRISM-BDJLRTHQSA-N -1 3 353.423 0.065 10 0 FCAEHM O=C(C[C@H](O)c1ccc(Cl)cc1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279633362 488958362 /nfs/dbraw/zinc/95/83/62/488958362.db2.gz YGRGCZNUUXUZEO-LRDDRELGSA-N -1 3 351.790 0.964 10 0 FCAEHM CCNC(=O)N1CC[C@H]([N-]S(=O)(=O)c2cnc(NC(C)=O)s2)C1 ZINC000288276350 488964871 /nfs/dbraw/zinc/96/48/71/488964871.db2.gz UWGYEAASSJVKKX-VIFPVBQESA-N -1 3 361.449 0.184 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1cccc(NC(=O)c2ccncc2)c1 ZINC000056888528 488261189 /nfs/dbraw/zinc/26/11/89/488261189.db2.gz RFOTWGONYRVGHO-ZDUSSCGKSA-N -1 3 353.338 0.871 10 0 FCAEHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCNC(=O)CC2)ccc1F ZINC000065902371 488322684 /nfs/dbraw/zinc/32/26/84/488322684.db2.gz GTJQFKITLKYUEY-UHFFFAOYSA-N -1 3 371.434 0.865 10 0 FCAEHM C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000068100957 488360775 /nfs/dbraw/zinc/36/07/75/488360775.db2.gz SJKSSZBSMMMMKH-WDEREUQCSA-N -1 3 359.473 0.529 10 0 FCAEHM NC(=O)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000068216371 488362655 /nfs/dbraw/zinc/36/26/55/488362655.db2.gz AZIXCXKNEDCIJJ-AWEZNQCLSA-N -1 3 371.374 0.176 10 0 FCAEHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@@H]1COCCN1CC(F)F ZINC000185846812 488403175 /nfs/dbraw/zinc/40/31/75/488403175.db2.gz GJBVSDFRAOTPPD-LBPRGKRZSA-N -1 3 352.345 0.695 10 0 FCAEHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@@H]1COCCN1CC(F)F ZINC000185846812 488403178 /nfs/dbraw/zinc/40/31/78/488403178.db2.gz GJBVSDFRAOTPPD-LBPRGKRZSA-N -1 3 352.345 0.695 10 0 FCAEHM CCN(CC(N)=O)C(=O)c1c(C)oc2[n-]c(=O)n(-c3ccccc3)c(=O)c21 ZINC000188266963 488411677 /nfs/dbraw/zinc/41/16/77/488411677.db2.gz ZXLKLQJPIIELHF-UHFFFAOYSA-N -1 3 370.365 0.528 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H]1CCO[C@@H]1c1cnn(C)c1 ZINC000189201235 488414307 /nfs/dbraw/zinc/41/43/07/488414307.db2.gz NNOUOEMKKGUHSS-WDEREUQCSA-N -1 3 359.839 0.924 10 0 FCAEHM CC(=O)N1CCN(C(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)[C@H](C)C1 ZINC000269151157 488474081 /nfs/dbraw/zinc/47/40/81/488474081.db2.gz OOFIWNBKGKJMBS-ADLMAVQZSA-N -1 3 358.398 0.434 10 0 FCAEHM CN([C@H]1CCOC1)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000269360388 488495481 /nfs/dbraw/zinc/49/54/81/488495481.db2.gz VKXRRDJSXGYUAF-VIFPVBQESA-N -1 3 352.409 0.607 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)n[n-]1 ZINC000269364605 488496044 /nfs/dbraw/zinc/49/60/44/488496044.db2.gz DWSZTLKFPWIXJO-MRXNPFEDSA-N -1 3 357.374 0.469 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)[n-]n1 ZINC000269364605 488496047 /nfs/dbraw/zinc/49/60/47/488496047.db2.gz DWSZTLKFPWIXJO-MRXNPFEDSA-N -1 3 357.374 0.469 10 0 FCAEHM CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(-c3nccn3C)[n-]n2)C1 ZINC000269379216 488497597 /nfs/dbraw/zinc/49/75/97/488497597.db2.gz MHRYVHRFIHEJEB-LLVKDONJSA-N -1 3 366.447 0.810 10 0 FCAEHM CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(-c3nccn3C)n[n-]2)C1 ZINC000269379216 488497600 /nfs/dbraw/zinc/49/76/00/488497600.db2.gz MHRYVHRFIHEJEB-LLVKDONJSA-N -1 3 366.447 0.810 10 0 FCAEHM CCC1CCC(NS(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)CC1 ZINC000103155989 488500364 /nfs/dbraw/zinc/50/03/64/488500364.db2.gz UQESCXRWLBRHIZ-UHFFFAOYSA-N -1 3 366.443 0.869 10 0 FCAEHM COC(=O)COc1ccc(NC(=O)CN2CC(=O)[N-]C2=O)cc1Cl ZINC000269515887 488511106 /nfs/dbraw/zinc/51/11/06/488511106.db2.gz GPMDIWDLGVUTEY-UHFFFAOYSA-N -1 3 355.734 0.382 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)nc1=N ZINC000569980560 491207737 /nfs/dbraw/zinc/20/77/37/491207737.db2.gz GIRCJRCENUHRBS-GXTWGEPZSA-N -1 3 354.414 0.944 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1cccn(C)c1=O ZINC000114348219 488539961 /nfs/dbraw/zinc/53/99/61/488539961.db2.gz AWVROIJGDHENDX-JTQLQIEISA-N -1 3 353.375 0.830 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC[C@@H]2c2ccco2)cn1C ZINC000116211724 488546756 /nfs/dbraw/zinc/54/67/56/488546756.db2.gz RZDMQYYPUNTOKX-GFCCVEGCSA-N -1 3 352.416 0.964 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N(C)C1(C(N)=O)CCCC1 ZINC000272329251 488573473 /nfs/dbraw/zinc/57/34/73/488573473.db2.gz LFWLUDZVAMYMDS-NSHDSACASA-N -1 3 371.434 0.749 10 0 FCAEHM COCCOc1ccc(-n2nc(C)c(C(=O)Nc3nnc(OC)[n-]3)n2)cc1 ZINC000272381850 488577121 /nfs/dbraw/zinc/57/71/21/488577121.db2.gz BYBSZOYNDZODJY-UHFFFAOYSA-N -1 3 373.373 0.980 10 0 FCAEHM COCCOc1ccc(-n2nc(C)c(C(=O)Nc3nc(OC)n[n-]3)n2)cc1 ZINC000272381850 488577123 /nfs/dbraw/zinc/57/71/23/488577123.db2.gz BYBSZOYNDZODJY-UHFFFAOYSA-N -1 3 373.373 0.980 10 0 FCAEHM COCCOc1ccc(-n2nc(C)c(C(=O)Nc3n[n-]c(OC)n3)n2)cc1 ZINC000272381850 488577125 /nfs/dbraw/zinc/57/71/25/488577125.db2.gz BYBSZOYNDZODJY-UHFFFAOYSA-N -1 3 373.373 0.980 10 0 FCAEHM COCCc1cc(NC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)n(C)n1 ZINC000123016507 488582024 /nfs/dbraw/zinc/58/20/24/488582024.db2.gz NPVLHJAINLZLKE-UHFFFAOYSA-N -1 3 371.397 0.641 10 0 FCAEHM Cn1ccc(S(=O)(=O)[N-][C@H]2CCN(S(=O)(=O)c3ccccc3)C2)n1 ZINC000563054993 491211034 /nfs/dbraw/zinc/21/10/34/491211034.db2.gz IHBHYGLLPTXBNS-LBPRGKRZSA-N -1 3 370.456 0.162 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)N1CCN2CCCC[C@H]2C1 ZINC000125551751 488602571 /nfs/dbraw/zinc/60/25/71/488602571.db2.gz QMTZPEOZLHPQLR-ZDUSSCGKSA-N -1 3 372.516 0.906 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]CCN2CCOCC2)c(Cl)c1 ZINC000263649634 488615978 /nfs/dbraw/zinc/61/59/78/488615978.db2.gz AXLOLDWHUAUZIU-UHFFFAOYSA-N -1 3 362.835 0.737 10 0 FCAEHM COCCNC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000263670042 488617320 /nfs/dbraw/zinc/61/73/20/488617320.db2.gz GLYWNVAKRWHVAI-UHFFFAOYSA-N -1 3 364.807 0.168 10 0 FCAEHM Cc1nc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@H]2O)[n-]c1Cc1ccccc1 ZINC000273308770 488643056 /nfs/dbraw/zinc/64/30/56/488643056.db2.gz BMTDGTSTXFGSIG-KGLIPLIRSA-N -1 3 370.452 0.241 10 0 FCAEHM Cc1[n-]c(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@H]2O)nc1Cc1ccccc1 ZINC000273308770 488643058 /nfs/dbraw/zinc/64/30/58/488643058.db2.gz BMTDGTSTXFGSIG-KGLIPLIRSA-N -1 3 370.452 0.241 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N3CCCSCC3)cnc21 ZINC000264037537 488644390 /nfs/dbraw/zinc/64/43/90/488644390.db2.gz CTVKCNSMDYKMDF-UHFFFAOYSA-N -1 3 356.429 0.162 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)NCCCN1CCOC1=O ZINC000264059239 488645759 /nfs/dbraw/zinc/64/57/59/488645759.db2.gz RPPXMJBYBJVPDF-UHFFFAOYSA-N -1 3 361.445 0.375 10 0 FCAEHM COc1ccnc(N2CCN(C(=O)c3ccc4c(c3)C(=O)[N-]C4=O)CC2)n1 ZINC000264242722 488657489 /nfs/dbraw/zinc/65/74/89/488657489.db2.gz OVXNAXWTULTRQC-UHFFFAOYSA-N -1 3 367.365 0.331 10 0 FCAEHM C[C@@H](CCNC(=O)CCn1[n-]c(=O)c2ccccc2c1=O)[S@@](C)=O ZINC000134762003 488668722 /nfs/dbraw/zinc/66/87/22/488668722.db2.gz ZMTYJUXYEHHTQK-BUBHHJDNSA-N -1 3 351.428 0.353 10 0 FCAEHM CCCCOC(=O)CNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000264379940 488668835 /nfs/dbraw/zinc/66/88/35/488668835.db2.gz COEGBTWMBRPBAJ-NSHDSACASA-N -1 3 360.407 0.952 10 0 FCAEHM CN1CC[C@@H](NC(=O)C[C@@H]2NC(=O)[N-]C2=O)[C@@H]1c1ccc(F)c(F)c1 ZINC000135248538 488671753 /nfs/dbraw/zinc/67/17/53/488671753.db2.gz QUQRIDMCGVUPJD-DYEKYZERSA-N -1 3 352.341 0.424 10 0 FCAEHM COc1ccc(Br)cc1CNC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000138426307 488682328 /nfs/dbraw/zinc/68/23/28/488682328.db2.gz VBXOIELEVXSINW-VIFPVBQESA-N -1 3 356.176 0.672 10 0 FCAEHM O=C(c1ccc2c(c1)S(=O)(=O)[N-]c1ncnn1-2)N1CCN2CCC[C@H]2C1 ZINC000264551390 488684789 /nfs/dbraw/zinc/68/47/89/488684789.db2.gz XZLMZSTWGODXFW-LBPRGKRZSA-N -1 3 374.426 0.302 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]Cc2cnc(N3CCOCC3)c(F)c2)c1 ZINC000274159597 488686900 /nfs/dbraw/zinc/68/69/00/488686900.db2.gz MIVPSSLDEOBRES-UHFFFAOYSA-N -1 3 355.395 0.269 10 0 FCAEHM C[C@@H]1CN(c2ccc(NC(=O)CN3CC(=O)[N-]C3=O)cc2F)C[C@H](C)O1 ZINC000264592574 488688211 /nfs/dbraw/zinc/68/82/11/488688211.db2.gz BARLJYCTWOFJTF-PHIMTYICSA-N -1 3 364.377 0.930 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NCCc1cc(Cl)c2c(c1)OCCO2 ZINC000264614520 488690744 /nfs/dbraw/zinc/69/07/44/488690744.db2.gz AMYXXARGXICMBH-UHFFFAOYSA-N -1 3 353.762 0.322 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NCc1ccc(COCC(F)(F)F)cc1 ZINC000264663077 488695937 /nfs/dbraw/zinc/69/59/37/488695937.db2.gz HXAGAKKRIVLRFU-UHFFFAOYSA-N -1 3 359.304 0.934 10 0 FCAEHM Cc1c(Cl)cccc1NC(=O)CCNC(=O)CN1CC(=O)[N-]C1=O ZINC000264700480 488700133 /nfs/dbraw/zinc/70/01/33/488700133.db2.gz BSUDWHCMRPTCNK-UHFFFAOYSA-N -1 3 352.778 0.645 10 0 FCAEHM C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)CN2CC(=O)[N-]C2=O)CC1 ZINC000264735172 488704784 /nfs/dbraw/zinc/70/47/84/488704784.db2.gz FTHQYJQLBBNWEQ-LLVKDONJSA-N -1 3 366.368 0.722 10 0 FCAEHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCO[C@]2(CCOC2)C1 ZINC000274398787 488705048 /nfs/dbraw/zinc/70/50/48/488705048.db2.gz JMWKFUBXLLBTHI-OAHLLOKOSA-N -1 3 354.384 0.491 10 0 FCAEHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000274398785 488705056 /nfs/dbraw/zinc/70/50/56/488705056.db2.gz JMWKFUBXLLBTHI-HNNXBMFYSA-N -1 3 354.384 0.491 10 0 FCAEHM C[C@H](CNC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)c1ccc(F)cc1F ZINC000151739694 488709053 /nfs/dbraw/zinc/70/90/53/488709053.db2.gz QFVUDMIXAVIETI-SNVBAGLBSA-N -1 3 372.397 0.897 10 0 FCAEHM Cc1n[nH]c(C)c1[N-]S(=O)(=O)CCCS(=O)(=O)N(C)C1CC1 ZINC000349522081 489307137 /nfs/dbraw/zinc/30/71/37/489307137.db2.gz VCSHYKQDVSWQRU-UHFFFAOYSA-N -1 3 350.466 0.582 10 0 FCAEHM COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)CN2CC(=O)[N-]C2=O)C1 ZINC000264835863 488717534 /nfs/dbraw/zinc/71/75/34/488717534.db2.gz JYNVXIUSVDABTK-LLVKDONJSA-N -1 3 366.805 0.595 10 0 FCAEHM CCOC(=O)N1CC[C@H]([N-]S(=O)(=O)c2c(C)nn(C)c2Cl)C1 ZINC000274650165 488725308 /nfs/dbraw/zinc/72/53/08/488725308.db2.gz NMKWDCZUBVOMMI-VIFPVBQESA-N -1 3 350.828 0.891 10 0 FCAEHM CC(=O)C[C@H]1COCCN1C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000274797735 488734467 /nfs/dbraw/zinc/73/44/67/488734467.db2.gz NZIQYBGXGQIXNQ-STQMWFEESA-N -1 3 372.418 0.699 10 0 FCAEHM COCCCCS(=O)(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000274899856 488742073 /nfs/dbraw/zinc/74/20/73/488742073.db2.gz ULMCRBBVWYQLQS-UHFFFAOYSA-N -1 3 356.444 0.906 10 0 FCAEHM COc1cccc(N2CCC[C@@H](NC(=O)c3[nH]c(=O)[n-]c(=O)c3N)C2)c1 ZINC000266919408 488743835 /nfs/dbraw/zinc/74/38/35/488743835.db2.gz VTLVOKMJQWXMOJ-SNVBAGLBSA-N -1 3 359.386 0.877 10 0 FCAEHM CCN1CCC[C@@H]([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)C1 ZINC000155699455 488757758 /nfs/dbraw/zinc/75/77/58/488757758.db2.gz MQELRWJECURNLR-LLVKDONJSA-N -1 3 364.464 0.992 10 0 FCAEHM CNS(=O)(=O)[C@H]1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000155721798 488758266 /nfs/dbraw/zinc/75/82/66/488758266.db2.gz VPKMQDNFMJWWQK-JTQLQIEISA-N -1 3 362.411 0.793 10 0 FCAEHM C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)CN1CC(=O)[N-]C1=O ZINC000275129610 488764703 /nfs/dbraw/zinc/76/47/03/488764703.db2.gz LKNQFSFMDARHES-QWRGUYRKSA-N -1 3 354.407 0.300 10 0 FCAEHM O=C(CNC(=O)c1cccc([O-])c1)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000275140833 488765548 /nfs/dbraw/zinc/76/55/48/488765548.db2.gz NAAUALAZZMKGML-CQSZACIVSA-N -1 3 355.398 0.697 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000156805350 488767721 /nfs/dbraw/zinc/76/77/21/488767721.db2.gz NCUBTZFHBHNOLO-LLVKDONJSA-N -1 3 372.390 0.942 10 0 FCAEHM C[C@@H]1COCC[C@H]1NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000278032573 488797172 /nfs/dbraw/zinc/79/71/72/488797172.db2.gz XCGAFJIPGPGPTR-BXKDBHETSA-N -1 3 366.436 0.901 10 0 FCAEHM CCn1c(=O)[n-]c(=O)c2c(C(=O)N(C)[C@@H]3CCOC3)cc(C3CC3)nc21 ZINC000162647197 488803818 /nfs/dbraw/zinc/80/38/18/488803818.db2.gz ZADVNLYYIYGSDL-LLVKDONJSA-N -1 3 358.398 0.843 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](C(=O)OC)C2)ccc1F ZINC000267695036 488812888 /nfs/dbraw/zinc/81/28/88/488812888.db2.gz FFSDANCOXNXRPY-NSHDSACASA-N -1 3 358.391 0.759 10 0 FCAEHM Cc1cc(N2CCC[C@@H](NC(=O)c3ccc4n[n-]nc4c3)C2=O)n(C)n1 ZINC000173066708 488840352 /nfs/dbraw/zinc/84/03/52/488840352.db2.gz ADUANSFVJLAWAG-CYBMUJFWSA-N -1 3 353.386 0.925 10 0 FCAEHM COC(=O)c1ccc(CCC(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000364596592 488976205 /nfs/dbraw/zinc/97/62/05/488976205.db2.gz CBZKAOUITTTYLD-SFHVURJKSA-N -1 3 359.382 0.606 10 0 FCAEHM COc1ccc2c(c1)[n-]cc(C(=O)NCc1nnc3n1CCOC3)c2=O ZINC000364716936 488991063 /nfs/dbraw/zinc/99/10/63/488991063.db2.gz HRKNJOFSHAWMRC-UHFFFAOYSA-N -1 3 355.354 0.588 10 0 FCAEHM COC(=O)CCCO[N-]C(=O)Nc1ccc(OC)c(-n2nnnc2C)c1 ZINC000288659862 489002012 /nfs/dbraw/zinc/00/20/12/489002012.db2.gz APRLQFPFNOSMNW-UHFFFAOYSA-N -1 3 364.362 0.986 10 0 FCAEHM COc1ccc(-n2cc(C[N-]S(=O)(=O)[C@H]3CCO[C@H]3C)nn2)cc1 ZINC000364794144 489003087 /nfs/dbraw/zinc/00/30/87/489003087.db2.gz QYTFKHFRNGOMLX-NHYWBVRUSA-N -1 3 352.416 0.873 10 0 FCAEHM CC(=O)N(CCc1ccccc1)CC(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000365117181 489040677 /nfs/dbraw/zinc/04/06/77/489040677.db2.gz BUQDIRLFRUVFJB-IBGZPJMESA-N -1 3 372.425 0.278 10 0 FCAEHM Cc1ccc([C@@H](NC(=O)CN2CC(=O)[N-]C2=O)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280931291 489041804 /nfs/dbraw/zinc/04/18/04/489041804.db2.gz ILTUUFSMESUZMS-ABAIWWIYSA-N -1 3 367.427 0.137 10 0 FCAEHM COc1ccccc1CN(C)C(=O)CN1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000289175092 489047057 /nfs/dbraw/zinc/04/70/57/489047057.db2.gz FOIBXABVVNPJMZ-CQSZACIVSA-N -1 3 359.430 0.945 10 0 FCAEHM CNC(=O)c1cccc(NC(=O)[C@@H](C)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000289428797 489066860 /nfs/dbraw/zinc/06/68/60/489066860.db2.gz NJQVHKMGHKGASL-YPMHNXCESA-N -1 3 372.429 0.664 10 0 FCAEHM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-][C@H](C)[C@H](C)OC)c1 ZINC000289618362 489081826 /nfs/dbraw/zinc/08/18/26/489081826.db2.gz RHHYSAQHKOCRLR-ZJUUUORDSA-N -1 3 359.400 0.962 10 0 FCAEHM CCOc1ccc(NC(=O)C[N-]S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000330426734 489100514 /nfs/dbraw/zinc/10/05/14/489100514.db2.gz WKOGYTORWAEECV-CHWSQXEVSA-N -1 3 371.459 0.967 10 0 FCAEHM COCCN1CC[C@@H]([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)C1 ZINC000289956250 489105079 /nfs/dbraw/zinc/10/50/79/489105079.db2.gz SSJQAMWFAVCKDK-GFCCVEGCSA-N -1 3 360.432 0.682 10 0 FCAEHM COC(=O)[C@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000290233341 489123691 /nfs/dbraw/zinc/12/36/91/489123691.db2.gz ZMZXHBJUHNHUMX-NSHDSACASA-N -1 3 358.391 0.516 10 0 FCAEHM CC(C)(C)OC(=O)NC[C@@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)C(C)(C)C ZINC000282108773 489135027 /nfs/dbraw/zinc/13/50/27/489135027.db2.gz WTODIMJUZYSYOV-VHSXEESVSA-N -1 3 356.423 0.640 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000282109098 489135080 /nfs/dbraw/zinc/13/50/80/489135080.db2.gz FMCROLTYRXKCKB-VIFPVBQESA-N -1 3 372.150 0.690 10 0 FCAEHM NC(=O)COCC[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000282305931 489152702 /nfs/dbraw/zinc/15/27/02/489152702.db2.gz MQOJBYBGDITRRR-UHFFFAOYSA-N -1 3 371.640 0.883 10 0 FCAEHM O=C1[N-]C(=O)[C@]2(CCCN(S(=O)(=O)c3cccc4cccnc43)C2)N1 ZINC000366160243 489152895 /nfs/dbraw/zinc/15/28/95/489152895.db2.gz RCLMWDUSUWVBCW-MRXNPFEDSA-N -1 3 360.395 0.598 10 0 FCAEHM CN(C)c1nc(C(=O)N2CSC[C@@H]2C(=O)NC(C)(C)C)cc(=O)[n-]1 ZINC000330910139 489156660 /nfs/dbraw/zinc/15/66/60/489156660.db2.gz GQDMSXAQIODASM-SNVBAGLBSA-N -1 3 353.448 0.678 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@@H](C)CS(C)(=O)=O ZINC000290709422 489159958 /nfs/dbraw/zinc/15/99/58/489159958.db2.gz JGCKFMNYQILCGJ-ZETCQYMHSA-N -1 3 353.418 0.394 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@@H]1CCN(C(C)C)C1=O ZINC000290863696 489169801 /nfs/dbraw/zinc/16/98/01/489169801.db2.gz XMERGQQXCUKGKZ-LLVKDONJSA-N -1 3 358.416 0.971 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]CCCN1C(=O)CCC1=O ZINC000290867584 489170629 /nfs/dbraw/zinc/17/06/29/489170629.db2.gz XWNSEWHQRWPDFL-UHFFFAOYSA-N -1 3 372.399 0.500 10 0 FCAEHM Cn1cc([C@@H]2C[C@H]2C(=O)NCC[N-]S(=O)(=O)c2cccs2)cn1 ZINC000366436167 489181567 /nfs/dbraw/zinc/18/15/67/489181567.db2.gz JNENBGBBKPTBAY-NWDGAFQWSA-N -1 3 354.457 0.680 10 0 FCAEHM C[C@@H](O)[C@H]1CN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)CCO1 ZINC000331301631 489195711 /nfs/dbraw/zinc/19/57/11/489195711.db2.gz ADKGASMNLFEJHG-DMDPSCGWSA-N -1 3 360.407 0.101 10 0 FCAEHM C[C@@H](O)[C@@H]1CN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)CCO1 ZINC000331301637 489195776 /nfs/dbraw/zinc/19/57/76/489195776.db2.gz ADKGASMNLFEJHG-LOWVWBTDSA-N -1 3 360.407 0.101 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(-c3ccncc3)[nH]n2)cn1 ZINC000368516984 489219569 /nfs/dbraw/zinc/21/95/69/489219569.db2.gz WTPXUKMUAQNUOU-UHFFFAOYSA-N -1 3 358.383 1.027 10 0 FCAEHM Cc1ccc(N2C[C@H](C(=O)Nc3[n-]nnc3C(=O)NC3CC3)CC2=O)cc1 ZINC000297700725 489226051 /nfs/dbraw/zinc/22/60/51/489226051.db2.gz JWNOGIAESOINCQ-LLVKDONJSA-N -1 3 368.397 0.997 10 0 FCAEHM Cc1ccc(N2C[C@H](C(=O)Nc3nn[n-]c3C(=O)NC3CC3)CC2=O)cc1 ZINC000297700725 489226052 /nfs/dbraw/zinc/22/60/52/489226052.db2.gz JWNOGIAESOINCQ-LLVKDONJSA-N -1 3 368.397 0.997 10 0 FCAEHM Cc1ccc(N2C[C@H](C(=O)Nc3n[n-]nc3C(=O)NC3CC3)CC2=O)cc1 ZINC000297700725 489226055 /nfs/dbraw/zinc/22/60/55/489226055.db2.gz JWNOGIAESOINCQ-LLVKDONJSA-N -1 3 368.397 0.997 10 0 FCAEHM COc1ccc2c(c1)C[C@@H](C(=O)Nc1[n-]nnc1C(=O)NC1CC1)CO2 ZINC000297741437 489233650 /nfs/dbraw/zinc/23/36/50/489233650.db2.gz NELDNUDSVKSGKN-SNVBAGLBSA-N -1 3 357.370 0.895 10 0 FCAEHM COc1ccc2c(c1)C[C@@H](C(=O)Nc1nn[n-]c1C(=O)NC1CC1)CO2 ZINC000297741437 489233654 /nfs/dbraw/zinc/23/36/54/489233654.db2.gz NELDNUDSVKSGKN-SNVBAGLBSA-N -1 3 357.370 0.895 10 0 FCAEHM COc1ccc2c(c1)C[C@@H](C(=O)Nc1n[n-]nc1C(=O)NC1CC1)CO2 ZINC000297741437 489233657 /nfs/dbraw/zinc/23/36/57/489233657.db2.gz NELDNUDSVKSGKN-SNVBAGLBSA-N -1 3 357.370 0.895 10 0 FCAEHM C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1[n-]nnc1C(=O)NC1CC1)CS2 ZINC000297795621 489241586 /nfs/dbraw/zinc/24/15/86/489241586.db2.gz RVGOUUPKNVRUMV-CLAHSXSESA-N -1 3 350.404 0.089 10 0 FCAEHM C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1nn[n-]c1C(=O)NC1CC1)CS2 ZINC000297795621 489241590 /nfs/dbraw/zinc/24/15/90/489241590.db2.gz RVGOUUPKNVRUMV-CLAHSXSESA-N -1 3 350.404 0.089 10 0 FCAEHM C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1n[n-]nc1C(=O)NC1CC1)CS2 ZINC000297795621 489241592 /nfs/dbraw/zinc/24/15/92/489241592.db2.gz RVGOUUPKNVRUMV-CLAHSXSESA-N -1 3 350.404 0.089 10 0 FCAEHM C[C@@]1(C(=O)Nc2[n-]nnc2C(=O)NC2CC2)Cc2ccccc2C(=O)O1 ZINC000297864459 489253913 /nfs/dbraw/zinc/25/39/13/489253913.db2.gz YZRURJOTXHDDGR-KRWDZBQOSA-N -1 3 355.354 0.807 10 0 FCAEHM C[C@@]1(C(=O)Nc2nn[n-]c2C(=O)NC2CC2)Cc2ccccc2C(=O)O1 ZINC000297864459 489253914 /nfs/dbraw/zinc/25/39/14/489253914.db2.gz YZRURJOTXHDDGR-KRWDZBQOSA-N -1 3 355.354 0.807 10 0 FCAEHM C[C@@]1(C(=O)Nc2n[n-]nc2C(=O)NC2CC2)Cc2ccccc2C(=O)O1 ZINC000297864459 489253918 /nfs/dbraw/zinc/25/39/18/489253918.db2.gz YZRURJOTXHDDGR-KRWDZBQOSA-N -1 3 355.354 0.807 10 0 FCAEHM CC(C)(C)OC(=O)N1CC(C(=O)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)C1 ZINC000283522029 489270012 /nfs/dbraw/zinc/27/00/12/489270012.db2.gz KPNIOWMIGXUOQK-JTQLQIEISA-N -1 3 351.407 0.671 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]Cc1nc(C(N)=O)cs1)C1CCOCC1 ZINC000657179296 492737837 /nfs/dbraw/zinc/73/78/37/492737837.db2.gz UIQZVCJAOQPLJC-LLVKDONJSA-N -1 3 363.461 0.103 10 0 FCAEHM O=C1N[C@H](CC2CC2)C(=O)N1CC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000348652572 489276914 /nfs/dbraw/zinc/27/69/14/489276914.db2.gz LAXPRQAUXZNJRF-GFCCVEGCSA-N -1 3 373.381 0.964 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CN2C(=O)N[C@@H](c3ccn(C)n3)C2=O)s1 ZINC000348997984 489281559 /nfs/dbraw/zinc/28/15/59/489281559.db2.gz BQDDZDODNPUJIO-NSHDSACASA-N -1 3 369.428 0.183 10 0 FCAEHM C[C@@H](CO)N(C)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000283686859 489291485 /nfs/dbraw/zinc/29/14/85/489291485.db2.gz QRGUSBHBFWYXJO-QMMMGPOBSA-N -1 3 355.869 0.702 10 0 FCAEHM CC(C)C(=O)N1CCN(C(=O)C[N-]S(=O)(=O)c2ccccc2F)CC1 ZINC000298167125 489299139 /nfs/dbraw/zinc/29/91/39/489299139.db2.gz MTPFJEISXVBCGG-UHFFFAOYSA-N -1 3 371.434 0.431 10 0 FCAEHM CN(CC[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)CC(F)F ZINC000625675591 492857188 /nfs/dbraw/zinc/85/71/88/492857188.db2.gz SFFKTKMJFMBYBX-UHFFFAOYSA-N -1 3 356.416 0.565 10 0 FCAEHM Cc1n[nH]c(C)c1[N-]S(=O)(=O)CCCS(=O)(=O)N(C)CC1CC1 ZINC000349516580 489305934 /nfs/dbraw/zinc/30/59/34/489305934.db2.gz JPUXRPLACZQBIA-UHFFFAOYSA-N -1 3 364.493 0.830 10 0 FCAEHM C[C@H]1CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2cn[nH]c2)[C@H]1C ZINC000349605222 489326129 /nfs/dbraw/zinc/32/61/29/489326129.db2.gz GOAMOYLGSHIQEP-QWRGUYRKSA-N -1 3 350.466 0.602 10 0 FCAEHM Cc1ncc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CCCO2)cn1 ZINC000349606100 489326417 /nfs/dbraw/zinc/32/64/17/489326417.db2.gz IRJDMVYQKTZEPY-UHFFFAOYSA-N -1 3 364.449 0.274 10 0 FCAEHM CCn1cc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CCCO2)cn1 ZINC000349606602 489326940 /nfs/dbraw/zinc/32/69/40/489326940.db2.gz KBBXFTFYQZBEGE-UHFFFAOYSA-N -1 3 366.465 0.392 10 0 FCAEHM CO[C@@](C)(c1noc(CC[N-]S(=O)(=O)c2cn(C)c(C)n2)n1)C1CC1 ZINC000350433381 489339229 /nfs/dbraw/zinc/33/92/29/489339229.db2.gz OBSDRQQTWHKTJE-OAHLLOKOSA-N -1 3 369.447 0.904 10 0 FCAEHM COc1cc(N2CCN(C(=O)c3cc(=O)[n-]c(N(C)C)n3)CC2)ncn1 ZINC000555287422 491244185 /nfs/dbraw/zinc/24/41/85/491244185.db2.gz GMIGSIIRIFIGKY-UHFFFAOYSA-N -1 3 359.390 0.009 10 0 FCAEHM COc1nc(NC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)n[n-]1 ZINC000370366313 489350537 /nfs/dbraw/zinc/35/05/37/489350537.db2.gz JWTWWTTXYSYCQE-ZDUSSCGKSA-N -1 3 370.369 0.228 10 0 FCAEHM COc1nnc(NC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)[n-]1 ZINC000370366313 489350539 /nfs/dbraw/zinc/35/05/39/489350539.db2.gz JWTWWTTXYSYCQE-ZDUSSCGKSA-N -1 3 370.369 0.228 10 0 FCAEHM COc1n[n-]c(NC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)n1 ZINC000370366313 489350541 /nfs/dbraw/zinc/35/05/41/489350541.db2.gz JWTWWTTXYSYCQE-ZDUSSCGKSA-N -1 3 370.369 0.228 10 0 FCAEHM CCN(Cc1ccccc1)C(=O)Cc1noc(CN2CC(=O)[N-]C2=O)n1 ZINC000351009817 489353178 /nfs/dbraw/zinc/35/31/78/489353178.db2.gz WLXFFIYXXWRJQA-UHFFFAOYSA-N -1 3 357.370 0.713 10 0 FCAEHM O=C(NCc1ccccc1F)C1(c2noc(CN3CC(=O)[N-]C3=O)n2)CC1 ZINC000351036312 489353610 /nfs/dbraw/zinc/35/36/10/489353610.db2.gz ZLZFOFMJKILAQD-UHFFFAOYSA-N -1 3 373.344 0.609 10 0 FCAEHM COCCCn1c(=O)[n-]nc1SCC(=O)N1CCOC[C@H]1C1CC1 ZINC000361799773 489366626 /nfs/dbraw/zinc/36/66/26/489366626.db2.gz RSIUGEGXYHKLTD-LBPRGKRZSA-N -1 3 356.448 0.750 10 0 FCAEHM CCN(CCOCCO)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000370528289 489371138 /nfs/dbraw/zinc/37/11/38/489371138.db2.gz NMTCZFFTOYRKQV-OAHLLOKOSA-N -1 3 350.415 0.854 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)c2ccnc(O[C@@H]3CCOC3)c2)nc1=N ZINC000555529328 491252544 /nfs/dbraw/zinc/25/25/44/491252544.db2.gz BAYDVDSLQFVRQV-OLZOCXBDSA-N -1 3 358.402 0.768 10 0 FCAEHM C[C@@H]1Oc2c(cccc2C(=O)N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)NC1=O ZINC000555532420 491252773 /nfs/dbraw/zinc/25/27/73/491252773.db2.gz RTYPIRCPOPBQBV-JOYOIKCWSA-N -1 3 356.386 0.924 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)nc1=N ZINC000555533325 491252800 /nfs/dbraw/zinc/25/28/00/491252800.db2.gz GPVVPPMOHDQURI-DGCLKSJQSA-N -1 3 358.402 0.533 10 0 FCAEHM Cc1cc(NC(=O)CSCC(=O)N=c2cc(-c3ccncc3)[n-][nH]2)no1 ZINC000362861745 489402258 /nfs/dbraw/zinc/40/22/58/489402258.db2.gz OWZHILZAVGIDQU-UHFFFAOYSA-N -1 3 372.410 0.922 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)C[C@H]2Oc3ccccc3NC2=O)nc1=N ZINC000555534284 491253221 /nfs/dbraw/zinc/25/32/21/491253221.db2.gz LURRBEOEEUKANY-WCQYABFASA-N -1 3 356.386 0.681 10 0 FCAEHM C[C@@H](Cn1cncn1)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000299119163 489408059 /nfs/dbraw/zinc/40/80/59/489408059.db2.gz SMLXVHJRLVIVGY-QWRGUYRKSA-N -1 3 355.395 0.289 10 0 FCAEHM C[C@H](CS(C)(=O)=O)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000362984611 489409290 /nfs/dbraw/zinc/40/92/90/489409290.db2.gz SQOVRYCXRNPBKS-DGCLKSJQSA-N -1 3 354.428 0.546 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)N[C@@H]1CCC[C@@H](CO)C1 ZINC000299149911 489410884 /nfs/dbraw/zinc/41/08/84/489410884.db2.gz YTZJLDGJTHSPAE-VXGBXAGGSA-N -1 3 361.489 0.877 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)NCCCCN1CCOCC1 ZINC000299218043 489419444 /nfs/dbraw/zinc/41/94/44/489419444.db2.gz LOOWVKDQPDFIJP-UHFFFAOYSA-N -1 3 361.489 0.255 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)NCCCCN1CCOCC1 ZINC000299236578 489422794 /nfs/dbraw/zinc/42/27/94/489422794.db2.gz UVDJAFFSFAHUPK-UHFFFAOYSA-N -1 3 374.441 0.309 10 0 FCAEHM O=S(=O)([N-]C[C@H]1CN2CCN1CC2)c1cccnc1C(F)(F)F ZINC000286816661 489432727 /nfs/dbraw/zinc/43/27/27/489432727.db2.gz AHEHOCYYROTBTC-JTQLQIEISA-N -1 3 350.366 0.379 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CC(n2cncn2)C1 ZINC000370979303 489433541 /nfs/dbraw/zinc/43/35/41/489433541.db2.gz NEINKNCTEYKPQB-JTQLQIEISA-N -1 3 353.379 0.168 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 ZINC000371193652 489464529 /nfs/dbraw/zinc/46/45/29/489464529.db2.gz ADFJZUCPNJHCCR-OCCSQVGLSA-N -1 3 370.409 0.727 10 0 FCAEHM NC(=O)CN1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000363486102 489470617 /nfs/dbraw/zinc/47/06/17/489470617.db2.gz SQWGVFYOGPZODP-HNNXBMFYSA-N -1 3 374.441 0.016 10 0 FCAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CN3C(=O)C(=O)N(C)C3=O)cc2)n1 ZINC000363528916 489475934 /nfs/dbraw/zinc/47/59/34/489475934.db2.gz FIPSOSRHYPADIL-UHFFFAOYSA-N -1 3 369.337 0.104 10 0 FCAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@@H]1CCC(=O)N(C)C1 ZINC000451213681 489493051 /nfs/dbraw/zinc/49/30/51/489493051.db2.gz AVPFWMLRGKESIF-BDAKNGLRSA-N -1 3 360.354 0.411 10 0 FCAEHM COC(=O)c1ncccc1S(=O)(=O)[N-]C[C@@H](CO)c1ccccc1 ZINC000451283989 489497353 /nfs/dbraw/zinc/49/73/53/489497353.db2.gz HNAOQJUGBZKSLI-ZDUSSCGKSA-N -1 3 350.396 0.923 10 0 FCAEHM C[C@@H](C[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)Cn1ccnc1 ZINC000414472938 489500829 /nfs/dbraw/zinc/50/08/29/489500829.db2.gz UQMLRNHVSNSCQB-LBPRGKRZSA-N -1 3 357.457 0.901 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)N1CCN2CCOC[C@@H]2C1 ZINC000371869700 489520380 /nfs/dbraw/zinc/52/03/80/489520380.db2.gz JWYMTIGJSVOSHK-ZDUSSCGKSA-N -1 3 371.434 0.037 10 0 FCAEHM CO[C@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000451774866 489523205 /nfs/dbraw/zinc/52/32/05/489523205.db2.gz NVZONWMDTZLFER-NEPJUHHUSA-N -1 3 363.457 0.420 10 0 FCAEHM CC1(C)COC[C@H]1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000451982687 489535396 /nfs/dbraw/zinc/53/53/96/489535396.db2.gz TZUFCTXRYPWIEA-GFCCVEGCSA-N -1 3 351.421 0.933 10 0 FCAEHM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H]1COCC1(C)C ZINC000451986992 489536129 /nfs/dbraw/zinc/53/61/29/489536129.db2.gz YHSBHYKSURXDLS-ZDUSSCGKSA-N -1 3 362.473 0.640 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000372243616 489563109 /nfs/dbraw/zinc/56/31/09/489563109.db2.gz XVIQLYJTEPUANB-CYBMUJFWSA-N -1 3 355.398 0.827 10 0 FCAEHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]CCCN3C(=O)CNC3=O)cn21 ZINC000416391690 489588250 /nfs/dbraw/zinc/58/82/50/489588250.db2.gz RJIMKYSCLJYMBI-SNVBAGLBSA-N -1 3 355.420 0.001 10 0 FCAEHM COC[C@](C)(O)CCNC(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000455243891 489588908 /nfs/dbraw/zinc/58/89/08/489588908.db2.gz UFSOPMGYEMIIGP-CYBMUJFWSA-N -1 3 365.477 0.113 10 0 FCAEHM O=C(CNC(=O)c1cccc([O-])c1)NCCCc1nnc2ccccn21 ZINC000427121160 489594951 /nfs/dbraw/zinc/59/49/51/489594951.db2.gz HKXKUZCWBHIMBM-UHFFFAOYSA-N -1 3 353.382 0.914 10 0 FCAEHM COCCc1cc(NC(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)n(C)n1 ZINC000427123266 489595410 /nfs/dbraw/zinc/59/54/10/489595410.db2.gz WBEVBEPZSHBZKU-GOSISDBHSA-N -1 3 371.397 0.916 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC(F)(F)C[C@H]2CO)ccc1F ZINC000372554181 489598779 /nfs/dbraw/zinc/59/87/79/489598779.db2.gz OLMWKBACMDUREL-VIFPVBQESA-N -1 3 352.334 0.576 10 0 FCAEHM C[C@H](C[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F)N1CCCCC1=O ZINC000416519230 489604970 /nfs/dbraw/zinc/60/49/70/489604970.db2.gz DZMDFEODPOVQHD-SECBINFHSA-N -1 3 371.390 0.940 10 0 FCAEHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](CO)c2ccnn2C)c1 ZINC000416547488 489608782 /nfs/dbraw/zinc/60/87/82/489608782.db2.gz LSGBBQZJGCJJKW-CYBMUJFWSA-N -1 3 371.390 0.748 10 0 FCAEHM COc1cc(Br)ccc1CNC(=O)CN1CC(=O)[N-]C1=O ZINC000427955609 489631017 /nfs/dbraw/zinc/63/10/17/489631017.db2.gz LRDRQDUJKBHAFO-UHFFFAOYSA-N -1 3 356.176 0.626 10 0 FCAEHM COC[C@@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000457075406 489635063 /nfs/dbraw/zinc/63/50/63/489635063.db2.gz IFYHFAHRYNBONQ-CYBMUJFWSA-N -1 3 358.464 0.282 10 0 FCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000428069871 489636348 /nfs/dbraw/zinc/63/63/48/489636348.db2.gz LYPGZWZTANTKME-WDEREUQCSA-N -1 3 359.382 0.714 10 0 FCAEHM O=S(=O)([N-]CCNc1ccnc(N2CCOCC2)n1)c1cccs1 ZINC000563782662 491268736 /nfs/dbraw/zinc/26/87/36/491268736.db2.gz HATKZTNBDFUJBP-UHFFFAOYSA-N -1 3 369.472 0.765 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCN(CCO)[C@H](C)C1 ZINC000428522060 489652182 /nfs/dbraw/zinc/65/21/82/489652182.db2.gz ACTHGVIMFDDHIV-CYBMUJFWSA-N -1 3 371.441 0.208 10 0 FCAEHM Cn1ccc(NC(=O)C[N-]S(=O)(=O)Cc2ccc(F)c(Cl)c2)n1 ZINC000429321123 489682108 /nfs/dbraw/zinc/68/21/08/489682108.db2.gz DGBCSBXRQTWVOA-UHFFFAOYSA-N -1 3 360.798 1.271 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C(=O)OC)c2ccn(C)n2)oc1C ZINC000469101341 489689747 /nfs/dbraw/zinc/68/97/47/489689747.db2.gz XDIQRBNMVANLPW-GFCCVEGCSA-N -1 3 371.371 0.301 10 0 FCAEHM COCCc1cc(NC(=O)c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)n(C)n1 ZINC000489295462 489704792 /nfs/dbraw/zinc/70/47/92/489704792.db2.gz QQHOFEGXVJGCJZ-GOSISDBHSA-N -1 3 371.397 0.916 10 0 FCAEHM O=C(CN1CCC[C@@]2(C1)NC(=O)[N-]C2=O)NC1C2CC3CC(C2)CC1C3 ZINC000563848613 491272632 /nfs/dbraw/zinc/27/26/32/491272632.db2.gz APEDRBWUDNFUNU-YHMTWOOMSA-N -1 3 360.458 0.601 10 0 FCAEHM C[C@@]1(c2cccc(NC(=O)C3CN(CC(F)F)C3)c2)NC(=O)[N-]C1=O ZINC000469523320 489710629 /nfs/dbraw/zinc/71/06/29/489710629.db2.gz HAHIUJMBEMAHFR-INIZCTEOSA-N -1 3 352.341 0.877 10 0 FCAEHM C[C@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]C2CC2)CCC1=O ZINC000555807100 491274524 /nfs/dbraw/zinc/27/45/24/491274524.db2.gz QUNNNSJHLZIXDH-NSHDSACASA-N -1 3 372.468 0.727 10 0 FCAEHM COc1cc(OC)cc(OCCCNC(=O)C[C@@H]2NC(=O)[N-]C2=O)c1 ZINC000490174407 489752895 /nfs/dbraw/zinc/75/28/95/489752895.db2.gz PBZLWWHBFDXNLE-ZDUSSCGKSA-N -1 3 351.359 0.187 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)N2CCN3CCOC[C@H]3C2)ccc1F ZINC000376607968 489759602 /nfs/dbraw/zinc/75/96/02/489759602.db2.gz BMPOWXMVRCHYKH-GFCCVEGCSA-N -1 3 372.422 0.282 10 0 FCAEHM CCN1CCN(CCNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000376852682 489805822 /nfs/dbraw/zinc/80/58/22/489805822.db2.gz VWWDOTYOIAZIGP-QGZVFWFLSA-N -1 3 374.485 0.751 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1 ZINC000491998096 489815755 /nfs/dbraw/zinc/81/57/55/489815755.db2.gz WPVSSKJVNARRPB-QMMMGPOBSA-N -1 3 368.275 0.823 10 0 FCAEHM COCCCOC1CN(C(=O)c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)C1 ZINC000431707741 489815703 /nfs/dbraw/zinc/81/57/03/489815703.db2.gz IPEYTFQXOAQHOH-GOSISDBHSA-N -1 3 361.398 0.619 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1C[C@@H](CO)OC[C@@H]1C ZINC000492353852 489825599 /nfs/dbraw/zinc/82/55/99/489825599.db2.gz JVROGZNQMUODCZ-SRVKXCTJSA-N -1 3 360.407 0.101 10 0 FCAEHM COC(=O)C1CCN(S(=O)(=O)[N-][C@@](C)(c2noc(C)n2)C2CC2)CC1 ZINC000432259531 489835295 /nfs/dbraw/zinc/83/52/95/489835295.db2.gz SWELAEUBHVCRTQ-OAHLLOKOSA-N -1 3 372.447 0.723 10 0 FCAEHM C[C@]1(c2ccc(CNC(=O)NC[C@H](CO)C3CC3)cc2)NC(=O)[N-]C1=O ZINC000460347337 489864364 /nfs/dbraw/zinc/86/43/64/489864364.db2.gz BWKNPVNRDMQTSM-FZKQIMNGSA-N -1 3 360.414 0.559 10 0 FCAEHM C[C@@H]1COCC[C@H]1NC(=O)NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000433330089 489875966 /nfs/dbraw/zinc/87/59/66/489875966.db2.gz VZMRCQWELUJCMM-OMPKRAJASA-N -1 3 360.414 0.965 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)NC[C@]1(CCO)CCOC1 ZINC000476309246 489880256 /nfs/dbraw/zinc/88/02/56/489880256.db2.gz RRBFVCLLBNCPGP-SFHVURJKSA-N -1 3 361.398 0.398 10 0 FCAEHM COC(=O)C[C@@](C)(NC(=O)CN1CC(=O)[N-]C1=O)c1cccc(F)c1 ZINC000476779543 489915110 /nfs/dbraw/zinc/91/51/10/489915110.db2.gz OZWHFEKCDMLLCI-MRXNPFEDSA-N -1 3 351.334 0.272 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCNC[C@H]1C(F)F ZINC000377567903 489921474 /nfs/dbraw/zinc/92/14/74/489921474.db2.gz QDONCTPFNNOHGR-BDAKNGLRSA-N -1 3 353.416 0.480 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)c(C)o1 ZINC000434354370 489923461 /nfs/dbraw/zinc/92/34/61/489923461.db2.gz ZZLDILSRSIMAMT-UHFFFAOYSA-N -1 3 371.459 0.968 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC1(N2CCOCC2)CC1 ZINC000434769608 489956137 /nfs/dbraw/zinc/95/61/37/489956137.db2.gz WRDXLJUBKQMPOZ-UHFFFAOYSA-N -1 3 374.484 0.233 10 0 FCAEHM COC(=O)c1cc(C(C)(C)[N-]S(=O)(=O)CC2(C(=O)OC)CCC2)no1 ZINC000462133933 489960077 /nfs/dbraw/zinc/96/00/77/489960077.db2.gz WLPAHSMHRWOORH-UHFFFAOYSA-N -1 3 374.415 0.959 10 0 FCAEHM O=C(Cc1ccc(Br)cc1[O-])NCCCN1C(=O)CNC1=O ZINC000477373732 489960670 /nfs/dbraw/zinc/96/06/70/489960670.db2.gz PDIQPMRCHGGJCJ-UHFFFAOYSA-N -1 3 370.203 0.755 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000377857767 489969627 /nfs/dbraw/zinc/96/96/27/489969627.db2.gz UOUJNNZHIGJUQG-XXILOJSOSA-N -1 3 370.427 0.971 10 0 FCAEHM CCOC(=O)COc1ccc(CN2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000435030429 489975268 /nfs/dbraw/zinc/97/52/68/489975268.db2.gz RLDKMZUITDMNDX-GOSISDBHSA-N -1 3 361.398 0.803 10 0 FCAEHM COCCN1CCCN(C(=O)c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)CC1 ZINC000377940009 489983588 /nfs/dbraw/zinc/98/35/88/489983588.db2.gz DXOQFVGEHXNYHN-IBGZPJMESA-N -1 3 374.441 0.536 10 0 FCAEHM CNC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(CCNC(C)=O)s1)C(C)C ZINC000435230948 489990579 /nfs/dbraw/zinc/99/05/79/489990579.db2.gz SFNSIJKPTVYCAU-ZDUSSCGKSA-N -1 3 361.489 0.476 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)c2cnn3c2[nH]c(=O)c2ccccc23)n[n-]1 ZINC000435713813 490005457 /nfs/dbraw/zinc/00/54/57/490005457.db2.gz GPPXPADJBBSPMD-UHFFFAOYSA-N -1 3 374.364 1.552 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)c2cnn3c2[nH]c(=O)c2ccccc23)[n-]n1 ZINC000435713813 490005462 /nfs/dbraw/zinc/00/54/62/490005462.db2.gz GPPXPADJBBSPMD-UHFFFAOYSA-N -1 3 374.364 1.552 10 0 FCAEHM O=C(CN1CCC(c2n[n-]c(=O)o2)CC1)N1CCN(C(=O)C2CC2)CC1 ZINC000556087932 491293806 /nfs/dbraw/zinc/29/38/06/491293806.db2.gz BETKYTDGPOPQCH-UHFFFAOYSA-N -1 3 363.418 0.035 10 0 FCAEHM CC1(C)Cc2ccc(C(=O)NCC3CN(S(C)(=O)=O)C3)c([O-])c2O1 ZINC000436838496 490015203 /nfs/dbraw/zinc/01/52/03/490015203.db2.gz KYOOTMBPRARZTG-UHFFFAOYSA-N -1 3 354.428 0.727 10 0 FCAEHM C[C@H](O)[C@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)c1ccccc1F ZINC000564220928 491295084 /nfs/dbraw/zinc/29/50/84/491295084.db2.gz CIAVNKWFWMMMAJ-BONVTDFDSA-N -1 3 370.406 0.076 10 0 FCAEHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1ccc(CN2CCOCC2)cn1 ZINC000438767998 490037365 /nfs/dbraw/zinc/03/73/65/490037365.db2.gz SOLFJHLGANKFJX-UHFFFAOYSA-N -1 3 365.397 1.346 10 0 FCAEHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1ccc(CN2CCOCC2)cn1 ZINC000438767998 490037367 /nfs/dbraw/zinc/03/73/67/490037367.db2.gz SOLFJHLGANKFJX-UHFFFAOYSA-N -1 3 365.397 1.346 10 0 FCAEHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1ccc(CN2CCOCC2)cn1 ZINC000438767998 490037368 /nfs/dbraw/zinc/03/73/68/490037368.db2.gz SOLFJHLGANKFJX-UHFFFAOYSA-N -1 3 365.397 1.346 10 0 FCAEHM O=C(CN1CCC[C@H](C(=O)N2CCOCC2)C1)[N-]OCc1ccccc1 ZINC000378340394 490051817 /nfs/dbraw/zinc/05/18/17/490051817.db2.gz GLWJEOWEIXVPGD-KRWDZBQOSA-N -1 3 361.442 0.805 10 0 FCAEHM CCOC(=O)c1sc([C@@H](C)NC(=O)c2cn(C)c(=O)[n-]c2=O)nc1C ZINC000465150084 490087595 /nfs/dbraw/zinc/08/75/95/490087595.db2.gz VPBSZAXYQHKVDA-MRVPVSSYSA-N -1 3 366.399 0.919 10 0 FCAEHM COCCc1cc(NC(=O)C[N-]S(=O)(=O)c2cccs2)n(C)n1 ZINC000532671067 490094601 /nfs/dbraw/zinc/09/46/01/490094601.db2.gz SASZONDTECLRIN-UHFFFAOYSA-N -1 3 358.445 0.588 10 0 FCAEHM Cc1nc(C[N-]S(=O)(=O)[C@H]2CCCN(C(=O)C3CCCC3)C2)no1 ZINC000378566661 490095690 /nfs/dbraw/zinc/09/56/90/490095690.db2.gz LUQAKJDANSPYTH-ZDUSSCGKSA-N -1 3 356.448 0.979 10 0 FCAEHM C[C@H](Cn1cncn1)NC(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2C ZINC000520023046 490108217 /nfs/dbraw/zinc/10/82/17/490108217.db2.gz SQYOUTPAUUGYRH-SECBINFHSA-N -1 3 369.385 0.322 10 0 FCAEHM C[C@@H](Cn1cncn1)NC(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2C ZINC000520023047 490108592 /nfs/dbraw/zinc/10/85/92/490108592.db2.gz SQYOUTPAUUGYRH-VIFPVBQESA-N -1 3 369.385 0.322 10 0 FCAEHM COC(=O)[C@H]1CCN(C(=O)c2cc(C3CC3)nc3c2c(=O)[n-]c(=O)n3C)C1 ZINC000520180420 490113171 /nfs/dbraw/zinc/11/31/71/490113171.db2.gz XPXRXCPPXZYZCN-JTQLQIEISA-N -1 3 372.381 0.547 10 0 FCAEHM O=C1[N-]C(=O)N2CCN(S(=O)(=O)N3CCC4(CCCCC4)CC3)C[C@H]12 ZINC000545365636 490122739 /nfs/dbraw/zinc/12/27/39/490122739.db2.gz IOEOGLOVMUKPHW-CYBMUJFWSA-N -1 3 370.475 0.514 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C[C@@H](O)COCC1CC1 ZINC000564345491 491302106 /nfs/dbraw/zinc/30/21/06/491302106.db2.gz COXACSBYEOQETH-GFCCVEGCSA-N -1 3 361.416 0.749 10 0 FCAEHM C[C@@]1(c2ccc(C(=O)N3CCCC[C@@H]3CC(N)=O)cc2)NC(=O)[N-]C1=O ZINC000497298041 490144088 /nfs/dbraw/zinc/14/40/88/490144088.db2.gz VSOZHIVQFXNFLC-ACJLOTCBSA-N -1 3 358.398 0.611 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C[C@H](O)COCC1CC1 ZINC000564345520 491302561 /nfs/dbraw/zinc/30/25/61/491302561.db2.gz COXACSBYEOQETH-LBPRGKRZSA-N -1 3 361.416 0.749 10 0 FCAEHM CCOc1ccc(S(=O)(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1C ZINC000392732276 490155440 /nfs/dbraw/zinc/15/54/40/490155440.db2.gz MBAQXNHXHDPWAL-INIZCTEOSA-N -1 3 367.427 0.756 10 0 FCAEHM C[C@H]1CCCN1S(=O)(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000546024954 490177598 /nfs/dbraw/zinc/17/75/98/490177598.db2.gz SFKLJXCVJJMCHF-JTQLQIEISA-N -1 3 353.491 0.345 10 0 FCAEHM COCC[C@H](COC)[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000564403166 491305504 /nfs/dbraw/zinc/30/55/04/491305504.db2.gz JVUVEZBITBONDV-LLVKDONJSA-N -1 3 351.446 0.420 10 0 FCAEHM COCn1nccc1S(=O)(=O)[N-][C@H](c1cnn(C)c1)C(F)(F)F ZINC000480362251 490183244 /nfs/dbraw/zinc/18/32/44/490183244.db2.gz IOWCGZWZFJEDRU-SNVBAGLBSA-N -1 3 353.326 0.802 10 0 FCAEHM O=C(CCNC(=O)[C@H]1CCCN1)N=c1nc(-c2ccsc2)[n-]s1 ZINC000564448999 491307578 /nfs/dbraw/zinc/30/75/78/491307578.db2.gz VKOINMFFFQFCOO-SNVBAGLBSA-N -1 3 351.457 0.885 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]Cc2ccc(S(=O)(=O)CCO)cc2)c1 ZINC000480640938 490220437 /nfs/dbraw/zinc/22/04/37/490220437.db2.gz WJLPKDCXZFLMBZ-UHFFFAOYSA-N -1 3 373.456 0.148 10 0 FCAEHM CN(C)S(=O)(=O)c1c[nH]c(C(=O)Nc2cc(-c3nccn3C)[n-]n2)c1 ZINC000533403121 490227304 /nfs/dbraw/zinc/22/73/04/490227304.db2.gz HPMCCHQAFZRBKJ-UHFFFAOYSA-N -1 3 363.403 0.641 10 0 FCAEHM CN(C)S(=O)(=O)c1c[nH]c(C(=O)Nc2cc(-c3nccn3C)n[n-]2)c1 ZINC000533403121 490227317 /nfs/dbraw/zinc/22/73/17/490227317.db2.gz HPMCCHQAFZRBKJ-UHFFFAOYSA-N -1 3 363.403 0.641 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCN(C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC000533525942 490247169 /nfs/dbraw/zinc/24/71/69/490247169.db2.gz HTJNXMUBKPWLSF-JKSUJKDBSA-N -1 3 364.442 0.707 10 0 FCAEHM COC(C)(C)c1nc(C)c(C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)s1 ZINC000564498765 491310856 /nfs/dbraw/zinc/31/08/56/491310856.db2.gz OMLSVCDLXWPCQI-SECBINFHSA-N -1 3 352.416 0.709 10 0 FCAEHM O=C(c1cccc([O-])c1)N1CCN(C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC000533531585 490249365 /nfs/dbraw/zinc/24/93/65/490249365.db2.gz SCQXPYWGBOXZSY-ZWKOTPCHSA-N -1 3 364.442 0.707 10 0 FCAEHM CC(C)[C@@H](NC(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1)c1nnc2ccccn21 ZINC000546850912 490250839 /nfs/dbraw/zinc/25/08/39/490250839.db2.gz HAKAITLDXBAXEW-WCQYABFASA-N -1 3 371.401 0.372 10 0 FCAEHM COCCOc1cccc(CC(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000447748283 490264881 /nfs/dbraw/zinc/26/48/81/490264881.db2.gz WTPXBPJBWDCHGG-GOSISDBHSA-N -1 3 361.398 0.455 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)NCC[C@H](C)[S@](C)=O)s1 ZINC000482939726 490264932 /nfs/dbraw/zinc/26/49/32/490264932.db2.gz AWBOJAGECUQNBR-FPVGNUTFSA-N -1 3 367.518 0.613 10 0 FCAEHM CCCCS(=O)(=O)[N-]Cc1nc(-c2ccc(CC(N)=O)cc2)no1 ZINC000547185390 490269522 /nfs/dbraw/zinc/26/95/22/490269522.db2.gz WNQUXYIVYHPIBD-UHFFFAOYSA-N -1 3 352.416 0.984 10 0 FCAEHM C[C@H]1CCN(C(=O)c2cn(C)c(=O)[n-]c2=O)C[C@H]1C(=O)OC(C)(C)C ZINC000571524783 491313301 /nfs/dbraw/zinc/31/33/01/491313301.db2.gz COMLWRCCMPQPIE-WDEREUQCSA-N -1 3 351.403 0.926 10 0 FCAEHM COc1ccc2c(c1)[n-]cc(C(=O)NCCNC(=O)c1ccn[nH]1)c2=O ZINC000507875661 490273909 /nfs/dbraw/zinc/27/39/09/490273909.db2.gz UZBPHXSFZLIIJM-UHFFFAOYSA-N -1 3 355.354 0.420 10 0 FCAEHM COCCN1CCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)OC)cs1 ZINC000521733723 490296166 /nfs/dbraw/zinc/29/61/66/490296166.db2.gz GRBATWRIZQSSEI-LBPRGKRZSA-N -1 3 362.473 0.924 10 0 FCAEHM CC1(C)Cc2ccc(C(=O)N3CC[C@@H](NS(C)(=O)=O)C3)c([O-])c2O1 ZINC000408408386 490328464 /nfs/dbraw/zinc/32/84/64/490328464.db2.gz OQBYBFQXBGLMEX-LLVKDONJSA-N -1 3 354.428 0.869 10 0 FCAEHM CC1(C)Cc2ccc(C(=O)N3CCN(S(C)(=O)=O)CC3)c([O-])c2O1 ZINC000408410660 490329968 /nfs/dbraw/zinc/32/99/68/490329968.db2.gz WJTRCJUYMRNKCX-UHFFFAOYSA-N -1 3 354.428 0.823 10 0 FCAEHM Cn1cc(-c2cc(F)ccc2NC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)cn1 ZINC000522057626 490335166 /nfs/dbraw/zinc/33/51/66/490335166.db2.gz VWGTYMHBMKIIBL-CQSZACIVSA-N -1 3 372.360 0.994 10 0 FCAEHM CN(Cc1cc[nH]n1)C(=O)NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000483672499 490335820 /nfs/dbraw/zinc/33/58/20/490335820.db2.gz PPSNFOGMRMHZRS-KRWDZBQOSA-N -1 3 356.386 0.806 10 0 FCAEHM C[C@@H](CO)[C@@H](C)NC(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000534564172 490382860 /nfs/dbraw/zinc/38/28/60/490382860.db2.gz FRONYQPUBRXEIP-VHSXEESVSA-N -1 3 350.387 0.766 10 0 FCAEHM C[C@](O)(Cn1ccccc1=O)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000468326304 490388280 /nfs/dbraw/zinc/38/82/80/490388280.db2.gz MFZDBGNQKVCAIY-KRWDZBQOSA-N -1 3 354.370 0.342 10 0 FCAEHM C[C@](O)(Cn1ccccc1=O)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000468326304 490388284 /nfs/dbraw/zinc/38/82/84/490388284.db2.gz MFZDBGNQKVCAIY-KRWDZBQOSA-N -1 3 354.370 0.342 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)N[C@H](C)c2cn[nH]c2)ccc1F ZINC000499271334 490406543 /nfs/dbraw/zinc/40/65/43/490406543.db2.gz PSYPFXKWRIATTQ-MRVPVSSYSA-N -1 3 369.378 0.273 10 0 FCAEHM CCN(CCC(=O)OC)C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000499439751 490424808 /nfs/dbraw/zinc/42/48/08/490424808.db2.gz XPLGVYIDWSRERA-NSHDSACASA-N -1 3 360.407 0.904 10 0 FCAEHM COC(=O)c1cncc([N-]C(=O)c2ccc(S(=O)(=O)N(C)C)o2)c1 ZINC000499506134 490431449 /nfs/dbraw/zinc/43/14/49/490431449.db2.gz DIPQKPBYZIMODQ-UHFFFAOYSA-N -1 3 353.356 0.964 10 0 FCAEHM COc1cc(=NC(=O)NCCNc2ccc(-c3ccccc3)nn2)[n-]n1C ZINC000548169521 490431739 /nfs/dbraw/zinc/43/17/39/490431739.db2.gz HAJCTIPQIROXJY-UHFFFAOYSA-N -1 3 367.413 0.963 10 0 FCAEHM Cn1nccc1CNC(=O)NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000523216584 490449230 /nfs/dbraw/zinc/44/92/30/490449230.db2.gz RLSYVQQVOUPNJD-KRWDZBQOSA-N -1 3 356.386 0.474 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C(=O)OC)c2ccn(C)n2)c(C)o1 ZINC000468837741 490453826 /nfs/dbraw/zinc/45/38/26/490453826.db2.gz FWLUSJPXGGOJMR-LBPRGKRZSA-N -1 3 371.371 0.301 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)NCC[C@@H]2CCOC2)ccc1F ZINC000499833472 490462134 /nfs/dbraw/zinc/46/21/34/490462134.db2.gz LXYLSIHCRMQPGE-SNVBAGLBSA-N -1 3 373.406 0.215 10 0 FCAEHM CC(C)(O)CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]CC(F)F)c1 ZINC000571777431 491328342 /nfs/dbraw/zinc/32/83/42/491328342.db2.gz ZFQACGCUGANSEZ-UHFFFAOYSA-N -1 3 372.415 0.279 10 0 FCAEHM C[C@H]1OCC[C@H]1N(CCO)C(=O)C(=O)[N-]c1nccn1-c1ccccc1 ZINC000411497497 490472008 /nfs/dbraw/zinc/47/20/08/490472008.db2.gz OGBAAIOOEVXHEC-UKRRQHHQSA-N -1 3 358.398 0.809 10 0 FCAEHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@H]1CCC[C@@H](C(N)=O)C1 ZINC000535332209 490480948 /nfs/dbraw/zinc/48/09/48/490480948.db2.gz MVDPRJCQKJWNEK-KOLCDFICSA-N -1 3 358.391 0.935 10 0 FCAEHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCN(c2cccnn2)CC1 ZINC000510097939 490491381 /nfs/dbraw/zinc/49/13/81/490491381.db2.gz DPWVTTRGFJMYNW-UHFFFAOYSA-N -1 3 352.354 0.714 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C[C@H](O)COc2ccc3c(c2)OCO3)nc1=N ZINC000450907902 490497384 /nfs/dbraw/zinc/49/73/84/490497384.db2.gz GSHWBSYLFNANAN-WCQYABFASA-N -1 3 361.402 0.533 10 0 FCAEHM COC(=O)c1ncccc1S(=O)(=O)[N-]C[C@@H]1COc2ccccc2O1 ZINC000450970386 490503444 /nfs/dbraw/zinc/50/34/44/490503444.db2.gz NICMSYOCKBDIQX-LLVKDONJSA-N -1 3 364.379 0.987 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)C2(S(C)(=O)=O)CC2)oc1C ZINC000510505834 490522689 /nfs/dbraw/zinc/52/26/89/490522689.db2.gz JTHBKSOOUZZMOV-SECBINFHSA-N -1 3 365.429 0.619 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]Cc1ccc(S(N)(=O)=O)s1)C1CC1 ZINC000564903890 491335002 /nfs/dbraw/zinc/33/50/02/491335002.db2.gz CUMVZGMVUJXTIT-SNVBAGLBSA-N -1 3 354.475 0.240 10 0 FCAEHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]CCCN1CCCC1=O ZINC000485854215 490564327 /nfs/dbraw/zinc/56/43/27/490564327.db2.gz YKLHWYRYHXMIJM-UHFFFAOYSA-N -1 3 358.416 0.919 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)NCc2c(C)cc(C)[nH]c2=O)cn1C ZINC000511152804 490566476 /nfs/dbraw/zinc/56/64/76/490566476.db2.gz BWRLTCRUKZHCGQ-UHFFFAOYSA-N -1 3 367.431 0.041 10 0 FCAEHM CNC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@H]2[C@@H]3COC[C@@H]32)c1OC ZINC000556814792 491338546 /nfs/dbraw/zinc/33/85/46/491338546.db2.gz QPCFGOVRYGNMJD-IAZYJMLFSA-N -1 3 360.819 0.631 10 0 FCAEHM CCOC(=O)C[C@H]1C[C@H](OC)CN1C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000549731149 490598003 /nfs/dbraw/zinc/59/80/03/490598003.db2.gz DHAQBBYVBDZNLJ-MNOVXSKESA-N -1 3 352.391 0.431 10 0 FCAEHM Cc1nc([C@@H](NC(=O)C[C@@H]2NC(=O)[N-]C2=O)c2ccc(Cl)cc2)no1 ZINC000536634270 490600769 /nfs/dbraw/zinc/60/07/69/490600769.db2.gz VKWPTRGUAXNMSR-JQWIXIFHSA-N -1 3 363.761 0.835 10 0 FCAEHM CCOC(=O)[C@H](Cc1ccccn1)[N-]S(=O)(=O)CC[C@H]1CCOC1 ZINC000549815412 490609527 /nfs/dbraw/zinc/60/95/27/490609527.db2.gz UMAXTYBVCSXJAS-HIFRSBDPSA-N -1 3 356.444 0.902 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)nc1=N ZINC000550118951 490627635 /nfs/dbraw/zinc/62/76/35/490627635.db2.gz XRYHLDVZZKWTHW-IUCAKERBSA-N -1 3 360.340 0.302 10 0 FCAEHM COCCOCCNC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000512159344 490663724 /nfs/dbraw/zinc/66/37/24/490663724.db2.gz QUKCKVQNSXCRII-UHFFFAOYSA-N -1 3 360.414 0.852 10 0 FCAEHM CS(=O)(=O)[N-]c1cc(C(=O)N2CCN(C3CC3)C(=O)C2)ccc1F ZINC000502026921 490668823 /nfs/dbraw/zinc/66/88/23/490668823.db2.gz FGAKRBMAOBSWFY-UHFFFAOYSA-N -1 3 355.391 0.644 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)C1CN(CC(F)(F)F)C1 ZINC000502085217 490675551 /nfs/dbraw/zinc/67/55/51/490675551.db2.gz SCYQNNJHASCZFD-UHFFFAOYSA-N -1 3 371.406 0.637 10 0 FCAEHM CS(=O)(=O)c1cccnc1C[N-]S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000486838574 490675680 /nfs/dbraw/zinc/67/56/80/490675680.db2.gz GZVPMCIXEZBILZ-UHFFFAOYSA-N -1 3 369.424 0.063 10 0 FCAEHM CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-]CCC(N)=O)s1 ZINC000537645870 490686693 /nfs/dbraw/zinc/68/66/93/490686693.db2.gz RONUJVDICSEUDV-UHFFFAOYSA-N -1 3 361.489 0.607 10 0 FCAEHM CC[C@@H](C)C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]C)nc1)C(=O)OC ZINC000565020709 491346047 /nfs/dbraw/zinc/34/60/47/491346047.db2.gz PCAQYLKGELRMJN-PWSUYJOCSA-N -1 3 357.432 0.697 10 0 FCAEHM CC[C@H](C)C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]C)nc1)C(=O)OC ZINC000565020706 491346246 /nfs/dbraw/zinc/34/62/46/491346246.db2.gz PCAQYLKGELRMJN-CMPLNLGQSA-N -1 3 357.432 0.697 10 0 FCAEHM COc1nc(NC(=O)c2nccnc2C(=O)NCc2ccc(F)cc2)n[n-]1 ZINC000537733458 490692257 /nfs/dbraw/zinc/69/22/57/490692257.db2.gz KPDDINJTWGZWSO-UHFFFAOYSA-N -1 3 371.332 0.925 10 0 FCAEHM Cc1cc(COCC(=O)NCc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)on1 ZINC000512679768 490692715 /nfs/dbraw/zinc/69/27/15/490692715.db2.gz AHQSHOIPJLUVPM-SFHVURJKSA-N -1 3 372.381 0.871 10 0 FCAEHM CN1CCN(C(=O)CC2CCN(C(=O)c3cccc4[n-]nnc43)CC2)CC1 ZINC000527105969 490698618 /nfs/dbraw/zinc/69/86/18/490698618.db2.gz GJPMSKHYYAQVDB-UHFFFAOYSA-N -1 3 370.457 0.974 10 0 FCAEHM CN1CCN(C(=O)CC2CCN(C(=O)c3cccc4nn[n-]c43)CC2)CC1 ZINC000527105969 490698621 /nfs/dbraw/zinc/69/86/21/490698621.db2.gz GJPMSKHYYAQVDB-UHFFFAOYSA-N -1 3 370.457 0.974 10 0 FCAEHM CN1CCN(C(=O)CC2CCN(C(=O)c3cccc4n[n-]nc43)CC2)CC1 ZINC000527105969 490698623 /nfs/dbraw/zinc/69/86/23/490698623.db2.gz GJPMSKHYYAQVDB-UHFFFAOYSA-N -1 3 370.457 0.974 10 0 FCAEHM O=C(Cc1ccn(-c2ccccc2)n1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000572088432 491347954 /nfs/dbraw/zinc/34/79/54/491347954.db2.gz FLWWOGFQMHXKCX-SFHVURJKSA-N -1 3 353.382 0.615 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1cc(F)ccc1OC[C@H]1CCCO1 ZINC000538018769 490704840 /nfs/dbraw/zinc/70/48/40/490704840.db2.gz XIYCSFQQSYWORB-PWSUYJOCSA-N -1 3 351.334 0.920 10 0 FCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1c(C)cccc1F ZINC000487385658 490710174 /nfs/dbraw/zinc/71/01/74/490710174.db2.gz CUYXVLHNWHCCSQ-WDEREUQCSA-N -1 3 360.407 0.869 10 0 FCAEHM CS(=O)(=O)N1CC[C@@H]([N-]S(=O)(=O)c2cccnc2C(F)(F)F)C1 ZINC000572771310 491392729 /nfs/dbraw/zinc/39/27/29/491392729.db2.gz DEIFFQBVZRZCSU-MRVPVSSYSA-N -1 3 373.378 0.413 10 0 FCAEHM CN(CC1(CO)CC1)C(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2C ZINC000527362600 490719773 /nfs/dbraw/zinc/71/97/73/490719773.db2.gz GVKONZWOUAXBEP-UHFFFAOYSA-N -1 3 358.398 0.756 10 0 FCAEHM COc1cccc(F)c1[C@@H](C)NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000503687689 490771543 /nfs/dbraw/zinc/77/15/43/490771543.db2.gz MOEIELKQWMGFOQ-SNVBAGLBSA-N -1 3 370.406 0.724 10 0 FCAEHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000504413316 490798918 /nfs/dbraw/zinc/79/89/18/490798918.db2.gz JDAZOIMRGGMQEK-UHFFFAOYSA-N -1 3 365.411 0.697 10 0 FCAEHM COc1ccc(CN2CC[C@H]2C[N-]S(=O)(=O)c2cn(C)cn2)cc1 ZINC000528500373 490805237 /nfs/dbraw/zinc/80/52/37/490805237.db2.gz IKPCNTSGQNELPF-AWEZNQCLSA-N -1 3 350.444 0.982 10 0 FCAEHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NS(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000528545817 490808078 /nfs/dbraw/zinc/80/80/78/490808078.db2.gz DSCQIVSEKUJRGD-JXVAYASWSA-N -1 3 368.415 0.124 10 0 FCAEHM CN(OCC(F)(F)F)S(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000528594309 490810262 /nfs/dbraw/zinc/81/02/62/490810262.db2.gz OFPQVBMUAREAAG-UHFFFAOYSA-N -1 3 368.293 0.149 10 0 FCAEHM CS(=O)(=O)N[C@@H]1CCN(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000528592653 490810639 /nfs/dbraw/zinc/81/06/39/490810639.db2.gz KRMLXLTXLGFSKK-SNVBAGLBSA-N -1 3 363.233 0.918 10 0 FCAEHM CCN1CCN(CC[N-]S(=O)(=O)c2cn3c(n2)CCC[C@H]3C)CC1 ZINC000515405728 490825164 /nfs/dbraw/zinc/82/51/64/490825164.db2.gz DQGXNPUFZJMBQC-CQSZACIVSA-N -1 3 355.508 0.696 10 0 FCAEHM O=C([C@@H]1CCCn2cc(C(F)(F)F)nc21)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000528780395 490827776 /nfs/dbraw/zinc/82/77/76/490827776.db2.gz CRNCNGGMNUIJEA-RKDXNWHRSA-N -1 3 371.319 0.542 10 0 FCAEHM Cc1ccnc(Nc2cccc(C(=O)N3CCN4C(=O)[N-]C(=O)[C@H]4C3)c2)n1 ZINC000528782075 490827843 /nfs/dbraw/zinc/82/78/43/490827843.db2.gz IHNDILPRSJUZOV-CQSZACIVSA-N -1 3 366.381 0.905 10 0 FCAEHM CC[C@@H]1[C@H](CO)CCN1C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000515481286 490827968 /nfs/dbraw/zinc/82/79/68/490827968.db2.gz BYZGCKORIOJUIL-NWDGAFQWSA-N -1 3 361.489 0.829 10 0 FCAEHM COC(=O)[C@@](C)([N-]S(=O)(=O)C1CN(C(=O)c2ccccc2)C1)C1CC1 ZINC000540934782 490841206 /nfs/dbraw/zinc/84/12/06/490841206.db2.gz XFKNNYMYOJZSNX-KRWDZBQOSA-N -1 3 366.439 0.772 10 0 FCAEHM C[C@H]1CN(CCNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CCO1 ZINC000540961515 490842225 /nfs/dbraw/zinc/84/22/25/490842225.db2.gz ZSIHEJKTOQIIJA-GOEBONIOSA-N -1 3 361.442 0.834 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CCN2C(=O)CC[C@H]2C1 ZINC000540960106 490842512 /nfs/dbraw/zinc/84/25/12/490842512.db2.gz RKVKKWFVRXIPPW-ZFWWWQNUSA-N -1 3 357.410 0.830 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCc1nc(N(C)C)no1 ZINC000505963721 490845485 /nfs/dbraw/zinc/84/54/85/490845485.db2.gz FCZXRPQKSQCFPA-VIFPVBQESA-N -1 3 371.394 0.258 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000506089341 490850605 /nfs/dbraw/zinc/85/06/05/490850605.db2.gz HVYQMNHYCZEOQT-KBPBESRZSA-N -1 3 354.366 0.304 10 0 FCAEHM CC[C@H]([N-]S(=O)(=O)CCC(C)(C)S(C)(=O)=O)[C@@H](O)C(F)F ZINC000565233960 491362594 /nfs/dbraw/zinc/36/25/94/491362594.db2.gz BCHFTAWJYJGBNN-DTWKUNHWSA-N -1 3 351.437 0.524 10 0 FCAEHM O=C(CNC(=O)c1ccc2c(c1[O-])CCCC2)NCCN1CCOCC1 ZINC000541728485 490870556 /nfs/dbraw/zinc/87/05/56/490870556.db2.gz UOSFRDGBQDGSBW-UHFFFAOYSA-N -1 3 361.442 0.449 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2c(C(=O)NC[C@@H](O)[C@H]3CCCO3)cc(C3CC3)nc21 ZINC000529759630 490875040 /nfs/dbraw/zinc/87/50/40/490875040.db2.gz AFFBDYHMFYORMU-CHWSQXEVSA-N -1 3 374.397 0.181 10 0 FCAEHM COc1ccc(CN2CC[C@H]2CNC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)cc1 ZINC000529835746 490879021 /nfs/dbraw/zinc/87/90/21/490879021.db2.gz KUMZEVZBYAPMPS-LBPRGKRZSA-N -1 3 374.397 0.909 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCCc2ccc(OC)nc2)c(C)o1 ZINC000529885115 490879811 /nfs/dbraw/zinc/87/98/11/490879811.db2.gz CBEANPVORYKNJQ-UHFFFAOYSA-N -1 3 353.400 0.872 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(C(=O)NCCC(N)=O)c1)C1CC1 ZINC000516867127 490881887 /nfs/dbraw/zinc/88/18/87/490881887.db2.gz KGRSMOSQXRQREM-AWEZNQCLSA-N -1 3 369.443 0.459 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CCOCC3(CC3)C2)cn1C ZINC000542094062 490885175 /nfs/dbraw/zinc/88/51/75/490885175.db2.gz JROXYEKATQAPHD-UHFFFAOYSA-N -1 3 356.448 0.036 10 0 FCAEHM NS(=O)(=O)c1ccc([O-])c(C(=O)NC[C@@H]2CCN2C2CCCC2)c1 ZINC000530023936 490886303 /nfs/dbraw/zinc/88/63/03/490886303.db2.gz YPPLODFIWUBUIN-LBPRGKRZSA-N -1 3 353.444 0.786 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000530069486 490887133 /nfs/dbraw/zinc/88/71/33/490887133.db2.gz HKLJVHQVACFFTA-YCDSQXFLSA-N -1 3 374.459 0.616 10 0 FCAEHM Cc1cc(C)cc(CN(C)C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)c1 ZINC000517207669 490899029 /nfs/dbraw/zinc/89/90/29/490899029.db2.gz XDYHJJXBMXKJJQ-UHFFFAOYSA-N -1 3 350.444 0.974 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@]2(CCO)CCOC2)c(F)c1 ZINC000530380137 490902779 /nfs/dbraw/zinc/90/27/79/490902779.db2.gz GLZJGBGKVGSVCI-HNNXBMFYSA-N -1 3 361.391 0.680 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC[C@@H](O)C(F)(F)F)s1 ZINC000542703223 490905073 /nfs/dbraw/zinc/90/50/73/490905073.db2.gz JBUUDLHGMAGZLE-SECBINFHSA-N -1 3 360.379 0.976 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)[C@H](O)C(=O)OC)c(F)c1 ZINC000530531912 490911137 /nfs/dbraw/zinc/91/11/37/490911137.db2.gz GIEBFJOGYHNQMA-LLVKDONJSA-N -1 3 363.363 0.203 10 0 FCAEHM C[C@H](CN1CCOCC1)C(=O)NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000543110072 490922544 /nfs/dbraw/zinc/92/25/44/490922544.db2.gz KAMXWOKGJCCNOK-BFUOFWGJSA-N -1 3 374.441 0.326 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC[C@H]2CCOC2)cc1F ZINC000543178123 490924171 /nfs/dbraw/zinc/92/41/71/490924171.db2.gz MZISDGJQWOILME-JTQLQIEISA-N -1 3 366.436 0.902 10 0 FCAEHM CCc1nnc(C[N-]S(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)s1 ZINC000518013798 490928034 /nfs/dbraw/zinc/92/80/34/490928034.db2.gz GOASFPVSLKBSAH-UHFFFAOYSA-N -1 3 357.461 0.619 10 0 FCAEHM C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000518183834 490932616 /nfs/dbraw/zinc/93/26/16/490932616.db2.gz NDHSVKGOCGIEJE-SVGFKBNWSA-N -1 3 373.453 0.899 10 0 FCAEHM CNC(=O)[C@@H](C)NC(=O)c1c(C)oc2[n-]c(=O)n(-c3ccccc3)c(=O)c21 ZINC000531229924 490947150 /nfs/dbraw/zinc/94/71/50/490947150.db2.gz INHGEODEULVREY-SECBINFHSA-N -1 3 370.365 0.857 10 0 FCAEHM C[C@@H](CN1CCOCC1)C(=O)Nc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000544027464 490955680 /nfs/dbraw/zinc/95/56/80/490955680.db2.gz WYVOWFSIFPYESQ-SGTLLEGYSA-N -1 3 360.414 0.648 10 0 FCAEHM CCOC(=O)CCCS(=O)(=O)[N-][C@H]1CCCN(c2cccnc2)C1=O ZINC000544099781 490956844 /nfs/dbraw/zinc/95/68/44/490956844.db2.gz BQSJNCNMXPIYKF-AWEZNQCLSA-N -1 3 369.443 0.840 10 0 FCAEHM NC(=O)[C@H]1CCC[C@@H](NC(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000531728333 490971602 /nfs/dbraw/zinc/97/16/02/490971602.db2.gz YCUOYFFFIDFPIF-NWDGAFQWSA-N -1 3 370.409 0.418 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N[C@H](c2cnn(C)c2)C(C)(C)C)c1 ZINC000531778026 490973598 /nfs/dbraw/zinc/97/35/98/490973598.db2.gz CBYVBZBGQJHHFM-CQSZACIVSA-N -1 3 368.463 0.336 10 0 FCAEHM O=C(NCc1ccc(Cn2ccnc2)cc1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000544776515 490980522 /nfs/dbraw/zinc/98/05/22/490980522.db2.gz UHOWRVGSMFLKCA-OAHLLOKOSA-N -1 3 368.397 0.377 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H]1CCC[C@H](C(N)=O)C1 ZINC000532196266 490989514 /nfs/dbraw/zinc/98/95/14/490989514.db2.gz CSJLDOCLXYJYSK-QWRGUYRKSA-N -1 3 360.457 0.413 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-][C@@H]2CCN(c3ccc(F)cc3)C2=O)CC1 ZINC000601440587 491919529 /nfs/dbraw/zinc/91/95/29/491919529.db2.gz XZUKVIAZZVGLBR-CYBMUJFWSA-N -1 3 370.402 0.804 10 0 FCAEHM CCCc1ncc(C[N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)o1 ZINC000562551403 491172425 /nfs/dbraw/zinc/17/24/25/491172425.db2.gz FLPZVZIGEHUXOV-UHFFFAOYSA-N -1 3 359.429 0.753 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)N1CC[C@](O)(C(F)F)C1 ZINC000562667063 491179393 /nfs/dbraw/zinc/17/93/93/491179393.db2.gz KTBYKZNDXJNVJX-GFCCVEGCSA-N -1 3 369.415 0.438 10 0 FCAEHM C[C@@H](NC(=O)CNC(=O)c1cccnc1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673507991 493337435 /nfs/dbraw/zinc/33/74/35/493337435.db2.gz FFRZIBDRINGIAD-NWDGAFQWSA-N -1 3 371.397 0.692 10 0 FCAEHM O=C1[N-]C(=O)[C@]2(CCCN(S(=O)(=O)CC3Cc4ccccc4C3)C2)N1 ZINC000572683798 491386915 /nfs/dbraw/zinc/38/69/15/491386915.db2.gz IDBUPVAMUGFGRM-QGZVFWFLSA-N -1 3 363.439 0.405 10 0 FCAEHM Cn1cnc(CC[N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)c1 ZINC000572704517 491387665 /nfs/dbraw/zinc/38/76/65/491387665.db2.gz VGOGNXSGJRUNIX-UHFFFAOYSA-N -1 3 352.391 0.965 10 0 FCAEHM Cc1noc(C)c1CO[C@H]1CCN(C(=O)C(=O)[N-]c2cnns2)C1 ZINC000683239334 493340600 /nfs/dbraw/zinc/34/06/00/493340600.db2.gz AQPSCTQFSRDXJY-JTQLQIEISA-N -1 3 351.388 0.899 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CNCCC2(F)F)c(OC)c1 ZINC000566224615 491427730 /nfs/dbraw/zinc/42/77/30/491427730.db2.gz VGDFNYQNIJRTJH-GFCCVEGCSA-N -1 3 364.370 0.757 10 0 FCAEHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C(C)(C)c1cn(C)nn1 ZINC000573369296 491429369 /nfs/dbraw/zinc/42/93/69/491429369.db2.gz CGVQEXOAVFNYIY-UHFFFAOYSA-N -1 3 356.379 0.954 10 0 FCAEHM CCNC(=O)COc1cccc(CNC(=O)c2cc(=O)[n-]c(N(C)C)n2)c1 ZINC000558977532 491450476 /nfs/dbraw/zinc/45/04/76/491450476.db2.gz FQNNOSYBJHAGKV-UHFFFAOYSA-N -1 3 373.413 0.693 10 0 FCAEHM CN(C)c1nc(C(=O)N(C)CCN2C(=O)c3ccccc3C2=O)cc(=O)[n-]1 ZINC000558987854 491450831 /nfs/dbraw/zinc/45/08/31/491450831.db2.gz ZVRPPGWWYACCGJ-UHFFFAOYSA-N -1 3 369.381 0.616 10 0 FCAEHM CN(C)c1nc(C(=O)NCCCNC(=O)c2cccc(O)c2)cc(=O)[n-]1 ZINC000559012532 491451523 /nfs/dbraw/zinc/45/15/23/491451523.db2.gz GEZOSGWVCVPCCT-UHFFFAOYSA-N -1 3 359.386 0.504 10 0 FCAEHM COC(=O)CCN(Cc1ccncc1)C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000559017409 491452088 /nfs/dbraw/zinc/45/20/88/491452088.db2.gz OVBILHHBKMHSKM-UHFFFAOYSA-N -1 3 359.386 0.849 10 0 FCAEHM O=C(CN1CCC[C@@]2(C1)NC(=O)[N-]C2=O)NCCc1c(F)cccc1F ZINC000573903481 491461559 /nfs/dbraw/zinc/46/15/59/491461559.db2.gz HACBXPXZRABSAK-KRWDZBQOSA-N -1 3 366.368 0.298 10 0 FCAEHM O=C(NCCc1ccc2ccccc2n1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000567035226 491481939 /nfs/dbraw/zinc/48/19/39/491481939.db2.gz UMESPYFITYYTEX-OAHLLOKOSA-N -1 3 353.382 0.723 10 0 FCAEHM CCO[C@@H]1C[C@H](NC(=O)CNC(=O)c2ccc([O-])cc2)[C@@H]1n1cccn1 ZINC000567073660 491484357 /nfs/dbraw/zinc/48/43/57/491484357.db2.gz XAXKJXXQKGQRRD-UXLLHSPISA-N -1 3 358.398 0.853 10 0 FCAEHM O=S(=O)(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1C[C@@H](O)C2(CC2)C1 ZINC000574476129 491499671 /nfs/dbraw/zinc/49/96/71/491499671.db2.gz FLROIOCTXUFTCV-LLVKDONJSA-N -1 3 355.807 0.666 10 0 FCAEHM O=S(=O)(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1C[C@@H](O)C2(CC2)C1 ZINC000574476129 491499672 /nfs/dbraw/zinc/49/96/72/491499672.db2.gz FLROIOCTXUFTCV-LLVKDONJSA-N -1 3 355.807 0.666 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@H]1CCCN(Cc2ccccn2)C1=O)C1CC1 ZINC000567608928 491517906 /nfs/dbraw/zinc/51/79/06/491517906.db2.gz UTSNQXGTRFRUFY-JKSUJKDBSA-N -1 3 367.471 0.917 10 0 FCAEHM COc1ccccc1CCNC(=O)C[N-]S(=O)(=O)Cc1cc(C)on1 ZINC000560058618 491518184 /nfs/dbraw/zinc/51/81/84/491518184.db2.gz PXEVIZGHTCIHAW-UHFFFAOYSA-N -1 3 367.427 0.770 10 0 FCAEHM CC(C)n1ncc2c1C[C@H](NC(=O)N1CCN3C(=O)[N-]C(=O)[C@H]3C1)CC2 ZINC000574951595 491529980 /nfs/dbraw/zinc/52/99/80/491529980.db2.gz KPQQIAGUTPWVOS-TZMCWYRMSA-N -1 3 360.418 0.267 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)NC[C@@H]2CCO[C@@H](C(C)C)C2)cn1C ZINC000575755081 491558756 /nfs/dbraw/zinc/55/87/56/491558756.db2.gz RXKBBOCQVGTYPV-ZIAGYGMSSA-N -1 3 372.491 0.574 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)NC[C@H]2CCO[C@@H](C(C)C)C2)cn1C ZINC000575755080 491558886 /nfs/dbraw/zinc/55/88/86/491558886.db2.gz RXKBBOCQVGTYPV-UONOGXRCSA-N -1 3 372.491 0.574 10 0 FCAEHM CC(C)N(C[C@H]1CCC(=O)N1)C(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000560872924 491560846 /nfs/dbraw/zinc/56/08/46/491560846.db2.gz LVYBGKDHYUPTOE-LLVKDONJSA-N -1 3 359.473 0.542 10 0 FCAEHM CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000560872949 491560909 /nfs/dbraw/zinc/56/09/09/491560909.db2.gz ROZBWFALAKXRHI-RYUDHWBXSA-N -1 3 373.500 0.931 10 0 FCAEHM C[C@H](CCNC(=O)C[N-]S(=O)(=O)c1ccccc1F)[S@@](C)=O ZINC000568337364 491570186 /nfs/dbraw/zinc/57/01/86/491570186.db2.gz GPUCMSNSHSWCPH-LADRHHBVSA-N -1 3 350.437 0.377 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)NC2(CC(=O)OC)CC2)ccc1F ZINC000575926595 491570729 /nfs/dbraw/zinc/57/07/29/491570729.db2.gz CMJSCNYGWNAGMK-UHFFFAOYSA-N -1 3 359.379 0.951 10 0 FCAEHM CNS(=O)(=O)c1ccc(CN2CCC[C@H]2c2nc(=N)n(C)[n-]2)cc1 ZINC000660468583 493353799 /nfs/dbraw/zinc/35/37/99/493353799.db2.gz FZYPIRUWESOJGH-ZDUSSCGKSA-N -1 3 350.448 0.473 10 0 FCAEHM CC[C@@H](C)NC(=O)Cn1cc(I)c(=O)[n-]c1=O ZINC000576292058 491602492 /nfs/dbraw/zinc/60/24/92/491602492.db2.gz AGBJLTYGHBOTDW-ZCFIWIBFSA-N -1 3 351.144 0.468 10 0 FCAEHM Cn1nccc1[C@H](CO)[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000577231979 491605231 /nfs/dbraw/zinc/60/52/31/491605231.db2.gz UPDRIEILEDILDV-QMMMGPOBSA-N -1 3 350.322 0.846 10 0 FCAEHM C[C@H](C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1ccnn1C ZINC000568747052 491606137 /nfs/dbraw/zinc/60/61/37/491606137.db2.gz GHOCMIMCFRHLSH-JTQLQIEISA-N -1 3 372.397 0.897 10 0 FCAEHM CN1CCN(C(=O)CC2CCN(C(=O)Cc3cncc([O-])c3)CC2)CC1 ZINC000577388864 491618251 /nfs/dbraw/zinc/61/82/51/491618251.db2.gz PUAGMLSVZTYXKX-UHFFFAOYSA-N -1 3 360.458 0.732 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)[C@H](O)Cc2cnn(C)c2)ccc1F ZINC000568911673 491619066 /nfs/dbraw/zinc/61/90/66/491619066.db2.gz JRVSPEVHXTZUSG-GFCCVEGCSA-N -1 3 356.379 0.009 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)NC3(C4(C)CC4)CC3)cnc21 ZINC000569071700 491631418 /nfs/dbraw/zinc/63/14/18/491631418.db2.gz KNVCWCDUWAQATR-UHFFFAOYSA-N -1 3 350.400 0.645 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)NC[C@H]2CC3CCC2CC3)cn1C ZINC000569245567 491645493 /nfs/dbraw/zinc/64/54/93/491645493.db2.gz RXJNYWODHFSAJD-JXQTWKCFSA-N -1 3 354.476 0.949 10 0 FCAEHM O=C(Cn1cc(I)c(=O)[n-]c1=O)N1CCCCC1 ZINC000576888019 491654613 /nfs/dbraw/zinc/65/46/13/491654613.db2.gz ZZZBMIDZNCNMAA-UHFFFAOYSA-N -1 3 363.155 0.566 10 0 FCAEHM C[C@H]1CCN(CC(=O)N(CCC(N)=O)Cc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000569361774 491656138 /nfs/dbraw/zinc/65/61/38/491656138.db2.gz RNEWWNJJDYEGNJ-HOCLYGCPSA-N -1 3 361.442 0.933 10 0 FCAEHM COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)C[N-]S(=O)(=O)c1ccccc1F ZINC000578134435 491670531 /nfs/dbraw/zinc/67/05/31/491670531.db2.gz RRFFUUNFBKKMBD-YPMHNXCESA-N -1 3 372.418 0.952 10 0 FCAEHM C[C@H]1CCCc2nc(S(=O)(=O)[N-]CCS(=O)(=O)NC3CC3)cn21 ZINC000578225757 491672520 /nfs/dbraw/zinc/67/25/20/491672520.db2.gz WQVXCRYNDKOPEF-JTQLQIEISA-N -1 3 362.477 0.141 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)NC[C@@H](O)Cc1ccccc1 ZINC000578377862 491675971 /nfs/dbraw/zinc/67/59/71/491675971.db2.gz BNWKFBBWTPUFRK-AWEZNQCLSA-N -1 3 366.414 0.824 10 0 FCAEHM CS(=O)(=O)CCCS(=O)(=O)c1nnc([N-]c2ccccc2)s1 ZINC000578482739 491678115 /nfs/dbraw/zinc/67/81/15/491678115.db2.gz WCDXRHDZHIMHSL-UHFFFAOYSA-N -1 3 361.470 1.490 10 0 FCAEHM Cc1ccc(-n2cnc3c2CCN(C(=O)CN2CC(=O)[N-]C2=O)C3)cc1 ZINC000578825485 491685205 /nfs/dbraw/zinc/68/52/05/491685205.db2.gz WPDHJVHCQLFOHA-UHFFFAOYSA-N -1 3 353.382 0.617 10 0 FCAEHM CO[C@@H](CS(=O)(=O)NCC[N-]S(=O)(=O)c1cccs1)C1CC1 ZINC000579953014 491710655 /nfs/dbraw/zinc/71/06/55/491710655.db2.gz ALMFGJJDJDMUQT-NSHDSACASA-N -1 3 368.502 0.371 10 0 FCAEHM CC[C@H]([N-]S(=O)(=O)Cc1cccc(S(C)(=O)=O)c1)[C@@H](O)C(F)F ZINC000580096809 491717531 /nfs/dbraw/zinc/71/75/31/491717531.db2.gz QDIKIGMFRCYPFV-NWDGAFQWSA-N -1 3 371.427 0.914 10 0 FCAEHM C[C@H](O)[C@@H]([N-]S(=O)(=O)CCCN1CCOCC1)c1ccccc1F ZINC000580199455 491721219 /nfs/dbraw/zinc/72/12/19/491721219.db2.gz LXUOGOBWPFAAII-XJKSGUPXSA-N -1 3 360.451 0.889 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]c1cccc(CN2C(=O)CNC2=O)c1)C1CC1 ZINC000580325269 491726373 /nfs/dbraw/zinc/72/63/73/491726373.db2.gz SAIDEJCXEUEPMR-CQSZACIVSA-N -1 3 367.427 0.905 10 0 FCAEHM CCNS(=O)(=O)c1ccc(C[N-]S(=O)(=O)c2cscn2)cc1 ZINC000580949084 491752727 /nfs/dbraw/zinc/75/27/27/491752727.db2.gz AQCAHTPOZUOROH-UHFFFAOYSA-N -1 3 361.470 0.920 10 0 FCAEHM COCCO[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C ZINC000581061182 491757538 /nfs/dbraw/zinc/75/75/38/491757538.db2.gz SSSJZHSYYMWWKG-MGPQQGTHSA-N -1 3 373.475 0.879 10 0 FCAEHM CCOC(=O)C[C@@H](CO)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000590383689 491774628 /nfs/dbraw/zinc/77/46/28/491774628.db2.gz BXLYHNITBYSFQW-JSGCOSHPSA-N -1 3 364.398 0.427 10 0 FCAEHM Cc1cccc(CNS(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)n1 ZINC000590792988 491786870 /nfs/dbraw/zinc/78/68/70/491786870.db2.gz ZOWBCZRZVKJPAD-UHFFFAOYSA-N -1 3 361.383 0.216 10 0 FCAEHM CC(C)CS(=O)(=O)N1CCC([N-]S(=O)(=O)c2cscn2)CC1 ZINC000582060255 491796008 /nfs/dbraw/zinc/79/60/08/491796008.db2.gz ZJRSUOWYQLLYKD-UHFFFAOYSA-N -1 3 367.518 0.872 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CC[C@@H](C)[S@@](C)=O)coc1C(=O)N(C)C ZINC000592039379 491828720 /nfs/dbraw/zinc/82/87/20/491828720.db2.gz JLBPLVGIWCTHNF-AOUSDQRYSA-N -1 3 350.462 0.725 10 0 FCAEHM Cc1ncc(CNC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)c(N)n1 ZINC000582479190 491814099 /nfs/dbraw/zinc/81/40/99/491814099.db2.gz CZMHQZHIQKUKLN-UHFFFAOYSA-N -1 3 354.370 0.489 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-]CC(C)(C)[C@]2(O)CCOC2)c(C)o1 ZINC000592087080 491831445 /nfs/dbraw/zinc/83/14/45/491831445.db2.gz MFPOYZCZCBIBID-HNNXBMFYSA-N -1 3 361.416 0.831 10 0 FCAEHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C)c(N(C)C)c1)c1ccnn1C ZINC000592091263 491831662 /nfs/dbraw/zinc/83/16/62/491831662.db2.gz HYLMDPYDLWAZGQ-HNNXBMFYSA-N -1 3 366.443 0.987 10 0 FCAEHM C[C@](O)(CO)CNC(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000583131426 491838652 /nfs/dbraw/zinc/83/86/52/491838652.db2.gz ICIGHLYBQHJFLZ-MRXNPFEDSA-N -1 3 365.411 0.503 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)nc1=N ZINC000583132141 491838689 /nfs/dbraw/zinc/83/86/89/491838689.db2.gz NEKMBAUIEXZWHA-LSDHHAIUSA-N -1 3 368.441 0.940 10 0 FCAEHM CC(C)(C)OC(=O)[C@@]1([N-]S(=O)(=O)c2cnn3c2OCCC3)CCOC1 ZINC000594845574 491865671 /nfs/dbraw/zinc/86/56/71/491865671.db2.gz BZYWJXLYHUOVOQ-OAHLLOKOSA-N -1 3 373.431 0.445 10 0 FCAEHM CN(C(=O)CNC(=O)c1c[n-]c2ccccc2c1=O)[C@H]1CN2CCC1CC2 ZINC000600514939 491866831 /nfs/dbraw/zinc/86/68/31/491866831.db2.gz YDRGINSBHOYKLM-KRWDZBQOSA-N -1 3 368.437 0.811 10 0 FCAEHM COC(=O)c1occc1C[N-]S(=O)(=O)C[C@@H](OC)C1CCOCC1 ZINC000594860913 491867539 /nfs/dbraw/zinc/86/75/39/491867539.db2.gz UKTPOKFHWQODCB-CYBMUJFWSA-N -1 3 361.416 0.927 10 0 FCAEHM COC(=O)c1occc1C[N-]S(=O)(=O)C[C@H](OC)C1CCOCC1 ZINC000594860914 491867658 /nfs/dbraw/zinc/86/76/58/491867658.db2.gz UKTPOKFHWQODCB-ZDUSSCGKSA-N -1 3 361.416 0.927 10 0 FCAEHM COC(=O)C[C@H](C[N-]S(=O)(=O)c1csnc1C(=O)OC)C1CC1 ZINC000594861488 491867733 /nfs/dbraw/zinc/86/77/33/491867733.db2.gz PCDFUOJAHZMGLK-SECBINFHSA-N -1 3 362.429 0.797 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@@](C)(CCF)C(=O)OC)c(C)o1 ZINC000594864647 491867974 /nfs/dbraw/zinc/86/79/74/491867974.db2.gz HOCDHEDPQZRJNJ-ZDUSSCGKSA-N -1 3 351.352 0.944 10 0 FCAEHM COC(=O)[C@](C)(CCF)[N-]S(=O)(=O)c1cnn(C2CCOCC2)c1 ZINC000594865033 491868296 /nfs/dbraw/zinc/86/82/96/491868296.db2.gz JEMRPRYPOIPIBT-AWEZNQCLSA-N -1 3 363.411 0.804 10 0 FCAEHM COCCCn1c(=O)[n-]nc1S[C@@H]1CCCN(CCC(=O)OC)C1=O ZINC000594881238 491870811 /nfs/dbraw/zinc/87/08/11/491870811.db2.gz VDVAYZINDJLFKB-LLVKDONJSA-N -1 3 372.447 0.666 10 0 FCAEHM CC(C)n1nnnc1Cn1cc(I)c(=O)[n-]c1=O ZINC000594900848 491871742 /nfs/dbraw/zinc/87/17/42/491871742.db2.gz HOLNGPWTGRYTSZ-UHFFFAOYSA-N -1 3 362.131 0.169 10 0 FCAEHM CO[C@@H](Cn1cc(I)c(=O)[n-]c1=O)[C@H]1CCOC1 ZINC000594900900 491871753 /nfs/dbraw/zinc/87/17/53/491871753.db2.gz RTAROXRFPITOIH-CBAPKCEASA-N -1 3 366.155 0.605 10 0 FCAEHM COC(=O)CCNC(=O)CCNC(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000600839143 491886109 /nfs/dbraw/zinc/88/61/09/491886109.db2.gz IIYQTOAZDJVGJO-UHFFFAOYSA-N -1 3 359.382 0.636 10 0 FCAEHM O=c1[n-]c(=O)n(Cc2nc(CC3CC3)no2)cc1I ZINC000601084199 491896235 /nfs/dbraw/zinc/89/62/35/491896235.db2.gz XILUIZNBBXIKOY-UHFFFAOYSA-N -1 3 374.138 0.937 10 0 FCAEHM COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(C(=O)C(=O)[N-]c2cnns2)C1 ZINC000595096509 491883879 /nfs/dbraw/zinc/88/38/79/491883879.db2.gz ZZBAGFIJEXUWIP-RQJHMYQMSA-N -1 3 366.321 0.677 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(C)Cc1cn(C)nn1 ZINC000595172246 491894981 /nfs/dbraw/zinc/89/49/81/491894981.db2.gz AGEVOFIQNWLTIQ-UHFFFAOYSA-N -1 3 365.415 0.959 10 0 FCAEHM CCOC(=O)CCC1CCN(C(=O)NCc2nc(CN)cc(=O)[n-]2)CC1 ZINC000595276311 491911171 /nfs/dbraw/zinc/91/11/71/491911171.db2.gz YAQHNLXGDSXCDK-UHFFFAOYSA-N -1 3 365.434 0.906 10 0 FCAEHM CN(C)CCCS(=O)(=O)[N-][C@@H](C(=O)OC(C)(C)C)c1ccnn1C ZINC000601452178 491921091 /nfs/dbraw/zinc/92/10/91/491921091.db2.gz GBUFMYYFGIYMIQ-CYBMUJFWSA-N -1 3 360.480 0.674 10 0 FCAEHM COC(=O)CC[C@@H](C(=O)OC)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000595355137 491923258 /nfs/dbraw/zinc/92/32/58/491923258.db2.gz SMXBUICVJWIZPO-HNNXBMFYSA-N -1 3 364.398 0.645 10 0 FCAEHM CCS(=O)(=O)C1(C[N-]S(=O)(=O)c2cccnc2C(=O)OC)CC1 ZINC000595363364 491924100 /nfs/dbraw/zinc/92/41/00/491924100.db2.gz CAUGYQVZEPXSOO-UHFFFAOYSA-N -1 3 362.429 0.114 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-]C[C@@H](n2cccn2)C(F)(F)F)CC1 ZINC000601472272 491925353 /nfs/dbraw/zinc/92/53/53/491925353.db2.gz RBFXTPLAQIOCNW-SECBINFHSA-N -1 3 355.338 0.859 10 0 FCAEHM O=C(CN1CCN(C2CC2)C1=O)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000613195143 491972077 /nfs/dbraw/zinc/97/20/77/491972077.db2.gz CGQAPONDDJDGJB-AWEZNQCLSA-N -1 3 371.397 0.276 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](N3CCC3)[C@H](F)C2)cn1 ZINC000614091885 492014508 /nfs/dbraw/zinc/01/45/08/492014508.db2.gz HGCREXYSQQRWFJ-CHWSQXEVSA-N -1 3 356.423 0.248 10 0 FCAEHM C[C@H](CCNC(=O)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1)[S@@](C)=O ZINC000614196545 492018918 /nfs/dbraw/zinc/01/89/18/492018918.db2.gz IVFWSYFSEHRSRY-JKMVHECKSA-N -1 3 366.443 0.716 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)C(=O)Nc2c(F)cccc2F)nc1=N ZINC000614428411 492029397 /nfs/dbraw/zinc/02/93/97/492029397.db2.gz XOEBLFBQYFVLSM-SNVBAGLBSA-N -1 3 350.329 0.808 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NC[C@@H]1CN2CCN1CCC2 ZINC000614510615 492035728 /nfs/dbraw/zinc/03/57/28/492035728.db2.gz BNJQBBLICYJVIM-CYBMUJFWSA-N -1 3 370.457 0.671 10 0 FCAEHM COc1cccc(S([O-])=CC(=O)N2CCC[C@@](O)(CN(C)C)C2)c1 ZINC000597586738 492049750 /nfs/dbraw/zinc/04/97/50/492049750.db2.gz PHMFIPKSUDZJMR-MZNJEOGPSA-N -1 3 354.472 0.718 10 0 FCAEHM CO[C@H](C(=O)N[C@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-])[C@@H]1CCOC1 ZINC000614821077 492057867 /nfs/dbraw/zinc/05/78/67/492057867.db2.gz FDXAMZITMKMENM-BYNQJWBRSA-N -1 3 351.403 0.918 10 0 FCAEHM COC(=O)C12CC(C1)CN2C(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000598061452 492082555 /nfs/dbraw/zinc/08/25/55/492082555.db2.gz ZRNJIJUDCUQVQA-ASAFDHIFSA-N -1 3 357.366 0.519 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N(C)Cc1cnccn1 ZINC000605143319 492084003 /nfs/dbraw/zinc/08/40/03/492084003.db2.gz ZHGBBUOADTVOQA-JTQLQIEISA-N -1 3 353.404 0.407 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1cccc(C(=O)Nc2ccccn2)c1 ZINC000605509484 492096630 /nfs/dbraw/zinc/09/66/30/492096630.db2.gz QICXKUJWCIIXOX-UHFFFAOYSA-N -1 3 353.338 0.824 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1cc(F)ccc1OC[C@H]1CCCO1 ZINC000605512372 492096669 /nfs/dbraw/zinc/09/66/69/492096669.db2.gz LNOQULSOBQTVIN-LLVKDONJSA-N -1 3 351.334 0.874 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCN(c3ncns3)CC2)cc1 ZINC000615809277 492104077 /nfs/dbraw/zinc/10/40/77/492104077.db2.gz BSEQCHQLDFNFLV-UHFFFAOYSA-N -1 3 367.456 0.872 10 0 FCAEHM COC(=O)[C@H]1CCN(Cc2cc(=O)n3nc(N)[n-]c3n2)c2ccccc21 ZINC000598598992 492107292 /nfs/dbraw/zinc/10/72/92/492107292.db2.gz LNZPFCNHEFYUEI-LBPRGKRZSA-N -1 3 354.370 0.497 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)[C@H](C)NC(=O)c2cccs2)[n-]1 ZINC000615918945 492107296 /nfs/dbraw/zinc/10/72/96/492107296.db2.gz LJEACWXAXWCUSM-QMMMGPOBSA-N -1 3 351.388 0.478 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)c2cn(Cc3ccccc3)nn2)[n-]1 ZINC000615919430 492108048 /nfs/dbraw/zinc/10/80/48/492108048.db2.gz IASAELUCWJWWDF-UHFFFAOYSA-N -1 3 355.358 0.551 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)[n-]1 ZINC000615920046 492108070 /nfs/dbraw/zinc/10/80/70/492108070.db2.gz MQTHNGXSHNEERF-JTQLQIEISA-N -1 3 361.358 0.239 10 0 FCAEHM CC(C)(C)OC(=O)C1(C)CCN(Cc2cc(=O)n3nc(N)[n-]c3n2)CC1 ZINC000598625810 492109861 /nfs/dbraw/zinc/10/98/61/492109861.db2.gz RFPHMDWDBORKPY-UHFFFAOYSA-N -1 3 362.434 0.774 10 0 FCAEHM CCOC(=O)CCS(=O)(=O)[N-][C@H]1CS(=O)(=O)Cc2ccccc21 ZINC000598625922 492110117 /nfs/dbraw/zinc/11/01/17/492110117.db2.gz UNTUNDROEPWTRA-ZDUSSCGKSA-N -1 3 361.441 0.529 10 0 FCAEHM C[C@@](CO)(NC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1cc(Cl)cc(Cl)c1 ZINC000616080915 492116350 /nfs/dbraw/zinc/11/63/50/492116350.db2.gz PAYOMADHLGOHRW-HZMBPMFUSA-N -1 3 360.197 0.915 10 0 FCAEHM COC(=O)[C@@H](c1cccc(OC)c1)N(C)C(=O)c1cn(C)c(=O)[n-]c1=O ZINC000598870070 492120053 /nfs/dbraw/zinc/12/00/53/492120053.db2.gz JNUUJAOFGPQTJT-CYBMUJFWSA-N -1 3 361.354 0.481 10 0 FCAEHM COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000598894693 492120850 /nfs/dbraw/zinc/12/08/50/492120850.db2.gz QTWHEQVGNLCCDB-NSHDSACASA-N -1 3 360.288 0.915 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H]1CCNC(=O)CC1 ZINC000616357604 492127005 /nfs/dbraw/zinc/12/70/05/492127005.db2.gz AYDJWQGYRCJQJS-QWRGUYRKSA-N -1 3 357.407 0.277 10 0 FCAEHM C[C@@]1(c2cccc(NC(=O)C3C[C@@H]4COC[C@H](C3)C4=O)c2)NC(=O)[N-]C1=O ZINC000606770074 492129323 /nfs/dbraw/zinc/12/93/23/492129323.db2.gz MVBRZAWSUYAYEY-SDAJVRHXSA-N -1 3 371.393 0.921 10 0 FCAEHM CCc1cc(NC(=O)C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)no1 ZINC000606991592 492134713 /nfs/dbraw/zinc/13/47/13/492134713.db2.gz OKXTYIBAAOEKIJ-UHFFFAOYSA-N -1 3 372.381 0.866 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]CCOC[C@@H]2CCCO2)on1 ZINC000599235869 492146862 /nfs/dbraw/zinc/14/68/62/492146862.db2.gz AZJWUSQPUCCHKJ-NSHDSACASA-N -1 3 362.404 0.466 10 0 FCAEHM COC(=O)[C@]1([N-]S(=O)(=O)c2cnnn2-c2ccccc2)CCSC1 ZINC000599265894 492151492 /nfs/dbraw/zinc/15/14/92/492151492.db2.gz LLBGODVEZBCVCU-AWEZNQCLSA-N -1 3 368.440 0.594 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NC[C@H]1CCN(c2ccccc2Cl)C1 ZINC000617120304 492155469 /nfs/dbraw/zinc/15/54/69/492155469.db2.gz VKHOBHKUWVADSP-PWSUYJOCSA-N -1 3 350.806 0.881 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]CC2([S@](C)=O)CCC2)on1 ZINC000599295937 492156257 /nfs/dbraw/zinc/15/62/57/492156257.db2.gz GVVXRUNESKMSTD-QFIPXVFZSA-N -1 3 364.445 0.572 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]CC[C@@](C)(O)COC)on1 ZINC000599315738 492159089 /nfs/dbraw/zinc/15/90/89/492159089.db2.gz RUWLPDBVMIGSNS-CYBMUJFWSA-N -1 3 350.393 0.058 10 0 FCAEHM C[C@]1(c2cccc(C(=O)N3CC[C@H](Cn4ccnn4)C3)c2)NC(=O)[N-]C1=O ZINC000617259589 492161706 /nfs/dbraw/zinc/16/17/06/492161706.db2.gz CLIHBFXIIZLLAL-KPZWWZAWSA-N -1 3 368.397 0.495 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC[C@@H](Cn2ccnn2)C1 ZINC000617265004 492162088 /nfs/dbraw/zinc/16/20/88/492162088.db2.gz UKXMYYCVLIATHR-NWDGAFQWSA-N -1 3 369.472 0.555 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC(c3ccco3)CC2)c1 ZINC000617382784 492166363 /nfs/dbraw/zinc/16/63/63/492166363.db2.gz OAOMHFBFABLUIB-UHFFFAOYSA-N -1 3 352.416 0.698 10 0 FCAEHM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@@H]1CCCN(C)C1 ZINC000617413351 492166775 /nfs/dbraw/zinc/16/67/75/492166775.db2.gz JIBPSXKNHHRJGX-CQSZACIVSA-N -1 3 363.462 0.470 10 0 FCAEHM C[C@H]1C[C@@H](NC(=O)CC[N-]S(=O)(=O)c2ccccc2F)c2ncnn21 ZINC000617427937 492168049 /nfs/dbraw/zinc/16/80/49/492168049.db2.gz NKNQBJXIVKVKRA-CMPLNLGQSA-N -1 3 367.406 0.908 10 0 FCAEHM NC(=O)c1coc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])n1 ZINC000617488344 492171184 /nfs/dbraw/zinc/17/11/84/492171184.db2.gz WUHCREINLNQXEU-LBPRGKRZSA-N -1 3 358.354 0.400 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)NC[C@@]2(OCCO)CCOC2)c([O-])c1 ZINC000617709165 492181671 /nfs/dbraw/zinc/18/16/71/492181671.db2.gz RFGYJYIDDBNWFS-SFHVURJKSA-N -1 3 366.414 0.105 10 0 FCAEHM COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)[N-][C@@H]1CCO[C@@H]1c1nc(C)no1 ZINC000599515913 492182620 /nfs/dbraw/zinc/18/26/20/492182620.db2.gz YKZXPSLYYQRSNJ-NDBYEHHHSA-N -1 3 373.431 0.859 10 0 FCAEHM COC(=O)Cc1nnc(NC(=O)c2cc(C)n(-c3cnccn3)c2C)[n-]1 ZINC000599525537 492183863 /nfs/dbraw/zinc/18/38/63/492183863.db2.gz OYRADCGOKPMSNX-UHFFFAOYSA-N -1 3 355.358 0.970 10 0 FCAEHM COC(=O)Cc1n[n-]c(NC(=O)c2cc(C)n(-c3cnccn3)c2C)n1 ZINC000599525537 492183865 /nfs/dbraw/zinc/18/38/65/492183865.db2.gz OYRADCGOKPMSNX-UHFFFAOYSA-N -1 3 355.358 0.970 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)c2cc(C)n(-c3cnccn3)c2C)n[n-]1 ZINC000599525537 492183869 /nfs/dbraw/zinc/18/38/69/492183869.db2.gz OYRADCGOKPMSNX-UHFFFAOYSA-N -1 3 355.358 0.970 10 0 FCAEHM CO[C@@]1(CO)CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000617801815 492192546 /nfs/dbraw/zinc/19/25/46/492192546.db2.gz WYLOGYYACALKMQ-KXBFYZLASA-N -1 3 362.426 0.997 10 0 FCAEHM CO[C@@]1(CO)CCCN(C(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)C1 ZINC000617800740 492192603 /nfs/dbraw/zinc/19/26/03/492192603.db2.gz ZBFNHHDOSOVSFU-ROUUACIJSA-N -1 3 361.398 0.355 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC[C@@H](O)C(F)(F)C1 ZINC000617816162 492193612 /nfs/dbraw/zinc/19/36/12/492193612.db2.gz NWHGYZVWXAPEKZ-DTWKUNHWSA-N -1 3 354.400 0.643 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N1CC[C@@H](O)C(F)(F)C1 ZINC000617817655 492193916 /nfs/dbraw/zinc/19/39/16/492193916.db2.gz SDMMXRQABCQIDS-GFCCVEGCSA-N -1 3 353.325 0.721 10 0 FCAEHM COC(=O)c1oc(C(=O)N2CCC[C@H]2C[C@@]2(C)NC(=O)[N-]C2=O)cc1C ZINC000599933683 492218524 /nfs/dbraw/zinc/21/85/24/492218524.db2.gz IFLDBRWIIINMCO-DYZYQPBXSA-N -1 3 363.370 0.967 10 0 FCAEHM C[C@@H]1CN(C(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)C[C@H](C)[C@H]1O ZINC000618264521 492219471 /nfs/dbraw/zinc/21/94/71/492219471.db2.gz YNFWFHGEGONYMJ-PBKGOJFUSA-N -1 3 357.410 0.733 10 0 FCAEHM COC(=O)Cc1n[n-]c(NC(=O)CN2CCN(Cc3ccccc3)CC2)n1 ZINC000609879593 492225634 /nfs/dbraw/zinc/22/56/34/492225634.db2.gz GKAAHSNWRVVZTN-UHFFFAOYSA-N -1 3 372.429 0.277 10 0 FCAEHM COC(=O)Cc1nnc(NC(=O)CN2CCN(Cc3ccccc3)CC2)[n-]1 ZINC000609879593 492225635 /nfs/dbraw/zinc/22/56/35/492225635.db2.gz GKAAHSNWRVVZTN-UHFFFAOYSA-N -1 3 372.429 0.277 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)CN2CCN(Cc3ccccc3)CC2)n[n-]1 ZINC000609879593 492225637 /nfs/dbraw/zinc/22/56/37/492225637.db2.gz GKAAHSNWRVVZTN-UHFFFAOYSA-N -1 3 372.429 0.277 10 0 FCAEHM COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)CN1CC(=O)[N-]C1=O ZINC000609874915 492225793 /nfs/dbraw/zinc/22/57/93/492225793.db2.gz RXMHKRIEAPJYJL-UHFFFAOYSA-N -1 3 353.762 0.393 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)NC[C@]2(C)CC2(F)F)cn1C ZINC000618604698 492232286 /nfs/dbraw/zinc/23/22/86/492232286.db2.gz GTFAUCPXIHSCLR-LBPRGKRZSA-N -1 3 350.391 0.558 10 0 FCAEHM CCOC(=O)c1[n-]c(C)nc1NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000610108871 492234902 /nfs/dbraw/zinc/23/49/02/492234902.db2.gz LRMARGNRUUSBJW-MRXNPFEDSA-N -1 3 363.374 0.554 10 0 FCAEHM CCOC(=O)c1nc(C)[n-]c1NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000610108871 492234904 /nfs/dbraw/zinc/23/49/04/492234904.db2.gz LRMARGNRUUSBJW-MRXNPFEDSA-N -1 3 363.374 0.554 10 0 FCAEHM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1c[nH]c(C(C)C)n1 ZINC000618703622 492235849 /nfs/dbraw/zinc/23/58/49/492235849.db2.gz MXMMPORCMSSHJA-ZJUUUORDSA-N -1 3 360.436 0.268 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@H](C(F)(F)F)[C@@H]2C)cn1 ZINC000619261143 492256684 /nfs/dbraw/zinc/25/66/84/492256684.db2.gz HESLLFNVPZPKOV-KWQFWETISA-N -1 3 367.349 0.782 10 0 FCAEHM COC(=O)[C@@H](C[C@H]1CCCOC1)NC(=O)CNC(=O)c1cccc([O-])c1 ZINC000600453181 492270651 /nfs/dbraw/zinc/27/06/51/492270651.db2.gz FDMIFIAZFAAKCQ-IUODEOHRSA-N -1 3 364.398 0.597 10 0 FCAEHM CCS(=O)(=O)C1(CNC(=O)c2cc(S(=O)(=O)[N-]C)oc2C)CC1 ZINC000620050537 492287018 /nfs/dbraw/zinc/28/70/18/492287018.db2.gz ISPRUUVHFFAMRG-UHFFFAOYSA-N -1 3 364.445 0.193 10 0 FCAEHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]CCc1nnnn1C ZINC000611314318 492285414 /nfs/dbraw/zinc/28/54/14/492285414.db2.gz OQKRHYRNUCHCJG-UHFFFAOYSA-N -1 3 359.795 0.171 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CC[C@@H]2COC[C@H]2C1 ZINC000620152999 492296285 /nfs/dbraw/zinc/29/62/85/492296285.db2.gz CZALSHXJCJHXAI-RKDXNWHRSA-N -1 3 358.192 0.206 10 0 FCAEHM COCC1(CNC(=O)NCc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)CC1 ZINC000654419947 492300166 /nfs/dbraw/zinc/30/01/66/492300166.db2.gz BQQHVMDXJZZCHR-KRWDZBQOSA-N -1 3 360.414 0.967 10 0 FCAEHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000654425127 492301096 /nfs/dbraw/zinc/30/10/96/492301096.db2.gz PARSNHBBDAEVDA-CYBMUJFWSA-N -1 3 360.414 0.771 10 0 FCAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)Cn3ccc(=O)[nH]c3=O)cc2)n1 ZINC000620261475 492302006 /nfs/dbraw/zinc/30/20/06/492302006.db2.gz FVPJLDUUXXTGMC-UHFFFAOYSA-N -1 3 353.338 0.646 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)N1CCc2nccnc2C1 ZINC000620424927 492308735 /nfs/dbraw/zinc/30/87/35/492308735.db2.gz HGMCAXBXRZDXSB-UHFFFAOYSA-N -1 3 364.402 0.869 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)NCC[C@H](O)C(F)F ZINC000633995061 492312748 /nfs/dbraw/zinc/31/27/48/492312748.db2.gz QSICRMKERYNXGS-JTQLQIEISA-N -1 3 354.350 0.626 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N(C)[C@H]1CCCCN(C)C1=O ZINC000634143015 492321628 /nfs/dbraw/zinc/32/16/28/492321628.db2.gz JVZUEHOVVZLMMQ-RYUDHWBXSA-N -1 3 373.500 0.884 10 0 FCAEHM CN(C(=O)C[N-]S(=O)(=O)c1ccccc1F)[C@@H]1CCCCN(C)C1=O ZINC000634146631 492322441 /nfs/dbraw/zinc/32/24/41/492322441.db2.gz KWTBIZYXKCLFOP-CYBMUJFWSA-N -1 3 371.434 0.573 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@H](C(F)F)CC2)c(C)o1 ZINC000634159340 492323249 /nfs/dbraw/zinc/32/32/49/492323249.db2.gz HSZYBVZBDNSNIY-JTQLQIEISA-N -1 3 352.359 0.992 10 0 FCAEHM C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000647673848 492344079 /nfs/dbraw/zinc/34/40/79/492344079.db2.gz WDEBJYBPVHYGJR-JTQLQIEISA-N -1 3 359.386 0.154 10 0 FCAEHM CSc1nc(C)c(CCC(=O)NC[C@H]2CN3CCN2CCC3)c(=O)[n-]1 ZINC000647679354 492344971 /nfs/dbraw/zinc/34/49/71/492344971.db2.gz ZQLFTQVDSOXBPK-ZDUSSCGKSA-N -1 3 365.503 0.651 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2C[C@]34COC[C@@]3(C2)CCCC4)c1 ZINC000620948875 492346651 /nfs/dbraw/zinc/34/66/51/492346651.db2.gz KVGGGIGJLBHILS-IYBDPMFKSA-N -1 3 368.459 0.118 10 0 FCAEHM CN(Cc1cc(=O)n2nc(N)[n-]c2n1)[C@H]1CCN(c2ccccc2)C1=O ZINC000621266148 492367457 /nfs/dbraw/zinc/36/74/57/492367457.db2.gz AIBJCALEROUOQG-ZDUSSCGKSA-N -1 3 353.386 0.067 10 0 FCAEHM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-][C@H]1CS(=O)(=O)Cc2ccccc21 ZINC000621305598 492372539 /nfs/dbraw/zinc/37/25/39/492372539.db2.gz CBSCOSIQLXTLBN-MFKMUULPSA-N -1 3 360.457 0.052 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCCc1ncnn1C ZINC000627897291 492415753 /nfs/dbraw/zinc/41/57/53/492415753.db2.gz NKPGTXIABZEYQE-NSHDSACASA-N -1 3 369.422 0.370 10 0 FCAEHM CNC(=O)[C@@H](CNC(=O)c1cc(=O)[n-]cn1)Cc1ccc(OC)c(F)c1 ZINC000627904811 492417654 /nfs/dbraw/zinc/41/76/54/492417654.db2.gz NXAZOKFMJNZOFT-LLVKDONJSA-N -1 3 362.361 0.665 10 0 FCAEHM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N1CCN(CCCF)CC1 ZINC000627957517 492426295 /nfs/dbraw/zinc/42/62/95/492426295.db2.gz FGKFEPPYHAUWSD-UHFFFAOYSA-N -1 3 374.420 0.994 10 0 FCAEHM CN1CCN(C(=O)CC2CCN(C(=O)c3cc(F)c[n-]c3=O)CC2)CC1 ZINC000621862783 492427612 /nfs/dbraw/zinc/42/76/12/492427612.db2.gz ZKNLTDRYISHMHX-UHFFFAOYSA-N -1 3 364.421 0.943 10 0 FCAEHM COC[C@H](CC(C)(C)C)NC(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000655304591 492432926 /nfs/dbraw/zinc/43/29/26/492432926.db2.gz ZOGOVYTVNZDCFD-ZDUSSCGKSA-N -1 3 374.507 0.964 10 0 FCAEHM Cn1cnc(CCCNC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)n1 ZINC000648502174 492438007 /nfs/dbraw/zinc/43/80/07/492438007.db2.gz LJDMIPFXJLXFOT-UHFFFAOYSA-N -1 3 356.386 0.370 10 0 FCAEHM COc1ccc(CS(=O)(=O)c2n[n-]c(=O)n2C[C@@H]2CCCO2)cn1 ZINC000621994385 492438593 /nfs/dbraw/zinc/43/85/93/492438593.db2.gz QTXZJNJPORALQJ-NSHDSACASA-N -1 3 354.388 0.540 10 0 FCAEHM C[C@]1(C[C@H]2CCCN2C(=O)c2ccc(N3CCC3)nc2)NC(=O)[N-]C1=O ZINC000622049903 492447708 /nfs/dbraw/zinc/44/77/08/492447708.db2.gz WHQXHDHNUXWJDZ-FZKQIMNGSA-N -1 3 357.414 0.885 10 0 FCAEHM Cn1cnc(CCCNC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)n1 ZINC000648986101 492482047 /nfs/dbraw/zinc/48/20/47/492482047.db2.gz UOECDQDPXAXTSJ-UHFFFAOYSA-N -1 3 355.395 0.688 10 0 FCAEHM CCCC[C@](C)(CO)NC(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000649034775 492484691 /nfs/dbraw/zinc/48/46/91/492484691.db2.gz YYRVEZHPMZNNDL-OAHLLOKOSA-N -1 3 360.480 0.454 10 0 FCAEHM CNC(=O)c1nn[n-]c1NC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000622883333 492492845 /nfs/dbraw/zinc/49/28/45/492492845.db2.gz UGTKKEYLJJEZGE-RXMQYKEDSA-N -1 3 357.296 0.650 10 0 FCAEHM CNC(=O)c1[n-]nnc1NC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000622883333 492492847 /nfs/dbraw/zinc/49/28/47/492492847.db2.gz UGTKKEYLJJEZGE-RXMQYKEDSA-N -1 3 357.296 0.650 10 0 FCAEHM CNC(=O)c1n[n-]nc1NC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000622883333 492492851 /nfs/dbraw/zinc/49/28/51/492492851.db2.gz UGTKKEYLJJEZGE-RXMQYKEDSA-N -1 3 357.296 0.650 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@H]2C[C@@H](OC(C)(C)C)C2)cn1C ZINC000649099181 492499498 /nfs/dbraw/zinc/49/94/98/492499498.db2.gz LMZDKQICRVCYKG-TXEJJXNPSA-N -1 3 358.464 0.469 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(=O)n(CCO)c2)c([O-])c1 ZINC000649114850 492501290 /nfs/dbraw/zinc/50/12/90/492501290.db2.gz KIRJKILWOHFANM-UHFFFAOYSA-N -1 3 359.382 0.613 10 0 FCAEHM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000623054853 492505084 /nfs/dbraw/zinc/50/50/84/492505084.db2.gz AEPSIWWAWNOTCT-CYBMUJFWSA-N -1 3 369.425 0.207 10 0 FCAEHM C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000649234529 492512767 /nfs/dbraw/zinc/51/27/67/492512767.db2.gz FULSGZJFOYWEJP-NSHDSACASA-N -1 3 359.386 0.222 10 0 FCAEHM O=C(CC[C@H]1NC(=O)[N-]C1=O)NCCc1cccc2c1OC(F)(F)O2 ZINC000628583069 492524312 /nfs/dbraw/zinc/52/43/12/492524312.db2.gz CXMYRNIDTZSFER-SECBINFHSA-N -1 3 355.297 0.655 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccc(F)c(F)c1)N[C@H]1Cc2cncn2C1 ZINC000623280324 492538368 /nfs/dbraw/zinc/53/83/68/492538368.db2.gz UCPLDIFRKGDTDE-JTQLQIEISA-N -1 3 370.381 0.571 10 0 FCAEHM COc1ccc(C(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)c([O-])c1 ZINC000628733843 492541300 /nfs/dbraw/zinc/54/13/00/492541300.db2.gz ZMIAIFDTLPKHES-LLVKDONJSA-N -1 3 354.370 0.847 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC[C@@H]1COCCN1C ZINC000628916221 492562646 /nfs/dbraw/zinc/56/26/46/492562646.db2.gz HBJQOJIEYKELLS-OAHLLOKOSA-N -1 3 371.441 0.520 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)NCC2COC2)CCCC1 ZINC000629201866 492590465 /nfs/dbraw/zinc/59/04/65/492590465.db2.gz DNSARIIDELDYSI-UHFFFAOYSA-N -1 3 357.432 0.645 10 0 FCAEHM O=C(NCC[C@@]1(O)CCOC1)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1 ZINC000650109124 492614616 /nfs/dbraw/zinc/61/46/16/492614616.db2.gz LZPKIXCNJXUKJM-CXAGYDPISA-N -1 3 362.386 0.100 10 0 FCAEHM COC1(CS(=O)(=O)[N-]c2cccc(-n3nnnc3C)c2)CCOCC1 ZINC000650162722 492617599 /nfs/dbraw/zinc/61/75/99/492617599.db2.gz GRMVYZQKLUUYBY-UHFFFAOYSA-N -1 3 367.431 0.908 10 0 FCAEHM COC1(CS(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CO3)CCOCC1 ZINC000650157996 492618175 /nfs/dbraw/zinc/61/81/75/492618175.db2.gz NUMHTHUHGPXVPL-UHFFFAOYSA-N -1 3 356.400 0.955 10 0 FCAEHM NC(=O)C[C@@H]1CN(C(=O)Cc2ccc(Br)cc2[O-])CCO1 ZINC000629394346 492620276 /nfs/dbraw/zinc/62/02/76/492620276.db2.gz IPJXWPCROCRCTK-LLVKDONJSA-N -1 3 357.204 0.800 10 0 FCAEHM O=C(NC[C@H]1CN(Cc2ccncc2)CCO1)c1ccc2n[n-]nc2c1 ZINC000629444576 492633060 /nfs/dbraw/zinc/63/30/60/492633060.db2.gz ZZWFEDMUHTUIMV-HNNXBMFYSA-N -1 3 352.398 0.984 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]c1ccc2n[nH]c(C(N)=O)c2c1)[C@H]1CCOC1 ZINC000656627091 492638943 /nfs/dbraw/zinc/63/89/43/492638943.db2.gz SBSXKRRFJHIQKB-ZANVPECISA-N -1 3 368.415 0.455 10 0 FCAEHM COCCOc1ccc([N-]S(=O)(=O)C[C@@H](OC)[C@H]2CCOC2)cn1 ZINC000656727950 492646399 /nfs/dbraw/zinc/64/63/99/492646399.db2.gz RBXVTYOVBYUJSE-GXTWGEPZSA-N -1 3 360.432 0.900 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]c1ccc(N2CCOCC2)cn1)[C@H]1CCOC1 ZINC000656728527 492646486 /nfs/dbraw/zinc/64/64/86/492646486.db2.gz WDUMNQHHFKWVMD-DZGCQCFKSA-N -1 3 371.459 0.711 10 0 FCAEHM CO[C@H](CS(=O)(=O)N=c1nc(-c2cccs2)[n-]n1C)[C@@H]1CCOC1 ZINC000656734935 492648512 /nfs/dbraw/zinc/64/85/12/492648512.db2.gz YMUOQSXLNUMYKA-GHMZBOCLSA-N -1 3 372.472 0.759 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]CC(=O)Nc1cccc(F)c1)[C@H]1CCOC1 ZINC000656890539 492660871 /nfs/dbraw/zinc/66/08/71/492660871.db2.gz WSMGAELLKRYOCP-SMDDNHRTSA-N -1 3 360.407 0.735 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]Cc1nnnn1-c1ccccc1)[C@H]1CCOC1 ZINC000656896111 492662626 /nfs/dbraw/zinc/66/26/26/492662626.db2.gz GELVCBWIRDCLBQ-JSGCOSHPSA-N -1 3 367.431 0.133 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-][C@H](C(=O)N1CCCC1)C(C)C)[C@@H]1CCOC1 ZINC000656903742 492664149 /nfs/dbraw/zinc/66/41/49/492664149.db2.gz NQSRUVQVUFHIKI-ILXRZTDVSA-N -1 3 362.492 0.604 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@@H]1CCN(C2CCCCC2)C1=O)[C@@H]1CCOC1 ZINC000656937048 492673757 /nfs/dbraw/zinc/67/37/57/492673757.db2.gz DXNRDSJVDJSBKD-FVQBIDKESA-N -1 3 374.503 0.891 10 0 FCAEHM Cn1cc(C(=O)NCCc2ccc3c(c2)OC(F)(F)O3)c(=O)[n-]c1=O ZINC000650860882 492676802 /nfs/dbraw/zinc/67/68/02/492676802.db2.gz VIKUAFCAUHHDPL-UHFFFAOYSA-N -1 3 353.281 0.780 10 0 FCAEHM CCc1nn(C)c(OC)c1C[N-]S(=O)(=O)C[C@H](OC)[C@@H]1CCOC1 ZINC000656950150 492677010 /nfs/dbraw/zinc/67/70/10/492677010.db2.gz DBTKIGKSPKEFRW-RISCZKNCSA-N -1 3 361.464 0.462 10 0 FCAEHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)C[C@H](OC)[C@@H]2CCOC2)[C@]12CCCO2 ZINC000656959674 492679482 /nfs/dbraw/zinc/67/94/82/492679482.db2.gz VSOLCUYODDOIHR-LYYZXLFJSA-N -1 3 363.476 0.684 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]CCCN(C)S(C)(=O)=O)c(F)c1F ZINC000624847187 492690326 /nfs/dbraw/zinc/69/03/26/492690326.db2.gz MNFPFFRWQQLRBN-UHFFFAOYSA-N -1 3 356.416 0.833 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@H](C1CC1)[C@@]1(CO)CCCO1)[C@H]1CCOC1 ZINC000656997793 492690583 /nfs/dbraw/zinc/69/05/83/492690583.db2.gz MDNCYNGCTGXTQI-JJXSEGSLSA-N -1 3 363.476 0.277 10 0 FCAEHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)C[C@H](OC)[C@H]2CCOC2)[C@@H]1n1cccn1 ZINC000656998204 492690772 /nfs/dbraw/zinc/69/07/72/492690772.db2.gz PJRLLUYWXNBINW-QMHWVQJVSA-N -1 3 373.475 0.573 10 0 FCAEHM COC[C@]1(C)CN(C(=O)CC[N-]S(=O)(=O)c2cccs2)CCO1 ZINC000629910151 492700183 /nfs/dbraw/zinc/70/01/83/492700183.db2.gz ZSZJLSARHCFGDM-AWEZNQCLSA-N -1 3 362.473 0.680 10 0 FCAEHM COCCN1CCC[C@H]1C[N-]S(=O)(=O)c1cnnn1-c1ccccc1 ZINC000624951770 492701427 /nfs/dbraw/zinc/70/14/27/492701427.db2.gz QAEZKWQEORVIDE-HNNXBMFYSA-N -1 3 365.459 0.656 10 0 FCAEHM C[C@]1(c2cccc(C(=O)N[C@H]3CCN(C4CCC4)C3=O)c2)NC(=O)[N-]C1=O ZINC000629926551 492705365 /nfs/dbraw/zinc/70/53/65/492705365.db2.gz SZRVHADDFDYFCC-IFXJQAMLSA-N -1 3 370.409 0.624 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H]1CCN(C2CCC2)C1=O ZINC000629928459 492706235 /nfs/dbraw/zinc/70/62/35/492706235.db2.gz BPUQSXWBKFFVJK-ZYHUDNBSSA-N -1 3 371.484 0.685 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCO[C@@](C)(C2CC2)C1 ZINC000657063641 492706853 /nfs/dbraw/zinc/70/68/53/492706853.db2.gz LLHGYWZIRYJURQ-OAHLLOKOSA-N -1 3 374.484 0.784 10 0 FCAEHM COC1CCN(S(=O)(=O)[N-][C@H]2Cc3ccccc3N(C)C2=O)CC1 ZINC000657071172 492709000 /nfs/dbraw/zinc/70/90/00/492709000.db2.gz IAVREYGTXCHQSU-AWEZNQCLSA-N -1 3 353.444 0.519 10 0 FCAEHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)c2ncnn21 ZINC000657069418 492709420 /nfs/dbraw/zinc/70/94/20/492709420.db2.gz VRIOSQJKGPWWTK-ZJUUUORDSA-N -1 3 356.429 0.666 10 0 FCAEHM O=S(=O)([N-]CC[C@H](O)C(F)(F)F)c1cnnn1-c1ccccc1 ZINC000625004940 492709597 /nfs/dbraw/zinc/70/95/97/492709597.db2.gz PONIHKFTGNOMAN-JTQLQIEISA-N -1 3 350.322 0.859 10 0 FCAEHM Cc1onc(N)c1S(=O)(=O)[N-]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000657084234 492710763 /nfs/dbraw/zinc/71/07/63/492710763.db2.gz ILLYDWNUIXLALJ-CQSZACIVSA-N -1 3 366.443 0.610 10 0 FCAEHM C[C@@H](C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1cncnc1 ZINC000629989307 492711547 /nfs/dbraw/zinc/71/15/47/492711547.db2.gz RUJWYZVBOMGKSG-SNVBAGLBSA-N -1 3 370.381 0.953 10 0 FCAEHM O=S(=O)(C[C@@H]1CCCCC1(F)F)[N-]C[C@]1(OCCO)CCOC1 ZINC000657086720 492712865 /nfs/dbraw/zinc/71/28/65/492712865.db2.gz MUWFTPAUORLCKI-QWHCGFSZSA-N -1 3 357.419 0.899 10 0 FCAEHM C[C@@H]1C[C@@H]1N1C[C@H]([N-]S(=O)(=O)c2cnnn2-c2ccccc2)CC1=O ZINC000625029207 492713056 /nfs/dbraw/zinc/71/30/56/492713056.db2.gz ZYGBVHIUELUKQF-BZPMIXESSA-N -1 3 361.427 0.555 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@]23NC(=O)NC3=O)c(F)c1F ZINC000625034762 492713968 /nfs/dbraw/zinc/71/39/68/492713968.db2.gz PSXPNCHNXCYYEI-BJOHPYRUSA-N -1 3 373.381 0.930 10 0 FCAEHM CO[C@@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000657102020 492720974 /nfs/dbraw/zinc/72/09/74/492720974.db2.gz WIXIGKXHSDUVSC-GHMZBOCLSA-N -1 3 371.839 0.878 10 0 FCAEHM COCc1ccccc1CS(=O)(=O)[N-][C@@H]1CS(=O)(=O)C[C@H]1OC ZINC000657102283 492721655 /nfs/dbraw/zinc/72/16/55/492721655.db2.gz YWPLCMKZWBJOMB-ZIAGYGMSSA-N -1 3 363.457 0.064 10 0 FCAEHM Cn1ccnc1CN1CCC[C@H]([N-]S(=O)(=O)[C@@H]2COC(C)(C)C2)C1=O ZINC000625120753 492726853 /nfs/dbraw/zinc/72/68/53/492726853.db2.gz HBQMZSYUPWWUQG-STQMWFEESA-N -1 3 370.475 0.398 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-]CC2(S(C)(=O)=O)CC2)CCOCC1 ZINC000625165948 492732680 /nfs/dbraw/zinc/73/26/80/492732680.db2.gz FTIHUAHGDZIYOI-UHFFFAOYSA-N -1 3 355.478 0.069 10 0 FCAEHM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1C[C@H](O)C12CCC2 ZINC000657185072 492739094 /nfs/dbraw/zinc/73/90/94/492739094.db2.gz BTQLMCVAKDITOL-KGLIPLIRSA-N -1 3 374.484 0.519 10 0 FCAEHM CC1(C)C[C@H](S(=O)(=O)N2CCC[C@H]2C[C@@]2(C)NC(=O)[N-]C2=O)CO1 ZINC000625211233 492739846 /nfs/dbraw/zinc/73/98/46/492739846.db2.gz DSUOTVVIHHCGTP-ZIBATOQPSA-N -1 3 359.448 0.336 10 0 FCAEHM NC(=O)COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1C[C@@H](O)C12CCC2 ZINC000657187660 492739991 /nfs/dbraw/zinc/73/99/91/492739991.db2.gz PIHIHNMFTQMSFA-QWHCGFSZSA-N -1 3 374.846 0.786 10 0 FCAEHM O=S(=O)([N-]CC[C@@]1(O)CCOC1)c1cccnc1OCC(F)F ZINC000625271457 492749276 /nfs/dbraw/zinc/74/92/76/492749276.db2.gz VCRTXECIMUEDOH-CYBMUJFWSA-N -1 3 352.359 0.545 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-]C[C@H](OC)[C@@H]2CCOC2)CCOCC1 ZINC000625273068 492749745 /nfs/dbraw/zinc/74/97/45/492749745.db2.gz KMWGUKQPJFRPHW-KGLIPLIRSA-N -1 3 351.465 0.543 10 0 FCAEHM CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-][C@@H]1C(=O)NCC1(C)C ZINC000625286244 492751677 /nfs/dbraw/zinc/75/16/77/492751677.db2.gz STCPHNUYNLPJIX-ZIAGYGMSSA-N -1 3 358.435 0.827 10 0 FCAEHM CN1C2(CCC2)COC[C@]1(CO)C[N-]S(=O)(=O)Cc1ccccc1F ZINC000625376706 492768233 /nfs/dbraw/zinc/76/82/33/492768233.db2.gz NTEZPPXWBPJJGA-QGZVFWFLSA-N -1 3 372.462 0.861 10 0 FCAEHM CN1C2(CCC2)COC[C@]1(CO)C[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1 ZINC000625378150 492769026 /nfs/dbraw/zinc/76/90/26/492769026.db2.gz FZAXJXUHTRACDR-XJKSGUPXSA-N -1 3 362.492 0.089 10 0 FCAEHM COC1(CS(=O)(=O)[N-][C@@H](Cc2ccccc2)C(N)=O)CCOCC1 ZINC000651533507 492776107 /nfs/dbraw/zinc/77/61/07/492776107.db2.gz ALBYUZFNHHYUJM-AWEZNQCLSA-N -1 3 356.444 0.198 10 0 FCAEHM CC(C)n1cnc(=NC(=O)C(=O)N[C@H](C)CN2C[C@H](C)C[C@@H](C)C2)[n-]1 ZINC000651534277 492776212 /nfs/dbraw/zinc/77/62/12/492776212.db2.gz AFDUHHPEPOREOF-MGPQQGTHSA-N -1 3 350.467 0.702 10 0 FCAEHM COC1(CS(=O)(=O)[N-]CC(=O)NCCc2ccccc2)CCOCC1 ZINC000651541699 492777213 /nfs/dbraw/zinc/77/72/13/492777213.db2.gz CSSHCBQEAHOBEP-UHFFFAOYSA-N -1 3 370.471 0.460 10 0 FCAEHM C[C@H](NC(=O)CCc1nnn[n-]1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000630874087 492780868 /nfs/dbraw/zinc/78/08/68/492780868.db2.gz APNRDASTXUZSDB-LBPRGKRZSA-N -1 3 361.425 0.901 10 0 FCAEHM C[C@H](NC(=O)CCc1nn[n-]n1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000630874087 492780873 /nfs/dbraw/zinc/78/08/73/492780873.db2.gz APNRDASTXUZSDB-LBPRGKRZSA-N -1 3 361.425 0.901 10 0 FCAEHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)CC2(OC)CCOCC2)[C@@H]1n1cccn1 ZINC000651720968 492812841 /nfs/dbraw/zinc/81/28/41/492812841.db2.gz PKUMOFXDARAOAQ-KFWWJZLASA-N -1 3 373.475 0.717 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N3CCC34CCCC4)cnc21 ZINC000651775017 492821551 /nfs/dbraw/zinc/82/15/51/492821551.db2.gz AOXIRVNJQHXANK-UHFFFAOYSA-N -1 3 350.400 0.741 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)NC[C@]3(C)C[C@H]4C[C@H]4C3)cnc21 ZINC000625564592 492821853 /nfs/dbraw/zinc/82/18/53/492821853.db2.gz WTTVAUVKOFQLGK-WRBXQSRGSA-N -1 3 364.427 0.749 10 0 FCAEHM O=C1C[C@H](S(=O)(=O)[N-]C[C@@H]2COc3ccccc3O2)CN1C1CC1 ZINC000631653655 492829440 /nfs/dbraw/zinc/82/94/40/492829440.db2.gz YKAFXBPWYOXOSK-OLZOCXBDSA-N -1 3 352.412 0.509 10 0 FCAEHM Cc1nn2cc(S(=O)(=O)[N-]CC[C@@]3(O)CCOC3)cnc2c1Cl ZINC000651839365 492831687 /nfs/dbraw/zinc/83/16/87/492831687.db2.gz CQSGOSDIIMWXAA-CYBMUJFWSA-N -1 3 360.823 0.511 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]CCCN1CCCC1=O ZINC000631695307 492836954 /nfs/dbraw/zinc/83/69/54/492836954.db2.gz JBXJQCLOQJODHL-UHFFFAOYSA-N -1 3 354.354 0.730 10 0 FCAEHM Cc1cc(CS(=O)(=O)[N-]C[C@H]2CN(Cc3ccncc3)CCO2)no1 ZINC000625618525 492840995 /nfs/dbraw/zinc/84/09/95/492840995.db2.gz KBADSCDDFLAQPR-INIZCTEOSA-N -1 3 366.443 0.698 10 0 FCAEHM COC(C)(C)CS(=O)(=O)[N-]CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000625618040 492841017 /nfs/dbraw/zinc/84/10/17/492841017.db2.gz REKWPCLZEWUJIR-UHFFFAOYSA-N -1 3 358.416 0.741 10 0 FCAEHM Cn1c(=O)ccc2c1CCC[C@H]2[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000651940901 492850684 /nfs/dbraw/zinc/85/06/84/492850684.db2.gz FBVHQXMIUZCMSE-GFCCVEGCSA-N -1 3 364.427 0.720 10 0 FCAEHM Cc1cc(C2([N-]S(=O)(=O)c3cc(C(N)=O)n(C)c3)CCOCC2)on1 ZINC000625654674 492853118 /nfs/dbraw/zinc/85/31/18/492853118.db2.gz ZKAYFUXWEWNUCN-UHFFFAOYSA-N -1 3 368.415 0.405 10 0 FCAEHM O=C([N-]c1nccn1-c1ccccc1)C(=O)N1CC[C@@H](Cn2ccnn2)C1 ZINC000658231580 492853645 /nfs/dbraw/zinc/85/36/45/492853645.db2.gz VRAUZESMITVTJZ-CQSZACIVSA-N -1 3 365.397 0.951 10 0 FCAEHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000625657409 492853905 /nfs/dbraw/zinc/85/39/05/492853905.db2.gz AHJWQNZZTBDOEB-YWPYICTPSA-N -1 3 374.484 0.519 10 0 FCAEHM Cc1noc([C@@H]2OCC[C@@H]2[N-]S(=O)(=O)CCOCC(F)(F)F)n1 ZINC000625662808 492854534 /nfs/dbraw/zinc/85/45/34/492854534.db2.gz TWLLANVIZPEMNW-DTWKUNHWSA-N -1 3 359.326 0.706 10 0 FCAEHM O=c1[nH]cc(S(=O)(=O)[N-][C@@H]2CCN(Cc3ccccc3)C2=O)s1 ZINC000631813639 492857607 /nfs/dbraw/zinc/85/76/07/492857607.db2.gz QVVCLKUMXGHHTM-LLVKDONJSA-N -1 3 353.425 0.928 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-][C@H]1CCN(C2CCC2)C1=O)C1CCOCC1 ZINC000625689165 492860545 /nfs/dbraw/zinc/86/05/45/492860545.db2.gz BFWJSMACTADIKN-GJZGRUSLSA-N -1 3 360.476 0.501 10 0 FCAEHM CCN1C[C@@H](S(=O)(=O)[N-]CC(=O)N2CCc3ccccc32)CC1=O ZINC000631880360 492868124 /nfs/dbraw/zinc/86/81/24/492868124.db2.gz SLILBNRCMBJARB-ZDUSSCGKSA-N -1 3 351.428 0.116 10 0 FCAEHM COCCN1CCC[C@H]1C[N-]S(=O)(=O)c1c[nH]nc1C(F)(F)F ZINC000631895389 492871769 /nfs/dbraw/zinc/87/17/69/492871769.db2.gz QVUHXFLHXNCYKN-VIFPVBQESA-N -1 3 356.370 0.818 10 0 FCAEHM O=C(CN1CCCC1)N1CCN(S(=O)(=O)c2cc([O-])cc(F)c2)CC1 ZINC000631898316 492872251 /nfs/dbraw/zinc/87/22/51/492872251.db2.gz HTOXQBGFEKJYBL-UHFFFAOYSA-N -1 3 371.434 0.460 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1)C(=O)Nc1ccccc1 ZINC000631948053 492895691 /nfs/dbraw/zinc/89/56/91/492895691.db2.gz VDJRQNOTLCGVIQ-RISCZKNCSA-N -1 3 351.428 0.696 10 0 FCAEHM CN1CC[C@H]([N-]S(=O)(=O)Cc2ncsc2Br)C1=O ZINC000631997995 492907238 /nfs/dbraw/zinc/90/72/38/492907238.db2.gz OAMPAFODPXLJLZ-LURJTMIESA-N -1 3 354.251 0.556 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@H](C)C(=O)NC(C)(C)C)coc1C(=O)N(C)C ZINC000645489888 492913263 /nfs/dbraw/zinc/91/32/63/492913263.db2.gz OUKYDPXGWVCKTG-SNVBAGLBSA-N -1 3 359.448 0.871 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CCCN2C(=O)CCC2=O)coc1C(=O)N(C)C ZINC000645520949 492919201 /nfs/dbraw/zinc/91/92/01/492919201.db2.gz GWOHCRQOYZUVGF-UHFFFAOYSA-N -1 3 371.415 0.107 10 0 FCAEHM Cn1cc(N2CC[C@@H]([N-]S(=O)(=O)CCOCC3CCC3)C2=O)cn1 ZINC000645548699 492923883 /nfs/dbraw/zinc/92/38/83/492923883.db2.gz QBARYCVRJYKZCI-CQSZACIVSA-N -1 3 356.448 0.262 10 0 FCAEHM Cn1cc(N2CC[C@H]([N-]S(=O)(=O)CCCC3CCOCC3)C2=O)cn1 ZINC000645548811 492924439 /nfs/dbraw/zinc/92/44/39/492924439.db2.gz RMGQLCLMUALEFD-HNNXBMFYSA-N -1 3 370.475 0.652 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(N)=O)C2)coc1C(=O)N(C)C ZINC000645553517 492925240 /nfs/dbraw/zinc/92/52/40/492925240.db2.gz DFZGBDYBWQMSNE-MNOVXSKESA-N -1 3 357.432 0.612 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]C[C@@H](C)CN2CCOCC2)coc1C(=O)N(C)C ZINC000645553217 492925353 /nfs/dbraw/zinc/92/53/53/492925353.db2.gz UYKXUHQNGCYAKU-GFCCVEGCSA-N -1 3 373.475 0.536 10 0 FCAEHM Cc1c(C(=O)N(C)C)occ1S(=O)(=O)[N-]CC[C@@H](O)C(F)(F)F ZINC000645558373 492926462 /nfs/dbraw/zinc/92/64/62/492926462.db2.gz SWRYXBXMTLAVCT-SECBINFHSA-N -1 3 358.338 0.881 10 0 FCAEHM NC(=O)C[C@@H]1CN(Cc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)CCO1 ZINC000626078486 492927121 /nfs/dbraw/zinc/92/71/21/492927121.db2.gz IOGLCDTWQBEQOD-CYBMUJFWSA-N -1 3 368.397 0.597 10 0 FCAEHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)CCC[C@H]2CCOC2)C(=O)N1c1cnn(C)c1 ZINC000645573834 492930164 /nfs/dbraw/zinc/93/01/64/492930164.db2.gz ZDJFOZLTBJCSTR-VNHYZAJKSA-N -1 3 370.475 0.650 10 0 FCAEHM Cn1cnc(CCCNC(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)n1 ZINC000645616349 492941688 /nfs/dbraw/zinc/94/16/88/492941688.db2.gz NOPZAWJQVHJZPJ-UHFFFAOYSA-N -1 3 372.429 0.621 10 0 FCAEHM Cn1nnnc1CC[N-]S(=O)(=O)c1cscc1Br ZINC000632177355 492945099 /nfs/dbraw/zinc/94/50/99/492945099.db2.gz SVZHUEGUZVXBFX-UHFFFAOYSA-N -1 3 352.239 0.555 10 0 FCAEHM CCN1CCN(CC[N-]S(=O)(=O)c2coc(C(=O)N(C)C)c2C)CC1 ZINC000645667149 492957362 /nfs/dbraw/zinc/95/73/62/492957362.db2.gz AMZUEQCCPXPRGX-UHFFFAOYSA-N -1 3 372.491 0.206 10 0 FCAEHM COCC[C@]1([N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)CCOC1 ZINC000632283862 492964199 /nfs/dbraw/zinc/96/41/99/492964199.db2.gz YWLBMSIWCYPEKU-NSHDSACASA-N -1 3 357.354 0.913 10 0 FCAEHM CN1CCO[C@H](CS(=O)(=O)[N-]Cc2c(F)cc(F)c(F)c2F)C1 ZINC000632289678 492967029 /nfs/dbraw/zinc/96/70/29/492967029.db2.gz ZCGGMTBQLRDRCB-QMMMGPOBSA-N -1 3 356.341 0.993 10 0 FCAEHM CC(=O)N1CCC[C@@H](C[N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)C1 ZINC000632294110 492967215 /nfs/dbraw/zinc/96/72/15/492967215.db2.gz ULINUVGYVISLML-JTQLQIEISA-N -1 3 368.381 0.976 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]C[C@@H]2CS(=O)(=O)c3ccccc3O2)cn1C ZINC000645788507 492974879 /nfs/dbraw/zinc/97/48/79/492974879.db2.gz UVTSBNAADDAGOA-LLVKDONJSA-N -1 3 371.440 0.242 10 0 FCAEHM CCN1C[C@H](S(=O)(=O)[N-][C@@H]([C@@H]2CCCO2)C2(CO)CCC2)CC1=O ZINC000632346822 492979019 /nfs/dbraw/zinc/97/90/19/492979019.db2.gz GUSSPWAZVQQUEG-IPYPFGDCSA-N -1 3 360.476 0.237 10 0 FCAEHM O=C1C[C@H](S(=O)(=O)[N-][C@@H]([C@H]2CCCO2)C2(CO)CCC2)CN1C1CC1 ZINC000632347022 492979467 /nfs/dbraw/zinc/97/94/67/492979467.db2.gz JUCPQWFYBYFYKD-LZWOXQAQSA-N -1 3 372.487 0.379 10 0 FCAEHM O=C1C[C@H](S(=O)(=O)[N-][C@H]([C@H]2CCCO2)C2(CO)CCC2)CN1C1CC1 ZINC000632347024 492979685 /nfs/dbraw/zinc/97/96/85/492979685.db2.gz JUCPQWFYBYFYKD-SQWLQELKSA-N -1 3 372.487 0.379 10 0 FCAEHM O=C(CNS(=O)(=O)c1cc([O-])cc(F)c1)NCCN1CCCCCC1 ZINC000632363117 492982976 /nfs/dbraw/zinc/98/29/76/492982976.db2.gz DKPGOFAKKSNVPU-UHFFFAOYSA-N -1 3 373.450 0.802 10 0 FCAEHM CN1CCO[C@@H](CS(=O)(=O)[N-]Cc2nccc(C(F)(F)F)n2)C1 ZINC000632455348 493001385 /nfs/dbraw/zinc/00/13/85/493001385.db2.gz AUJKPEQSIHZXOR-SECBINFHSA-N -1 3 354.354 0.245 10 0 FCAEHM CCN1C[C@@H](S(=O)(=O)[N-][C@H]2CCN(c3ccc(F)cc3)C2=O)CC1=O ZINC000632457927 493001918 /nfs/dbraw/zinc/00/19/18/493001918.db2.gz RMRMWUSIKOJYEF-KBPBESRZSA-N -1 3 369.418 0.471 10 0 FCAEHM O=C(NC[C@@H]1CN2CCN1CCC2)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000646121943 493017308 /nfs/dbraw/zinc/01/73/08/493017308.db2.gz ZVOCLBOFXVDLPB-WBVHZDCISA-N -1 3 372.469 0.503 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000652813567 493023041 /nfs/dbraw/zinc/02/30/41/493023041.db2.gz GUMCPXLERVRWDW-HRCADAONSA-N -1 3 372.425 0.086 10 0 FCAEHM CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CC1 ZINC000646176267 493023428 /nfs/dbraw/zinc/02/34/28/493023428.db2.gz KNZDODDGQURYNK-BFHYXJOUSA-N -1 3 352.435 0.188 10 0 FCAEHM CCN(C(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1)[C@H]1CCCOC1 ZINC000652817237 493024510 /nfs/dbraw/zinc/02/45/10/493024510.db2.gz NZBCNLLETZEGQE-ZDUSSCGKSA-N -1 3 358.464 0.424 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCN1CCCC1=O ZINC000652828303 493026371 /nfs/dbraw/zinc/02/63/71/493026371.db2.gz BFWYCEHFBGREJU-NSHDSACASA-N -1 3 357.407 0.231 10 0 FCAEHM CCN1C[C@@H](S(=O)(=O)[N-]C[C@H](OC)c2cccc(OC)c2)CC1=O ZINC000632589040 493037371 /nfs/dbraw/zinc/03/73/71/493037371.db2.gz CHRCPLXZTOQHAX-GJZGRUSLSA-N -1 3 356.444 0.923 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1nccc2cc(Br)ccc21 ZINC000646308114 493039407 /nfs/dbraw/zinc/03/94/07/493039407.db2.gz QSAPETGHNUFCHP-JTQLQIEISA-N -1 3 363.171 1.534 10 0 FCAEHM O=C(C[N-]S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1cccc(F)c1F ZINC000632604787 493044873 /nfs/dbraw/zinc/04/48/73/493044873.db2.gz XAKAMCOAEVWDEL-SNVBAGLBSA-N -1 3 358.366 0.830 10 0 FCAEHM CO[C@@H](C)CS(=O)(=O)[N-]CC(=O)c1cncc(Br)c1 ZINC000632638064 493054575 /nfs/dbraw/zinc/05/45/75/493054575.db2.gz XMEYORFXKNTTLN-QMMMGPOBSA-N -1 3 351.222 0.981 10 0 FCAEHM COC[C@@H](C)S(=O)(=O)[N-]CC(=O)c1cncc(Br)c1 ZINC000632638163 493055112 /nfs/dbraw/zinc/05/51/12/493055112.db2.gz ZRPSARURSXMAAN-MRVPVSSYSA-N -1 3 351.222 0.981 10 0 FCAEHM O=C1C[C@@H](S(=O)(=O)[N-]C[C@@H](n2cncn2)C(F)(F)F)CN1C1CC1 ZINC000632645467 493057849 /nfs/dbraw/zinc/05/78/49/493057849.db2.gz QOYUFXFBLCXWRN-NXEZZACHSA-N -1 3 367.353 0.064 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[C@]3(CC3(F)F)C2)cn1C ZINC000653002966 493058065 /nfs/dbraw/zinc/05/80/65/493058065.db2.gz NKPVFOHZFCKCQB-ZDUSSCGKSA-N -1 3 362.402 0.655 10 0 FCAEHM CCc1nc(S(=O)(=O)[N-]C2CN(c3ccncn3)C2)cn1CC1CC1 ZINC000632706025 493068359 /nfs/dbraw/zinc/06/83/59/493068359.db2.gz XKUKFEWHYCOXGB-UHFFFAOYSA-N -1 3 362.459 0.813 10 0 FCAEHM Cn1ccnc1COCC(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000646679930 493083146 /nfs/dbraw/zinc/08/31/46/493083146.db2.gz GXYBFSHRRPWBPR-KRWDZBQOSA-N -1 3 357.370 0.630 10 0 FCAEHM CN1C[C@H]2[C@@H](CCN2C(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)C1 ZINC000646925957 493128027 /nfs/dbraw/zinc/12/80/27/493128027.db2.gz XNBFNTKUCKXGMS-GWCFXTLKSA-N -1 3 359.398 0.406 10 0 FCAEHM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)c1 ZINC000646930942 493128837 /nfs/dbraw/zinc/12/88/37/493128837.db2.gz RWASPWSTIGXSII-FZMZJTMJSA-N -1 3 353.444 0.419 10 0 FCAEHM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CC[C@H]3CN(C)C[C@H]32)c1 ZINC000646930944 493129196 /nfs/dbraw/zinc/12/91/96/493129196.db2.gz RWASPWSTIGXSII-SMDDNHRTSA-N -1 3 353.444 0.419 10 0 FCAEHM Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000627312675 493146711 /nfs/dbraw/zinc/14/67/11/493146711.db2.gz FSFLJCJHTYCEBM-UHFFFAOYSA-N -1 3 356.379 0.167 10 0 FCAEHM CN1CCN(CCCOc2ccc(NC(=O)CCc3nnn[n-]3)cc2)CC1 ZINC000633570027 493167015 /nfs/dbraw/zinc/16/70/15/493167015.db2.gz GGHILVGWIFHFJE-UHFFFAOYSA-N -1 3 373.461 0.787 10 0 FCAEHM CN1CCN(CCCOc2ccc(NC(=O)CCc3nn[n-]n3)cc2)CC1 ZINC000633570027 493167018 /nfs/dbraw/zinc/16/70/18/493167018.db2.gz GGHILVGWIFHFJE-UHFFFAOYSA-N -1 3 373.461 0.787 10 0 FCAEHM COc1ncc([N-]S(=O)(=O)C[C@H](OC)C2CCOCC2)cc1C(N)=O ZINC000647128422 493169198 /nfs/dbraw/zinc/16/91/98/493169198.db2.gz BNLVPTPTOIQIPW-ZDUSSCGKSA-N -1 3 373.431 0.372 10 0 FCAEHM NCc1cc(=O)[n-]c(CNC(=O)NCCOc2ccc(F)cc2F)n1 ZINC000659450072 493182061 /nfs/dbraw/zinc/18/20/61/493182061.db2.gz GJOJMSKHJYLLPW-UHFFFAOYSA-N -1 3 353.329 0.797 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(-n2cnnn2)c1)C1CCOCC1 ZINC000647270618 493188080 /nfs/dbraw/zinc/18/80/80/493188080.db2.gz DFFZZMUPCVINTC-HNNXBMFYSA-N -1 3 367.431 0.846 10 0 FCAEHM CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]C(C)(C)c2cn(C)nn2)s1 ZINC000647279824 493189759 /nfs/dbraw/zinc/18/97/59/493189759.db2.gz GVYBVIMOYRFQAM-UHFFFAOYSA-N -1 3 358.449 0.752 10 0 FCAEHM C[C@@H]1CN(C(=O)Nc2ccc(C[C@H]3NC(=O)[N-]C3=O)cc2)C[C@H](C)[C@H]1O ZINC000666513088 493196597 /nfs/dbraw/zinc/19/65/97/493196597.db2.gz MTVFYZNPDYRGDI-BVIHXZOGSA-N -1 3 360.414 0.918 10 0 FCAEHM NCc1cc(=O)[n-]c(CNC(=O)N2CCC3(C2)Oc2ccccc2O3)n1 ZINC000659630575 493224000 /nfs/dbraw/zinc/22/40/00/493224000.db2.gz RCRIQVLDMFIJME-UHFFFAOYSA-N -1 3 357.370 0.724 10 0 FCAEHM NCc1cc(=O)[n-]c(CNC(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)n1 ZINC000659632244 493225167 /nfs/dbraw/zinc/22/51/67/493225167.db2.gz SKGUBCJXIQYOKY-GFCCVEGCSA-N -1 3 362.434 0.185 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Cc2cnnn2C)cc1OC ZINC000666866003 493231987 /nfs/dbraw/zinc/23/19/87/493231987.db2.gz FQYSJLMAEZXFIB-UHFFFAOYSA-N -1 3 353.404 0.767 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)N2C[C@@H](O)CC(F)(F)C2)ccc1F ZINC000672769970 493248567 /nfs/dbraw/zinc/24/85/67/493248567.db2.gz UXMSIGVWGUIGQX-VIFPVBQESA-N -1 3 367.349 0.968 10 0 FCAEHM O=C(NCC(F)(F)c1ccc(F)cc1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000667071953 493256718 /nfs/dbraw/zinc/25/67/18/493256718.db2.gz PLUGYRGYGKZCSZ-NSHDSACASA-N -1 3 356.304 0.863 10 0 FCAEHM CC(C)CCc1nnc(NC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)s1 ZINC000667343386 493276913 /nfs/dbraw/zinc/27/69/13/493276913.db2.gz VPXRGTPLNOKFGC-VIFPVBQESA-N -1 3 352.420 0.895 10 0 FCAEHM Cc1ccc(C[C@@H](C)N(C)C(=O)C(=O)NCc2nc(CN)cc(=O)[n-]2)cc1 ZINC000659747976 493284614 /nfs/dbraw/zinc/28/46/14/493284614.db2.gz BSKAYCHEBZSGGH-CYBMUJFWSA-N -1 3 371.441 0.655 10 0 FCAEHM CN(Cc1ccc(Cl)cc1)C(=O)C(=O)NCc1nc(CN)cc(=O)[n-]1 ZINC000659749625 493285619 /nfs/dbraw/zinc/28/56/19/493285619.db2.gz ZPLUIFGZGOCQCE-UHFFFAOYSA-N -1 3 363.805 0.569 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1C[C@@H](O)CC(F)(F)C1 ZINC000682588400 493310058 /nfs/dbraw/zinc/31/00/58/493310058.db2.gz GADHTKKUFWFHIH-ZETCQYMHSA-N -1 3 374.818 0.908 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1C[C@H](O)CC(F)(F)C1 ZINC000682588399 493309888 /nfs/dbraw/zinc/30/98/88/493309888.db2.gz GADHTKKUFWFHIH-SSDOTTSWSA-N -1 3 374.818 0.908 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)N1C[C@@H](O)CC(F)(F)C1 ZINC000682589991 493310104 /nfs/dbraw/zinc/31/01/04/493310104.db2.gz QXRUCEVAQVMFNE-JTQLQIEISA-N -1 3 366.361 0.723 10 0 FCAEHM COc1cc(C[N-]S(=O)(=O)c2cc(CNC(C)=O)ccc2OC)on1 ZINC000660010591 493314561 /nfs/dbraw/zinc/31/45/61/493314561.db2.gz OGWSQMWXDLGXMA-UHFFFAOYSA-N -1 3 369.399 0.806 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@H]2COC[C@H]2C1 ZINC000660080209 493322589 /nfs/dbraw/zinc/32/25/89/493322589.db2.gz OTUUWPFPPYULSC-VXGBXAGGSA-N -1 3 360.457 0.252 10 0 FCAEHM COc1ccc(COCCC(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000684080240 493392666 /nfs/dbraw/zinc/39/26/66/493392666.db2.gz VPWQGBZEDSRRGR-GOSISDBHSA-N -1 3 361.398 0.803 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCCc1nnc[nH]1 ZINC000684825548 493432646 /nfs/dbraw/zinc/43/26/46/493432646.db2.gz USADGVPTCZUFFM-JTQLQIEISA-N -1 3 355.395 0.360 10 0 FCAEHM C[C@H]1C[C@H](NC(=O)NCC[N-]S(=O)(=O)c2cccs2)c2ncnn21 ZINC000661533984 493445536 /nfs/dbraw/zinc/44/55/36/493445536.db2.gz DGQKDQKXGIJPSR-UWVGGRQHSA-N -1 3 370.460 0.623 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@@H]2C[C@@H](C)n3ncnc32)s1 ZINC000661543911 493446019 /nfs/dbraw/zinc/44/60/19/493446019.db2.gz IVOSQUYJLKFSIP-PSASIEDQSA-N -1 3 370.460 0.753 10 0 FCAEHM CO[C@@H]1CS(=O)(=O)[C@H]2CN(Cc3nc4ccsc4c(=O)[n-]3)C[C@H]21 ZINC000661883324 493471896 /nfs/dbraw/zinc/47/18/96/493471896.db2.gz CGCBCDVRPCTPIB-GDPRMGEGSA-N -1 3 355.441 0.641 10 0 FCAEHM C[C@H]1COCC[C@@H]1S(=O)(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000685298239 493473871 /nfs/dbraw/zinc/47/38/71/493473871.db2.gz SZEUKXBFMWLZKR-BBRMVZONSA-N -1 3 368.455 0.905 10 0 FCAEHM COc1ccc2c(c1)OC[C@@H](C(=O)Nc1[n-]nnc1C(=O)NC1CC1)C2 ZINC000662171970 493494861 /nfs/dbraw/zinc/49/48/61/493494861.db2.gz QVHCVTBEUJAMER-JTQLQIEISA-N -1 3 357.370 0.895 10 0 FCAEHM COc1ccc2c(c1)OC[C@@H](C(=O)Nc1nn[n-]c1C(=O)NC1CC1)C2 ZINC000662171970 493494864 /nfs/dbraw/zinc/49/48/64/493494864.db2.gz QVHCVTBEUJAMER-JTQLQIEISA-N -1 3 357.370 0.895 10 0 FCAEHM COc1ccc2c(c1)OC[C@@H](C(=O)Nc1n[n-]nc1C(=O)NC1CC1)C2 ZINC000662171970 493494865 /nfs/dbraw/zinc/49/48/65/493494865.db2.gz QVHCVTBEUJAMER-JTQLQIEISA-N -1 3 357.370 0.895 10 0 FCAEHM CN1CCC[C@@H](NS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000669624858 493514781 /nfs/dbraw/zinc/51/47/81/493514781.db2.gz UTEXJUCNGXJTHG-SECBINFHSA-N -1 3 356.839 0.893 10 0 FCAEHM CN1CCC[C@@H](NS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000669624858 493514783 /nfs/dbraw/zinc/51/47/83/493514783.db2.gz UTEXJUCNGXJTHG-SECBINFHSA-N -1 3 356.839 0.893 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)N1CCC(OCCCO)CC1 ZINC000685782113 493515088 /nfs/dbraw/zinc/51/50/88/493515088.db2.gz OTUKVOGDSJOPFP-UHFFFAOYSA-N -1 3 374.434 0.494 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCC[C@H](OC(F)F)C1 ZINC000685821632 493517498 /nfs/dbraw/zinc/51/74/98/493517498.db2.gz BNGLFLJBQMEALY-JTQLQIEISA-N -1 3 367.374 0.800 10 0 FCAEHM CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)NCc1nc(CN)cc(=O)[n-]1 ZINC000662751333 493537616 /nfs/dbraw/zinc/53/76/16/493537616.db2.gz AFPJAVLASORYCM-GXSJLCMTSA-N -1 3 353.448 0.205 10 0 FCAEHM CCN1CC[C@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)C1=O ZINC000670170015 493549907 /nfs/dbraw/zinc/54/99/07/493549907.db2.gz FEHZXKBMBALVPS-JQWIXIFHSA-N -1 3 357.407 0.230 10 0 FCAEHM CNC(=O)[C@@H]([N-]S(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1)C(C)C ZINC000676420113 493550790 /nfs/dbraw/zinc/55/07/90/493550790.db2.gz LZYXYTLNTOYPTM-ZANVPECISA-N -1 3 361.489 0.994 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-][C@H](CO)c2nc(-c3ccccc3)no2)c1 ZINC000676853829 493574845 /nfs/dbraw/zinc/57/48/45/493574845.db2.gz LUGMGQYXMJNQLC-GFCCVEGCSA-N -1 3 363.399 0.965 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)N1CCCc2n[nH]cc2C1 ZINC000663196186 493576762 /nfs/dbraw/zinc/57/67/62/493576762.db2.gz NQCBVOZCJCQBPP-UHFFFAOYSA-N -1 3 352.391 0.802 10 0 FCAEHM O=C([O-])c1ccc(CN2C(=O)C[C@H](N3CC[C@H]4COC[C@@H]4C3)C2=O)cc1 ZINC000663221714 493578438 /nfs/dbraw/zinc/57/84/38/493578438.db2.gz QTTXRDNNRASTFQ-JYJNAYRXSA-N -1 3 358.394 0.981 10 0 FCAEHM C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663619155 493605262 /nfs/dbraw/zinc/60/52/62/493605262.db2.gz FPOFRBGSIVWBLE-NFAWXSAZSA-N -1 3 353.463 0.840 10 0 FCAEHM COc1nc(NC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)n[n-]1 ZINC000678351862 493641661 /nfs/dbraw/zinc/64/16/61/493641661.db2.gz VYHGZKBEBXKFRQ-FVMDXXJSSA-N -1 3 364.406 0.889 10 0 FCAEHM COc1nnc(NC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)[n-]1 ZINC000678351862 493641664 /nfs/dbraw/zinc/64/16/64/493641664.db2.gz VYHGZKBEBXKFRQ-FVMDXXJSSA-N -1 3 364.406 0.889 10 0 FCAEHM COc1n[n-]c(NC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)n1 ZINC000678351862 493641666 /nfs/dbraw/zinc/64/16/66/493641666.db2.gz VYHGZKBEBXKFRQ-FVMDXXJSSA-N -1 3 364.406 0.889 10 0 FCAEHM C[C@]12COC[C@H]1CN(C(=O)NCC[N-]S(=O)(=O)c1cccs1)C2 ZINC000664503089 493663667 /nfs/dbraw/zinc/66/36/67/493663667.db2.gz PTUODKIWOQIFAI-RISCZKNCSA-N -1 3 359.473 0.704 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CCC(OCCO)CC1 ZINC000679643729 493690616 /nfs/dbraw/zinc/69/06/16/493690616.db2.gz JSGARSKXBAHCCK-MRXNPFEDSA-N -1 3 362.426 0.997 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N(Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC000679693355 493691492 /nfs/dbraw/zinc/69/14/92/493691492.db2.gz MAXWSVWTBFLXGV-LLVKDONJSA-N -1 3 359.304 0.490 10 0 FCAEHM CN1NN=C2C1=NCC[C@H]2C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000665874771 493742026 /nfs/dbraw/zinc/74/20/26/493742026.db2.gz OWWOENJONGDTOY-SECBINFHSA-N -1 3 368.394 0.360 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCn2ncnc2C1 ZINC000681205227 493750418 /nfs/dbraw/zinc/75/04/18/493750418.db2.gz YRWAYKKVGGPKNY-JTQLQIEISA-N -1 3 353.379 0.126 10 0 FCAEHM CN(CC(=O)[O-])C[C@@H]1CN(C(=O)C[C@@H]2OCCc3ccccc32)CCO1 ZINC000275614445 522526199 /nfs/dbraw/zinc/52/61/99/522526199.db2.gz ITFZAXANZKUEAZ-WBVHZDCISA-N -1 3 362.426 0.934 10 0 FCAEHM CC(C)(C)OC(=O)CC[C@H]1CCCN(C(=O)CN2CC(=O)[N-]C2=O)C1 ZINC000412900137 526364463 /nfs/dbraw/zinc/36/44/63/526364463.db2.gz OWLTYIQABKKJRF-GFCCVEGCSA-N -1 3 353.419 0.899 10 0 FCAEHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)c1 ZINC000409786867 528616505 /nfs/dbraw/zinc/61/65/05/528616505.db2.gz BRJNOPDICHKLMV-VXGBXAGGSA-N -1 3 364.493 0.460 10 0 FCAEHM CCOC1CC(O)(C[N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)C1 ZINC000443972033 535391473 /nfs/dbraw/zinc/39/14/73/535391473.db2.gz VXLZEXGKCOFRJI-UHFFFAOYSA-N -1 3 363.457 0.298 10 0 FCAEHM CNC(=O)[C@@]1(C)CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000437002687 536371597 /nfs/dbraw/zinc/37/15/97/536371597.db2.gz RUYHCOPWRQPUKL-KUHUBIRLSA-N -1 3 359.426 0.981 10 0 FCAEHM COC(=O)CNC(=O)c1ccc([N-]S(=O)(=O)c2c[nH]c(=O)s2)cc1 ZINC000436480105 536475581 /nfs/dbraw/zinc/47/55/81/536475581.db2.gz VERMNGVUZMYJHR-UHFFFAOYSA-N -1 3 371.396 0.552 10 0 FCAEHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]CCc1nnc2n1CCC2 ZINC000443018887 536725267 /nfs/dbraw/zinc/72/52/67/536725267.db2.gz CIDYTUGRMSXWKS-UHFFFAOYSA-N -1 3 368.390 0.671 10 0 FCAEHM Cc1nc(C)c(S(=O)(=O)[N-]Cc2ccc(S(N)(=O)=O)cc2)s1 ZINC000004389348 546508407 /nfs/dbraw/zinc/50/84/07/546508407.db2.gz XGXRNKBKJSUSMI-UHFFFAOYSA-N -1 3 361.470 0.886 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCOCC2(CC2)C1 ZINC000329318235 546551953 /nfs/dbraw/zinc/55/19/53/546551953.db2.gz FNYGTFJBRIYDKS-NSHDSACASA-N -1 3 357.432 0.597 10 0 FCAEHM CC[C@H](C)C[C@@H]([N-]S(=O)(=O)CCCN1CCOCC1)C(=O)OC ZINC000592068302 546606280 /nfs/dbraw/zinc/60/62/80/546606280.db2.gz VGSXHGJNJRNROT-UONOGXRCSA-N -1 3 350.481 0.606 10 0 FCAEHM CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)C1 ZINC000593506179 546710998 /nfs/dbraw/zinc/71/09/98/546710998.db2.gz NNXJYQSQUDCXEU-TUAOUCFPSA-N -1 3 351.403 0.507 10 0 FCAEHM COC(=O)[C@@H](CCF)[N-]S(=O)(=O)C1CN(C(=O)C2CCCC2)C1 ZINC000593633360 546724255 /nfs/dbraw/zinc/72/42/55/546724255.db2.gz NTUFEIXZFMKTRY-GFCCVEGCSA-N -1 3 350.412 0.208 10 0 FCAEHM COC(=O)[C@@H](CCF)[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F ZINC000593634438 546725593 /nfs/dbraw/zinc/72/55/93/546725593.db2.gz MIZMUSYDSWRMSR-SSDOTTSWSA-N -1 3 350.299 0.440 10 0 FCAEHM CCOC(=O)[C@@H](CC1(OC)CCC1)[N-]S(=O)(=O)N1CCCOCC1 ZINC000593649336 546728554 /nfs/dbraw/zinc/72/85/54/546728554.db2.gz IXAVTVTWBWWEEZ-CYBMUJFWSA-N -1 3 364.464 0.434 10 0 FCAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CC[C@]1(O)CCOC1 ZINC000593638179 546733108 /nfs/dbraw/zinc/73/31/08/546733108.db2.gz YZZARSYNGGVTQZ-ONGXEEELSA-N -1 3 363.354 0.331 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1C[C@H](O)C[C@@H]1COC ZINC000593689293 546738215 /nfs/dbraw/zinc/73/82/15/546738215.db2.gz ZBLRPVXSQSISKM-GHMZBOCLSA-N -1 3 370.427 0.780 10 0 FCAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C[C@](C)(CO)OC ZINC000594485023 546797516 /nfs/dbraw/zinc/79/75/16/546797516.db2.gz OVGUNIGGLQGTSK-WCBMZHEXSA-N -1 3 351.343 0.187 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@](C)(CO)OC)c(Cl)c1 ZINC000594485058 546797727 /nfs/dbraw/zinc/79/77/27/546797727.db2.gz PNQXDUOTRXORTK-ZDUSSCGKSA-N -1 3 351.808 0.802 10 0 FCAEHM COC(=O)[C@@H](O)C[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000594766541 546821513 /nfs/dbraw/zinc/82/15/13/546821513.db2.gz MNBSLICQPXKCQF-VIFPVBQESA-N -1 3 372.624 0.915 10 0 FCAEHM CCOC(=O)CCCS(=O)(=O)[N-][C@@H]1Cc2ccccc2N(C)C1=O ZINC000594802816 546827062 /nfs/dbraw/zinc/82/70/62/546827062.db2.gz DFBACYJYZDNONX-CYBMUJFWSA-N -1 3 354.428 0.837 10 0 FCAEHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]C[C@@H](OC)[C@H]1CCOC1 ZINC000594805081 546828285 /nfs/dbraw/zinc/82/82/85/546828285.db2.gz SQYCHXMYWJJJQV-GXFFZTMASA-N -1 3 361.391 0.942 10 0 FCAEHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C[C@H](OC)[C@H]1CCOC1 ZINC000594805568 546828395 /nfs/dbraw/zinc/82/83/95/546828395.db2.gz ZTSTYPKMPQPXSH-GWCFXTLKSA-N -1 3 361.391 0.942 10 0 FCAEHM COC(=O)c1ccccc1CS(=O)(=O)[N-]C[C@]1(OCCO)CCOC1 ZINC000594817970 546831975 /nfs/dbraw/zinc/83/19/75/546831975.db2.gz WTTXPWLTCXVLBK-MRXNPFEDSA-N -1 3 373.427 0.061 10 0 FCAEHM COC(=O)[C@@H](CF)[N-]S(=O)(=O)c1cc2c(cc1OC)CCCNC2=O ZINC000594777801 546832923 /nfs/dbraw/zinc/83/29/23/546832923.db2.gz CNVXXTHFOABEBU-LLVKDONJSA-N -1 3 374.390 0.161 10 0 FCAEHM CCOC(=O)[C@H](Cc1ccccn1)[N-]S(=O)(=O)N1CCC(OC)CC1 ZINC000594777440 546833368 /nfs/dbraw/zinc/83/33/68/546833368.db2.gz ALBZCHJCIAGPJW-HNNXBMFYSA-N -1 3 371.459 0.501 10 0 FCAEHM COC(=O)[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)CCc1ccc2c(c1)CCO2 ZINC000594824078 546837501 /nfs/dbraw/zinc/83/75/01/546837501.db2.gz FKWFUSBFNNLXHD-DZGCQCFKSA-N -1 3 355.412 0.414 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)OC)c(C)o1 ZINC000276467948 546866579 /nfs/dbraw/zinc/86/65/79/546866579.db2.gz WWIAAPZOTSJHJA-MISXGVKJSA-N -1 3 370.427 0.910 10 0 FCAEHM COc1ccc([C@@H](C)NC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)cc1F ZINC000546118963 547037934 /nfs/dbraw/zinc/03/79/34/547037934.db2.gz XUQGMTLJSVPBAI-BXKDBHETSA-N -1 3 350.350 0.841 10 0 FCAEHM CC1=CCN(CCNC(=O)NCC[N-]S(=O)(=O)c2cccs2)CC1 ZINC000547270598 547048328 /nfs/dbraw/zinc/04/83/28/547048328.db2.gz ZUIGWJWJILWUKP-UHFFFAOYSA-N -1 3 372.516 0.978 10 0 FCAEHM Cc1c(S(=O)(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)c2ccccc2n1C ZINC000551215795 547136023 /nfs/dbraw/zinc/13/60/23/547136023.db2.gz XBEMJLLAFLGQDW-ZDUSSCGKSA-N -1 3 362.411 0.411 10 0 FCAEHM Cn1ccnc1CN1CCC[C@@H]([N-]S(=O)(=O)CCC(F)(F)F)C1=O ZINC000551510754 547150911 /nfs/dbraw/zinc/15/09/11/547150911.db2.gz OTMGPTULBSGJBB-SNVBAGLBSA-N -1 3 368.381 0.783 10 0 FCAEHM O=C(Cc1cscc1Br)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000551706332 547160268 /nfs/dbraw/zinc/16/02/68/547160268.db2.gz ZSZQUXFUQNJTMZ-SECBINFHSA-N -1 3 358.217 0.816 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)c2ccnc3n[nH]nc32)ccc1F ZINC000553074860 547250207 /nfs/dbraw/zinc/25/02/07/547250207.db2.gz FKATUPCOIWPISX-UHFFFAOYSA-N -1 3 350.335 0.652 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000553811922 547309445 /nfs/dbraw/zinc/30/94/45/547309445.db2.gz YNNACOVBABBZQN-VHSXEESVSA-N -1 3 374.166 0.336 10 0 FCAEHM CCOCCOC[C@@H](O)C[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000553866261 547312320 /nfs/dbraw/zinc/31/23/20/547312320.db2.gz CEBSPHQLTBDDKQ-JTQLQIEISA-N -1 3 372.365 0.793 10 0 FCAEHM O=C(N[C@H]1CCCNC1=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000729842791 665748607 /nfs/dbraw/zinc/74/86/07/665748607.db2.gz NKNNYQLHXFWWFL-JTQLQIEISA-N -1 3 373.381 0.414 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-][C@@H](CO)C2CC2)c1I ZINC000866850800 663145293 /nfs/dbraw/zinc/14/52/93/663145293.db2.gz WRYOVDSQAXNETL-ZETCQYMHSA-N -1 3 371.200 0.074 10 0 FCAEHM Cc1ccc(N2CC[C@@H]([N-]S(=O)(=O)C[C@H]3CN(C)CCO3)C2=O)cc1 ZINC000866869924 663472278 /nfs/dbraw/zinc/47/22/78/663472278.db2.gz RHROMKQBXHUPEU-HZPDHXFCSA-N -1 3 367.471 0.350 10 0 FCAEHM COC(=O)c1ccoc1S(=O)(=O)[N-]C[C@@H](C(C)C)N1CCN(C)CC1 ZINC000866873638 663508379 /nfs/dbraw/zinc/50/83/79/663508379.db2.gz VFXPIZMSRXEXNS-AWEZNQCLSA-N -1 3 373.475 0.617 10 0 FCAEHM CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436684459 665994076 /nfs/dbraw/zinc/99/40/76/665994076.db2.gz ARXSPHUNEQNUGJ-SNVBAGLBSA-N -1 3 356.400 0.665 10 0 FCAEHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cnn(C)c2I)CO1 ZINC000867452350 664468688 /nfs/dbraw/zinc/46/86/88/664468688.db2.gz CYLIMSPBHWWRFG-BQBZGAKWSA-N -1 3 371.200 0.480 10 0 FCAEHM CNC(=O)C1([N-]C(=O)C(F)(F)Oc2ccc(C=O)cc2)CCOCC1 ZINC000925230550 665198269 /nfs/dbraw/zinc/19/82/69/665198269.db2.gz NPCNSZYGUKQIPW-UHFFFAOYSA-N -1 3 356.325 0.882 10 0 FCAEHM C[C@H](CCCO)[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866946940 665236968 /nfs/dbraw/zinc/23/69/68/665236968.db2.gz IAEGUFOLKYZMRZ-SSDOTTSWSA-N -1 3 373.216 0.464 10 0 FCAEHM CN1CCN(CCNC(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])CC1(C)C ZINC000909027585 666223638 /nfs/dbraw/zinc/22/36/38/666223638.db2.gz QGGYWZWYMBFYAZ-ZNMIVQPWSA-N -1 3 352.479 0.907 10 0 FCAEHM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-][C@]12CCC[C@@]1(OC)OCC2 ZINC000921316157 666431907 /nfs/dbraw/zinc/43/19/07/666431907.db2.gz XQZDQACSQZPUGC-AEGPPILISA-N -1 3 362.448 0.534 10 0 FCAEHM CN1CCOC[C@@]1(CO)C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000921340097 666437349 /nfs/dbraw/zinc/43/73/49/666437349.db2.gz UWKGCUCSOCBPED-LBPRGKRZSA-N -1 3 370.258 0.360 10 0 FCAEHM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N[C@]2(C)CN3CCC2CC3)c1 ZINC000912375022 666437966 /nfs/dbraw/zinc/43/79/66/666437966.db2.gz CVMCZGDDFZLHIY-QGZVFWFLSA-N -1 3 367.471 0.857 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@@H]2CCCN3CCSC[C@@H]23)nc1Cl ZINC000921323515 666438388 /nfs/dbraw/zinc/43/83/88/666438388.db2.gz IWWIMDIEBYALES-ZJUUUORDSA-N -1 3 350.897 0.932 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@H]2CCCN3CCSC[C@@H]23)nc1Cl ZINC000921323513 666438540 /nfs/dbraw/zinc/43/85/40/666438540.db2.gz IWWIMDIEBYALES-UWVGGRQHSA-N -1 3 350.897 0.932 10 0 FCAEHM CO[C@]1(C[N-]S(=O)(=O)c2cc(C)c(F)cc2F)CCS(=O)(=O)C1 ZINC000921465477 666448936 /nfs/dbraw/zinc/44/89/36/666448936.db2.gz HOIKEOMPDKOGDD-ZDUSSCGKSA-N -1 3 369.411 0.755 10 0 FCAEHM CO[C@]1(C[N-]S(=O)(=O)c2ccc(C)c(F)c2F)CCS(=O)(=O)C1 ZINC000921466726 666449745 /nfs/dbraw/zinc/44/97/45/666449745.db2.gz HFUUQSKIIAJUND-ZDUSSCGKSA-N -1 3 369.411 0.755 10 0 FCAEHM CN=[S@@](C)(=O)CCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000912789312 666477258 /nfs/dbraw/zinc/47/72/58/666477258.db2.gz GHQNHEBLXPYUQX-OZAJXLCCSA-N -1 3 353.444 0.841 10 0 FCAEHM COc1cc(F)c(S(=O)(=O)[N-]CCC2CS(=O)(=O)C2)cc1F ZINC000914423427 666755654 /nfs/dbraw/zinc/75/56/54/666755654.db2.gz XTNALZMQOYLEGS-UHFFFAOYSA-N -1 3 355.384 0.686 10 0 FCAEHM CO[C@@H]1COC[C@H]1[N-]S(=O)(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000916619105 667009948 /nfs/dbraw/zinc/00/99/48/667009948.db2.gz JFOSBKJGTFVJHI-JHJVBQTASA-N -1 3 364.464 0.719 10 0 FCAEHM O=S(=O)([N-]C[C@@H]1CN2CCN1CCC2)c1c[nH]nc1C(F)(F)F ZINC000917062176 667050744 /nfs/dbraw/zinc/05/07/44/667050744.db2.gz UGDJYWIWJFOQRD-SECBINFHSA-N -1 3 353.370 0.097 10 0 FCAEHM COc1ncc(S(=O)(=O)[N-][C@H](CO)[C@@H]2CCC[C@@H](OC)C2)s1 ZINC000917193884 667063322 /nfs/dbraw/zinc/06/33/22/667063322.db2.gz OSRNUFZMRLAYIT-GMTAPVOTSA-N -1 3 350.462 0.996 10 0 FCAEHM O=S(=O)([N-]CC12COCCN1CCOC2)c1cnc(Cl)c(F)c1 ZINC000918386756 667118911 /nfs/dbraw/zinc/11/89/11/667118911.db2.gz IZIMBGSFVXADLN-UHFFFAOYSA-N -1 3 365.814 0.254 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]C[C@@H]2C[C@@H]3COC[C@@H]3O2)c(Br)n1 ZINC000921614069 667144239 /nfs/dbraw/zinc/14/42/39/667144239.db2.gz MDFLXFKKOWPXOM-VGMNWLOBSA-N -1 3 366.237 0.265 10 0 FCAEHM O=S(=O)([N-][C@@H](CO)CN1CCOCC1)c1cc(F)c(F)c(F)c1 ZINC000918989953 667149410 /nfs/dbraw/zinc/14/94/10/667149410.db2.gz WTTIBHCKLILXOW-SECBINFHSA-N -1 3 354.350 0.075 10 0 FCAEHM O=C(C[N-]S(=O)(=O)C1CN(C(=O)C2CCCC2)C1)c1cncs1 ZINC000921677902 667229081 /nfs/dbraw/zinc/22/90/81/667229081.db2.gz GYRWFRVQCBLEMB-UHFFFAOYSA-N -1 3 357.457 0.646 10 0 FCAEHM CN1C[C@H](CC[N-]S(=O)(=O)N=[S@](C)(=O)c2ccccc2)CC1=O ZINC000921057579 667266051 /nfs/dbraw/zinc/26/60/51/667266051.db2.gz BNXGHFFBXUIZPG-VERVWZFWSA-N -1 3 359.473 0.846 10 0 FCAEHM COC(=O)/C(C)=C\C[N-]S(=O)(=O)c1cnn(C)c1Br ZINC000921221383 667273177 /nfs/dbraw/zinc/27/31/77/667273177.db2.gz OZBAZWLEKHAAOC-DAXSKMNVSA-N -1 3 352.210 0.580 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)ccc1F ZINC000752411941 667514544 /nfs/dbraw/zinc/51/45/44/667514544.db2.gz DTJYRPDNLBRHAG-ONGXEEELSA-N -1 3 357.407 0.460 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CCN2C2CCOCC2)o1 ZINC000921912799 667539564 /nfs/dbraw/zinc/53/95/64/667539564.db2.gz RWGYPIAJSIQOMT-GFCCVEGCSA-N -1 3 358.416 0.598 10 0 FCAEHM COC(=O)[C@H]([N-]S(=O)(=O)c1cn(C)nc1Br)C(C)C ZINC000921976283 667557168 /nfs/dbraw/zinc/55/71/68/667557168.db2.gz LHPRAWINHMUECE-MRVPVSSYSA-N -1 3 354.226 0.659 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)OCc1cccc(-n2cccn2)c1 ZINC000754842756 667613676 /nfs/dbraw/zinc/61/36/76/667613676.db2.gz VRDZYGYXOUBFKO-UHFFFAOYSA-N -1 3 367.427 0.871 10 0 FCAEHM C[C@@H](CC(=O)N1CC=C[C@@H]1CO)[N-]S(=O)(=O)c1cccnc1Cl ZINC000922269968 667630381 /nfs/dbraw/zinc/63/03/81/667630381.db2.gz SHIXRUJNVMBXET-WDEREUQCSA-N -1 3 359.835 0.551 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC(=O)N(C)C2)ccc1F ZINC000737689992 667885225 /nfs/dbraw/zinc/88/52/25/667885225.db2.gz NKMLPPVQBQBRBS-GFCCVEGCSA-N -1 3 371.434 0.863 10 0 FCAEHM CCOC(=O)[C@H]1CCCN(C(=O)CN(C)Cc2nc(C)cc(=O)[n-]2)C1 ZINC000761863489 667896586 /nfs/dbraw/zinc/89/65/86/667896586.db2.gz AUNLZMITUUXFPM-ZDUSSCGKSA-N -1 3 350.419 0.724 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCc2noc(C3CC3)n2)ccc1F ZINC000764243831 667978869 /nfs/dbraw/zinc/97/88/69/667978869.db2.gz OMTWQTOHKUAJCP-UHFFFAOYSA-N -1 3 354.363 0.924 10 0 FCAEHM C[C@@H](CC(=O)NCc1ccn(C)n1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000765914793 668016939 /nfs/dbraw/zinc/01/69/39/668016939.db2.gz PMBQBLYLZRSCNF-JTQLQIEISA-N -1 3 371.850 0.842 10 0 FCAEHM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCCCCN1CCOCC1 ZINC000765983157 668018598 /nfs/dbraw/zinc/01/85/98/668018598.db2.gz KWLPKGOOXBTQSS-LBPRGKRZSA-N -1 3 353.385 0.918 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000774784862 668173388 /nfs/dbraw/zinc/17/33/88/668173388.db2.gz QPRYLCDBZSEJCQ-VHSXEESVSA-N -1 3 364.855 0.296 10 0 FCAEHM CCN1CCN(c2ccc(C(=O)[N-]S(=O)(=O)[C@H](C)COC)cc2)CC1 ZINC000777319479 668319562 /nfs/dbraw/zinc/31/95/62/668319562.db2.gz IMZRHPRXZIKQFW-CQSZACIVSA-N -1 3 369.487 0.923 10 0 FCAEHM CC[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C(=O)NC)cc1)N(CC)CC ZINC000778707447 668383374 /nfs/dbraw/zinc/38/33/74/668383374.db2.gz RYKPTVCAXPYONK-CQSZACIVSA-N -1 3 355.460 0.972 10 0 FCAEHM Cn1nnc(C[N-]S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)n1 ZINC000785404752 668712088 /nfs/dbraw/zinc/71/20/88/668712088.db2.gz HGJSLJICTFHEMN-UHFFFAOYSA-N -1 3 364.309 0.189 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](C)N2CCCCC2=O)ccc1F ZINC000787972947 668817840 /nfs/dbraw/zinc/81/78/40/668817840.db2.gz IOZVAYVFQQGJJQ-NSHDSACASA-N -1 3 371.434 0.865 10 0 FCAEHM O=C([N-]S(=O)(=O)N1CCOCC1)c1cccc(CN2CCCC2)c1 ZINC000805888956 668856485 /nfs/dbraw/zinc/85/64/85/668856485.db2.gz WKPMBYKDVYUQPA-UHFFFAOYSA-N -1 3 353.444 0.589 10 0 FCAEHM CCN1CN(C(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)CC1=O ZINC000791985220 668897589 /nfs/dbraw/zinc/89/75/89/668897589.db2.gz FCCPFWLGJVAKRS-UHFFFAOYSA-N -1 3 373.381 0.667 10 0 FCAEHM CS(=O)(=O)c1cc(S(=O)(=O)[N-][C@H]2[C@@H]3COC[C@@H]32)c(Cl)s1 ZINC000795300747 669024831 /nfs/dbraw/zinc/02/48/31/669024831.db2.gz GRFPJKWUSNFCFS-KPCSLPGQSA-N -1 3 357.862 0.728 10 0 FCAEHM O=C([N-][C@H](CO)CN1CCOCC1)C(F)(F)c1c(F)cccc1F ZINC000820015746 669048660 /nfs/dbraw/zinc/04/86/60/669048660.db2.gz MBFFTCCBRHCRMD-JTQLQIEISA-N -1 3 350.312 0.866 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]C[C@H]2CCCCN2S(C)(=O)=O)nc1Cl ZINC000796177596 669085518 /nfs/dbraw/zinc/08/55/18/669085518.db2.gz WUVFKHRMVFOCLG-SECBINFHSA-N -1 3 370.884 0.166 10 0 FCAEHM CC(C(=O)[N-]S(=O)(=O)C1CCCCC1)S(=O)(=O)C1CCOCC1 ZINC000796917507 669138753 /nfs/dbraw/zinc/13/87/53/669138753.db2.gz KFTKBVLQPRJNHB-NSHDSACASA-N -1 3 367.489 0.747 10 0 FCAEHM Cc1nsc(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)n1 ZINC000799635745 669306834 /nfs/dbraw/zinc/30/68/34/669306834.db2.gz VNVCGORWFZZADF-UHFFFAOYSA-N -1 3 362.383 0.833 10 0 FCAEHM C=CC(=O)NCCC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000799740953 669312530 /nfs/dbraw/zinc/31/25/30/669312530.db2.gz GYTWBPNDISLCJY-UHFFFAOYSA-N -1 3 361.370 0.052 10 0 FCAEHM CC(C)(CNC(=O)NCc1nc(C(F)(F)F)n[n-]1)[C@]1(O)CCOC1 ZINC000826946195 669526238 /nfs/dbraw/zinc/52/62/38/669526238.db2.gz LHZZHRPUPALXKS-LBPRGKRZSA-N -1 3 351.329 0.800 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-][C@@H](C)C(=O)OCC(C)C)C1CCOCC1 ZINC000827403846 669565331 /nfs/dbraw/zinc/56/53/31/669565331.db2.gz WXOFHFKGBMVPMW-JSGCOSHPSA-N -1 3 351.465 0.935 10 0 FCAEHM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC[C@@H]1CCCCN1CCO ZINC000833559329 669935098 /nfs/dbraw/zinc/93/50/98/669935098.db2.gz NGEHCRDYAJZOSQ-RYUDHWBXSA-N -1 3 353.385 0.653 10 0 FCAEHM CO[C@@]1(C[N-]S(=O)(=O)c2cn(C)nc2Br)CCOC1 ZINC000867109060 669942281 /nfs/dbraw/zinc/94/22/81/669942281.db2.gz FZIKBRAOVTWNKG-SNVBAGLBSA-N -1 3 354.226 0.266 10 0 FCAEHM CCC(=O)C[N-]S(=O)(=O)c1cnn(C)c1I ZINC000867111658 669966736 /nfs/dbraw/zinc/96/67/36/669966736.db2.gz JOTYOZSPJMQTBH-UHFFFAOYSA-N -1 3 357.173 0.282 10 0 FCAEHM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)c2cn(C)c(=O)[nH]2)n[n-]1 ZINC000834687354 669969944 /nfs/dbraw/zinc/96/99/44/669969944.db2.gz QODGDIRVAGMSBN-SECBINFHSA-N -1 3 350.379 0.938 10 0 FCAEHM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)c2cn(C)c(=O)[nH]2)n1 ZINC000834687354 669969948 /nfs/dbraw/zinc/96/99/48/669969948.db2.gz QODGDIRVAGMSBN-SECBINFHSA-N -1 3 350.379 0.938 10 0 FCAEHM CC(C)(C)OC(=O)N1CC(CS(=O)(=O)[N-]CC2(C)OCCCO2)C1 ZINC000867188878 670057527 /nfs/dbraw/zinc/05/75/27/670057527.db2.gz YRVZEVFBFWRMBQ-UHFFFAOYSA-N -1 3 364.464 0.926 10 0 FCAEHM C[C@H](O)CCC[N-]S(=O)(=O)c1cnn(C)c1I ZINC000867204839 670072170 /nfs/dbraw/zinc/07/21/70/670072170.db2.gz QWXLTCPOTFGXAN-ZETCQYMHSA-N -1 3 373.216 0.464 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)OC[C@H]1COCCO1 ZINC000837485213 670111781 /nfs/dbraw/zinc/11/17/81/670111781.db2.gz YWMBSOJWPJPIDY-MRVPVSSYSA-N -1 3 355.821 0.638 10 0 FCAEHM C[C@H](O)[C@H]1CN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CCO1 ZINC000840565836 670511802 /nfs/dbraw/zinc/51/18/02/670511802.db2.gz LJNLBMFGZXAMHH-IINYFYTJSA-N -1 3 372.418 0.488 10 0 FCAEHM Cn1nncc1S(=O)(=O)[N-]C(=O)c1cccc(CN2CCCCC2)c1 ZINC000842341764 670670726 /nfs/dbraw/zinc/67/07/26/670670726.db2.gz TVRLJVZYAKVTTG-UHFFFAOYSA-N -1 3 363.443 0.920 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]Cc1cc(Br)no1)[C@H]1CCOC1 ZINC000867322838 670781544 /nfs/dbraw/zinc/78/15/44/670781544.db2.gz FDDWRLXGZWSURY-WPRPVWTQSA-N -1 3 369.237 0.908 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CN(C)C(=O)[C@@H]2C)ccc1F ZINC000843738855 670850594 /nfs/dbraw/zinc/85/05/94/670850594.db2.gz XABQWMBKLYTKRU-JTQLQIEISA-N -1 3 357.407 0.773 10 0 FCAEHM CCN1CCN(CC(C)(C)[N-]S(=O)(=O)c2occc2C(=O)OC)CC1 ZINC000867373663 670950743 /nfs/dbraw/zinc/95/07/43/670950743.db2.gz YIUXNQRBURUHBZ-UHFFFAOYSA-N -1 3 373.475 0.761 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)OC[C@@H]1CN(C2CC2)C(=O)O1 ZINC000845076214 670962994 /nfs/dbraw/zinc/96/29/94/670962994.db2.gz LSKIEASFULGFMV-NSHDSACASA-N -1 3 373.387 0.096 10 0 FCAEHM NC(=O)[C@H]1C[C@@H](NC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)C1 ZINC000845447240 671005015 /nfs/dbraw/zinc/00/50/15/671005015.db2.gz KOBCBWDHBNVXBG-BBBLOLIVSA-N -1 3 350.341 0.350 10 0 FCAEHM CCOC(=O)c1ccc(S(=O)(=O)[N-]CC(=O)N(CC)OC)c(F)c1 ZINC000845951453 671056472 /nfs/dbraw/zinc/05/64/72/671056472.db2.gz DRZZMEYSJHBONC-UHFFFAOYSA-N -1 3 362.379 0.691 10 0 FCAEHM CC(C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867407117 671091722 /nfs/dbraw/zinc/09/17/22/671091722.db2.gz NIBYWPOLKPVEDR-ZETCQYMHSA-N -1 3 353.242 0.374 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@H](CO)[C@H]2CCCOC2)c(Br)n1 ZINC000867407525 671092432 /nfs/dbraw/zinc/09/24/32/671092432.db2.gz UPJDWIVIRPLRDB-DTWKUNHWSA-N -1 3 368.253 0.248 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@@H](CO)[C@H]2CCCOC2)c(Br)n1 ZINC000867407526 671092518 /nfs/dbraw/zinc/09/25/18/671092518.db2.gz UPJDWIVIRPLRDB-IUCAKERBSA-N -1 3 368.253 0.248 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]C[C@H]2CCN(C)C(=O)C2)c(Br)n1 ZINC000867427946 671122501 /nfs/dbraw/zinc/12/25/01/671122501.db2.gz AMWPBYCFEYOXOW-QMMMGPOBSA-N -1 3 365.253 0.329 10 0 FCAEHM CO[C@H](C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)[C@H]1CCOC1 ZINC000847098101 671171598 /nfs/dbraw/zinc/17/15/98/671171598.db2.gz KLACLGRTKYKHQK-RYUDHWBXSA-N -1 3 352.353 0.955 10 0 FCAEHM CO[C@](C)(CO)CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000848265177 671263973 /nfs/dbraw/zinc/26/39/73/671263973.db2.gz IKDYMNFDWNTKQZ-HNNXBMFYSA-N -1 3 360.407 0.394 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2CN(C3CC3)C(=O)O2)ccc1F ZINC000848366251 671272149 /nfs/dbraw/zinc/27/21/49/671272149.db2.gz QEXFZRKMWJGRAR-NSHDSACASA-N -1 3 371.390 0.447 10 0 FCAEHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C[C@](C)(CO)OC)c1F ZINC000848467397 671278940 /nfs/dbraw/zinc/27/89/40/671278940.db2.gz OPYUDMVLOUWVTG-CYBMUJFWSA-N -1 3 353.343 0.427 10 0 FCAEHM COC(=O)c1csc(S(=O)(=O)[N-]C[C@H]2CN(C3CC3)C(=O)O2)c1 ZINC000848512849 671282841 /nfs/dbraw/zinc/28/28/41/671282841.db2.gz HKABWRWTRLOXBO-JTQLQIEISA-N -1 3 360.413 0.796 10 0 FCAEHM Cc1cc(C(N)=O)cc(S(=O)(=O)NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000849388286 671333828 /nfs/dbraw/zinc/33/38/28/671333828.db2.gz RZQSDUDPUQDEMO-UHFFFAOYSA-N -1 3 363.321 0.709 10 0 FCAEHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@@H](OC)[C@H]2CCOC2)c1 ZINC000849415198 671340276 /nfs/dbraw/zinc/34/02/76/671340276.db2.gz YOMMSQDMEBGNOY-WCQYABFASA-N -1 3 361.391 0.942 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CC[S@@](=O)CC(F)(F)F ZINC000849421656 671341117 /nfs/dbraw/zinc/34/11/17/671341117.db2.gz UCIIQGQHUIEYSR-HXUWFJFHSA-N -1 3 367.802 0.971 10 0 FCAEHM COC(=O)c1ncccc1S(=O)(=O)[N-]C[C@]12OCCC[C@H]1C2(F)F ZINC000849459279 671349378 /nfs/dbraw/zinc/34/93/78/671349378.db2.gz KECVNRFDZNWNRF-MFKMUULPSA-N -1 3 362.354 0.961 10 0 FCAEHM COC[C@H](COC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)OC ZINC000849722259 671360512 /nfs/dbraw/zinc/36/05/12/671360512.db2.gz VISHJNPQABWGIT-MRVPVSSYSA-N -1 3 357.837 0.884 10 0 FCAEHM CC(C)OCCO[N-]C(=O)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000850819063 671409929 /nfs/dbraw/zinc/40/99/29/671409929.db2.gz IXNONIKVZGJCJS-OAHLLOKOSA-N -1 3 351.403 0.759 10 0 FCAEHM CC(C)OCCO[N-]C(=O)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000850819062 671409971 /nfs/dbraw/zinc/40/99/71/671409971.db2.gz IXNONIKVZGJCJS-HNNXBMFYSA-N -1 3 351.403 0.759 10 0 FCAEHM CCS(=O)(=O)C1(C[N-]S(=O)(=O)c2c(C)nn(C)c2Cl)CC1 ZINC000851830429 671472278 /nfs/dbraw/zinc/47/22/78/671472278.db2.gz VNGXIJUSYCHCQG-UHFFFAOYSA-N -1 3 355.869 0.628 10 0 FCAEHM Cc1cc(=O)[n-]c(CN(CCNC(=O)OC(C)(C)C)C[C@@H](O)CO)n1 ZINC000852180794 671493129 /nfs/dbraw/zinc/49/31/29/671493129.db2.gz YVWFEMJFPZRAGQ-GFCCVEGCSA-N -1 3 356.423 0.171 10 0 FCAEHM C[C@@H]1CCN(C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000852756278 671523521 /nfs/dbraw/zinc/52/35/21/671523521.db2.gz BLVOTGMXMYBHJV-WOPDTQHZSA-N -1 3 371.425 0.657 10 0 FCAEHM CN(C)C(=O)N(C)[C@H]1CCN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC000854005116 671563650 /nfs/dbraw/zinc/56/36/50/671563650.db2.gz MVEQPHJKIBTDHU-QMMMGPOBSA-N -1 3 363.344 0.721 10 0 FCAEHM CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC000854005115 671563684 /nfs/dbraw/zinc/56/36/84/671563684.db2.gz MVEQPHJKIBTDHU-MRVPVSSYSA-N -1 3 363.344 0.721 10 0 FCAEHM CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000854453320 671579017 /nfs/dbraw/zinc/57/90/17/671579017.db2.gz DJGGCLDHBQVMRM-JFGNBEQYSA-N -1 3 366.443 0.788 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NCCC1SCCS1 ZINC000857334737 671725255 /nfs/dbraw/zinc/72/52/55/671725255.db2.gz JPDGJDZQEOJMQT-UHFFFAOYSA-N -1 3 365.502 0.882 10 0 FCAEHM NC(=O)[C@H]1C[C@H](NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)C1 ZINC000858770235 671775867 /nfs/dbraw/zinc/77/58/67/671775867.db2.gz PXZBPHDUPYNGNN-MGCOHNPYSA-N -1 3 350.341 0.350 10 0 FCAEHM CCO[C@@H](CS(=O)(=O)[N-]CC(=O)N(C)OCC(F)(F)F)C1CC1 ZINC000859235945 671803319 /nfs/dbraw/zinc/80/33/19/671803319.db2.gz YYMQGUNFHPONLG-JTQLQIEISA-N -1 3 362.370 0.673 10 0 FCAEHM CCON(CC)C(=O)C[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F ZINC000859272777 671806853 /nfs/dbraw/zinc/80/68/53/671806853.db2.gz VTIFZHBGEMIVMT-UHFFFAOYSA-N -1 3 361.351 0.339 10 0 FCAEHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C[C@H](O)[C@H]2CCCO2)c1F ZINC000859284810 671809214 /nfs/dbraw/zinc/80/92/14/671809214.db2.gz RGWBMTZBZDXCFW-VHSXEESVSA-N -1 3 365.354 0.570 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](O)[C@H]2CCCO2)ccc1F ZINC000862652340 672062709 /nfs/dbraw/zinc/06/27/09/672062709.db2.gz XKGJBCFYAIWLJH-ZIAGYGMSSA-N -1 3 374.434 0.782 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](O)[C@H]2CCCO2)ccc1F ZINC000862652339 672062764 /nfs/dbraw/zinc/06/27/64/672062764.db2.gz XKGJBCFYAIWLJH-UONOGXRCSA-N -1 3 374.434 0.782 10 0 FCAEHM C[S@](=O)(=NS(=O)(=O)[N-]CCCN1CCCC1=O)c1ccccc1 ZINC000866441380 672274130 /nfs/dbraw/zinc/27/41/30/672274130.db2.gz YLQXHVQSXWRHJQ-JOCHJYFZSA-N -1 3 359.473 0.990 10 0 FCAEHM CC[S@@](C)(=O)=NS(=O)(=O)[N-]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000866500227 672278673 /nfs/dbraw/zinc/27/86/73/672278673.db2.gz BIKWEOONYZLHNB-OAQYLSRUSA-N -1 3 353.510 0.976 10 0 FCAEHM CCOCC[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866523965 672280189 /nfs/dbraw/zinc/28/01/89/672280189.db2.gz XJVNOTHUNQJWRH-UHFFFAOYSA-N -1 3 359.189 0.340 10 0 FCAEHM COC(=O)CSCC[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000866742762 672295530 /nfs/dbraw/zinc/29/55/30/672295530.db2.gz SMYVJJIJDYLGES-UHFFFAOYSA-N -1 3 372.266 0.367 10 0 FCAEHM CCn1nnc(C)c1C[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000867444967 672316704 /nfs/dbraw/zinc/31/67/04/672316704.db2.gz VWDCBWXXCGLODH-UHFFFAOYSA-N -1 3 352.342 0.837 10 0 FCAEHM COC(=O)CC1([N-]S(=O)(=O)c2cnn(C)c2Br)CC1 ZINC000867459216 672319287 /nfs/dbraw/zinc/31/92/87/672319287.db2.gz RCZLFMNSLRJWJJ-UHFFFAOYSA-N -1 3 352.210 0.557 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1)C(=O)OCc1ccccc1 ZINC000867482767 672323663 /nfs/dbraw/zinc/32/36/63/672323663.db2.gz DYHSQFBUUUPJKF-SWLSCSKDSA-N -1 3 366.439 0.801 10 0 FCAEHM O=C(N1CCC[C@@H](C[N-]S(=O)(=O)c2c[nH]c(=O)s2)C1)C(F)(F)F ZINC000867487891 672324436 /nfs/dbraw/zinc/32/44/36/672324436.db2.gz VEPATZXZYYCIEU-ZETCQYMHSA-N -1 3 373.378 0.928 10 0 FCAEHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cn(C)nc2Br)c2ncnn21 ZINC000867499743 672326656 /nfs/dbraw/zinc/32/66/56/672326656.db2.gz WPIJKABFAZSPRI-RQJHMYQMSA-N -1 3 361.225 0.758 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@@H]2CCCC23OCCO3)c(Br)n1 ZINC000867527738 672331447 /nfs/dbraw/zinc/33/14/47/672331447.db2.gz JKCVMBSNDDFRGP-SECBINFHSA-N -1 3 366.237 0.757 10 0 FCAEHM COC(=O)C1=CC[C@H]([N-]S(=O)(=O)c2cn(C)nc2Br)C1 ZINC000867556812 672336448 /nfs/dbraw/zinc/33/64/48/672336448.db2.gz HPCDBRANMBXRAI-QMMMGPOBSA-N -1 3 364.221 0.723 10 0 FCAEHM CON(C)C(=O)[C@H](C)[N-]S(=O)(=O)Cc1ncsc1Br ZINC000867566642 672338461 /nfs/dbraw/zinc/33/84/61/672338461.db2.gz FIJXKZAJSNMOLJ-LURJTMIESA-N -1 3 372.266 0.733 10 0 FCAEHM Cc1ccc(Br)c(CS(=O)(=O)[N-][C@@H]2COC[C@@H]2O)c1 ZINC000867585729 672342506 /nfs/dbraw/zinc/34/25/06/672342506.db2.gz GYDAIHAUMPXCBP-NEPJUHHUSA-N -1 3 350.234 0.937 10 0 FCAEHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H]2CCCN(CCF)C2)s1 ZINC000867713112 672358090 /nfs/dbraw/zinc/35/80/90/672358090.db2.gz MIXOIBFAOVZOFX-SNVBAGLBSA-N -1 3 350.441 0.814 10 0 FCAEHM CN1CCN(C2CCN(S(=O)(=O)c3cc([O-])cc(F)c3)CC2)CC1 ZINC000867816713 672371902 /nfs/dbraw/zinc/37/19/02/672371902.db2.gz IWBXUCUTVCORQB-UHFFFAOYSA-N -1 3 357.451 0.932 10 0 FCAEHM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]Cc1ncc(Br)s1 ZINC000867862766 672374623 /nfs/dbraw/zinc/37/46/23/672374623.db2.gz GEMAVAZFWDEPLO-ZCFIWIBFSA-N -1 3 356.267 0.802 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H]2CCCCN(C)C2=O)ccc1F ZINC000870604329 672498530 /nfs/dbraw/zinc/49/85/30/672498530.db2.gz NVIXGNXCPJLGHT-CYBMUJFWSA-N -1 3 371.434 0.817 10 0 FCAEHM COC(OC)[C@H](C)NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000923674644 673061765 /nfs/dbraw/zinc/06/17/65/673061765.db2.gz SSNKUFZWOYOOMO-LBPRGKRZSA-N -1 3 351.403 0.867 10 0 FCAEHM O=C(CN1CSCC1=O)N[N-]C(=O)c1ccccc1Br ZINC000007913454 673727091 /nfs/dbraw/zinc/72/70/91/673727091.db2.gz JIZOWONRGCMMPK-UHFFFAOYSA-N -1 3 358.217 0.743 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CNOC2)c(Cl)cc1Cl ZINC000923726531 673738761 /nfs/dbraw/zinc/73/87/61/673738761.db2.gz KVYGAPDFQPEVEH-LURJTMIESA-N -1 3 355.199 0.962 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN3CCSC[C@@H]23)o1 ZINC000928094448 673900464 /nfs/dbraw/zinc/90/04/64/673900464.db2.gz QFGOJGIZFCFAPG-QWRGUYRKSA-N -1 3 359.473 0.497 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC(=O)N(C)[C@@H](C)C2)ccc1F ZINC000800651641 675687003 /nfs/dbraw/zinc/68/70/03/675687003.db2.gz GDSCOPDCHVFGCC-NSHDSACASA-N -1 3 371.434 0.815 10 0 FCAEHM CC[C@@H](CNC(=O)c1cnc[n-]c1=O)NC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001746166353 1192277714 /nfs/dbraw/zinc/27/77/14/1192277714.db2.gz CLJQPUNVLGBZDG-MELADBBJSA-N -1 3 362.430 0.870 10 0 FCAEHM COCCCCC(=O)N1CC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@@H]2C1 ZINC001719577290 1168149931 /nfs/dbraw/zinc/14/99/31/1168149931.db2.gz BCZBHCFFBZWBDT-KGLIPLIRSA-N -1 3 362.430 0.919 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@H]1CCN(C(=O)c2cocn2)[C@@H]1C ZINC001719627142 1170841671 /nfs/dbraw/zinc/84/16/71/1170841671.db2.gz KVHPBUVCLYNWHI-YPMHNXCESA-N -1 3 359.386 0.831 10 0 FCAEHM C[C@H](CNC(=O)C[C@@H]1C[C@H]1Cc1ccccc1)NCc1nc(=O)n(C)[n-]1 ZINC001266956171 1171077912 /nfs/dbraw/zinc/07/79/12/1171077912.db2.gz NFERIHGDJLBPMW-BMFZPTHFSA-N -1 3 357.458 0.972 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](CNC(=O)C(=O)C(C)(C)C)[C@H](C)C1 ZINC001719703308 1179543425 /nfs/dbraw/zinc/54/34/25/1179543425.db2.gz ABCJWPRATYWCCI-ZYHUDNBSSA-N -1 3 362.430 0.930 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cncn2C)C[C@H]1CCNC(=O)c1cnc[n-]c1=O ZINC001719759256 1179899888 /nfs/dbraw/zinc/89/98/88/1179899888.db2.gz CFJAOPHWRBTEIC-VXGBXAGGSA-N -1 3 358.402 0.444 10 0 FCAEHM CCN1CCN(CC(=O)OCc2noc(-c3ccccc3[O-])n2)C(=O)C1=O ZINC000782894185 1182216407 /nfs/dbraw/zinc/21/64/07/1182216407.db2.gz OPBLQJOKFJNERV-UHFFFAOYSA-N -1 3 374.353 0.176 10 0 FCAEHM COC(=O)[C@H]1CCCN(CC(=O)Nc2cccc(Cc3nnn[n-]3)c2)C1=O ZINC001625917169 1186521528 /nfs/dbraw/zinc/52/15/28/1186521528.db2.gz SAJVSGLNUWWSIV-ZDUSSCGKSA-N -1 3 372.385 0.141 10 0 FCAEHM COC(=O)[C@H]1CCCN(CC(=O)Nc2cccc(Cc3nn[n-]n3)c2)C1=O ZINC001625917169 1186521531 /nfs/dbraw/zinc/52/15/31/1186521531.db2.gz SAJVSGLNUWWSIV-ZDUSSCGKSA-N -1 3 372.385 0.141 10 0 FCAEHM Cn1nccc1[C@@H]1C[C@H]1C(=O)N(CCNC(=O)c1cnc[n-]c1=O)C1CC1 ZINC001745524361 1186633229 /nfs/dbraw/zinc/63/32/29/1186633229.db2.gz GONQEEJMLSAUKU-CHWSQXEVSA-N -1 3 370.413 0.440 10 0 FCAEHM C[C@H](CNCc1cc(=O)n2[n-]ccc2n1)N(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001271043414 1189526776 /nfs/dbraw/zinc/52/67/76/1189526776.db2.gz KVBOSWQJBYYARY-VAGZCVSGSA-N -1 3 373.457 0.774 10 0 FCAEHM Cc1cc(OCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cnc[n-]c2=O)no1 ZINC001719904777 1190871544 /nfs/dbraw/zinc/87/15/44/1190871544.db2.gz RMXXQEVWWHXGBU-RTXFEEFZSA-N -1 3 373.369 0.419 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)C3(C(=O)NC4CC4)CCC3)CC2)n1 ZINC000899500158 1194163587 /nfs/dbraw/zinc/16/35/87/1194163587.db2.gz ACVZQSSXLAEIRQ-UHFFFAOYSA-N -1 3 359.430 0.588 10 0 FCAEHM COC(=O)[C@@H](NC(=O)CCNC(=O)c1ccc(C)cc1[O-])c1ccnn1C ZINC000592890188 1196584024 /nfs/dbraw/zinc/58/40/24/1196584024.db2.gz TWIBNGFNXAKDPH-INIZCTEOSA-N -1 3 374.397 0.585 10 0 FCAEHM COCCCNC(=O)COC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000046332156 1196611566 /nfs/dbraw/zinc/61/15/66/1196611566.db2.gz RXPZZNXHLYJZBN-AWEZNQCLSA-N -1 3 364.398 0.693 10 0 FCAEHM Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CCC(=O)NCCCc1c[n-][nH]c1=O ZINC001168402609 1196639621 /nfs/dbraw/zinc/63/96/21/1196639621.db2.gz FABCHEUOVYUSQC-LBPRGKRZSA-N -1 3 372.429 0.439 10 0 FCAEHM COc1ccccc1-c1nnc(CC(=O)NCCCc2c[n-][nH]c2=O)o1 ZINC001168405822 1196740234 /nfs/dbraw/zinc/74/02/34/1196740234.db2.gz WDEVOFPSWHBYFG-LLVKDONJSA-N -1 3 357.370 0.916 10 0 FCAEHM O=C(CCCN1C(=O)c2ccccc2C1=O)NCCCc1c[n-][nH]c1=O ZINC001168406357 1196745329 /nfs/dbraw/zinc/74/53/29/1196745329.db2.gz ZTAYODUSQYOXGI-LBPRGKRZSA-N -1 3 356.382 0.691 10 0 FCAEHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)[C@H](C)N1C(=O)[C@@H]3CCCC[C@H]3C1=O)C2 ZINC001168929702 1199041269 /nfs/dbraw/zinc/04/12/69/1199041269.db2.gz KAFNAIRIWZDHBA-MVWJERBFSA-N -1 3 358.398 0.897 10 0 FCAEHM C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCCc3c(=O)[n-]cnc31)C2=O ZINC001132783844 1202967041 /nfs/dbraw/zinc/96/70/41/1202967041.db2.gz XQYDLRWAGYNCHQ-ZMZPIMSZSA-N -1 3 373.413 0.962 10 0 FCAEHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3cn(C)c(=O)n(C)c3=O)nc21 ZINC001134941068 1203033253 /nfs/dbraw/zinc/03/32/53/1203033253.db2.gz TUENXMVINWCITC-UHFFFAOYSA-N -1 3 371.353 0.389 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCN(CC(=O)NC(C)C)CC2)c1 ZINC001135777363 1203085325 /nfs/dbraw/zinc/08/53/25/1203085325.db2.gz KKEAQPVHCLUYQL-UHFFFAOYSA-N -1 3 374.441 0.799 10 0 FCAEHM CN(C)c1nc(C(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C)cc(=O)[n-]1 ZINC000819552741 1203164415 /nfs/dbraw/zinc/16/44/15/1203164415.db2.gz URELXIMNMVYZPL-JTQLQIEISA-N -1 3 369.422 0.206 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001136653869 1203244028 /nfs/dbraw/zinc/24/40/28/1203244028.db2.gz KDVYHRGNRQBOEN-STQMWFEESA-N -1 3 368.434 0.641 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@]1(Cc2ccccc2)CCN(C)C1=O ZINC001144232733 1204437920 /nfs/dbraw/zinc/43/79/20/1204437920.db2.gz HKTFCMWSDCVINK-HNAYVOBHSA-N -1 3 356.426 0.706 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC001144227279 1204438089 /nfs/dbraw/zinc/43/80/89/1204438089.db2.gz SOEOROWZUDPBRQ-SCLBCKFNSA-N -1 3 371.397 0.082 10 0 FCAEHM CN1CCC[C@@H]1c1cc(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)[nH]n1 ZINC001175214527 1206301947 /nfs/dbraw/zinc/30/19/47/1206301947.db2.gz PPEIPHZISDFGHJ-CQSZACIVSA-N -1 3 358.402 0.675 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCC[C@H](NC(=O)[C@@H]3CCCn4ncnc43)C2)n1 ZINC001177879783 1206350747 /nfs/dbraw/zinc/35/07/47/1206350747.db2.gz PDYUKLWARGPIFW-QWHCGFSZSA-N -1 3 357.418 0.745 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccc(-n2cnnn2)cc1 ZINC001180029052 1206387852 /nfs/dbraw/zinc/38/78/52/1206387852.db2.gz XTEZONUTSYYVJB-LBPRGKRZSA-N -1 3 352.358 0.167 10 0 FCAEHM O=C(NC[C@H](CO)NC(=O)[C@@H]1C[C@H]1C1CCC1)c1cccc2n[n-]nc21 ZINC001488004805 1208418818 /nfs/dbraw/zinc/41/88/18/1208418818.db2.gz HZUCGPYITZLTMB-KWCYVHTRSA-N -1 3 357.414 0.601 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)CC(C)(C)C)C[C@H]1O ZINC001489390345 1208811025 /nfs/dbraw/zinc/81/10/25/1208811025.db2.gz OVFNYHIZINEKKZ-CYZMBNFOSA-N -1 3 364.446 0.864 10 0 FCAEHM CO[C@@H]1CN(C(=O)CSC)C[C@H]1NC(=O)CCc1c(C)nc[n-]c1=O ZINC001489531735 1208893439 /nfs/dbraw/zinc/89/34/39/1208893439.db2.gz SGAHZEIVOVWKEU-CHWSQXEVSA-N -1 3 368.459 0.128 10 0 FCAEHM Cc1ccc(CCC(=O)N[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@@H]2O)cc1 ZINC001489600311 1209026813 /nfs/dbraw/zinc/02/68/13/1209026813.db2.gz FSSJYDYYVYQQTE-CVEARBPZSA-N -1 3 370.409 0.425 10 0 FCAEHM C[C@@H](Oc1cccnc1)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC001489906489 1209147584 /nfs/dbraw/zinc/14/75/84/1209147584.db2.gz VRFBLHRMYLBTIF-FRRDWIJNSA-N -1 3 358.402 0.682 10 0 FCAEHM O=C(CC1(n2cnnn2)CCOCC1)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000850234532 1209445447 /nfs/dbraw/zinc/44/54/47/1209445447.db2.gz FZHXTFHMAWGCMI-UHFFFAOYSA-N -1 3 360.374 0.685 10 0 FCAEHM COC[C@@H](CCNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])OC ZINC000855221298 1209662258 /nfs/dbraw/zinc/66/22/58/1209662258.db2.gz IWSNDHWSMMBQRU-CYBMUJFWSA-N -1 3 365.361 0.655 10 0 FCAEHM COC[C@@H](CCNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O)OC ZINC000855221298 1209662260 /nfs/dbraw/zinc/66/22/60/1209662260.db2.gz IWSNDHWSMMBQRU-CYBMUJFWSA-N -1 3 365.361 0.655 10 0 FCAEHM C[C@H]1C[C@@H](NC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])c2ncnn21 ZINC000855330136 1209665384 /nfs/dbraw/zinc/66/53/84/1209665384.db2.gz DGZIAGWLNKVWRS-JOYOIKCWSA-N -1 3 370.344 0.901 10 0 FCAEHM C[C@H]1C[C@@H](NC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)c2ncnn21 ZINC000855330136 1209665387 /nfs/dbraw/zinc/66/53/87/1209665387.db2.gz DGZIAGWLNKVWRS-JOYOIKCWSA-N -1 3 370.344 0.901 10 0 FCAEHM C[C@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])C[C@H](C)C1O ZINC000855692899 1209678789 /nfs/dbraw/zinc/67/87/89/1209678789.db2.gz SUPATIKQRCEYQS-QWRGUYRKSA-N -1 3 361.373 0.963 10 0 FCAEHM C[C@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)C[C@H](C)C1O ZINC000855692899 1209678795 /nfs/dbraw/zinc/67/87/95/1209678795.db2.gz SUPATIKQRCEYQS-QWRGUYRKSA-N -1 3 361.373 0.963 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])N1CC[C@@H]2COC[C@H]2C1 ZINC000856147195 1209696966 /nfs/dbraw/zinc/69/69/66/1209696966.db2.gz MYYDAQDIGFPSQE-VXGBXAGGSA-N -1 3 359.357 0.982 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c([O-])cc1=O)N1CC[C@@H]2COC[C@H]2C1 ZINC000856147195 1209696968 /nfs/dbraw/zinc/69/69/68/1209696968.db2.gz MYYDAQDIGFPSQE-VXGBXAGGSA-N -1 3 359.357 0.982 10 0 FCAEHM CN(C)C(=O)COc1ccc(C(F)(F)C(=O)[N-][C@@H]2COCCC2=O)cc1 ZINC000862933264 1209929532 /nfs/dbraw/zinc/92/95/32/1209929532.db2.gz DTWXEKLNBQJKJT-CYBMUJFWSA-N -1 3 370.352 0.720 10 0 FCAEHM NC(=O)C1(NC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])CCCCC1 ZINC001626141376 1210746266 /nfs/dbraw/zinc/74/62/66/1210746266.db2.gz NURONTIHDGQJLQ-UHFFFAOYSA-N -1 3 374.372 0.792 10 0 FCAEHM NC(=O)C1(NC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)CCCCC1 ZINC001626141376 1210746268 /nfs/dbraw/zinc/74/62/68/1210746268.db2.gz NURONTIHDGQJLQ-UHFFFAOYSA-N -1 3 374.372 0.792 10 0 FCAEHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CNC(=O)C2)c1 ZINC001299379453 1211117575 /nfs/dbraw/zinc/11/75/75/1211117575.db2.gz IOKWYJIFBGHAAS-JTQLQIEISA-N -1 3 358.354 0.807 10 0 FCAEHM CC(=O)NCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(=O)[n-]c(C3CC3)n1)C2 ZINC001490818307 1211397701 /nfs/dbraw/zinc/39/77/01/1211397701.db2.gz XWQWCWUKZNSGBS-BZPMIXESSA-N -1 3 373.413 0.057 10 0 FCAEHM Cc1noc(CCCC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cn[n-]n2)C3)n1 ZINC001490830684 1211450437 /nfs/dbraw/zinc/45/04/37/1211450437.db2.gz NJXSZSLWTQPFFR-WZRBSPASSA-N -1 3 359.390 0.381 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)/C=C/COC3CCOCC3)CC2)n1 ZINC000924292192 1211466095 /nfs/dbraw/zinc/46/60/95/1211466095.db2.gz JZRQMKVKTPIAEQ-NSCUHMNNSA-N -1 3 362.430 0.891 10 0 FCAEHM O=C(CCc1ccon1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O ZINC001490832226 1211467032 /nfs/dbraw/zinc/46/70/32/1211467032.db2.gz MQMOFLHNGURHPR-BNOWGMLFSA-N -1 3 357.370 0.665 10 0 FCAEHM COC(=O)[C@H]1CN(C)CCN(C(=O)NCCc2c(F)cc([O-])cc2F)C1 ZINC000927783778 1211581309 /nfs/dbraw/zinc/58/13/09/1211581309.db2.gz CVIHXGTWMXOTIS-NSHDSACASA-N -1 3 371.384 0.959 10 0 FCAEHM C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000930491170 1211709475 /nfs/dbraw/zinc/70/94/75/1211709475.db2.gz NYIXIMOZENOCKD-MGPLVRAMSA-N -1 3 367.396 0.928 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCCCNS(=O)(=O)CC)c1 ZINC001626160269 1221312835 /nfs/dbraw/zinc/31/28/35/1221312835.db2.gz IOCAVRBSKVTRMS-UHFFFAOYSA-N -1 3 355.416 0.576 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(C(=O)C(=O)NC[C@@H]3C[C@H]3C)CC2)n[n-]1 ZINC001117059249 1221450282 /nfs/dbraw/zinc/45/02/82/1221450282.db2.gz BJFUUTJQSRQDSJ-PWSUYJOCSA-N -1 3 363.418 0.460 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(C(=O)C(=O)NC[C@@H]3C[C@H]3C)CC2)[n-]1 ZINC001117059249 1221450284 /nfs/dbraw/zinc/45/02/84/1221450284.db2.gz BJFUUTJQSRQDSJ-PWSUYJOCSA-N -1 3 363.418 0.460 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)[C@@H]3CCC(=O)N3C(C)C)CC2)n1 ZINC001124049083 1222377703 /nfs/dbraw/zinc/37/77/03/1222377703.db2.gz REYVIPCJPHIKGM-AWEZNQCLSA-N -1 3 361.446 0.975 10 0 FCAEHM Cc1noc(C2CN(C(=O)c3nn(-c4ccc(F)cc4)c(=O)cc3[O-])C2)n1 ZINC001139967740 1222562002 /nfs/dbraw/zinc/56/20/02/1222562002.db2.gz XTMDTSYHZRTUJC-UHFFFAOYSA-N -1 3 371.328 0.805 10 0 FCAEHM Cc1noc(C2CN(C(=O)c3nn(-c4ccc(F)cc4)c([O-])cc3=O)C2)n1 ZINC001139967740 1222562006 /nfs/dbraw/zinc/56/20/06/1222562006.db2.gz XTMDTSYHZRTUJC-UHFFFAOYSA-N -1 3 371.328 0.805 10 0 FCAEHM CC(C)CNC(=O)CNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001141236531 1222640035 /nfs/dbraw/zinc/64/00/35/1222640035.db2.gz KIXMTZSLUDVJPJ-UHFFFAOYSA-N -1 3 362.361 0.376 10 0 FCAEHM CC(C)CNC(=O)CNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001141236531 1222640041 /nfs/dbraw/zinc/64/00/41/1222640041.db2.gz KIXMTZSLUDVJPJ-UHFFFAOYSA-N -1 3 362.361 0.376 10 0 FCAEHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCN(CCO)C[C@H]1C ZINC001142103143 1222807013 /nfs/dbraw/zinc/80/70/13/1222807013.db2.gz APIMNQXYHUDIQS-CYBMUJFWSA-N -1 3 371.441 0.620 10 0 FCAEHM O=C(COc1ccc(N2CCCC2=O)cc1)NCCCc1c[n-][nH]c1=O ZINC001149263673 1222881563 /nfs/dbraw/zinc/88/15/63/1222881563.db2.gz WCTQZFONSXSEGP-CYBMUJFWSA-N -1 3 358.398 0.820 10 0 FCAEHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)c1cccc(CN2C(=O)CNC2=O)c1 ZINC001164338417 1223237501 /nfs/dbraw/zinc/23/75/01/1223237501.db2.gz MQJCTLZHPYPCRB-UHFFFAOYSA-N -1 3 373.394 0.453 10 0 FCAEHM CO[C@H](C)CC(=O)N[C@@H]1CC[C@H](CNC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001515133379 1265441638 /nfs/dbraw/zinc/44/16/38/1265441638.db2.gz GBVFBZIKSNSGOJ-KGYLQXTDSA-N -1 3 350.419 0.930 10 0 FCAEHM O=C([N-]OCc1cccnc1)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC001328333290 1265534984 /nfs/dbraw/zinc/53/49/84/1265534984.db2.gz JVUZWCNNXJPZFA-MRXNPFEDSA-N -1 3 356.382 0.929 10 0 FCAEHM COCC(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)n1 ZINC001519541121 1265729606 /nfs/dbraw/zinc/72/96/06/1265729606.db2.gz HYDDZGLOHNJPQU-MBNYWOFBSA-N -1 3 360.414 0.663 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)NCc1nc(CNC(=O)[C@@H](C)OC)cc(=O)[n-]1 ZINC001519541443 1265728805 /nfs/dbraw/zinc/72/88/05/1265728805.db2.gz LWDLPSVXRCZSFS-HFAKWTLXSA-N -1 3 366.418 0.265 10 0 FCAEHM CS[C@H](C)C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@]23C[C@H]2COC3)n1 ZINC001519541815 1265729169 /nfs/dbraw/zinc/72/91/69/1265729169.db2.gz XEBAEJSVUHUPJA-LSYCYVAJSA-N -1 3 366.443 0.203 10 0 FCAEHM CC(C)[C@H](F)C(=O)NCc1nc(CNC(=O)[C@]23C[C@H]2COC3)cc(=O)[n-]1 ZINC001519549404 1265730161 /nfs/dbraw/zinc/73/01/61/1265730161.db2.gz PYQKKJHESYPEAV-NCHVAJSOSA-N -1 3 366.393 0.445 10 0 FCAEHM O=C(NC1CC1)[C@@H]1CCCN1C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001251450739 1259748733 /nfs/dbraw/zinc/74/87/33/1259748733.db2.gz FUPAJEVXQNCTQZ-OLZOCXBDSA-N -1 3 360.418 0.214 10 0 FCAEHM C[C@@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)C1N=NC(=O)N1C ZINC001255621066 1259921669 /nfs/dbraw/zinc/92/16/69/1259921669.db2.gz FXDRYXBCRJDNBP-LLVKDONJSA-N -1 3 374.401 0.455 10 0 FCAEHM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC001261874738 1260205113 /nfs/dbraw/zinc/20/51/13/1260205113.db2.gz IMCNLHWFTJSUFY-GOSISDBHSA-N -1 3 369.462 0.269 10 0 FCAEHM Cn1ccnc1CN1CCC(C(=O)N2CCC(Cc3nnn[n-]3)CC2)CC1 ZINC001263899711 1260356901 /nfs/dbraw/zinc/35/69/01/1260356901.db2.gz JULCBWYYPLZDSN-UHFFFAOYSA-N -1 3 372.477 0.627 10 0 FCAEHM Cn1ccnc1CN1CCC(C(=O)N2CCC(Cc3nn[n-]n3)CC2)CC1 ZINC001263899711 1260356910 /nfs/dbraw/zinc/35/69/10/1260356910.db2.gz JULCBWYYPLZDSN-UHFFFAOYSA-N -1 3 372.477 0.627 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H](C)NC(=O)c1c(C)nc[n-]c1=O ZINC001337362975 1260380879 /nfs/dbraw/zinc/38/08/79/1260380879.db2.gz CSWYULFMXUSEKZ-RTXFEEFZSA-N -1 3 350.419 0.882 10 0 FCAEHM COC[C@H](OC)C(=O)N[C@H]1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)[C@@H]1C ZINC001264718821 1260401133 /nfs/dbraw/zinc/40/11/33/1260401133.db2.gz BKRHGCIVSBXHQI-UGFHNGPFSA-N -1 3 364.446 0.800 10 0 FCAEHM CC[C@@H](CC(C)C)C(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1O ZINC001281717947 1261172281 /nfs/dbraw/zinc/17/22/81/1261172281.db2.gz OOUBOCUCCKJPRB-BFHYXJOUSA-N -1 3 364.446 0.864 10 0 FCAEHM CCCC(=O)NCC(=O)N[C@@H]1CC[C@H](CNC(=O)c2cnc[n-]c2=O)C1 ZINC001282132029 1261350359 /nfs/dbraw/zinc/35/03/59/1261350359.db2.gz QVRACOHVRYMVMC-NWDGAFQWSA-N -1 3 363.418 0.113 10 0 FCAEHM O=C(NCc1cc(=O)[n-]c(CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)n1)C(F)F ZINC001282231632 1261387481 /nfs/dbraw/zinc/38/74/81/1261387481.db2.gz BTEKWUBUEQXOQS-GMOODISLSA-N -1 3 370.356 0.495 10 0 FCAEHM CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001472253933 1261455065 /nfs/dbraw/zinc/45/50/65/1261455065.db2.gz DOJVOPDOUDHODQ-VXGBXAGGSA-N -1 3 363.418 0.887 10 0 FCAEHM O=C(CCNC(=O)c1ccc(F)cc1)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001472253384 1261455603 /nfs/dbraw/zinc/45/56/03/1261455603.db2.gz KCHSZZHVLYHULP-CQSZACIVSA-N -1 3 373.388 0.836 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C[C@](O)(c1nccn1C)C(F)(F)F ZINC001472507316 1261471440 /nfs/dbraw/zinc/47/14/40/1261471440.db2.gz XPSOFFMLQKCLNC-RNCFNFMXSA-N -1 3 361.324 0.188 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NCc1cn(C2CCC2)nn1 ZINC001472591479 1261476952 /nfs/dbraw/zinc/47/69/52/1261476952.db2.gz UNUMHJGZZOSSGT-UHFFFAOYSA-N -1 3 368.419 0.203 10 0 FCAEHM C[C@@]1(C2CCN(C(=O)c3ccc4c(c3)C(=O)[N-]C4=O)CC2)COC(=O)N1 ZINC001472620889 1261479326 /nfs/dbraw/zinc/47/93/26/1261479326.db2.gz XDMAMJKHIIYLEY-SFHVURJKSA-N -1 3 357.366 0.921 10 0 FCAEHM C[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O)n1ccnc1 ZINC001282729144 1261600472 /nfs/dbraw/zinc/60/04/72/1261600472.db2.gz WDCRCFMBCAKTAC-GBOPCIDUSA-N -1 3 370.413 0.892 10 0 FCAEHM C[C@H](CNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001284295221 1261745703 /nfs/dbraw/zinc/74/57/03/1261745703.db2.gz CXTNBEDEKIYACN-VGKMCQHDSA-N -1 3 371.393 0.372 10 0 FCAEHM O=C(NC1(CNC(=O)[C@]23C[C@H]2COC3)CC1)c1nnc2ccccc2c1[O-] ZINC001285933140 1261888370 /nfs/dbraw/zinc/88/83/70/1261888370.db2.gz QNBNSDXJSABVTD-WLRWDXFRSA-N -1 3 368.393 0.751 10 0 FCAEHM CN(CCOCCNC(=O)c1cnc[n-]c1=O)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001287411788 1261953815 /nfs/dbraw/zinc/95/38/15/1261953815.db2.gz PTMVDYWPPDINHK-UONOGXRCSA-N -1 3 362.430 0.823 10 0 FCAEHM CN(C[C@@H](O)CNC(=O)c1cccc2n[n-]nc21)C(=O)[C@]12C[C@H]1CCC2 ZINC001288114194 1262002103 /nfs/dbraw/zinc/00/21/03/1262002103.db2.gz ZXJVUXWWCGLXNP-FTLABTOESA-N -1 3 357.414 0.697 10 0 FCAEHM CCN(C(=O)c1cnc[n-]c1=O)[C@H](C)CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001288639544 1262028729 /nfs/dbraw/zinc/02/87/29/1262028729.db2.gz FMAYBZSFKFXIKY-KYOSRNDESA-N -1 3 362.430 0.964 10 0 FCAEHM CC(C)[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C[C@@H]1O ZINC001289745717 1262332300 /nfs/dbraw/zinc/33/23/00/1262332300.db2.gz WXEWQGGZMDFEER-GDLCADMTSA-N -1 3 362.430 0.653 10 0 FCAEHM CCC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1c(C)nc[n-]c1=O ZINC001289894704 1262364361 /nfs/dbraw/zinc/36/43/61/1262364361.db2.gz XZJDLBBXWHHXSU-VXGBXAGGSA-N -1 3 363.418 0.174 10 0 FCAEHM O=C(Cn1cncn1)NC[C@H]1CC[C@@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC001290222390 1262403848 /nfs/dbraw/zinc/40/38/48/1262403848.db2.gz HWAJKJSFRFDQKU-NWDGAFQWSA-N -1 3 368.401 0.264 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC001290443679 1262445217 /nfs/dbraw/zinc/44/52/17/1262445217.db2.gz GIZXYKVJOWDQTR-NTZNESFSSA-N -1 3 364.450 0.465 10 0 FCAEHM COCCCC(=O)N1CC[C@@H]2CN(C(=O)c3c(C)nc[n-]c3=O)C[C@@H]2C1 ZINC001290532272 1262465362 /nfs/dbraw/zinc/46/53/62/1262465362.db2.gz PKDQXKUMPJYMLE-KGLIPLIRSA-N -1 3 362.430 0.838 10 0 FCAEHM COCCCC(=O)N[C@H]1CCN(C(=O)CCc2c(C)nc[n-]c2=O)[C@@H]1C ZINC001290584728 1262472837 /nfs/dbraw/zinc/47/28/37/1262472837.db2.gz VKLZFJMUMNMHBC-HIFRSBDPSA-N -1 3 364.446 0.955 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CCNC(=O)C[C@@H]1CCOC1 ZINC001291588369 1262563054 /nfs/dbraw/zinc/56/30/54/1262563054.db2.gz SJUJUOKTCARUCK-HZSPNIEDSA-N -1 3 362.430 0.823 10 0 FCAEHM C[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1CCNC(=O)c1cnc[n-]c1=O ZINC001291633983 1262570103 /nfs/dbraw/zinc/57/01/03/1262570103.db2.gz NNLRFCGUEQMCJF-CHWSQXEVSA-N -1 3 358.402 0.293 10 0 FCAEHM Cc1nc[nH]c1C(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2cnc[n-]c2=O)C1 ZINC001291634064 1262570618 /nfs/dbraw/zinc/57/06/18/1262570618.db2.gz QEKXBSCJNOWIPH-ZYHUDNBSSA-N -1 3 358.402 0.742 10 0 FCAEHM Cc1cc(C=O)c([O-])c(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC001295385363 1262764584 /nfs/dbraw/zinc/76/45/84/1262764584.db2.gz TWAAPVMJSQWLRX-INIZCTEOSA-N -1 3 359.426 0.892 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N(C)CCNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001296249391 1262799182 /nfs/dbraw/zinc/79/91/82/1262799182.db2.gz KTSSTKSCWFODTI-QWHCGFSZSA-N -1 3 358.402 0.216 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(C(=O)C3CCN(OC)CC3)CC2)n[n-]1 ZINC001297218129 1262855100 /nfs/dbraw/zinc/85/51/00/1262855100.db2.gz QJKCKYVOMSXPBP-UHFFFAOYSA-N -1 3 365.434 0.961 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(C(=O)C3CCN(OC)CC3)CC2)[n-]1 ZINC001297218129 1262855111 /nfs/dbraw/zinc/85/51/11/1262855111.db2.gz QJKCKYVOMSXPBP-UHFFFAOYSA-N -1 3 365.434 0.961 10 0 FCAEHM O=C(NC/C=C\CNC(=O)[C@]12C[C@H]1COC2)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001298435710 1262927579 /nfs/dbraw/zinc/92/75/79/1262927579.db2.gz ZYTFEYUPLATTOM-JIFJFPPHSA-N -1 3 369.377 0.009 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001298889258 1262948164 /nfs/dbraw/zinc/94/81/64/1262948164.db2.gz MYZZLQKINMDVON-LEWSCRJBSA-N -1 3 355.398 0.924 10 0 FCAEHM CC(C)(C)OC(=O)NC[C@H](O)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC001301761041 1263021350 /nfs/dbraw/zinc/02/13/50/1263021350.db2.gz SAMGQXWSUJKLGK-LBPRGKRZSA-N -1 3 366.418 0.952 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(C(=O)N[C@@H](C)C(OC)OC)CC2)n[n-]1 ZINC001479156730 1263174162 /nfs/dbraw/zinc/17/41/62/1263174162.db2.gz LCRKRVCHUXETNJ-JTQLQIEISA-N -1 3 369.422 0.878 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(C(=O)N[C@@H](C)C(OC)OC)CC2)[n-]1 ZINC001479156730 1263174165 /nfs/dbraw/zinc/17/41/65/1263174165.db2.gz LCRKRVCHUXETNJ-JTQLQIEISA-N -1 3 369.422 0.878 10 0 FCAEHM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@H]1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001479481355 1263216539 /nfs/dbraw/zinc/21/65/39/1263216539.db2.gz GMCVMTCERVWGQY-MBNYWOFBSA-N -1 3 361.450 0.497 10 0 FCAEHM CCOC(=O)[C@H](F)C1CN(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)C1 ZINC001479508979 1263234912 /nfs/dbraw/zinc/23/49/12/1263234912.db2.gz RPBGMWRRUVBISV-BXUZGUMPSA-N -1 3 367.381 0.304 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CCC[C@H](Cn2ccnn2)C1 ZINC001479509664 1263235139 /nfs/dbraw/zinc/23/51/39/1263235139.db2.gz UJLFLEOLMGYYDU-KBPBESRZSA-N -1 3 372.433 0.474 10 0 FCAEHM O=C(Cc1cc(C2CC2)no1)NC[C@H]1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001316653208 1263399166 /nfs/dbraw/zinc/39/91/66/1263399166.db2.gz UYHLRAMNEOYQJL-CMPLNLGQSA-N -1 3 360.418 0.993 10 0 FCAEHM CC(=O)N[C@@](C)(C(=O)NC[C@H]1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1)C(C)C ZINC001316667222 1263408408 /nfs/dbraw/zinc/40/84/08/1263408408.db2.gz RQMPQUABAGGCIG-OGHNNQOOSA-N -1 3 366.466 0.436 10 0 FCAEHM CCN(CCCNC(=O)[C@@H]1C[C@H]1c1cccnc1)Cc1nc(=O)n(C)[n-]1 ZINC001479855159 1263413191 /nfs/dbraw/zinc/41/31/91/1263413191.db2.gz XDEFGDHJCXOPPX-LSDHHAIUSA-N -1 3 358.446 0.635 10 0 FCAEHM C[C@@H]1CCCN(C(=O)Cc2nnc[nH]2)[C@@H]1CCCNCc1n[nH]c(=O)[n-]1 ZINC001316716388 1263435832 /nfs/dbraw/zinc/43/58/32/1263435832.db2.gz HOEZTNBYNIJLSC-VXGBXAGGSA-N -1 3 362.438 0.368 10 0 FCAEHM CC(C)[C@H](CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1)NCc1n[nH]c(=O)[n-]1 ZINC001485435195 1263508061 /nfs/dbraw/zinc/50/80/61/1263508061.db2.gz WRRWHUPCQGIFES-UPJWGTAASA-N -1 3 361.450 1.000 10 0 FCAEHM C[C@@H]1OCCO[C@@H]1C(=O)NC/C=C/CNC(=O)c1cccc2n[n-]nc21 ZINC001501869560 1264147640 /nfs/dbraw/zinc/14/76/40/1264147640.db2.gz IVVUEXPJWIVBEU-RTBIOQKDSA-N -1 3 359.386 0.164 10 0 FCAEHM O=C(NCC1(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1)c1cccc2n[n-]nc21 ZINC001506077661 1264288342 /nfs/dbraw/zinc/28/83/42/1264288342.db2.gz VLTQDINJCNZHII-APVFFNHTSA-N -1 3 367.409 0.760 10 0 FCAEHM O=C(NCCCOCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1cnc[n-]c1=O ZINC001510314723 1264494343 /nfs/dbraw/zinc/49/43/43/1264494343.db2.gz NCJARNFATIQQDL-BZPMIXESSA-N -1 3 364.402 0.002 10 0 FCAEHM CO[C@@H](C)CCC(=O)N1CC[C@H]2CN(C(=O)c3c(C)nc[n-]c3=O)C[C@H]21 ZINC001512796940 1264658919 /nfs/dbraw/zinc/65/89/19/1264658919.db2.gz AEYWCGCSCOSOFW-FPMFFAJLSA-N -1 3 362.430 0.979 10 0 FCAEHM CCCCCC(=O)N[C@@H]1CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C[C@H]1O ZINC001512874221 1264703987 /nfs/dbraw/zinc/70/39/87/1264703987.db2.gz HXSYLIGLDKOKIG-ZIAGYGMSSA-N -1 3 362.430 0.941 10 0 FCAEHM O=C(CCCc1ccccc1)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1O ZINC001513046175 1264885776 /nfs/dbraw/zinc/88/57/76/1264885776.db2.gz AZHIXGOPHSPTTC-HZPDHXFCSA-N -1 3 370.409 0.507 10 0 FCAEHM CC(=O)N[C@H](CC(C)C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn[n-]n1)C2 ZINC001522301007 1266478465 /nfs/dbraw/zinc/47/84/65/1266478465.db2.gz NIVNLUZBRABVGF-BHPKHCPMSA-N -1 3 362.434 0.217 10 0 FCAEHM C[C@H](CNC(=O)C(=O)NCc1ccc([O-])c(F)c1)N1C[C@@H](C)O[C@@H](C)C1 ZINC001333025837 1266526487 /nfs/dbraw/zinc/52/64/87/1266526487.db2.gz QKGQRPZCRIHYPG-UPJWGTAASA-N -1 3 367.421 0.761 10 0 FCAEHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)[C@@H]1CCc2nncn2CC1 ZINC001522937998 1266592573 /nfs/dbraw/zinc/59/25/73/1266592573.db2.gz JOEMRUAEKSEWBF-SECBINFHSA-N -1 3 361.358 0.771 10 0 FCAEHM C[C@H](CNC(=O)c1cc(=O)[n-]c(C2CC2)n1)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001526687072 1266829309 /nfs/dbraw/zinc/82/93/09/1266829309.db2.gz MWVWZPKEDPJKTC-PQLQOZPYSA-N -1 3 372.425 0.718 10 0 FCAEHM C[C@]1(CCNC(=O)C(=O)NCc2nc(C(F)(F)F)n[n-]2)CC1(F)F ZINC001334188038 1266871994 /nfs/dbraw/zinc/87/19/94/1266871994.db2.gz IERIPWRQGKAGJY-JTQLQIEISA-N -1 3 355.267 0.991 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]Cc2nncn2C2CC2)on1 ZINC001334957634 1267247798 /nfs/dbraw/zinc/24/77/98/1267247798.db2.gz OSCZDEOPJSZDNM-UHFFFAOYSA-N -1 3 355.376 0.397 10 0 FCAEHM CCO[N-]C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001540568075 1267453428 /nfs/dbraw/zinc/45/34/28/1267453428.db2.gz MGQGWRCWNGYBFH-IJLUTSLNSA-N -1 3 362.448 0.724 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)CC1(NC(=O)OC(C)(C)C)COC1 ZINC001542941816 1267513793 /nfs/dbraw/zinc/51/37/93/1267513793.db2.gz GOJRERHJIZRNEU-NSHDSACASA-N -1 3 354.407 0.298 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H](C[C@H]1COCCO1)C(F)(F)F ZINC001542942190 1267514101 /nfs/dbraw/zinc/51/41/01/1267514101.db2.gz SOGKLBQVJOSZFZ-AXFHLTTASA-N -1 3 351.325 0.599 10 0 FCAEHM CCNS(=O)(=O)c1ccc(F)c(C(=O)NCCc2c(C)[n-][nH]c2=O)c1 ZINC001542940536 1267514233 /nfs/dbraw/zinc/51/42/33/1267514233.db2.gz WLWCSRDFGQEXQT-NSHDSACASA-N -1 3 370.406 0.366 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCNC(=O)[C@H]2CC(=O)OC)c1 ZINC001543740201 1267558630 /nfs/dbraw/zinc/55/86/30/1267558630.db2.gz LMMFNCFCIKGQNH-GFCCVEGCSA-N -1 3 361.354 0.020 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001338511008 1267966984 /nfs/dbraw/zinc/96/69/84/1267966984.db2.gz HDNHSFCPWDJUFC-HZSPNIEDSA-N -1 3 362.430 0.476 10 0 FCAEHM CN(C[C@@H](O)CNC(=O)c1ccccc1[O-])C(=O)[C@]12CCC[C@H]1OCC2 ZINC001338562798 1267986389 /nfs/dbraw/zinc/98/63/89/1267986389.db2.gz BKMYFKUNFZWAQC-CRFBAAHOSA-N -1 3 362.426 0.901 10 0 FCAEHM CS(=O)(=O)NCCc1ccc(C(=O)NCCCc2c[n-][nH]c2=O)s1 ZINC001557701532 1268967735 /nfs/dbraw/zinc/96/77/35/1268967735.db2.gz JXNOWNHRFBAMMG-SNVBAGLBSA-N -1 3 372.472 0.082 10 0 FCAEHM CS(=O)(=O)c1ccc(Cl)c(C(=O)NCCCc2c[n-][nH]c2=O)c1 ZINC001557701960 1268968409 /nfs/dbraw/zinc/96/84/09/1268968409.db2.gz QLJNBJQPVSRDJN-VIFPVBQESA-N -1 3 357.819 0.985 10 0 FCAEHM CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)NCCCc1c[n-][nH]c1=O ZINC001557701389 1268968745 /nfs/dbraw/zinc/96/87/45/1268968745.db2.gz OCKVLFIXRTZTNQ-PBHICJAKSA-N -1 3 374.441 0.834 10 0 FCAEHM O=C(CNS(=O)(=O)c1cccs1)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001558312180 1269064663 /nfs/dbraw/zinc/06/46/63/1269064663.db2.gz YFAYVGXDYQXQDN-UHFFFAOYSA-N -1 3 368.440 0.716 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCCN(CC(=O)NC)CC2)c1 ZINC001558460695 1269097185 /nfs/dbraw/zinc/09/71/85/1269097185.db2.gz VKRJBARGDCKQRK-UHFFFAOYSA-N -1 3 360.414 0.411 10 0 FCAEHM C/C(=C\C(=O)N(C)CCc1nc([O-])c(C)c(=O)[nH]1)CN1CCOCC1 ZINC001558532286 1269105974 /nfs/dbraw/zinc/10/59/74/1269105974.db2.gz JZCPSQFMYCRVIO-ZRDIBKRKSA-N -1 3 350.419 0.476 10 0 FCAEHM CC(C)OC(=O)c1cc(NC(=O)[C@@H]2C[C@@H](O)CN2c2ccncn2)[n-]n1 ZINC001558560027 1269113830 /nfs/dbraw/zinc/11/38/30/1269113830.db2.gz OHOJMWKTIYAQBD-PWSUYJOCSA-N -1 3 360.374 0.343 10 0 FCAEHM CC(C)OC(=O)c1cc(NC(=O)[C@@H]2C[C@@H](O)CN2c2ccncn2)n[n-]1 ZINC001558560027 1269113836 /nfs/dbraw/zinc/11/38/36/1269113836.db2.gz OHOJMWKTIYAQBD-PWSUYJOCSA-N -1 3 360.374 0.343 10 0 FCAEHM CCS(=O)(=O)N[C@H](C)C(=O)Nc1cc(C(=O)OC)cc(OC)c1[O-] ZINC001558677841 1269129715 /nfs/dbraw/zinc/12/97/15/1269129715.db2.gz FVCJGIZWYWQMLC-MRVPVSSYSA-N -1 3 360.388 0.454 10 0 FCAEHM O=C(N[C@H](CO)C(F)(F)F)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001558679508 1269129729 /nfs/dbraw/zinc/12/97/29/1269129729.db2.gz QQGGRNWOGFGJIJ-SNVBAGLBSA-N -1 3 361.251 0.527 10 0 FCAEHM O=C(N[C@H](CO)C(F)(F)F)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001558679508 1269129732 /nfs/dbraw/zinc/12/97/32/1269129732.db2.gz QQGGRNWOGFGJIJ-SNVBAGLBSA-N -1 3 361.251 0.527 10 0 FCAEHM COC(=O)c1cc(NC(=O)C2(CS(C)(=O)=O)COC2)c([O-])c(OC)c1 ZINC001558677830 1269129789 /nfs/dbraw/zinc/12/97/89/1269129789.db2.gz FPKVOTBBTLYXSB-UHFFFAOYSA-N -1 3 373.383 0.187 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CC3(C2)CC(=O)Nc2nccn23)c1 ZINC001558684375 1269131078 /nfs/dbraw/zinc/13/10/78/1269131078.db2.gz GDDJRKUDZWRUFU-UHFFFAOYSA-N -1 3 367.365 0.907 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1NC(=O)CCC1CCOCC1 ZINC001342170367 1269380518 /nfs/dbraw/zinc/38/05/18/1269380518.db2.gz JSXZYFYJAOYLFJ-IUODEOHRSA-N -1 3 362.430 0.966 10 0 FCAEHM CC(C)(CNC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)CS(C)(=O)=O ZINC001565331973 1269463981 /nfs/dbraw/zinc/46/39/81/1269463981.db2.gz ZVDRLYFYLDHMBW-NSHDSACASA-N -1 3 371.463 0.131 10 0 FCAEHM COc1ccc(S(=O)(=O)CCC(=O)NCCc2c(C)[n-][nH]c2=O)cc1 ZINC001565611443 1269481818 /nfs/dbraw/zinc/48/18/18/1269481818.db2.gz FTKVNKCQUVGWLM-AWEZNQCLSA-N -1 3 367.427 0.487 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)CCN1C/C=C/Cl ZINC001566024324 1269561868 /nfs/dbraw/zinc/56/18/68/1269561868.db2.gz ZWSGYLRSAKPMKD-SLEPRMHMSA-N -1 3 354.838 0.648 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)c2ccccc2[O-])CCN1CC(=O)NC(=O)NC1CC1 ZINC001566080288 1269593190 /nfs/dbraw/zinc/59/31/90/1269593190.db2.gz VXIOTFUEZGWRTN-RISCZKNCSA-N -1 3 360.414 0.573 10 0 FCAEHM COc1nnc(NC(=O)c2ccc(Br)cc2-n2cnnn2)[n-]1 ZINC001566428278 1269642762 /nfs/dbraw/zinc/64/27/62/1269642762.db2.gz TZKMMIABDGUZGR-UHFFFAOYSA-N -1 3 365.151 0.804 10 0 FCAEHM COc1nc(NC(=O)c2ccc(Br)cc2-n2cnnn2)n[n-]1 ZINC001566428278 1269642771 /nfs/dbraw/zinc/64/27/71/1269642771.db2.gz TZKMMIABDGUZGR-UHFFFAOYSA-N -1 3 365.151 0.804 10 0 FCAEHM COc1n[n-]c(NC(=O)c2ccc(Br)cc2-n2cnnn2)n1 ZINC001566428278 1269642780 /nfs/dbraw/zinc/64/27/80/1269642780.db2.gz TZKMMIABDGUZGR-UHFFFAOYSA-N -1 3 365.151 0.804 10 0 FCAEHM CO[C@@H]1CN(C(=O)C2(CCF)CC2)C[C@H]1NC(=O)c1c(C)nc[n-]c1=O ZINC001343050389 1269747088 /nfs/dbraw/zinc/74/70/88/1269747088.db2.gz IDPVPSUEOHFHEN-VXGBXAGGSA-N -1 3 366.393 0.586 10 0 FCAEHM COc1cccc([C@@H]2C[C@H]2C(=O)NC/C=C/CNCc2nc(=O)n(C)[n-]2)c1 ZINC001568932104 1269754885 /nfs/dbraw/zinc/75/48/85/1269754885.db2.gz NSTHAAYTVMROFW-MEGKRXCUSA-N -1 3 371.441 0.683 10 0 FCAEHM O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001570109088 1269842130 /nfs/dbraw/zinc/84/21/30/1269842130.db2.gz NJQYQAGEJVPBRI-OKILXGFUSA-N -1 3 366.381 0.680 10 0 FCAEHM O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001570109088 1269842147 /nfs/dbraw/zinc/84/21/47/1269842147.db2.gz NJQYQAGEJVPBRI-OKILXGFUSA-N -1 3 366.381 0.680 10 0 FCAEHM CC[C@H](CC(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@@H]1O)C(C)C ZINC001343600480 1269957889 /nfs/dbraw/zinc/95/78/89/1269957889.db2.gz AQDXNICTTOCFJH-MCIONIFRSA-N -1 3 364.446 0.864 10 0 FCAEHM CC(C)CO[C@H](C)C(=O)N1C[C@H]2CCN(C(=O)c3cnc[n-]c3=O)C[C@H]21 ZINC001343803640 1270016233 /nfs/dbraw/zinc/01/62/33/1270016233.db2.gz FBOLMFHHTVKPRB-UMVBOHGHSA-N -1 3 362.430 0.916 10 0 FCAEHM O=C(Cc1cc(C2CC2)no1)NC[C@H]1CC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC001344282417 1270130250 /nfs/dbraw/zinc/13/02/50/1270130250.db2.gz JYRBSQCCTZMXFW-CMPLNLGQSA-N -1 3 358.402 0.928 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@@H](C)OC)n1 ZINC001344650617 1270217835 /nfs/dbraw/zinc/21/78/35/1270217835.db2.gz VQOUVMFONFSARM-HFAKWTLXSA-N -1 3 366.418 0.265 10 0 FCAEHM c1csc(Cn2c(Cc3nnn[n-]3)nnc2N2CCN(C3CC3)CC2)c1 ZINC001344653949 1270218837 /nfs/dbraw/zinc/21/88/37/1270218837.db2.gz JVPQLEGAVCOLGP-UHFFFAOYSA-N -1 3 371.474 0.776 10 0 FCAEHM CC(C)(C)OCC(=O)N1C[C@H]2CCN(C(=O)c3cnc[n-]c3=O)C[C@H]2C1 ZINC001345034623 1270307182 /nfs/dbraw/zinc/30/71/82/1270307182.db2.gz LXEFRZAJFQNTLH-OLZOCXBDSA-N -1 3 362.430 0.918 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@@H]1CN(C(=O)/C=C\C2CC2)C[C@@H]1O ZINC001573012426 1270501286 /nfs/dbraw/zinc/50/12/86/1270501286.db2.gz WTUSISRCXZYBDV-JBLNNTITSA-N -1 3 360.414 0.077 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H](O)C(C)C ZINC001573085174 1270601622 /nfs/dbraw/zinc/60/16/22/1270601622.db2.gz OFEFJHCISNJACF-YRGRVCCFSA-N -1 3 350.419 0.665 10 0 FCAEHM Cn1cc(CC(=O)NC[C@H]2CC[C@@H](NC(=O)c3cnc[n-]c3=O)C2)cn1 ZINC001573163693 1270624603 /nfs/dbraw/zinc/62/46/03/1270624603.db2.gz SRPRWXCZZOLKFP-WCQYABFASA-N -1 3 358.402 0.173 10 0 FCAEHM O=C(Cc1cnoc1)NCc1nc(CNC(=O)[C@]23C[C@H]2CCC3)cc(=O)[n-]1 ZINC001573250383 1270709987 /nfs/dbraw/zinc/70/99/87/1270709987.db2.gz YHVNGZZDYPPUMT-KZULUSFZSA-N -1 3 371.397 0.836 10 0 FCAEHM C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@H](NC(=O)c2ccccc2[O-])[C@H]1C ZINC001573440592 1270777492 /nfs/dbraw/zinc/77/74/92/1270777492.db2.gz YCMQABQBZOSCPO-WZRBSPASSA-N -1 3 369.443 0.049 10 0 FCAEHM CC[C@H](C(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2[nH]nc(C)c2[O-])C1)N(C)C ZINC001573967903 1270963836 /nfs/dbraw/zinc/96/38/36/1270963836.db2.gz FIGJFLSDDYSEIV-MRVWCRGKSA-N -1 3 365.478 0.978 10 0 FCAEHM C[C@@H](NC(=O)c1ccoc1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn[n-]n1)C2 ZINC001574294944 1271170784 /nfs/dbraw/zinc/17/07/84/1271170784.db2.gz LYDOWWVCCUQDIE-WUWHUORYSA-N -1 3 372.385 0.078 10 0 FCAEHM Cc1[nH]nc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H](C(C)C)N(C)C)C3)c1[O-] ZINC001574544129 1271328558 /nfs/dbraw/zinc/32/85/58/1271328558.db2.gz YUXUEFYUYQOZSI-CXTNEJHOSA-N -1 3 363.462 0.872 10 0 FCAEHM Cn1[n-]c(CN(CCCNC(=O)[C@]23CCC[C@H]2OCC3)C2CC2)nc1=O ZINC001713768300 1287297899 /nfs/dbraw/zinc/29/78/99/1287297899.db2.gz BBWXYZWTQDLJTN-KDOFPFPSSA-N -1 3 363.462 0.538 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)NCCCN(Cc1nc(=O)n(C)[n-]1)C(C)C ZINC001714824130 1287334478 /nfs/dbraw/zinc/33/44/78/1287334478.db2.gz HGWLMTCECVBSBS-KGLIPLIRSA-N -1 3 353.467 0.640 10 0 FCAEHM CC(C)C[C@H](CNCc1nc(=O)n(C)[n-]1)NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001714920638 1287338971 /nfs/dbraw/zinc/33/89/71/1287338971.db2.gz ATNDYCSQFOSKNR-KNCOVGOOSA-N -1 3 365.478 0.544 10 0 FCAEHM O=C(C[C@@H]1CCCS(=O)(=O)C1)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001603292542 1287348231 /nfs/dbraw/zinc/34/82/31/1287348231.db2.gz QWPUHTPRQUPDOF-NWDGAFQWSA-N -1 3 354.432 0.092 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cn(Cc2ccccc2)nn1 ZINC001603292140 1287348272 /nfs/dbraw/zinc/34/82/72/1287348272.db2.gz NCWMJDAULCRKFK-AWEZNQCLSA-N -1 3 365.397 0.831 10 0 FCAEHM Cn1[n-]c(CNC/C=C/CNC(=O)[C@@H]2C[C@]2(C)c2ccccc2)nc1=O ZINC001715852271 1287362934 /nfs/dbraw/zinc/36/29/34/1287362934.db2.gz PVXINVUWBLBEEA-RYUWCBOHSA-N -1 3 355.442 0.848 10 0 FCAEHM COc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@H](C)CNCc1nc(=O)n(C)[n-]1 ZINC001715951841 1287366432 /nfs/dbraw/zinc/36/64/32/1287366432.db2.gz MNUFLLGMGZOUNI-KWCYVHTRSA-N -1 3 359.430 0.515 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)C[C@H](O)c2cccnc2)ccc1F ZINC001603621869 1287447518 /nfs/dbraw/zinc/44/75/18/1287447518.db2.gz RUGWXNGCDHBGLV-AWEZNQCLSA-N -1 3 367.402 0.934 10 0 FCAEHM COCCS(=O)(=O)CC(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001603628945 1287450227 /nfs/dbraw/zinc/45/02/27/1287450227.db2.gz VHUVCSBBLVWBLP-HAQNSBGRSA-N -1 3 357.432 0.386 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N(C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001718577004 1287522192 /nfs/dbraw/zinc/52/21/92/1287522192.db2.gz CYUGJLSLKAJMNY-YUSALJHKSA-N -1 3 358.402 0.594 10 0 FCAEHM O=C(c1cc(N2CCNC(=O)C2)ccn1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001631826038 1282115959 /nfs/dbraw/zinc/11/59/59/1282115959.db2.gz LDEZXWGBBFIGAT-LLVKDONJSA-N -1 3 356.386 0.076 10 0 FCAEHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC001631839686 1282121492 /nfs/dbraw/zinc/12/14/92/1282121492.db2.gz XJQSFIHPSQTYSB-SNVBAGLBSA-N -1 3 359.411 0.531 10 0 FCAEHM COC(=O)[C@H](C[C@H]1CCCO1)NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC001584196698 1282143237 /nfs/dbraw/zinc/14/32/37/1282143237.db2.gz JDCHUPXARKYXLR-OCCSQVGLSA-N -1 3 351.403 0.959 10 0 FCAEHM CN(C[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C(=O)c1ccccc1[O-] ZINC001718749105 1287553832 /nfs/dbraw/zinc/55/38/32/1287553832.db2.gz CNIRNYUBXKEBQC-MRVWCRGKSA-N -1 3 358.398 0.468 10 0 FCAEHM Cc1noc(CCCNC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])n1 ZINC001632406258 1282173736 /nfs/dbraw/zinc/17/37/36/1282173736.db2.gz RPWZGGONNPVFPH-UHFFFAOYSA-N -1 3 373.344 0.928 10 0 FCAEHM Cc1noc(CCCNC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)n1 ZINC001632406258 1282173742 /nfs/dbraw/zinc/17/37/42/1282173742.db2.gz RPWZGGONNPVFPH-UHFFFAOYSA-N -1 3 373.344 0.928 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)CN1C(=O)COc2ccc(Cl)cc21 ZINC001632758340 1282204257 /nfs/dbraw/zinc/20/42/57/1282204257.db2.gz IHSFNRCMFTZVBO-NSHDSACASA-N -1 3 364.789 0.694 10 0 FCAEHM Cn1cnnc1[C@@H](CO)[N-]C(=O)C(F)(F)n1cc(-c2ccccc2)nn1 ZINC001585236973 1282216538 /nfs/dbraw/zinc/21/65/38/1282216538.db2.gz KBUKZSFSVSFXEU-GFCCVEGCSA-N -1 3 363.328 0.473 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)NC[C@H]1C[C@H](O)C1 ZINC001633445572 1282244986 /nfs/dbraw/zinc/24/49/86/1282244986.db2.gz IORAOZLRYNQWOK-KYZUINATSA-N -1 3 367.880 0.750 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F ZINC001585938160 1282258153 /nfs/dbraw/zinc/25/81/53/1282258153.db2.gz UDIOVKWACVZCOH-UWVGGRQHSA-N -1 3 364.324 0.778 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F ZINC001585938164 1282258448 /nfs/dbraw/zinc/25/84/48/1282258448.db2.gz UDIOVKWACVZCOH-ZJUUUORDSA-N -1 3 364.324 0.778 10 0 FCAEHM C[C@H](C(=O)NCCCc1c[n-][nH]c1=O)c1ccc(S(C)(=O)=O)cc1 ZINC001585937750 1282258513 /nfs/dbraw/zinc/25/85/13/1282258513.db2.gz ODGDRPNWALZLEL-WCQYABFASA-N -1 3 351.428 0.822 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCCC[C@H]2CCOC2=O)ccc1F ZINC001633876106 1282281096 /nfs/dbraw/zinc/28/10/96/1282281096.db2.gz CELBVYKIWMLFAQ-JTQLQIEISA-N -1 3 358.391 0.807 10 0 FCAEHM CC1(C)OC[C@@H]([C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)cn3)CCO2)O1 ZINC001633913074 1282284146 /nfs/dbraw/zinc/28/41/46/1282284146.db2.gz JFQOYALSFQGLPN-STQMWFEESA-N -1 3 360.374 0.254 10 0 FCAEHM CC1(C)OC[C@@H]([C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)cn3)CCO2)O1 ZINC001633913074 1282284155 /nfs/dbraw/zinc/28/41/55/1282284155.db2.gz JFQOYALSFQGLPN-STQMWFEESA-N -1 3 360.374 0.254 10 0 FCAEHM CS(=O)(=O)c1ccc(Cl)c(C(=O)NCCCc2c[n-][nH]c2=O)n1 ZINC001634143090 1282303690 /nfs/dbraw/zinc/30/36/90/1282303690.db2.gz DQOYSKXSMHQJEY-MRVPVSSYSA-N -1 3 358.807 0.380 10 0 FCAEHM CC(C)CNC(=O)N1CCC[C@H](C(=O)NCCCc2c[n-][nH]c2=O)C1 ZINC001634143462 1282304295 /nfs/dbraw/zinc/30/42/95/1282304295.db2.gz JTTLKXNICOIKMK-KGLIPLIRSA-N -1 3 351.451 0.692 10 0 FCAEHM COc1ncc(C=CC(=O)N[C@@H]2CCN(c3nc(C)cc(=O)[n-]3)C2)cn1 ZINC001634682498 1282345570 /nfs/dbraw/zinc/34/55/70/1282345570.db2.gz ADYOGQWHOZBHIA-ITDFMYJTSA-N -1 3 356.386 0.698 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2CS(=O)(=O)NC)c1 ZINC001634691055 1282347963 /nfs/dbraw/zinc/34/79/63/1282347963.db2.gz QGKOYJXCSWGVFY-LBPRGKRZSA-N -1 3 367.427 0.671 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2nnc3n2CCNC3=O)c1 ZINC001634697197 1282348542 /nfs/dbraw/zinc/34/85/42/1282348542.db2.gz XFECMVKQDNQTPZ-UHFFFAOYSA-N -1 3 370.369 0.124 10 0 FCAEHM CCCCS(=O)(=O)CC(=O)N1CCN(c2nc(C)cc(=O)[n-]2)CC1 ZINC001634978402 1282369058 /nfs/dbraw/zinc/36/90/58/1282369058.db2.gz YLBNMPDXBYCASI-UHFFFAOYSA-N -1 3 356.448 0.354 10 0 FCAEHM Cc1cnc2nc(C(=O)N3CCN(c4nc(C)cc(=O)[n-]4)CC3)nn2c1 ZINC001634977724 1282369092 /nfs/dbraw/zinc/36/90/92/1282369092.db2.gz KEEZHMSXWRCWKQ-UHFFFAOYSA-N -1 3 354.374 0.199 10 0 FCAEHM CC1(C)OC[C@H](CNC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])O1 ZINC001587844755 1282382511 /nfs/dbraw/zinc/38/25/11/1282382511.db2.gz PRDIYTZFKCKZJD-LBPRGKRZSA-N -1 3 363.345 0.755 10 0 FCAEHM CC1(C)OC[C@H](CNC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)O1 ZINC001587844755 1282382525 /nfs/dbraw/zinc/38/25/25/1282382525.db2.gz PRDIYTZFKCKZJD-LBPRGKRZSA-N -1 3 363.345 0.755 10 0 FCAEHM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1cc(CN2CCCC2)on1 ZINC001588032924 1282399102 /nfs/dbraw/zinc/39/91/02/1282399102.db2.gz MKPYNIFSSVTMEG-UHFFFAOYSA-N -1 3 359.386 0.769 10 0 FCAEHM O=C(c1nc[n-]c(=O)c1Br)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC001635982216 1282449140 /nfs/dbraw/zinc/44/91/40/1282449140.db2.gz RKFMHPWFVWVDFM-IUCAKERBSA-N -1 3 357.208 0.226 10 0 FCAEHM CC(=O)Nc1ccc([O-])c(C(=O)NCCS(=O)(=O)N2CCCC2)c1 ZINC001636212127 1282471522 /nfs/dbraw/zinc/47/15/22/1282471522.db2.gz QMEDZZFMIPONHW-UHFFFAOYSA-N -1 3 355.416 0.506 10 0 FCAEHM O=C(CCC1CCCC1)NCC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001636854494 1282542214 /nfs/dbraw/zinc/54/22/14/1282542214.db2.gz CDRBPGLFZTWGIV-AWEZNQCLSA-N -1 3 361.446 0.964 10 0 FCAEHM O=C(C=CC(=O)Nc1ccc2n[nH]cc2c1)NCCCc1cc(=O)[nH][n-]1 ZINC001637041387 1282553465 /nfs/dbraw/zinc/55/34/65/1282553465.db2.gz KYGFQVGPIYXBTB-AATRIKPKSA-N -1 3 354.370 0.830 10 0 FCAEHM O=C(CN1CCCS1(=O)=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001637040802 1282553630 /nfs/dbraw/zinc/55/36/30/1282553630.db2.gz GTFBQIQPZILZOF-HAQNSBGRSA-N -1 3 354.432 0.360 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)C[C@@H]3CCCS3(=O)=O)cc2n(C)c1=O ZINC001637052966 1282554125 /nfs/dbraw/zinc/55/41/25/1282554125.db2.gz JIGXTWGUWKNSQW-VIFPVBQESA-N -1 3 353.400 0.488 10 0 FCAEHM CCOC(=O)N1C[C@@H](CO)[C@H](NC(=O)c2cc(OC)c([O-])c(OC)c2)C1 ZINC001637076382 1282560750 /nfs/dbraw/zinc/56/07/50/1282560750.db2.gz IFFCUDKJUWVZPW-NWDGAFQWSA-N -1 3 368.386 0.588 10 0 FCAEHM COc1cc(OC)nc(C(=O)N2CCN(c3nc(C)cc(=O)[n-]3)CC2)n1 ZINC001638493689 1282702847 /nfs/dbraw/zinc/70/28/47/1282702847.db2.gz XSWBHCUFIAUKTJ-UHFFFAOYSA-N -1 3 360.374 0.260 10 0 FCAEHM Cn1ccc(NC(O)=C([O-])[C@@](O)(c2ccccc2)C(F)(F)F)nc1=O ZINC001639577169 1282796097 /nfs/dbraw/zinc/79/60/97/1282796097.db2.gz ONYUWOJYZDQTCI-RISCZKNCSA-N -1 3 357.288 0.364 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCCS(=O)(=O)N2CCCC2)c1 ZINC001639576116 1282796114 /nfs/dbraw/zinc/79/61/14/1282796114.db2.gz XOXDLZSLRPEVNV-UHFFFAOYSA-N -1 3 367.427 0.672 10 0 FCAEHM CC(C)n1cnnc1SCC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001640104521 1282837431 /nfs/dbraw/zinc/83/74/31/1282837431.db2.gz GDCJCOSOFHHLOE-LLVKDONJSA-N -1 3 363.447 0.842 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)C1(O)COC1 ZINC001640361934 1282857728 /nfs/dbraw/zinc/85/77/28/1282857728.db2.gz CMDCDLYBLROQQA-UHFFFAOYSA-N -1 3 369.226 0.149 10 0 FCAEHM C[C@H]1C(=O)N([N-]C(=O)c2cccc(S(=O)(=O)NC3CC3)c2)C(=O)N1C ZINC001640914427 1282913704 /nfs/dbraw/zinc/91/37/04/1282913704.db2.gz POIOHBXQAUWGDR-VIFPVBQESA-N -1 3 366.399 0.055 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)Cn2ccc3ccccc3c2=O)[n-]1 ZINC001641467602 1282954148 /nfs/dbraw/zinc/95/41/48/1282954148.db2.gz DTYHXDLUJLUMRZ-UHFFFAOYSA-N -1 3 355.354 0.613 10 0 FCAEHM C[C@H]1C(=O)N([N-]C(=O)c2ccc(S(=O)(=O)C3CC3)cc2)C(=O)N1C ZINC001641849774 1282976514 /nfs/dbraw/zinc/97/65/14/1282976514.db2.gz UPTKPYLPDNHDLI-VIFPVBQESA-N -1 3 351.384 0.550 10 0 FCAEHM CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NCCCc1c[n-][nH]c1=O ZINC001642444985 1283011661 /nfs/dbraw/zinc/01/16/61/1283011661.db2.gz DUWPOBAZKCGYFW-QWHCGFSZSA-N -1 3 358.464 0.209 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC3(C2)CN(C)C(=O)O3)ccc1F ZINC001643037328 1283056164 /nfs/dbraw/zinc/05/61/64/1283056164.db2.gz LZJDILUKSJWUTA-UHFFFAOYSA-N -1 3 357.363 0.010 10 0 FCAEHM CN(C[C@H](O)CNC(=O)c1ccccc1[O-])C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001680835418 1283453054 /nfs/dbraw/zinc/45/30/54/1283453054.db2.gz UEMLRESIRGHSJV-UNEWFSDZSA-N -1 3 362.426 0.756 10 0 FCAEHM COCCC1(C(=O)N2C[C@@H]3CCN(C(=O)c4cnc[n-]c4=O)[C@@H]3C2)CC1 ZINC001682241798 1283543130 /nfs/dbraw/zinc/54/31/30/1283543130.db2.gz UKTJXBQLEMVOAU-GXTWGEPZSA-N -1 3 360.414 0.672 10 0 FCAEHM CCO[C@H](C(=O)N1C[C@@H]2CCN(C(=O)c3cnc[n-]c3=O)[C@@H]2C1)C(C)C ZINC001682241175 1283543595 /nfs/dbraw/zinc/54/35/95/1283543595.db2.gz AZBFQPQQJXVFOF-CFVMTHIKSA-N -1 3 362.430 0.916 10 0 FCAEHM CC[C@@H](C)OCC(=O)N1C[C@@H]2CCN(C(=O)c3c(C)nc[n-]c3=O)[C@@H]2C1 ZINC001682282472 1283555224 /nfs/dbraw/zinc/55/52/24/1283555224.db2.gz XFCLQTBMZOTEPY-KWCYVHTRSA-N -1 3 362.430 0.979 10 0 FCAEHM CC[C@H](C)C(=O)N[C@@H]1CN(C(=O)CCc2c(C)nc[n-]c2=O)C[C@H]1O ZINC001682335203 1283570365 /nfs/dbraw/zinc/57/03/65/1283570365.db2.gz PFZSWPNKTWTSMC-ZLKJLUDKSA-N -1 3 350.419 0.157 10 0 FCAEHM CC(C)[C@@H](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC001682459370 1283602643 /nfs/dbraw/zinc/60/26/43/1283602643.db2.gz WSZDSSNOGAOACF-NILFDRSVSA-N -1 3 359.430 0.942 10 0 FCAEHM CC[C@H](OC)C(=O)N[C@@H]1CN(C(=O)CCc2c(C)nc[n-]c2=O)C[C@H]1C ZINC001682785527 1283774551 /nfs/dbraw/zinc/77/45/51/1283774551.db2.gz NMPXPROIFIKWSW-DFBGVHRSSA-N -1 3 364.446 0.811 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1NC(=O)CCN1CCCC1=O ZINC001682874062 1283794853 /nfs/dbraw/zinc/79/48/53/1283794853.db2.gz BUVSRAJYUCANCU-UKRRQHHQSA-N -1 3 359.426 0.981 10 0 FCAEHM CC[C@@H](C)OCC(=O)N1C[C@@H](C)[C@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001683040622 1283845554 /nfs/dbraw/zinc/84/55/54/1283845554.db2.gz JWUMUOVCFVAACU-NQBHXWOUSA-N -1 3 350.419 0.882 10 0 FCAEHM O=C(NCC[C@H]1CCCS1(=O)=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001683742819 1284103007 /nfs/dbraw/zinc/10/30/07/1284103007.db2.gz YZQDNHVGBWSQKD-VXGBXAGGSA-N -1 3 369.447 0.027 10 0 FCAEHM CC/C(C)=C\C(=O)N[C@@H]1CN(C(=O)c2nnc3ccccc3c2[O-])C[C@H]1O ZINC001719094184 1287708533 /nfs/dbraw/zinc/70/85/33/1287708533.db2.gz MYWPYQLRLACDFV-TYJMOYENSA-N -1 3 370.409 0.993 10 0 FCAEHM O=C(Cc1cc[nH]n1)NC[C@H]1CC[C@@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC001702522761 1285696866 /nfs/dbraw/zinc/69/68/66/1285696866.db2.gz DYSVWVMVTVBNAW-NWDGAFQWSA-N -1 3 367.413 0.938 10 0 FCAEHM Cc1ccn([C@H](C)CC(=O)NC[C@H]2CC[C@@H](NC(=O)c3cn[n-]n3)C2)n1 ZINC001702546402 1285717765 /nfs/dbraw/zinc/71/77/65/1285717765.db2.gz FATAPOMWYOZJDY-HZSPNIEDSA-N -1 3 359.434 0.976 10 0 FCAEHM COCC[C@H](C)C(=O)N1C[C@@H](CNC(=O)c2c(C)nc[n-]c2=O)[C@H](C)C1 ZINC001702814794 1285907447 /nfs/dbraw/zinc/90/74/47/1285907447.db2.gz BRQLLJYHPRZWJJ-OUCADQQQSA-N -1 3 364.446 0.988 10 0 FCAEHM C[C@]1(CCC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cn[n-]n2)C3)CCC(=O)N1 ZINC001702928315 1286004230 /nfs/dbraw/zinc/00/42/30/1286004230.db2.gz LUJWKUBALBGKEW-JJTUWOBKSA-N -1 3 360.418 0.115 10 0 FCAEHM COCCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c(C)nc[n-]c1=O)C2 ZINC001702929726 1286006542 /nfs/dbraw/zinc/00/65/42/1286006542.db2.gz SZIMNKGRISDEHJ-SNPRPXQTSA-N -1 3 362.430 0.708 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NCCCNC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001703401733 1286105151 /nfs/dbraw/zinc/10/51/51/1286105151.db2.gz KJKRPPOSPBOVEI-UONOGXRCSA-N -1 3 355.398 0.925 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NCCN(C)C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001704242831 1286205169 /nfs/dbraw/zinc/20/51/69/1286205169.db2.gz PUPRDGJSHRJPFN-UONOGXRCSA-N -1 3 355.398 0.878 10 0 FCAEHM CCCN(CCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C(=O)c1cnc[n-]c1=O ZINC001704388355 1286240252 /nfs/dbraw/zinc/24/02/52/1286240252.db2.gz YEKYOLWRRBQAHE-NEPJUHHUSA-N -1 3 363.418 0.052 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CC[C@H](NC(=O)c3coc(S(C)(=O)=O)c3)C2)n1 ZINC001595968200 1286276412 /nfs/dbraw/zinc/27/64/12/1286276412.db2.gz FUGXEEWCXQYYQE-NSHDSACASA-N -1 3 366.399 0.496 10 0 FCAEHM CN(C)Cc1csc(CNC(=O)c2ccc(-n3[n-]c(=O)[nH]c3=O)cc2)n1 ZINC001596416897 1286299437 /nfs/dbraw/zinc/29/94/37/1286299437.db2.gz FJMRPDCHQKNAPU-UHFFFAOYSA-N -1 3 374.426 0.714 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC(NC3COC3)C2)ccc1F ZINC001598275081 1286384390 /nfs/dbraw/zinc/38/43/90/1286384390.db2.gz XXWLLUKKBSCSFD-UHFFFAOYSA-N -1 3 371.434 0.325 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)CC(C)(C)C)C[C@@H]1O ZINC001735951672 1289077783 /nfs/dbraw/zinc/07/77/83/1289077783.db2.gz OVFNYHIZINEKKZ-UHTWSYAYSA-N -1 3 364.446 0.864 10 0 FCAEHM C[C@]1(c2ccccc2)C[C@H]1C(=O)NCc1nc(CNCC(N)=O)cc(=O)[n-]1 ZINC001707178240 1286491254 /nfs/dbraw/zinc/49/12/54/1286491254.db2.gz JHSDLYJIDORAOU-IFXJQAMLSA-N -1 3 369.425 0.351 10 0 FCAEHM CNC(=O)CNCc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)n1 ZINC001707177414 1286491492 /nfs/dbraw/zinc/49/14/92/1286491492.db2.gz BPSRCJSDLJLXRJ-FPMFFAJLSA-N -1 3 361.446 0.460 10 0 FCAEHM C[C@@H](CC(N)=O)C(=O)N[C@H]1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)[C@@H]1C ZINC001707256498 1287106611 /nfs/dbraw/zinc/10/66/11/1287106611.db2.gz XDEXZCWJYYAUNY-WDMOLILDSA-N -1 3 361.446 0.650 10 0 FCAEHM CCOCCOCC(=O)N1C[C@@H](NC(=O)c2ccccc2[O-])[C@H](OC)C1 ZINC001719214280 1287876278 /nfs/dbraw/zinc/87/62/78/1287876278.db2.gz DOFRLCTTWAYTPQ-GDBMZVCRSA-N -1 3 366.414 0.401 10 0 FCAEHM CO[C@@H]1CN(C(=O)CC(C)(C)C(F)(F)F)C[C@H]1NC(=O)c1cn[n-]n1 ZINC001719235797 1287919440 /nfs/dbraw/zinc/91/94/40/1287919440.db2.gz PPNIRAGGUBZOEY-NXEZZACHSA-N -1 3 363.340 0.739 10 0 FCAEHM O=C(N[C@@H]1CC[C@H](CNC(=O)C2(c3ccccn3)CC2)C1)c1cn[n-]n1 ZINC001736101361 1289145461 /nfs/dbraw/zinc/14/54/61/1289145461.db2.gz BCPMOYVHAQCDRA-QWHCGFSZSA-N -1 3 354.414 0.946 10 0 FCAEHM CCNC(=O)CCC(=O)N[C@@H]1CC[C@H](CNC(=O)c2cnc[n-]c2=O)C1 ZINC001719456120 1288124626 /nfs/dbraw/zinc/12/46/26/1288124626.db2.gz WKNQELKORSRUNZ-NWDGAFQWSA-N -1 3 363.418 0.113 10 0 FCAEHM O=C(CO[C@@H]1CCOC1)N[C@@H]1CC[C@H](CNC(=O)c2cnc[n-]c2=O)C1 ZINC001719455573 1288125069 /nfs/dbraw/zinc/12/50/69/1288125069.db2.gz ACVVWPDAIOCKPM-YNEHKIRRSA-N -1 3 364.402 0.002 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)CCn2cccn2)CCN1C(=O)c1cnc[n-]c1=O ZINC001719533284 1288168299 /nfs/dbraw/zinc/16/82/99/1288168299.db2.gz GRZMENXMNPNISS-UONOGXRCSA-N -1 3 358.402 0.578 10 0 FCAEHM C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@](C)(NC(=O)c1cnc[n-]c1=O)C1CC1 ZINC001721540013 1288348062 /nfs/dbraw/zinc/34/80/62/1288348062.db2.gz XVOVSIWENXHXGF-SIMVJXQJSA-N -1 3 364.402 0.001 10 0 FCAEHM COCCCS(=O)(=O)[N-]CC(=O)N=[S@@](C)(=O)c1cccc(F)c1 ZINC001607007222 1288587364 /nfs/dbraw/zinc/58/73/64/1288587364.db2.gz WUBBHYYSLQDYGT-QFIPXVFZSA-N -1 3 366.436 0.765 10 0 FCAEHM COCCCC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)c2cn[n-]n2)CC1 ZINC001734644286 1288666179 /nfs/dbraw/zinc/66/61/79/1288666179.db2.gz URJHYPFIOQOBAQ-CJNGLKHVSA-N -1 3 365.434 0.357 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@H](O)CN(C)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001735408355 1288729980 /nfs/dbraw/zinc/72/99/80/1288729980.db2.gz OHMOOHAGZZVRHO-CBBWQLFWSA-N -1 3 374.441 0.642 10 0 FCAEHM CO[C@@H]1CN(C(=O)CCC(C)C)C[C@H]1NC(=O)c1c(C)nc[n-]c1=O ZINC001735892481 1288997800 /nfs/dbraw/zinc/99/78/00/1288997800.db2.gz YTBVAMDKQGKFKA-CHWSQXEVSA-N -1 3 350.419 0.882 10 0 FCAEHM O=C(C=CC1CC1)NCc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)n1 ZINC001736172859 1289188076 /nfs/dbraw/zinc/18/80/76/1289188076.db2.gz VIYUEQTUAKIORQ-JACGMILQSA-N -1 3 372.425 0.948 10 0 FCAEHM CCOCC(=O)NCc1nc(CNC(=O)[C@H]2OCC[C@H]2CC)cc(=O)[n-]1 ZINC001736172322 1289188151 /nfs/dbraw/zinc/18/81/51/1289188151.db2.gz PXLRDKNIOFRMNO-BZNIZROVSA-N -1 3 366.418 0.266 10 0 FCAEHM CCOCCOCC(=O)N1CC[C@H](NC(=O)c2c(C)nc[n-]c2=O)[C@H]1C ZINC001736286858 1289244508 /nfs/dbraw/zinc/24/45/08/1289244508.db2.gz IEPCAVHMCKPSCE-OLZOCXBDSA-N -1 3 366.418 0.263 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](C)[C@H](CCNC(=O)[C@H](O)C(C)C)C1 ZINC001736406299 1289318776 /nfs/dbraw/zinc/31/87/76/1289318776.db2.gz POXCSMVXYLNBJZ-UXIGCNINSA-N -1 3 364.446 0.722 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1(O)CCC1)C2 ZINC001736475568 1289376754 /nfs/dbraw/zinc/37/67/54/1289376754.db2.gz HFCWZYVPXQOAGN-AGIUHOORSA-N -1 3 360.414 0.657 10 0 FCAEHM CC[C@H](C(=O)N[C@]12CCC[C@H]1CN(C(=O)c1n[nH]c(C)c1[O-])C2)N(C)C ZINC001736607064 1289472631 /nfs/dbraw/zinc/47/26/31/1289472631.db2.gz ROBWLQWVGLFETO-JCGVRSQUSA-N -1 3 363.462 0.875 10 0 FCAEHM CCO[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)c2cnc[n-]c2=O)C1 ZINC001736618089 1289482587 /nfs/dbraw/zinc/48/25/87/1289482587.db2.gz GCCWULHLBSLUHS-LXIYXOSZSA-N -1 3 362.430 0.966 10 0 FCAEHM Cn1nccc1[C@@H]1C[C@H]1C(=O)NC[C@](C)(NC(=O)c1cn[n-]n1)C1CC1 ZINC001738193473 1289640675 /nfs/dbraw/zinc/64/06/75/1289640675.db2.gz VXCDBHKSWZJFKD-QFSBIZTOSA-N -1 3 357.418 0.357 10 0 FCAEHM CCOC(=O)N1C[C@H](NC(=O)c2c[n-]c3ccccc3c2=O)[C@@H](CO)C1 ZINC001611693297 1289666472 /nfs/dbraw/zinc/66/64/72/1289666472.db2.gz QFHWGUWPCMNPSC-ABAIWWIYSA-N -1 3 359.382 0.707 10 0 FCAEHM O=C(c1ccc(-c2nc(=O)o[n-]2)cc1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001611685678 1289666691 /nfs/dbraw/zinc/66/66/91/1289666691.db2.gz LZQGTBGPNJUPPN-HUUCEWRRSA-N -1 3 358.398 0.701 10 0 FCAEHM CCC[C@@H](OC)C(=O)N1C[C@@H]2CCN(C(=O)c3c(C)nc[n-]c3=O)[C@@H]2C1 ZINC001702145924 1289751201 /nfs/dbraw/zinc/75/12/01/1289751201.db2.gz GWCFHAGHODXAQI-BFHYXJOUSA-N -1 3 362.430 0.979 10 0 FCAEHM Cn1nnc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)n1 ZINC001616648231 1289786104 /nfs/dbraw/zinc/78/61/04/1289786104.db2.gz BSLHXBGFYNVNGA-UHFFFAOYSA-N -1 3 364.309 0.853 10 0 FCAEHM CCO[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccccc2[O-])C1)C(C)C ZINC001739398229 1289914705 /nfs/dbraw/zinc/91/47/05/1289914705.db2.gz RTCDCMGBISNHKH-FVQBIDKESA-N -1 3 350.415 0.755 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CN(C(=O)CCOC(C)C)C[C@H]1C ZINC001702277102 1289950633 /nfs/dbraw/zinc/95/06/33/1289950633.db2.gz IANQFMLYDPCVCU-DGCLKSJQSA-N -1 3 350.419 0.882 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(CC(=O)NC(=O)Nc3ccccc3)CC2)n1 ZINC001620587377 1290005259 /nfs/dbraw/zinc/00/52/59/1290005259.db2.gz CZEHOMIYIZOBEL-UHFFFAOYSA-N -1 3 370.413 0.961 10 0 FCAEHM CCC[C@H](C(=O)N1C[C@@H](NC(=O)c2c(C)nc[n-]c2=O)[C@@H](O)C1)C(C)C ZINC001702380513 1290170247 /nfs/dbraw/zinc/17/02/47/1290170247.db2.gz BRBMSPPYZZYHCD-MJBXVCDLSA-N -1 3 364.446 0.864 10 0 FCAEHM COc1ccc(CN2CCCN(C(=O)Cn3c(=O)[n-][nH]c3=O)CC2)cc1 ZINC001624877667 1290303127 /nfs/dbraw/zinc/30/31/27/1290303127.db2.gz QUPSCFMGEUNIFT-UHFFFAOYSA-N -1 3 361.402 0.432 10 0 FCAEHM CCOC(=O)C[C@@H](C)NC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001625152560 1290322686 /nfs/dbraw/zinc/32/26/86/1290322686.db2.gz RERPMQWYAJMIHT-SNVBAGLBSA-N -1 3 363.345 0.945 10 0 FCAEHM CCOC(=O)C[C@@H](C)NC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001625152560 1290322697 /nfs/dbraw/zinc/32/26/97/1290322697.db2.gz RERPMQWYAJMIHT-SNVBAGLBSA-N -1 3 363.345 0.945 10 0 FCAEHM COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC001625147395 1290323303 /nfs/dbraw/zinc/32/33/03/1290323303.db2.gz AKVUDGKDXDLDFX-GFCCVEGCSA-N -1 3 366.418 0.997 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C[C@H]2CCNC2=O)cc1OC ZINC001625195298 1290325214 /nfs/dbraw/zinc/32/52/14/1290325214.db2.gz BCXZRLNXQSVJIE-SNVBAGLBSA-N -1 3 355.416 0.922 10 0 FCAEHM COCCC[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@@H]1O ZINC001739688059 1290360757 /nfs/dbraw/zinc/36/07/57/1290360757.db2.gz YSLLRTMAFLGNJV-BJJXKVORSA-N -1 3 350.415 0.756 10 0 FCAEHM O=C(CCn1cnnn1)NC[C@H]1CC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001739904325 1290433710 /nfs/dbraw/zinc/43/37/10/1290433710.db2.gz FFTRHKREOBZZKX-QWHCGFSZSA-N -1 3 358.402 0.484 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CCO1 ZINC001627153371 1290442132 /nfs/dbraw/zinc/44/21/32/1290442132.db2.gz ROXBWQSVLLDVRR-SJCJKPOMSA-N -1 3 368.434 0.641 10 0 FCAEHM COc1ccc([C@@H](CN(C)C)NC(=O)CNC(=O)c2ncccc2[O-])cc1 ZINC001627277816 1290451095 /nfs/dbraw/zinc/45/10/95/1290451095.db2.gz PFFQOEMEYMHITF-OAHLLOKOSA-N -1 3 372.425 0.945 10 0 FCAEHM COC[C@H](OC)C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1cnc[n-]c1=O ZINC001739973859 1290455313 /nfs/dbraw/zinc/45/53/13/1290455313.db2.gz OIRWWLRMRRHLQU-DYEKYZERSA-N -1 3 366.418 0.201 10 0 FCAEHM CCO[C@@H](C)C(=O)NCc1nc(CNC(=O)[C@@H]2C[C@H]2CC)cc(=O)[n-]1 ZINC001739981519 1290458813 /nfs/dbraw/zinc/45/88/13/1290458813.db2.gz ZXNOULTYXKWUBU-DMDPSCGWSA-N -1 3 350.419 0.886 10 0 FCAEHM O=C(CNS(=O)(=O)c1ccccc1)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001628255657 1290520148 /nfs/dbraw/zinc/52/01/48/1290520148.db2.gz WQAVDTAUUHVNRK-UHFFFAOYSA-N -1 3 354.413 0.066 10 0 FCAEHM CS(=O)(=O)c1ccc(N)c(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)c1 ZINC001628258997 1290520612 /nfs/dbraw/zinc/52/06/12/1290520612.db2.gz MAMYXTFOVQDRCO-UHFFFAOYSA-N -1 3 354.413 0.387 10 0 FCAEHM C[C@H](C(=O)NCc1cc(=O)[n-]c(=S)[nH]1)N1C(=O)NC2(CCCC2)C1=O ZINC001628254678 1290520865 /nfs/dbraw/zinc/52/08/65/1290520865.db2.gz BVHWYQAOMPIAQG-MRVPVSSYSA-N -1 3 365.415 0.340 10 0 FCAEHM Cc1cc(=O)[n-]c(CNC(=O)CC2(NC(=O)OC(C)(C)C)COC2)n1 ZINC001628268453 1290521655 /nfs/dbraw/zinc/52/16/55/1290521655.db2.gz NULXYPRQQRAKOE-UHFFFAOYSA-N -1 3 352.391 0.791 10 0 FCAEHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC001628259220 1290521748 /nfs/dbraw/zinc/52/17/48/1290521748.db2.gz RFZVGJQQKLWTFA-BQBZGAKWSA-N -1 3 350.322 0.402 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cn(CCO)nc1C1CCOCC1 ZINC001628274247 1290523653 /nfs/dbraw/zinc/52/36/53/1290523653.db2.gz FWMZYPDDUMDVRD-CYBMUJFWSA-N -1 3 363.418 0.011 10 0 FCAEHM CC[C@@H]1C(=O)NCCN1C(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001628705465 1290551610 /nfs/dbraw/zinc/55/16/10/1290551610.db2.gz JYHLSTGTAFQDLJ-GFCCVEGCSA-N -1 3 360.345 0.225 10 0 FCAEHM CC[C@@H]1C(=O)NCCN1C(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001628705465 1290551616 /nfs/dbraw/zinc/55/16/16/1290551616.db2.gz JYHLSTGTAFQDLJ-GFCCVEGCSA-N -1 3 360.345 0.225 10 0 FCAEHM O=C(NCCCN(C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1CC1)c1cnc[n-]c1=O ZINC001744037500 1290570745 /nfs/dbraw/zinc/57/07/45/1290570745.db2.gz XZKOAFGXALBGEW-NFAWXSAZSA-N -1 3 360.414 0.861 10 0 FCAEHM C[C@H](C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)[C@H](C)S(C)(=O)=O ZINC001629053536 1290572783 /nfs/dbraw/zinc/57/27/83/1290572783.db2.gz FYZCVTMWUVMTLX-IUCAKERBSA-N -1 3 355.416 0.590 10 0 FCAEHM O=C(NC[C@]1(O)CCSC1)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001629538907 1290605513 /nfs/dbraw/zinc/60/55/13/1290605513.db2.gz QILSPXYFEMNHED-MRXNPFEDSA-N -1 3 365.386 0.472 10 0 FCAEHM O=C(NC[C@]1(O)CCSC1)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001629538907 1290605525 /nfs/dbraw/zinc/60/55/25/1290605525.db2.gz QILSPXYFEMNHED-MRXNPFEDSA-N -1 3 365.386 0.472 10 0 FCAEHM COC(=O)Cc1n[n-]c(NC(=O)C2(n3cc(Br)cn3)CC2)n1 ZINC001629781494 1290624912 /nfs/dbraw/zinc/62/49/12/1290624912.db2.gz ZKYQPIRUBOFKGR-UHFFFAOYSA-N -1 3 369.179 0.607 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)C2(n3cc(Br)cn3)CC2)n[n-]1 ZINC001629781494 1290624922 /nfs/dbraw/zinc/62/49/22/1290624922.db2.gz ZKYQPIRUBOFKGR-UHFFFAOYSA-N -1 3 369.179 0.607 10 0 FCAEHM CO[C@@H]1C[C@H]1C(=O)NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1 ZINC001629901433 1290632786 /nfs/dbraw/zinc/63/27/86/1290632786.db2.gz RNKDWNHLSWOSMK-GHMZBOCLSA-N -1 3 352.391 0.858 10 0 FCAEHM CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCc1c[n-][nH]c1=O ZINC001630631078 1290682677 /nfs/dbraw/zinc/68/26/77/1290682677.db2.gz FCHSSNQFRGDSFZ-CXAGYDPISA-N -1 3 369.425 0.843 10 0 FCAEHM COc1ccc([C@@H](CC(=O)NCCCc2c[n-][nH]c2=O)NC(C)=O)cc1 ZINC001630631286 1290683130 /nfs/dbraw/zinc/68/31/30/1290683130.db2.gz HFKOAEIVWZCYON-GOEBONIOSA-N -1 3 360.414 0.891 10 0 FCAEHM C[C@@H]1CN(CCCCNC(=O)CCCn2c(=O)[n-][nH]c2=O)C[C@@H](C)O1 ZINC001630689952 1290687121 /nfs/dbraw/zinc/68/71/21/1290687121.db2.gz TYXSWBQRTMZJNP-CHWSQXEVSA-N -1 3 355.439 0.475 10 0 FCAEHM Cn1nc2c(c1C(=O)NCc1ccc([O-])c(F)c1)CS(=O)(=O)CC2 ZINC001631428912 1290730180 /nfs/dbraw/zinc/73/01/80/1290730180.db2.gz CQJMQQIQJNEKNF-UHFFFAOYSA-N -1 3 353.375 0.666 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)NCC(=O)N=S(C)(C)=O)c([O-])c1 ZINC001643308896 1290873284 /nfs/dbraw/zinc/87/32/84/1290873284.db2.gz UXKGCLBREVPIOP-UHFFFAOYSA-N -1 3 355.416 0.191 10 0 FCAEHM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1ccn(-c2ccncc2)n1 ZINC001644156189 1290944189 /nfs/dbraw/zinc/94/41/89/1290944189.db2.gz GSEQAYZSHGYAQM-UHFFFAOYSA-N -1 3 352.354 0.766 10 0 FCAEHM CNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)ccc1F ZINC001644260493 1290950342 /nfs/dbraw/zinc/95/03/42/1290950342.db2.gz AHIANSQCGKAFSV-SNVBAGLBSA-N -1 3 368.390 0.792 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)c3nc4nccc(C)n4n3)CC2)n1 ZINC001644863850 1290990351 /nfs/dbraw/zinc/99/03/51/1290990351.db2.gz VSKXJYIGFGGZCW-UHFFFAOYSA-N -1 3 354.374 0.199 10 0 FCAEHM O=C(C[C@@H]1CC(=O)NC1=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001646347606 1291064007 /nfs/dbraw/zinc/06/40/07/1291064007.db2.gz KGBBRVYMTWIOED-LLVKDONJSA-N -1 3 356.338 0.758 10 0 FCAEHM O=C(C[C@@H]1CC(=O)NC1=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001646347606 1291064014 /nfs/dbraw/zinc/06/40/14/1291064014.db2.gz KGBBRVYMTWIOED-LLVKDONJSA-N -1 3 356.338 0.758 10 0 FCAEHM CS(=O)(=O)N1CCc2cc(C(=O)NCCCc3c[n-][nH]c3=O)ccc21 ZINC001647857839 1291079024 /nfs/dbraw/zinc/07/90/24/1291079024.db2.gz CASUDUFZZKDRQN-CYBMUJFWSA-N -1 3 364.427 0.251 10 0 FCAEHM O=C(c1nc[n-]c(=O)c1Br)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001648403269 1291119734 /nfs/dbraw/zinc/11/97/34/1291119734.db2.gz WRIGTAHZMFDLTJ-VHSXEESVSA-N -1 3 371.235 0.616 10 0 FCAEHM Cn1cc(Br)c(C(=O)Nc2n[n-]c(SCCO)n2)cc1=O ZINC001648632415 1291132877 /nfs/dbraw/zinc/13/28/77/1291132877.db2.gz NFGPSQGOZPOMRD-UHFFFAOYSA-N -1 3 374.220 0.603 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)CC[C@@H]2CC[C@@H](C3OCCO3)O2)[n-]1 ZINC001648716773 1291138011 /nfs/dbraw/zinc/13/80/11/1291138011.db2.gz FLYSKJJOTGHHKF-QWRGUYRKSA-N -1 3 368.390 0.298 10 0 FCAEHM NC(=O)c1nccnc1NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001650891125 1291183140 /nfs/dbraw/zinc/18/31/40/1291183140.db2.gz SGHRYIWOWVHVNN-UHFFFAOYSA-N -1 3 361.836 0.681 10 0 FCAEHM COCCNc1nc(CC(=O)N2CCC(Cc3nnn[n-]3)CC2)cs1 ZINC001651238718 1291209078 /nfs/dbraw/zinc/20/90/78/1291209078.db2.gz ORQYKXWPVQZQMV-UHFFFAOYSA-N -1 3 365.463 0.738 10 0 FCAEHM COCCNc1nc(CC(=O)N2CCC(Cc3nn[n-]n3)CC2)cs1 ZINC001651238718 1291209084 /nfs/dbraw/zinc/20/90/84/1291209084.db2.gz ORQYKXWPVQZQMV-UHFFFAOYSA-N -1 3 365.463 0.738 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N[C@H]1CC[C@@H](O)[C@@H](O)C1 ZINC001652818382 1291303387 /nfs/dbraw/zinc/30/33/87/1291303387.db2.gz RYCVIAQQVOPCDT-YIZRAAEISA-N -1 3 368.864 0.070 10 0 FCAEHM O=C(CCS(=O)(=O)C1CCCC1)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001653312864 1291334282 /nfs/dbraw/zinc/33/42/82/1291334282.db2.gz NVYVQNYTUDBRTN-GFCCVEGCSA-N -1 3 368.459 0.625 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@]23CC(=O)N[C@H]2CCCC3)ccc1F ZINC001653503085 1291349671 /nfs/dbraw/zinc/34/96/71/1291349671.db2.gz BLONDCFUNAHFNE-XJKSGUPXSA-N -1 3 369.418 0.665 10 0 FCAEHM C[C@]1(C(=O)NN2CC(=O)[N-]C2=O)CC(c2cccc(Cl)c2F)=NO1 ZINC001654198328 1291398495 /nfs/dbraw/zinc/39/84/95/1291398495.db2.gz ZTJOXIBVHDQKRK-CQSZACIVSA-N -1 3 354.725 0.945 10 0 FCAEHM C[C@@H](C(=O)NCC(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12)[C@@H]1CCCO1 ZINC001654253526 1291402238 /nfs/dbraw/zinc/40/22/38/1291402238.db2.gz SMEUUNGTWYVIIB-SKDRFNHKSA-N -1 3 360.370 0.911 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)[n-]1 ZINC001654490519 1291414712 /nfs/dbraw/zinc/41/47/12/1291414712.db2.gz WLWCVMMRRFMNJR-NEPJUHHUSA-N -1 3 363.418 0.779 10 0 FCAEHM O=C(CNC(=O)c1ccc([O-])cc1)N1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC001654800701 1291436279 /nfs/dbraw/zinc/43/62/79/1291436279.db2.gz PUDGWEFAUHNFRM-CHWSQXEVSA-N -1 3 352.412 0.015 10 0 FCAEHM CC(=O)NCC(=O)N1CCC[C@@H](C)[C@H]1CCCNCc1n[nH]c(=O)[n-]1 ZINC001656603135 1291550928 /nfs/dbraw/zinc/55/09/28/1291550928.db2.gz SEIXACQDDLGZLF-DGCLKSJQSA-N -1 3 352.439 0.143 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NCc1cc(=O)[n-]c(CNC(=O)Cc2cc[nH]n2)n1 ZINC001684814978 1292339606 /nfs/dbraw/zinc/33/96/06/1292339606.db2.gz AKFYYDJHFMKKQF-ZWNOBZJWSA-N -1 3 358.402 0.427 10 0 FCAEHM O=C(CNC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)NCc1ccccc1 ZINC001685645784 1292581983 /nfs/dbraw/zinc/58/19/83/1292581983.db2.gz ZCVZKZIVWZLHOD-CQSZACIVSA-N -1 3 370.413 0.377 10 0 FCAEHM Cn1cc(Cl)c(CNC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)n1 ZINC001686516119 1292934674 /nfs/dbraw/zinc/93/46/74/1292934674.db2.gz DDGKRNGVWHYTQH-UHFFFAOYSA-N -1 3 352.782 0.641 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CCC2(CNC(=O)C2)CC1 ZINC001687789982 1293014484 /nfs/dbraw/zinc/01/44/84/1293014484.db2.gz QPORRNNFIKXXJG-GFCCVEGCSA-N -1 3 360.418 0.073 10 0 FCAEHM CC[S@@](=O)CC[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC ZINC000751089227 836465521 /nfs/dbraw/zinc/46/55/21/836465521.db2.gz CUQNZVWBRAMLRK-HXUWFJFHSA-N -1 3 354.837 0.569 10 0 FCAEHM NC(=O)CN1CCC([N-]S(=O)(=O)c2cccnc2C(F)(F)F)CC1 ZINC000804944709 836493837 /nfs/dbraw/zinc/49/38/37/836493837.db2.gz SQXKUVVWHWVOTO-UHFFFAOYSA-N -1 3 366.365 0.328 10 0 FCAEHM COC(=O)[C@](C)([N-]S(=O)(=O)CCCS(C)(=O)=O)c1ccccc1 ZINC001116120061 846613216 /nfs/dbraw/zinc/61/32/16/846613216.db2.gz ULDQNCWAGGCHBA-CQSZACIVSA-N -1 3 363.457 0.429 10 0 FCAEHM CC(C)O[C@]1(CS(=O)(=O)[N-]Cc2ncc3c(n2)CCOC3)CCOC1 ZINC001118557915 847476999 /nfs/dbraw/zinc/47/69/99/847476999.db2.gz UCUZLRUUZXWHDK-MRXNPFEDSA-N -1 3 371.459 0.553 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)NC2CCN(CC(=O)[O-])CC2)s1 ZINC001118914709 847633948 /nfs/dbraw/zinc/63/39/48/847633948.db2.gz IMQOXNGYQNVXQM-UHFFFAOYSA-N -1 3 362.429 0.362 10 0 FCAEHM CO[C@H]1CN(C(=O)NCCN2CCN(C)C(C)(C)C2)[C@](C)(C(=O)[O-])C1 ZINC001119640311 847918900 /nfs/dbraw/zinc/91/89/00/847918900.db2.gz JZNPCIFBJAZSIH-DYVFJYSZSA-N -1 3 356.467 0.286 10 0 FCAEHM CC[C@@H](NC(C)=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001128384965 848741751 /nfs/dbraw/zinc/74/17/51/848741751.db2.gz XSDKDYYVHJODBI-GFCCVEGCSA-N -1 3 363.386 0.274 10 0 FCAEHM COCCOc1ccnc([N-]C(=O)c2ccc(S(=O)(=O)N(C)C)o2)n1 ZINC001129716941 848885436 /nfs/dbraw/zinc/88/54/36/848885436.db2.gz PHWPEFWGGZMSKD-UHFFFAOYSA-N -1 3 370.387 0.597 10 0 FCAEHM CN1CCn2nc(C(=O)[N-]c3cc(C(C)(C)F)on3)cc2S1(=O)=O ZINC001135372950 849196111 /nfs/dbraw/zinc/19/61/11/849196111.db2.gz GAIPJAFYCFPHBN-UHFFFAOYSA-N -1 3 357.367 0.962 10 0 FCAEHM O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1nc[n-]c(=O)c1Br ZINC001136492917 849223800 /nfs/dbraw/zinc/22/38/00/849223800.db2.gz NMLQBEWVMRQCJP-RKDXNWHRSA-N -1 3 357.208 0.538 10 0 FCAEHM CS(=O)(=O)c1ccc(C(=O)NCc2nc(C(F)(F)F)n[n-]2)c(N)c1 ZINC001138644854 849315887 /nfs/dbraw/zinc/31/58/87/849315887.db2.gz PYZDVNIRDYWJSA-UHFFFAOYSA-N -1 3 363.321 0.739 10 0 FCAEHM O=C(N[C@@H]1COC[C@H]1O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC001140872019 849373417 /nfs/dbraw/zinc/37/34/17/849373417.db2.gz YNHGBYROVGHXDN-ZIAGYGMSSA-N -1 3 369.374 0.444 10 0 FCAEHM Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CCC(=O)[N-]O[C@H](CO)C(C)C ZINC001141345875 849391284 /nfs/dbraw/zinc/39/12/84/849391284.db2.gz SRMPWKONPUGVDS-CYBMUJFWSA-N -1 3 350.419 0.876 10 0 FCAEHM C[C@H](Sc1nc(CC(=O)NCCCc2cc(=O)[nH][n-]2)cs1)C(N)=O ZINC001141691074 849406020 /nfs/dbraw/zinc/40/60/20/849406020.db2.gz FPOIACGJIITKFJ-QMMMGPOBSA-N -1 3 369.472 0.424 10 0 FCAEHM CC(C)(C)OC(=O)C1=NO[C@H](C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)C1 ZINC001144502715 849524359 /nfs/dbraw/zinc/52/43/59/849524359.db2.gz OIEVBLBSAVQBIU-SKDRFNHKSA-N -1 3 350.375 0.918 10 0 FCAEHM CS(=O)(=O)Nc1ccc(C(=O)NCCCc2c[n-][nH]c2=O)c(Cl)c1 ZINC001149261556 849633856 /nfs/dbraw/zinc/63/38/56/849633856.db2.gz ABSGQHNNVRKZLT-VIFPVBQESA-N -1 3 372.834 0.953 10 0 FCAEHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001163169562 850359429 /nfs/dbraw/zinc/35/94/29/850359429.db2.gz HXJDPCCKKJFVFQ-HNNXBMFYSA-N -1 3 353.400 0.089 10 0 FCAEHM CNS(=O)(=O)c1ccc(CCC(=O)NCCCc2c[n-][nH]c2=O)cc1 ZINC001168403925 850584701 /nfs/dbraw/zinc/58/47/01/850584701.db2.gz JIZJHULYKVRILM-CYBMUJFWSA-N -1 3 366.443 0.156 10 0 FCAEHM CNc1cc(I)ccc1C(=O)NN1CC(=O)[N-]C1=O ZINC001182302759 851167734 /nfs/dbraw/zinc/16/77/34/851167734.db2.gz JGPQUBPKZBAHFE-UHFFFAOYSA-N -1 3 374.138 0.530 10 0 FCAEHM NS(=O)(=O)NC[C@H]1CCCN(Cc2nnc(-c3ccccc3[O-])o2)C1 ZINC001190700250 851947030 /nfs/dbraw/zinc/94/70/30/851947030.db2.gz WEQGDDCQXAXJQC-LLVKDONJSA-N -1 3 367.431 0.447 10 0 FCAEHM CCC[C@H](OC)C(=O)N1CC[C@@H](C)C[C@H]1CNCc1nc(=O)n(C)[n-]1 ZINC001263999824 859275725 /nfs/dbraw/zinc/27/57/25/859275725.db2.gz UDEKIYZXZQBMCB-RDBSUJKOSA-N -1 3 353.467 0.640 10 0 FCAEHM CO[C@H](C(=O)NC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C)C(C)C ZINC001282508143 864312750 /nfs/dbraw/zinc/31/27/50/864312750.db2.gz CAOPURKEEWYOPB-BZPMIXESSA-N -1 3 350.419 0.678 10 0 FCAEHM Cc1cccc2c(=O)n(CC(=O)NCc3cc(=O)[n-]c(=S)[nH]3)cnc12 ZINC001300198183 866214954 /nfs/dbraw/zinc/21/49/54/866214954.db2.gz WGHCFWRDBZLFKR-UHFFFAOYSA-N -1 3 357.395 0.806 10 0 FCAEHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1C[C@H](CO)[C@H](CCO)C1 ZINC001351004446 866754745 /nfs/dbraw/zinc/75/47/45/866754745.db2.gz GKYMJVOOLJIOEL-NXEZZACHSA-N -1 3 352.337 0.869 10 0 FCAEHM CC(=O)N1CCN(c2nnc(-c3nnc(Cl)[n-]3)n2CC2CC2)CC1 ZINC001351333727 866835859 /nfs/dbraw/zinc/83/58/59/866835859.db2.gz IUACZVFKFVFOFZ-UHFFFAOYSA-N -1 3 350.814 0.795 10 0 FCAEHM CC(=O)N1CCN(c2nnc(-c3n[n-]c(Cl)n3)n2CC2CC2)CC1 ZINC001351333727 866835879 /nfs/dbraw/zinc/83/58/79/866835879.db2.gz IUACZVFKFVFOFZ-UHFFFAOYSA-N -1 3 350.814 0.795 10 0 FCAEHM CC(C)n1c([C@@H]2CCCN(C(=O)Cc3[nH]c(O)nc3O)C2)n[n-]c1=S ZINC001319611270 867962601 /nfs/dbraw/zinc/96/26/01/867962601.db2.gz DKOFDLBGMSMERK-ZJUUUORDSA-N -1 3 366.447 0.452 10 0 FCAEHM CN1C(=O)CN([N-]C(=O)C(=O)Nc2nc(C(F)(F)F)cs2)C1=O ZINC001322288301 868783237 /nfs/dbraw/zinc/78/32/37/868783237.db2.gz FYXRVFBUJHAVCV-UHFFFAOYSA-N -1 3 351.266 0.026 10 0 FCAEHM Cc1nnc(C[N-]S(=O)(=O)c2ccc3c(c2)CS(=O)(=O)C3)s1 ZINC001326463432 870331772 /nfs/dbraw/zinc/33/17/72/870331772.db2.gz HZNKBUYQXXMQMM-UHFFFAOYSA-N -1 3 359.454 0.753 10 0 FCAEHM O=C(c1nnc2ccccc2c1[O-])N1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001326673767 870442730 /nfs/dbraw/zinc/44/27/30/870442730.db2.gz ATYRTMVIYWQXID-INIZCTEOSA-N -1 3 363.395 0.365 10 0 FCAEHM C[C@@H](NC(=O)C(=O)N(C)C[C@H]1CCCN1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001327160622 870694541 /nfs/dbraw/zinc/69/45/41/870694541.db2.gz OSIJUFXTDPTHPP-YIYPIFLZSA-N -1 3 353.463 0.791 10 0 FCAEHM O=C(NCc1ccc([O-])c(Br)c1)C(=O)N1CCNC(=O)CC1 ZINC001327312722 870784337 /nfs/dbraw/zinc/78/43/37/870784337.db2.gz LFYCCQXJDPISLY-UHFFFAOYSA-N -1 3 370.203 0.119 10 0 FCAEHM CC1(C(=O)[O-])CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC001327683713 871012167 /nfs/dbraw/zinc/01/21/67/871012167.db2.gz YYCGCNGCMFILDH-KBPBESRZSA-N -1 3 351.447 0.833 10 0 FCAEHM C[C@H]1CC[C@H](NC(=O)C(=O)NCc2ccc([O-])c(F)c2)CS1(=O)=O ZINC001328247720 871311257 /nfs/dbraw/zinc/31/12/57/871311257.db2.gz ZUUZQABPOVZUFK-ONGXEEELSA-N -1 3 358.391 0.229 10 0 FCAEHM Cc1nc(C)c(CC(=O)N2C[C@@H](CNC(=O)C(F)F)[C@H](C)C2)c(=O)[n-]1 ZINC001345948679 871573746 /nfs/dbraw/zinc/57/37/46/871573746.db2.gz GDSDOZAWZUWSAQ-LDYMZIIASA-N -1 3 356.373 0.817 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CNC(=O)[C@]1(F)CCOC1 ZINC001346231906 871718027 /nfs/dbraw/zinc/71/80/27/871718027.db2.gz QGEYFAYLXZTDTB-UVWXRNBGSA-N -1 3 352.366 0.135 10 0 FCAEHM CN1CCC[C@H](NC(=O)C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC001347105418 872162722 /nfs/dbraw/zinc/16/27/22/872162722.db2.gz PCJRXAJOAIODKZ-NSHDSACASA-N -1 3 370.247 0.981 10 0 FCAEHM CCN1CCN(C2CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C2)CC1 ZINC001347442487 872335410 /nfs/dbraw/zinc/33/54/10/872335410.db2.gz XYLVQNUUACYXMA-UHFFFAOYSA-N -1 3 350.385 0.292 10 0 FCAEHM CCO[C@H](C(=O)N[C@H]1CCN(c2nc(C)cc(=O)[n-]2)C1)[C@@H]1CCOC1 ZINC001347670802 872445316 /nfs/dbraw/zinc/44/53/16/872445316.db2.gz GYBBFFFMWWFTKA-IPYPFGDCSA-N -1 3 350.419 0.627 10 0 FCAEHM CCO[C@H](C(=O)N[C@H]1CCN(c2nc(C)cc(=O)[n-]2)C1)[C@H]1CCOC1 ZINC001347670809 872446034 /nfs/dbraw/zinc/44/60/34/872446034.db2.gz GYBBFFFMWWFTKA-YDHLFZDLSA-N -1 3 350.419 0.627 10 0 FCAEHM C[C@H]1C(=O)N(C)CN1C(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001332077954 873362048 /nfs/dbraw/zinc/36/20/48/873362048.db2.gz IURUKBFTOWPVEA-VIFPVBQESA-N -1 3 358.395 0.527 10 0 FCAEHM CCN1CCN(CCC(=O)NC[C@H](SCC(=O)[O-])C(F)(F)F)CC1 ZINC001332188607 873404475 /nfs/dbraw/zinc/40/44/75/873404475.db2.gz YHPGIAULPFDDTL-NSHDSACASA-N -1 3 371.425 0.879 10 0 FCAEHM COCCN(CCOC)C1CN(C(=O)CCc2c(C)nc[n-]c2=O)C1 ZINC001332267324 873428970 /nfs/dbraw/zinc/42/89/70/873428970.db2.gz XEGVBYFWJQBHLE-UHFFFAOYSA-N -1 3 352.435 0.229 10 0 FCAEHM CCOCc1nc([C@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]C)nc2)no1 ZINC000292000349 214070262 /nfs/dbraw/zinc/07/02/62/214070262.db2.gz VGRSICNPNPCJIA-VIFPVBQESA-N -1 3 369.403 0.400 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCC(C)(C)OCCO ZINC000292012550 214070974 /nfs/dbraw/zinc/07/09/74/214070974.db2.gz DKTMLTROLMNTMX-NSHDSACASA-N -1 3 362.423 0.396 10 0 FCAEHM CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CCO[C@@H]2CCN(CC)C[C@@H]21 ZINC000292805654 214124328 /nfs/dbraw/zinc/12/43/28/214124328.db2.gz MROWYLLIQZAJJM-QWHCGFSZSA-N -1 3 372.447 0.070 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000265974272 210258988 /nfs/dbraw/zinc/25/89/88/210258988.db2.gz LVSWVUNVDPCRJT-NSHDSACASA-N -1 3 364.789 0.503 10 0 FCAEHM CN(C)c1ccc(C2(C(=O)N3CCC[C@]4(C3)NC(=O)[N-]C4=O)CC2)cc1 ZINC000294219480 214232455 /nfs/dbraw/zinc/23/24/55/214232455.db2.gz LSRRAYMNSJUDBL-LJQANCHMSA-N -1 3 356.426 0.985 10 0 FCAEHM O=C([C@H]1CCCN(c2ccccc2)C1=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000294467063 214246246 /nfs/dbraw/zinc/24/62/46/214246246.db2.gz ZGPUHMHQWQFTOO-AUUYWEPGSA-N -1 3 370.409 0.630 10 0 FCAEHM CCOc1ccncc1S(=O)(=O)[N-]CC1(OCCOC)CCOCC1 ZINC000295324332 214291110 /nfs/dbraw/zinc/29/11/10/214291110.db2.gz PXIDIEZGQXDFGB-UHFFFAOYSA-N -1 3 374.459 0.971 10 0 FCAEHM CC[C@H](NC(=O)NCc1ccc(S(=O)(=O)[N-]C)s1)[C@@H](O)C(F)F ZINC000297253241 214387531 /nfs/dbraw/zinc/38/75/31/214387531.db2.gz BBQZPHVBSJHOMS-WCBMZHEXSA-N -1 3 371.431 0.860 10 0 FCAEHM CC[C@@H]1[C@@H](CO)CCN1C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000331318188 529478835 /nfs/dbraw/zinc/47/88/35/529478835.db2.gz JWSDBJZGABNFJO-PSASIEDQSA-N -1 3 360.208 0.331 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@H]2CCC(=O)N(C)C2)s1 ZINC000265840226 210232826 /nfs/dbraw/zinc/23/28/26/210232826.db2.gz XBGVKGDDXIACQO-VIFPVBQESA-N -1 3 360.461 0.076 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000265722512 210206206 /nfs/dbraw/zinc/20/62/06/210206206.db2.gz ZSYABOMUSFTCCS-UWVGGRQHSA-N -1 3 366.486 0.060 10 0 FCAEHM CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)CN1CC(=O)[N-]C1=O ZINC000265699684 210201908 /nfs/dbraw/zinc/20/19/08/210201908.db2.gz YHXSSXLSVUDHSS-NSHDSACASA-N -1 3 356.423 0.594 10 0 FCAEHM Cn1cc(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)c(C2CC2)n1 ZINC000290996464 214008366 /nfs/dbraw/zinc/00/83/66/214008366.db2.gz BAWUDPQEWNHZHU-UHFFFAOYSA-N -1 3 368.191 0.961 10 0 FCAEHM C[Si](C)(C)c1ccc(CC(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000290970229 214006194 /nfs/dbraw/zinc/00/61/94/214006194.db2.gz XIZINQUYZMWQHF-GOSISDBHSA-N -1 3 359.502 0.975 10 0 FCAEHM C[C@@H](NC(=O)CN1CC(=O)[N-]C1=O)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000264867175 210003838 /nfs/dbraw/zinc/00/38/38/210003838.db2.gz QRVBZXUKTBYODM-LLVKDONJSA-N -1 3 374.397 0.073 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cccnc1C(F)(F)F)N1CCOCC1 ZINC000286697386 213527386 /nfs/dbraw/zinc/52/73/86/213527386.db2.gz QYYHFFMRIQKSKP-UHFFFAOYSA-N -1 3 367.349 0.628 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000333070722 215230856 /nfs/dbraw/zinc/23/08/56/215230856.db2.gz OTEQIEOIIALUIF-DOTOQJQBSA-N -1 3 373.453 0.930 10 0 FCAEHM Cc1cc(N2CC[C@H]([N-]S(=O)(=O)[C@H]3C[C@@H]4CC[C@H]3C4)C2=O)n(C)n1 ZINC000333175022 215247137 /nfs/dbraw/zinc/24/71/37/215247137.db2.gz OMIPTVIPBURRJM-RFGFWPKPSA-N -1 3 352.460 0.942 10 0 FCAEHM Cc1cc(N2CC[C@@H]([N-]S(=O)(=O)[C@@H]3C[C@@H]4CC[C@H]3C4)C2=O)n(C)n1 ZINC000333175024 215247161 /nfs/dbraw/zinc/24/71/61/215247161.db2.gz OMIPTVIPBURRJM-XJFOESAGSA-N -1 3 352.460 0.942 10 0 FCAEHM Cn1ccnc1[C@@H]1CN(C(=O)NCc2nnc(C(F)(F)F)[n-]2)CCN1C ZINC000333212970 215251398 /nfs/dbraw/zinc/25/13/98/215251398.db2.gz DCEUZNNWPOOSPC-VIFPVBQESA-N -1 3 372.355 0.755 10 0 FCAEHM Cn1ccnc1[C@@H]1CN(C(=O)NCc2n[n-]c(C(F)(F)F)n2)CCN1C ZINC000333212970 215251401 /nfs/dbraw/zinc/25/14/01/215251401.db2.gz DCEUZNNWPOOSPC-VIFPVBQESA-N -1 3 372.355 0.755 10 0 FCAEHM Cn1ccnc1[C@@H]1CN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)CCN1C ZINC000333212970 215251405 /nfs/dbraw/zinc/25/14/05/215251405.db2.gz DCEUZNNWPOOSPC-VIFPVBQESA-N -1 3 372.355 0.755 10 0 FCAEHM C[C@H](CCS(C)(=O)=O)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000361256929 215386272 /nfs/dbraw/zinc/38/62/72/215386272.db2.gz FYIVJVAIXIGNCE-OCCSQVGLSA-N -1 3 368.455 0.936 10 0 FCAEHM CNC(=O)[C@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000361525312 215397275 /nfs/dbraw/zinc/39/72/75/215397275.db2.gz IFLSZTYJRYEJKJ-DZGCQCFKSA-N -1 3 359.426 0.981 10 0 FCAEHM CCOC(=O)c1cn[n-]c1S(=O)(=O)N1CC=C(c2ccnn2C)CC1 ZINC000285420991 213339808 /nfs/dbraw/zinc/33/98/08/213339808.db2.gz VRBMQVUNAQVYOQ-UHFFFAOYSA-N -1 3 365.415 0.798 10 0 FCAEHM CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CC=C(c2ccnn2C)CC1 ZINC000285420991 213339811 /nfs/dbraw/zinc/33/98/11/213339811.db2.gz VRBMQVUNAQVYOQ-UHFFFAOYSA-N -1 3 365.415 0.798 10 0 FCAEHM CO[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)C1 ZINC000285352544 213328717 /nfs/dbraw/zinc/32/87/17/213328717.db2.gz QASANVLYRAPUAG-AOOOYVTPSA-N -1 3 366.436 0.995 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000285077813 213278558 /nfs/dbraw/zinc/27/85/58/213278558.db2.gz RVKYZCITQGXKRC-UPJWGTAASA-N -1 3 374.484 0.415 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CO)C[C@H](O)C(C)(C)C)c(C)o1 ZINC000284756745 213212680 /nfs/dbraw/zinc/21/26/80/213212680.db2.gz UUVCEHVIWLFBAD-MFKMUULPSA-N -1 3 363.432 0.811 10 0 FCAEHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H](CO)C[C@H](O)C(C)(C)C ZINC000284721501 213206003 /nfs/dbraw/zinc/20/60/03/213206003.db2.gz RKWUAJMHQHAMCW-ONGXEEELSA-N -1 3 365.473 0.971 10 0 FCAEHM CN1CCO[C@@H]2CCN(C(=O)c3cccc([C@@]4(C)NC(=O)[N-]C4=O)c3)C[C@H]21 ZINC000284668771 213193900 /nfs/dbraw/zinc/19/39/00/213193900.db2.gz HMXFFHSRORNFPG-SPYBWZPUSA-N -1 3 372.425 0.286 10 0 FCAEHM CC(C)[C@H](NC(=O)CN1CC(=O)[N-]C1=O)c1nc(-c2cccnc2)no1 ZINC000363622937 215563033 /nfs/dbraw/zinc/56/30/33/215563033.db2.gz DUCSGZMSTNFYSM-ZDUSSCGKSA-N -1 3 358.358 0.497 10 0 FCAEHM CN1CCO[C@H]2CCN(C(=O)CCn3[n-]c(=O)c4ccccc4c3=O)C[C@@H]21 ZINC000284620814 213182324 /nfs/dbraw/zinc/18/23/24/213182324.db2.gz UPVAEOMEKKACMU-HOTGVXAUSA-N -1 3 372.425 0.011 10 0 FCAEHM O=C(CCN1C(=O)CCc2ccccc21)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000366077125 215924982 /nfs/dbraw/zinc/92/49/82/215924982.db2.gz JMYPUPOVNLXPGP-LJQANCHMSA-N -1 3 370.409 0.557 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)N1CC(F)(F)C[C@@H]1CO ZINC000366671584 216013908 /nfs/dbraw/zinc/01/39/08/216013908.db2.gz AKDSMOKPCYVTBR-SNVBAGLBSA-N -1 3 365.336 0.486 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC2(C1)CCOCC2 ZINC000368307094 216230087 /nfs/dbraw/zinc/23/00/87/216230087.db2.gz IIKKTIRWSZKYJI-UHFFFAOYSA-N -1 3 360.457 0.396 10 0 FCAEHM C[C@H](C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O)N1CCc2ccccc2C1 ZINC000194996463 209331686 /nfs/dbraw/zinc/33/16/86/209331686.db2.gz WYTQKIMJQNYICH-YJYMSZOUSA-N -1 3 356.426 0.634 10 0 FCAEHM Cc1cc(C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)nn1-c1ccccc1 ZINC000195018164 209331826 /nfs/dbraw/zinc/33/18/26/209331826.db2.gz NSLNUYQDGGZGAF-GOSISDBHSA-N -1 3 353.382 0.995 10 0 FCAEHM O=C1[N-]C(=O)[C@]2(CCCN(Cc3cc(=O)n4cc(Cl)ccc4n3)C2)N1 ZINC000192677980 209303456 /nfs/dbraw/zinc/30/34/56/209303456.db2.gz RTABKNDVTHOZMZ-MRXNPFEDSA-N -1 3 361.789 0.522 10 0 FCAEHM O=C(CN1CCC[C@@]2(C1)NC(=O)[N-]C2=O)NCc1ccc(Cl)cc1 ZINC000192673008 209302931 /nfs/dbraw/zinc/30/29/31/209302931.db2.gz FKWIZIYDPLNWDN-INIZCTEOSA-N -1 3 350.806 0.630 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](c2nc[nH]n2)c2ccccc2)co1 ZINC000368814862 216299421 /nfs/dbraw/zinc/29/94/21/216299421.db2.gz XCRGWYQNFMLTKF-ZDUSSCGKSA-N -1 3 361.383 0.825 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](c2nnc[nH]2)c2ccccc2)co1 ZINC000368814862 216299423 /nfs/dbraw/zinc/29/94/23/216299423.db2.gz XCRGWYQNFMLTKF-ZDUSSCGKSA-N -1 3 361.383 0.825 10 0 FCAEHM Cc1ccc(C(=O)NC2CCN(C(=O)CN3CC(=O)[N-]C3=O)CC2)s1 ZINC000369231665 216367458 /nfs/dbraw/zinc/36/74/58/216367458.db2.gz MTYSAEYDPLLBNM-UHFFFAOYSA-N -1 3 364.427 0.329 10 0 FCAEHM C[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000277865466 212404417 /nfs/dbraw/zinc/40/44/17/212404417.db2.gz NGUYXRAVOSMMNF-JOYOIKCWSA-N -1 3 351.421 0.933 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000277616307 212379471 /nfs/dbraw/zinc/37/94/71/212379471.db2.gz RDDSGQGBWHQTAB-IYOUNJFTSA-N -1 3 363.389 0.614 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)N1CCN2CCC1CC2 ZINC000188858853 209241175 /nfs/dbraw/zinc/24/11/75/209241175.db2.gz DSXZRGGXINVSPB-UHFFFAOYSA-N -1 3 354.410 0.977 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000277549678 212373174 /nfs/dbraw/zinc/37/31/74/212373174.db2.gz MFQUCGCXNZVDRL-KBXCAEBGSA-N -1 3 363.389 0.567 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC1(c2nc[nH]n2)CCC1 ZINC000188761828 209238929 /nfs/dbraw/zinc/23/89/29/209238929.db2.gz HISHCLOXACLUIA-JTQLQIEISA-N -1 3 367.406 0.806 10 0 FCAEHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]CC2(C)OCCCO2)s1 ZINC000276925631 212308588 /nfs/dbraw/zinc/30/85/88/212308588.db2.gz LTDLZFCATVNRBY-UHFFFAOYSA-N -1 3 362.473 0.858 10 0 FCAEHM COC(=O)C1CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)CC1 ZINC000276369171 212222030 /nfs/dbraw/zinc/22/20/30/212222030.db2.gz CIOHQXDFRNXELX-NSHDSACASA-N -1 3 372.418 0.904 10 0 FCAEHM COC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H]2CCN(C)C2=O)s1 ZINC000276224327 212189939 /nfs/dbraw/zinc/18/99/39/212189939.db2.gz MLLCRZSNARKFBA-SNVBAGLBSA-N -1 3 361.445 0.156 10 0 FCAEHM O=C(c1cccc([O-])c1)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000371677175 216766237 /nfs/dbraw/zinc/76/62/37/216766237.db2.gz RNPHLXNLWFRXIT-HNNXBMFYSA-N -1 3 354.428 0.659 10 0 FCAEHM CC(C)C[C@@H](CO)N(C)C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000184546310 209163474 /nfs/dbraw/zinc/16/34/74/209163474.db2.gz ZJDMHGUUPKOQHM-VIFPVBQESA-N -1 3 362.224 0.165 10 0 FCAEHM Cc1nc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@H]2O)[n-]c1-c1ccccc1 ZINC000275320275 212007618 /nfs/dbraw/zinc/00/76/18/212007618.db2.gz XNHKZYRJMOTEGO-VXGBXAGGSA-N -1 3 356.425 0.317 10 0 FCAEHM Cc1[n-]c(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@H]2O)nc1-c1ccccc1 ZINC000275320275 212007623 /nfs/dbraw/zinc/00/76/23/212007623.db2.gz XNHKZYRJMOTEGO-VXGBXAGGSA-N -1 3 356.425 0.317 10 0 FCAEHM Cc1cn2c(n1)CN(C(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)CC2 ZINC000374665027 217154521 /nfs/dbraw/zinc/15/45/21/217154521.db2.gz UECYIHNORHNEDH-NSHDSACASA-N -1 3 354.457 0.962 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]Cc2cnc(N3CCOCC3)c(F)c2)cn1C ZINC000183753212 209152385 /nfs/dbraw/zinc/15/23/85/209152385.db2.gz RIAQATZNNYFDRZ-UHFFFAOYSA-N -1 3 369.422 0.578 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@]2(C1)CCCOC2 ZINC000375193605 217229593 /nfs/dbraw/zinc/22/95/93/217229593.db2.gz WCHFNPATHJZEMK-HNNXBMFYSA-N -1 3 374.484 0.786 10 0 FCAEHM COC1(c2ccccc2)CN(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)C1 ZINC000376276386 217378709 /nfs/dbraw/zinc/37/87/09/217378709.db2.gz VNQMBPMCXGLCQN-UHFFFAOYSA-N -1 3 364.427 0.083 10 0 FCAEHM C[C@H]1CCCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)[C@H]1CO ZINC000408141597 217744456 /nfs/dbraw/zinc/74/44/56/217744456.db2.gz UURDQHGHOKTAIJ-WPRPVWTQSA-N -1 3 360.208 0.331 10 0 FCAEHM CC(C)C[C@@H](CNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C(=O)[O-] ZINC000424426423 247213772 /nfs/dbraw/zinc/21/37/72/247213772.db2.gz STCSLVWBEOEOSO-LSDHHAIUSA-N -1 3 368.478 0.681 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N[C@H]2C[C@]2(F)c2ccccc2)c1 ZINC000424991215 247282989 /nfs/dbraw/zinc/28/29/89/247282989.db2.gz GCIJWGWRPHZUDK-WFASDCNBSA-N -1 3 352.391 0.452 10 0 FCAEHM COC(=O)c1cnc([C@H](C)[N-]S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000425191252 247302507 /nfs/dbraw/zinc/30/25/07/247302507.db2.gz VJIUTTPKWUZBQM-AEJSXWLSSA-N -1 3 363.461 0.934 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N3CC(CC(F)F)C3)cnc21 ZINC000425223061 247308419 /nfs/dbraw/zinc/30/84/19/247308419.db2.gz MJWLWIUHCVJVIZ-UHFFFAOYSA-N -1 3 360.342 0.310 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCC(=O)N(C)C2=O)c(Cl)c1 ZINC000425222349 247308994 /nfs/dbraw/zinc/30/89/94/247308994.db2.gz LTGDJDZFBODTRC-SNVBAGLBSA-N -1 3 374.802 0.552 10 0 FCAEHM CN1CC[C@H](CNC(=O)C(=O)[N-]c2nccn2-c2ccccc2)CC1=O ZINC000425789820 247384722 /nfs/dbraw/zinc/38/47/22/247384722.db2.gz WGYZTKLNKTUZOL-ZDUSSCGKSA-N -1 3 355.398 0.795 10 0 FCAEHM O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C(=O)N[C@@H]1CC12CC2 ZINC000425807443 247390314 /nfs/dbraw/zinc/39/03/14/247390314.db2.gz VCHNKMQEWGZUDE-CYBMUJFWSA-N -1 3 367.402 0.874 10 0 FCAEHM NC(=O)c1ncccc1C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436797377 248051878 /nfs/dbraw/zinc/05/18/78/248051878.db2.gz FPUWVAYXMMKKPN-UHFFFAOYSA-N -1 3 354.366 0.484 10 0 FCAEHM CCN1CCN(CC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)CC1 ZINC000436883583 248053920 /nfs/dbraw/zinc/05/39/20/248053920.db2.gz GLQGTOYLUMNTBJ-UHFFFAOYSA-N -1 3 360.458 0.314 10 0 FCAEHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CCc1nnc2n1CCC2 ZINC000439196657 248114542 /nfs/dbraw/zinc/11/45/42/248114542.db2.gz GSFNSMCZDMKHPP-UHFFFAOYSA-N -1 3 368.390 0.671 10 0 FCAEHM NC(=O)c1cncc(NCC[N-]S(=O)(=O)c2ccc(F)cc2F)n1 ZINC000440668534 248203171 /nfs/dbraw/zinc/20/31/71/248203171.db2.gz KNOUEFSPYQLTIU-UHFFFAOYSA-N -1 3 357.342 0.244 10 0 FCAEHM C[C@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)C(=O)Cc1ccccc1 ZINC000440981324 248229134 /nfs/dbraw/zinc/22/91/34/248229134.db2.gz OJHNIQMXMMAZOE-LBPRGKRZSA-N -1 3 364.427 0.015 10 0 FCAEHM CS(=O)(=O)N1CC(C[N-]S(=O)(=O)c2cnccc2C(F)(F)F)C1 ZINC000442739524 248294943 /nfs/dbraw/zinc/29/49/43/248294943.db2.gz CHCSSGPHWDNFHM-UHFFFAOYSA-N -1 3 373.378 0.270 10 0 FCAEHM Cn1ccc(C[N-]S(=O)(=O)c2cc(Br)cc(C(N)=O)c2)n1 ZINC000443044668 248305070 /nfs/dbraw/zinc/30/50/70/248305070.db2.gz GPEQHRQFGOSJBR-UHFFFAOYSA-N -1 3 373.232 0.760 10 0 FCAEHM C[S@@](=O)C1(C[N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)CC1 ZINC000443077260 248306142 /nfs/dbraw/zinc/30/61/42/248306142.db2.gz JCYNIHXMXKFORG-LJQANCHMSA-N -1 3 351.471 0.280 10 0 FCAEHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C(N)=O)C1 ZINC000443111965 248307849 /nfs/dbraw/zinc/30/78/49/248307849.db2.gz QGIFQUKYQJFDIB-VHSXEESVSA-N -1 3 358.391 0.935 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]C[C@@H](O)COc2ccc(F)c(F)c2)c1 ZINC000443224136 248312546 /nfs/dbraw/zinc/31/25/46/248312546.db2.gz PTWPLQNKCONPSS-SNVBAGLBSA-N -1 3 361.370 0.899 10 0 FCAEHM CSC[C@@H](CCO)[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000443238583 248314414 /nfs/dbraw/zinc/31/44/14/248314414.db2.gz VYNIUXZAIWBBCF-SNVBAGLBSA-N -1 3 353.487 0.482 10 0 FCAEHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCSC[C@H]1CCO ZINC000442115774 248275856 /nfs/dbraw/zinc/27/58/56/248275856.db2.gz UMHPYIMVRWMHDW-SECBINFHSA-N -1 3 358.441 0.800 10 0 FCAEHM NC(=O)COCCNC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000444298915 248354249 /nfs/dbraw/zinc/35/42/49/248354249.db2.gz ZFNFIIWVQJVJLT-UHFFFAOYSA-N -1 3 368.187 0.522 10 0 FCAEHM CN(CC1(CO)CC1)C(=O)NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000446551252 248391679 /nfs/dbraw/zinc/39/16/79/248391679.db2.gz LFMROOTYDHNPKV-QGZVFWFLSA-N -1 3 360.414 0.655 10 0 FCAEHM COCCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2n[n-]c(OC)n2)c1 ZINC000271357632 211386102 /nfs/dbraw/zinc/38/61/02/211386102.db2.gz MQKDZRSHLOSUMP-UHFFFAOYSA-N -1 3 369.403 0.299 10 0 FCAEHM COCCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2nc(OC)n[n-]2)c1 ZINC000271357632 211386108 /nfs/dbraw/zinc/38/61/08/211386108.db2.gz MQKDZRSHLOSUMP-UHFFFAOYSA-N -1 3 369.403 0.299 10 0 FCAEHM COCCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2nnc(OC)[n-]2)c1 ZINC000271357632 211386094 /nfs/dbraw/zinc/38/60/94/211386094.db2.gz MQKDZRSHLOSUMP-UHFFFAOYSA-N -1 3 369.403 0.299 10 0 FCAEHM COc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)[n-]1 ZINC000271262581 211366219 /nfs/dbraw/zinc/36/62/19/211366219.db2.gz JXOJYHIIDHOFLZ-UHFFFAOYSA-N -1 3 372.432 0.131 10 0 FCAEHM COc1nc(NC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)n[n-]1 ZINC000271262581 211366222 /nfs/dbraw/zinc/36/62/22/211366222.db2.gz JXOJYHIIDHOFLZ-UHFFFAOYSA-N -1 3 372.432 0.131 10 0 FCAEHM COc1n[n-]c(NC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)n1 ZINC000271262581 211366224 /nfs/dbraw/zinc/36/62/24/211366224.db2.gz JXOJYHIIDHOFLZ-UHFFFAOYSA-N -1 3 372.432 0.131 10 0 FCAEHM CN1CC[C@H](NC(=O)c2[nH]c(=O)[n-]c(=O)c2N)[C@H]1c1ccc(F)c(F)c1 ZINC000271207013 211355256 /nfs/dbraw/zinc/35/52/56/211355256.db2.gz XWSWDMXYRVQKPU-GXFFZTMASA-N -1 3 365.340 0.923 10 0 FCAEHM COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)C[C@@H]1NC(=O)[N-]C1=O)CC3 ZINC000271075241 211328267 /nfs/dbraw/zinc/32/82/67/211328267.db2.gz YMWZVHMZPYWPTF-AWEZNQCLSA-N -1 3 370.365 0.437 10 0 FCAEHM CC[C@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000271112915 211338363 /nfs/dbraw/zinc/33/83/63/211338363.db2.gz JIRWAGHAUYDMLI-OFQRWUPVSA-N -1 3 370.413 0.669 10 0 FCAEHM O=C(CCc1ccccc1)N1CCCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)CC1 ZINC000270881341 211289587 /nfs/dbraw/zinc/28/95/87/211289587.db2.gz LIMAUIGXRNXDND-HNNXBMFYSA-N -1 3 372.425 0.278 10 0 FCAEHM COc1cc(C(=O)N2CCN(CCC(=O)N(C)C)CC2)cc(OC)c1[O-] ZINC000270871659 211288456 /nfs/dbraw/zinc/28/84/56/211288456.db2.gz NRLSUYCJHOVUMU-UHFFFAOYSA-N -1 3 365.430 0.646 10 0 FCAEHM C[C@H](CNC(=O)C[C@@H]1NC(=O)[N-]C1=O)Oc1cccc(Br)c1 ZINC000270815119 211273618 /nfs/dbraw/zinc/27/36/18/211273618.db2.gz PDPHODWZAYIAAR-KCJUWKMLSA-N -1 3 370.203 0.931 10 0 FCAEHM CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)C1 ZINC000270712855 211253021 /nfs/dbraw/zinc/25/30/21/211253021.db2.gz OXXVEBNNNQYLLN-QWRGUYRKSA-N -1 3 354.407 0.442 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@]2(C(=O)OC)CCSC2)c(C)o1 ZINC000270647259 211241210 /nfs/dbraw/zinc/24/12/10/211241210.db2.gz LXTNNWZISPPZID-CYBMUJFWSA-N -1 3 362.429 0.275 10 0 FCAEHM CC[C@H](CO)N1CCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C)c2)CC1 ZINC000270543010 211220213 /nfs/dbraw/zinc/22/02/13/211220213.db2.gz QEDHALDQNJWWIX-CYBMUJFWSA-N -1 3 373.450 0.263 10 0 FCAEHM CN1CCN(c2ccc(CNC(=O)NCc3ncccc3[O-])cn2)CC1 ZINC000471615864 250109596 /nfs/dbraw/zinc/10/95/96/250109596.db2.gz YKTICTNVGMNQBE-UHFFFAOYSA-N -1 3 356.430 0.933 10 0 FCAEHM Cc1ccc(S(=O)(=O)NCCNC(=O)NCc2ncccc2[O-])s1 ZINC000472071832 250129460 /nfs/dbraw/zinc/12/94/60/250129460.db2.gz FYXZQUYKCKIPCT-UHFFFAOYSA-N -1 3 370.456 0.935 10 0 FCAEHM Cc1ccnc(-n2nccc2NC(=O)C(=O)NCc2ncccc2[O-])c1 ZINC000473059029 250196561 /nfs/dbraw/zinc/19/65/61/250196561.db2.gz OPPFSVLBNLJVNL-UHFFFAOYSA-N -1 3 352.354 0.931 10 0 FCAEHM Cc1ccc(NC(=O)C(=O)NCc2ncccc2[O-])cc1-n1cnnn1 ZINC000473057876 250197496 /nfs/dbraw/zinc/19/74/96/250197496.db2.gz LIELVRHZPLWOEV-UHFFFAOYSA-N -1 3 353.342 0.326 10 0 FCAEHM C[S@@](=O)c1ccc(NC(=O)C(=O)NCc2ncccc2[O-])cc1F ZINC000473055207 250197807 /nfs/dbraw/zinc/19/78/07/250197807.db2.gz GBVUDFCFFCSRED-XMMPIXPASA-N -1 3 351.359 0.919 10 0 FCAEHM Cn1nc(CC(=O)NCc2nnc(C(F)(F)F)[n-]2)c2ccccc2c1=O ZINC000482246507 250383949 /nfs/dbraw/zinc/38/39/49/250383949.db2.gz SFVOKRYAPMNFSA-UHFFFAOYSA-N -1 3 366.303 0.929 10 0 FCAEHM Cn1nc(CC(=O)NCc2n[n-]c(C(F)(F)F)n2)c2ccccc2c1=O ZINC000482246507 250383953 /nfs/dbraw/zinc/38/39/53/250383953.db2.gz SFVOKRYAPMNFSA-UHFFFAOYSA-N -1 3 366.303 0.929 10 0 FCAEHM Cn1nc(CC(=O)NCc2nc(C(F)(F)F)n[n-]2)c2ccccc2c1=O ZINC000482246507 250383958 /nfs/dbraw/zinc/38/39/58/250383958.db2.gz SFVOKRYAPMNFSA-UHFFFAOYSA-N -1 3 366.303 0.929 10 0 FCAEHM COc1ccc(Br)cc1S(=O)(=O)[N-]CC1(CO)COC1 ZINC000269711984 211051778 /nfs/dbraw/zinc/05/17/78/211051778.db2.gz QTGBJXTWQQLAIJ-UHFFFAOYSA-N -1 3 366.233 0.745 10 0 FCAEHM NS(=O)(=O)CCNC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000484268451 250501148 /nfs/dbraw/zinc/50/11/48/250501148.db2.gz BCLDWCOKRJIZJT-UHFFFAOYSA-N -1 3 374.216 0.309 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCCOC2)c(C(=O)OC)s1 ZINC000269660788 211035857 /nfs/dbraw/zinc/03/58/57/211035857.db2.gz LIQDOKUXJCLQFV-MRVPVSSYSA-N -1 3 363.413 0.779 10 0 FCAEHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N(CCO)[C@@H]1CCO[C@H]1C ZINC000485155731 250570419 /nfs/dbraw/zinc/57/04/19/250570419.db2.gz YAGYPZKIOJLQBL-CMPLNLGQSA-N -1 3 370.427 0.862 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCN(C2CC2)CC1 ZINC000067336552 208022297 /nfs/dbraw/zinc/02/22/97/208022297.db2.gz YAKCBOUVIFYQGW-NSHDSACASA-N -1 3 356.448 0.265 10 0 FCAEHM C[C@H](CN1CCOCC1)[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000108360165 208246435 /nfs/dbraw/zinc/24/64/35/208246435.db2.gz AHUVYKQYAKIEGM-GFCCVEGCSA-N -1 3 362.473 0.089 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](n3cncn3)C2)ccc1F ZINC000177502143 209025298 /nfs/dbraw/zinc/02/52/98/209025298.db2.gz RGBWWNPNXLPHSM-LBPRGKRZSA-N -1 3 367.406 0.803 10 0 FCAEHM O=C([C@H]1CC(=O)N(CCc2ccccc2)C1)N1CCc2nc[n-]c(=O)c2C1 ZINC000179050970 209072404 /nfs/dbraw/zinc/07/24/04/209072404.db2.gz WQIBHFGEJROBQE-HNNXBMFYSA-N -1 3 366.421 0.746 10 0 FCAEHM CS(=O)(=O)NC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000409783412 533405282 /nfs/dbraw/zinc/40/52/82/533405282.db2.gz BACIKEDQPIXJFE-JOYOIKCWSA-N -1 3 368.427 0.961 10 0 FCAEHM CCOC(=O)c1ccc(N2C(=O)C[C@H](SC[C@@H](N)C(=O)[O-])C2=O)cc1 ZINC000102309694 222294187 /nfs/dbraw/zinc/29/41/87/222294187.db2.gz LNGUHBHQYDUDEL-NEPJUHHUSA-N -1 3 366.395 0.640 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000409786195 230044690 /nfs/dbraw/zinc/04/46/90/230044690.db2.gz AGAFSZGTHHKJSO-QWRGUYRKSA-N -1 3 351.450 0.288 10 0 FCAEHM C[C@H]1C[C@H](NC(=O)CN2CC(=O)[N-]C2=O)CCN1C(=O)OC(C)(C)C ZINC000278450408 488876205 /nfs/dbraw/zinc/87/62/05/488876205.db2.gz XLTNVMAPAPPZDE-WDEREUQCSA-N -1 3 354.407 0.442 10 0 FCAEHM CC(C)Cn1cnc(S(=O)(=O)[N-]Cc2ncccc2S(C)(=O)=O)c1 ZINC000278405788 488873047 /nfs/dbraw/zinc/87/30/47/488873047.db2.gz OMVWKXZQNYSDRJ-UHFFFAOYSA-N -1 3 372.472 0.816 10 0 FCAEHM CCOc1ccc(S(=O)(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000278678028 488889221 /nfs/dbraw/zinc/88/92/21/488889221.db2.gz IHBHISPOCWPYBM-OAHLLOKOSA-N -1 3 353.400 0.448 10 0 FCAEHM CCc1ccc(CN(C)C(=O)CN2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000279046037 488912654 /nfs/dbraw/zinc/91/26/54/488912654.db2.gz JYIZUDZNQYEXHF-LJQANCHMSA-N -1 3 358.442 0.881 10 0 FCAEHM O=C(Nc1cccc(C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1)C1CC1 ZINC000279054785 488913157 /nfs/dbraw/zinc/91/31/57/488913157.db2.gz BBNKMXMWHPKIEO-SFHVURJKSA-N -1 3 356.382 0.849 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)N(C)[C@H]2C[C@@H](OC)C2)ccc1F ZINC000287994052 488930656 /nfs/dbraw/zinc/93/06/56/488930656.db2.gz WGWAPTJVQKGWSX-PHIMTYICSA-N -1 3 373.406 0.308 10 0 FCAEHM Cc1ccc(N2C[C@H](C(=O)N3CCC[C@@]4(C3)NC(=O)[N-]C4=O)CC2=O)cc1 ZINC000279429534 488941381 /nfs/dbraw/zinc/94/13/81/488941381.db2.gz JALBSPFQUQXMEQ-YJYMSZOUSA-N -1 3 370.409 0.549 10 0 FCAEHM COC[C@@](C)([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C(=O)OC ZINC000288045712 488937175 /nfs/dbraw/zinc/93/71/75/488937175.db2.gz IIUHBIASWRXQRG-LLVKDONJSA-N -1 3 356.322 0.957 10 0 FCAEHM Cc1c(C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)nnn1CC1CCCC1 ZINC000279396820 488938731 /nfs/dbraw/zinc/93/87/31/488938731.db2.gz GMPCEBDSAJPPCW-KRWDZBQOSA-N -1 3 360.418 0.591 10 0 FCAEHM CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279486902 488946509 /nfs/dbraw/zinc/94/65/09/488946509.db2.gz MYYPAHKWHMXJGH-YVEFUNNKSA-N -1 3 362.386 0.235 10 0 FCAEHM COC(=O)c1ccc(C=CC(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000279514874 488948853 /nfs/dbraw/zinc/94/88/53/488948853.db2.gz OZXWAMKXYVIRJN-MOTZXUDYSA-N -1 3 357.366 0.687 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000328910872 488950064 /nfs/dbraw/zinc/95/00/64/488950064.db2.gz FXALAPSMAUVEJN-RWMBFGLXSA-N -1 3 373.500 0.346 10 0 FCAEHM Cc1n[nH]c(C)c1[N-]S(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](C)C1 ZINC000349498972 489300201 /nfs/dbraw/zinc/30/02/01/489300201.db2.gz DQBBJZUYZOYMEJ-SNVBAGLBSA-N -1 3 364.493 0.830 10 0 FCAEHM O=C(CN1C(=O)CCc2ccccc21)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279627058 488957601 /nfs/dbraw/zinc/95/76/01/488957601.db2.gz XTICDWLNPWOIAA-SFHVURJKSA-N -1 3 356.382 0.166 10 0 FCAEHM CC(C)NC(=O)CN(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000024339824 487643757 /nfs/dbraw/zinc/64/37/57/487643757.db2.gz DPGRBMWHEWZSCB-NSHDSACASA-N -1 3 359.423 0.476 10 0 FCAEHM CN(C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000044909372 487925898 /nfs/dbraw/zinc/92/58/98/487925898.db2.gz GOZCXAYBHBVWGW-JSGCOSHPSA-N -1 3 366.439 0.642 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCCc1ccsc1 ZINC000046366845 487978643 /nfs/dbraw/zinc/97/86/43/487978643.db2.gz VUBVAULWDCRIHQ-UHFFFAOYSA-N -1 3 358.217 0.720 10 0 FCAEHM O=C(CCc1ccccn1)NCC(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC000051383914 488131587 /nfs/dbraw/zinc/13/15/87/488131587.db2.gz FEUFYCDXILSAAQ-UHFFFAOYSA-N -1 3 367.365 0.711 10 0 FCAEHM O=C(CCc1ccccn1)NCC(=O)Nc1cccc2c(=O)[n-][nH]c(=O)c12 ZINC000051383914 488131593 /nfs/dbraw/zinc/13/15/93/488131593.db2.gz FEUFYCDXILSAAQ-UHFFFAOYSA-N -1 3 367.365 0.711 10 0 FCAEHM CCCn1c(=O)[n-]c(=O)c2c(C(=O)NC(C)(C)C(N)=O)cc(C3CC3)nc21 ZINC000057256072 488269250 /nfs/dbraw/zinc/26/92/50/488269250.db2.gz YDJUVEJHTXTSLD-UHFFFAOYSA-N -1 3 373.413 0.366 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)C(=O)N1CCOCC1 ZINC000060909482 488292749 /nfs/dbraw/zinc/29/27/49/488292749.db2.gz DSZJBUPTNKYGAQ-IGCXYCKISA-N -1 3 372.487 0.549 10 0 FCAEHM Cc1cc(N2CCN(C(=O)c3cccc4[n-]nnc43)CC2)n2ncnc2n1 ZINC000183538056 488393113 /nfs/dbraw/zinc/39/31/13/488393113.db2.gz HAENLTYIHHTPCO-UHFFFAOYSA-N -1 3 363.385 0.666 10 0 FCAEHM Cc1cc(N2CCN(C(=O)c3cccc4nn[n-]c43)CC2)n2ncnc2n1 ZINC000183538056 488393116 /nfs/dbraw/zinc/39/31/16/488393116.db2.gz HAENLTYIHHTPCO-UHFFFAOYSA-N -1 3 363.385 0.666 10 0 FCAEHM Cc1cc(N2CCN(C(=O)c3cccc4n[n-]nc43)CC2)n2ncnc2n1 ZINC000183538056 488393118 /nfs/dbraw/zinc/39/31/18/488393118.db2.gz HAENLTYIHHTPCO-UHFFFAOYSA-N -1 3 363.385 0.666 10 0 FCAEHM CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)CN1CC(=O)[N-]C1=O ZINC000268214670 488397332 /nfs/dbraw/zinc/39/73/32/488397332.db2.gz LDJPOPNWFODZSG-LLVKDONJSA-N -1 3 356.423 0.738 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)NCCc2c(C)nn(C)c2C)cn1 ZINC000184781092 488397743 /nfs/dbraw/zinc/39/77/43/488397743.db2.gz WWFTYENOQVTFOI-UHFFFAOYSA-N -1 3 351.432 0.313 10 0 FCAEHM CCNC(=O)N1CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)OC)ccc2F)C1 ZINC000268501906 488425153 /nfs/dbraw/zinc/42/51/53/488425153.db2.gz PBTARJXWISFWJG-NSHDSACASA-N -1 3 373.406 0.694 10 0 FCAEHM CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)CN2CC(=O)[N-]C2=O)c1 ZINC000268680481 488441451 /nfs/dbraw/zinc/44/14/51/488441451.db2.gz KVGXZEOBPYNYIY-SNVBAGLBSA-N -1 3 368.415 0.254 10 0 FCAEHM CC(=O)N1CCN(C(=O)CCn2[n-]c(=O)c3ccccc3c2=O)[C@H](C)C1 ZINC000268680701 488441573 /nfs/dbraw/zinc/44/15/73/488441573.db2.gz CMBYDKZNLNBUOC-GFCCVEGCSA-N -1 3 358.398 0.159 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CCN(C(C)=O)C[C@H]2C)s1 ZINC000268908795 488456689 /nfs/dbraw/zinc/45/66/89/488456689.db2.gz ZYIUIJUFPOGDKG-SNVBAGLBSA-N -1 3 374.488 0.418 10 0 FCAEHM CC(=O)N1CCN(C(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)[C@@H](C)C1 ZINC000269151158 488474027 /nfs/dbraw/zinc/47/40/27/488474027.db2.gz OOFIWNBKGKJMBS-BBATYDOGSA-N -1 3 358.398 0.434 10 0 FCAEHM Cc1nc2[nH]cc(C(=O)N3CCC[C@H](c4cc(=O)[n-]c(C)n4)C3)c(=O)n2n1 ZINC000102255802 488497255 /nfs/dbraw/zinc/49/72/55/488497255.db2.gz RBTHUYKMWZOJPG-NSHDSACASA-N -1 3 369.385 0.550 10 0 FCAEHM C[C@@H](C(=O)N1CCc2sccc2C1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000248671651 488500594 /nfs/dbraw/zinc/50/05/94/488500594.db2.gz FKYMSANSSRXUKK-GTNSWQLSSA-N -1 3 362.455 0.695 10 0 FCAEHM COCCCS(=O)(=O)[N-]CC(=O)Nc1cccc(-c2nc[nH]n2)c1 ZINC000269414242 488500699 /nfs/dbraw/zinc/50/06/99/488500699.db2.gz BVTZLJYVALPTQQ-UHFFFAOYSA-N -1 3 353.404 0.366 10 0 FCAEHM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1cnn(CCN(C)C)c1 ZINC000104051558 488503526 /nfs/dbraw/zinc/50/35/26/488503526.db2.gz CRNGSBJDIDGFPU-UHFFFAOYSA-N -1 3 357.418 0.579 10 0 FCAEHM CCn1nccc1N1CCC[C@H]([N-]S(=O)(=O)N2CCC[C@@H](C)C2)C1=O ZINC000251564727 488516639 /nfs/dbraw/zinc/51/66/39/488516639.db2.gz GWXZWHWXBPZXKL-KGLIPLIRSA-N -1 3 369.491 0.965 10 0 FCAEHM CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2nnc(OC)[n-]2)cc1 ZINC000271435939 488519827 /nfs/dbraw/zinc/51/98/27/488519827.db2.gz QTMOCMZQLJSRSC-UHFFFAOYSA-N -1 3 369.403 0.519 10 0 FCAEHM CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2n[n-]c(OC)n2)cc1 ZINC000271435939 488519829 /nfs/dbraw/zinc/51/98/29/488519829.db2.gz QTMOCMZQLJSRSC-UHFFFAOYSA-N -1 3 369.403 0.519 10 0 FCAEHM CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2nc(OC)n[n-]2)cc1 ZINC000271435939 488519830 /nfs/dbraw/zinc/51/98/30/488519830.db2.gz QTMOCMZQLJSRSC-UHFFFAOYSA-N -1 3 369.403 0.519 10 0 FCAEHM O=C(C[C@H]1COCCN1C(=O)C[C@@H]1NC(=O)[N-]C1=O)c1cccs1 ZINC000271438815 488520388 /nfs/dbraw/zinc/52/03/88/488520388.db2.gz PKNXVAWQZMJBQQ-UWVGGRQHSA-N -1 3 351.384 0.146 10 0 FCAEHM CN1C(=O)CN([N-]C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1=O ZINC000271874921 488551640 /nfs/dbraw/zinc/55/16/40/488551640.db2.gz YVBXCJNBUJRJHZ-UHFFFAOYSA-N -1 3 365.289 0.519 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000272010016 488558514 /nfs/dbraw/zinc/55/85/14/488558514.db2.gz ZPJRHXHGWPINCS-MNOVXSKESA-N -1 3 368.752 0.299 10 0 FCAEHM CN1CC[C@@H](NC(=O)c2[nH]c(=O)[n-]c(=O)c2N)[C@@H]1c1ccc(Cl)cc1 ZINC000121338840 488566682 /nfs/dbraw/zinc/56/66/82/488566682.db2.gz FCVYWOHDYCDNHG-MFKMUULPSA-N -1 3 363.805 0.474 10 0 FCAEHM COC(=O)[C@H](C)CS(=O)(=O)[N-][C@@H](C[C@H]1CCCOC1)C(=O)OC ZINC000599458942 492175837 /nfs/dbraw/zinc/17/58/37/492175837.db2.gz AGKKGLMHXYLJOV-UTUOFQBUSA-N -1 3 351.421 0.073 10 0 FCAEHM COC[C@@](C)(CCO)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000272442351 488581280 /nfs/dbraw/zinc/58/12/80/488581280.db2.gz ILUMGSBTZIEJDO-XHDPSFHLSA-N -1 3 362.423 0.396 10 0 FCAEHM COC(=O)CCNC(=O)CC[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000599476585 492178017 /nfs/dbraw/zinc/17/80/17/492178017.db2.gz AYLLQBAARIGRAY-UHFFFAOYSA-N -1 3 350.343 0.313 10 0 FCAEHM O=S(=O)(C[C@H]1CCCO1)[N-]C[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000563059374 491211365 /nfs/dbraw/zinc/21/13/65/491211365.db2.gz UFGYDJISGOAEHJ-NEPJUHHUSA-N -1 3 361.441 0.320 10 0 FCAEHM Cc1nn(C)c(C)c1CC[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000125676359 488603442 /nfs/dbraw/zinc/60/34/42/488603442.db2.gz KHFRXRWOPFLBHO-UHFFFAOYSA-N -1 3 371.484 0.961 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000127936182 488620838 /nfs/dbraw/zinc/62/08/38/488620838.db2.gz YDNCAGOQFPYEHH-VIFPVBQESA-N -1 3 354.769 0.726 10 0 FCAEHM C[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])N1CCN(C)CC1 ZINC000129657958 488633237 /nfs/dbraw/zinc/63/32/37/488633237.db2.gz BSICEFFFVUPPIC-RDJZCZTQSA-N -1 3 374.485 0.749 10 0 FCAEHM CC[C@@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1)c1nccs1 ZINC000130539232 488638139 /nfs/dbraw/zinc/63/81/39/488638139.db2.gz MZWLPRKNZAEYQS-SNVBAGLBSA-N -1 3 357.461 0.731 10 0 FCAEHM Cn1cc(OCC(=O)NCc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)cn1 ZINC000554565901 491210078 /nfs/dbraw/zinc/21/00/78/491210078.db2.gz AQEGKZRKTXURNA-QGZVFWFLSA-N -1 3 357.370 0.170 10 0 FCAEHM NC(=O)[C@@H]1CCC[C@@H](NC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)C1 ZINC000133134161 488657533 /nfs/dbraw/zinc/65/75/33/488657533.db2.gz CSANRSSPEUYZHA-VXGBXAGGSA-N -1 3 358.398 0.240 10 0 FCAEHM Cc1cc(F)cc2c(=O)c(C(=O)NC[C@@H](O)CN3CCOCC3)c[n-]c12 ZINC000135572127 488673961 /nfs/dbraw/zinc/67/39/61/488673961.db2.gz AOWLJAPVWDUZGO-CYBMUJFWSA-N -1 3 363.389 0.399 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC[C@@H](c3nccs3)C2)c1 ZINC000151258775 488703481 /nfs/dbraw/zinc/70/34/81/488703481.db2.gz KCPFRNSREFPTFA-LLVKDONJSA-N -1 3 369.472 0.561 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CC(C(=O)NC)C1 ZINC000274511960 488715604 /nfs/dbraw/zinc/71/56/04/488715604.db2.gz NNDAHQSCJIKMRT-UHFFFAOYSA-N -1 3 353.400 0.376 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@]3(CCOC3)C2)ccc1F ZINC000274517456 488715806 /nfs/dbraw/zinc/71/58/06/488715806.db2.gz XWGOXECLTIHYKX-OAHLLOKOSA-N -1 3 358.391 0.365 10 0 FCAEHM CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)CN2CC(=O)[N-]C2=O)c1 ZINC000264837129 488717418 /nfs/dbraw/zinc/71/74/18/488717418.db2.gz HNBBXMSAOIECMO-UHFFFAOYSA-N -1 3 367.427 0.890 10 0 FCAEHM COc1cc([C@H](C)NC(=O)CN2CC(=O)[N-]C2=O)cc(OC)c1OC ZINC000264840422 488717879 /nfs/dbraw/zinc/71/78/79/488717879.db2.gz KZFXDNUACBNSJR-VIFPVBQESA-N -1 3 351.359 0.441 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@](O)(C(F)(F)F)C2)cn1 ZINC000274702132 488728334 /nfs/dbraw/zinc/72/83/34/488728334.db2.gz YMZHOMJXPZSONJ-LLVKDONJSA-N -1 3 353.322 0.129 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]c1cccc(CN2CCNC(=O)C2)c1)C1CC1 ZINC000563135071 491219167 /nfs/dbraw/zinc/21/91/67/491219167.db2.gz JXYLVIIVRDAASL-MRXNPFEDSA-N -1 3 367.471 0.785 10 0 FCAEHM O=C(C1CC2(C1)NC(=O)[N-]C2=O)N1CCN(CCc2ccccc2)CC1 ZINC000154663121 488745912 /nfs/dbraw/zinc/74/59/12/488745912.db2.gz VEPHHOYVJLOBEO-UHFFFAOYSA-N -1 3 356.426 0.362 10 0 FCAEHM C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000275140437 488765477 /nfs/dbraw/zinc/76/54/77/488765477.db2.gz RIENHSZNRDXMRG-AXFHLTTASA-N -1 3 354.407 0.441 10 0 FCAEHM CN(C)CCOc1ccc(CCNC(=O)c2cnc([O-])n(C)c2=O)cc1 ZINC000267564365 488798699 /nfs/dbraw/zinc/79/86/99/488798699.db2.gz GFEUQLNUTBLLKK-UHFFFAOYSA-N -1 3 360.414 0.399 10 0 FCAEHM C[C@H](NS(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C)C1CCCC1 ZINC000172165000 488830880 /nfs/dbraw/zinc/83/08/80/488830880.db2.gz KDNBNUMKICSYPG-VIFPVBQESA-N -1 3 352.416 0.479 10 0 FCAEHM COc1ccc(NC(=O)CN2CC(=O)[N-]C2=O)cc1-n1nnnc1C1CC1 ZINC000268026592 488834981 /nfs/dbraw/zinc/83/49/81/488834981.db2.gz XUUOKMNFEBCYTB-UHFFFAOYSA-N -1 3 371.357 0.039 10 0 FCAEHM C[C@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1N)c1ccccc1Br ZINC000174421544 488849166 /nfs/dbraw/zinc/84/91/66/488849166.db2.gz BONOLBRGHSYNSV-LURJTMIESA-N -1 3 353.176 0.899 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N1CC(F)(F)C[C@H]1CO ZINC000364605601 488976931 /nfs/dbraw/zinc/97/69/31/488976931.db2.gz WYGLZQGXNMAIRV-JTQLQIEISA-N -1 3 353.325 0.721 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-][C@@H](c2nc[nH]n2)c2ccccc2)C[C@@H](C)O1 ZINC000364606740 488977489 /nfs/dbraw/zinc/97/74/89/488977489.db2.gz KJVWQQJGRPOSEN-YRGRVCCFSA-N -1 3 351.432 0.838 10 0 FCAEHM COC(=O)Cc1n[n-]c(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2)n1 ZINC000364745581 488995799 /nfs/dbraw/zinc/99/57/99/488995799.db2.gz YHCAXVGJKPIZCU-LBPRGKRZSA-N -1 3 357.370 0.764 10 0 FCAEHM COC(=O)Cc1nnc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2)[n-]1 ZINC000364745581 488995800 /nfs/dbraw/zinc/99/58/00/488995800.db2.gz YHCAXVGJKPIZCU-LBPRGKRZSA-N -1 3 357.370 0.764 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2)n[n-]1 ZINC000364745581 488995801 /nfs/dbraw/zinc/99/58/01/488995801.db2.gz YHCAXVGJKPIZCU-LBPRGKRZSA-N -1 3 357.370 0.764 10 0 FCAEHM C[C@@H](C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O)[C@H](C)NC(=O)OC(C)(C)C ZINC000364791096 489002479 /nfs/dbraw/zinc/00/24/79/489002479.db2.gz PWDMOUSMRBOGPD-RLFDGXBXSA-N -1 3 368.434 0.736 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-][C@@H]2CCN(c3ccccc3F)C2=O)C[C@@H](C)O1 ZINC000329439955 489004908 /nfs/dbraw/zinc/00/49/08/489004908.db2.gz MUPLIXPHYOVXCW-YRGRVCCFSA-N -1 3 371.434 0.875 10 0 FCAEHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCO[C@@]2(CCCOC2)C1 ZINC000288697611 489006860 /nfs/dbraw/zinc/00/68/60/489006860.db2.gz XWDGYEULODTZHC-INIZCTEOSA-N -1 3 368.411 0.881 10 0 FCAEHM O=c1nc([C@H]2CCCN(CCNS(=O)(=O)c3ccccc3)C2)[nH][n-]1 ZINC000288782331 489015625 /nfs/dbraw/zinc/01/56/25/489015625.db2.gz BWAXXHCDTCJPPQ-LBPRGKRZSA-N -1 3 351.432 0.256 10 0 FCAEHM COc1ccc(NC(=O)NC(=O)CN2CCC(c3nc(=O)[n-][nH]3)CC2)cc1 ZINC000288797669 489016676 /nfs/dbraw/zinc/01/66/76/489016676.db2.gz CTNYQZHETUAGDK-UHFFFAOYSA-N -1 3 374.401 0.634 10 0 FCAEHM CCOC(=O)[C@@H]1CC[C@H](NC(=O)C[N-]S(=O)(=O)c2cccs2)C1 ZINC000280585592 489019497 /nfs/dbraw/zinc/01/94/97/489019497.db2.gz APYDHYBPNVFBPR-MNOVXSKESA-N -1 3 360.457 0.874 10 0 FCAEHM COCCn1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])n1 ZINC000365008551 489028722 /nfs/dbraw/zinc/02/87/22/489028722.db2.gz CAYWRUMKWHROPN-CQSZACIVSA-N -1 3 358.398 1.478 10 0 FCAEHM Cc1cc(N2CCC[C@H]([N-]S(=O)(=O)[C@H]3CCO[C@@H](C)C3)C2=O)n(C)n1 ZINC000288976324 489033200 /nfs/dbraw/zinc/03/32/00/489033200.db2.gz AZYFMEZSMXBPEK-IHRRRGAJSA-N -1 3 370.475 0.711 10 0 FCAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CCc1nc(C)no1 ZINC000288982772 489033739 /nfs/dbraw/zinc/03/37/39/489033739.db2.gz BLPSDBGVCHQGSE-MRVPVSSYSA-N -1 3 359.326 0.724 10 0 FCAEHM O=C(CN1CCC(c2nc(=O)[n-][nH]2)CC1)NC(=O)NCc1ccccc1 ZINC000281087722 489052526 /nfs/dbraw/zinc/05/25/26/489052526.db2.gz VBAJJFMEBAPFAN-UHFFFAOYSA-N -1 3 358.402 0.303 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCCC[C@@H]2c2ccnn2C)c1 ZINC000281214979 489061115 /nfs/dbraw/zinc/06/11/15/489061115.db2.gz BKPNMGJRYISZBW-CYBMUJFWSA-N -1 3 366.447 0.186 10 0 FCAEHM CN(CCCNC(=O)CN1CCC[C@@H](c2nc(=O)[n-][nH]2)C1)c1ccccc1 ZINC000289356293 489061320 /nfs/dbraw/zinc/06/13/20/489061320.db2.gz GTAFHNHQXWUIKN-OAHLLOKOSA-N -1 3 372.473 0.920 10 0 FCAEHM NS(=O)(=O)c1ccc(OCCN2CCC[C@H](c3nc(=O)[n-][nH]3)C2)cc1 ZINC000289392030 489063921 /nfs/dbraw/zinc/06/39/21/489063921.db2.gz KBJZRRRIXQTXSO-NSHDSACASA-N -1 3 367.431 0.004 10 0 FCAEHM C[C@H](Cn1cncn1)NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281315408 489066746 /nfs/dbraw/zinc/06/67/46/489066746.db2.gz UWCGTVBEEHMHHG-SNVBAGLBSA-N -1 3 362.356 0.767 10 0 FCAEHM Cc1cccc(OCCNC(=O)CN2CCC[C@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000289543627 489075876 /nfs/dbraw/zinc/07/58/76/489075876.db2.gz WVWOLWWCNLXBLX-AWEZNQCLSA-N -1 3 359.430 0.781 10 0 FCAEHM COCC[C@H]([N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC)C(=O)OC ZINC000289840744 489097102 /nfs/dbraw/zinc/09/71/02/489097102.db2.gz KDNWTIDXDANXKV-JTQLQIEISA-N -1 3 363.388 0.539 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)NCCF ZINC000290019336 489108467 /nfs/dbraw/zinc/10/84/67/489108467.db2.gz YBSGGZFQLPHAHL-ZETCQYMHSA-N -1 3 350.368 0.436 10 0 FCAEHM C[C@]1(c2ccc(-c3noc([C@@]4(C)CCC(=O)NC4)n3)cc2)NC(=O)[N-]C1=O ZINC000290220572 489122924 /nfs/dbraw/zinc/12/29/24/489122924.db2.gz PRKAIYRNNIMVGU-ZWKOTPCHSA-N -1 3 369.381 0.959 10 0 FCAEHM CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000366078980 489141656 /nfs/dbraw/zinc/14/16/56/489141656.db2.gz SCXGKIXVCIEXNA-MGPLVRAMSA-N -1 3 354.407 0.490 10 0 FCAEHM CCOc1ccccc1CN1CCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)[C@H](C)C1 ZINC000282231805 489147112 /nfs/dbraw/zinc/14/71/12/489147112.db2.gz RDDABZQMJYOGLC-HIFRSBDPSA-N -1 3 374.441 0.716 10 0 FCAEHM C[C@@H]1CN(C(=O)Nc2ccc(C[C@H]3NC(=O)[N-]C3=O)cc2)CC(=O)N1C ZINC000282281267 489151237 /nfs/dbraw/zinc/15/12/37/489151237.db2.gz QRQJNVLSDKYVMY-ZWNOBZJWSA-N -1 3 359.386 0.132 10 0 FCAEHM CNS(=O)(=O)c1cc([N-]S(=O)(=O)CCC(=O)OC)ccc1F ZINC000290596426 489152175 /nfs/dbraw/zinc/15/21/75/489152175.db2.gz YHTPPOCAPYGNJC-UHFFFAOYSA-N -1 3 354.381 0.039 10 0 FCAEHM CCNC(=O)N1CC[C@@H](NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000366171552 489154482 /nfs/dbraw/zinc/15/44/82/489154482.db2.gz NFRPBFYVSVXUGB-UKRRQHHQSA-N -1 3 374.441 0.917 10 0 FCAEHM COC[C@](C)([N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC)C(=O)OC ZINC000290771017 489164142 /nfs/dbraw/zinc/16/41/42/489164142.db2.gz ONORFLVFPBOPCI-AWEZNQCLSA-N -1 3 363.388 0.539 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)cn1 ZINC000331009012 489165344 /nfs/dbraw/zinc/16/53/44/489165344.db2.gz MRGFPRXEOKFSPK-UHFFFAOYSA-N -1 3 368.459 0.461 10 0 FCAEHM CCN1CN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC1=O ZINC000331092420 489172135 /nfs/dbraw/zinc/17/21/35/489172135.db2.gz IXSSFEXXNRRCFC-UHFFFAOYSA-N -1 3 365.408 0.008 10 0 FCAEHM CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)[N-]C3=O)[C@@H]2C1 ZINC000366421114 489179387 /nfs/dbraw/zinc/17/93/87/489179387.db2.gz OCJAYBVQXFPZQK-GARJFASQSA-N -1 3 352.391 0.052 10 0 FCAEHM C[C@@](O)(CO)CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000555092638 491238802 /nfs/dbraw/zinc/23/88/02/491238802.db2.gz OFTODEHAUMLSHK-HNNXBMFYSA-N -1 3 371.390 0.428 10 0 FCAEHM O=C(Cn1cnc2ccccc2c1=O)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000297741567 489233709 /nfs/dbraw/zinc/23/37/09/489233709.db2.gz NGRBNKXEQUHXGT-UHFFFAOYSA-N -1 3 353.342 0.046 10 0 FCAEHM O=C(Cn1cnc2ccccc2c1=O)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000297741567 489233713 /nfs/dbraw/zinc/23/37/13/489233713.db2.gz NGRBNKXEQUHXGT-UHFFFAOYSA-N -1 3 353.342 0.046 10 0 FCAEHM O=C(Cn1cnc2ccccc2c1=O)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000297741567 489233715 /nfs/dbraw/zinc/23/37/15/489233715.db2.gz NGRBNKXEQUHXGT-UHFFFAOYSA-N -1 3 353.342 0.046 10 0 FCAEHM O=C(Cn1c(=O)cnc2ccccc21)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000297821246 489246241 /nfs/dbraw/zinc/24/62/41/489246241.db2.gz UVYNZTASYVZVIB-UHFFFAOYSA-N -1 3 353.342 0.046 10 0 FCAEHM O=C(Cn1c(=O)cnc2ccccc21)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000297821246 489246245 /nfs/dbraw/zinc/24/62/45/489246245.db2.gz UVYNZTASYVZVIB-UHFFFAOYSA-N -1 3 353.342 0.046 10 0 FCAEHM O=C(Cn1c(=O)cnc2ccccc21)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000297821246 489246247 /nfs/dbraw/zinc/24/62/47/489246247.db2.gz UVYNZTASYVZVIB-UHFFFAOYSA-N -1 3 353.342 0.046 10 0 FCAEHM COCC(=O)Nc1cccc(CNC(=O)c2cc(=O)[n-]c(N(C)C)n2)c1 ZINC000555235228 491242394 /nfs/dbraw/zinc/24/23/94/491242394.db2.gz XGIVIHSXOLUGKG-UHFFFAOYSA-N -1 3 359.386 0.763 10 0 FCAEHM CN(C)c1nc(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)cc(=O)[n-]1 ZINC000555253347 491242862 /nfs/dbraw/zinc/24/28/62/491242862.db2.gz AJDVMACECIAQBE-UHFFFAOYSA-N -1 3 357.296 0.515 10 0 FCAEHM CCn1nc2c(cc1=O)CN(C(=O)c1ccc3c(c1)C(=O)[N-]C3=O)CC2 ZINC000369808560 489278148 /nfs/dbraw/zinc/27/81/48/489278148.db2.gz JGSRSJAAJFBREJ-UHFFFAOYSA-N -1 3 352.350 0.345 10 0 FCAEHM O=C1N[C@H](CF)C(=O)N1CC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000348959093 489280359 /nfs/dbraw/zinc/28/03/59/489280359.db2.gz SMAAHFWBQXTWSB-SECBINFHSA-N -1 3 351.306 0.133 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CN2C(=O)N[C@H](c3ccn(C)n3)C2=O)s1 ZINC000348997982 489281414 /nfs/dbraw/zinc/28/14/14/489281414.db2.gz BQDDZDODNPUJIO-LLVKDONJSA-N -1 3 369.428 0.183 10 0 FCAEHM COC(=O)CCNC(=O)c1ccc([N-]S(=O)(=O)CCC(=O)OC)cc1 ZINC000298070788 489286022 /nfs/dbraw/zinc/28/60/22/489286022.db2.gz CHBBAEBAFWHPPD-UHFFFAOYSA-N -1 3 372.399 0.284 10 0 FCAEHM O=S(=O)(CCCS(=O)(=O)N1CCCCCO1)[N-]c1cn[nH]c1 ZINC000349452417 489289853 /nfs/dbraw/zinc/28/98/53/489289853.db2.gz AOFBCNDNYUQZOY-UHFFFAOYSA-N -1 3 352.438 0.289 10 0 FCAEHM O=S(=O)(CCCS(=O)(=O)N1C[C@@H]2C[C@H]1CS2)[N-]c1cn[nH]c1 ZINC000349474574 489294559 /nfs/dbraw/zinc/29/45/59/489294559.db2.gz KEUCVYIPMUZPTL-QWRGUYRKSA-N -1 3 366.490 0.061 10 0 FCAEHM CCn1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@@H](C)[C@H]2C)cn1 ZINC000349482690 489296835 /nfs/dbraw/zinc/29/68/35/489296835.db2.gz PTQBVOGHTLSPRH-VXGBXAGGSA-N -1 3 364.493 0.705 10 0 FCAEHM CCCc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCOC2)n[nH]1 ZINC000349528099 489308318 /nfs/dbraw/zinc/30/83/18/489308318.db2.gz SZVOTIAUKDZVSB-UHFFFAOYSA-N -1 3 366.465 0.114 10 0 FCAEHM O=S(=O)(CCCS(=O)(=O)N[C@@H]1CC[C@H]2C[C@H]2C1)[N-]c1cn[nH]c1 ZINC000349534200 489309647 /nfs/dbraw/zinc/30/96/47/489309647.db2.gz FZMHASNWJYNVAT-SDDRHHMPSA-N -1 3 362.477 0.650 10 0 FCAEHM Cc1n[nH]c(C)c1[N-]S(=O)(=O)CCCS(=O)(=O)NC[C@@H]1C[C@H]1C ZINC000349567708 489317149 /nfs/dbraw/zinc/31/71/49/489317149.db2.gz NNXBFFJTCWIOAM-SKDRFNHKSA-N -1 3 364.493 0.734 10 0 FCAEHM Cc1n[nH]c(C)c1[N-]S(=O)(=O)CCCCS(=O)(=O)N(C)C1CC1 ZINC000349584717 489322289 /nfs/dbraw/zinc/32/22/89/489322289.db2.gz BOZVSXGEUHFLCC-UHFFFAOYSA-N -1 3 364.493 0.972 10 0 FCAEHM C[C@@H]1[C@@H](C)CN1S(=O)(=O)CCCCS(=O)(=O)[N-]c1cn[nH]c1 ZINC000349605223 489325964 /nfs/dbraw/zinc/32/59/64/489325964.db2.gz GOAMOYLGSHIQEP-WDEREUQCSA-N -1 3 350.466 0.602 10 0 FCAEHM Cc1n[nH]cc1[N-]S(=O)(=O)CCCCS(=O)(=O)N1C[C@H](C)[C@H]1C ZINC000349607211 489326685 /nfs/dbraw/zinc/32/66/85/489326685.db2.gz LQGHVQOIAIHSPB-CMPLNLGQSA-N -1 3 364.493 0.910 10 0 FCAEHM COc1cc(C(=O)N2CCC[C@H](S(=O)(=O)N(C)C)C2)cc(OC)c1[O-] ZINC000285853241 489327216 /nfs/dbraw/zinc/32/72/16/489327216.db2.gz CEQJRXQHRQOHFW-LBPRGKRZSA-N -1 3 372.443 0.905 10 0 FCAEHM CC[C@H]1CCN1S(=O)(=O)CCCCS(=O)(=O)[N-]c1cn[nH]c1 ZINC000349611140 489328283 /nfs/dbraw/zinc/32/82/83/489328283.db2.gz SBAGBCSBQJQBKY-LBPRGKRZSA-N -1 3 350.466 0.746 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCO[C@@H]2CCN(C)C[C@H]21 ZINC000285898857 489331656 /nfs/dbraw/zinc/33/16/56/489331656.db2.gz SQKFQDXTMIQBLR-YNEHKIRRSA-N -1 3 373.500 0.346 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)oc1C ZINC000370265189 489337633 /nfs/dbraw/zinc/33/76/33/489337633.db2.gz NBWFBYRJINXVFY-UISBYWKRSA-N -1 3 356.400 0.662 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]Cc2nc([C@@H]3CCOC[C@@H]3C)no2)cn1C ZINC000350592410 489342415 /nfs/dbraw/zinc/34/24/15/489342415.db2.gz HKUITYJCQDSWRQ-GXSJLCMTSA-N -1 3 355.420 0.730 10 0 FCAEHM CN1CC[C@H](c2nc(-c3ccc([N-]S(C)(=O)=O)cc3)no2)S1(=O)=O ZINC000351324852 489355019 /nfs/dbraw/zinc/35/50/19/489355019.db2.gz SQLFQLXDZNTPQZ-LLVKDONJSA-N -1 3 372.428 0.815 10 0 FCAEHM CCN(CCOCCO)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000370528288 489371128 /nfs/dbraw/zinc/37/11/28/489371128.db2.gz NMTCZFFTOYRKQV-HNNXBMFYSA-N -1 3 350.415 0.854 10 0 FCAEHM C[C@]1(c2cccc(C(=O)N3CCO[C@]4(CCCOC4)C3)c2)NC(=O)[N-]C1=O ZINC000286268522 489374764 /nfs/dbraw/zinc/37/47/64/489374764.db2.gz HZCXVFDTAKBDHE-RTBURBONSA-N -1 3 373.409 0.763 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1ccc(-n2cnc3ccccc32)nc1 ZINC000362958187 489408019 /nfs/dbraw/zinc/40/80/19/489408019.db2.gz OMDBYFJFJKRZEC-UHFFFAOYSA-N -1 3 350.338 0.911 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCCC(=O)N(C)C ZINC000299144556 489410453 /nfs/dbraw/zinc/41/04/53/489410453.db2.gz VXEQULLFJAPGIB-NSHDSACASA-N -1 3 359.423 0.477 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)ccc1F ZINC000363365689 489457789 /nfs/dbraw/zinc/45/77/89/489457789.db2.gz QEIDNIGLMCTYPP-UFGOTCBOSA-N -1 3 369.418 0.473 10 0 FCAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H](NC(=O)C3CC3)[C@H](C)O)cc2)n1 ZINC000371562766 489488385 /nfs/dbraw/zinc/48/83/85/489488385.db2.gz WKMYEJUWGYLRBB-ZBEGNZNMSA-N -1 3 370.409 0.959 10 0 FCAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@@H]1CCC(=O)N(C)C1 ZINC000451213686 489492824 /nfs/dbraw/zinc/49/28/24/489492824.db2.gz AVPFWMLRGKESIF-RKDXNWHRSA-N -1 3 360.354 0.411 10 0 FCAEHM CCOc1ccncc1S(=O)(=O)[N-]Cc1cccc(OCC(N)=O)c1 ZINC000451253887 489495194 /nfs/dbraw/zinc/49/51/94/489495194.db2.gz KGWFJBZRIFJTFU-UHFFFAOYSA-N -1 3 365.411 0.823 10 0 FCAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CC[C@H](C)[S@@](C)=O ZINC000451324756 489499013 /nfs/dbraw/zinc/49/90/13/489499013.db2.gz MFXAMAJKLKYDIP-URNOHEEXSA-N -1 3 367.411 0.947 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C[C@@H]1CCN(C)C(=O)C1 ZINC000425182654 489517828 /nfs/dbraw/zinc/51/78/28/489517828.db2.gz KMNZWTUYFVXERG-LLVKDONJSA-N -1 3 358.416 0.830 10 0 FCAEHM O=C(CS(=O)(=O)c1nc2c([n-]1)CCC2)N1CCO[C@H]2CCCC[C@@H]21 ZINC000555617912 491260299 /nfs/dbraw/zinc/26/02/99/491260299.db2.gz OAEFWKVGIGTPAH-KBPBESRZSA-N -1 3 353.444 0.842 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000372349548 489573834 /nfs/dbraw/zinc/57/38/34/489573834.db2.gz JQSWXEZUBASGMW-MFKMUULPSA-N -1 3 350.806 0.881 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCCCn1cc(CO)nn1 ZINC000426681839 489579695 /nfs/dbraw/zinc/57/96/95/489579695.db2.gz CKTDHEBRROYZAE-UHFFFAOYSA-N -1 3 371.401 0.455 10 0 FCAEHM CCS(=O)(=O)NCCC[N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C ZINC000416381087 489587120 /nfs/dbraw/zinc/58/71/20/489587120.db2.gz GHQMUVKSQHILBF-LLVKDONJSA-N -1 3 364.493 0.388 10 0 FCAEHM COC(=O)c1cc(C(C)(C)NC(=O)CNC(=O)c2cccc([O-])c2)no1 ZINC000427037058 489591864 /nfs/dbraw/zinc/59/18/64/489591864.db2.gz UAFMSHFYTMCQHV-UHFFFAOYSA-N -1 3 361.354 0.948 10 0 FCAEHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-][C@@H]3CCCN(CCCO)C3)cn21 ZINC000416489246 489600553 /nfs/dbraw/zinc/60/05/53/489600553.db2.gz PWLZZROLTMJOBB-ZIAGYGMSSA-N -1 3 356.492 0.906 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCC[C@@H]2C(=O)OC)c(C)o1 ZINC000456128623 489607732 /nfs/dbraw/zinc/60/77/32/489607732.db2.gz APAJXBNDVCNORN-CMPLNLGQSA-N -1 3 358.416 0.958 10 0 FCAEHM O=S(=O)([N-]C[C@@H](O)Cn1ccnn1)c1ccc(C(F)(F)F)cc1F ZINC000416551528 489609088 /nfs/dbraw/zinc/60/90/88/489609088.db2.gz SGFJQFZLDNMAOP-SECBINFHSA-N -1 3 368.312 0.775 10 0 FCAEHM O=S(=O)([N-]C[C@H](O)Cn1ccnn1)c1c(Cl)cccc1Cl ZINC000416559147 489609849 /nfs/dbraw/zinc/60/98/49/489609849.db2.gz JLQZAJYIQJXNNA-QMMMGPOBSA-N -1 3 351.215 0.924 10 0 FCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000428056514 489635366 /nfs/dbraw/zinc/63/53/66/489635366.db2.gz MOVBDNKHQOEMED-GHMZBOCLSA-N -1 3 359.382 0.714 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCN(CCO)[C@H](C)C1 ZINC000428147242 489639353 /nfs/dbraw/zinc/63/93/53/489639353.db2.gz RWLFNVZPJUMKDC-OLZOCXBDSA-N -1 3 373.450 0.018 10 0 FCAEHM CNC(=O)[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C(C)C ZINC000428247121 489642759 /nfs/dbraw/zinc/64/27/59/489642759.db2.gz PLLKKJYRVSMBLT-NSHDSACASA-N -1 3 367.880 0.567 10 0 FCAEHM CON1CCC(N(C)C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)CC1 ZINC000457318421 489644162 /nfs/dbraw/zinc/64/41/62/489644162.db2.gz FLBBZRYVQUOBCS-LBPRGKRZSA-N -1 3 373.450 0.977 10 0 FCAEHM Cn1nnc(CNC(=O)c2c[n-]c3ccc(Br)cc3c2=O)n1 ZINC000428535708 489653035 /nfs/dbraw/zinc/65/30/35/489653035.db2.gz QPYVYNJCMUIHDY-UHFFFAOYSA-N -1 3 363.175 0.744 10 0 FCAEHM COCCN(C(=O)CNC(=O)c1c[n-]c2ccccc2c1=O)[C@H]1CCOC1 ZINC000428548020 489653056 /nfs/dbraw/zinc/65/30/56/489653056.db2.gz DMZIPVZBCXQCDM-ZDUSSCGKSA-N -1 3 373.409 0.522 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCc1cc(C(N)=O)co1 ZINC000428690419 489660891 /nfs/dbraw/zinc/66/08/91/489660891.db2.gz SEMSAAHVDKSGPQ-QMMMGPOBSA-N -1 3 357.413 0.423 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N[C@H]3C[C@H]3c3ccccc3)cnc21 ZINC000488969307 489689602 /nfs/dbraw/zinc/68/96/02/489689602.db2.gz LGCSGURDGZKYKI-JSGCOSHPSA-N -1 3 372.406 0.869 10 0 FCAEHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000430224711 489725537 /nfs/dbraw/zinc/72/55/37/489725537.db2.gz WHFQMJBKWBJUFM-UWVGGRQHSA-N -1 3 367.427 0.976 10 0 FCAEHM NC(=O)COc1ccc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cc1 ZINC000473903403 489742850 /nfs/dbraw/zinc/74/28/50/489742850.db2.gz HGQAJISJWZTAMO-UHFFFAOYSA-N -1 3 352.354 0.907 10 0 FCAEHM NC(=O)COc1ccc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cc1 ZINC000473903403 489742854 /nfs/dbraw/zinc/74/28/54/489742854.db2.gz HGQAJISJWZTAMO-UHFFFAOYSA-N -1 3 352.354 0.907 10 0 FCAEHM CC(C)S(=O)(=O)Cc1cccc(NC(=O)CN2CC(=O)[N-]C2=O)c1 ZINC000490130382 489749874 /nfs/dbraw/zinc/74/98/74/489749874.db2.gz KSLOGMAGKLNSRX-UHFFFAOYSA-N -1 3 353.400 0.500 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCc1cc2c(cc1OC(F)F)OCO2 ZINC000490400163 489765341 /nfs/dbraw/zinc/76/53/41/489765341.db2.gz MFZMUAIQKQUPMT-ZETCQYMHSA-N -1 3 357.269 0.231 10 0 FCAEHM COc1cnccc1[C@H](C)NC(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000474618115 489774991 /nfs/dbraw/zinc/77/49/91/489774991.db2.gz BXETZCACVXMJJI-JTQLQIEISA-N -1 3 367.431 0.288 10 0 FCAEHM COc1cnccc1[C@@H](C)NC(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000474618118 489775099 /nfs/dbraw/zinc/77/50/99/489775099.db2.gz BXETZCACVXMJJI-SNVBAGLBSA-N -1 3 367.431 0.288 10 0 FCAEHM C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)c1cn(C)c(=O)[n-]c1=O ZINC000490934332 489790686 /nfs/dbraw/zinc/79/06/86/489790686.db2.gz MTUFKQGNRGAWQJ-SNVBAGLBSA-N -1 3 355.354 0.014 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)c2c[nH]c(C(=O)OC)c2)s1 ZINC000431754075 489817953 /nfs/dbraw/zinc/81/79/53/489817953.db2.gz XMBLJEVFXRRFBU-UHFFFAOYSA-N -1 3 357.413 0.701 10 0 FCAEHM Cc1cccc(-n2cc(C(=O)N3CCC[C@]4(C3)NC(=O)[N-]C4=O)nn2)c1 ZINC000377039081 489841469 /nfs/dbraw/zinc/84/14/69/489841469.db2.gz DNBAIIAMGCJLEW-QGZVFWFLSA-N -1 3 354.370 0.390 10 0 FCAEHM CN(C)C(=O)C1(C(=O)NCc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)CC1 ZINC000493685258 489854082 /nfs/dbraw/zinc/85/40/82/489854082.db2.gz IARSJJZXOUPCQA-QGZVFWFLSA-N -1 3 358.398 0.226 10 0 FCAEHM CC(C)[C@](C)(CO)NC(=O)NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000460354199 489864329 /nfs/dbraw/zinc/86/43/29/489864329.db2.gz SRUFSVMJXBSUOZ-ZWKOTPCHSA-N -1 3 362.430 0.947 10 0 FCAEHM C[C@H](CCNC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)[S@](C)=O ZINC000493947045 489864494 /nfs/dbraw/zinc/86/44/94/489864494.db2.gz QWBXTMQSWBITBJ-XATDYGRISA-N -1 3 351.428 0.628 10 0 FCAEHM COC[C@@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)[C@@H]1CCCO1 ZINC000433450081 489884601 /nfs/dbraw/zinc/88/46/01/489884601.db2.gz KUXCWNCHSSOMMP-NEPJUHHUSA-N -1 3 363.457 0.562 10 0 FCAEHM O=C1[N-]C(=O)N2CCN(S(=O)(=O)c3ccc4ncsc4c3)C[C@H]12 ZINC000476507498 489895896 /nfs/dbraw/zinc/89/58/96/489895896.db2.gz JVGDCXIHNIQHIB-SNVBAGLBSA-N -1 3 352.397 0.221 10 0 FCAEHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC2(CCO)CC2)cc1F ZINC000494558731 489896420 /nfs/dbraw/zinc/89/64/20/489896420.db2.gz AONLHEXJHRAQJS-UHFFFAOYSA-N -1 3 351.421 0.670 10 0 FCAEHM COC(=O)C[C@](C)(NC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1cccc(F)c1 ZINC000476772683 489915209 /nfs/dbraw/zinc/91/52/09/489915209.db2.gz XMCAAXGGBVLNDU-ZBEGNZNMSA-N -1 3 351.334 0.318 10 0 FCAEHM COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CCO1 ZINC000377533809 489916280 /nfs/dbraw/zinc/91/62/80/489916280.db2.gz MOQQTPSOOVCEOY-HIFRSBDPSA-N -1 3 362.382 0.397 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCNC[C@@H]1C(F)F ZINC000377559510 489919826 /nfs/dbraw/zinc/91/98/26/489919826.db2.gz DFXHADCGJDUEFP-CYBMUJFWSA-N -1 3 363.368 0.748 10 0 FCAEHM COC(=O)C[C@@](C)(NC(=O)CN1CC(=O)[N-]C1=O)c1cccc(OC)c1 ZINC000495182596 489929408 /nfs/dbraw/zinc/92/94/08/489929408.db2.gz HFXVXNJIOJBFEG-QGZVFWFLSA-N -1 3 363.370 0.142 10 0 FCAEHM COC(=O)[C@H](C[C@H]1CCCc2ccccc21)NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000461743980 489932688 /nfs/dbraw/zinc/93/26/88/489932688.db2.gz BFYUYKFHXMRKEM-SNPRPXQTSA-N -1 3 373.409 0.753 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]C[C@H](N1CCOCC1)C(F)(F)F)C1CC1 ZINC000571161410 491289247 /nfs/dbraw/zinc/28/92/47/491289247.db2.gz KDDSAHBFHJWUBA-NEPJUHHUSA-N -1 3 360.398 0.594 10 0 FCAEHM CC1(C)[C@@H](O)CCN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000462149228 489960947 /nfs/dbraw/zinc/96/09/47/489960947.db2.gz PUKRUCYUDKNRCZ-LBPRGKRZSA-N -1 3 366.436 0.731 10 0 FCAEHM COCCCN(C)CC[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000462493415 489978273 /nfs/dbraw/zinc/97/82/73/489978273.db2.gz JARKURJFNTWDAM-UHFFFAOYSA-N -1 3 364.489 0.337 10 0 FCAEHM COCC[C@H](COC)NC(=O)N1CCC[C@H]1C[C@@]1(C)NC(=O)[N-]C1=O ZINC000462517583 489980039 /nfs/dbraw/zinc/98/00/39/489980039.db2.gz MKAUDSGJRZTETH-BFQNTYOBSA-N -1 3 356.423 0.200 10 0 FCAEHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c1 ZINC000462580990 489983815 /nfs/dbraw/zinc/98/38/15/489983815.db2.gz OBRLJXAJIXJIAY-GDPRMGEGSA-N -1 3 358.441 0.822 10 0 FCAEHM CNC(=O)c1ccc(C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)cn1 ZINC000436617676 490010021 /nfs/dbraw/zinc/01/00/21/490010021.db2.gz JDMIFWCVPUIJMW-UHFFFAOYSA-N -1 3 355.354 0.590 10 0 FCAEHM CNS(=O)(=O)CCC[S@](=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000478352064 490016142 /nfs/dbraw/zinc/01/61/42/490016142.db2.gz DNUWXMRBYFZIJY-NRFANRHFSA-N -1 3 361.367 0.389 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC[C@@H](O)COCC1CC1 ZINC000478736060 490034748 /nfs/dbraw/zinc/03/47/48/490034748.db2.gz RZXVYYRUIPJBHM-WCQYABFASA-N -1 3 374.434 0.396 10 0 FCAEHM CN(C)c1nccc(NCC[N-]S(=O)(=O)c2ccc(F)cc2F)n1 ZINC000440654145 490048656 /nfs/dbraw/zinc/04/86/56/490048656.db2.gz MCBLBUZYFXDRHZ-UHFFFAOYSA-N -1 3 357.386 1.211 10 0 FCAEHM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CCCN2CCOC)o1 ZINC000479230138 490076088 /nfs/dbraw/zinc/07/60/88/490076088.db2.gz WJXPGBOPDLALLM-GFCCVEGCSA-N -1 3 360.432 0.845 10 0 FCAEHM CCO[C@H]1C[C@@]([N-]S(=O)(=O)N(C)CCOC)(C(=O)OC)C1(C)C ZINC000444274389 490079160 /nfs/dbraw/zinc/07/91/60/490079160.db2.gz AWHXKPSINHRMFG-SMDDNHRTSA-N -1 3 352.453 0.146 10 0 FCAEHM CNC(=O)[C@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000421956888 490118555 /nfs/dbraw/zinc/11/85/55/490118555.db2.gz YMBWVLMYSIVERX-QMMMGPOBSA-N -1 3 365.864 0.274 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)cc1F ZINC000445048699 490123455 /nfs/dbraw/zinc/12/34/55/490123455.db2.gz ILEUCYJWZXMERW-IMSIIYSGSA-N -1 3 370.402 0.900 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@H]2CCCN(c3cccnc3)C2=O)nc1Cl ZINC000378652618 490124059 /nfs/dbraw/zinc/12/40/59/490124059.db2.gz VPTTWYMBMYXNOF-NSHDSACASA-N -1 3 369.834 0.942 10 0 FCAEHM Cc1nc(C)c(CC(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)c(=O)[n-]1 ZINC000506686875 490127346 /nfs/dbraw/zinc/12/73/46/490127346.db2.gz KWIWLFVPDLNENK-AAEUAGOBSA-N -1 3 356.448 0.176 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-]Cc2nnc3ccccn32)c(C)o1 ZINC000532855183 490129263 /nfs/dbraw/zinc/12/92/63/490129263.db2.gz NEBDVNMCVOYZRS-UHFFFAOYSA-N -1 3 350.356 0.896 10 0 FCAEHM CCc1nncn1CC[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000564344277 491302186 /nfs/dbraw/zinc/30/21/86/491302186.db2.gz XJKCEQIWNLMXRS-UHFFFAOYSA-N -1 3 356.404 0.815 10 0 FCAEHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC1(CO)CC1 ZINC000445737840 490144411 /nfs/dbraw/zinc/14/44/11/490144411.db2.gz AJIYQEQHFGMFNP-UHFFFAOYSA-N -1 3 362.473 0.378 10 0 FCAEHM Cc1nc(CNC(=O)NCc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)no1 ZINC000465836200 490144434 /nfs/dbraw/zinc/14/44/34/490144434.db2.gz FZRYDYMSGDYNJA-INIZCTEOSA-N -1 3 358.358 0.432 10 0 FCAEHM C[C@H](CCNC(=O)NCC[N-]S(=O)(=O)c1cccs1)[S@](C)=O ZINC000446891137 490169181 /nfs/dbraw/zinc/16/91/81/490169181.db2.gz UPKNJCNHTSMLAL-UZJPJQLHSA-N -1 3 367.518 0.483 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)c2cc(C(=O)OC)co2)s1 ZINC000546063303 490182923 /nfs/dbraw/zinc/18/29/23/490182923.db2.gz DVWJSWWULZEKOQ-UHFFFAOYSA-N -1 3 358.397 0.966 10 0 FCAEHM CN(C)c1nc(C(=O)N2CCC[C@@H]2C(=O)N2CCSCC2)cc(=O)[n-]1 ZINC000407987801 490194547 /nfs/dbraw/zinc/19/45/47/490194547.db2.gz FFPFASDQMLIOJC-GFCCVEGCSA-N -1 3 365.459 0.428 10 0 FCAEHM Cc1cc(NC(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)cc(OCCO)c1 ZINC000447168609 490194598 /nfs/dbraw/zinc/19/45/98/490194598.db2.gz NBINUWKPSXDINU-UHFFFAOYSA-N -1 3 370.365 0.966 10 0 FCAEHM O=C(NCCOCc1ccc(Cl)cc1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000546143551 490195493 /nfs/dbraw/zinc/19/54/93/490195493.db2.gz UAJHJNCBWAAGPZ-ZDUSSCGKSA-N -1 3 366.805 0.802 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)N[C@H](CCOC)COC)ccc1F ZINC000564439445 491306734 /nfs/dbraw/zinc/30/67/34/491306734.db2.gz QTPXERAXMXCNGL-LLVKDONJSA-N -1 3 363.411 0.907 10 0 FCAEHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N(C)Cc1nnnn1C ZINC000466695623 490204461 /nfs/dbraw/zinc/20/44/61/490204461.db2.gz NZSDPZCPFXUION-UHFFFAOYSA-N -1 3 352.376 0.045 10 0 FCAEHM COc1cc(C)c(NC(=O)C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)cc1C ZINC000447230360 490204569 /nfs/dbraw/zinc/20/45/69/490204569.db2.gz RMVCYMALXBONGN-GFCCVEGCSA-N -1 3 360.370 0.013 10 0 FCAEHM C[C@@]1(C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)CCCN1C(=O)c1ccccc1 ZINC000408033283 490218907 /nfs/dbraw/zinc/21/89/07/490218907.db2.gz JXHSKMQBEAVQSI-LIRRHRJNSA-N -1 3 370.409 0.444 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1ccc(I)cc1 ZINC000521057461 490218974 /nfs/dbraw/zinc/21/89/74/490218974.db2.gz VAURVIOAKJNMKK-UHFFFAOYSA-N -1 3 359.123 0.782 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NCc1ccc(Cn2ccccc2=O)cc1 ZINC000521052916 490219201 /nfs/dbraw/zinc/21/92/01/490219201.db2.gz MINZBLUSGWVOPH-UHFFFAOYSA-N -1 3 354.366 0.065 10 0 FCAEHM C[C@@]1(C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)CCCN1C(=O)c1ccccc1 ZINC000408033282 490219943 /nfs/dbraw/zinc/21/99/43/490219943.db2.gz JXHSKMQBEAVQSI-KUHUBIRLSA-N -1 3 370.409 0.444 10 0 FCAEHM CNC(=O)CN(C)C(=O)c1c(C)oc2[n-]c(=O)n(-c3ccccc3)c(=O)c21 ZINC000521165107 490232048 /nfs/dbraw/zinc/23/20/48/490232048.db2.gz KRVLSVMDZZVVST-UHFFFAOYSA-N -1 3 370.365 0.811 10 0 FCAEHM CC(=O)N1CCN(C(=O)NCC[N-]S(=O)(=O)c2cccs2)[C@H](C)C1 ZINC000533477689 490243162 /nfs/dbraw/zinc/24/31/62/490243162.db2.gz NNHGOBLNMVDTRP-LLVKDONJSA-N -1 3 374.488 0.289 10 0 FCAEHM Cn1ccnc1CN1CCC[C@@H]([N-]S(=O)(=O)c2cscn2)C1=O ZINC000521431282 490259357 /nfs/dbraw/zinc/25/93/57/490259357.db2.gz NGBGNBJPLYTHLP-SNVBAGLBSA-N -1 3 355.445 0.346 10 0 FCAEHM CCOC(=O)c1cnc(C)c(C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000447760506 490269542 /nfs/dbraw/zinc/26/95/42/490269542.db2.gz NMWHHXVONQSGOI-KRWDZBQOSA-N -1 3 360.370 0.381 10 0 FCAEHM O=C(N[C@H]1CCN(c2ccc(F)cc2)C1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000521578764 490276515 /nfs/dbraw/zinc/27/65/15/490276515.db2.gz LICRIUAXXWVRIY-JSGCOSHPSA-N -1 3 361.377 0.350 10 0 FCAEHM COc1ccc(Br)c(CNC(=O)C[C@@H]2NC(=O)[N-]C2=O)c1 ZINC000483101386 490281426 /nfs/dbraw/zinc/28/14/26/490281426.db2.gz SKHAEMMZXQEHMT-JTQLQIEISA-N -1 3 356.176 0.672 10 0 FCAEHM C[C@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000483131412 490284089 /nfs/dbraw/zinc/28/40/89/490284089.db2.gz RYCQYEPRXDDGME-HZMBPMFUSA-N -1 3 374.397 0.119 10 0 FCAEHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCc1csc(N2CCCC2)n1 ZINC000467542548 490309772 /nfs/dbraw/zinc/30/97/72/490309772.db2.gz KIYXMGPWYBAFIG-UHFFFAOYSA-N -1 3 350.404 0.499 10 0 FCAEHM C[C@@H]1C[C@H](C)CN(S(=O)(=O)[N-][C@H]2CCCN(c3ccnn3C)C2=O)C1 ZINC000408383575 490321172 /nfs/dbraw/zinc/32/11/72/490321172.db2.gz AIJQZJNSALPUCD-MJBXVCDLSA-N -1 3 369.491 0.728 10 0 FCAEHM CCn1nccc1N1CCC[C@@H]([N-]S(=O)(=O)N2CCC(C)CC2)C1=O ZINC000408386710 490323147 /nfs/dbraw/zinc/32/31/47/490323147.db2.gz RFRPGSDIGBAWQK-CQSZACIVSA-N -1 3 369.491 0.965 10 0 FCAEHM CC(=O)N1CSC[C@@H]1C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000408410319 490329558 /nfs/dbraw/zinc/32/95/58/490329558.db2.gz NUXXVLWTYCWZDK-CQSZACIVSA-N -1 3 363.439 0.598 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@H]1CCCCC[C@H]1C(N)=O ZINC000467757093 490336816 /nfs/dbraw/zinc/33/68/16/490336816.db2.gz WVUBMYHRENFNTK-TUAOUCFPSA-N -1 3 373.500 0.965 10 0 FCAEHM O=C(Cc1ccc(Br)cc1[O-])NCCN1CCNC(=O)C1 ZINC000498813900 490344563 /nfs/dbraw/zinc/34/45/63/490344563.db2.gz YVSIENAPQHNGCG-UHFFFAOYSA-N -1 3 356.220 0.245 10 0 FCAEHM Cc1ccn(C)c(=O)c1[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000467927680 490350152 /nfs/dbraw/zinc/35/01/52/490350152.db2.gz QKNWTVPLHQDKGR-UHFFFAOYSA-N -1 3 356.425 0.898 10 0 FCAEHM C[C@@]1(c2ccc(C(=O)N3CCSC[C@@H]3CCO)cc2)NC(=O)[N-]C1=O ZINC000534344509 490357038 /nfs/dbraw/zinc/35/70/38/490357038.db2.gz BTXXYQWLFNLLQB-GUYCJALGSA-N -1 3 363.439 0.681 10 0 FCAEHM CCOC(=O)c1cc(C(=O)[N-]c2cnc3c(c2)c(=O)n(C)c(=O)n3C)on1 ZINC000448619941 490368478 /nfs/dbraw/zinc/36/84/78/490368478.db2.gz BDGVPMZRBDMSFS-UHFFFAOYSA-N -1 3 373.325 0.049 10 0 FCAEHM CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000564704191 491321351 /nfs/dbraw/zinc/32/13/51/491321351.db2.gz KPJBXQLFVVZOKV-KXBFYZLASA-N -1 3 370.409 0.160 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)CCN2c3ccccc3OCC2=O)nc1=N ZINC000571660105 491321649 /nfs/dbraw/zinc/32/16/49/491321649.db2.gz AMPYUSBZZCIKBK-ZDUSSCGKSA-N -1 3 370.413 0.707 10 0 FCAEHM CN(Cc1cnccn1)C(=O)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000522729293 490398525 /nfs/dbraw/zinc/39/85/25/490398525.db2.gz USXHVIBJNBPROK-UHFFFAOYSA-N -1 3 351.366 0.707 10 0 FCAEHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C[C@]1(CCO)CCOC1 ZINC000534741639 490404848 /nfs/dbraw/zinc/40/48/48/490404848.db2.gz FHWCXGQKAFIGNE-HNNXBMFYSA-N -1 3 361.391 0.680 10 0 FCAEHM Cc1cc(S(=O)(=O)[N-]CCS(=O)(=O)N(C)C)c(Cl)cc1F ZINC000564759617 491324910 /nfs/dbraw/zinc/32/49/10/491324910.db2.gz BBIBYVCDRZBULE-UHFFFAOYSA-N -1 3 358.844 0.957 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)[C@@H](C)CN1CCO ZINC000571744231 491326122 /nfs/dbraw/zinc/32/61/22/491326122.db2.gz VZSNLESFYRTCKF-QHRIQVFBSA-N -1 3 374.441 0.268 10 0 FCAEHM Cc1nc(C(=O)NCC[N-]S(=O)(=O)c2cccs2)c(=O)[nH]c1C ZINC000535017624 490438281 /nfs/dbraw/zinc/43/82/81/490438281.db2.gz YNEWFIRYLXPPHT-UHFFFAOYSA-N -1 3 356.429 0.569 10 0 FCAEHM Cc1ccc(Cl)c(NC(=O)C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)c1C ZINC000411414512 490453053 /nfs/dbraw/zinc/45/30/53/490453053.db2.gz AUZWYUXTKKZYCY-LLVKDONJSA-N -1 3 364.789 0.658 10 0 FCAEHM CS(=O)(=O)c1ccc(C[N-]S(=O)(=O)c2cccc(C(N)=O)c2)s1 ZINC000469008259 490476586 /nfs/dbraw/zinc/47/65/86/490476586.db2.gz PHCSWTUNOFFWQC-UHFFFAOYSA-N -1 3 374.465 0.729 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000523580607 490476696 /nfs/dbraw/zinc/47/66/96/490476696.db2.gz XVKARAZEXGNZSG-GHMZBOCLSA-N -1 3 352.188 0.973 10 0 FCAEHM Cc1noc(CCNC(=O)NCc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)n1 ZINC000523638194 490480085 /nfs/dbraw/zinc/48/00/85/490480085.db2.gz CIWHETYJRUSUTM-QGZVFWFLSA-N -1 3 372.385 0.475 10 0 FCAEHM COC(=O)[C@@H]1CC[C@H](C(=O)NCc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)C1 ZINC000411865951 490488370 /nfs/dbraw/zinc/48/83/70/490488370.db2.gz WQOOGTLHKKXHRL-XEKQOVJPSA-N -1 3 373.409 0.947 10 0 FCAEHM Cc1cnc(N)c(S(=O)(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000510488456 490521590 /nfs/dbraw/zinc/52/15/90/490521590.db2.gz KKLODROCIATUEJ-BMIGLBTASA-N -1 3 367.431 0.114 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccc(F)c(F)c1)N1C[C@H](O)C2(CC2)C1 ZINC000548651522 490522092 /nfs/dbraw/zinc/52/20/92/490522092.db2.gz WCRKEEUWKUIDNN-ZDUSSCGKSA-N -1 3 360.382 0.617 10 0 FCAEHM CC(C)[C@@H]1C[C@H](CNC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)CCO1 ZINC000571853124 491333216 /nfs/dbraw/zinc/33/32/16/491333216.db2.gz ORDHEYGXTKNIBS-OLZOCXBDSA-N -1 3 358.464 0.266 10 0 FCAEHM CN(CC(N)=O)C(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000510800143 490541544 /nfs/dbraw/zinc/54/15/44/490541544.db2.gz VXCOCCXICVYBAW-UHFFFAOYSA-N -1 3 357.413 0.377 10 0 FCAEHM CC(C)(C)N1CC[C@H]([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)C1=O ZINC000564905029 491334977 /nfs/dbraw/zinc/33/49/77/491334977.db2.gz LGUQKLUBKMRTRZ-NSHDSACASA-N -1 3 374.484 0.768 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)Nc2ccc(N(C)C)nc2)cn1C ZINC000510910476 490548506 /nfs/dbraw/zinc/54/85/06/490548506.db2.gz CJBVHJYPEYSPNV-UHFFFAOYSA-N -1 3 352.420 0.107 10 0 FCAEHM COc1nc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)n[n-]1 ZINC000536107312 490554747 /nfs/dbraw/zinc/55/47/47/490554747.db2.gz OVWVTKJPOYYIIT-UHFFFAOYSA-N -1 3 368.371 0.387 10 0 FCAEHM COc1nnc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)[n-]1 ZINC000536107312 490554749 /nfs/dbraw/zinc/55/47/49/490554749.db2.gz OVWVTKJPOYYIIT-UHFFFAOYSA-N -1 3 368.371 0.387 10 0 FCAEHM COc1n[n-]c(NC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)n1 ZINC000536107312 490554751 /nfs/dbraw/zinc/55/47/51/490554751.db2.gz OVWVTKJPOYYIIT-UHFFFAOYSA-N -1 3 368.371 0.387 10 0 FCAEHM CC(=O)NCCNC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000511088499 490560904 /nfs/dbraw/zinc/56/09/04/490560904.db2.gz AMVWSAYOVJZCKL-UHFFFAOYSA-N -1 3 371.440 0.686 10 0 FCAEHM CN(C)C(=O)CNC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000511106236 490562459 /nfs/dbraw/zinc/56/24/59/490562459.db2.gz NPUZZCSSOVZKSK-UHFFFAOYSA-N -1 3 371.440 0.638 10 0 FCAEHM Cc1cc(CS(=O)(=O)[N-]C[C@@H](Cc2ccc(F)cc2)C(N)=O)on1 ZINC000485883673 490566485 /nfs/dbraw/zinc/56/64/85/490566485.db2.gz PVPZWMYGBRTWQH-GFCCVEGCSA-N -1 3 355.391 0.886 10 0 FCAEHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H](C)Cn2cncn2)c1 ZINC000485962000 490576250 /nfs/dbraw/zinc/57/62/50/490576250.db2.gz KUNSQHRKKYKOPP-JTQLQIEISA-N -1 3 356.379 0.961 10 0 FCAEHM COC(=O)c1cncc(NC(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)c1 ZINC000511326859 490581492 /nfs/dbraw/zinc/58/14/92/490581492.db2.gz SRHZTLZBJUPUNW-UHFFFAOYSA-N -1 3 355.310 0.468 10 0 FCAEHM Cc1ccsc1[C@@H](CO)NC(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000536505972 490584918 /nfs/dbraw/zinc/58/49/18/490584918.db2.gz IYIQPSKSFJVXFD-LLVKDONJSA-N -1 3 372.472 0.227 10 0 FCAEHM CO[C@@H](C)CN(C(=O)Cn1cc(Br)c(=O)[n-]c1=O)C(C)C ZINC000525391493 490602583 /nfs/dbraw/zinc/60/25/83/490602583.db2.gz LBPOTECBNVEYDL-VIFPVBQESA-N -1 3 362.224 0.983 10 0 FCAEHM O=C(c1ccccc1)N1CC(S(=O)(=O)[N-]C[C@@H](O)C(F)(F)F)C1 ZINC000501443936 490604901 /nfs/dbraw/zinc/60/49/01/490604901.db2.gz WTFKADXTBVQZMB-LLVKDONJSA-N -1 3 352.334 0.354 10 0 FCAEHM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCCN(C)C3)C[C@H]1C(=O)[O-] ZINC000564976718 491342657 /nfs/dbraw/zinc/34/26/57/491342657.db2.gz UTRDFTFFMGXKOG-LBTNJELSSA-N -1 3 351.447 0.500 10 0 FCAEHM COc1ccc2c(c1)CCN2C(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000512075561 490655643 /nfs/dbraw/zinc/65/56/43/490655643.db2.gz JHTXJBJSCOQDLU-UHFFFAOYSA-N -1 3 364.427 0.605 10 0 FCAEHM C[C@@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)c1ccc2c(c1)OCO2 ZINC000502477854 490706225 /nfs/dbraw/zinc/70/62/25/490706225.db2.gz FEOHNLVJVRATTL-SNVBAGLBSA-N -1 3 366.399 0.305 10 0 FCAEHM O=C(CCC(=O)N1CCN(c2ccccn2)CC1)NCc1ncccc1[O-] ZINC000527192000 490707101 /nfs/dbraw/zinc/70/71/01/490707101.db2.gz SVQQKQRHDAJFQZ-UHFFFAOYSA-N -1 3 369.425 0.927 10 0 FCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000487415125 490711754 /nfs/dbraw/zinc/71/17/54/490711754.db2.gz VBSOTVHSNOUVLD-RKDXNWHRSA-N -1 3 364.370 0.699 10 0 FCAEHM O=C(N[C@H]1[C@@H]2COC[C@@H]21)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000527269670 490712614 /nfs/dbraw/zinc/71/26/14/490712614.db2.gz BUWSZFWANHLSNE-ZSHCYNCHSA-N -1 3 359.407 0.679 10 0 FCAEHM CN1CCN(C)[C@@H](C[N-]S(=O)(=O)c2cnccc2C(F)(F)F)C1 ZINC000527485442 490729178 /nfs/dbraw/zinc/72/91/78/490729178.db2.gz OYURKAWHPLWIJT-JTQLQIEISA-N -1 3 352.382 0.625 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CCO[C@H](C(=O)C2CC2)C1 ZINC000513719103 490744336 /nfs/dbraw/zinc/74/43/36/490744336.db2.gz UKQXCMVCCXNOAI-LBPRGKRZSA-N -1 3 372.468 0.623 10 0 FCAEHM CC(C)n1cnc(S(=O)(=O)[N-]Cc2ccc(S(N)(=O)=O)cc2)c1 ZINC000513796822 490747822 /nfs/dbraw/zinc/74/78/22/490747822.db2.gz AZFOQJZADHMVNE-UHFFFAOYSA-N -1 3 358.445 0.590 10 0 FCAEHM O=C(Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1)c1cn2cccnc2n1 ZINC000538822440 490751479 /nfs/dbraw/zinc/75/14/79/490751479.db2.gz ZXSNYMJHGBNXDR-GFCCVEGCSA-N -1 3 350.338 0.732 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)COc2ccc3c(c2)CCC(=O)N3)nc1=N ZINC000565094031 491353312 /nfs/dbraw/zinc/35/33/12/491353312.db2.gz QSQDFRIXBUKKNG-AWEZNQCLSA-N -1 3 370.413 0.855 10 0 FCAEHM COC(=O)c1cccc2nc(NC(=O)CN3C(=O)NC(=O)C3(C)C)[n-]c21 ZINC000503595946 490765366 /nfs/dbraw/zinc/76/53/66/490765366.db2.gz LKTGHMJJKZXEBR-UHFFFAOYSA-N -1 3 359.342 0.618 10 0 FCAEHM COC(=O)c1cccc2[n-]c(NC(=O)CN3C(=O)NC(=O)C3(C)C)nc21 ZINC000503595946 490765368 /nfs/dbraw/zinc/76/53/68/490765368.db2.gz LKTGHMJJKZXEBR-UHFFFAOYSA-N -1 3 359.342 0.618 10 0 FCAEHM CN(C)c1ncc(NC(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)cn1 ZINC000503617240 490767601 /nfs/dbraw/zinc/76/76/01/490767601.db2.gz QEDYSQWQQASWPK-UHFFFAOYSA-N -1 3 366.381 0.753 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 ZINC000528286428 490785133 /nfs/dbraw/zinc/78/51/33/490785133.db2.gz NAPMXRDUVJOGLR-CHWSQXEVSA-N -1 3 351.421 0.620 10 0 FCAEHM CCn1ncc(C[N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)n1 ZINC000528446656 490798265 /nfs/dbraw/zinc/79/82/65/490798265.db2.gz VGQYNNCKSLCSKO-UHFFFAOYSA-N -1 3 353.379 0.800 10 0 FCAEHM CCn1ncc(C[N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2OC)n1 ZINC000528445377 490798394 /nfs/dbraw/zinc/79/83/94/490798394.db2.gz DHHVHNQQMTZEAO-UHFFFAOYSA-N -1 3 374.444 0.189 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)NC[C@@H]3CC[C@@H]4C[C@@H]4C3)cnc21 ZINC000528454954 490798914 /nfs/dbraw/zinc/79/89/14/490798914.db2.gz ZSYHWQVLFGQEOX-MXWKQRLJSA-N -1 3 364.427 0.749 10 0 FCAEHM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NS(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000528545818 490808005 /nfs/dbraw/zinc/80/80/05/490808005.db2.gz DSCQIVSEKUJRGD-SREGZZRCSA-N -1 3 368.415 0.124 10 0 FCAEHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NS(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000528545816 490808237 /nfs/dbraw/zinc/80/82/37/490808237.db2.gz DSCQIVSEKUJRGD-APOZVJGGSA-N -1 3 368.415 0.124 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCC[C@]2(CCCOC2)C1 ZINC000572294224 491361253 /nfs/dbraw/zinc/36/12/53/491361253.db2.gz DYPYTPKEQZLTBY-INIZCTEOSA-N -1 3 371.459 0.989 10 0 FCAEHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]CC(=O)NCc2ccco2)c1 ZINC000541111067 490850719 /nfs/dbraw/zinc/85/07/19/490850719.db2.gz MRDQAYBTEQCVMV-UHFFFAOYSA-N -1 3 370.358 0.800 10 0 FCAEHM CNC(=O)NC[C@@H]1CN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)CCO1 ZINC000529742384 490870823 /nfs/dbraw/zinc/87/08/23/490870823.db2.gz VDPYVGWSAOLVJB-GFCCVEGCSA-N -1 3 363.414 0.876 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC(Cc3ccco3)C2)cn1C ZINC000529858751 490879459 /nfs/dbraw/zinc/87/94/59/490879459.db2.gz GFNNFPRIWKRKBY-UHFFFAOYSA-N -1 3 366.443 0.691 10 0 FCAEHM CCN(Cc1cn(C)nn1)C(=O)NCc1ccc(S(=O)(=O)[N-]C)s1 ZINC000541963871 490880686 /nfs/dbraw/zinc/88/06/86/490880686.db2.gz BWLURFNKRLAUDB-UHFFFAOYSA-N -1 3 372.476 0.516 10 0 FCAEHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@]2(C(=O)OC)CCOC2)c1 ZINC000542046849 490883014 /nfs/dbraw/zinc/88/30/14/490883014.db2.gz UTFMQPCISPHZIW-CQSZACIVSA-N -1 3 361.347 0.223 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000529917899 490883181 /nfs/dbraw/zinc/88/31/81/490883181.db2.gz CKIIDDSGBXRVET-JTQLQIEISA-N -1 3 368.752 0.252 10 0 FCAEHM O=C(CNC(=O)c1ccc([O-])cc1)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000542456720 490897476 /nfs/dbraw/zinc/89/74/76/490897476.db2.gz QACGLOBGGBRSDM-INIZCTEOSA-N -1 3 368.393 0.829 10 0 FCAEHM CCO[C@@H]1C[C@@H](NC(=O)CNC(=O)c2cccc([O-])c2)[C@@H]1n1cccn1 ZINC000517427598 490909078 /nfs/dbraw/zinc/90/90/78/490909078.db2.gz GAZUMUVOBSVULD-INMHGKMJSA-N -1 3 358.398 0.853 10 0 FCAEHM CNC(=O)[C@@H](C)NC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000530751117 490923138 /nfs/dbraw/zinc/92/31/38/490923138.db2.gz IGNLEAXHEHMSMJ-SECBINFHSA-N -1 3 371.440 0.684 10 0 FCAEHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](CO)c1ccnn1C ZINC000518397818 490940107 /nfs/dbraw/zinc/94/01/07/490940107.db2.gz LNEWNLFBTPDBNZ-SNVBAGLBSA-N -1 3 357.363 0.358 10 0 FCAEHM Cn1cc(C(N)=O)cc1C(=O)Nc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000531261693 490949132 /nfs/dbraw/zinc/94/91/32/490949132.db2.gz XANJIFQPCQZTRN-KRWDZBQOSA-N -1 3 355.354 0.431 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NCc1ccc(OCc2ccccn2)cc1 ZINC000518885538 490954751 /nfs/dbraw/zinc/95/47/51/490954751.db2.gz WSKXETZURIFMRE-UHFFFAOYSA-N -1 3 354.366 0.829 10 0 FCAEHM C[C@@]1(c2ccc(CNC(=O)NCCCn3ccnn3)cc2)NC(=O)[N-]C1=O ZINC000544250804 490962951 /nfs/dbraw/zinc/96/29/51/490962951.db2.gz USYXWBAOFGGXHQ-KRWDZBQOSA-N -1 3 371.401 0.222 10 0 FCAEHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC[C@H](O)C(F)(F)F)cn1 ZINC000544611207 490973636 /nfs/dbraw/zinc/97/36/36/490973636.db2.gz MPLQCVZCOLOAKA-QMMMGPOBSA-N -1 3 362.351 0.077 10 0 FCAEHM CCS(=O)(=O)[N-]Cc1nc(-c2ccc(OCC(=O)N(C)C)cc2)no1 ZINC000544618799 490973939 /nfs/dbraw/zinc/97/39/39/490973939.db2.gz HCBLJTKQLDFINW-UHFFFAOYSA-N -1 3 368.415 0.643 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2CC(=O)NC[C@H]2Cc3ccccc3O2)nc1=N ZINC000519625143 490980171 /nfs/dbraw/zinc/98/01/71/490980171.db2.gz FKCYGZUEWRYZDJ-ZIAGYGMSSA-N -1 3 356.430 0.484 10 0 FCAEHM O=C(NCc1nc2ccccc2n1C1CC1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000544818100 490982721 /nfs/dbraw/zinc/98/27/21/490982721.db2.gz SNERFKSWUFYSAN-CQSZACIVSA-N -1 3 368.397 0.817 10 0 FCAEHM CN(C)CCCS(=O)(=O)[N-]C1(C(=O)OC(C)(C)C)CCOCC1 ZINC000601468729 491924187 /nfs/dbraw/zinc/92/41/87/491924187.db2.gz HBINPCCOQOKNGJ-UHFFFAOYSA-N -1 3 350.481 0.748 10 0 FCAEHM CC(C)(C)N1CCc2nc(NC(=O)CN3CC(=O)[N-]C3=O)sc2C1 ZINC000569570114 491169057 /nfs/dbraw/zinc/16/90/57/491169057.db2.gz NKEKWMXFQWXVIV-UHFFFAOYSA-N -1 3 351.432 0.790 10 0 FCAEHM O=C(c1cn(-c2ccc(Cl)cc2)nn1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000562499965 491170252 /nfs/dbraw/zinc/17/02/52/491170252.db2.gz PUEPBTAOBWDQCV-MRXNPFEDSA-N -1 3 374.788 0.735 10 0 FCAEHM CC(C)CNC(=O)Cn1cc(I)c(=O)[n-]c1=O ZINC000565430532 491376034 /nfs/dbraw/zinc/37/60/34/491376034.db2.gz DJDUBRUMSCKUCZ-UHFFFAOYSA-N -1 3 351.144 0.326 10 0 FCAEHM CNC(=O)[C@@H](C[N-]S(=O)(=O)c1ccn(C)n1)Cc1ccc(F)cc1C ZINC000572635960 491383104 /nfs/dbraw/zinc/38/31/04/491383104.db2.gz OMNPWRTWZWXNBB-CYBMUJFWSA-N -1 3 368.434 0.751 10 0 FCAEHM O=C([C@@H]1CC(=O)N(c2ccccc2)C1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000572708870 491388134 /nfs/dbraw/zinc/38/81/34/491388134.db2.gz PGCJAANUBGVBPN-XIKOKIGWSA-N -1 3 356.382 0.240 10 0 FCAEHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)CC(C)(C)C(=O)OC)[C@@H]1n1cccn1 ZINC000572903356 491401017 /nfs/dbraw/zinc/40/10/17/491401017.db2.gz NCNZCMIXAFPBAA-UPJWGTAASA-N -1 3 359.448 0.720 10 0 FCAEHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)CC(C)(C)C(=O)OC)[C@H]1n1cccn1 ZINC000572903358 491401151 /nfs/dbraw/zinc/40/11/51/491401151.db2.gz NCNZCMIXAFPBAA-YNEHKIRRSA-N -1 3 359.448 0.720 10 0 FCAEHM CCC[C@@H](C)[C@@H](CO)NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000573010257 491407276 /nfs/dbraw/zinc/40/72/76/491407276.db2.gz TVHZGYNLLBZZLW-PSASIEDQSA-N -1 3 362.224 0.625 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)NCC(C)(C)C(F)(F)F)cn1C ZINC000558710195 491442679 /nfs/dbraw/zinc/44/26/79/491442679.db2.gz OEYCSGPJCNNKEZ-UHFFFAOYSA-N -1 3 356.370 0.712 10 0 FCAEHM COc1cc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)nn1C ZINC000558800885 491446136 /nfs/dbraw/zinc/44/61/36/491446136.db2.gz PNGXJICCXUZEBS-UHFFFAOYSA-N -1 3 359.386 1.124 10 0 FCAEHM O=C(c1cc(F)cc2[n-]nnc21)N1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000558916800 491448768 /nfs/dbraw/zinc/44/87/68/491448768.db2.gz XVBYBRBFTRGOJT-UHFFFAOYSA-N -1 3 367.406 0.737 10 0 FCAEHM O=C(c1cc(F)cc2nn[n-]c21)N1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000558916800 491448769 /nfs/dbraw/zinc/44/87/69/491448769.db2.gz XVBYBRBFTRGOJT-UHFFFAOYSA-N -1 3 367.406 0.737 10 0 FCAEHM O=C(c1cc(F)cc2n[n-]nc21)N1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000558916800 491448772 /nfs/dbraw/zinc/44/87/72/491448772.db2.gz XVBYBRBFTRGOJT-UHFFFAOYSA-N -1 3 367.406 0.737 10 0 FCAEHM C[C@@H](O)CCNC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000558959048 491449893 /nfs/dbraw/zinc/44/98/93/491449893.db2.gz VLTKPJVYCQWKHJ-SECBINFHSA-N -1 3 367.830 0.828 10 0 FCAEHM CN(C)c1nc(C(=O)N(C)C[C@H](O)COCc2ccccc2)cc(=O)[n-]1 ZINC000558986143 491450275 /nfs/dbraw/zinc/45/02/75/491450275.db2.gz DKRCHCHOJCQZBJ-AWEZNQCLSA-N -1 3 360.414 0.898 10 0 FCAEHM CC(C)c1nc([C@H]2COCCN2C(=O)c2cc(=O)[n-]c(N(C)C)n2)no1 ZINC000558979638 491450349 /nfs/dbraw/zinc/45/03/49/491450349.db2.gz QKQHBTZSDKBZLA-LLVKDONJSA-N -1 3 362.390 0.968 10 0 FCAEHM CN(C)c1nc(C(=O)N(C)C[C@@H](O)COCc2ccccc2)cc(=O)[n-]1 ZINC000558986146 491450360 /nfs/dbraw/zinc/45/03/60/491450360.db2.gz DKRCHCHOJCQZBJ-CQSZACIVSA-N -1 3 360.414 0.898 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)CCNC(=O)Cc2ccccc2)nc1=N ZINC000559258437 491458891 /nfs/dbraw/zinc/45/88/91/491458891.db2.gz TXQMTZVYZDTHEY-CQSZACIVSA-N -1 3 356.430 0.640 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)CCn2cnc3ccccc3c2=O)nc1=N ZINC000559258199 491459061 /nfs/dbraw/zinc/45/90/61/491459061.db2.gz PEVLOPHNIYULBO-AWEZNQCLSA-N -1 3 367.413 0.691 10 0 FCAEHM O=S(=O)([N-][C@@H]1CCCN(c2ncccn2)C1)c1cnn2c1OCCC2 ZINC000573856744 491459542 /nfs/dbraw/zinc/45/95/42/491459542.db2.gz ORSRLWKGIIVXRQ-GFCCVEGCSA-N -1 3 364.431 0.403 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N[C@@H]1CNCCC1(F)F ZINC000573968160 491466261 /nfs/dbraw/zinc/46/62/61/491466261.db2.gz HSAGPKUUWWWCGO-SNVBAGLBSA-N -1 3 369.340 0.357 10 0 FCAEHM Cn1cnc(CCNC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000574536010 491503435 /nfs/dbraw/zinc/50/34/35/491503435.db2.gz MMFLAZWRSHBNNZ-UHFFFAOYSA-N -1 3 362.864 0.772 10 0 FCAEHM CCOC(=O)C1CCC(CC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)CC1 ZINC000567388650 491503508 /nfs/dbraw/zinc/50/35/08/491503508.db2.gz BTSISJOAYKGACT-WXRRBKDZSA-N -1 3 351.403 0.509 10 0 FCAEHM Cc1ccc(C(=O)NCC(=O)N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)cc1C ZINC000567478548 491508530 /nfs/dbraw/zinc/50/85/30/491508530.db2.gz YGHCEVVLBLFEQM-CQSZACIVSA-N -1 3 356.430 0.938 10 0 FCAEHM COCC1(CCNC(=O)N2CCC[C@H]2C[C@]2(C)NC(=O)[N-]C2=O)CC1 ZINC000567765929 491528051 /nfs/dbraw/zinc/52/80/51/491528051.db2.gz DQXQUOHQNWDDNJ-LRDDRELGSA-N -1 3 352.435 0.965 10 0 FCAEHM CC(C)n1ncc2c1C[C@H](NC(=O)N1CCN3C(=O)[N-]C(=O)[C@@H]3C1)CC2 ZINC000574951594 491530004 /nfs/dbraw/zinc/53/00/04/491530004.db2.gz KPQQIAGUTPWVOS-OCCSQVGLSA-N -1 3 360.418 0.267 10 0 FCAEHM CCN(CC)CCN(CCOC)C(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000567867092 491535875 /nfs/dbraw/zinc/53/58/75/491535875.db2.gz GHLMKDCVOVGRDV-CABCVRRESA-N -1 3 371.478 0.372 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)CNC(=O)c2cccnc2)ccc1F ZINC000560717989 491553292 /nfs/dbraw/zinc/55/32/92/491553292.db2.gz WSZQHHUBPHSFTC-UHFFFAOYSA-N -1 3 366.374 0.497 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]c1cccc([C@]2(C)NC(=O)NC2=O)c1)C1CC1 ZINC000575749254 491558148 /nfs/dbraw/zinc/55/81/48/491558148.db2.gz YJRDBBFDOYZSBM-CJNGLKHVSA-N -1 3 367.427 0.908 10 0 FCAEHM CN(C)c1nc(C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)cc(=O)[n-]1 ZINC000683408121 493350465 /nfs/dbraw/zinc/35/04/65/493350465.db2.gz JNCMOGOGDUDLDE-NSHDSACASA-N -1 3 370.413 0.356 10 0 FCAEHM C[C@]1(F)CNCCN(C(=O)NCC[N-]S(=O)(=O)c2cccs2)C1 ZINC000568231812 491561754 /nfs/dbraw/zinc/56/17/54/491561754.db2.gz OKMCJWPXRKQDCF-ZDUSSCGKSA-N -1 3 364.468 0.369 10 0 FCAEHM Cc1ccc(CNC(=O)NCC(=O)N2CCC[C@H]2c2nc(=N)n(C)[n-]2)cc1 ZINC000568316582 491569339 /nfs/dbraw/zinc/56/93/39/491569339.db2.gz HQSULTFWQSIQNM-AWEZNQCLSA-N -1 3 371.445 0.699 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@@]3(CCSC3)C2)cn1 ZINC000568516187 491582259 /nfs/dbraw/zinc/58/22/59/491582259.db2.gz RWQCSFVVPZHBNB-AWEZNQCLSA-N -1 3 357.457 0.338 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNc2nc3c(cnn3C)c(N)n2)s1 ZINC000683457462 493353199 /nfs/dbraw/zinc/35/31/99/493353199.db2.gz SQQWZNZKIKXGOD-UHFFFAOYSA-N -1 3 353.433 0.527 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1C[C@H]2CCCCN2C1=O ZINC000576568021 491625543 /nfs/dbraw/zinc/62/55/43/491625543.db2.gz CUIALJHWRMTKDR-VXGBXAGGSA-N -1 3 372.468 0.522 10 0 FCAEHM Cc1ccc(S(=O)(=O)NCC[N-]S(=O)(=O)c2cscn2)s1 ZINC000577510403 491628066 /nfs/dbraw/zinc/62/80/66/491628066.db2.gz WCXWKYFTOIINPE-UHFFFAOYSA-N -1 3 367.499 0.770 10 0 FCAEHM Cn1ccnc1C[C@@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1N)c1ccccc1 ZINC000673684435 493357985 /nfs/dbraw/zinc/35/79/85/493357985.db2.gz YIXHFJJAPLOHQC-LLVKDONJSA-N -1 3 354.370 0.917 10 0 FCAEHM O=S(=O)([N-][C@@H]1CCc2nnnn2CC1)c1cnccc1C(F)(F)F ZINC000569224697 491643233 /nfs/dbraw/zinc/64/32/33/491643233.db2.gz UOGLVQZBIYMXPY-MRVPVSSYSA-N -1 3 362.337 0.770 10 0 FCAEHM CS(=O)(=O)CCCS(=O)(=O)[N-][C@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC000562063053 491651119 /nfs/dbraw/zinc/65/11/19/491651119.db2.gz UWFGINNPMMSSTI-QWHCGFSZSA-N -1 3 369.505 0.051 10 0 FCAEHM COC(=O)c1cc(C(C)(C)[N-]S(=O)(=O)c2cnc3n2CCC3)no1 ZINC000576865504 491651900 /nfs/dbraw/zinc/65/19/00/491651900.db2.gz WNLRBBGXXYAOPQ-UHFFFAOYSA-N -1 3 354.388 0.818 10 0 FCAEHM C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)C[N-]S(=O)(=O)c1ccccc1F ZINC000576946893 491659096 /nfs/dbraw/zinc/65/90/96/491659096.db2.gz YINHJHBRGQGHJN-QWHCGFSZSA-N -1 3 373.450 0.018 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccc(F)c(F)c1)N1CCn2nncc2C1 ZINC000569472261 491664461 /nfs/dbraw/zinc/66/44/61/491664461.db2.gz KCOKXRUWRMAWQT-UHFFFAOYSA-N -1 3 371.369 0.267 10 0 FCAEHM Cc1cccn(Cc2c(F)cccc2NC(=O)C[C@@H]2NC(=O)[N-]C2=O)c1=O ZINC000578093001 491669796 /nfs/dbraw/zinc/66/97/96/491669796.db2.gz MSZUSUDMRHLPLT-AWEZNQCLSA-N -1 3 372.356 0.881 10 0 FCAEHM O=S(=O)([N-]Cc1cnc(N2CCOCC2)c(F)c1)c1cscn1 ZINC000578439609 491677287 /nfs/dbraw/zinc/67/72/87/491677287.db2.gz MHASZULLHVMVOC-UHFFFAOYSA-N -1 3 358.420 0.992 10 0 FCAEHM COC1CCC(CNC(=O)C[N-]S(=O)(=O)c2c(C)noc2C)CC1 ZINC000579096474 491690858 /nfs/dbraw/zinc/69/08/58/491690858.db2.gz WRVHTKLGRWPCSF-UHFFFAOYSA-N -1 3 359.448 0.891 10 0 FCAEHM Cn1nccc1CC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000579550560 491700270 /nfs/dbraw/zinc/70/02/70/491700270.db2.gz JKVXTWBYMUZJON-UHFFFAOYSA-N -1 3 358.370 0.336 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-][C@@H]2CCN(c3ccc(F)cc3)C2=O)C[C@H](C)O1 ZINC000584769105 491713471 /nfs/dbraw/zinc/71/34/71/491713471.db2.gz KARSXSGBIRORDA-TYNCELHUSA-N -1 3 371.434 0.875 10 0 FCAEHM O=C(Cn1cc(I)c(=O)[n-]c1=O)NCC1CCC1 ZINC000580213677 491722063 /nfs/dbraw/zinc/72/20/63/491722063.db2.gz CPYSXIBJRWKZCV-UHFFFAOYSA-N -1 3 363.155 0.470 10 0 FCAEHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]C2COCCOC2)s1 ZINC000589926522 491767441 /nfs/dbraw/zinc/76/74/41/491767441.db2.gz XGIRSLKVMIVNMN-UHFFFAOYSA-N -1 3 351.402 0.237 10 0 FCAEHM O=C(C[N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl)N1CCNCC1 ZINC000581130999 491760606 /nfs/dbraw/zinc/76/06/06/491760606.db2.gz COOAWKMBDCGAGY-UHFFFAOYSA-N -1 3 366.270 0.845 10 0 FCAEHM C[C@H](O)[C@@H]([N-]S(=O)(=O)CCCS(C)(=O)=O)c1ccccc1F ZINC000581135607 491760948 /nfs/dbraw/zinc/76/09/48/491760948.db2.gz INIQQWXBFGEYFZ-GXFFZTMASA-N -1 3 353.437 0.602 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCC(=O)NC(C)(C)C ZINC000590276416 491771894 /nfs/dbraw/zinc/77/18/94/491771894.db2.gz VOQREKZYOIDXPQ-NSHDSACASA-N -1 3 373.450 0.914 10 0 FCAEHM CN(C)CCN1C[C@@H](C(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)CC1=O ZINC000581488895 491774847 /nfs/dbraw/zinc/77/48/47/491774847.db2.gz DJRMSQIIEDQGAW-BBWFWOEESA-N -1 3 373.453 0.723 10 0 FCAEHM CC(C)c1nc(S(=O)(=O)[N-][C@@H]2CCN(C3CCOCC3)C2=O)c[nH]1 ZINC000673824804 493364503 /nfs/dbraw/zinc/36/45/03/493364503.db2.gz CXENACLYIIEDND-GFCCVEGCSA-N -1 3 356.448 0.591 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)[C@H](C)CN1CCO ZINC000582475124 491813780 /nfs/dbraw/zinc/81/37/80/491813780.db2.gz GQTZIYMHEHGASP-VLXJIEOASA-N -1 3 374.441 0.268 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)NC[C@H](CO)c1cccnc1 ZINC000582627454 491820541 /nfs/dbraw/zinc/82/05/41/491820541.db2.gz TZCWPOPUKMSNST-CYBMUJFWSA-N -1 3 369.468 0.704 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CC[C@H](C)[S@@](C)=O)coc1C(=O)N(C)C ZINC000592039382 491828571 /nfs/dbraw/zinc/82/85/71/491828571.db2.gz JLBPLVGIWCTHNF-JLTPVHFHSA-N -1 3 350.462 0.725 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC2(C(=O)OC(C)(C)C)CCOCC2)c1 ZINC000592070995 491830232 /nfs/dbraw/zinc/83/02/32/491830232.db2.gz BZCPJYLNFBJRNC-UHFFFAOYSA-N -1 3 359.448 0.837 10 0 FCAEHM COC(=O)[C@H]([N-]S(=O)(=O)N1CCc2ccccc2C1)c1ccnn1C ZINC000592089839 491831376 /nfs/dbraw/zinc/83/13/76/491831376.db2.gz ATNHPEZFBHEXEO-OAHLLOKOSA-N -1 3 364.427 0.527 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1nc2c(s1)CC1(CCOCC1)CC2 ZINC000583128199 491838479 /nfs/dbraw/zinc/83/84/79/491838479.db2.gz QSLQXYBJKJLYHI-UHFFFAOYSA-N -1 3 364.427 0.919 10 0 FCAEHM COC(=O)c1ncccc1S(=O)(=O)[N-]C[C@@H](CO)c1cccnc1 ZINC000583391895 491844073 /nfs/dbraw/zinc/84/40/73/491844073.db2.gz LJBWZTUAYCLLAG-LBPRGKRZSA-N -1 3 351.384 0.318 10 0 FCAEHM COC(=O)CCNC(=O)CCNC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000600495661 491864053 /nfs/dbraw/zinc/86/40/53/491864053.db2.gz WAHSTEHXIMMSFW-UHFFFAOYSA-N -1 3 351.359 0.150 10 0 FCAEHM COC(=O)[C@](C)(CCF)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000594867765 491868660 /nfs/dbraw/zinc/86/86/60/491868660.db2.gz ZZUSJFWWIRRBDP-LBPRGKRZSA-N -1 3 368.408 0.055 10 0 FCAEHM COc1ccc(C)cc1CN1CCN(C(=O)CN2CC(=O)[N-]C2=O)CC1 ZINC000600931514 491889194 /nfs/dbraw/zinc/88/91/94/491889194.db2.gz CZZLBNXXYQECPM-UHFFFAOYSA-N -1 3 360.414 0.200 10 0 FCAEHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCC(=O)N(C)CC1 ZINC000595179290 491896475 /nfs/dbraw/zinc/89/64/75/491896475.db2.gz HDZDKSNVJGFIDL-UHFFFAOYSA-N -1 3 353.400 0.472 10 0 FCAEHM COCCCn1nc(C(=O)[N-]c2nc(C)nn2-c2ccccc2)ccc1=O ZINC000612088473 491898026 /nfs/dbraw/zinc/89/80/26/491898026.db2.gz IJZLBPKITBPILY-UHFFFAOYSA-N -1 3 368.397 0.843 10 0 FCAEHM COC(=O)C[C@H]([N-]S(=O)(=O)C[C@@H]1CN(C)CCO1)c1cccs1 ZINC000601298705 491902741 /nfs/dbraw/zinc/90/27/41/491902741.db2.gz RMUYMTWBIQXIGC-RYUDHWBXSA-N -1 3 362.473 0.602 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-][C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000601376819 491910375 /nfs/dbraw/zinc/91/03/75/491910375.db2.gz SYZWGQBTXUKUFF-SECBINFHSA-N -1 3 372.365 0.412 10 0 FCAEHM CCOC(=O)[C@@]1(C[N-]S(=O)(=O)C[C@@H](OC)C(C)C)CCCOC1 ZINC000601512930 491930303 /nfs/dbraw/zinc/93/03/03/491930303.db2.gz DZZCADBPMSKOQX-UKRRQHHQSA-N -1 3 351.465 0.937 10 0 FCAEHM COC(=O)CCN1CCC[C@H](N2CCC[C@@H](c3n[n-]c(=O)o3)C2)C1=O ZINC000595472922 491934529 /nfs/dbraw/zinc/93/45/29/491934529.db2.gz IRYARZYSWBKMAH-NEPJUHHUSA-N -1 3 352.391 0.509 10 0 FCAEHM CCOC(=O)[C@H](CO)[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000612631987 491940914 /nfs/dbraw/zinc/94/09/14/491940914.db2.gz YEFKVXJFEFVHQB-JTQLQIEISA-N -1 3 365.791 0.329 10 0 FCAEHM C[C@@H](C(=O)NC(=O)NCc1ccccc1)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000595883775 491958828 /nfs/dbraw/zinc/95/88/28/491958828.db2.gz DZHYQUUXTBPWMC-WPKBUWHJSA-N -1 3 361.398 0.434 10 0 FCAEHM CN(C)S(=O)(=O)NCC(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000613832084 492001372 /nfs/dbraw/zinc/00/13/72/492001372.db2.gz YIYFLQQOUIAIOI-UHFFFAOYSA-N -1 3 357.310 0.625 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](N3CCC3)[C@@H](F)C2)cn1 ZINC000614091888 492014511 /nfs/dbraw/zinc/01/45/11/492014511.db2.gz HGCREXYSQQRWFJ-STQMWFEESA-N -1 3 356.423 0.248 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)N1CC[C@@H](N2CCC2)[C@@H](F)C1 ZINC000614108881 492015572 /nfs/dbraw/zinc/01/55/72/492015572.db2.gz XFGRXIHZSLDAOY-UONOGXRCSA-N -1 3 373.425 0.749 10 0 FCAEHM C[C@H](NC(=O)COCc1nccn1C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614823264 492057807 /nfs/dbraw/zinc/05/78/07/492057807.db2.gz DROVXPFJRMDCDP-RYUDHWBXSA-N -1 3 361.402 0.817 10 0 FCAEHM CO[C@H](C(=O)N[C@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-])[C@H]1CCOC1 ZINC000614821078 492057878 /nfs/dbraw/zinc/05/78/78/492057878.db2.gz FDXAMZITMKMENM-NMKXLXIOSA-N -1 3 351.403 0.918 10 0 FCAEHM O=C(NCCCc1cc(=O)[nH][n-]1)[C@@H](C[C@H]1COCCO1)C(F)(F)F ZINC000614922764 492064230 /nfs/dbraw/zinc/06/42/30/492064230.db2.gz PGKVWIOJVOAPMZ-WDEREUQCSA-N -1 3 351.325 0.743 10 0 FCAEHM COC(=O)C12CC(C1)CN2C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000598057374 492081968 /nfs/dbraw/zinc/08/19/68/492081968.db2.gz IFOXESWRWGHQFC-SGWRBKMISA-N -1 3 370.402 0.657 10 0 FCAEHM CCn1cnnc1CCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000605180501 492085215 /nfs/dbraw/zinc/08/52/15/492085215.db2.gz SLQQHNIXLRHNGO-CQSZACIVSA-N -1 3 357.414 0.967 10 0 FCAEHM COC(=O)[C@@H]1CCN(C(=O)CC[C@@H]2NC(=O)[N-]C2=O)[C@@H]2CCCC[C@H]12 ZINC000598165051 492086833 /nfs/dbraw/zinc/08/68/33/492086833.db2.gz BQOXBIFKTYDYMF-FVCCEPFGSA-N -1 3 351.403 0.555 10 0 FCAEHM CCN1CC[C@H]2OCCN(C(=O)c3cccc(-c4nc(=O)o[n-]4)c3)[C@H]2C1 ZINC000615350516 492087207 /nfs/dbraw/zinc/08/72/07/492087207.db2.gz XBORMAQXPIKMQJ-LSDHHAIUSA-N -1 3 358.398 0.965 10 0 FCAEHM COC(=O)C[C@H](CNC(=O)C[N-]S(=O)(=O)c1ccccc1F)C1CC1 ZINC000598263660 492091364 /nfs/dbraw/zinc/09/13/64/492091364.db2.gz MBKYIMLLNJZRHA-GFCCVEGCSA-N -1 3 372.418 0.810 10 0 FCAEHM CCCc1ccc([C@@H](C)N(CC(N)=O)C(=O)CN2CC(=O)[N-]C2=O)cc1 ZINC000605504396 492096502 /nfs/dbraw/zinc/09/65/02/492096502.db2.gz ZGPRIJOGOWWSTG-GFCCVEGCSA-N -1 3 360.414 0.566 10 0 FCAEHM O=C(CN1CCN(Cc2ccccc2)CC1)NC1(c2nn[n-]n2)CCCC1 ZINC000605531730 492097914 /nfs/dbraw/zinc/09/79/14/492097914.db2.gz FBXODGWWBOGEMC-UHFFFAOYSA-N -1 3 369.473 0.903 10 0 FCAEHM COC(=O)[C@H]1C[C@@H](N(C)C(=O)c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)C1 ZINC000598432031 492098232 /nfs/dbraw/zinc/09/82/32/492098232.db2.gz CXSXVHQYJFGDCD-SRBZOADZSA-N -1 3 359.382 0.765 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)[n-]1 ZINC000615919208 492106875 /nfs/dbraw/zinc/10/68/75/492106875.db2.gz DUUSCDVYHMFPAN-UHFFFAOYSA-N -1 3 357.326 0.137 10 0 FCAEHM COC(=O)[C@H](C)CS(=O)(=O)[N-][C@H]1CS(=O)(=O)Cc2ccccc21 ZINC000598624551 492109664 /nfs/dbraw/zinc/10/96/64/492109664.db2.gz IXBJVJVQKDUXTG-MFKMUULPSA-N -1 3 361.441 0.385 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)[C@H]2CCCCN2C(=O)C(C)C)[n-]1 ZINC000616029951 492114910 /nfs/dbraw/zinc/11/49/10/492114910.db2.gz NZZHGUCKUMETIS-LLVKDONJSA-N -1 3 351.407 0.635 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)CNC(=O)c2cccc(OC)c2)[n-]1 ZINC000616030157 492114945 /nfs/dbraw/zinc/11/49/45/492114945.db2.gz VVGOQXGDEVAQPN-UHFFFAOYSA-N -1 3 361.358 0.036 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)CCn2c(C)c(C)sc2=O)[n-]1 ZINC000616028379 492115019 /nfs/dbraw/zinc/11/50/19/492115019.db2.gz CFWITCZWPQBLFI-UHFFFAOYSA-N -1 3 353.404 0.528 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)[C@H]2CCCN(CC(F)(F)F)C2)[n-]1 ZINC000616030212 492115660 /nfs/dbraw/zinc/11/56/60/492115660.db2.gz XOWBXMRIDGPJAS-VIFPVBQESA-N -1 3 363.340 0.872 10 0 FCAEHM COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)c1cccc(C)c1[O-] ZINC000598911663 492123712 /nfs/dbraw/zinc/12/37/12/492123712.db2.gz YLPYWMUFDHATGB-JQWIXIFHSA-N -1 3 361.354 0.009 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CCOC[C@@H]1C(F)(F)F ZINC000606856456 492132135 /nfs/dbraw/zinc/13/21/35/492132135.db2.gz SEZJXBRGMPQPEN-MRVPVSSYSA-N -1 3 358.363 0.816 10 0 FCAEHM O=C(CC[C@@H]1NC(=O)[N-]C1=O)NCCc1ccc2c(c1)OC(F)(F)O2 ZINC000616562326 492137548 /nfs/dbraw/zinc/13/75/48/492137548.db2.gz WNOKMIBSQPESSK-VIFPVBQESA-N -1 3 355.297 0.655 10 0 FCAEHM CO[C@@H](C)CN(C(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1)C(C)C ZINC000607135367 492139319 /nfs/dbraw/zinc/13/93/19/492139319.db2.gz GJHKXSOUBRHKEY-LBPRGKRZSA-N -1 3 360.480 0.669 10 0 FCAEHM CC(C)c1nc(S(=O)(=O)[N-]Cc2ccc(S(N)(=O)=O)cc2)c[nH]1 ZINC000607286803 492143748 /nfs/dbraw/zinc/14/37/48/492143748.db2.gz NFMOZQPHUAFQBX-UHFFFAOYSA-N -1 3 358.445 0.659 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)on1 ZINC000599254491 492149449 /nfs/dbraw/zinc/14/94/49/492149449.db2.gz SPXHPBSFJDBAKC-OPQQBVKSSA-N -1 3 371.415 0.280 10 0 FCAEHM CCNC(=O)N1CC[C@H]([N-]S(=O)(=O)Cc2cc(C(=O)OCC)no2)C1 ZINC000599258177 492150308 /nfs/dbraw/zinc/15/03/08/492150308.db2.gz SRRLHWXRSPGDNC-JTQLQIEISA-N -1 3 374.419 0.075 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)Nc2cncc3c2CCCC3)cn1C ZINC000617102702 492154919 /nfs/dbraw/zinc/15/49/19/492154919.db2.gz MPXOQAAUHNGYIS-UHFFFAOYSA-N -1 3 363.443 0.919 10 0 FCAEHM CO[C@H](CNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F)[C@H]1CCOC1 ZINC000617137474 492156525 /nfs/dbraw/zinc/15/65/25/492156525.db2.gz FFRHCDNGSOVQPX-SGMGOOAPSA-N -1 3 374.434 0.660 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000599302050 492157070 /nfs/dbraw/zinc/15/70/70/492157070.db2.gz LBEPUQBPKMDEBM-UHFFFAOYSA-N -1 3 370.409 0.622 10 0 FCAEHM CO[C@@H](CNC(=O)CC[N-]S(=O)(=O)c1ccccc1F)[C@H]1CCOC1 ZINC000617152018 492157755 /nfs/dbraw/zinc/15/77/55/492157755.db2.gz CRBPPMIAJQSUMR-JSGCOSHPSA-N -1 3 374.434 0.662 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H](c2nncn2C)C(C)C)on1 ZINC000599306702 492158256 /nfs/dbraw/zinc/15/82/56/492158256.db2.gz BAUCSJMUZFANOA-GFCCVEGCSA-N -1 3 371.419 0.797 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]Cc2nn(C)cc2Cl)on1 ZINC000599316733 492158981 /nfs/dbraw/zinc/15/89/81/492158981.db2.gz KSYCYCSZVSHHMX-UHFFFAOYSA-N -1 3 362.795 0.858 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]C[C@@H]2CCOC[C@@H]2OC)on1 ZINC000599317327 492159581 /nfs/dbraw/zinc/15/95/81/492159581.db2.gz UUDFKNMZXJOWPX-GWCFXTLKSA-N -1 3 362.404 0.322 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N1CC[C@H](Cn2ccnn2)C1 ZINC000617267901 492162420 /nfs/dbraw/zinc/16/24/20/492162420.db2.gz YRXPOXULEFOSJO-ZDUSSCGKSA-N -1 3 368.397 0.632 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CC[C@@H](Cn2ccnn2)C1 ZINC000617267238 492162513 /nfs/dbraw/zinc/16/25/13/492162513.db2.gz JTKWYRAGFRPCHY-GFCCVEGCSA-N -1 3 369.472 0.557 10 0 FCAEHM COC[C@H](NC(=O)C[N-]S(=O)(=O)c1ccccc1F)C1CCOCC1 ZINC000617377372 492166039 /nfs/dbraw/zinc/16/60/39/492166039.db2.gz ZXLQXGWYXMESID-AWEZNQCLSA-N -1 3 374.434 0.662 10 0 FCAEHM C[C@@H]1C[C@@H](NC(=O)C[N-]S(=O)(=O)c2ccccc2F)c2ncnn21 ZINC000617427799 492168161 /nfs/dbraw/zinc/16/81/61/492168161.db2.gz MCCUOHREYHEVDA-MWLCHTKSSA-N -1 3 353.379 0.518 10 0 FCAEHM COC(=O)[C@H](C[C@H]1CCCOC1)[N-]S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000599459038 492175711 /nfs/dbraw/zinc/17/57/11/492175711.db2.gz BMPYLDARPMWSAI-RQJABVFESA-N -1 3 364.464 0.288 10 0 FCAEHM COC(=O)CCNC(=O)CC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000599476051 492178103 /nfs/dbraw/zinc/17/81/03/492178103.db2.gz ICWRSZWDGKOZFR-UHFFFAOYSA-N -1 3 366.798 0.827 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCN(C3CCC3)C2=O)c(C)o1 ZINC000599524618 492183539 /nfs/dbraw/zinc/18/35/39/492183539.db2.gz YKHQHKCROUYBQM-LLVKDONJSA-N -1 3 356.400 0.806 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-][C@H]2CCN(C3CCC3)C2=O)CCCC1 ZINC000599523783 492183572 /nfs/dbraw/zinc/18/35/72/492183572.db2.gz GGFARSQLXUTFMB-ZDUSSCGKSA-N -1 3 358.460 0.793 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCN(C3CCC3)C2=O)oc1C ZINC000599524996 492183943 /nfs/dbraw/zinc/18/39/43/492183943.db2.gz GSNXFHJUXXGVNG-LBPRGKRZSA-N -1 3 356.400 0.806 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCO[C@@H]1CC1(F)F ZINC000618126683 492211341 /nfs/dbraw/zinc/21/13/41/492211341.db2.gz UKLNLOBUUILCAB-DTWKUNHWSA-N -1 3 354.400 0.955 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)N1CCC[C@](O)(C2CC2)C1 ZINC000618284704 492220017 /nfs/dbraw/zinc/22/00/17/492220017.db2.gz BCDZHPAOXVEGSW-MRXNPFEDSA-N -1 3 356.419 0.868 10 0 FCAEHM C[C@@H]1CC[C@H](NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)CS1(=O)=O ZINC000618311562 492222868 /nfs/dbraw/zinc/22/28/68/492222868.db2.gz BEVORKPYMBPQEM-MFKMUULPSA-N -1 3 360.457 0.754 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)NC[C@H]2CCC[C@@H](C)O2)cn1C ZINC000618576662 492231966 /nfs/dbraw/zinc/23/19/66/492231966.db2.gz PMTIYICSQHYGLR-DGCLKSJQSA-N -1 3 358.464 0.471 10 0 FCAEHM NC(=O)c1csc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])n1 ZINC000618947427 492244502 /nfs/dbraw/zinc/24/45/02/492244502.db2.gz KHIPMLPYBMAICF-LBPRGKRZSA-N -1 3 374.422 0.869 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)NCC(O)(C1CC1)C1CC1 ZINC000619028733 492247728 /nfs/dbraw/zinc/24/77/28/492247728.db2.gz WKMMFSYFVQBDCH-UHFFFAOYSA-N -1 3 369.421 0.925 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NC1(CN2CCN(c3ccccc3)CC2)CC1 ZINC000619064211 492249262 /nfs/dbraw/zinc/24/92/62/492249262.db2.gz KKBDYDDIAGOSGL-HNNXBMFYSA-N -1 3 371.441 0.056 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2c(C(=O)N[C@H]3C[C@@H](O)C34CCC4)cc(C3CC3)nc21 ZINC000619089304 492250189 /nfs/dbraw/zinc/25/01/89/492250189.db2.gz LYRMHXCGBLULRI-QWHCGFSZSA-N -1 3 370.409 0.945 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)NC[C@H]2C(C)(C)C2(F)F)cn1C ZINC000619394204 492261677 /nfs/dbraw/zinc/26/16/77/492261677.db2.gz PSOWELSTDSVAID-VIFPVBQESA-N -1 3 350.391 0.414 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]CCC2CS(=O)(=O)C2)c(F)c1 ZINC000619499084 492266983 /nfs/dbraw/zinc/26/69/83/492266983.db2.gz OVQQEXFGKOPLIB-UHFFFAOYSA-N -1 3 365.404 0.325 10 0 FCAEHM COCCCS(=O)(=O)[N-]CC(=O)Nc1cccc(C(=O)OC)c1C ZINC000610899954 492267851 /nfs/dbraw/zinc/26/78/51/492267851.db2.gz ONEKODVAYZQISL-UHFFFAOYSA-N -1 3 358.416 0.676 10 0 FCAEHM COC(=O)C[C@H](O)CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000600462265 492271913 /nfs/dbraw/zinc/27/19/13/492271913.db2.gz XYUHEPIXGALYLJ-AAEUAGOBSA-N -1 3 350.371 0.037 10 0 FCAEHM COC[C@](C)(O)C[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000611023507 492275826 /nfs/dbraw/zinc/27/58/26/492275826.db2.gz CCETUAJTECIYEG-CYBMUJFWSA-N -1 3 351.808 0.802 10 0 FCAEHM CSC[C@@H](CCO)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000611188172 492280879 /nfs/dbraw/zinc/28/08/79/492280879.db2.gz DSPLQQYRRAMGIX-WDEREUQCSA-N -1 3 364.464 0.723 10 0 FCAEHM O=C(Cc1cncc([O-])c1)NC[C@]1(CO)COCCN1Cc1ccccc1 ZINC000619941771 492283843 /nfs/dbraw/zinc/28/38/43/492283843.db2.gz OVMQEJJDZVOQLP-FQEVSTJZSA-N -1 3 371.437 0.709 10 0 FCAEHM CCN1CCN(CC(=O)Nc2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)CC1 ZINC000619986367 492285491 /nfs/dbraw/zinc/28/54/91/492285491.db2.gz AAVHJAYAUGNXOR-GOSISDBHSA-N -1 3 359.430 0.317 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)N1CC[C@@H]2COC[C@@H]2C1 ZINC000620149630 492296137 /nfs/dbraw/zinc/29/61/37/492296137.db2.gz CHQNKQVPPMPINH-OLZOCXBDSA-N -1 3 355.394 0.753 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)N1CC[C@@H]2COC[C@H]2C1 ZINC000620149629 492296194 /nfs/dbraw/zinc/29/61/94/492296194.db2.gz CHQNKQVPPMPINH-CHWSQXEVSA-N -1 3 355.394 0.753 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C(=O)NC(C)C)C2)cn1 ZINC000620415452 492308115 /nfs/dbraw/zinc/30/81/15/492308115.db2.gz SSELTAYGSVENDL-ZDUSSCGKSA-N -1 3 368.459 0.367 10 0 FCAEHM C[C@@]1(c2ccc(C(=O)N3CCc4nccnc4C3)cc2)NC(=O)[N-]C1=O ZINC000620421492 492308988 /nfs/dbraw/zinc/30/89/88/492308988.db2.gz OCVKLOMNUBXHSM-SFHVURJKSA-N -1 3 351.366 0.730 10 0 FCAEHM C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000647581963 492324102 /nfs/dbraw/zinc/32/41/02/492324102.db2.gz VUCWVZZGOFWRIY-UONOGXRCSA-N -1 3 353.463 0.936 10 0 FCAEHM CN1CCN(Cc2ccccc2)[C@H](CNC(=O)c2[nH]c(=O)[n-]c(=O)c2N)C1 ZINC000620722319 492326623 /nfs/dbraw/zinc/32/66/23/492326623.db2.gz DIRXIBLLYJPBDO-CYBMUJFWSA-N -1 3 372.429 0.016 10 0 FCAEHM CC[C@@H](C)c1cccc(NC(=O)C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)c1 ZINC000627527957 492333035 /nfs/dbraw/zinc/33/30/35/492333035.db2.gz VJYHHRPEHDRHAU-RISCZKNCSA-N -1 3 358.398 0.901 10 0 FCAEHM C[C@H]1CN(Cc2cc(=O)n3nc(N)[n-]c3n2)C[C@@H](c2ccc(F)cc2)O1 ZINC000621259556 492364852 /nfs/dbraw/zinc/36/48/52/492364852.db2.gz ZUJWCBGGSZCTCS-HZMBPMFUSA-N -1 3 358.377 0.931 10 0 FCAEHM CCc1ccc(CN2CCN(Cc3cc(=O)n4nc(N)[n-]c4n3)CC2)s1 ZINC000621258454 492365416 /nfs/dbraw/zinc/36/54/16/492365416.db2.gz LQYFTLOXWMXDMV-UHFFFAOYSA-N -1 3 373.486 0.772 10 0 FCAEHM COCCOCCS(=O)(=O)[N-][C@H]1CS(=O)(=O)Cc2ccccc21 ZINC000621305997 492372628 /nfs/dbraw/zinc/37/26/28/492372628.db2.gz OFBXPTZSVMWCCS-AWEZNQCLSA-N -1 3 363.457 0.239 10 0 FCAEHM C[C@H](CC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1)NC(N)=O ZINC000654945007 492382685 /nfs/dbraw/zinc/38/26/85/492382685.db2.gz NVKZVRJIZJKZRD-SSDOTTSWSA-N -1 3 368.868 0.243 10 0 FCAEHM CO[C@H]1CC[C@H](C(=O)NCC(=O)Nc2cccc3c(=O)[nH][n-]c(=O)c23)C1 ZINC000621730288 492407309 /nfs/dbraw/zinc/40/73/09/492407309.db2.gz HICSZMIYJYNUIE-UWVGGRQHSA-N -1 3 360.370 0.911 10 0 FCAEHM CO[C@H]1CC[C@H](C(=O)NCC(=O)Nc2cccc3c(=O)[n-][nH]c(=O)c23)C1 ZINC000621730288 492407312 /nfs/dbraw/zinc/40/73/12/492407312.db2.gz HICSZMIYJYNUIE-UWVGGRQHSA-N -1 3 360.370 0.911 10 0 FCAEHM CCn1nnc(C)c1CNC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000627871455 492408985 /nfs/dbraw/zinc/40/89/85/492408985.db2.gz NZRPHKGRNXUTMI-QGZVFWFLSA-N -1 3 356.386 0.591 10 0 FCAEHM CN(C)CCOc1ccc(CCNC(=O)c2c[n-]n3c2nccc3=O)cc1 ZINC000621856127 492427063 /nfs/dbraw/zinc/42/70/63/492427063.db2.gz IRWOCUZHSMCIJM-UHFFFAOYSA-N -1 3 369.425 0.936 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)NC[C@@H]2CCC3(CCCC3)O2)c1 ZINC000655369774 492438782 /nfs/dbraw/zinc/43/87/82/492438782.db2.gz ZEURJAZUMUMPSO-LBPRGKRZSA-N -1 3 356.448 0.306 10 0 FCAEHM CN(C)S(=O)(=O)NCCNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622050006 492447457 /nfs/dbraw/zinc/44/74/57/492447457.db2.gz ZHQSEYSQHPXTTA-UHFFFAOYSA-N -1 3 355.338 0.537 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[C@H](O)CC23CCC3)cn1C ZINC000622113213 492455273 /nfs/dbraw/zinc/45/52/73/492455273.db2.gz QNIIIKPHOJMFEP-ZDUSSCGKSA-N -1 3 370.475 0.303 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)Nc1nnc(C2CC2)n1C ZINC000622136299 492458288 /nfs/dbraw/zinc/45/82/88/492458288.db2.gz ZZOMSMWGHMPQHA-UHFFFAOYSA-N -1 3 354.392 0.214 10 0 FCAEHM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622146324 492459081 /nfs/dbraw/zinc/45/90/81/492459081.db2.gz OPJPUVRNFWEAFY-WDEREUQCSA-N -1 3 353.318 0.953 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NCCO[C@H]1CC1(F)F ZINC000622161371 492460207 /nfs/dbraw/zinc/46/02/07/492460207.db2.gz WLFQRHOIIPRNKZ-VIFPVBQESA-N -1 3 353.347 0.110 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCCc2n[nH]cc2C1 ZINC000622187730 492464911 /nfs/dbraw/zinc/46/49/11/492464911.db2.gz BBRAXTCTHXQECP-UHFFFAOYSA-N -1 3 353.404 0.268 10 0 FCAEHM Cn1cnc(CCCNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])n1 ZINC000648985543 492481619 /nfs/dbraw/zinc/48/16/19/492481619.db2.gz ZHSCSGZBIGYXEM-CQSZACIVSA-N -1 3 357.414 0.874 10 0 FCAEHM CCCC[C@](C)(CO)NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000649030969 492484022 /nfs/dbraw/zinc/48/40/22/492484022.db2.gz YXCZNDZTTNHTDT-CYBMUJFWSA-N -1 3 362.224 0.769 10 0 FCAEHM COc1cc(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)cc(OC)c1[O-] ZINC000649073398 492489442 /nfs/dbraw/zinc/48/94/42/492489442.db2.gz WDRVZOBCVDDNBR-NSHDSACASA-N -1 3 351.403 0.601 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)NC[C@@H]2CC[C@H]3C[C@H]3C2)cn1C ZINC000628294410 492491864 /nfs/dbraw/zinc/49/18/64/492491864.db2.gz RHDYMZRWHCFCLQ-HZSPNIEDSA-N -1 3 354.476 0.949 10 0 FCAEHM CNC(=O)c1nn[n-]c1NC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000622883334 492493092 /nfs/dbraw/zinc/49/30/92/492493092.db2.gz UGTKKEYLJJEZGE-YFKPBYRVSA-N -1 3 357.296 0.650 10 0 FCAEHM CNC(=O)c1[n-]nnc1NC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000622883334 492493095 /nfs/dbraw/zinc/49/30/95/492493095.db2.gz UGTKKEYLJJEZGE-YFKPBYRVSA-N -1 3 357.296 0.650 10 0 FCAEHM CNC(=O)c1n[n-]nc1NC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000622883334 492493099 /nfs/dbraw/zinc/49/30/99/492493099.db2.gz UGTKKEYLJJEZGE-YFKPBYRVSA-N -1 3 357.296 0.650 10 0 FCAEHM C[C@@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)N(C)C1CC1 ZINC000655983304 492503895 /nfs/dbraw/zinc/50/38/95/492503895.db2.gz ATVBNEBPHLDPHA-AUZPSNTRSA-N -1 3 353.463 0.837 10 0 FCAEHM CC(C)[C@@H](CNC(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C)C(=O)[O-] ZINC000655982613 492504006 /nfs/dbraw/zinc/50/40/06/492504006.db2.gz XGFYICZMSPAVPD-HZPDHXFCSA-N -1 3 363.458 0.749 10 0 FCAEHM C[C@@H](NC(=O)C(=O)NC[C@H](C)N(C)C1CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655983307 492504035 /nfs/dbraw/zinc/50/40/35/492504035.db2.gz ATVBNEBPHLDPHA-UZGDPCLZSA-N -1 3 353.463 0.837 10 0 FCAEHM CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000649147471 492505019 /nfs/dbraw/zinc/50/50/19/492505019.db2.gz NYODKTDFEGFDNL-OAHLLOKOSA-N -1 3 369.299 0.711 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCO[C@@H](c2c(F)cccc2Cl)C1 ZINC000649203889 492509926 /nfs/dbraw/zinc/50/99/26/492509926.db2.gz XZJOUEFPOKAEHQ-LLVKDONJSA-N -1 3 355.753 0.931 10 0 FCAEHM O=C(CC[C@@H]1NC(=O)[N-]C1=O)NCCc1cccc2c1OC(F)(F)O2 ZINC000628583072 492524045 /nfs/dbraw/zinc/52/40/45/492524045.db2.gz CXMYRNIDTZSFER-VIFPVBQESA-N -1 3 355.297 0.655 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)NC[C@@H](O)[C@H]1CCCO1 ZINC000628590070 492526685 /nfs/dbraw/zinc/52/66/85/492526685.db2.gz GYEVJQMIRHTMQO-CHWSQXEVSA-N -1 3 360.407 0.150 10 0 FCAEHM O=C(N[C@H]1CCN(c2ccc3nncn3n2)C1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000628725157 492537925 /nfs/dbraw/zinc/53/79/25/492537925.db2.gz SZNUBLPMUKTSRL-NSHDSACASA-N -1 3 366.385 0.506 10 0 FCAEHM O=C(Cc1ccc([O-])c(F)c1)N[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000628726385 492538775 /nfs/dbraw/zinc/53/87/75/492538775.db2.gz VPBPPGCRBJXSBR-LBPRGKRZSA-N -1 3 356.361 0.907 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000628740578 492542807 /nfs/dbraw/zinc/54/28/07/492542807.db2.gz JTYYWUCQYIBEKS-CYBMUJFWSA-N -1 3 366.805 0.213 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H]2C[C@@H](C(N)=O)C2)cc1OC ZINC000650003845 492604995 /nfs/dbraw/zinc/60/49/95/492604995.db2.gz SMAYXVQONZGMIR-JGZJWPJOSA-N -1 3 370.431 0.842 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000629385966 492618665 /nfs/dbraw/zinc/61/86/65/492618665.db2.gz JBBFAJRSYLDMOC-HNNXBMFYSA-N -1 3 355.398 0.410 10 0 FCAEHM COC1(CS(=O)(=O)[N-]c2ccc(CNC(N)=O)cc2)CCOCC1 ZINC000650169786 492618780 /nfs/dbraw/zinc/61/87/80/492618780.db2.gz SCWOHSYJLKIWMY-UHFFFAOYSA-N -1 3 357.432 0.792 10 0 FCAEHM COC1(CS(=O)(=O)[N-]c2ccc3c(c2)OCC(=O)N3C)CCOCC1 ZINC000650200283 492621838 /nfs/dbraw/zinc/62/18/38/492621838.db2.gz ASGKJFFMHLYGPB-UHFFFAOYSA-N -1 3 370.427 0.979 10 0 FCAEHM O=C1N[C@H](CCF)C(=O)N1CC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000650270906 492626572 /nfs/dbraw/zinc/62/65/72/492626572.db2.gz KPFPVIXRGSTTAB-SNVBAGLBSA-N -1 3 365.333 0.523 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]c1cc(-n2cnnn2)ccc1C)[C@H]1CCOC1 ZINC000656732893 492647590 /nfs/dbraw/zinc/64/75/90/492647590.db2.gz YHHVJSIXQWMJMA-SWLSCSKDSA-N -1 3 367.431 0.764 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]Cc1nncn1-c1ccccc1)[C@H]1CCOC1 ZINC000656874086 492657033 /nfs/dbraw/zinc/65/70/33/492657033.db2.gz PZHZOPCMIVFSNQ-ZFWWWQNUSA-N -1 3 366.443 0.738 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]CC(=O)N(C)Cc1ccccc1)[C@H]1CCOC1 ZINC000656880083 492659169 /nfs/dbraw/zinc/65/91/69/492659169.db2.gz FBPJZDSWAUHVQH-JKSUJKDBSA-N -1 3 370.471 0.616 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CC(Cc3cccs3)C2)c1 ZINC000629626020 492660549 /nfs/dbraw/zinc/66/05/49/492660549.db2.gz JEZPOAVKJODSKV-UHFFFAOYSA-N -1 3 354.457 0.461 10 0 FCAEHM C[C@@H]1C[C@H](CO)CCN1C(=O)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000629680503 492662487 /nfs/dbraw/zinc/66/24/87/492662487.db2.gz GDXSUWKHWXRCAY-CHWSQXEVSA-N -1 3 357.410 0.877 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@@H](C)C(=O)Nc1ccccc1)[C@H]1CCOC1 ZINC000656900698 492663025 /nfs/dbraw/zinc/66/30/25/492663025.db2.gz IQNVZDSOSDRTNM-KCQAQPDRSA-N -1 3 356.444 0.985 10 0 FCAEHM CC(=O)N1CCc2sc(S(=O)(=O)[N-][C@@H]3CCC(=O)N(C)C3)cc2C1 ZINC000656908041 492665779 /nfs/dbraw/zinc/66/57/79/492665779.db2.gz PSCVRZJQWIQLRC-GFCCVEGCSA-N -1 3 371.484 0.552 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]Cc2nc([C@H](C)c3cnccn3)no2)cn1C ZINC000624756178 492679335 /nfs/dbraw/zinc/67/93/35/492679335.db2.gz OWRPXHMKWULDQY-SECBINFHSA-N -1 3 363.403 0.532 10 0 FCAEHM Cc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)[N-]C3=O)c(F)c1F ZINC000624837254 492689682 /nfs/dbraw/zinc/68/96/82/492689682.db2.gz YFKARXCXUICTKS-UHFFFAOYSA-N -1 3 359.354 0.636 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@H](C(N)=O)[C@H](C)c1ccccc1)[C@H]1CCOC1 ZINC000656993840 492689750 /nfs/dbraw/zinc/68/97/50/492689750.db2.gz IUXGRWPKCYDLRT-BVUBDWEXSA-N -1 3 370.471 0.615 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]Cc1ncn(-c2ccccc2)n1)[C@H]1CCOC1 ZINC000656999464 492690733 /nfs/dbraw/zinc/69/07/33/492690733.db2.gz ZRNPBTXTDYROCE-DZGCQCFKSA-N -1 3 366.443 0.738 10 0 FCAEHM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]C1(c2noc(C(F)F)n2)CCC1 ZINC000644290751 492692894 /nfs/dbraw/zinc/69/28/94/492692894.db2.gz YLMJPISRCRMHGY-SSDOTTSWSA-N -1 3 352.363 0.783 10 0 FCAEHM Cn1nccc1[C@H](CO)[N-]S(=O)(=O)c1cnc2onc(C3CC3)c2c1 ZINC000657011147 492693003 /nfs/dbraw/zinc/69/30/03/492693003.db2.gz YMQFUCCTUAOZJV-LBPRGKRZSA-N -1 3 363.399 0.846 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)NCC1COC1 ZINC000624887558 492694728 /nfs/dbraw/zinc/69/47/28/492694728.db2.gz YSTLTWKORMQJGA-UHFFFAOYSA-N -1 3 353.853 0.625 10 0 FCAEHM CNS(=O)(=O)C[C@H]1CCCN(C(=O)c2cc(F)cc3[n-]nnc32)C1 ZINC000629892397 492696867 /nfs/dbraw/zinc/69/68/67/492696867.db2.gz CUOVQJKCZMAYCM-VIFPVBQESA-N -1 3 355.395 0.498 10 0 FCAEHM CNS(=O)(=O)C[C@H]1CCCN(C(=O)c2cc(F)cc3nn[n-]c32)C1 ZINC000629892397 492696870 /nfs/dbraw/zinc/69/68/70/492696870.db2.gz CUOVQJKCZMAYCM-VIFPVBQESA-N -1 3 355.395 0.498 10 0 FCAEHM CNS(=O)(=O)C[C@H]1CCCN(C(=O)c2cc(F)cc3n[n-]nc32)C1 ZINC000629892397 492696873 /nfs/dbraw/zinc/69/68/73/492696873.db2.gz CUOVQJKCZMAYCM-VIFPVBQESA-N -1 3 355.395 0.498 10 0 FCAEHM CCS(=O)(=O)NCCC[N-]S(=O)(=O)c1ccc(C)c(F)c1F ZINC000624934878 492699331 /nfs/dbraw/zinc/69/93/31/492699331.db2.gz PAYJLVLARWSLGC-UHFFFAOYSA-N -1 3 356.416 0.881 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-][C@](C)(C(N)=O)c2ccccc2)CCOCC1 ZINC000624937936 492699804 /nfs/dbraw/zinc/69/98/04/492699804.db2.gz DHZCRAFMLLUGAX-INIZCTEOSA-N -1 3 370.471 0.892 10 0 FCAEHM C[C@@]1(c2ccc(C(=O)N[C@H]3CCN(C4CCC4)C3=O)cc2)NC(=O)[N-]C1=O ZINC000629923551 492705789 /nfs/dbraw/zinc/70/57/89/492705789.db2.gz DMCJOEWRYPVEHA-LIRRHRJNSA-N -1 3 370.409 0.624 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](CO)C2CCC2)cc1F ZINC000657055775 492705761 /nfs/dbraw/zinc/70/57/61/492705761.db2.gz JGIFHCPWQJKXKQ-ZDUSSCGKSA-N -1 3 366.436 0.637 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H]2CCN(C3CCC3)C2=O)cc1 ZINC000629930361 492706239 /nfs/dbraw/zinc/70/62/39/492706239.db2.gz HUEGMYJFZBFEHX-AWEZNQCLSA-N -1 3 351.428 0.941 10 0 FCAEHM COC[C@@H]([N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F)C1CCOCC1 ZINC000657060669 492706686 /nfs/dbraw/zinc/70/66/86/492706686.db2.gz NYIYSORTROTZEZ-GFCCVEGCSA-N -1 3 374.390 0.980 10 0 FCAEHM CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H]1C[C@@H](C)n2ncnc21 ZINC000657068624 492708059 /nfs/dbraw/zinc/70/80/59/492708059.db2.gz QNGBQUKQFNHLQJ-ZJUUUORDSA-N -1 3 371.444 0.171 10 0 FCAEHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)c2ncnn21 ZINC000657068594 492708222 /nfs/dbraw/zinc/70/82/22/492708222.db2.gz QIKKSCTXTUKDET-KCJUWKMLSA-N -1 3 374.419 0.805 10 0 FCAEHM CN1c2ccccc2C[C@H]([N-]S(=O)(=O)c2cnn3c2OCCC3)C1=O ZINC000657070204 492708991 /nfs/dbraw/zinc/70/89/91/492708991.db2.gz CRRZGCCLTBPDPH-LBPRGKRZSA-N -1 3 362.411 0.532 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-][C@@H]2Cc3ccccc3N(C)C2=O)C[C@H](C)O1 ZINC000657071917 492709181 /nfs/dbraw/zinc/70/91/81/492709181.db2.gz WKEXIJGKDVGYKL-MBNYWOFBSA-N -1 3 353.444 0.518 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CCN2C[C@H](C)OC[C@@H]2C)coc1C(=O)N(C)C ZINC000657092736 492715356 /nfs/dbraw/zinc/71/53/56/492715356.db2.gz WLFRDKVKGDLLGN-RYUDHWBXSA-N -1 3 373.475 0.677 10 0 FCAEHM COCc1ccccc1CS(=O)(=O)[N-][C@H]1CS(=O)(=O)C[C@@H]1OC ZINC000657102280 492722280 /nfs/dbraw/zinc/72/22/80/492722280.db2.gz YWPLCMKZWBJOMB-KBPBESRZSA-N -1 3 363.457 0.064 10 0 FCAEHM CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]CC(=O)N1CCOCC1 ZINC000625110720 492725152 /nfs/dbraw/zinc/72/51/52/492725152.db2.gz DXYQTKKFDFLCOJ-OAHLLOKOSA-N -1 3 374.434 0.161 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]CC(=O)NCC(F)F)c1ccc(F)cc1 ZINC000625176264 492734287 /nfs/dbraw/zinc/73/42/87/492734287.db2.gz HJAFJNJBXBYSEG-LLVKDONJSA-N -1 3 354.350 0.814 10 0 FCAEHM CCN1CC[C@H]([N-]S(=O)(=O)C[C@@H](Cc2ccc(F)cc2)OC)C1=O ZINC000625195109 492737332 /nfs/dbraw/zinc/73/73/32/492737332.db2.gz XDWICNYVPJYGLO-CABCVRRESA-N -1 3 358.435 0.923 10 0 FCAEHM NC(=O)COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@@H](O)C12CCC2 ZINC000657187657 492740077 /nfs/dbraw/zinc/74/00/77/492740077.db2.gz PIHIHNMFTQMSFA-CHWSQXEVSA-N -1 3 374.846 0.786 10 0 FCAEHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H](O)C23CCC3)cc1F ZINC000657191170 492740551 /nfs/dbraw/zinc/74/05/51/492740551.db2.gz ZLVOOQZSONGFDS-CHWSQXEVSA-N -1 3 363.432 0.811 10 0 FCAEHM COCCN1CCC[C@H]1CNC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000625268295 492749153 /nfs/dbraw/zinc/74/91/53/492749153.db2.gz MIPWEYYOCXSONP-ZDUSSCGKSA-N -1 3 356.448 0.294 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-][C@H](COC)C2CCOCC2)CCOCC1 ZINC000625274195 492749462 /nfs/dbraw/zinc/74/94/62/492749462.db2.gz LIOQWFUJXFCCSE-OAHLLOKOSA-N -1 3 365.492 0.933 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NC2COCCOC2)cc1OC ZINC000644481412 492769226 /nfs/dbraw/zinc/76/92/26/492769226.db2.gz IYYXZTBOUNBZMU-UHFFFAOYSA-N -1 3 373.431 0.994 10 0 FCAEHM COC1(CS(=O)(=O)[N-]Cc2nncn2-c2ccccc2)CCOCC1 ZINC000651515668 492773145 /nfs/dbraw/zinc/77/31/45/492773145.db2.gz PLOGBLYYOYBOLZ-UHFFFAOYSA-N -1 3 366.443 0.882 10 0 FCAEHM CC(C)n1cnc(=NC(=O)C(=O)N[C@@H](C)CN2C[C@H](C)C[C@H](C)C2)[n-]1 ZINC000651534278 492776280 /nfs/dbraw/zinc/77/62/80/492776280.db2.gz AFDUHHPEPOREOF-MJBXVCDLSA-N -1 3 350.467 0.702 10 0 FCAEHM O=C(CCc1nnn[n-]1)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000630823892 492776385 /nfs/dbraw/zinc/77/63/85/492776385.db2.gz VGUDVTWQBSJXIW-UHFFFAOYSA-N -1 3 350.345 0.246 10 0 FCAEHM O=C(CCc1nn[n-]n1)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000630823892 492776387 /nfs/dbraw/zinc/77/63/87/492776387.db2.gz VGUDVTWQBSJXIW-UHFFFAOYSA-N -1 3 350.345 0.246 10 0 FCAEHM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]CC1(OCCO)CCC(F)(F)CC1 ZINC000625409879 492776666 /nfs/dbraw/zinc/77/66/66/492776666.db2.gz QMWCRURVDBMXCL-LLVKDONJSA-N -1 3 372.434 0.340 10 0 FCAEHM COC1(CS(=O)(=O)[N-][C@H](C)C(=O)N2CCCC[C@@H]2C)CCOCC1 ZINC000651545358 492778032 /nfs/dbraw/zinc/77/80/32/492778032.db2.gz DSIYXIVCDSTSCG-UONOGXRCSA-N -1 3 362.492 0.891 10 0 FCAEHM COC1(CS(=O)(=O)[N-][C@@H]2CCN(CC(F)(F)F)C2=O)CCOCC1 ZINC000651557013 492781032 /nfs/dbraw/zinc/78/10/32/492781032.db2.gz LPVXTNVICSMXQR-SNVBAGLBSA-N -1 3 374.381 0.265 10 0 FCAEHM COC1(CS(=O)(=O)[N-]C[C@@H](O)COc2ccccc2)CCOCC1 ZINC000651569661 492784236 /nfs/dbraw/zinc/78/42/36/492784236.db2.gz HEVQDOTXGVZABH-CQSZACIVSA-N -1 3 359.444 0.541 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CN2C(=O)N3C[C@H](OC)C[C@@]3(C)C2=O)s1 ZINC000630980422 492791778 /nfs/dbraw/zinc/79/17/78/492791778.db2.gz AGXLICRXSRAONH-OTYXRUKQSA-N -1 3 373.456 0.598 10 0 FCAEHM COC1(CS(=O)(=O)[N-][C@@H](C(N)=O)c2ccc(F)cc2)CCOCC1 ZINC000651645516 492799150 /nfs/dbraw/zinc/79/91/50/492799150.db2.gz VHUYURQQSAQSBH-CYBMUJFWSA-N -1 3 360.407 0.467 10 0 FCAEHM CC(C)n1cnc(=NC(=O)C(=O)N[C@@H](C)[C@H]2CCCN(C3CCC3)C2)[n-]1 ZINC000651658220 492801855 /nfs/dbraw/zinc/80/18/55/492801855.db2.gz KPXJZCJPYRXLLA-KBPBESRZSA-N -1 3 362.478 0.989 10 0 FCAEHM CC(C)n1cnc(=NC(=O)C(=O)N[C@H](C)[C@H]2CCCN(C3CCC3)C2)[n-]1 ZINC000651658221 492802462 /nfs/dbraw/zinc/80/24/62/492802462.db2.gz KPXJZCJPYRXLLA-KGLIPLIRSA-N -1 3 362.478 0.989 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC[C@H]1CCN(C)C(=O)C1 ZINC000644788070 492808022 /nfs/dbraw/zinc/80/80/22/492808022.db2.gz XEKBPARESALLIA-RYUDHWBXSA-N -1 3 371.434 0.477 10 0 FCAEHM COC1(CS(=O)(=O)[N-][C@@H](C(N)=O)[C@H](C)c2ccccc2)CCOCC1 ZINC000651713850 492811592 /nfs/dbraw/zinc/81/15/92/492811592.db2.gz GXHCZDQSZGINQC-UKRRQHHQSA-N -1 3 370.471 0.759 10 0 FCAEHM CC(C)n1cnc(=NC(=O)C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)[n-]1 ZINC000651762718 492819148 /nfs/dbraw/zinc/81/91/48/492819148.db2.gz LLHWQXKLIIILQZ-MRXNPFEDSA-N -1 3 370.457 0.858 10 0 FCAEHM Cc1cnc(C)c(NC(=O)C(=O)N2CCC[C@H]2C[C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000651791106 492824378 /nfs/dbraw/zinc/82/43/78/492824378.db2.gz YFMRALKGIYSPQB-KPZWWZAWSA-N -1 3 373.413 0.616 10 0 FCAEHM Cc1cc(C)c(NC(=O)C[N-]S(=O)(=O)C[C@H]2CN(C)CCO2)c(C)c1 ZINC000631655989 492830219 /nfs/dbraw/zinc/83/02/19/492830219.db2.gz CHMLTIBCKYVLAS-OAHLLOKOSA-N -1 3 369.487 0.800 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000625618697 492841871 /nfs/dbraw/zinc/84/18/71/492841871.db2.gz FHGDTQVQCOBFKU-OAHLLOKOSA-N -1 3 366.443 0.866 10 0 FCAEHM Cc1cc(CS(=O)(=O)[N-]C[C@H]2CN(Cc3ccncc3)CCO2)on1 ZINC000625620318 492843057 /nfs/dbraw/zinc/84/30/57/492843057.db2.gz RZLJJGPUHQXCPD-INIZCTEOSA-N -1 3 366.443 0.698 10 0 FCAEHM Cc1nn2cc(Br)cnc2c1S(=O)(=O)[N-][C@@H]1CCN(C)C1 ZINC000631786543 492853223 /nfs/dbraw/zinc/85/32/23/492853223.db2.gz YMPBKHHRFSPWKU-SNVBAGLBSA-N -1 3 374.264 0.783 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000625657637 492854049 /nfs/dbraw/zinc/85/40/49/492854049.db2.gz CPJYOKXSNLLFIJ-MISXGVKJSA-N -1 3 360.457 0.129 10 0 FCAEHM Cc1cc(C(=O)N2CCC[C@H]2c2nc(=N)n(C)[n-]2)ccc1S(N)(=O)=O ZINC000651979055 492857271 /nfs/dbraw/zinc/85/72/71/492857271.db2.gz USQWGTVMALWSSK-NSHDSACASA-N -1 3 364.431 0.161 10 0 FCAEHM CN1CCO[C@H](CS(=O)(=O)[N-][C@H]2CCN(Cc3ccccc3)C2=O)C1 ZINC000631813563 492857396 /nfs/dbraw/zinc/85/73/96/492857396.db2.gz QIQSUBOQUNADMT-HOTGVXAUSA-N -1 3 367.471 0.038 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@@H]1CCN(C2CCC2)C1=O)C1CCOCC1 ZINC000625689166 492860663 /nfs/dbraw/zinc/86/06/63/492860663.db2.gz BFWJSMACTADIKN-HUUCEWRRSA-N -1 3 360.476 0.501 10 0 FCAEHM CCc1cccc(NC(=O)C[N-]S(=O)(=O)C[C@@H]2CN(C)CCO2)c1 ZINC000631874146 492867508 /nfs/dbraw/zinc/86/75/08/492867508.db2.gz YCZZJSUOEFGVKD-HNNXBMFYSA-N -1 3 355.460 0.438 10 0 FCAEHM O=C(C[N-]S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1)N1CCc2ccccc21 ZINC000631879581 492867978 /nfs/dbraw/zinc/86/79/78/492867978.db2.gz BEEMFRJLHKOAJE-CQSZACIVSA-N -1 3 363.439 0.258 10 0 FCAEHM Cc1nc(C[N-]S(=O)(=O)C[C@@H]2CN(C)CCO2)nc2ccccc12 ZINC000631882367 492869008 /nfs/dbraw/zinc/86/90/08/492869008.db2.gz YUQCKULQRVHJAR-ZDUSSCGKSA-N -1 3 350.444 0.688 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1c[nH]c(=O)s1)N1CCc2ccccc2C1 ZINC000631882641 492869576 /nfs/dbraw/zinc/86/95/76/492869576.db2.gz IAGRHWWNURFCTA-UHFFFAOYSA-N -1 3 353.425 0.712 10 0 FCAEHM COCCN1CCC[C@H]([N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)C1 ZINC000631909548 492875646 /nfs/dbraw/zinc/87/56/46/492875646.db2.gz HYSGJVDXQSPHBL-JTQLQIEISA-N -1 3 370.397 0.828 10 0 FCAEHM O=C1[C@H]([N-]S(=O)(=O)C[C@@H]2CNCCO2)CCN1c1ccccc1Cl ZINC000631919831 492885086 /nfs/dbraw/zinc/88/50/86/492885086.db2.gz ZQGDZAMZNGFIMS-WCQYABFASA-N -1 3 373.862 0.353 10 0 FCAEHM CCN1C[C@H](S(=O)(=O)[N-]C(C)(C)C(=O)Nc2ccccc2)CC1=O ZINC000631927018 492887799 /nfs/dbraw/zinc/88/77/99/492887799.db2.gz NLURGVXNCILHOS-CYBMUJFWSA-N -1 3 353.444 0.944 10 0 FCAEHM CCN1C[C@H](S(=O)(=O)[N-][C@@H](Cc2ccccc2)C(=O)N(C)C)CC1=O ZINC000631930292 492889859 /nfs/dbraw/zinc/88/98/59/492889859.db2.gz CRPDXGDQMAPWEX-CABCVRRESA-N -1 3 367.471 0.226 10 0 FCAEHM CO[C@]1(CO)CCCN(C(=O)C(=O)[N-]c2nccn2-c2ccccc2)C1 ZINC000658440568 492891805 /nfs/dbraw/zinc/89/18/05/492891805.db2.gz FBMDMBZWZZMTRB-GOSISDBHSA-N -1 3 358.398 0.811 10 0 FCAEHM O=S(=O)(C[C@@H]1CNCCO1)[N-][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000631958673 492898370 /nfs/dbraw/zinc/89/83/70/492898370.db2.gz ACOODVNKNKQXFW-GLQYFDAESA-N -1 3 362.398 0.703 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@]2(C)CCS(=O)(=O)C2)coc1C(=O)N(C)C ZINC000645433404 492905243 /nfs/dbraw/zinc/90/52/43/492905243.db2.gz LHKQHZVIOCECDC-CYBMUJFWSA-N -1 3 364.445 0.145 10 0 FCAEHM CC[C@H](CO)[N-]S(=O)(=O)c1c(C)nn2cc(Br)cnc12 ZINC000631999204 492907389 /nfs/dbraw/zinc/90/73/89/492907389.db2.gz XEPWAVYMKYPKGN-SECBINFHSA-N -1 3 363.237 0.849 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CCCN2CCCC2=O)coc1C(=O)N(C)C ZINC000645450702 492907966 /nfs/dbraw/zinc/90/79/66/492907966.db2.gz YUAGSJBUXNAXLT-UHFFFAOYSA-N -1 3 357.432 0.581 10 0 FCAEHM O=C1C[C@@H](S(=O)(=O)[N-][C@@H](CO)c2cc(F)ccc2F)CN1C1CC1 ZINC000632004267 492908105 /nfs/dbraw/zinc/90/81/05/492908105.db2.gz DUOVCMJBTMCRND-RISCZKNCSA-N -1 3 360.382 0.681 10 0 FCAEHM C[C@@H]1C[C@H]([N-]S(=O)(=O)C[C@H]2CN(C)CCO2)C(=O)N1c1ccccc1 ZINC000632037395 492916646 /nfs/dbraw/zinc/91/66/46/492916646.db2.gz VPWZMEDGUWQESK-BMFZPTHFSA-N -1 3 367.471 0.430 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@@H]2CCN(C(C)C)C2=O)coc1C(=O)N(C)C ZINC000645539605 492923237 /nfs/dbraw/zinc/92/32/37/492923237.db2.gz NFBGMTSFQKUJDD-LLVKDONJSA-N -1 3 357.432 0.577 10 0 FCAEHM CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cc([O-])cc(F)c2)CC1 ZINC000632112806 492932125 /nfs/dbraw/zinc/93/21/25/492932125.db2.gz JCJCDJXYTYPQPQ-HNNXBMFYSA-N -1 3 371.434 0.458 10 0 FCAEHM COC1(C[N-]S(=O)(=O)c2coc(C(=O)N(C)C)c2C)CCOCC1 ZINC000645614491 492940313 /nfs/dbraw/zinc/94/03/13/492940313.db2.gz GGTAODQBSIPKMW-UHFFFAOYSA-N -1 3 360.432 0.764 10 0 FCAEHM CCNC(=O)C(C)(C)C[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000645615705 492941440 /nfs/dbraw/zinc/94/14/40/492941440.db2.gz SWYGDYKFKSLVPZ-UHFFFAOYSA-N -1 3 359.448 0.730 10 0 FCAEHM CCc1cc(S(=O)(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)c(C)cc1OC ZINC000632189168 492947600 /nfs/dbraw/zinc/94/76/00/492947600.db2.gz ZEWZJKJFFXEKFG-LBPRGKRZSA-N -1 3 367.427 0.491 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]C[C@@H]1CC(=O)N(C2CC2)C1 ZINC000632193080 492948542 /nfs/dbraw/zinc/94/85/42/492948542.db2.gz ANSSUWTXKFWBRL-QMMMGPOBSA-N -1 3 366.365 0.728 10 0 FCAEHM Cc1cn2c(n1)C[C@@H](C(=O)NCC[N-]S(=O)(=O)c1cccs1)CC2 ZINC000626223514 492949716 /nfs/dbraw/zinc/94/97/16/492949716.db2.gz IAFRNXLIUMDJAF-LBPRGKRZSA-N -1 3 368.484 0.910 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]CCN1CCOC(C)(C)C1 ZINC000632255614 492958838 /nfs/dbraw/zinc/95/88/38/492958838.db2.gz YOQBGSYYQDKZCB-UHFFFAOYSA-N -1 3 370.397 0.828 10 0 FCAEHM C[C@H]1CN(CC[N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)CCO1 ZINC000632254996 492958984 /nfs/dbraw/zinc/95/89/84/492958984.db2.gz GSFCTJUQSXGDOD-VIFPVBQESA-N -1 3 356.370 0.438 10 0 FCAEHM CCOC1CC(O)(C[N-]S(=O)(=O)c2coc(C(=O)N(C)C)c2C)C1 ZINC000645684111 492959270 /nfs/dbraw/zinc/95/92/70/492959270.db2.gz RCSFLJMBZKVAMJ-UHFFFAOYSA-N -1 3 360.432 0.498 10 0 FCAEHM C[C@]1(C[C@H]2CCCN2S(=O)(=O)CCOCC2CCC2)NC(=O)[N-]C1=O ZINC000645713343 492964953 /nfs/dbraw/zinc/96/49/53/492964953.db2.gz KKHFIYUYLGNJKZ-CZUORRHYSA-N -1 3 373.475 0.586 10 0 FCAEHM CCNC(=O)[C@@H]([N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C)C(C)C ZINC000645731595 492967660 /nfs/dbraw/zinc/96/76/60/492967660.db2.gz VTIBVXGPENUIOE-LBPRGKRZSA-N -1 3 359.448 0.729 10 0 FCAEHM CCN(C)C(=O)[C@@H]([N-]S(=O)(=O)C[C@H](OC)C1CCOCC1)C(C)C ZINC000645742956 492968669 /nfs/dbraw/zinc/96/86/69/492968669.db2.gz OHJOBXHAWLWVRW-GJZGRUSLSA-N -1 3 364.508 0.850 10 0 FCAEHM CCNS(=O)(=O)c1cccc(C[N-]S(=O)(=O)c2cscn2)c1 ZINC000645752779 492970407 /nfs/dbraw/zinc/97/04/07/492970407.db2.gz CIXGQJHOXBJTRY-UHFFFAOYSA-N -1 3 361.470 0.920 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)Cc1ncsc1Br)C(=O)NCCF ZINC000632309235 492970482 /nfs/dbraw/zinc/97/04/82/492970482.db2.gz YWHQLHCNJCQBHW-ZCFIWIBFSA-N -1 3 374.257 0.799 10 0 FCAEHM O=c1[nH]cc(S(=O)(=O)[N-]C[C@@H](N2CCOCC2)C(F)(F)F)s1 ZINC000632334178 492975612 /nfs/dbraw/zinc/97/56/12/492975612.db2.gz YRKQJAFHFZIGMU-SSDOTTSWSA-N -1 3 361.367 0.390 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CC(C)(C)[C@]2(O)CCOC2)coc1C(=O)N(C)C ZINC000645839009 492982189 /nfs/dbraw/zinc/98/21/89/492982189.db2.gz YHXDWDNKLMJZCH-INIZCTEOSA-N -1 3 374.459 0.746 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-][C@H]1C[C@H]2CCCCN2C1=O ZINC000632434317 492996901 /nfs/dbraw/zinc/99/69/01/492996901.db2.gz RJKPWLVJQUBJES-SCZZXKLOSA-N -1 3 366.365 0.871 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CC[C@@H](N3CCC3)[C@@H](F)C2)cn1 ZINC000626680848 493007391 /nfs/dbraw/zinc/00/73/91/493007391.db2.gz WFZXYGBSUWGHMS-QWHCGFSZSA-N -1 3 356.423 0.711 10 0 FCAEHM CC1(C)[C@H]([N-]S(=O)(=O)c2cnn3c2OCCC3)C[C@@H]1N1CCOCC1 ZINC000632503159 493015406 /nfs/dbraw/zinc/01/54/06/493015406.db2.gz WONJDBUAZICWKF-KGLIPLIRSA-N -1 3 370.475 0.443 10 0 FCAEHM O=C(NC[C@H]1CN2CCN1CCC2)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000646121942 493017103 /nfs/dbraw/zinc/01/71/03/493017103.db2.gz ZVOCLBOFXVDLPB-RDJZCZTQSA-N -1 3 372.469 0.503 10 0 FCAEHM COC[C@@H]1C[C@@H](O)CN1C(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2C ZINC000652779870 493018706 /nfs/dbraw/zinc/01/87/06/493018706.db2.gz XAIZXCAWSPKSAJ-WDEREUQCSA-N -1 3 374.397 0.133 10 0 FCAEHM CN1CCO[C@@H](CS(=O)(=O)[N-][C@H]2CCc3ccccc3NC2=O)C1 ZINC000632536568 493023708 /nfs/dbraw/zinc/02/37/08/493023708.db2.gz PHLRAWHEOWWVRZ-HIFRSBDPSA-N -1 3 353.444 0.190 10 0 FCAEHM CCN1C[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC1=O ZINC000652833540 493026230 /nfs/dbraw/zinc/02/62/30/493026230.db2.gz PNVMVQUKKOGCMX-HIFRSBDPSA-N -1 3 359.426 0.981 10 0 FCAEHM COC1(CS(=O)(=O)[N-]C[C@]2(CO)COCC3(CCC3)N2C)CCC1 ZINC000632592053 493039446 /nfs/dbraw/zinc/03/94/46/493039446.db2.gz ANDKJZAGJLUMCQ-HNNXBMFYSA-N -1 3 362.492 0.091 10 0 FCAEHM C[C@H]1C(=O)N(C)CN1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000646331183 493041160 /nfs/dbraw/zinc/04/11/60/493041160.db2.gz GLNQAFJBPXPUEN-VIFPVBQESA-N -1 3 370.406 0.918 10 0 FCAEHM COCCOc1ccc(F)cc1S(=O)(=O)[N-]CCn1cnccc1=O ZINC000632635209 493054031 /nfs/dbraw/zinc/05/40/31/493054031.db2.gz LYXMHMFYLLZOTL-UHFFFAOYSA-N -1 3 371.390 0.386 10 0 FCAEHM CC1(C)CN(C(=O)CC[N-]S(=O)(=O)c2cccs2)[C@@H]2COC[C@H]2O1 ZINC000653005382 493057689 /nfs/dbraw/zinc/05/76/89/493057689.db2.gz LXFOFECCDZYHLI-VXGBXAGGSA-N -1 3 374.484 0.821 10 0 FCAEHM COCCN(C)CCN1C[C@@H]([N-]S(=O)(=O)c2ccc(C)o2)CC1=O ZINC000632726971 493078527 /nfs/dbraw/zinc/07/85/27/493078527.db2.gz SDSVBICEOVTKJC-ZDUSSCGKSA-N -1 3 359.448 0.045 10 0 FCAEHM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)c1 ZINC000646930943 493129048 /nfs/dbraw/zinc/12/90/48/493129048.db2.gz RWASPWSTIGXSII-RISCZKNCSA-N -1 3 353.444 0.419 10 0 FCAEHM O=C(NCc1ncccc1[O-])C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659080614 493144211 /nfs/dbraw/zinc/14/42/11/493144211.db2.gz BGEWWERDDGECOR-INIZCTEOSA-N -1 3 356.382 0.703 10 0 FCAEHM C[C@@]1(c2cccc(NC(=O)CN3CCN(C4CC4)C3=O)c2)NC(=O)[N-]C1=O ZINC000666439734 493184006 /nfs/dbraw/zinc/18/40/06/493184006.db2.gz IPVNNXKTVXCBQU-SFHVURJKSA-N -1 3 371.397 0.580 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]Cc2nncn2C(C)C)coc1C(=O)N(C)C ZINC000647277529 493189293 /nfs/dbraw/zinc/18/92/93/493189293.db2.gz PECAQOWWGBTQAD-UHFFFAOYSA-N -1 3 355.420 0.941 10 0 FCAEHM O=C(NCCO[C@H]1CC1(F)F)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000666513136 493196243 /nfs/dbraw/zinc/19/62/43/493196243.db2.gz MYJHPYIRYUKHOB-RYUDHWBXSA-N -1 3 368.340 0.983 10 0 FCAEHM CC(C)CN1CCO[C@H](CNC(=O)CN2CC[C@@H](C)[C@@H](C(=O)[O-])C2)C1 ZINC000647368120 493197547 /nfs/dbraw/zinc/19/75/47/493197547.db2.gz WVMHXUBGYCKLTJ-OAGGEKHMSA-N -1 3 355.479 0.502 10 0 FCAEHM CC(C)CN1CCO[C@@H](CNC(=O)CN2CCC(C)(C(=O)[O-])CC2)C1 ZINC000647376602 493199299 /nfs/dbraw/zinc/19/92/99/493199299.db2.gz VUOQHUIKPHKOJH-HNNXBMFYSA-N -1 3 355.479 0.646 10 0 FCAEHM Cc1cc(C(=O)N2CC[C@H](N(C)Cc3cc(=O)[n-]c(N(C)C)n3)C2)nn1C ZINC000681934909 493249113 /nfs/dbraw/zinc/24/91/13/493249113.db2.gz ACKVVLWMYICYGM-AWEZNQCLSA-N -1 3 373.461 0.637 10 0 FCAEHM CC(=O)N1CC[C@@H](C[N-]S(=O)(=O)c2cccnc2OCC(F)F)C1 ZINC000641604418 493263955 /nfs/dbraw/zinc/26/39/55/493263955.db2.gz OLMMMTXISNMLKW-NSHDSACASA-N -1 3 363.386 0.872 10 0 FCAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H]3CCN=C4C3=NNN4C)cc2)n1 ZINC000667199857 493265894 /nfs/dbraw/zinc/26/58/94/493265894.db2.gz XKRUQXYOLFRZDC-ZDUSSCGKSA-N -1 3 365.397 0.908 10 0 FCAEHM CN1C(=O)N=NC1C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000641654099 493270998 /nfs/dbraw/zinc/27/09/98/493270998.db2.gz UCBIBCYJDHOLDQ-UHFFFAOYSA-N -1 3 353.223 0.823 10 0 FCAEHM CC(C)O[C@]1(CS(=O)(=O)[N-][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)CCOC1 ZINC000659918222 493303082 /nfs/dbraw/zinc/30/30/82/493303082.db2.gz BKEFAMBVHHXNLK-IXYNUQLISA-N -1 3 360.476 0.499 10 0 FCAEHM Cn1cc(CCC(=O)NCc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)nn1 ZINC000667894739 493307398 /nfs/dbraw/zinc/30/73/98/493307398.db2.gz ARDADNDUYJYYBQ-QGZVFWFLSA-N -1 3 356.386 0.119 10 0 FCAEHM CCc1nc(S(=O)(=O)[N-]C[C@H]2CCCCN2CCO)cn1CC1CC1 ZINC000659970361 493309939 /nfs/dbraw/zinc/30/99/39/493309939.db2.gz KDRIDLVVDJPLQZ-OAHLLOKOSA-N -1 3 370.519 0.981 10 0 FCAEHM CCc1nc(S(=O)(=O)[N-]Cc2nc(C(N)=O)co2)cn1CC1CC1 ZINC000659987885 493311691 /nfs/dbraw/zinc/31/16/91/493311691.db2.gz OBNVFWZTHITHNL-UHFFFAOYSA-N -1 3 353.404 0.421 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)cn1C ZINC000660034786 493317415 /nfs/dbraw/zinc/31/74/15/493317415.db2.gz MUUKOTKDGKWVPM-ZIAGYGMSSA-N -1 3 354.476 0.650 10 0 FCAEHM CCC[C@H](C)N1C[C@H](C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)CC1=O ZINC000684079242 493392524 /nfs/dbraw/zinc/39/25/24/493392524.db2.gz NRXIJZBIYCCBOP-XWCIJXRUSA-N -1 3 350.419 0.224 10 0 FCAEHM NS(=O)(=O)c1ccccc1N1CCN(C(=O)c2csc(=O)[n-]2)CC1 ZINC000684321078 493407609 /nfs/dbraw/zinc/40/76/09/493407609.db2.gz LCIQKWHZWJLQEG-UHFFFAOYSA-N -1 3 368.440 0.459 10 0 FCAEHM Cc1nc(C)c(S(=O)(=O)[N-]CCCN2CCCS2(=O)=O)s1 ZINC000674341313 493409583 /nfs/dbraw/zinc/40/95/83/493409583.db2.gz UGTYOKXRRUKLCT-UHFFFAOYSA-N -1 3 353.491 0.464 10 0 FCAEHM O=C(CC[C@@H]1NC(=O)[N-]C1=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC000684703086 493429314 /nfs/dbraw/zinc/42/93/14/493429314.db2.gz LZCOMYBSCCDNKX-SOUVJXGZSA-N -1 3 353.382 0.833 10 0 FCAEHM Cn1nncc1CC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000669090923 493462303 /nfs/dbraw/zinc/46/23/03/493462303.db2.gz QVHZWSXVTCSJHK-UHFFFAOYSA-N -1 3 353.379 0.576 10 0 FCAEHM C[C@@H]1COCC[C@H]1S(=O)(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000685298241 493473879 /nfs/dbraw/zinc/47/38/79/493473879.db2.gz SZEUKXBFMWLZKR-CZUORRHYSA-N -1 3 368.455 0.905 10 0 FCAEHM CN1CC[C@H](N[C@@H]2CCN(CC(=O)[O-])C2=O)[C@@H]1c1ccc(F)c(F)c1 ZINC000662210495 493496636 /nfs/dbraw/zinc/49/66/36/493496636.db2.gz GUMBRLDARVRRBF-LZWOXQAQSA-N -1 3 353.369 0.985 10 0 FCAEHM CS(=O)(=O)N(CCN1C[C@@H]2COC[C@]2(C(=O)[O-])C1)Cc1ccccc1 ZINC000662218960 493497199 /nfs/dbraw/zinc/49/71/99/493497199.db2.gz GKMJYRFSFHINMM-NVXWUHKLSA-N -1 3 368.455 0.481 10 0 FCAEHM CC1(F)CN(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000669608112 493513773 /nfs/dbraw/zinc/51/37/73/493513773.db2.gz GZZPWGLOUKHRSK-UHFFFAOYSA-N -1 3 351.350 0.997 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCC[C@@H](OC(F)F)C1 ZINC000685821633 493517612 /nfs/dbraw/zinc/51/76/12/493517612.db2.gz BNGLFLJBQMEALY-SNVBAGLBSA-N -1 3 367.374 0.800 10 0 FCAEHM NC(=O)c1coc(CNC(=O)C[N-]S(=O)(=O)c2ccccc2F)c1 ZINC000685827790 493518569 /nfs/dbraw/zinc/51/85/69/493518569.db2.gz NFBXCNKPVNNNEG-UHFFFAOYSA-N -1 3 355.347 0.112 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCc1cncnc1N ZINC000676206571 493530305 /nfs/dbraw/zinc/53/03/05/493530305.db2.gz LHZWQDGNGYEXEN-VIFPVBQESA-N -1 3 353.379 0.181 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@H]2CCc3cc(N)ccc32)cn1C ZINC000662672342 493531171 /nfs/dbraw/zinc/53/11/71/493531171.db2.gz SRISRLLABQKOAQ-AWEZNQCLSA-N -1 3 363.443 0.393 10 0 FCAEHM COCCCS(=O)(=O)[N-]CC(=O)Nc1cccc(N2CCOCC2)c1 ZINC000676249795 493535215 /nfs/dbraw/zinc/53/52/15/493535215.db2.gz ISJDKDKDTRHIJA-UHFFFAOYSA-N -1 3 371.459 0.418 10 0 FCAEHM CCN1CC[C@H]([N-]S(=O)(=O)c2ccc([C@H](C)NC(C)=O)s2)C1=O ZINC000669984874 493538947 /nfs/dbraw/zinc/53/89/47/493538947.db2.gz KQOKVDKUFFLTCE-ONGXEEELSA-N -1 3 359.473 0.844 10 0 FCAEHM C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])[C@@H]1CN(C)CCO1 ZINC000676349303 493546691 /nfs/dbraw/zinc/54/66/91/493546691.db2.gz VJIGLIHYVDVYIO-LXZKKBNFSA-N -1 3 361.442 0.832 10 0 FCAEHM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC[C@H](O)CN1CCCCC1 ZINC000676396630 493548897 /nfs/dbraw/zinc/54/88/97/493548897.db2.gz ZLEJVXLBSJAZKY-AWEZNQCLSA-N -1 3 361.446 0.557 10 0 FCAEHM CC12CC(C1)CN2S(=O)(=O)CCCCS(=O)(=O)[N-]c1cn[nH]c1 ZINC000662878430 493549058 /nfs/dbraw/zinc/54/90/58/493549058.db2.gz RFRGZUNAVWENLO-UHFFFAOYSA-N -1 3 362.477 0.746 10 0 FCAEHM CNC(=O)[C@@H]([N-]S(=O)(=O)c1ccc([C@@H](C)NC(C)=O)s1)C(C)C ZINC000676420111 493550685 /nfs/dbraw/zinc/55/06/85/493550685.db2.gz LZYXYTLNTOYPTM-RNCFNFMXSA-N -1 3 361.489 0.994 10 0 FCAEHM COCCN(CCN(C)C)C(=O)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000662903883 493550795 /nfs/dbraw/zinc/55/07/95/493550795.db2.gz HFMSEVFXGNYIPH-UHFFFAOYSA-N -1 3 357.451 0.126 10 0 FCAEHM CN(CCO)Cc1cc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)ccc1Cl ZINC000670382590 493559951 /nfs/dbraw/zinc/55/99/51/493559951.db2.gz WFOINNHANFCDCZ-LBPRGKRZSA-N -1 3 354.794 0.301 10 0 FCAEHM CN(C1CC1)S(=O)(=O)[N-][C@@H](c1nc(-c2nc[nH]n2)no1)C(C)(C)C ZINC000676732361 493569133 /nfs/dbraw/zinc/56/91/33/493569133.db2.gz OHCYHKOTAUQSAY-VIFPVBQESA-N -1 3 355.424 0.871 10 0 FCAEHM C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663629017 493607095 /nfs/dbraw/zinc/60/70/95/493607095.db2.gz IKANSONQYYRABU-DZGCQCFKSA-N -1 3 353.463 0.840 10 0 FCAEHM C[C@H](CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1)N1CCC[C@@H](C)C1 ZINC000663632558 493607547 /nfs/dbraw/zinc/60/75/47/493607547.db2.gz KBSKNRMEERVPIU-UMVBOHGHSA-N -1 3 353.463 0.840 10 0 FCAEHM O=C([O-])[C@@H](CNC(=O)C(=O)N1CCN(c2ccncc2)CC1)C1CCC1 ZINC000663633704 493607856 /nfs/dbraw/zinc/60/78/56/493607856.db2.gz RTRLFZBZWUHKNJ-HNNXBMFYSA-N -1 3 360.414 0.347 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)Nc2cnn(C)c2C(F)F)cn1C ZINC000677606077 493610643 /nfs/dbraw/zinc/61/06/43/493610643.db2.gz UKJPKJVGSAJIKC-UHFFFAOYSA-N -1 3 362.362 0.317 10 0 FCAEHM CC(C)C[C@@H]([N-]S(=O)(=O)N(C)C1CC1)c1nc(-c2nc[nH]n2)no1 ZINC000678491924 493646104 /nfs/dbraw/zinc/64/61/04/493646104.db2.gz XMMKHELSSNVDCG-SNVBAGLBSA-N -1 3 355.424 0.871 10 0 FCAEHM Cn1nnnc1CC[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000678494125 493646500 /nfs/dbraw/zinc/64/65/00/493646500.db2.gz URVUYJUGXRDWSR-UHFFFAOYSA-N -1 3 370.822 0.269 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)NCC1CCC(O)CC1 ZINC000664501431 493663715 /nfs/dbraw/zinc/66/37/15/493663715.db2.gz HXXAVPKAQHCFRW-UHFFFAOYSA-N -1 3 361.489 0.877 10 0 FCAEHM O=C(c1nnn(C2CC2)c1C(F)(F)F)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000679311519 493674652 /nfs/dbraw/zinc/67/46/52/493674652.db2.gz DIASQXMOFKRBEC-SSDOTTSWSA-N -1 3 358.280 0.008 10 0 FCAEHM Cn1cc(CCc2nc(-c3cccc([C@]4(C)NC(=O)[N-]C4=O)c3)no2)nn1 ZINC000664780291 493682895 /nfs/dbraw/zinc/68/28/95/493682895.db2.gz PPTXURBOCLCKGV-KRWDZBQOSA-N -1 3 367.369 0.705 10 0 FCAEHM COCCOCc1cc(-c2noc(C[C@@H]3NC(=O)[N-]C3=O)n2)ccc1F ZINC000664965950 493692308 /nfs/dbraw/zinc/69/23/08/493692308.db2.gz VHCRVMPEENWYFG-LBPRGKRZSA-N -1 3 364.333 0.789 10 0 FCAEHM CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CC1 ZINC000665324068 493709432 /nfs/dbraw/zinc/70/94/32/493709432.db2.gz LDXVUVUJBNNYDG-HUUCEWRRSA-N -1 3 366.462 0.435 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H](C(F)(F)F)OC[C@@H]2C)cn1 ZINC000672185022 493741444 /nfs/dbraw/zinc/74/14/44/493741444.db2.gz GAVSTZNHARHTGO-WPRPVWTQSA-N -1 3 367.349 0.782 10 0 FCAEHM C[C@H](COc1c(F)cccc1F)NC(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000666329914 493772319 /nfs/dbraw/zinc/77/23/19/493772319.db2.gz ZOZNEVRVVNGLAU-SKDRFNHKSA-N -1 3 368.340 0.678 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000935818008 674330238 /nfs/dbraw/zinc/33/02/38/674330238.db2.gz CDAOFORXDNZETM-LIIPTPMRSA-N -1 3 372.393 0.783 10 0 FCAEHM Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)Nc1[n-]nnc1C(N)=O)CC2 ZINC000410855545 534620058 /nfs/dbraw/zinc/62/00/58/534620058.db2.gz CJSLDCIFTHIUAQ-ZCFIWIBFSA-N -1 3 369.307 0.764 10 0 FCAEHM Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)Nc1nn[n-]c1C(N)=O)CC2 ZINC000410855545 534620061 /nfs/dbraw/zinc/62/00/61/534620061.db2.gz CJSLDCIFTHIUAQ-ZCFIWIBFSA-N -1 3 369.307 0.764 10 0 FCAEHM Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)Nc1n[n-]nc1C(N)=O)CC2 ZINC000410855545 534620063 /nfs/dbraw/zinc/62/00/63/534620063.db2.gz CJSLDCIFTHIUAQ-ZCFIWIBFSA-N -1 3 369.307 0.764 10 0 FCAEHM CN(C)c1nc(CN(C)[C@H]2CCN(C(=O)C3=COCCC3)C2)cc(=O)[n-]1 ZINC000276383745 522335375 /nfs/dbraw/zinc/33/53/75/522335375.db2.gz JKWQJFYYEULYIF-HNNXBMFYSA-N -1 3 361.446 0.975 10 0 FCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412291860 527730657 /nfs/dbraw/zinc/73/06/57/527730657.db2.gz SSRNZSPRQPLMAR-NXEZZACHSA-N -1 3 350.371 0.781 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCO[C@H]([C@H](C)O)C1 ZINC000411954447 528125337 /nfs/dbraw/zinc/12/53/37/528125337.db2.gz QXJQCWFCGIRFMV-QWRGUYRKSA-N -1 3 370.427 0.780 10 0 FCAEHM CCN1CCN(c2ccc(C(=O)Nc3n[n-]nc3C(N)=O)cc2F)CC1 ZINC000410854855 529152946 /nfs/dbraw/zinc/15/29/46/529152946.db2.gz ARWDUTRCBDJLIU-UHFFFAOYSA-N -1 3 361.381 0.437 10 0 FCAEHM CC(C)COC[C@H](O)C[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000443381532 535200002 /nfs/dbraw/zinc/20/00/02/535200002.db2.gz HGCMAVRYUWTZPE-GFCCVEGCSA-N -1 3 365.473 0.402 10 0 FCAEHM CCCC(=O)NCC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000441805399 535344667 /nfs/dbraw/zinc/34/46/67/535344667.db2.gz YEDCRRNYJZQJCP-UHFFFAOYSA-N -1 3 363.386 0.276 10 0 FCAEHM CCNC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2csnc2C(=O)OC)C1 ZINC000443491757 535791835 /nfs/dbraw/zinc/79/18/35/535791835.db2.gz OOBVOWMDLBQLHI-MRVPVSSYSA-N -1 3 362.433 0.012 10 0 FCAEHM COC[C@@](C)(O)CCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000452350550 536810159 /nfs/dbraw/zinc/81/01/59/536810159.db2.gz YJLIDZUTXSWSNQ-MFKMUULPSA-N -1 3 350.462 0.319 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCc1csc(=O)[nH]1 ZINC000125966914 546544095 /nfs/dbraw/zinc/54/40/95/546544095.db2.gz ZWKZZGFQQNECIT-QMMMGPOBSA-N -1 3 359.404 0.559 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNS(=O)(=O)N2CCC[C@H](C)C2)s1 ZINC000408097661 546591804 /nfs/dbraw/zinc/59/18/04/546591804.db2.gz AHTBQGPZYHWNSM-JTQLQIEISA-N -1 3 367.518 0.723 10 0 FCAEHM CN(CC1CC1)S(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)c1ccnn1C ZINC000592106607 546608457 /nfs/dbraw/zinc/60/84/57/546608457.db2.gz WZJIFRCQZWMRGS-ZDUSSCGKSA-N -1 3 358.464 0.979 10 0 FCAEHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(CN(C)C)cc1)c1ccnn1C ZINC000592092884 546609119 /nfs/dbraw/zinc/60/91/19/546609119.db2.gz QSIMLZFLRAYYTA-OAHLLOKOSA-N -1 3 366.443 0.674 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](CC(C)(C)C)C(=O)OC)cn1 ZINC000592835006 546669405 /nfs/dbraw/zinc/66/94/05/546669405.db2.gz ONJFXYHNURTLQC-NSHDSACASA-N -1 3 357.432 0.697 10 0 FCAEHM CC[C@H](CNC(=O)Cn1cc(Br)c(=O)[n-]c1=O)C(=O)OC ZINC000592864887 546671015 /nfs/dbraw/zinc/67/10/15/546671015.db2.gz IAEBTOWBAOCASS-SSDOTTSWSA-N -1 3 362.180 0.027 10 0 FCAEHM COC(=O)[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccnn1C ZINC000592892616 546673000 /nfs/dbraw/zinc/67/30/00/546673000.db2.gz UYXKXYQIEFPFGD-ZDUSSCGKSA-N -1 3 366.399 0.436 10 0 FCAEHM COC[C@@](C)(CC(=O)OC)[N-]S(=O)(=O)CC1(OC)CCOCC1 ZINC000593562058 546715756 /nfs/dbraw/zinc/71/57/56/546715756.db2.gz RIPXWJMKJUBZCK-CYBMUJFWSA-N -1 3 353.437 0.070 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-]Cc2ncc3c(n2)CCOC3)oc1C ZINC000593626531 546723658 /nfs/dbraw/zinc/72/36/58/546723658.db2.gz CUTRGCSNZHDUGS-UHFFFAOYSA-N -1 3 367.383 0.716 10 0 FCAEHM CCOC(=O)[C@@H](CC1(OC)CCC1)[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000593651709 546727658 /nfs/dbraw/zinc/72/76/58/546727658.db2.gz SSUOWQBIQVEIQQ-GFCCVEGCSA-N -1 3 359.448 0.898 10 0 FCAEHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]CC[C@]2(O)CCOC2)s1 ZINC000593636087 546733115 /nfs/dbraw/zinc/73/31/15/546733115.db2.gz CHMHYVUNIVFTEL-ZDUSSCGKSA-N -1 3 365.429 0.363 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1C[C@H](O)C[C@H]1COC ZINC000593690465 546738031 /nfs/dbraw/zinc/73/80/31/546738031.db2.gz ZBLRPVXSQSISKM-WDEREUQCSA-N -1 3 370.427 0.780 10 0 FCAEHM COC(=O)[C@H](CCF)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000593798316 546751828 /nfs/dbraw/zinc/75/18/28/546751828.db2.gz BDGKVJCWTDOTQV-IUCAKERBSA-N -1 3 352.409 0.432 10 0 FCAEHM COC(=O)[C@@H](O)C[N-]S(=O)(=O)Cc1cccc(Br)c1C ZINC000594465277 546790349 /nfs/dbraw/zinc/79/03/49/546790349.db2.gz DCNSJUXAIZEJDI-NSHDSACASA-N -1 3 366.233 0.711 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]Cc1nnn(C(C)(C)C)n1 ZINC000594476887 546795473 /nfs/dbraw/zinc/79/54/73/546795473.db2.gz YKKHDBKVHGWKKC-UHFFFAOYSA-N -1 3 371.419 0.903 10 0 FCAEHM CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1cnc2n1CCC2)C(F)(F)F ZINC000594697158 546816491 /nfs/dbraw/zinc/81/64/91/546816491.db2.gz AANZXXRRPWMFHD-MRVPVSSYSA-N -1 3 355.338 0.992 10 0 FCAEHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@H]2CCNC2=O)c1OC ZINC000594789703 546824814 /nfs/dbraw/zinc/82/48/14/546824814.db2.gz CXHRNRIESMEORZ-VIFPVBQESA-N -1 3 362.791 0.302 10 0 FCAEHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C[C@@H](OC)[C@H]1CCOC1 ZINC000594805129 546828487 /nfs/dbraw/zinc/82/84/87/546828487.db2.gz VHBKCNPVGVWFRJ-CMPLNLGQSA-N -1 3 361.391 0.942 10 0 FCAEHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@@H]1CCO[C@@H]1C(=O)OC ZINC000594824791 546837163 /nfs/dbraw/zinc/83/71/63/546837163.db2.gz RUSSOINEGSCDQJ-PELKAZGASA-N -1 3 361.372 0.237 10 0 FCAEHM COC(=O)c1cccc(CS(=O)(=O)[N-][C@H]2CCO[C@H]2C(=O)OC)c1 ZINC000594825144 546837235 /nfs/dbraw/zinc/83/72/35/546837235.db2.gz YPASRERHTKWZNG-QWHCGFSZSA-N -1 3 357.384 0.223 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)c1 ZINC000333560814 546862885 /nfs/dbraw/zinc/86/28/85/546862885.db2.gz WHQFXLCPKZTKQU-DVZHBHJUSA-N -1 3 352.460 0.593 10 0 FCAEHM CCOc1ccc(S(=O)(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c(C)c1 ZINC000433445696 546923306 /nfs/dbraw/zinc/92/33/06/546923306.db2.gz CFRCZPSTNKRAPY-INIZCTEOSA-N -1 3 367.427 0.756 10 0 FCAEHM CN(C)c1nc(C(=O)Nc2ccnn2[C@H]2CCS(=O)(=O)C2)cc(=O)[n-]1 ZINC000546619841 547044077 /nfs/dbraw/zinc/04/40/77/547044077.db2.gz FLDGFHHCNVUVLY-VIFPVBQESA-N -1 3 366.403 0.057 10 0 FCAEHM O=C(NCCOc1ccc(F)cc1F)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000546846435 547046998 /nfs/dbraw/zinc/04/69/98/547046998.db2.gz AZDRSFVVFPXYCL-LLVKDONJSA-N -1 3 354.313 0.289 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)o1 ZINC000553547896 547287987 /nfs/dbraw/zinc/28/79/87/547287987.db2.gz QPSXBUIEZPZHMP-LLVKDONJSA-N -1 3 351.450 0.137 10 0 FCAEHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)s1 ZINC000553837669 547311453 /nfs/dbraw/zinc/31/14/53/547311453.db2.gz JBNSUSKPGGHHME-SZEHBUNVSA-N -1 3 358.445 0.389 10 0 FCAEHM NC(=O)CCn1ccc(NC(=O)Cc2ccc(Br)cc2[O-])n1 ZINC000548401495 547360094 /nfs/dbraw/zinc/36/00/94/547360094.db2.gz GSOYAWGJZUOVIM-UHFFFAOYSA-N -1 3 367.203 1.408 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-]C[C@@H](O)C2CC2)c1I ZINC000866840118 663137551 /nfs/dbraw/zinc/13/75/51/663137551.db2.gz BVJMZCBXWGOHCL-SSDOTTSWSA-N -1 3 371.200 0.074 10 0 FCAEHM CSC[C@](C)(O)C[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000866850410 663145052 /nfs/dbraw/zinc/14/50/52/663145052.db2.gz ASHKKOHATQRXKG-SECBINFHSA-N -1 3 358.283 0.575 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)c3cc(Br)n[nH]3)CC2)n1 ZINC000924295588 663171739 /nfs/dbraw/zinc/17/17/39/663171739.db2.gz FPEMJLZGUDLDKH-UHFFFAOYSA-N -1 3 367.207 0.939 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1C[C@@H]2CSC[C@@H]2C1 ZINC000899383416 665937130 /nfs/dbraw/zinc/93/71/30/665937130.db2.gz ZWQXWXZQNUUPDM-OCAPTIKFSA-N -1 3 360.233 0.533 10 0 FCAEHM CS(=O)(=O)N1CCCC[C@H]1CNC(=O)c1nnc2ccccc2c1[O-] ZINC000804691636 663228319 /nfs/dbraw/zinc/22/83/19/663228319.db2.gz AHFKUWGSKKKSFN-NSHDSACASA-N -1 3 364.427 0.879 10 0 FCAEHM NS(=O)(=O)c1ccc(CN/C=C2\C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000146101884 663287324 /nfs/dbraw/zinc/28/73/24/663287324.db2.gz SCRWXJHVGZWGNY-GDNBJRDFSA-N -1 3 357.391 0.735 10 0 FCAEHM CC[C@@H](CCO)[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866857446 663466990 /nfs/dbraw/zinc/46/69/90/663466990.db2.gz HXZAVTJDUWDKSX-ZETCQYMHSA-N -1 3 373.216 0.464 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@H]([C@H](C)O)C2)ccc1F ZINC000840567693 663797221 /nfs/dbraw/zinc/79/72/21/663797221.db2.gz UPFVMUCPEASLKR-FZMZJTMJSA-N -1 3 374.434 0.734 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-]Cc2ccon2)c1I ZINC000866909265 665142348 /nfs/dbraw/zinc/14/23/48/665142348.db2.gz IIOQPOSVFITAHZ-UHFFFAOYSA-N -1 3 368.156 0.491 10 0 FCAEHM CS(=O)(=O)CCCOC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000728623156 665154337 /nfs/dbraw/zinc/15/43/37/665154337.db2.gz AWKUEOZGVXORPZ-CYBMUJFWSA-N -1 3 355.412 0.975 10 0 FCAEHM C[C@H]1CN(C2CC2)C[C@@H]1[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000866952847 665241926 /nfs/dbraw/zinc/24/19/26/665241926.db2.gz CQKIGSNTTVCTJT-WPRPVWTQSA-N -1 3 363.281 0.944 10 0 FCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436823152 666034438 /nfs/dbraw/zinc/03/44/38/666034438.db2.gz ZOTBGGPRUZEFHV-RKDXNWHRSA-N -1 3 352.343 0.307 10 0 FCAEHM COc1cccc([O-])c1C(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000908295374 666199566 /nfs/dbraw/zinc/19/95/66/666199566.db2.gz BNQTXOJJGUNEKD-UHFFFAOYSA-N -1 3 357.432 0.355 10 0 FCAEHM COC(OC)C(=O)N1CCN(C(=O)c2cc3c(cc2[O-])OCO3)CC1 ZINC000912356296 666434470 /nfs/dbraw/zinc/43/44/70/666434470.db2.gz OMHAYOPCAVWKJV-UHFFFAOYSA-N -1 3 352.343 0.024 10 0 FCAEHM CCOC(=O)[C@@H](CSC)[N-]S(=O)(=O)C1CCC(C(=O)OC)CC1 ZINC000921377270 666441659 /nfs/dbraw/zinc/44/16/59/666441659.db2.gz OYMKHTSBYKLYSY-HTAVTVPLSA-N -1 3 367.489 0.932 10 0 FCAEHM CCOC(=O)[C@H](CSC)[N-]S(=O)(=O)C1CCC(C(=O)OC)CC1 ZINC000921377271 666441759 /nfs/dbraw/zinc/44/17/59/666441759.db2.gz OYMKHTSBYKLYSY-MCIGGMRASA-N -1 3 367.489 0.932 10 0 FCAEHM CCOC(=O)[C@H](COC)[N-]S(=O)(=O)c1cc(F)c(OC)cc1F ZINC000921380157 666442378 /nfs/dbraw/zinc/44/23/78/666442378.db2.gz IDXXNJSWJHGRHX-JTQLQIEISA-N -1 3 353.343 0.830 10 0 FCAEHM CO[C@]1(C[N-]S(=O)(=O)Cc2c(F)cccc2F)CCS(=O)(=O)C1 ZINC000921467231 666449908 /nfs/dbraw/zinc/44/99/08/666449908.db2.gz QWUOLTODAYECIR-ZDUSSCGKSA-N -1 3 369.411 0.588 10 0 FCAEHM O=C(NCC12COCCN1CCOC2)c1cc([O-])cc(Br)c1 ZINC000913296253 666519873 /nfs/dbraw/zinc/51/98/73/666519873.db2.gz WJKYRMNVZCMXMP-UHFFFAOYSA-N -1 3 371.231 0.986 10 0 FCAEHM CN1CC[C@H](NC(=O)N[N-]C(=O)c2ccccc2Br)C1=O ZINC000163851833 666537620 /nfs/dbraw/zinc/53/76/20/666537620.db2.gz MDJWIDUVECPJTR-JTQLQIEISA-N -1 3 355.192 0.624 10 0 FCAEHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CCC(C(N)=O)CC2)c1 ZINC000731850262 666842890 /nfs/dbraw/zinc/84/28/90/666842890.db2.gz RCDIZYJUAGHTFX-UHFFFAOYSA-N -1 3 358.391 0.935 10 0 FCAEHM COCCCn1c(=O)[n-]nc1SC1CCN(S(C)(=O)=O)CC1 ZINC000916098812 666990831 /nfs/dbraw/zinc/99/08/31/666990831.db2.gz QQLVPIWILWCGQH-UHFFFAOYSA-N -1 3 350.466 0.536 10 0 FCAEHM CCN(CC)C(=O)OCn1cc(I)c(=O)[n-]c1=O ZINC000917810037 667086779 /nfs/dbraw/zinc/08/67/79/667086779.db2.gz KFFNCBADJFEUQB-UHFFFAOYSA-N -1 3 367.143 0.989 10 0 FCAEHM CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nnc(OC)[n-]2)n(C)c1 ZINC000325515334 667131591 /nfs/dbraw/zinc/13/15/91/667131591.db2.gz CFYLRWQOQZJNJZ-UHFFFAOYSA-N -1 3 356.408 0.435 10 0 FCAEHM CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2n[n-]c(OC)n2)n(C)c1 ZINC000325515334 667131595 /nfs/dbraw/zinc/13/15/95/667131595.db2.gz CFYLRWQOQZJNJZ-UHFFFAOYSA-N -1 3 356.408 0.435 10 0 FCAEHM CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nc(OC)n[n-]2)n(C)c1 ZINC000325515334 667131599 /nfs/dbraw/zinc/13/15/99/667131599.db2.gz CFYLRWQOQZJNJZ-UHFFFAOYSA-N -1 3 356.408 0.435 10 0 FCAEHM COc1cc(F)c(S(=O)(=O)[N-]C2CN(c3ccncn3)C2)cc1F ZINC000918872241 667138961 /nfs/dbraw/zinc/13/89/61/667138961.db2.gz SNXYDIYRLXKVSP-UHFFFAOYSA-N -1 3 356.354 0.931 10 0 FCAEHM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000921585354 667140400 /nfs/dbraw/zinc/14/04/00/667140400.db2.gz CPSQMTIYUJAHRE-VRNWYBPDSA-N -1 3 367.415 0.895 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-]C[C@H]2C[C@@H]3COC[C@@H]3O2)c1Br ZINC000921614768 667144770 /nfs/dbraw/zinc/14/47/70/667144770.db2.gz WKJLNAWTQHBRAZ-HLTSFMKQSA-N -1 3 366.237 0.265 10 0 FCAEHM Cc1cc(S(=O)(=O)[N-][C@H](CO)CN2CCOCC2)c(F)cc1F ZINC000918980961 667145839 /nfs/dbraw/zinc/14/58/39/667145839.db2.gz OQADWDHOCGQJHF-NSHDSACASA-N -1 3 350.387 0.245 10 0 FCAEHM O=S(=O)([N-][C@H](CO)CN1CCOCC1)c1cc(Cl)ccc1Cl ZINC000918988883 667149205 /nfs/dbraw/zinc/14/92/05/667149205.db2.gz NIZOGIMJANQNFF-NSHDSACASA-N -1 3 369.270 0.965 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]C[C@H]2CCCS2(=O)=O)c(Br)n1 ZINC000866974776 667171697 /nfs/dbraw/zinc/17/16/97/667171697.db2.gz ZNPPQNTVNMPWJE-SSDOTTSWSA-N -1 3 372.266 0.038 10 0 FCAEHM Cn1ncnc1CCC[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000919521889 667182662 /nfs/dbraw/zinc/18/26/62/667182662.db2.gz KXCIYEWEICXRTO-UHFFFAOYSA-N -1 3 360.237 0.884 10 0 FCAEHM CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]CC(=O)c1cnn(C)c1 ZINC000921681072 667235038 /nfs/dbraw/zinc/23/50/38/667235038.db2.gz JXYYUJGIMVDWBQ-HNNXBMFYSA-N -1 3 369.418 0.919 10 0 FCAEHM Cn1cc(C(=O)C[N-]S(=O)(=O)c2cn(C)nc2Br)cn1 ZINC000921681873 667235454 /nfs/dbraw/zinc/23/54/54/667235454.db2.gz OWQDQHASNXYTOG-UHFFFAOYSA-N -1 3 362.209 0.077 10 0 FCAEHM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]CC(=O)N1CCCCc2ccccc21 ZINC000921694479 667263962 /nfs/dbraw/zinc/26/39/62/667263962.db2.gz ZHEFZZPPZMTCKE-CYBMUJFWSA-N -1 3 367.471 0.752 10 0 FCAEHM O=S(=O)([N-]CCO[C@@H]1CCOC1)c1cccc(Br)n1 ZINC000921882420 667531754 /nfs/dbraw/zinc/53/17/54/667531754.db2.gz NMSDNVUUCOXHEZ-SECBINFHSA-N -1 3 351.222 0.928 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)OC[C@@H]2CCC3(COC3)O2)ccc1F ZINC000922514512 667661769 /nfs/dbraw/zinc/66/17/69/667661769.db2.gz BIRHSACXYUQICD-NSHDSACASA-N -1 3 359.375 0.839 10 0 FCAEHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]C[C@@H](O)c1ccccn1 ZINC000758515231 667769069 /nfs/dbraw/zinc/76/90/69/667769069.db2.gz JXLFCYNHXWSLAV-SNVBAGLBSA-N -1 3 371.802 0.929 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)OCc1noc(-c2ccccc2)n1 ZINC000759565227 667812106 /nfs/dbraw/zinc/81/21/06/667812106.db2.gz DTYBSXKUQLXIAV-UHFFFAOYSA-N -1 3 369.399 0.736 10 0 FCAEHM C[C@@H](CC(=O)NCc1cnn(C)n1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000805211178 667865815 /nfs/dbraw/zinc/86/58/15/667865815.db2.gz CGFGCSICSHQZBX-VIFPVBQESA-N -1 3 372.838 0.237 10 0 FCAEHM CN(C)c1nc(C(=O)N2CCN(C3=NCC(C)(C)S3)CC2)cc(=O)[n-]1 ZINC000765341965 668004918 /nfs/dbraw/zinc/00/49/18/668004918.db2.gz AHVOIIYKHCVBGT-UHFFFAOYSA-N -1 3 364.475 0.887 10 0 FCAEHM CN(C)c1nc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc(=O)[n-]1 ZINC000765422984 668006385 /nfs/dbraw/zinc/00/63/85/668006385.db2.gz LFKFDHLYBCZRLJ-JTQLQIEISA-N -1 3 351.407 0.987 10 0 FCAEHM C[C@@H](CO[N-]C(=O)C[C@H]1CCS(=O)(=O)C1)NC(=O)OC(C)(C)C ZINC000767162693 668046269 /nfs/dbraw/zinc/04/62/69/668046269.db2.gz XYNLXXQHBJVVOK-WDEREUQCSA-N -1 3 350.437 0.772 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)OCc1cn(-c2ccccc2)nn1 ZINC000767379012 668051002 /nfs/dbraw/zinc/05/10/02/668051002.db2.gz PZHKQFRSYDXFCL-UHFFFAOYSA-N -1 3 368.415 0.266 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)OCc1nc(-c2ccoc2)no1 ZINC000767381166 668051117 /nfs/dbraw/zinc/05/11/17/668051117.db2.gz WXEARTUKUFTADF-UHFFFAOYSA-N -1 3 359.360 0.329 10 0 FCAEHM COC(=O)Nc1ccc(C(=O)OCCN2CCCS2(=O)=O)cc1[O-] ZINC000773166496 668078075 /nfs/dbraw/zinc/07/80/75/668078075.db2.gz OBGZIEWYEFLUHA-UHFFFAOYSA-N -1 3 358.372 0.763 10 0 FCAEHM COC[C@@](C)(CO)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000768455940 668082831 /nfs/dbraw/zinc/08/28/31/668082831.db2.gz YWKDIJXLUYTZPB-OAHLLOKOSA-N -1 3 362.423 0.640 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]C2CCN(CCS(C)(=O)=O)CC2)o1 ZINC000773298785 668084631 /nfs/dbraw/zinc/08/46/31/668084631.db2.gz RMKFWWPTDXLLCY-UHFFFAOYSA-N -1 3 350.462 0.375 10 0 FCAEHM CC(C)[C@H](O)CNC(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000771604050 668260947 /nfs/dbraw/zinc/26/09/47/668260947.db2.gz ZAHKBHFZONBVJT-WDEREUQCSA-N -1 3 363.867 0.925 10 0 FCAEHM CCOCCS(=O)(=O)[N-]C(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000777318501 668319539 /nfs/dbraw/zinc/31/95/39/668319539.db2.gz PIOREWMRKPSELS-UHFFFAOYSA-N -1 3 369.487 0.925 10 0 FCAEHM CS(=O)(=O)c1cccnc1C[N-]S(=O)(=O)c1cccc2nonc21 ZINC000785335208 668707216 /nfs/dbraw/zinc/70/72/16/668707216.db2.gz GBEMTKVIIGKZHV-UHFFFAOYSA-N -1 3 368.396 0.500 10 0 FCAEHM C[C@H]1CCN(CCCN2C(=O)CNC2=O)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805788588 668734350 /nfs/dbraw/zinc/73/43/50/668734350.db2.gz PFWZAGDEJFDOQT-NHCYSSNCSA-N -1 3 364.368 0.706 10 0 FCAEHM CN(C)c1noc(C[N-]S(=O)(=O)C2CN(C(=O)OC(C)(C)C)C2)n1 ZINC000786978674 668784079 /nfs/dbraw/zinc/78/40/79/668784079.db2.gz DUDMRYIUXFQZBL-UHFFFAOYSA-N -1 3 361.424 0.174 10 0 FCAEHM CCOCCOC[C@H](O)C[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000790947374 668884630 /nfs/dbraw/zinc/88/46/30/668884630.db2.gz YFBQVJQXSXSMAC-SNVBAGLBSA-N -1 3 355.844 0.074 10 0 FCAEHM CNC(=O)[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867034019 669165220 /nfs/dbraw/zinc/16/52/20/669165220.db2.gz PLAGMQQXMMTEOQ-JGVFFNPUSA-N -1 3 365.253 0.376 10 0 FCAEHM C[C@H]1CCN(C(=O)CN2CCN(C)CC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000807802173 669517134 /nfs/dbraw/zinc/51/71/34/669517134.db2.gz OMFVCCHARGMMEI-OBJOEFQTSA-N -1 3 364.412 0.538 10 0 FCAEHM CCN(OC)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC ZINC000828174858 669623528 /nfs/dbraw/zinc/62/35/28/669623528.db2.gz WNCBKYIMTXTHNQ-UHFFFAOYSA-N -1 3 365.795 0.210 10 0 FCAEHM O=C([N-]C[C@H]1CCCN(C(=O)NCCCn2ccnn2)C1)C(F)(F)F ZINC000811903359 669779326 /nfs/dbraw/zinc/77/93/26/669779326.db2.gz RHYIDIIWMASLIZ-LLVKDONJSA-N -1 3 362.356 0.768 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@@H]1CCCCN1CCO ZINC000831805431 669868746 /nfs/dbraw/zinc/86/87/46/669868746.db2.gz XJMNMTRBRCYBSH-NSHDSACASA-N -1 3 350.872 0.507 10 0 FCAEHM CCO[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867104898 669940144 /nfs/dbraw/zinc/94/01/44/669940144.db2.gz IHPJDGWWHPTDCO-RKDXNWHRSA-N -1 3 368.253 0.655 10 0 FCAEHM CNC(=O)[C@@H](CO)[N-]S(=O)(=O)Cc1cc(C)ccc1Br ZINC000867107604 669941250 /nfs/dbraw/zinc/94/12/50/669941250.db2.gz QBYRDXMBTYFKGC-LLVKDONJSA-N -1 3 365.249 0.284 10 0 FCAEHM O=c1[nH]cc(S(=O)(=O)[N-]CCn2cc(Br)cn2)s1 ZINC000867264487 670580395 /nfs/dbraw/zinc/58/03/95/670580395.db2.gz NCGNSEFRWGYZGC-UHFFFAOYSA-N -1 3 353.223 0.786 10 0 FCAEHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](CO)c2ccnn2C)c1 ZINC000841545470 670588430 /nfs/dbraw/zinc/58/84/30/670588430.db2.gz YHNXDMCNHFPMLB-LLVKDONJSA-N -1 3 357.363 0.358 10 0 FCAEHM CC[C@@H](C[N-]S(=O)(=O)c1cnn(C)c1I)OC ZINC000867283416 670626738 /nfs/dbraw/zinc/62/67/38/670626738.db2.gz IBKDHICZXNEOBY-ZETCQYMHSA-N -1 3 373.216 0.728 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]Cc1cc(Br)no1)[C@H]1CCOC1 ZINC000867322837 670781770 /nfs/dbraw/zinc/78/17/70/670781770.db2.gz FDDWRLXGZWSURY-WCBMZHEXSA-N -1 3 369.237 0.908 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CN(C)C(=O)[C@H]2C)ccc1F ZINC000843738856 670850527 /nfs/dbraw/zinc/85/05/27/670850527.db2.gz XABQWMBKLYTKRU-SNVBAGLBSA-N -1 3 357.407 0.773 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCC(C)(C)[C@@]2(O)CCOC2)ccc1F ZINC000844043369 670887062 /nfs/dbraw/zinc/88/70/62/670887062.db2.gz ATWANKAVINXTIM-MRXNPFEDSA-N -1 3 374.434 0.641 10 0 FCAEHM CCN(OC)C(=O)CNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000844071503 670893337 /nfs/dbraw/zinc/89/33/37/670893337.db2.gz OSAHDSGCRFZSHP-UHFFFAOYSA-N -1 3 369.852 0.206 10 0 FCAEHM C[C@H](CC(=O)N1CN(C)C(=O)[C@H]1C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000844103580 670895930 /nfs/dbraw/zinc/89/59/30/670895930.db2.gz QIGNQRFTLGZSEF-NXEZZACHSA-N -1 3 374.850 0.439 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CCF)C(=O)OC)cc(F)c1F ZINC000845975382 671059779 /nfs/dbraw/zinc/05/97/79/671059779.db2.gz IDMULTXHKJJNHT-JTQLQIEISA-N -1 3 369.317 0.931 10 0 FCAEHM NC(=O)[C@H]1C[C@@H](NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C1 ZINC000846439612 671110387 /nfs/dbraw/zinc/11/03/87/671110387.db2.gz VOSDBIDXMDVIFY-JGZJWPJOSA-N -1 3 355.391 0.260 10 0 FCAEHM CO[C@@](C)(CO)CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000848265178 671264179 /nfs/dbraw/zinc/26/41/79/671264179.db2.gz IKDYMNFDWNTKQZ-OAHLLOKOSA-N -1 3 360.407 0.394 10 0 FCAEHM Cn1c(=O)c2ccc(C(=O)N3CCN4C[C@H](O)C[C@H]4C3)cc2[n-]c1=S ZINC000848308134 671267351 /nfs/dbraw/zinc/26/73/51/671267351.db2.gz YWPQYNALAFIEEI-NWDGAFQWSA-N -1 3 360.439 0.113 10 0 FCAEHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@@H]2CCNC(=O)CC2)c1 ZINC000848459314 671278038 /nfs/dbraw/zinc/27/80/38/671278038.db2.gz GEYHNGXPQJZKCH-NSHDSACASA-N -1 3 358.391 0.868 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)OCC(=O)NC1CCCCC1 ZINC000007631400 671414203 /nfs/dbraw/zinc/41/42/03/671414203.db2.gz YIXZPZHDOKKJOY-UHFFFAOYSA-N -1 3 373.431 0.562 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)nc1Cl ZINC000851824821 671471492 /nfs/dbraw/zinc/47/14/92/671471492.db2.gz MUMVKTFQTVQSFN-VXGBXAGGSA-N -1 3 374.894 0.995 10 0 FCAEHM COc1ccc(CC(=O)[N-]OC[C@@H]2CCN(S(C)(=O)=O)C2)cc1OC ZINC000853669297 671553548 /nfs/dbraw/zinc/55/35/48/671553548.db2.gz MAWRLIRETRIWTE-CYBMUJFWSA-N -1 3 372.443 0.576 10 0 FCAEHM COC(OC)[C@@H](C)NC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC000854465720 671579746 /nfs/dbraw/zinc/57/97/46/671579746.db2.gz YSMLOCXBZDIZDW-SECBINFHSA-N -1 3 351.334 0.611 10 0 FCAEHM COC(OC)[C@@H](C)NC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000854465720 671579749 /nfs/dbraw/zinc/57/97/49/671579749.db2.gz YSMLOCXBZDIZDW-SECBINFHSA-N -1 3 351.334 0.611 10 0 FCAEHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC(O)(CO)C2)ccc1F ZINC000854672588 671593703 /nfs/dbraw/zinc/59/37/03/671593703.db2.gz KLMNPLWGUNCRKH-UHFFFAOYSA-N -1 3 360.407 0.082 10 0 FCAEHM O=C(N[C@@H]1CCNC(=O)CC1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000854960583 671619615 /nfs/dbraw/zinc/61/96/15/671619615.db2.gz KIWKWMPKBLUMBI-NSHDSACASA-N -1 3 369.418 0.665 10 0 FCAEHM O=C(NCCS(=O)(=O)CC(F)(F)F)c1cc(F)cc2n[n-]nc21 ZINC000855577472 671653148 /nfs/dbraw/zinc/65/31/48/671653148.db2.gz KERARPIUWXLMST-UHFFFAOYSA-N -1 3 354.285 0.804 10 0 FCAEHM C[C@H](CC(=O)NC[C@@H]1CCC(=O)N1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000855934042 671670706 /nfs/dbraw/zinc/67/07/06/671670706.db2.gz WPBIAAHLXDAADC-ZJUUUORDSA-N -1 3 374.850 0.187 10 0 FCAEHM COC(=O)C1CC2(C1)CN(CC(=O)N1CCCC[C@H]1C)C[C@@H]2C(=O)[O-] ZINC000903411613 675929096 /nfs/dbraw/zinc/92/90/96/675929096.db2.gz PTCHRFLKSPFPGQ-CZJPOVKDSA-N -1 3 352.431 0.973 10 0 FCAEHM COC(=O)C1CC2(C1)CN(CC(=O)N1CCC[C@H](C)C1)C[C@@H]2C(=O)[O-] ZINC000903413954 675929268 /nfs/dbraw/zinc/92/92/68/675929268.db2.gz CGTPGOGETXQRSV-DWBBHFSCSA-N -1 3 352.431 0.831 10 0 FCAEHM COc1nnc([N-]C(=O)c2cn(CCNC(=O)OC(C)(C)C)nn2)s1 ZINC000857609298 671731807 /nfs/dbraw/zinc/73/18/07/671731807.db2.gz VNHKFPFZXSKXEE-UHFFFAOYSA-N -1 3 369.407 0.915 10 0 FCAEHM CN1CC[C@@](O)(C[N-]S(=O)(=O)c2ccc(Br)nc2F)C1 ZINC000859107454 671793836 /nfs/dbraw/zinc/79/38/36/671793836.db2.gz BBMBIFBETJKWTC-LLVKDONJSA-N -1 3 368.228 0.328 10 0 FCAEHM CCn1ncc(C[N-]S(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)n1 ZINC000859251572 671804273 /nfs/dbraw/zinc/80/42/73/671804273.db2.gz FGZVDUXTENOCKH-UHFFFAOYSA-N -1 3 362.408 0.319 10 0 FCAEHM CCON(CC)C(=O)C[N-]S(=O)(=O)c1cc(C(=O)OC)cs1 ZINC000859274559 671807447 /nfs/dbraw/zinc/80/74/47/671807447.db2.gz QSMKOFJKZPDNLP-UHFFFAOYSA-N -1 3 350.418 0.613 10 0 FCAEHM O=S(=O)([N-]C[C@H]1CN(Cc2ccncc2)CCO1)c1c[nH]nc1Cl ZINC000859391372 671822318 /nfs/dbraw/zinc/82/23/18/671822318.db2.gz JEAPFXLGABCBRX-LBPRGKRZSA-N -1 3 371.850 0.637 10 0 FCAEHM Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3N(C(=O)C(F)(F)F)C2)nc1=O ZINC000860049815 671865795 /nfs/dbraw/zinc/86/57/95/671865795.db2.gz IUIPHIZEZBMYBZ-NAKRPEOUSA-N -1 3 359.352 0.340 10 0 FCAEHM C[C@@H](CC(=O)N[C@H]1C[C@H](C(N)=O)C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000862819742 672079686 /nfs/dbraw/zinc/07/96/86/672079686.db2.gz YJQCVLPIWQHCQS-GUBZILKMSA-N -1 3 374.850 0.172 10 0 FCAEHM CC[S@](C)(=O)=NS(=O)(=O)[N-]C1CCN(Cc2ccncc2)CC1 ZINC000866539165 672280907 /nfs/dbraw/zinc/28/09/07/672280907.db2.gz HRPFEWWHSXLZJZ-QFIPXVFZSA-N -1 3 360.505 0.998 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-]C[C@@H]2CN3CCC[C@H]3CO2)c1C(F)(F)F ZINC000866674859 672286393 /nfs/dbraw/zinc/28/63/93/672286393.db2.gz FLTRVUCLFXOTPL-VHSXEESVSA-N -1 3 368.381 0.580 10 0 FCAEHM C[C@H](CN1CCN(C)CC1)[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000866747594 672297066 /nfs/dbraw/zinc/29/70/66/672297066.db2.gz RNDFDHSAWATERT-SNVBAGLBSA-N -1 3 369.413 0.353 10 0 FCAEHM CC[C@H](C[N-]S(=O)(=O)c1cnn(C)c1Br)C(=O)OC ZINC000867448536 672317198 /nfs/dbraw/zinc/31/71/98/672317198.db2.gz GQUWXUHOTXDGNE-SSDOTTSWSA-N -1 3 354.226 0.660 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-][C@H](C)C(=O)OCc2ccccc2)CC1 ZINC000867482676 672323216 /nfs/dbraw/zinc/32/32/16/672323216.db2.gz BDGVDSIESXNGBB-GFCCVEGCSA-N -1 3 355.412 0.991 10 0 FCAEHM O=C1C[C@H](S(=O)(=O)[N-]C[C@]23OCCC[C@H]2C3(F)F)CN1C1CC1 ZINC000867514500 672329635 /nfs/dbraw/zinc/32/96/35/672329635.db2.gz AWIRBBWZBYYWFN-LOWVWBTDSA-N -1 3 350.387 0.483 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@H]2C[C@H](O)C23CCC3)c(Br)n1 ZINC000867519011 672330104 /nfs/dbraw/zinc/33/01/04/672330104.db2.gz MDNKDRUEKCMGFD-IUCAKERBSA-N -1 3 350.238 0.764 10 0 FCAEHM Cc1cncc(CC[N-]S(=O)(=O)c2cn(C)nc2Br)n1 ZINC000867522248 672330700 /nfs/dbraw/zinc/33/07/00/672330700.db2.gz JKIRXAOKKKMQKZ-UHFFFAOYSA-N -1 3 360.237 0.802 10 0 FCAEHM COC(=O)[C@@H](CCC1OCCO1)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000867763422 672364877 /nfs/dbraw/zinc/36/48/77/672364877.db2.gz YJGKQVWVSNCCCR-CYBMUJFWSA-N -1 3 361.391 0.940 10 0 FCAEHM COC(=O)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000867774950 672366329 /nfs/dbraw/zinc/36/63/29/672366329.db2.gz QPTRVVRGXHRJTA-GMSGAONNSA-N -1 3 352.771 0.731 10 0 FCAEHM COCCN(C)CCNC(=O)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000929895134 673984218 /nfs/dbraw/zinc/98/42/18/673984218.db2.gz OLWZMZMZMAQEEM-UHFFFAOYSA-N -1 3 359.373 0.024 10 0 FCAEHM O=S(=O)([N-]CC[C@H]1CNCCS1(=O)=O)c1ccc(Cl)s1 ZINC000721796260 675444607 /nfs/dbraw/zinc/44/46/07/675444607.db2.gz KYTQLKZYKBNJDL-QMMMGPOBSA-N -1 3 358.894 0.457 10 0 FCAEHM O=C([C@@H]1CC=CC[C@@H]1C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1)N1CCOCC1 ZINC000898220712 1192862979 /nfs/dbraw/zinc/86/29/79/1192862979.db2.gz FKXUPVJWYORLHU-ZNMIVQPWSA-N -1 3 374.441 0.872 10 0 FCAEHM Cc1n[nH]c(C(=O)NC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)c1[O-] ZINC001719706627 1179597521 /nfs/dbraw/zinc/59/75/21/1179597521.db2.gz WWQOMXDWCAUKJY-DGCLKSJQSA-N -1 3 351.451 0.588 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NCC[C@@H]1CN(C(=O)c2ncccn2)C[C@H]1C ZINC001719769170 1179942266 /nfs/dbraw/zinc/94/22/66/1179942266.db2.gz ZECUZPHGJBKDEV-DGCLKSJQSA-N -1 3 370.413 0.809 10 0 FCAEHM CN(C)c1nc(C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)cc(=O)[n-]1 ZINC000549644823 1186586519 /nfs/dbraw/zinc/58/65/19/1186586519.db2.gz WSLMYYRJIVSKDN-LBPRGKRZSA-N -1 3 356.386 0.569 10 0 FCAEHM C[C@@H]1CN(CCNC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)[C@H](C)CO1 ZINC001687391238 1188352748 /nfs/dbraw/zinc/35/27/48/1188352748.db2.gz WDSCAEWZUBMXGU-VXGBXAGGSA-N -1 3 365.434 0.163 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1ccon1)C2 ZINC001719914334 1191127501 /nfs/dbraw/zinc/12/75/01/1191127501.db2.gz KTFUYZSLYNVUSA-MCIONIFRSA-N -1 3 371.397 0.973 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)CN3CCN(C4CC4)C3=O)CC2)n1 ZINC000899495245 1194162616 /nfs/dbraw/zinc/16/26/16/1194162616.db2.gz RCTXNZFKCAAHLY-UHFFFAOYSA-N -1 3 360.418 0.039 10 0 FCAEHM COc1cc(N2CCN(C(=O)c3cc4c(cc3[O-])OCO4)CC2)ncn1 ZINC000436629431 1195538244 /nfs/dbraw/zinc/53/82/44/1195538244.db2.gz JIVNFLYRBKNFSI-UHFFFAOYSA-N -1 3 358.354 0.882 10 0 FCAEHM O=C(c1cc2c(cc1[O-])OCO2)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000436690607 1195554556 /nfs/dbraw/zinc/55/45/56/1195554556.db2.gz HRJDQXPXPMBKEU-GFCCVEGCSA-N -1 3 362.382 0.832 10 0 FCAEHM Cn1c(C(=O)NCCCc2c[n-][nH]c2=O)cc2c1nc1ccccn1c2=O ZINC001168404821 1196725028 /nfs/dbraw/zinc/72/50/28/1196725028.db2.gz OQHNONMDAXTQBF-NSHDSACASA-N -1 3 366.381 0.428 10 0 FCAEHM CCOC(=O)c1cnn2c1nccc2C(=O)NCCCc1c[n-][nH]c1=O ZINC001168405472 1196735151 /nfs/dbraw/zinc/73/51/51/1196735151.db2.gz RXRQQGYCCGYRMZ-JTQLQIEISA-N -1 3 358.358 0.148 10 0 FCAEHM CCOC(=O)c1cnn2c1nccc2C(=O)NCCCc1c[n-][nH]c1=O ZINC001168405473 1196735914 /nfs/dbraw/zinc/73/59/14/1196735914.db2.gz RXRQQGYCCGYRMZ-SNVBAGLBSA-N -1 3 358.358 0.148 10 0 FCAEHM O=C(c1cccn1CCN1CCOCC1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000828184612 1197932724 /nfs/dbraw/zinc/93/27/24/1197932724.db2.gz GJQDSAMTNIRQDK-AWEZNQCLSA-N -1 3 359.430 0.879 10 0 FCAEHM COc1cccc2c(C(=O)O[C@@H](C)C(=O)N(C)CC(=O)NC3CC3)n[n-]c21 ZINC000808673759 1202894013 /nfs/dbraw/zinc/89/40/13/1202894013.db2.gz TXDHLGCBRGZRCC-JTQLQIEISA-N -1 3 374.397 0.854 10 0 FCAEHM COc1cccc2c1n[n-]c2C(=O)O[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000808673759 1202894014 /nfs/dbraw/zinc/89/40/14/1202894014.db2.gz TXDHLGCBRGZRCC-JTQLQIEISA-N -1 3 374.397 0.854 10 0 FCAEHM CN1CC2(CN(C(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])C2)OC1=O ZINC000817653195 1203111200 /nfs/dbraw/zinc/11/12/00/1203111200.db2.gz QUODUTQPEUKVNK-ZDUSSCGKSA-N -1 3 359.382 0.660 10 0 FCAEHM O=C(Cn1c(=O)[n-][nH]c1=O)NCCCN1CCN(c2ccccc2)CC1 ZINC001136195471 1203151524 /nfs/dbraw/zinc/15/15/24/1203151524.db2.gz WJVFQYQDSLEPRO-UHFFFAOYSA-N -1 3 360.418 0.018 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)Cn1nc(-c2ccccc2)ccc1=O ZINC001144225641 1204438420 /nfs/dbraw/zinc/43/84/20/1204438420.db2.gz CCASPONWWRCPQB-CQSZACIVSA-N -1 3 353.382 0.539 10 0 FCAEHM Cc1cc(=O)[n-]c(CNC(=O)[C@@H](O)[C@](O)(c2ccccc2)C(F)(F)F)n1 ZINC001144555275 1204549632 /nfs/dbraw/zinc/54/96/32/1204549632.db2.gz BOXJWHBBSSQWQA-UKRRQHHQSA-N -1 3 371.315 0.918 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)Cc2ccccc2N2CCCC2=O)n[n-]1 ZINC001147682819 1204803980 /nfs/dbraw/zinc/80/39/80/1204803980.db2.gz DIOLGYPUCCIFLH-UHFFFAOYSA-N -1 3 357.370 0.828 10 0 FCAEHM COC(=O)[C@@H]1CN(Cc2cc(=O)oc3cc([O-])ccc23)C[C@H]1C(=O)OC ZINC001176903412 1206325870 /nfs/dbraw/zinc/32/58/70/1206325870.db2.gz ZKNRPUJXYVZGRL-ZIAGYGMSSA-N -1 3 361.350 0.893 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCC[C@H](NC(=O)[C@H]3CCCn4ncnc43)C2)n1 ZINC001177879784 1206350767 /nfs/dbraw/zinc/35/07/67/1206350767.db2.gz PDYUKLWARGPIFW-STQMWFEESA-N -1 3 357.418 0.745 10 0 FCAEHM COC(=O)[C@@H]1CO[C@H](CCC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)C1 ZINC001180028897 1206387791 /nfs/dbraw/zinc/38/77/91/1206387791.db2.gz VXSXQOJLSUKBNC-YNEHKIRRSA-N -1 3 364.402 0.235 10 0 FCAEHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCN(c3cc(=O)[nH]cn3)C2)c1 ZINC001180027021 1206387960 /nfs/dbraw/zinc/38/79/60/1206387960.db2.gz AIJORISLHJFTEZ-GFCCVEGCSA-N -1 3 357.370 0.855 10 0 FCAEHM NC(=O)[C@@]1(c2ccccc2)CCN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC001183694428 1206458336 /nfs/dbraw/zinc/45/83/36/1206458336.db2.gz PNFWKQLONONHIN-FQEVSTJZSA-N -1 3 363.373 0.839 10 0 FCAEHM CCn1c(C)cc2n[n-]c(NC(=O)CN(C)CC(=O)NC(C)C)c2c1=O ZINC001183781537 1206460709 /nfs/dbraw/zinc/46/07/09/1206460709.db2.gz UKWBEYWYVQAGKI-UHFFFAOYSA-N -1 3 362.434 0.448 10 0 FCAEHM O=C(N[C@H](CO)CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)c1cccc2n[n-]nc21 ZINC001488007073 1208413252 /nfs/dbraw/zinc/41/32/52/1208413252.db2.gz DGGNOAJFHWATDZ-UKTARXLSSA-N -1 3 369.425 0.767 10 0 FCAEHM O=C(NC[C@@H](CO)NC(=O)[C@@H]1C[C@H]1C1CCC1)c1cccc2n[n-]nc21 ZINC001488004804 1208419125 /nfs/dbraw/zinc/41/91/25/1208419125.db2.gz HZUCGPYITZLTMB-FPMFFAJLSA-N -1 3 357.414 0.601 10 0 FCAEHM CN(C[C@H](O)CNC(=O)[C@@H]1C[C@H]1C(C)(C)C)C(=O)c1cnc[n-]c1=O ZINC001488372821 1208501723 /nfs/dbraw/zinc/50/17/23/1208501723.db2.gz OSAGTGIPQAJTKU-NQBHXWOUSA-N -1 3 350.419 0.414 10 0 FCAEHM CN(C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1C(C)(C)C)C(=O)c1cnc[n-]c1=O ZINC001488372820 1208502448 /nfs/dbraw/zinc/50/24/48/1208502448.db2.gz OSAGTGIPQAJTKU-DMDPSCGWSA-N -1 3 350.419 0.414 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NCCN(CCOC)C(=O)c1c(C)nc[n-]c1=O ZINC001488545571 1208535851 /nfs/dbraw/zinc/53/58/51/1208535851.db2.gz YEGXVINSWCERQN-CHWSQXEVSA-N -1 3 350.419 0.742 10 0 FCAEHM CNC(=O)[C@H](C)NCc1cc(=O)[n-]c(CNC(=O)C[C@@H]2C[C@H]2C2CC2)n1 ZINC001489078594 1208620389 /nfs/dbraw/zinc/62/03/89/1208620389.db2.gz IQUVEECDZISVIX-JKOKRWQUSA-N -1 3 361.446 0.459 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@H]1CC[C@@H](NC(=O)[C@H](O)C(C)C)C1 ZINC001489899454 1209141767 /nfs/dbraw/zinc/14/17/67/1209141767.db2.gz SZMXDISMSHOADD-OUCADQQQSA-N -1 3 350.419 0.522 10 0 FCAEHM CSCC(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@]23C[C@H]2CCC3)n1 ZINC001489968292 1209185181 /nfs/dbraw/zinc/18/51/81/1209185181.db2.gz FOYMFAUDGZPQHP-QLJPJBMISA-N -1 3 350.444 0.968 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NCc1nc(CNC(=O)[C@@]2(C)CCOC2)cc(=O)[n-]1 ZINC001489970918 1209185791 /nfs/dbraw/zinc/18/57/91/1209185791.db2.gz YVUOCCIIQKYOED-BVRBVLIYSA-N -1 3 362.430 0.887 10 0 FCAEHM CCOCC(=O)N1C[C@@H](CNC(=O)c2cc(=O)[n-]c(C3CC3)n2)[C@H](C)C1 ZINC001490319959 1209314770 /nfs/dbraw/zinc/31/47/70/1209314770.db2.gz FAFJTRCVYPJDQN-DGCLKSJQSA-N -1 3 362.430 0.920 10 0 FCAEHM CC(=O)N[C@@](C)(C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn[n-]n1)C2)C(C)C ZINC001490651811 1209403911 /nfs/dbraw/zinc/40/39/11/1209403911.db2.gz PBGVDTXLDVFFSW-CXUUEIJPSA-N -1 3 362.434 0.217 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])N1CC[C@@H](O)C(F)(F)C1 ZINC000855443074 1209669145 /nfs/dbraw/zinc/66/91/45/1209669145.db2.gz NJFQFKSTUQUJEF-GFCCVEGCSA-N -1 3 369.299 0.716 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c([O-])cc1=O)N1CC[C@@H](O)C(F)(F)C1 ZINC000855443074 1209669147 /nfs/dbraw/zinc/66/91/47/1209669147.db2.gz NJFQFKSTUQUJEF-GFCCVEGCSA-N -1 3 369.299 0.716 10 0 FCAEHM C[C@@]12COC[C@@H]1CN(C(=O)c1nn(-c3ccc(F)cc3)c(=O)cc1[O-])C2 ZINC000855835547 1209682387 /nfs/dbraw/zinc/68/23/87/1209682387.db2.gz LTLJZSLIUNWMNS-BBATYDOGSA-N -1 3 359.357 0.982 10 0 FCAEHM C[C@@]12COC[C@@H]1CN(C(=O)c1nn(-c3ccc(F)cc3)c([O-])cc1=O)C2 ZINC000855835547 1209682390 /nfs/dbraw/zinc/68/23/90/1209682390.db2.gz LTLJZSLIUNWMNS-BBATYDOGSA-N -1 3 359.357 0.982 10 0 FCAEHM COC(=O)/C(C)=C/CNC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000925029894 1211488879 /nfs/dbraw/zinc/48/88/79/1211488879.db2.gz SUGBXIBKLZORPP-NTUHNPAUSA-N -1 3 361.398 0.979 10 0 FCAEHM C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCc1c(F)cc([O-])cc1F ZINC000927783194 1211581296 /nfs/dbraw/zinc/58/12/96/1211581296.db2.gz CKJRJIOBCHKCQV-LLVKDONJSA-N -1 3 370.400 0.974 10 0 FCAEHM Cn1cc(C2=NC[C@H](CN3CCN(C(=O)c4ccccc4[O-])CC3)O2)cn1 ZINC000929991909 1211678624 /nfs/dbraw/zinc/67/86/24/1211678624.db2.gz KXJAWOWPAFLBOH-OAHLLOKOSA-N -1 3 369.425 0.729 10 0 FCAEHM Cn1cc(C2=NC[C@@H](CN3CCN(C(=O)c4ccccc4[O-])CC3)O2)cn1 ZINC000929991908 1211678932 /nfs/dbraw/zinc/67/89/32/1211678932.db2.gz KXJAWOWPAFLBOH-HNNXBMFYSA-N -1 3 369.425 0.729 10 0 FCAEHM CC(=O)NCC(=O)N1CCCN(C[C@@H](C)C(=O)c2ccc([O-])cc2)CC1 ZINC000931254466 1211747634 /nfs/dbraw/zinc/74/76/34/1211747634.db2.gz CENJVMUJMCMNIP-CQSZACIVSA-N -1 3 361.442 0.881 10 0 FCAEHM COc1nnc(NC(=O)C(=Cc2cccc(OC)c2)n2nnnc2C)[n-]1 ZINC000778955534 1211942641 /nfs/dbraw/zinc/94/26/41/1211942641.db2.gz KOPVBDYTBAFCNI-WQLSENKSSA-N -1 3 356.346 0.754 10 0 FCAEHM COc1nc(NC(=O)C(=Cc2cccc(OC)c2)n2nnnc2C)n[n-]1 ZINC000778955534 1211942647 /nfs/dbraw/zinc/94/26/47/1211942647.db2.gz KOPVBDYTBAFCNI-WQLSENKSSA-N -1 3 356.346 0.754 10 0 FCAEHM COc1n[n-]c(NC(=O)C(=Cc2cccc(OC)c2)n2nnnc2C)n1 ZINC000778955534 1211942650 /nfs/dbraw/zinc/94/26/50/1211942650.db2.gz KOPVBDYTBAFCNI-WQLSENKSSA-N -1 3 356.346 0.754 10 0 FCAEHM Cc1cnc2c(cnn2CC(=O)NCCNC(=O)c2ccc([O-])cc2)c1 ZINC001137463739 1216641636 /nfs/dbraw/zinc/64/16/36/1216641636.db2.gz XVJNSSVNAQNCFM-UHFFFAOYSA-N -1 3 353.382 0.992 10 0 FCAEHM COC[C@@H](NC(=O)C(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccccc1 ZINC001117147744 1221481358 /nfs/dbraw/zinc/48/13/58/1221481358.db2.gz QBEBLIKADVPSRQ-SNVBAGLBSA-N -1 3 371.319 0.944 10 0 FCAEHM Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)cn1 ZINC001118384310 1221771685 /nfs/dbraw/zinc/77/16/85/1221771685.db2.gz OCJFDQHBNCHGMO-QEJZJMRPSA-N -1 3 373.461 0.685 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])N1CC[C@@](O)(C(F)F)C1 ZINC000836822640 1222628899 /nfs/dbraw/zinc/62/88/99/1222628899.db2.gz KXVRQMSTZHRFRR-INIZCTEOSA-N -1 3 369.299 0.716 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c([O-])cc1=O)N1CC[C@@](O)(C(F)F)C1 ZINC000836822640 1222628903 /nfs/dbraw/zinc/62/89/03/1222628903.db2.gz KXVRQMSTZHRFRR-INIZCTEOSA-N -1 3 369.299 0.716 10 0 FCAEHM COc1ccccc1[C@H]1CNCCN1C(=O)CCn1cc[n-]c(=O)c1=O ZINC000843475069 1222877812 /nfs/dbraw/zinc/87/78/12/1222877812.db2.gz XKACGENKNJECMC-CQSZACIVSA-N -1 3 358.398 0.108 10 0 FCAEHM CC(C)c1n[nH]c(CC2CCN(C(=O)CCn3cc[n-]c(=O)c3=O)CC2)n1 ZINC001164363477 1223237823 /nfs/dbraw/zinc/23/78/23/1223237823.db2.gz XEVUBGOERAQRRE-UHFFFAOYSA-N -1 3 374.445 0.650 10 0 FCAEHM CC(C)c1nc(CC2CCN(C(=O)CCn3cc[n-]c(=O)c3=O)CC2)n[nH]1 ZINC001164363477 1223237825 /nfs/dbraw/zinc/23/78/25/1223237825.db2.gz XEVUBGOERAQRRE-UHFFFAOYSA-N -1 3 374.445 0.650 10 0 FCAEHM O=C(N[C@@H](CNCc1cc(=O)n2[n-]ccc2n1)C1CC1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001276664824 1223641201 /nfs/dbraw/zinc/64/12/01/1223641201.db2.gz HNWDUWKWTBORKD-WCVJEAGWSA-N -1 3 371.441 0.575 10 0 FCAEHM CCO[C@@H](C)C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)c1cnc[n-]c1=O ZINC001515315555 1265500750 /nfs/dbraw/zinc/50/07/50/1265500750.db2.gz LRLREGXZUDJMBE-AGIUHOORSA-N -1 3 350.419 0.964 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)NCc1nc(CNC(=O)[C@H](C)OC)cc(=O)[n-]1 ZINC001519541444 1265728786 /nfs/dbraw/zinc/72/87/86/1265728786.db2.gz LWDLPSVXRCZSFS-RWSFTLGLSA-N -1 3 366.418 0.265 10 0 FCAEHM CCC(C)(C)C(=O)NCc1nc(CNC(=O)[C@]23C[C@H]2COC3)cc(=O)[n-]1 ZINC001519549905 1265730076 /nfs/dbraw/zinc/73/00/76/1265730076.db2.gz SWGFMPUXUCXGIM-VOJFVSQTSA-N -1 3 362.430 0.887 10 0 FCAEHM CC(C)[C@@H](F)C(=O)NCc1nc(CNC(=O)[C@]23C[C@H]2COC3)cc(=O)[n-]1 ZINC001519549403 1265730804 /nfs/dbraw/zinc/73/08/04/1265730804.db2.gz PYQKKJHESYPEAV-IXBGWNDUSA-N -1 3 366.393 0.445 10 0 FCAEHM C[C@H]1CN(C)C(=O)CN1c1nnc(-c2nnc(Cl)[n-]2)n1CC1CC1 ZINC001519586433 1265736124 /nfs/dbraw/zinc/73/61/24/1265736124.db2.gz GBPGMXAASYCBLJ-QMMMGPOBSA-N -1 3 350.814 0.794 10 0 FCAEHM C[C@H]1CN(C)C(=O)CN1c1nnc(-c2n[n-]c(Cl)n2)n1CC1CC1 ZINC001519586433 1265736128 /nfs/dbraw/zinc/73/61/28/1265736128.db2.gz GBPGMXAASYCBLJ-QMMMGPOBSA-N -1 3 350.814 0.794 10 0 FCAEHM O=C(NCCCc1cc(=O)[nH][n-]1)c1cn(CCO)nc1C1CCOCC1 ZINC001329443629 1265758120 /nfs/dbraw/zinc/75/81/20/1265758120.db2.gz YGTXXQJTFOYHTO-UHFFFAOYSA-N -1 3 363.418 0.155 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)COCCCOC)CCN1C(=O)c1cnc[n-]c1=O ZINC001520040189 1265832971 /nfs/dbraw/zinc/83/29/71/1265832971.db2.gz VJOPVWWMJKFSGP-UONOGXRCSA-N -1 3 366.418 0.345 10 0 FCAEHM O=C(CC1(N2CCOCC2)CCCC1)NC[C@H](C(=O)[O-])[C@@H]1CCOC1 ZINC001520198934 1265876140 /nfs/dbraw/zinc/87/61/40/1265876140.db2.gz FYRUOUOZWZYZPR-CABCVRRESA-N -1 3 354.447 0.875 10 0 FCAEHM C[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1CCNC(=O)c1ccccc1[O-] ZINC001521974104 1266267897 /nfs/dbraw/zinc/26/78/97/1266267897.db2.gz XFWOANIKKKYYNZ-ZIAGYGMSSA-N -1 3 357.414 0.898 10 0 FCAEHM O=C([O-])CN(CC(F)(F)F)C(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC001335324385 1259605704 /nfs/dbraw/zinc/60/57/04/1259605704.db2.gz MIIGIQOCFFFMOZ-NSHDSACASA-N -1 3 353.341 0.898 10 0 FCAEHM CC(=O)NC[C@@H]1CCCN(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)C1 ZINC001251450777 1259748598 /nfs/dbraw/zinc/74/85/98/1259748598.db2.gz GMIAPAYUAJPXJP-UONOGXRCSA-N -1 3 362.434 0.319 10 0 FCAEHM CC1(C)[C@H]2[C@H](CCCN2C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)[C@@H]1O ZINC001251451060 1259748809 /nfs/dbraw/zinc/74/88/09/1259748809.db2.gz NZAWWDJJCBDAOR-RKLWJJNISA-N -1 3 361.446 0.952 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1CCNC(=O)[C@@H]1CCNC1=O ZINC001522013284 1266299364 /nfs/dbraw/zinc/29/93/64/1266299364.db2.gz DVYJTJXDIRKFBS-NFAWXSAZSA-N -1 3 359.426 0.743 10 0 FCAEHM COC(=O)C1CC2(C1)CN(C(=O)N[C@@H]1CCN(C3CC3)C1)C[C@@H]2C(=O)[O-] ZINC001331906013 1266304136 /nfs/dbraw/zinc/30/41/36/1266304136.db2.gz HDYJLYIKCPBOOM-JDVHTEQKSA-N -1 3 365.430 0.519 10 0 FCAEHM CCC(CC)NC(=O)CN1CC[C@H](NC(=O)c2c(C)nc[n-]c2=O)[C@H]1C ZINC001264715198 1260401065 /nfs/dbraw/zinc/40/10/65/1260401065.db2.gz PCVDLXGENKHTJW-OCCSQVGLSA-N -1 3 363.462 0.988 10 0 FCAEHM COC(=O)[C@@]1(N2CCN(C(=O)c3c([O-])cccc3OC)CC2)CCOC1 ZINC001332213528 1266358092 /nfs/dbraw/zinc/35/80/92/1266358092.db2.gz VSAWJEUMUFSQNK-GOSISDBHSA-N -1 3 364.398 0.491 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@H](CO)CNC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001281121508 1261095458 /nfs/dbraw/zinc/09/54/58/1261095458.db2.gz YBKYPSIYKHQNQV-QJPTWQEYSA-N -1 3 360.370 0.094 10 0 FCAEHM C[C@@H](CNC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1)N1CCC(C)CC1 ZINC001332390384 1266393157 /nfs/dbraw/zinc/39/31/57/1266393157.db2.gz GBXGSJMOOUVVMC-AWEZNQCLSA-N -1 3 369.462 0.221 10 0 FCAEHM COCCCOCCC(=O)N1CC[C@H](NC(=O)c2cnc[n-]c2=O)[C@H]1C ZINC001282359733 1261426537 /nfs/dbraw/zinc/42/65/37/1261426537.db2.gz YVVCYNVNUFOCIN-OCCSQVGLSA-N -1 3 366.418 0.345 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC3(CCNC(=O)O3)CC2)c(C)o1 ZINC001472170876 1261447303 /nfs/dbraw/zinc/44/73/03/1261447303.db2.gz FANPSHJROKFWEL-UHFFFAOYSA-N -1 3 371.415 0.601 10 0 FCAEHM O=C(CCOCC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O ZINC001282728507 1261600565 /nfs/dbraw/zinc/60/05/65/1261600565.db2.gz JDJBMCRWCLDZSO-YUELXQCFSA-N -1 3 360.414 0.861 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@@H](C)NC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001284310169 1261747268 /nfs/dbraw/zinc/74/72/68/1261747268.db2.gz NDVXSUDEOWWMNS-DDTOSNHZSA-N -1 3 362.430 0.788 10 0 FCAEHM O=C(NC[C@]1(O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1)c1ccccc1[O-] ZINC001286178936 1261922541 /nfs/dbraw/zinc/92/25/41/1261922541.db2.gz KVWCGCRMVUBBES-PJIJBLCYSA-N -1 3 370.409 0.612 10 0 FCAEHM O=C(N[C@H](CO)CNC(=O)[C@@H]1C[C@H]1C1CC1)c1cc(=O)[n-]c(C2CC2)n1 ZINC001287786712 1261976334 /nfs/dbraw/zinc/97/63/34/1261976334.db2.gz MZLOMQGIHHQOJC-RWMBFGLXSA-N -1 3 360.414 0.313 10 0 FCAEHM O=C(NCC1CC1)C(=O)N1C[C@@H]2CCN(C(=O)c3ccccc3[O-])[C@@H]2C1 ZINC001288914333 1262039835 /nfs/dbraw/zinc/03/98/35/1262039835.db2.gz JHIKLGAZLJIRKC-DZGCQCFKSA-N -1 3 357.410 0.591 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H]2CCN(C(=O)COC(C)(C)C)[C@@H]2C1 ZINC001288934463 1262043906 /nfs/dbraw/zinc/04/39/06/1262043906.db2.gz QKOSMJNFPUMBSI-QWHCGFSZSA-N -1 3 362.430 0.979 10 0 FCAEHM CCCCCC(=O)N[C@@H]1CN(C(=O)Cc2c(C)nc(C)[n-]c2=O)C[C@H]1O ZINC001289013045 1262068640 /nfs/dbraw/zinc/06/86/40/1262068640.db2.gz IRLFUBYDZQRFSC-HUUCEWRRSA-N -1 3 364.446 0.610 10 0 FCAEHM CC/C(C)=C/C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC001289142132 1262125509 /nfs/dbraw/zinc/12/55/09/1262125509.db2.gz JJZLZBVBMBDLRU-ILJFBXALSA-N -1 3 371.393 0.228 10 0 FCAEHM CO[C@H](CC(C)C)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1OC ZINC001289541826 1262243918 /nfs/dbraw/zinc/24/39/18/1262243918.db2.gz FLKSEELPURMTBR-MGPQQGTHSA-N -1 3 366.418 0.199 10 0 FCAEHM CC[C@H](C)CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001290234627 1262407318 /nfs/dbraw/zinc/40/73/18/1262407318.db2.gz KRISCRFWPYFTOE-CORIIIEPSA-N -1 3 359.434 0.699 10 0 FCAEHM CC[C@@H](C)C(=O)NCc1nc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc(=O)[n-]1 ZINC001290364381 1262433200 /nfs/dbraw/zinc/43/32/00/1262433200.db2.gz NBCMTKXWMXNWJE-IEBQYBHISA-N -1 3 374.441 0.884 10 0 FCAEHM CC[C@H](C)C(=O)NCc1nc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc(=O)[n-]1 ZINC001290364382 1262433612 /nfs/dbraw/zinc/43/36/12/1262433612.db2.gz NBCMTKXWMXNWJE-MAXXOLAJSA-N -1 3 374.441 0.884 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)CCc2nnc[nH]2)CCN1C(=O)c1cnc[n-]c1=O ZINC001290406735 1262437637 /nfs/dbraw/zinc/43/76/37/1262437637.db2.gz RXVWOEVYACFOLW-NWDGAFQWSA-N -1 3 359.390 0.042 10 0 FCAEHM CC[C@H](C)OCC(=O)N1C[C@H]2CCN(C(=O)c3cnc[n-]c3=O)C[C@H]2C1 ZINC001290506094 1262457885 /nfs/dbraw/zinc/45/78/85/1262457885.db2.gz MSVYQQHBUVXFNC-MJBXVCDLSA-N -1 3 362.430 0.918 10 0 FCAEHM CC[C@@H](C)OCC(=O)N1C[C@H]2CCN(C(=O)c3cnc[n-]c3=O)C[C@H]2C1 ZINC001290506093 1262457946 /nfs/dbraw/zinc/45/79/46/1262457946.db2.gz MSVYQQHBUVXFNC-MCIONIFRSA-N -1 3 362.430 0.918 10 0 FCAEHM COCC[C@H](C)C(=O)N1CC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@@H]2C1 ZINC001290519759 1262461755 /nfs/dbraw/zinc/46/17/55/1262461755.db2.gz NQDBFAHZEOCISO-MJBXVCDLSA-N -1 3 362.430 0.775 10 0 FCAEHM CO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1c(C)nc(C)[n-]c1=O ZINC001291805311 1262592976 /nfs/dbraw/zinc/59/29/76/1262592976.db2.gz BSPDHPXOWJMZQJ-FDEJFUCISA-N -1 3 362.430 0.625 10 0 FCAEHM CCCN(C(=O)c1cnc[n-]c1=O)[C@@H]1CCN(C(=O)[C@]23C[C@H]2COC3)C1 ZINC001296774992 1262836681 /nfs/dbraw/zinc/83/66/81/1262836681.db2.gz JITNKTPXWVXHBQ-JCGVRSQUSA-N -1 3 360.414 0.672 10 0 FCAEHM O=C(NC[C@H](O)CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)c1cccc2n[n-]nc21 ZINC001298184519 1262914319 /nfs/dbraw/zinc/91/43/19/1262914319.db2.gz HBOZBVVAHTXGFX-UKTARXLSSA-N -1 3 369.425 0.767 10 0 FCAEHM Cc1nc(C)c(CC(=O)NC/C=C\CNC(=O)[C@]23C[C@H]2COC3)c(=O)[n-]1 ZINC001298410644 1262924499 /nfs/dbraw/zinc/92/44/99/1262924499.db2.gz ZUCKUBLSHGFCBY-ATRACHIOSA-N -1 3 360.414 0.167 10 0 FCAEHM NC(=O)[C@]12CCC[C@H]1CN(C(=O)N[C@H]1CCN(c3cc(=O)[n-]cn3)C1)C2 ZINC001479511064 1263235175 /nfs/dbraw/zinc/23/51/75/1263235175.db2.gz XNNQLFCSDUMAPS-PRXAMGSTSA-N -1 3 360.418 0.058 10 0 FCAEHM CC(C)N(CCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)Cc1nc(=O)n(C)[n-]1 ZINC001481354268 1263439404 /nfs/dbraw/zinc/43/94/04/1263439404.db2.gz BXAJLPSQMWMMBM-MCIONIFRSA-N -1 3 351.451 0.393 10 0 FCAEHM CNC(=O)NCC(=O)N[C@H]1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)[C@@H]1C ZINC001316784396 1263475611 /nfs/dbraw/zinc/47/56/11/1263475611.db2.gz LECDLUZLIOKCSS-MFKMUULPSA-N -1 3 362.434 0.068 10 0 FCAEHM C[C@@H]1COCC[C@@H]1C(=O)NCC(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC001320954287 1263886882 /nfs/dbraw/zinc/88/68/82/1263886882.db2.gz WUCCYXARWDBVDK-ZJUUUORDSA-N -1 3 360.370 0.768 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CCC(OCC(N)=O)CC1 ZINC001322166696 1264157686 /nfs/dbraw/zinc/15/76/86/1264157686.db2.gz ABFFVMBCXKGMID-UHFFFAOYSA-N -1 3 373.413 0.658 10 0 FCAEHM CN(CCOCCNC(=O)[C@@H]1C[C@H]1C1CCC1)C(=O)c1cnc[n-]c1=O ZINC001510197704 1264485770 /nfs/dbraw/zinc/48/57/70/1264485770.db2.gz PYKNWZOTDGBCHB-UONOGXRCSA-N -1 3 362.430 0.823 10 0 FCAEHM C[C@H](CN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NC(=O)c1cccc2n[n-]nc21 ZINC001510683899 1264508850 /nfs/dbraw/zinc/50/88/50/1264508850.db2.gz GOVGXCQDEFIRBA-GELPCGQNSA-N -1 3 369.425 0.958 10 0 FCAEHM Cc1cccc([C@@H]2C[C@H]2C(=O)NC[C@@H](CO)NC(=O)c2cnc[n-]c2=O)c1 ZINC001510960020 1264522697 /nfs/dbraw/zinc/52/26/97/1264522697.db2.gz SSTLNZYGBBBEPH-SOUVJXGZSA-N -1 3 370.409 0.501 10 0 FCAEHM CCOCCO[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001513221158 1264971794 /nfs/dbraw/zinc/97/17/94/1264971794.db2.gz BIEVYYYMARQGJS-YRGRVCCFSA-N -1 3 366.418 0.201 10 0 FCAEHM COCC[C@H](C)C(=O)N1CC[C@@H]2CN(C(=O)c3c(C)nc[n-]c3=O)[C@@H]2C1 ZINC001514076718 1265321543 /nfs/dbraw/zinc/32/15/43/1265321543.db2.gz OJRLFAOVALBMCY-IACUBPJLSA-N -1 3 362.430 0.836 10 0 FCAEHM C[C@H](CNC(=O)N1CCc2occc2[C@H]1C(=O)[O-])CN1CCN(C)CC1 ZINC001332595097 1266436657 /nfs/dbraw/zinc/43/66/57/1266436657.db2.gz CCJLRYDQYYYIEQ-CJNGLKHVSA-N -1 3 364.446 0.857 10 0 FCAEHM C[C@@H](CNC(=O)C(=O)NCc1ccc([O-])c(F)c1)N1C[C@@H](C)O[C@@H](C)C1 ZINC001333025835 1266526455 /nfs/dbraw/zinc/52/64/55/1266526455.db2.gz QKGQRPZCRIHYPG-RWMBFGLXSA-N -1 3 367.421 0.761 10 0 FCAEHM O=C1CN(c2nnc(-c3nnc(Cl)[n-]3)n2CC2CC2)CCN1C1CC1 ZINC001527810074 1266925482 /nfs/dbraw/zinc/92/54/82/1266925482.db2.gz DUPPAQXQXFNDSL-UHFFFAOYSA-N -1 3 362.825 0.938 10 0 FCAEHM O=C1CN(c2nnc(-c3n[n-]c(Cl)n3)n2CC2CC2)CCN1C1CC1 ZINC001527810074 1266925487 /nfs/dbraw/zinc/92/54/87/1266925487.db2.gz DUPPAQXQXFNDSL-UHFFFAOYSA-N -1 3 362.825 0.938 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001334314487 1266943747 /nfs/dbraw/zinc/94/37/47/1266943747.db2.gz PTHPEGZFFWKUGM-PBINXNQUSA-N -1 3 367.880 0.768 10 0 FCAEHM C[C@H](CNC(=O)[C@]12C[C@H]1COC2)N(C)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001334322231 1266947066 /nfs/dbraw/zinc/94/70/66/1266947066.db2.gz WPUPGLLKOSXYOZ-FKWBGFQESA-N -1 3 371.393 0.183 10 0 FCAEHM O=C(CN1CCc2ccccc2C1=O)N1CCC(Cc2nnn[n-]2)CC1 ZINC001528797539 1266997145 /nfs/dbraw/zinc/99/71/45/1266997145.db2.gz AZTAVQKCUADXOV-UHFFFAOYSA-N -1 3 354.414 0.679 10 0 FCAEHM O=C(CN1CCc2ccccc2C1=O)N1CCC(Cc2nn[n-]n2)CC1 ZINC001528797539 1266997150 /nfs/dbraw/zinc/99/71/50/1266997150.db2.gz AZTAVQKCUADXOV-UHFFFAOYSA-N -1 3 354.414 0.679 10 0 FCAEHM CO[C@@H](C(=O)NC1CCN(c2nc(C)cc(=O)[n-]2)CC1)[C@@H]1CCOC1 ZINC001529076215 1267022152 /nfs/dbraw/zinc/02/21/52/1267022152.db2.gz NFBZFCKHGBQBDJ-IUODEOHRSA-N -1 3 350.419 0.627 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)[C@]1([C@H]2CCCCO2)CCCO1 ZINC001529187395 1267040785 /nfs/dbraw/zinc/04/07/85/1267040785.db2.gz GGQOYOJMWXVJCX-HBUWYVDXSA-N -1 3 362.430 0.995 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC/C=C/CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001533591787 1267231094 /nfs/dbraw/zinc/23/10/94/1267231094.db2.gz AILPWVJYJBQFCT-PUWCWTCHSA-N -1 3 370.413 0.430 10 0 FCAEHM CN1C(=O)CC[C@@H]1C(=O)Nc1ncc(S(=O)(=O)[N-]C(C)(C)C)s1 ZINC001535303144 1267289175 /nfs/dbraw/zinc/28/91/75/1267289175.db2.gz UERDLCOWFVPMFP-MRVPVSSYSA-N -1 3 360.461 0.779 10 0 FCAEHM Cn1cnc(/C=C\C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC001538089708 1267391950 /nfs/dbraw/zinc/39/19/50/1267391950.db2.gz VWGXOYUWWJVGDF-HYXAFXHYSA-N -1 3 370.381 0.806 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H](COC(C)C)NC(=O)OC(C)(C)C ZINC001542942357 1267513245 /nfs/dbraw/zinc/51/32/45/1267513245.db2.gz YYGKMSNHESBUNU-STQMWFEESA-N -1 3 370.450 0.933 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC001542940365 1267513473 /nfs/dbraw/zinc/51/34/73/1267513473.db2.gz PYWAQZHJIIDHHM-JTQLQIEISA-N -1 3 357.819 0.985 10 0 FCAEHM CS(=O)(=O)C1CCC(C(=O)NCCNC(=O)c2ccc([O-])cc2)CC1 ZINC001545667122 1267619780 /nfs/dbraw/zinc/61/97/80/1267619780.db2.gz IYBDMCXIIFJGKE-UHFFFAOYSA-N -1 3 368.455 0.842 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N(C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001338667353 1268032569 /nfs/dbraw/zinc/03/25/69/1268032569.db2.gz SADHIVMTWXTEHL-MELADBBJSA-N -1 3 362.430 0.428 10 0 FCAEHM COC[C@H](C)CC(=O)N1C[C@@H]2CCN(C(=O)c3c(C)nc[n-]c3=O)[C@@H]2C1 ZINC001341135604 1268798736 /nfs/dbraw/zinc/79/87/36/1268798736.db2.gz SRMATTVZDJJCHA-KWCYVHTRSA-N -1 3 362.430 0.836 10 0 FCAEHM Cn1cc([C@@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3[O-])[C@@H](O)C(=O)N2C)cn1 ZINC001556081652 1268810238 /nfs/dbraw/zinc/81/02/38/1268810238.db2.gz GISJRWSIRHASEN-MGPQQGTHSA-N -1 3 364.789 0.908 10 0 FCAEHM CC(=O)c1cccc(NC(=O)[C@H](CO)NC(=O)c2cccc(F)n2)c1[O-] ZINC001556853869 1268899578 /nfs/dbraw/zinc/89/95/78/1268899578.db2.gz WNGJYPVKTUAGHU-ZDUSSCGKSA-N -1 3 361.329 0.858 10 0 FCAEHM O=C(NCCCc1cc(=O)[nH][n-]1)c1nn(-c2ccc(F)cc2)ccc1=O ZINC001556868208 1268901246 /nfs/dbraw/zinc/90/12/46/1268901246.db2.gz PXHSPPFREJLDAA-UHFFFAOYSA-N -1 3 357.345 0.758 10 0 FCAEHM CC1CCC(NS(=O)(=O)CC(=O)NCc2cc(=O)[n-]c(=S)[nH]2)CC1 ZINC001557321297 1268943386 /nfs/dbraw/zinc/94/33/86/1268943386.db2.gz NNUQVNKXEKBYGZ-UHFFFAOYSA-N -1 3 374.488 0.585 10 0 FCAEHM CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001557319934 1268943543 /nfs/dbraw/zinc/94/35/43/1268943543.db2.gz PACCLEHJFMUYKB-WDEREUQCSA-N -1 3 354.407 0.707 10 0 FCAEHM CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001557319933 1268943574 /nfs/dbraw/zinc/94/35/74/1268943574.db2.gz PACCLEHJFMUYKB-QWRGUYRKSA-N -1 3 354.407 0.707 10 0 FCAEHM Cn1cc(/C=C/C(=O)Nc2cc3oc([O-])nc3cc2F)c(=O)n(C)c1=O ZINC001557435777 1268947297 /nfs/dbraw/zinc/94/72/97/1268947297.db2.gz NDXPYSWRUCXTGJ-ONEGZZNKSA-N -1 3 360.301 0.722 10 0 FCAEHM O=C(C[C@@H]1CS(=O)(=O)c2ccccc2O1)NCCCc1c[n-][nH]c1=O ZINC001557700823 1268967677 /nfs/dbraw/zinc/96/76/77/1268967677.db2.gz AOGGBAABJRTTMB-VXGBXAGGSA-N -1 3 365.411 0.240 10 0 FCAEHM CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NCCCc1c[n-][nH]c1=O ZINC001557701089 1268968032 /nfs/dbraw/zinc/96/80/32/1268968032.db2.gz GNJRMXRMKMNYNO-RDBSUJKOSA-N -1 3 351.451 0.835 10 0 FCAEHM C[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)[N-]n3ccc(=O)[nH]c3=O)c2N1 ZINC001557734908 1268972922 /nfs/dbraw/zinc/97/29/22/1268972922.db2.gz RFTODTHVOMUNIM-HTRCEHHLSA-N -1 3 358.280 0.837 10 0 FCAEHM O=C(CCc1[nH]c(O)nc1O)Nc1n[n-]c2cnc(Br)cc21 ZINC001557876248 1268982853 /nfs/dbraw/zinc/98/28/53/1268982853.db2.gz AEFHQAQXLLPNKR-LURJTMIESA-N -1 3 367.163 0.647 10 0 FCAEHM CC(C)OC(=O)c1cc(NC(=O)[C@@H](C)S(=O)(=O)C2CCOCC2)[n-]n1 ZINC001558559502 1269114059 /nfs/dbraw/zinc/11/40/59/1269114059.db2.gz FLAFDDPUKVHFOO-SNVBAGLBSA-N -1 3 373.431 0.896 10 0 FCAEHM CC(C)OC(=O)c1cc(NC(=O)[C@@H](C)S(=O)(=O)C2CCOCC2)n[n-]1 ZINC001558559502 1269114062 /nfs/dbraw/zinc/11/40/62/1269114062.db2.gz FLAFDDPUKVHFOO-SNVBAGLBSA-N -1 3 373.431 0.896 10 0 FCAEHM Cc1noc(CCC(=O)N[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@H]2C)n1 ZINC001342496943 1269492337 /nfs/dbraw/zinc/49/23/37/1269492337.db2.gz CETQGHCMKBVYKR-BXKDBHETSA-N -1 3 360.374 0.083 10 0 FCAEHM O=C(Cn1c(=O)[n-][nH]c1=O)NC[C@H]1CC[C@@H](NC/C(Cl)=C/Cl)C1 ZINC001565916566 1269516532 /nfs/dbraw/zinc/51/65/32/1269516532.db2.gz LQAQMCBTINFVPE-DLGWSKDZSA-N -1 3 364.233 0.883 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](CC(N)=O)C2CCOCC2)c1 ZINC001566199269 1269621695 /nfs/dbraw/zinc/62/16/95/1269621695.db2.gz FZKIQQGHUPVIGF-CQSZACIVSA-N -1 3 361.398 0.917 10 0 FCAEHM CCn1cc(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)nn1 ZINC001567941753 1269714384 /nfs/dbraw/zinc/71/43/84/1269714384.db2.gz BBGYVLUPGMQKAN-UHFFFAOYSA-N -1 3 359.358 0.285 10 0 FCAEHM O=C(N[C@@H](CNCc1cc(=O)n2[n-]ccc2n1)C1CC1)[C@]12C[C@H]1COC2 ZINC001569305058 1269773905 /nfs/dbraw/zinc/77/39/05/1269773905.db2.gz XUNSAQZJYVMYKD-YEWDVWPNSA-N -1 3 357.414 0.044 10 0 FCAEHM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)NCc1nc(=O)n(C)[n-]1 ZINC001571419591 1269933366 /nfs/dbraw/zinc/93/33/66/1269933366.db2.gz UNPLFHIJOCQQPH-BYCMXARLSA-N -1 3 361.421 0.988 10 0 FCAEHM CC(C)[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)NC(=O)c1cn[n-]n1 ZINC001572197138 1270007865 /nfs/dbraw/zinc/00/78/65/1270007865.db2.gz DRMWAMITPPOBMV-BFHYXJOUSA-N -1 3 359.434 0.603 10 0 FCAEHM O=C(N[C@H](CO)CNC(=O)[C@@H]1C[C@H]1c1ccsc1)c1cnc[n-]c1=O ZINC001572336166 1270041182 /nfs/dbraw/zinc/04/11/82/1270041182.db2.gz AABMVGBOYTWECA-SDDRHHMPSA-N -1 3 362.411 0.254 10 0 FCAEHM Cc1ccn(C[C@H](C)C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2cn[n-]n2)n1 ZINC001344114817 1270100047 /nfs/dbraw/zinc/10/00/47/1270100047.db2.gz VYEKYCGZKIBBTM-IACUBPJLSA-N -1 3 359.434 0.803 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)NCc1nc(CNC(=O)C(C)(C)F)cc(=O)[n-]1 ZINC001344649839 1270217717 /nfs/dbraw/zinc/21/77/17/1270217717.db2.gz KVNVOWAHYARXPY-NEPJUHHUSA-N -1 3 368.409 0.978 10 0 FCAEHM CC=C(C)C(=O)NCc1nc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc(=O)[n-]1 ZINC001344652598 1270217824 /nfs/dbraw/zinc/21/78/24/1270217824.db2.gz YJZVDZFQXNCQFT-TXIIWXJCSA-N -1 3 372.425 0.804 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)COCc1ccncc1 ZINC001344872589 1270265636 /nfs/dbraw/zinc/26/56/36/1270265636.db2.gz AYFPKVJCSALYTO-DZGCQCFKSA-N -1 3 358.402 0.526 10 0 FCAEHM COc1ccccc1CN1CCN(c2nnc(-c3nnn[n-]3)n2C)CC1 ZINC001344997326 1270294833 /nfs/dbraw/zinc/29/48/33/1270294833.db2.gz CUHPVDGLYUIVHL-UHFFFAOYSA-N -1 3 355.406 0.326 10 0 FCAEHM COc1ccccc1CN1CCN(c2nnc(-c3nn[n-]n3)n2C)CC1 ZINC001344997326 1270294841 /nfs/dbraw/zinc/29/48/41/1270294841.db2.gz CUHPVDGLYUIVHL-UHFFFAOYSA-N -1 3 355.406 0.326 10 0 FCAEHM COCCCCC(=O)N1C[C@@H](NC(=O)c2c(C)nc[n-]c2=O)[C@H](OC)C1 ZINC001572964343 1270420067 /nfs/dbraw/zinc/42/00/67/1270420067.db2.gz GDXIZGRSIKYAKO-CHWSQXEVSA-N -1 3 366.418 0.263 10 0 FCAEHM CCC[C@H](C)C(=O)N1C[C@@H](NC(=O)c2c(C)nc[n-]c2=O)[C@H](OC)C1 ZINC001572964774 1270420902 /nfs/dbraw/zinc/42/09/02/1270420902.db2.gz RMTRRMGFSJDESE-CYZMBNFOSA-N -1 3 350.419 0.882 10 0 FCAEHM CC(C)C[C@@H](C)CC(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@@H]1O ZINC001573014248 1270506312 /nfs/dbraw/zinc/50/63/12/1270506312.db2.gz JMWIWBJTZBYDBY-BNOWGMLFSA-N -1 3 350.419 0.556 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](NC(=O)C[C@H](C)CC(C)C)[C@@H](O)C1 ZINC001573014888 1270507095 /nfs/dbraw/zinc/50/70/95/1270507095.db2.gz UDNSVVIQGRLITG-BNOWGMLFSA-N -1 3 364.446 0.864 10 0 FCAEHM CCCC1(C(=O)N[C@@H]2CN(C(=O)c3c(C)nc[n-]c3=O)C[C@@H]2O)CCC1 ZINC001573023956 1270530782 /nfs/dbraw/zinc/53/07/82/1270530782.db2.gz WNKLZOHTSASDFF-OLZOCXBDSA-N -1 3 362.430 0.763 10 0 FCAEHM O=C(COCC(F)F)NC[C@H]1CC[C@@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001573186224 1270646852 /nfs/dbraw/zinc/64/68/52/1270646852.db2.gz MKPGCUUVUZMYSB-VHSXEESVSA-N -1 3 358.345 0.479 10 0 FCAEHM CC(C)CC(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)n1 ZINC001573248745 1270708906 /nfs/dbraw/zinc/70/89/06/1270708906.db2.gz IHJCUABUAUZJNP-MTVAPTMQSA-N -1 3 374.441 0.884 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NCc1nc(CNC(=O)C[C@H]2CCOC2)cc(=O)[n-]1 ZINC001573250058 1270709054 /nfs/dbraw/zinc/70/90/54/1270709054.db2.gz VQIDYHFSNFNYFC-YRGRVCCFSA-N -1 3 362.430 0.887 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2cnc[n-]c2=O)CCN1C(=O)COCCCOC ZINC001573273211 1270728585 /nfs/dbraw/zinc/72/85/85/1270728585.db2.gz CKOMMDZOXURUMG-UONOGXRCSA-N -1 3 366.418 0.345 10 0 FCAEHM CCOCCOCC(=O)N1CC[C@H](NC(=O)c2cnc[n-]c2=O)[C@H]1CC ZINC001573274484 1270729842 /nfs/dbraw/zinc/72/98/42/1270729842.db2.gz KKNXWXHVMAMXJE-UONOGXRCSA-N -1 3 366.418 0.345 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)COCc1ncc(C)o1 ZINC001573275935 1270732160 /nfs/dbraw/zinc/73/21/60/1270732160.db2.gz OWCDWTVOIUAMRW-WCQYABFASA-N -1 3 362.390 0.427 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CNC(=O)COCC(F)F ZINC001573873948 1270914775 /nfs/dbraw/zinc/91/47/75/1270914775.db2.gz BGAGIUMGOKEJQX-NXEZZACHSA-N -1 3 358.345 0.288 10 0 FCAEHM O=C(Cc1cc[nH]n1)NC[C@]12CCC[C@H]1N(C(=O)c1cnc[n-]c1=O)CC2 ZINC001574085878 1271063381 /nfs/dbraw/zinc/06/33/81/1271063381.db2.gz FHAGNSDCEQPYIO-RDTXWAMCSA-N -1 3 370.413 0.649 10 0 FCAEHM CC(C)(COCC(F)F)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn[n-]n1)C2 ZINC001574295067 1271170661 /nfs/dbraw/zinc/17/06/61/1271170661.db2.gz MTEOFGBBNXHMGN-SCVCMEIPSA-N -1 3 371.388 0.974 10 0 FCAEHM O=C(NCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1cc(=O)[n-]c(C2CC2)n1 ZINC001575363547 1272003540 /nfs/dbraw/zinc/00/35/40/1272003540.db2.gz XRZSBWOGDKGIEO-LIIPTPMRSA-N -1 3 358.398 0.329 10 0 FCAEHM Cn1[n-]c(CN2CC[C@@H](CCNC(=O)[C@]34CCC[C@H]3OCC4)C2)nc1=O ZINC001713732767 1287294715 /nfs/dbraw/zinc/29/47/15/1287294715.db2.gz NTWAWMDLDPQAKP-LBTNJELSSA-N -1 3 363.462 0.396 10 0 FCAEHM Cn1[n-]c(CNC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)C(C)(C)C)nc1=O ZINC001717962810 1287450711 /nfs/dbraw/zinc/45/07/11/1287450711.db2.gz ANMDMJDPNNGUIP-IPYPFGDCSA-N -1 3 365.478 0.544 10 0 FCAEHM O=C(CCNS(=O)(=O)c1cccs1)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001583364053 1282084015 /nfs/dbraw/zinc/08/40/15/1282084015.db2.gz PLLVXJJAMGKBAJ-UHFFFAOYSA-N -1 3 374.469 0.517 10 0 FCAEHM COc1ccc(-n2cc(C(=O)NCc3cc(=O)[n-]c(=S)[nH]3)nn2)cc1 ZINC001631842476 1282121733 /nfs/dbraw/zinc/12/17/33/1282121733.db2.gz JPQNHXCAKIHVTC-UHFFFAOYSA-N -1 3 358.383 0.990 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H](O)[C@@H](O)c1nc2ccccc2s1 ZINC001632758918 1282204628 /nfs/dbraw/zinc/20/46/28/1282204628.db2.gz YJZLYLMOIKHABL-OASPWFOLSA-N -1 3 362.411 0.319 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)CC(C)C ZINC001585162964 1282207063 /nfs/dbraw/zinc/20/70/63/1282207063.db2.gz BQSALJQFFHOODO-UONOGXRCSA-N -1 3 362.434 0.111 10 0 FCAEHM CCS(=O)(=O)c1ccc(C(=O)NCCc2c(C)[n-][nH]c2=O)c(N)c1 ZINC001585163749 1282207239 /nfs/dbraw/zinc/20/72/39/1282207239.db2.gz QQXHQLIWYFYRFH-LLVKDONJSA-N -1 3 352.416 0.304 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)Cn1cc(C=O)c(-c2ccccc2)n1 ZINC001585163502 1282207317 /nfs/dbraw/zinc/20/73/17/1282207317.db2.gz KYGPPTBUBCFUQI-OAHLLOKOSA-N -1 3 353.382 0.991 10 0 FCAEHM Cn1nncc1C1(O)CN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)C1 ZINC001633067692 1282226215 /nfs/dbraw/zinc/22/62/15/1282226215.db2.gz JSNHICGLZVUOMC-UHFFFAOYSA-N -1 3 361.308 0.278 10 0 FCAEHM CC1(C)CN(C2(CNC(=O)Cn3c(=O)[n-][nH]c3=O)CCCCC2)CCO1 ZINC001585682167 1282239650 /nfs/dbraw/zinc/23/96/50/1282239650.db2.gz IJRIEHWQBYQFMF-UHFFFAOYSA-N -1 3 367.450 0.619 10 0 FCAEHM CN(C)c1cccc(CNC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)n1 ZINC001633380016 1282241869 /nfs/dbraw/zinc/24/18/69/1282241869.db2.gz FUIHXEIDZXKXST-ZDUSSCGKSA-N -1 3 357.418 0.721 10 0 FCAEHM COc1ccc(C(=O)NCC(=O)NCCCc2c[n-][nH]c2=O)cc1OC ZINC001585934034 1282257179 /nfs/dbraw/zinc/25/71/79/1282257179.db2.gz QXDWOTCDJCJIMA-LBPRGKRZSA-N -1 3 362.386 0.062 10 0 FCAEHM CN(C)CCNS(=O)(=O)c1cccc(NC(=O)c2cnncc2[O-])c1 ZINC001633753623 1282271595 /nfs/dbraw/zinc/27/15/95/1282271595.db2.gz KPXBESVMEJXPTN-UHFFFAOYSA-N -1 3 365.415 0.274 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)c1 ZINC001586137449 1282276962 /nfs/dbraw/zinc/27/69/62/1282276962.db2.gz CRIQXOQAGHZPPX-GFCCVEGCSA-N -1 3 367.427 0.671 10 0 FCAEHM CC(C)(c1nnc(C(=O)N2CCc3c(nc[n-]c3=O)C2)o1)S(C)(=O)=O ZINC001634020059 1282292987 /nfs/dbraw/zinc/29/29/87/1282292987.db2.gz OSZHLXONQGAQOS-UHFFFAOYSA-N -1 3 367.387 0.043 10 0 FCAEHM O=C(NCCCNC(=O)c1ccccc1F)c1ccc(-c2nnn[n-]2)cn1 ZINC001587238247 1282342531 /nfs/dbraw/zinc/34/25/31/1282342531.db2.gz MAUYMCJEHUEKIE-UHFFFAOYSA-N -1 3 369.360 0.951 10 0 FCAEHM O=C(NCCCNC(=O)c1ccccc1F)c1ccc(-c2nn[n-]n2)cn1 ZINC001587238247 1282342534 /nfs/dbraw/zinc/34/25/34/1282342534.db2.gz MAUYMCJEHUEKIE-UHFFFAOYSA-N -1 3 369.360 0.951 10 0 FCAEHM CC(C)(CNC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O)CS(N)(=O)=O ZINC001587420312 1282356086 /nfs/dbraw/zinc/35/60/86/1282356086.db2.gz YIXRZCNNTBNTBA-UHFFFAOYSA-N -1 3 373.381 0.851 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)c3cc(=O)[nH]c(C4CC4)n3)CC2)n1 ZINC001634977529 1282368558 /nfs/dbraw/zinc/36/85/58/1282368558.db2.gz GTGNVTKGPXAUSP-UHFFFAOYSA-N -1 3 356.386 0.826 10 0 FCAEHM CNS(=O)(=O)c1cc(NC(=O)Cc2n[nH]c(C3CC3)n2)ccc1[O-] ZINC001635089160 1282378537 /nfs/dbraw/zinc/37/85/37/1282378537.db2.gz QFMGPVGSWQUZLX-UHFFFAOYSA-N -1 3 351.388 0.477 10 0 FCAEHM C[C@H](NC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)C1(S(C)(=O)=O)CC1 ZINC001635135509 1282383588 /nfs/dbraw/zinc/38/35/88/1282383588.db2.gz PMPNDKWZITZDDU-QWRGUYRKSA-N -1 3 369.447 0.026 10 0 FCAEHM Cc1cc(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)ncc1C(N)=O ZINC001588156289 1282405634 /nfs/dbraw/zinc/40/56/34/1282405634.db2.gz SZXOJBAWOWCVAU-UHFFFAOYSA-N -1 3 368.393 0.793 10 0 FCAEHM COc1ccc(NC(=O)[C@]2(C)C[C@@H](O)CN2C)cc1[N-]S(C)(=O)=O ZINC001588163817 1282406559 /nfs/dbraw/zinc/40/65/59/1282406559.db2.gz YSUCCNLCJOEEBP-ABAIWWIYSA-N -1 3 357.432 0.460 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)COCc3nccn3C)CC2)n1 ZINC001635637344 1282418522 /nfs/dbraw/zinc/41/85/22/1282418522.db2.gz RFJIKEWBLAPRCB-UHFFFAOYSA-N -1 3 360.418 0.526 10 0 FCAEHM CCNS(=O)(=O)c1ccc(CC(=O)Nc2nnc(OCC)[n-]2)cc1 ZINC001636063291 1282457010 /nfs/dbraw/zinc/45/70/10/1282457010.db2.gz FOWHNNGFKWOJKT-UHFFFAOYSA-N -1 3 353.404 0.683 10 0 FCAEHM CCNS(=O)(=O)c1ccc(CC(=O)Nc2n[n-]c(OCC)n2)cc1 ZINC001636063291 1282457015 /nfs/dbraw/zinc/45/70/15/1282457015.db2.gz FOWHNNGFKWOJKT-UHFFFAOYSA-N -1 3 353.404 0.683 10 0 FCAEHM CCNS(=O)(=O)c1ccc(CC(=O)Nc2nc(OCC)n[n-]2)cc1 ZINC001636063291 1282457019 /nfs/dbraw/zinc/45/70/19/1282457019.db2.gz FOWHNNGFKWOJKT-UHFFFAOYSA-N -1 3 353.404 0.683 10 0 FCAEHM COc1nnc(NC(=O)[C@H]2CC(=O)N(c3ccc(NC(C)=O)cc3)C2)[n-]1 ZINC001636376963 1282492739 /nfs/dbraw/zinc/49/27/39/1282492739.db2.gz LNPCLOPXTXAGCX-JTQLQIEISA-N -1 3 358.358 0.763 10 0 FCAEHM COc1nc(NC(=O)[C@H]2CC(=O)N(c3ccc(NC(C)=O)cc3)C2)n[n-]1 ZINC001636376963 1282492742 /nfs/dbraw/zinc/49/27/42/1282492742.db2.gz LNPCLOPXTXAGCX-JTQLQIEISA-N -1 3 358.358 0.763 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@H]2CC(=O)N(c3ccc(NC(C)=O)cc3)C2)n1 ZINC001636376963 1282492746 /nfs/dbraw/zinc/49/27/46/1282492746.db2.gz LNPCLOPXTXAGCX-JTQLQIEISA-N -1 3 358.358 0.763 10 0 FCAEHM COc1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccc(NC(C)=O)cc3)C2)[n-]1 ZINC001636376964 1282493241 /nfs/dbraw/zinc/49/32/41/1282493241.db2.gz LNPCLOPXTXAGCX-SNVBAGLBSA-N -1 3 358.358 0.763 10 0 FCAEHM COc1nc(NC(=O)[C@@H]2CC(=O)N(c3ccc(NC(C)=O)cc3)C2)n[n-]1 ZINC001636376964 1282493245 /nfs/dbraw/zinc/49/32/45/1282493245.db2.gz LNPCLOPXTXAGCX-SNVBAGLBSA-N -1 3 358.358 0.763 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@@H]2CC(=O)N(c3ccc(NC(C)=O)cc3)C2)n1 ZINC001636376964 1282493250 /nfs/dbraw/zinc/49/32/50/1282493250.db2.gz LNPCLOPXTXAGCX-SNVBAGLBSA-N -1 3 358.358 0.763 10 0 FCAEHM Cc1cc(C)n2ncc(C(=O)N[C@@H]3CCN(c4cc(=O)[n-]cn4)C3)c2n1 ZINC001636849700 1282541370 /nfs/dbraw/zinc/54/13/70/1282541370.db2.gz CKINODKPLADRJM-GFCCVEGCSA-N -1 3 353.386 0.850 10 0 FCAEHM O=C(Cn1nnc(-c2ccccc2)n1)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001636854992 1282542152 /nfs/dbraw/zinc/54/21/52/1282542152.db2.gz IOQPERZDMQBNTA-ZDUSSCGKSA-N -1 3 366.385 0.231 10 0 FCAEHM COCCOc1cncc(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)c1 ZINC001636855237 1282542854 /nfs/dbraw/zinc/54/28/54/1282542854.db2.gz MJOPANBBQQBCJB-ZDUSSCGKSA-N -1 3 359.386 0.611 10 0 FCAEHM O=C(C[C@H]1Oc2ccccc2NC1=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001636855030 1282543134 /nfs/dbraw/zinc/54/31/34/1282543134.db2.gz JPKRXCWLDPSCNL-SMDDNHRTSA-N -1 3 369.381 0.667 10 0 FCAEHM COCCOc1cncc(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)c1 ZINC001636855236 1282543353 /nfs/dbraw/zinc/54/33/53/1282543353.db2.gz MJOPANBBQQBCJB-CYBMUJFWSA-N -1 3 359.386 0.611 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCCCN2C(=O)NC(C)(C)C2=O)c1 ZINC001637552287 1282605337 /nfs/dbraw/zinc/60/53/37/1282605337.db2.gz LUVYGCISYRIZHB-UHFFFAOYSA-N -1 3 374.397 0.967 10 0 FCAEHM CNC(=O)N[C@H]1CCN(C(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)C1 ZINC001638208426 1282672737 /nfs/dbraw/zinc/67/27/37/1282672737.db2.gz OYZKRVDOJWOARZ-QMMMGPOBSA-N -1 3 350.325 0.950 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)CCn3c(C)cc(O)cc3=O)CC2)n1 ZINC001638489375 1282701223 /nfs/dbraw/zinc/70/12/23/1282701223.db2.gz YHELLFPKPUNNRI-UHFFFAOYSA-N -1 3 373.413 0.405 10 0 FCAEHM CC[C@H](NC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)[C@H](O)C(F)(F)F ZINC001638865061 1282729306 /nfs/dbraw/zinc/72/93/06/1282729306.db2.gz GCCHFLSESWHUPK-PTRXPTGYSA-N -1 3 363.340 0.762 10 0 FCAEHM Cn1ccc(NC(O)=C([O-])[C@](O)(c2ccccc2)C(F)(F)F)nc1=O ZINC001639577167 1282795681 /nfs/dbraw/zinc/79/56/81/1282795681.db2.gz ONYUWOJYZDQTCI-BXUZGUMPSA-N -1 3 357.288 0.364 10 0 FCAEHM O=C(NCCCc1ccccc1)C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001640105100 1282839149 /nfs/dbraw/zinc/83/91/49/1282839149.db2.gz WIQYJMBCHSVGGI-HNNXBMFYSA-N -1 3 369.425 0.626 10 0 FCAEHM CN1C(=O)COc2ccc(C(=O)N[C@@H]3CCN(c4cc(=O)[n-]cn4)C3)cc21 ZINC001640109910 1282839916 /nfs/dbraw/zinc/83/99/16/1282839916.db2.gz JTPZXSDKCZJUAN-GFCCVEGCSA-N -1 3 369.381 0.546 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccc(N2CCCC2)nn1 ZINC001640104761 1282840075 /nfs/dbraw/zinc/84/00/75/1282840075.db2.gz NFLFAXOEBLYENV-GFCCVEGCSA-N -1 3 355.402 0.581 10 0 FCAEHM COC(=O)c1cccc(CC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)c1 ZINC001640110767 1282840682 /nfs/dbraw/zinc/84/06/82/1282840682.db2.gz VYEHCFYPZDTLBD-AWEZNQCLSA-N -1 3 356.382 0.906 10 0 FCAEHM CS(=O)(=O)c1ccc(NCC(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)cc1 ZINC001640600234 1282880191 /nfs/dbraw/zinc/88/01/91/1282880191.db2.gz JTJBHKCGXOPBFK-LLVKDONJSA-N -1 3 364.427 0.947 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])N1CCn2nccc2C1 ZINC001640951748 1282916399 /nfs/dbraw/zinc/91/63/99/1282916399.db2.gz XSVXEKWQPOJUSQ-UHFFFAOYSA-N -1 3 355.329 0.726 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c([O-])cc1=O)N1CCn2nccc2C1 ZINC001640951748 1282916409 /nfs/dbraw/zinc/91/64/09/1282916409.db2.gz XSVXEKWQPOJUSQ-UHFFFAOYSA-N -1 3 355.329 0.726 10 0 FCAEHM Cc1ccc(S(=O)(=O)NCCC(=O)NCCCc2c[n-][nH]c2=O)cc1 ZINC001642446309 1283010791 /nfs/dbraw/zinc/01/07/91/1283010791.db2.gz WVAHSMMJVOQUPS-ZDUSSCGKSA-N -1 3 366.443 0.292 10 0 FCAEHM O=C(CC(=O)N1C[C@@H]2CCN(C(=O)c3ccccc3[O-])[C@@H]2C1)NCC1CC1 ZINC001719046634 1287616206 /nfs/dbraw/zinc/61/62/06/1287616206.db2.gz YFMXRYXPQVVGJG-GOEBONIOSA-N -1 3 371.437 0.981 10 0 FCAEHM COC(=O)c1cc(C2CN(C(=O)NCc3nc(C(F)(F)F)n[n-]3)C2)[nH]n1 ZINC001680398654 1283428680 /nfs/dbraw/zinc/42/86/80/1283428680.db2.gz LTRRUVSSCHPNLI-UHFFFAOYSA-N -1 3 373.295 0.642 10 0 FCAEHM C[S@@](=O)C1(CNC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)CCC1 ZINC001680640010 1283435411 /nfs/dbraw/zinc/43/54/11/1283435411.db2.gz HSEIQPHXCIWMMU-YDGUKXNOSA-N -1 3 353.448 0.361 10 0 FCAEHM CCOC(=O)C[C@H](C)CNC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001681245707 1283488319 /nfs/dbraw/zinc/48/83/19/1283488319.db2.gz GAYZSYLVXWSQCV-NWDGAFQWSA-N -1 3 351.407 0.649 10 0 FCAEHM CO[C@H](CNC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)[C@H]1CCOC1 ZINC001682629466 1283728550 /nfs/dbraw/zinc/72/85/50/1283728550.db2.gz IODWHUNIHIVYLF-RWMBFGLXSA-N -1 3 351.407 0.112 10 0 FCAEHM Cc1cncn1CC(=O)NC[C@H]1CC[C@@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001684485288 1284187174 /nfs/dbraw/zinc/18/71/74/1284187174.db2.gz SCZAZYIPMYEYPC-QWHCGFSZSA-N -1 3 358.402 0.402 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC001684560418 1284201895 /nfs/dbraw/zinc/20/18/95/1284201895.db2.gz FMGQJVMPGFZRQN-AGIUHOORSA-N -1 3 360.418 0.071 10 0 FCAEHM CCO[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CNC(=O)CSC ZINC001684646750 1284236402 /nfs/dbraw/zinc/23/64/02/1284236402.db2.gz HWBFVIJQQVFBMY-ZYHUDNBSSA-N -1 3 354.432 0.139 10 0 FCAEHM CCC[C@@H](OC)C(=O)N1CC[C@@H]2CN(C(=O)c3c(C)nc[n-]c3=O)[C@@H]2C1 ZINC001702425932 1285669978 /nfs/dbraw/zinc/66/99/78/1285669978.db2.gz VJQRSIGSUPQQMA-MGPQQGTHSA-N -1 3 362.430 0.979 10 0 FCAEHM COCC(=O)NC[C@@H]1CN(C(=O)c2cc(=O)c3ccccc3[n-]2)C[C@H]1C ZINC001702780231 1285857672 /nfs/dbraw/zinc/85/76/72/1285857672.db2.gz MSHNPHJKHJPETF-CHWSQXEVSA-N -1 3 357.410 0.999 10 0 FCAEHM CCO[C@@H](CC)C(=O)NC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001702793051 1285872533 /nfs/dbraw/zinc/87/25/33/1285872533.db2.gz FJYQDOFBVVQJLU-BZPMIXESSA-N -1 3 350.419 0.822 10 0 FCAEHM Cc1cc(C(=O)N2C[C@@H](C)[C@H](CCNC(=O)c3cnc[n-]c3=O)C2)cnn1 ZINC001702842924 1285936910 /nfs/dbraw/zinc/93/69/10/1285936910.db2.gz BHGCVFOLKIOJAK-DGCLKSJQSA-N -1 3 370.413 0.809 10 0 FCAEHM COCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001702886575 1285970187 /nfs/dbraw/zinc/97/01/87/1285970187.db2.gz FLCXNCUWKQSKNK-SWHYSGLUSA-N -1 3 357.366 0.078 10 0 FCAEHM CCC[C@@H](OC)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001703049427 1286079017 /nfs/dbraw/zinc/07/90/17/1286079017.db2.gz IKIORUNLMGDNDZ-FBIMIBRVSA-N -1 3 363.340 0.739 10 0 FCAEHM C[C@@H](CC(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1)C(F)(F)F ZINC001735934056 1289050000 /nfs/dbraw/zinc/05/00/00/1289050000.db2.gz OXQNYSGJQYDWTP-SFGNSQDASA-N -1 3 362.308 0.072 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCN([S@](C)(=N)=O)CC2)c1 ZINC001594848449 1286235094 /nfs/dbraw/zinc/23/50/94/1286235094.db2.gz SKMXVBVMHNIWLY-DEOSSOPVSA-N -1 3 352.416 0.866 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)CNC(=O)c1c(C)nc[n-]c1=O ZINC001704785173 1286298758 /nfs/dbraw/zinc/29/87/58/1286298758.db2.gz AYGIZRDQLXWXHA-UHTWSYAYSA-N -1 3 350.419 0.788 10 0 FCAEHM O=C(CCn1c(=O)c2ccccc2[n-]c1=S)N1CC(N[C@@H]2CCOC2)C1 ZINC001597701478 1286356803 /nfs/dbraw/zinc/35/68/03/1286356803.db2.gz QMEISWUMXVEUIO-GFCCVEGCSA-N -1 3 374.466 0.665 10 0 FCAEHM C[C@@]1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CCN(C(=O)c2cnc[n-]c2=O)C1 ZINC001705428082 1286391008 /nfs/dbraw/zinc/39/10/08/1286391008.db2.gz YJKOINOIJQECRI-FMTVUPSXSA-N -1 3 370.413 0.677 10 0 FCAEHM Cc1ncccc1CN1CC[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)[C@H]1C ZINC001707263922 1287120172 /nfs/dbraw/zinc/12/01/72/1287120172.db2.gz KCKVLRIFEAXJFU-ZBFHGGJFSA-N -1 3 371.441 0.409 10 0 FCAEHM COCCOCC(=O)N1C[C@@H](C)[C@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC001719172279 1287824630 /nfs/dbraw/zinc/82/46/30/1287824630.db2.gz CLIPYDZGTSDBPW-BXUZGUMPSA-N -1 3 361.402 0.198 10 0 FCAEHM CCOCC(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1c1ccccc1 ZINC001719210743 1287870636 /nfs/dbraw/zinc/87/06/36/1287870636.db2.gz QRKOSHGXTWBFBS-JKSUJKDBSA-N -1 3 370.409 0.943 10 0 FCAEHM CCC[C@H](CC)C(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@H](OC)C1 ZINC001719232768 1287911344 /nfs/dbraw/zinc/91/13/44/1287911344.db2.gz BRJIMGJXCCFGDB-IACUBPJLSA-N -1 3 350.419 0.964 10 0 FCAEHM CCC(CC)CC(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1OC ZINC001719243198 1287935013 /nfs/dbraw/zinc/93/50/13/1287935013.db2.gz KPCLZUWQCSJLNZ-ZIAGYGMSSA-N -1 3 350.419 0.964 10 0 FCAEHM CCC[C@@H](C)C(=O)N[C@@H]1CN(C(=O)CCc2c(C)nc[n-]c2=O)C[C@@H]1O ZINC001719261980 1287972432 /nfs/dbraw/zinc/97/24/32/1287972432.db2.gz IOINZTQCXDOUNZ-DFBGVHRSSA-N -1 3 364.446 0.547 10 0 FCAEHM CC/C(C)=C\C(=O)N1C[C@@H](NC(=O)Cc2c(C)nc(C)[n-]c2=O)[C@@H](O)C1 ZINC001719274425 1287996963 /nfs/dbraw/zinc/99/69/63/1287996963.db2.gz HWCSPBLBCIJFKD-FVGUCBIESA-N -1 3 362.430 0.386 10 0 FCAEHM C[C@@H](CC(F)(F)F)C(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1 ZINC001719284373 1288026194 /nfs/dbraw/zinc/02/61/94/1288026194.db2.gz PEJDQOGRDLLGEB-SFGNSQDASA-N -1 3 362.308 0.072 10 0 FCAEHM CCC[C@](C)(CC)C(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1 ZINC001719284515 1288027335 /nfs/dbraw/zinc/02/73/35/1288027335.db2.gz URQOMHGPKINXTA-IGCXYCKISA-N -1 3 350.419 0.700 10 0 FCAEHM CC(C)[C@@H](F)C(=O)N[C@@H]1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)C[C@@H]1O ZINC001719299413 1288064301 /nfs/dbraw/zinc/06/43/01/1288064301.db2.gz AVGUPUYQMDJDBY-FRRDWIJNSA-N -1 3 366.393 0.355 10 0 FCAEHM O=C(COC[C@@H]1CCCO1)N[C@@H]1CCCC[C@H]1NC(=O)c1cn[n-]n1 ZINC001719365875 1288112550 /nfs/dbraw/zinc/11/25/50/1288112550.db2.gz MVTOLHVVVKPPHS-YNEHKIRRSA-N -1 3 351.407 0.158 10 0 FCAEHM CCO[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CNC(=O)CCCF ZINC001719489915 1288146635 /nfs/dbraw/zinc/14/66/35/1288146635.db2.gz MUFBUNUIVKIBPD-DGCLKSJQSA-N -1 3 354.382 0.525 10 0 FCAEHM Cn1cc([C@@H]2CN(C(=O)CCC(F)F)C[C@H]2NC(=O)c2cn[n-]n2)cn1 ZINC001736125820 1289162046 /nfs/dbraw/zinc/16/20/46/1289162046.db2.gz DZQAGTDXSCPGGO-CMPLNLGQSA-N -1 3 367.360 0.308 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NCCC[C@@H]1[C@H](C)CCCN1C(=O)C(N)=O ZINC001719522069 1288166457 /nfs/dbraw/zinc/16/64/57/1288166457.db2.gz XAGAHCGXAMGFFV-ZYHUDNBSSA-N -1 3 363.418 0.113 10 0 FCAEHM O=C(COCc1cccnc1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn[n-]n1)C2 ZINC001719912099 1288202726 /nfs/dbraw/zinc/20/27/26/1288202726.db2.gz PJMLDNLOEQYBFZ-NFAWXSAZSA-N -1 3 356.386 0.278 10 0 FCAEHM CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)NC(=O)c1cnc[n-]c1=O ZINC001721511165 1288345766 /nfs/dbraw/zinc/34/57/66/1288345766.db2.gz OJHBFUOQZYUAPB-RWMBFGLXSA-N -1 3 358.402 0.344 10 0 FCAEHM CCN(CCCNC(=O)[C@@H]1C[C@H]1C1CCOCC1)Cc1nc(=O)n(C)[n-]1 ZINC001731312323 1288551508 /nfs/dbraw/zinc/55/15/08/1288551508.db2.gz RVLVKPISIZMHGU-LSDHHAIUSA-N -1 3 365.478 0.499 10 0 FCAEHM CN(CCNCc1nc(=O)n(C)[n-]1)C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC001731984728 1288571380 /nfs/dbraw/zinc/57/13/80/1288571380.db2.gz SXXSOFIFNUBKHS-NWDGAFQWSA-N -1 3 365.384 0.738 10 0 FCAEHM O=C(NCCC1=CCN(C(=O)c2cnc[n-]c2=O)CC1)[C@]12C[C@H]1COC2 ZINC001735626731 1288760734 /nfs/dbraw/zinc/76/07/34/1288760734.db2.gz GYMWOMPZBZCDJP-UGSOOPFHSA-N -1 3 358.398 0.497 10 0 FCAEHM CC(=O)N[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC001735822770 1288929826 /nfs/dbraw/zinc/92/98/26/1288929826.db2.gz RGJCBDBDVGKWDQ-ISTVAULSSA-N -1 3 358.402 0.059 10 0 FCAEHM C[C@@H]1CCCN(C(=O)CC(N)=O)[C@@H]1CCCNC(=O)c1cnc[n-]c1=O ZINC001736169925 1289186975 /nfs/dbraw/zinc/18/69/75/1289186975.db2.gz AJSYPHSPZZLCGD-DGCLKSJQSA-N -1 3 363.418 0.195 10 0 FCAEHM CCC[C@H](C)C(=O)NCc1nc(CNC(=O)[C@]23C[C@H]2COC3)cc(=O)[n-]1 ZINC001736172302 1289187699 /nfs/dbraw/zinc/18/76/99/1289187699.db2.gz PJOYBGKRZNHZAV-PZROIBLQSA-N -1 3 362.430 0.887 10 0 FCAEHM CO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001736461840 1289367688 /nfs/dbraw/zinc/36/76/88/1289367688.db2.gz LEIYQWZMAAGTBX-OLJUCXRQSA-N -1 3 371.393 0.467 10 0 FCAEHM CCOCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)C(=O)[N-]C3=O)C2 ZINC001736501083 1289398560 /nfs/dbraw/zinc/39/85/60/1289398560.db2.gz CJVWHNYBSSFXEU-UGFHNGPFSA-N -1 3 371.393 0.468 10 0 FCAEHM C[C@H](NC(=O)c1ccoc1)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn[n-]n1)C2 ZINC001736564554 1289444850 /nfs/dbraw/zinc/44/48/50/1289444850.db2.gz LYDOWWVCCUQDIE-RSXIPKFTSA-N -1 3 372.385 0.078 10 0 FCAEHM Cn1nccc1[C@@H]1C[C@H]1C(=O)NCCNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001736795802 1289492770 /nfs/dbraw/zinc/49/27/70/1289492770.db2.gz SSHBRASLXZEUSU-VXGBXAGGSA-N -1 3 370.413 0.443 10 0 FCAEHM Cc1nc(C)c(CCC(=O)N2CC[C@H]3CS(=O)(=O)C[C@H]3C2)c(=O)[n-]1 ZINC001611640321 1289663307 /nfs/dbraw/zinc/66/33/07/1289663307.db2.gz ACEQGFMZMPDTBG-QWHCGFSZSA-N -1 3 353.444 0.625 10 0 FCAEHM CC(C)(C)OC(=O)CN1CCCC[C@@H](N=c2ncnc3[nH][n-]cc2-3)C1=O ZINC001612799528 1289700531 /nfs/dbraw/zinc/70/05/31/1289700531.db2.gz NBRZIZXJUIPGPX-GFCCVEGCSA-N -1 3 360.418 0.861 10 0 FCAEHM CCC[C@@H]1C[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001738892084 1289754447 /nfs/dbraw/zinc/75/44/47/1289754447.db2.gz VJUADFVWMJJMIM-JHJVBQTASA-N -1 3 362.430 0.703 10 0 FCAEHM CS[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C[C@H]1O ZINC001702157453 1289759485 /nfs/dbraw/zinc/75/94/85/1289759485.db2.gz CXIPREBKLSLEBA-GGZOMVNGSA-N -1 3 366.443 0.113 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCC(C)(C)NS(C)(=O)=O)c1 ZINC001616322302 1289774960 /nfs/dbraw/zinc/77/49/60/1289774960.db2.gz BGGRSGWYJBCREO-UHFFFAOYSA-N -1 3 355.416 0.574 10 0 FCAEHM Cn1ccnc1[C@H](O)C1CCN(Cc2nc3c(c(=O)[n-]2)COCC3)CC1 ZINC001616455160 1289778944 /nfs/dbraw/zinc/77/89/44/1289778944.db2.gz CHMGBUOINWFAAJ-MRXNPFEDSA-N -1 3 359.430 0.934 10 0 FCAEHM NC(=O)C1CCC(NC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])CC1 ZINC001616579055 1289783050 /nfs/dbraw/zinc/78/30/50/1289783050.db2.gz ALXPBUFGUAMVCK-UHFFFAOYSA-N -1 3 374.372 0.648 10 0 FCAEHM NC(=O)C1CCC(NC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)CC1 ZINC001616579055 1289783054 /nfs/dbraw/zinc/78/30/54/1289783054.db2.gz ALXPBUFGUAMVCK-UHFFFAOYSA-N -1 3 374.372 0.648 10 0 FCAEHM CCC(C)(C)CC(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1O ZINC001702180100 1289793937 /nfs/dbraw/zinc/79/39/37/1289793937.db2.gz LGVSHYHNXGCBQQ-VXGBXAGGSA-N -1 3 350.419 0.618 10 0 FCAEHM CS[C@@H](C)CC(=O)N1CC[C@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@H]21 ZINC001739371388 1289865429 /nfs/dbraw/zinc/86/54/29/1289865429.db2.gz YJOLZARVUFDFJJ-GMXVVIOVSA-N -1 3 350.444 0.997 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(C(=O)c3cn(C)ccc3=O)CC2)n[n-]1 ZINC001618408461 1289904517 /nfs/dbraw/zinc/90/45/17/1289904517.db2.gz HFOUJSANZWQGOA-UHFFFAOYSA-N -1 3 359.386 0.700 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(C(=O)c3cn(C)ccc3=O)CC2)[n-]1 ZINC001618408461 1289904522 /nfs/dbraw/zinc/90/45/22/1289904522.db2.gz HFOUJSANZWQGOA-UHFFFAOYSA-N -1 3 359.386 0.700 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)[C@@]2(N(C)C)COc3ccccc3C2)n[n-]1 ZINC001618404792 1289905218 /nfs/dbraw/zinc/90/52/18/1289905218.db2.gz SSPJBWNDQMWOMH-KRWDZBQOSA-N -1 3 359.386 0.394 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1NC(=O)CCc1nccn1C ZINC001702273618 1289945008 /nfs/dbraw/zinc/94/50/08/1289945008.db2.gz AUHFGMDHWMPFPO-DGCLKSJQSA-N -1 3 358.402 0.125 10 0 FCAEHM CC1(CC(=O)N[C@@H]2CN(C(=O)c3ccc4c(c3)C(=O)[N-]C4=O)C[C@H]2O)CC1 ZINC001739444290 1290005147 /nfs/dbraw/zinc/00/51/47/1290005147.db2.gz LTJNPNSCKQFMSZ-ZIAGYGMSSA-N -1 3 371.393 0.062 10 0 FCAEHM C[C@@H](CCC(C)(C)C)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@@H]1O ZINC001702372243 1290153857 /nfs/dbraw/zinc/15/38/57/1290153857.db2.gz CHJOAKCOWFMWRS-YUTCNCBUSA-N -1 3 364.446 0.946 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CN(C(=O)[C@H](C)CC(C)C)C[C@@H]1O ZINC001702380709 1290169527 /nfs/dbraw/zinc/16/95/27/1290169527.db2.gz FWYRDSOSONYECU-RTXFEEFZSA-N -1 3 350.419 0.474 10 0 FCAEHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)CC1CS(=O)(=O)C1 ZINC001623645316 1290227426 /nfs/dbraw/zinc/22/74/26/1290227426.db2.gz YQESFXNIWMTITM-ZJUUUORDSA-N -1 3 355.416 0.301 10 0 FCAEHM O=C(CCCCc1ccccc1)N1C[C@@H](NC(=O)c2cn[n-]n2)[C@@H](O)C1 ZINC001739651631 1290300092 /nfs/dbraw/zinc/30/00/92/1290300092.db2.gz ZDMVXPVDNDNFNU-CVEARBPZSA-N -1 3 357.414 0.519 10 0 FCAEHM CCO[C@@H]1CN(C(=O)CCc2c(C)nc[n-]c2=O)C[C@H]1CNC(=O)CC ZINC001739938749 1290447293 /nfs/dbraw/zinc/44/72/93/1290447293.db2.gz KYTKIGBSSPZAAE-UKRRQHHQSA-N -1 3 364.446 0.813 10 0 FCAEHM COCC(=O)NCc1nc(CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)cc(=O)[n-]1 ZINC001739980703 1290457568 /nfs/dbraw/zinc/45/75/68/1290457568.db2.gz NUIKTBWQPUUKCG-VXGBXAGGSA-N -1 3 350.419 0.743 10 0 FCAEHM CC(C)[C@@H](F)C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@]23C[C@H]2COC3)n1 ZINC001739982727 1290459112 /nfs/dbraw/zinc/45/91/12/1290459112.db2.gz KDYBMFBTACVEGB-IXBGWNDUSA-N -1 3 366.393 0.445 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)NCC2N=NC(=O)N2C2CC2)c([O-])c1 ZINC001627942235 1290497566 /nfs/dbraw/zinc/49/75/66/1290497566.db2.gz ZWUBQCNLHRBCLV-UHFFFAOYSA-N -1 3 359.386 0.769 10 0 FCAEHM CCCc1nnc(SCC(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)n1N ZINC001628250840 1290519395 /nfs/dbraw/zinc/51/93/95/1290519395.db2.gz DXAVGWOWSZJMHF-SECBINFHSA-N -1 3 351.436 0.481 10 0 FCAEHM COCCOC(=O)c1c(C)[nH]c(C(=O)NCCc2c(C)[n-][nH]c2=O)c1C ZINC001628270367 1290522397 /nfs/dbraw/zinc/52/23/97/1290522397.db2.gz ROSJNCUETBYIDQ-GFCCVEGCSA-N -1 3 364.402 0.677 10 0 FCAEHM Cn1c2ncn(CC(=O)Nc3c([O-])cccc3Cl)c2c(=O)n(C)c1=O ZINC001628560601 1290541727 /nfs/dbraw/zinc/54/17/27/1290541727.db2.gz ZJEOHANCDLFIHC-UHFFFAOYSA-N -1 3 363.761 0.431 10 0 FCAEHM CO[C@@H]1CCn2cc(C(=O)NCCNC(=O)c3ccc([O-])cc3)nc2C1 ZINC001630331495 1290661013 /nfs/dbraw/zinc/66/10/13/1290661013.db2.gz LZYXIQLAHBNSIK-CQSZACIVSA-N -1 3 358.398 0.710 10 0 FCAEHM O=C(Cc1ccccc1S(=O)(=O)C(F)F)NCCCc1c[n-][nH]c1=O ZINC001630630806 1290682498 /nfs/dbraw/zinc/68/24/98/1290682498.db2.gz CLHYAWAAWOXCGN-LLVKDONJSA-N -1 3 373.381 0.854 10 0 FCAEHM O=C(CCCCN1CCOCC1)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001644156273 1290944811 /nfs/dbraw/zinc/94/48/11/1290944811.db2.gz IQHVTDVQQRUKAN-UHFFFAOYSA-N -1 3 350.419 0.374 10 0 FCAEHM CC(C)(C)OC(=O)[C@]1(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)CCCO1 ZINC001644272688 1290951887 /nfs/dbraw/zinc/95/18/87/1290951887.db2.gz GFGUJRKJVDFETI-OAHLLOKOSA-N -1 3 355.416 0.978 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)CNc3ccccc3C(N)=O)CC2)n1 ZINC001645590798 1291036986 /nfs/dbraw/zinc/03/69/86/1291036986.db2.gz DKBGWNBSTXVNFP-UHFFFAOYSA-N -1 3 370.413 0.350 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)c3ccnc4c3nnn4C)CC2)n1 ZINC001645592280 1291037617 /nfs/dbraw/zinc/03/76/17/1291037617.db2.gz VRLWRLQKUYQVLM-UHFFFAOYSA-N -1 3 354.374 0.130 10 0 FCAEHM C/C=C/[C@H](O)C(=O)NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1 ZINC001646003852 1291053702 /nfs/dbraw/zinc/05/37/02/1291053702.db2.gz BPFPMTYVMMNSHN-QRGHLMKCSA-N -1 3 352.391 0.760 10 0 FCAEHM COc1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2CCO)cc(OC)c1[O-] ZINC001646012020 1291054661 /nfs/dbraw/zinc/05/46/61/1291054661.db2.gz UBYZSDCSJXLREG-NSHDSACASA-N -1 3 359.400 0.031 10 0 FCAEHM Cc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)c([O-])c1 ZINC001646223609 1291062881 /nfs/dbraw/zinc/06/28/81/1291062881.db2.gz WKFNKBWYXIXNBX-VMBJYNEYSA-N -1 3 366.439 0.642 10 0 FCAEHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCO[C@@H](CS(C)(=O)=O)C2)c1 ZINC001648002293 1291093720 /nfs/dbraw/zinc/09/37/20/1291093720.db2.gz UWHNMPNFMOWNBD-GFCCVEGCSA-N -1 3 356.400 0.236 10 0 FCAEHM Cc1cc(I)cc(C(=O)NN2CC(=O)[N-]C2=O)c1 ZINC001648445227 1291120914 /nfs/dbraw/zinc/12/09/14/1291120914.db2.gz MTOYADJPGLMQMC-UHFFFAOYSA-N -1 3 359.123 0.796 10 0 FCAEHM O=C(NN1CC(=O)[N-]C1=O)c1cc(Br)c2nccnc2c1 ZINC001648445242 1291120469 /nfs/dbraw/zinc/12/04/69/1291120469.db2.gz NTQRABZCUAFKBC-UHFFFAOYSA-N -1 3 350.132 0.589 10 0 FCAEHM CN1CCN(CCCNC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](c2ccccc2)C1 ZINC001649368694 1291146014 /nfs/dbraw/zinc/14/60/14/1291146014.db2.gz UZXVAEIEUMTMCA-CQSZACIVSA-N -1 3 372.429 0.391 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC001650852373 1291181453 /nfs/dbraw/zinc/18/14/53/1291181453.db2.gz CZOVOBPLDQFHFZ-PIGZYNQJSA-N -1 3 361.402 0.260 10 0 FCAEHM O=C([N-]Cc1ccc(C(=O)N2CC(N[C@@H]3CCOC3)C2)o1)C(F)(F)F ZINC001652690357 1291290901 /nfs/dbraw/zinc/29/09/01/1291290901.db2.gz DQTGSVLFKXYGMM-SECBINFHSA-N -1 3 361.320 0.661 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@](C)(Cn2cccn2)C(N)=O)c1 ZINC001653552114 1291353087 /nfs/dbraw/zinc/35/30/87/1291353087.db2.gz HMYCEBSDPRQVIN-KRWDZBQOSA-N -1 3 357.370 0.387 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CCS(=O)(=O)CCO1 ZINC001653854491 1291373959 /nfs/dbraw/zinc/37/39/59/1291373959.db2.gz WZBVMDOJBOQTKS-UHFFFAOYSA-N -1 3 366.399 0.354 10 0 FCAEHM CCS(=O)(=O)NCCCN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC001654883035 1291442627 /nfs/dbraw/zinc/44/26/27/1291442627.db2.gz FTBBHWLPTKHDLN-QWRGUYRKSA-N -1 3 359.414 0.847 10 0 FCAEHM C[C@H](CNC(=O)[C@@H]1CCO[C@H]1C1CC1)NCc1cc(=O)n2[n-]ccc2n1 ZINC001662288484 1291719555 /nfs/dbraw/zinc/71/95/55/1291719555.db2.gz PFJFJDMSHJNQSU-ZLENFMNRSA-N -1 3 359.430 0.432 10 0 FCAEHM COC[C@H](NC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)[C@@H]1CCCOC1 ZINC001676119093 1292194369 /nfs/dbraw/zinc/19/43/69/1292194369.db2.gz UYGMHQUECFMQJE-MCIONIFRSA-N -1 3 365.434 0.502 10 0 FCAEHM O=C(CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn[n-]n1)C2)NC1CCCC1 ZINC001686047656 1292745747 /nfs/dbraw/zinc/74/57/47/1292745747.db2.gz VPUQEQVQYFYYJW-IPYPFGDCSA-N -1 3 374.445 0.505 10 0 FCAEHM CS(=O)(=O)CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1[O-])C2 ZINC001686120372 1292774717 /nfs/dbraw/zinc/77/47/17/1292774717.db2.gz ZXQWXIRTNWYVDU-BNOWGMLFSA-N -1 3 366.439 0.689 10 0 FCAEHM O=C(NCc1noc2c1COCC2)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001687698972 1293002432 /nfs/dbraw/zinc/00/24/32/1293002432.db2.gz YHZPMNMIPLFOST-JTQLQIEISA-N -1 3 360.374 0.321 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N[C@@H]1CCCC2(C1)OCCO2 ZINC001687790188 1293013999 /nfs/dbraw/zinc/01/39/99/1293013999.db2.gz WRRSTIPEVBLWCA-CHWSQXEVSA-N -1 3 363.418 0.746 10 0 FCAEHM Cn1cc([C@@H]2C[C@H]2C(=O)NC[C@@H](NC(=O)c2cnc[n-]c2=O)C2CC2)cn1 ZINC001687972140 1293034871 /nfs/dbraw/zinc/03/48/71/1293034871.db2.gz RHOZKOKIXYTTPM-GZBFAFLISA-N -1 3 370.413 0.344 10 0 FCAEHM O=C([O-])CN1CCCN(C(=O)[C@H]2CSCN2C(=O)C2CCCC2)CC1 ZINC000738612871 836106254 /nfs/dbraw/zinc/10/62/54/836106254.db2.gz UACONTLQDCHEIX-CQSZACIVSA-N -1 3 369.487 0.697 10 0 FCAEHM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]Cc1cccnc1N(C)C ZINC000751004031 836457905 /nfs/dbraw/zinc/45/79/05/836457905.db2.gz KETQCQJSFNYNRP-UHFFFAOYSA-N -1 3 353.404 0.444 10 0 FCAEHM CCNS(=O)(=O)CC[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000804992088 836498692 /nfs/dbraw/zinc/49/86/92/836498692.db2.gz VUNGZZZEAMHZAG-UHFFFAOYSA-N -1 3 361.367 0.318 10 0 FCAEHM CO[C@H]1CN(C(=O)NCCN2CCN(C)C(C)(C)C2)[C@@](C)(C(=O)[O-])C1 ZINC001119640310 847918821 /nfs/dbraw/zinc/91/88/21/847918821.db2.gz JZNPCIFBJAZSIH-CXAGYDPISA-N -1 3 356.467 0.286 10 0 FCAEHM CN1CCn2c(C[N-]C(=O)C(F)(F)c3ccccc3F)nnc2C1=O ZINC001123899450 848652039 /nfs/dbraw/zinc/65/20/39/848652039.db2.gz GSGCEUQDWBFPQB-UHFFFAOYSA-N -1 3 353.304 0.911 10 0 FCAEHM CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2c(C)[n-][nH]c2=O)c1 ZINC001136653745 849232976 /nfs/dbraw/zinc/23/29/76/849232976.db2.gz GGCYTBKELFLFIS-JTQLQIEISA-N -1 3 372.834 0.490 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCCCN(CC)S(C)(=O)=O)c1 ZINC001141990137 849420521 /nfs/dbraw/zinc/42/05/21/849420521.db2.gz PHTWBQZLELBAQT-UHFFFAOYSA-N -1 3 369.443 0.918 10 0 FCAEHM CO[C@@H](C(=O)Nc1[n-]nc2cc(C)n(C)c(=O)c21)C(=O)OC(C)(C)C ZINC001142822049 849462584 /nfs/dbraw/zinc/46/25/84/849462584.db2.gz YOVARAJARKTKJY-NSHDSACASA-N -1 3 350.375 0.865 10 0 FCAEHM CCNS(=O)(=O)c1ccc(C)c(C(=O)NCCCc2c[n-][nH]c2=O)c1 ZINC001149256973 849634549 /nfs/dbraw/zinc/63/45/49/849634549.db2.gz LKSBUVBDMRACJI-GFCCVEGCSA-N -1 3 366.443 0.535 10 0 FCAEHM Cc1nc(CS(C)(=O)=O)sc1CC(=O)NCCCc1c[n-][nH]c1=O ZINC001168402514 850585620 /nfs/dbraw/zinc/58/56/20/850585620.db2.gz CZHGWNASTYTLEP-SNVBAGLBSA-N -1 3 372.472 0.167 10 0 FCAEHM Cc1cc(=O)[n-]c(CN2CCCS(=O)(=O)C[C@H]2c2cnn(C)c2)n1 ZINC001176166213 850783347 /nfs/dbraw/zinc/78/33/47/850783347.db2.gz DPHSEQUUIWGEOW-ZDUSSCGKSA-N -1 3 351.432 0.586 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)[C@H]2COCCN2C2CCCC2)[n-]1 ZINC001183193622 851230798 /nfs/dbraw/zinc/23/07/98/851230798.db2.gz OEZNELUICYOJRI-GFCCVEGCSA-N -1 3 351.407 0.241 10 0 FCAEHM CCOC(=O)c1nc(CNC(=O)[C@H]2COCCN2C2CCCC2)n[n-]1 ZINC001183193622 851230805 /nfs/dbraw/zinc/23/08/05/851230805.db2.gz OEZNELUICYOJRI-GFCCVEGCSA-N -1 3 351.407 0.241 10 0 FCAEHM CCOC(=O)c1n[n-]c(CNC(=O)[C@H]2COCCN2C2CCCC2)n1 ZINC001183193622 851230810 /nfs/dbraw/zinc/23/08/10/851230810.db2.gz OEZNELUICYOJRI-GFCCVEGCSA-N -1 3 351.407 0.241 10 0 FCAEHM COCCc1cc(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)n(C)n1 ZINC001253182571 857869503 /nfs/dbraw/zinc/86/95/03/857869503.db2.gz SAQMMDAXRAOOJD-UHFFFAOYSA-N -1 3 350.350 0.709 10 0 FCAEHM COC(=O)[C@H]([N-]S(=O)(=O)c1cn(C)nc1Br)C1CC1 ZINC001261853768 858685794 /nfs/dbraw/zinc/68/57/94/858685794.db2.gz REXJQKJPAYMQPN-MRVPVSSYSA-N -1 3 352.210 0.413 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2ccccc2[O-])CCN1CCNS(=O)(=O)CC ZINC001264045812 859285896 /nfs/dbraw/zinc/28/58/96/859285896.db2.gz POTURJULXYHEGB-LSDHHAIUSA-N -1 3 369.487 0.914 10 0 FCAEHM C[C@@H](CN1CC[C@H](NC(=O)c2cnc[n-]c2=O)[C@H]1C)CS(C)(=O)=O ZINC001264706723 859430815 /nfs/dbraw/zinc/43/08/15/859430815.db2.gz ORHQTKFBFKUHCB-LOWVWBTDSA-N -1 3 356.448 0.056 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NC[C@H](CO)NC(=O)CCc1c(C)nc[n-]c1=O ZINC001281121787 863490404 /nfs/dbraw/zinc/49/04/04/863490404.db2.gz YOQVKBJEELJJHX-YRGRVCCFSA-N -1 3 350.419 0.063 10 0 FCAEHM CCC[C@@H]1C[C@H]1C(=O)N(C)C[C@H](O)CNC(=O)c1c(C)nc[n-]c1=O ZINC001281270410 863504742 /nfs/dbraw/zinc/50/47/42/863504742.db2.gz JHVABNPZAQFYBE-JHJVBQTASA-N -1 3 350.419 0.476 10 0 FCAEHM CC[C@@H](CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1)C(C)C ZINC001281681464 863621428 /nfs/dbraw/zinc/62/14/28/863621428.db2.gz RGMMKPYBULAVLP-IACUBPJLSA-N -1 3 350.419 0.556 10 0 FCAEHM CCC[C@@](C)(CC)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@@H]1O ZINC001281924786 863959223 /nfs/dbraw/zinc/95/92/23/863959223.db2.gz SMPJJBXYKOFDPO-IIYDPXPESA-N -1 3 350.419 0.700 10 0 FCAEHM CSCC(=O)N1CC[C@H](NC(=O)CCc2c(C)nc[n-]c2=O)[C@H]1C ZINC001282361823 864219885 /nfs/dbraw/zinc/21/98/85/864219885.db2.gz BVCDQXQGTFEZBG-YPMHNXCESA-N -1 3 352.460 0.892 10 0 FCAEHM CCCOCC(=O)NC[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1C ZINC001282466737 864279963 /nfs/dbraw/zinc/27/99/63/864279963.db2.gz ARORBLZNGFTFJD-DGCLKSJQSA-N -1 3 350.419 0.742 10 0 FCAEHM C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1CCNC(=O)c1ccccc1[O-] ZINC001282524414 864324931 /nfs/dbraw/zinc/32/49/31/864324931.db2.gz UWICVPGAJJPIQY-CHWSQXEVSA-N -1 3 368.455 0.651 10 0 FCAEHM C[C@H](CCCNC(=O)[C@H]1OCCO[C@H]1C)NC(=O)c1cnc[n-]c1=O ZINC001287245384 864711114 /nfs/dbraw/zinc/71/11/14/864711114.db2.gz LPNOYOITPGDWIV-MDZLAQPJSA-N -1 3 352.391 0.001 10 0 FCAEHM CO[C@H](C)CCC(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1C ZINC001289281465 865004018 /nfs/dbraw/zinc/00/40/18/865004018.db2.gz WTYRVJNPCGXPTN-NQBHXWOUSA-N -1 3 350.419 0.882 10 0 FCAEHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1C)S(C)(=O)=O ZINC001289344609 865025893 /nfs/dbraw/zinc/02/58/93/865025893.db2.gz DFJWNOGEVWRBJL-NTZNESFSSA-N -1 3 354.428 0.402 10 0 FCAEHM CC[C@@H](C)CCC(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@H](OC)C1 ZINC001289501956 865103275 /nfs/dbraw/zinc/10/32/75/865103275.db2.gz XMSQEXFAMJHKOU-MRVWCRGKSA-N -1 3 350.419 0.964 10 0 FCAEHM CC[C@@H](C(=O)N[C@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])[C@@H]1CC)N(C)C ZINC001290450227 865421089 /nfs/dbraw/zinc/42/10/89/865421089.db2.gz WZMIMHVFCWETLC-XQQFMLRXSA-N -1 3 351.451 0.873 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H](C)S(=O)(=O)c1ccc(F)cc1 ZINC001292968329 865765830 /nfs/dbraw/zinc/76/58/30/865765830.db2.gz NXBOEJVHIDRKOK-MFKMUULPSA-N -1 3 355.391 0.616 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC001292968478 865765884 /nfs/dbraw/zinc/76/58/84/865765884.db2.gz QFYUPGHECFMNGA-SNVBAGLBSA-N -1 3 357.819 0.985 10 0 FCAEHM Cc1nc([N-]C(=O)c2coc(CS(C)(=O)=O)n2)n(-c2ccccc2)n1 ZINC001294355877 865831189 /nfs/dbraw/zinc/83/11/89/865831189.db2.gz ITMWUGLECXKPAY-UHFFFAOYSA-N -1 3 361.383 0.783 10 0 FCAEHM Nc1nnn(CC(=O)Nc2ccc(I)cc2[O-])n1 ZINC001296291223 865955015 /nfs/dbraw/zinc/95/50/15/865955015.db2.gz IOZIWNXGSJQZJV-UHFFFAOYSA-N -1 3 360.115 0.204 10 0 FCAEHM C[C@@]12CCC(=O)N1[C@@H](C(=O)N1CCC(Cc3nnn[n-]3)CC1)CS2 ZINC001349108274 866236457 /nfs/dbraw/zinc/23/64/57/866236457.db2.gz NLNIGEVAJZJKNK-IAQYHMDHSA-N -1 3 350.448 0.435 10 0 FCAEHM C[C@@]12CCC(=O)N1[C@@H](C(=O)N1CCC(Cc3nn[n-]n3)CC1)CS2 ZINC001349108274 866236471 /nfs/dbraw/zinc/23/64/71/866236471.db2.gz NLNIGEVAJZJKNK-IAQYHMDHSA-N -1 3 350.448 0.435 10 0 FCAEHM C[C@@H]1C(=O)N([N-]C(=O)c2ccc(NS(C)(=O)=O)cc2Cl)C(=O)N1C ZINC001301136620 866249521 /nfs/dbraw/zinc/24/95/21/866249521.db2.gz YPZAIWHPEUKWBP-SSDOTTSWSA-N -1 3 374.806 0.639 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCC(CO)(CO)C2)c(Cl)c1 ZINC001301522447 866264803 /nfs/dbraw/zinc/26/48/03/866264803.db2.gz STVQDPCLTBCFAQ-UHFFFAOYSA-N -1 3 362.835 0.528 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCN(CCCCCO)CC2)cn1 ZINC001301751029 866288048 /nfs/dbraw/zinc/28/80/48/866288048.db2.gz FLCBVCHBFJVEKL-UHFFFAOYSA-N -1 3 370.475 0.374 10 0 FCAEHM O=C(c1c[n-]c2cc(F)c(F)cc2c1=O)N1C[C@@H](CO)[C@H](CCO)C1 ZINC001349757772 866433508 /nfs/dbraw/zinc/43/35/08/866433508.db2.gz PPTUBBHXFACQLU-ZJUUUORDSA-N -1 3 352.337 0.869 10 0 FCAEHM CC1(F)CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2ccnnc2)C1 ZINC001349912681 866480015 /nfs/dbraw/zinc/48/00/15/866480015.db2.gz XXPQWMNSQFMKQC-UHFFFAOYSA-N -1 3 366.440 0.372 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-]Cc2nc3ncccn3n2)CCOCC1 ZINC001351373733 866843006 /nfs/dbraw/zinc/84/30/06/866843006.db2.gz JGCASEUUJTWLOZ-UHFFFAOYSA-N -1 3 355.420 0.129 10 0 FCAEHM CN(C)Cc1csc(CNC(=O)C(=O)NCc2ccc([O-])c(F)c2)n1 ZINC001351582026 866909981 /nfs/dbraw/zinc/90/99/81/866909981.db2.gz PLANFSZPEOQWMK-UHFFFAOYSA-N -1 3 366.418 0.982 10 0 FCAEHM O=C([O-])CN1CCC(NS(=O)(=O)CCOCc2ccccc2)CC1 ZINC001352073100 867023417 /nfs/dbraw/zinc/02/34/17/867023417.db2.gz ZBALPGLSDJWUQF-UHFFFAOYSA-N -1 3 356.444 0.672 10 0 FCAEHM Cn1nc(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1C(F)(F)F ZINC001353172961 867367963 /nfs/dbraw/zinc/36/79/63/867367963.db2.gz FLGYKDKRLLHRTQ-MRVPVSSYSA-N -1 3 356.308 0.943 10 0 FCAEHM Cn1ccc(CNC(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)n1 ZINC001319873628 868023493 /nfs/dbraw/zinc/02/34/93/868023493.db2.gz PRGPCGOQBAIHGA-UHFFFAOYSA-N -1 3 355.395 0.930 10 0 FCAEHM COC(=O)NCCc1ccc(S(=O)(=O)[N-]N=c2nccc[nH]2)s1 ZINC001320974202 868332283 /nfs/dbraw/zinc/33/22/83/868332283.db2.gz KFWYPFHXORDFGT-UHFFFAOYSA-N -1 3 357.417 0.742 10 0 FCAEHM COc1c(F)cc(CC(=O)[N-]OC[C@H]2CCOC2)cc1S(N)(=O)=O ZINC001321782064 868610765 /nfs/dbraw/zinc/61/07/65/868610765.db2.gz JKKQPZVDPBSMFW-VIFPVBQESA-N -1 3 362.379 0.109 10 0 FCAEHM CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)[C@H]1CCNC(=O)CC1 ZINC001324532002 869610969 /nfs/dbraw/zinc/61/09/69/869610969.db2.gz JHVXWTAVBRZKHV-SNVBAGLBSA-N -1 3 357.407 0.730 10 0 FCAEHM COC1(CS(=O)(=O)[N-][C@@H]2CCO[C@@H]2c2nc(C)no2)CCOCC1 ZINC001328835834 871656131 /nfs/dbraw/zinc/65/61/31/871656131.db2.gz YQECKPBFCYEWES-NEPJUHHUSA-N -1 3 361.420 0.323 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-][C@H]2CCNC(=O)CC2)c1Br ZINC001329419210 872014215 /nfs/dbraw/zinc/01/42/15/872014215.db2.gz GPWLUHHGEVOXOI-SSDOTTSWSA-N -1 3 351.226 0.130 10 0 FCAEHM COCCCn1nc(C(=O)NCc2nc(C(F)(F)F)n[n-]2)ccc1=O ZINC001347915594 872529972 /nfs/dbraw/zinc/52/99/72/872529972.db2.gz BNRHQSSGHURUMK-UHFFFAOYSA-N -1 3 360.296 0.347 10 0 FCAEHM CN(C)CCCS(=O)(=O)N1C[C@@H](c2cnn(C)c2)C[C@H](C(=O)[O-])C1 ZINC001330273423 872550991 /nfs/dbraw/zinc/55/09/91/872550991.db2.gz CYMKJNBOXQGCLH-STQMWFEESA-N -1 3 358.464 0.192 10 0 FCAEHM COC(=O)[C@]1(N2CCN(CCC[N-]C(=O)C(F)(F)F)CC2)CCOC1 ZINC001348188027 872621965 /nfs/dbraw/zinc/62/19/65/872621965.db2.gz HSNUCIRLFZSGEM-AWEZNQCLSA-N -1 3 367.368 0.005 10 0 FCAEHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1 ZINC001332493778 873529383 /nfs/dbraw/zinc/52/93/83/873529383.db2.gz LRFHWBIJYLKETK-INIZCTEOSA-N -1 3 368.411 0.380 10 0 FCAEHM CCc1noc(C)c1C[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000292789603 214123900 /nfs/dbraw/zinc/12/39/00/214123900.db2.gz LJASRLYQPJMIOP-UHFFFAOYSA-N -1 3 359.429 0.822 10 0 FCAEHM CCNC(=O)[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F)C(C)C ZINC000293782120 214200504 /nfs/dbraw/zinc/20/05/04/214200504.db2.gz AAXNFQHMODMRHX-FZMZJTMJSA-N -1 3 373.450 0.769 10 0 FCAEHM CCN1CC[C@H]2OCCN(C(=O)c3c[nH]c4nc(=O)[n-]c(=O)c-4c3)[C@H]2C1 ZINC000293936696 214212410 /nfs/dbraw/zinc/21/24/10/214212410.db2.gz QGGXVWZRIJNISY-QWHCGFSZSA-N -1 3 359.386 0.371 10 0 FCAEHM O=C([C@@H]1CCCN(c2ccccc2)C1=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000294467064 214247311 /nfs/dbraw/zinc/24/73/11/214247311.db2.gz ZGPUHMHQWQFTOO-IFXJQAMLSA-N -1 3 370.409 0.630 10 0 FCAEHM O=C([C@@H]1CCCN(c2ccccc2)C1=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000294467068 214247108 /nfs/dbraw/zinc/24/71/08/214247108.db2.gz ZGPUHMHQWQFTOO-LIRRHRJNSA-N -1 3 370.409 0.630 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCN1CCC(O)CC1 ZINC000296986083 214374344 /nfs/dbraw/zinc/37/43/44/214374344.db2.gz PNGPFDOWSZOHKJ-LBPRGKRZSA-N -1 3 373.450 0.065 10 0 FCAEHM COC[C@](C)([N-]S(=O)(=O)c1cnccc1C(F)(F)F)C(=O)OC ZINC000442743729 536637977 /nfs/dbraw/zinc/63/79/77/536637977.db2.gz CGYVNKWYMBMUKW-NSHDSACASA-N -1 3 356.322 0.957 10 0 FCAEHM CC(=O)Nc1ccc([O-])c(C(=O)NCC(C)(C)N2CCS(=O)CC2)c1 ZINC000265888102 210243189 /nfs/dbraw/zinc/24/31/89/210243189.db2.gz DPISHRJOONOURJ-UHFFFAOYSA-N -1 3 367.471 0.923 10 0 FCAEHM CCCCS(=O)(=O)Nc1ccc(NC(=O)CN2CC(=O)[N-]C2=O)cc1 ZINC000265875863 210239930 /nfs/dbraw/zinc/23/99/30/210239930.db2.gz KQWJDLGINBGJQD-UHFFFAOYSA-N -1 3 368.415 0.719 10 0 FCAEHM C[C@@H]1CN(C(=O)CN2CC(=O)[N-]C2=O)CC[C@H]1NC(=O)OC(C)(C)C ZINC000265859824 210235748 /nfs/dbraw/zinc/23/57/48/210235748.db2.gz HHLSYZXVVNTQKE-GHMZBOCLSA-N -1 3 354.407 0.300 10 0 FCAEHM CN1C[C@@H](NC(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)CCC1=O ZINC000265711997 210204557 /nfs/dbraw/zinc/20/45/57/210204557.db2.gz HLWDJKYKNMVSRN-NSHDSACASA-N -1 3 356.382 0.407 10 0 FCAEHM Cc1cc(C[C@H](C)NC(=O)C[N-]S(=O)(=O)c2c(C)noc2C)[nH]n1 ZINC000290896301 214001945 /nfs/dbraw/zinc/00/19/45/214001945.db2.gz CSTBJEFNGXAKAR-QMMMGPOBSA-N -1 3 355.420 0.349 10 0 FCAEHM CN1C[C@@H](NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)CCC1=O ZINC000265671424 210194376 /nfs/dbraw/zinc/19/43/76/210194376.db2.gz DSLLDWSOPIHEQE-ZDUSSCGKSA-N -1 3 360.414 0.480 10 0 FCAEHM COC(=O)Cc1n[n-]c(NC(=O)[C@@H]2CSCN2C(=O)C2CCCC2)n1 ZINC000265674355 210193969 /nfs/dbraw/zinc/19/39/69/210193969.db2.gz RTVZJOSGMJQCBR-JTQLQIEISA-N -1 3 367.431 0.550 10 0 FCAEHM COC(=O)Cc1nnc(NC(=O)[C@@H]2CSCN2C(=O)C2CCCC2)[n-]1 ZINC000265674355 210193970 /nfs/dbraw/zinc/19/39/70/210193970.db2.gz RTVZJOSGMJQCBR-JTQLQIEISA-N -1 3 367.431 0.550 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)[C@@H]2CSCN2C(=O)C2CCCC2)n[n-]1 ZINC000265674355 210193974 /nfs/dbraw/zinc/19/39/74/210193974.db2.gz RTVZJOSGMJQCBR-JTQLQIEISA-N -1 3 367.431 0.550 10 0 FCAEHM CC[C@](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)(C(=O)OC)c1ccc(Cl)cc1 ZINC000287695447 213637865 /nfs/dbraw/zinc/63/78/65/213637865.db2.gz DDQBHMVXIHTECO-MEDUHNTESA-N -1 3 367.789 0.833 10 0 FCAEHM C[C@@H](CS(C)(=O)=O)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000264963936 210026709 /nfs/dbraw/zinc/02/67/09/210026709.db2.gz OIDZJVFCZIGVSE-UWVGGRQHSA-N -1 3 366.436 0.042 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000264936689 210018530 /nfs/dbraw/zinc/01/85/30/210018530.db2.gz PFTRPQVVUCDUDJ-SNVBAGLBSA-N -1 3 350.762 0.113 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000333117975 215238103 /nfs/dbraw/zinc/23/81/03/215238103.db2.gz ZGMVGYVVEWOQFT-SQNXGDPESA-N -1 3 357.432 0.642 10 0 FCAEHM COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)CN1CC(=O)[N-]C1=O ZINC000264605024 209922238 /nfs/dbraw/zinc/92/22/38/209922238.db2.gz FYAZDSZAAVPSSA-AWEZNQCLSA-N -1 3 361.398 0.755 10 0 FCAEHM CN(CC(=O)[O-])[C@@H]1CN(C(=O)[C@@H]2C[C@]23CCOc2ccccc23)C[C@H]1O ZINC000333312258 215262403 /nfs/dbraw/zinc/26/24/03/215262403.db2.gz VMHWJYLEQJODOS-HRLGVUPISA-N -1 3 360.410 0.315 10 0 FCAEHM Cc1c(C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)cccc1N1CCNC1=O ZINC000333340240 215266831 /nfs/dbraw/zinc/26/68/31/215266831.db2.gz SQTPVVXWRUTORM-GOSISDBHSA-N -1 3 371.397 0.339 10 0 FCAEHM O=C(C[C@@H]1Sc2ccccc2NC1=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000333337144 215267337 /nfs/dbraw/zinc/26/73/37/215267337.db2.gz SAIBDVPRXQVIAL-SJCJKPOMSA-N -1 3 374.422 0.690 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CO)C[C@H](O)C(C)(C)C)c(C)o1 ZINC000285680027 213376190 /nfs/dbraw/zinc/37/61/90/213376190.db2.gz BKXNNMYRFNJUEX-JQWIXIFHSA-N -1 3 362.448 0.384 10 0 FCAEHM C[C@@H](CCS(C)(=O)=O)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000361256927 215386260 /nfs/dbraw/zinc/38/62/60/215386260.db2.gz FYIVJVAIXIGNCE-GXTWGEPZSA-N -1 3 368.455 0.936 10 0 FCAEHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](C)Cn2cncn2)c1 ZINC000285360551 213330394 /nfs/dbraw/zinc/33/03/94/213330394.db2.gz ZZDUDLKVZIHCSH-JTQLQIEISA-N -1 3 356.379 0.961 10 0 FCAEHM CN1CCO[C@@H]2CCN(C(=O)CCn3[n-]c(=O)c4ccccc4c3=O)C[C@H]21 ZINC000284620815 213181789 /nfs/dbraw/zinc/18/17/89/213181789.db2.gz UPVAEOMEKKACMU-HZPDHXFCSA-N -1 3 372.425 0.011 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCN(C(=O)[C@H]2CCc3n[nH]nc3C2)CC1 ZINC000283759905 213004950 /nfs/dbraw/zinc/00/49/50/213004950.db2.gz PVYFOTGVBIGRPE-LBPRGKRZSA-N -1 3 355.398 0.600 10 0 FCAEHM CCS(=O)(=O)CCCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000412862438 237247101 /nfs/dbraw/zinc/24/71/01/237247101.db2.gz GGEPHUGNESNHQU-AWEZNQCLSA-N -1 3 368.455 0.938 10 0 FCAEHM CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)CC1 ZINC000367195832 216089775 /nfs/dbraw/zinc/08/97/75/216089775.db2.gz LGVQYMVRNKBJGP-LSDHHAIUSA-N -1 3 364.446 0.614 10 0 FCAEHM COC[C@@H](CO)NC(=O)c1c(C)oc2[n-]c(=O)n(-c3ccccc3)c(=O)c21 ZINC000280890870 212678318 /nfs/dbraw/zinc/67/83/18/212678318.db2.gz OYGBBDBTSULHQS-LLVKDONJSA-N -1 3 373.365 0.730 10 0 FCAEHM C[C@@]1(c2ccc(C(=O)N3CCNC[C@@H]3C(F)F)cc2)NC(=O)[N-]C1=O ZINC000367997576 216190811 /nfs/dbraw/zinc/19/08/11/216190811.db2.gz MSHMGTYEFDTPIR-BZNIZROVSA-N -1 3 352.341 0.420 10 0 FCAEHM C[C@H]1C(=O)Nc2cc(C(=O)N3CCC[C@]4(C3)NC(=O)[N-]C4=O)ccc2N1C ZINC000279582584 212566888 /nfs/dbraw/zinc/56/68/88/212566888.db2.gz UMYNSMUUSRIFBQ-XTZNXHDOSA-N -1 3 371.397 0.278 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CC[C@H](CC(N)=O)C1 ZINC000368558061 216263961 /nfs/dbraw/zinc/26/39/61/216263961.db2.gz SJWYXSZZXHTKDG-WDEREUQCSA-N -1 3 357.407 0.216 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CC[C@@H](CC(N)=O)C1 ZINC000368558059 216264337 /nfs/dbraw/zinc/26/43/37/216264337.db2.gz SJWYXSZZXHTKDG-QWRGUYRKSA-N -1 3 357.407 0.216 10 0 FCAEHM C[C@@H](C(=O)N1CCc2sccc2C1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000192644886 209302300 /nfs/dbraw/zinc/30/23/00/209302300.db2.gz FKYMSANSSRXUKK-APPDUMDISA-N -1 3 362.455 0.695 10 0 FCAEHM O=C1[N-]C(=O)[C@]2(CCCN([C@H]3CCCN(c4cccc(F)c4)C3=O)C2)N1 ZINC000192665943 209302180 /nfs/dbraw/zinc/30/21/80/209302180.db2.gz XSDOPMBERIPAAO-KBXCAEBGSA-N -1 3 360.389 0.995 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000369230745 216367741 /nfs/dbraw/zinc/36/77/41/216367741.db2.gz JFQAGJMUFXURSO-UHFFFAOYSA-N -1 3 370.409 0.366 10 0 FCAEHM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-][C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000278625085 212474136 /nfs/dbraw/zinc/47/41/36/212474136.db2.gz GGRBYBVLNNLABR-BXUZGUMPSA-N -1 3 371.434 0.323 10 0 FCAEHM CCn1nccc1N1CCC[C@@H]([N-]S(=O)(=O)N2CCC[C@@H]2C)C1=O ZINC000189159815 209247246 /nfs/dbraw/zinc/24/72/46/209247246.db2.gz NZSXPFLKLATQBY-QWHCGFSZSA-N -1 3 355.464 0.717 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCc3cc[nH]c(=O)c3C2)c(C)o1 ZINC000277225668 212341974 /nfs/dbraw/zinc/34/19/74/212341974.db2.gz JHLJBYCCQQRDJX-UHFFFAOYSA-N -1 3 351.384 0.795 10 0 FCAEHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]C(C)(C)[C@H](O)C(=O)OC ZINC000276876024 212300990 /nfs/dbraw/zinc/30/09/90/212300990.db2.gz BNXZDJGUCUXHRC-LLVKDONJSA-N -1 3 363.363 0.203 10 0 FCAEHM C[C@@H](C[S@@](C)=O)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000182776621 209136921 /nfs/dbraw/zinc/13/69/21/209136921.db2.gz JNPAWCMWUKSSKN-SWHJWPDWSA-N -1 3 350.437 0.376 10 0 FCAEHM Cc1cc(C)c(N2CC[C@@H](NC(=O)CN3CC(=O)[N-]C3=O)C2=O)c(C)c1 ZINC000276559224 212255537 /nfs/dbraw/zinc/25/55/37/212255537.db2.gz HHYDWPDGNOHQFY-CYBMUJFWSA-N -1 3 358.398 0.385 10 0 FCAEHM CCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccc(CCNC(=O)OC)s1 ZINC000276451269 212236961 /nfs/dbraw/zinc/23/69/61/212236961.db2.gz GXAJLGKPJRSBBF-SECBINFHSA-N -1 3 363.461 0.450 10 0 FCAEHM COc1ccccc1[C@@H](NC(=O)CN1CC(=O)[N-]C1=O)c1ccccn1 ZINC000371179875 216693785 /nfs/dbraw/zinc/69/37/85/216693785.db2.gz YUZVZXJWPJLFSW-QGZVFWFLSA-N -1 3 354.366 0.848 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)OC)cn1 ZINC000276271770 212201646 /nfs/dbraw/zinc/20/16/46/212201646.db2.gz QHCCTVIQJMRTSX-SCRDCRAPSA-N -1 3 367.427 0.403 10 0 FCAEHM COC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H](C)[C@H](C)CO)s1 ZINC000276198143 212183036 /nfs/dbraw/zinc/18/30/36/212183036.db2.gz IHODITHZTKSMCH-NXEZZACHSA-N -1 3 350.462 0.942 10 0 FCAEHM C[C@@H](CO)[C@H](C)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000275716709 212079352 /nfs/dbraw/zinc/07/93/52/212079352.db2.gz HRIWBSHRTXBLAX-QWRGUYRKSA-N -1 3 350.462 0.232 10 0 FCAEHM CCc1n[n-]c(S(=O)(=O)Cc2ccc(S(=O)(=O)N(C)C)s2)n1 ZINC000424203888 247178550 /nfs/dbraw/zinc/17/85/50/247178550.db2.gz JSKONUZOPFOXFE-UHFFFAOYSA-N -1 3 364.474 0.653 10 0 FCAEHM CCc1nnc(S(=O)(=O)Cc2ccc(S(=O)(=O)N(C)C)s2)[n-]1 ZINC000424203888 247178553 /nfs/dbraw/zinc/17/85/53/247178553.db2.gz JSKONUZOPFOXFE-UHFFFAOYSA-N -1 3 364.474 0.653 10 0 FCAEHM CC(C)C[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1)C(=O)[O-] ZINC000424478674 247232033 /nfs/dbraw/zinc/23/20/33/247232033.db2.gz GPICXBOSYQYIRR-LSDHHAIUSA-N -1 3 353.463 0.936 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-]CC(=O)NCc2ccco2)oc1C ZINC000431815316 247785602 /nfs/dbraw/zinc/78/56/02/247785602.db2.gz RKAVNGOLMLBGRI-UHFFFAOYSA-N -1 3 356.356 0.562 10 0 FCAEHM Cc1nc([C@@](C)([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)C2CC2)no1 ZINC000432269901 247804342 /nfs/dbraw/zinc/80/43/42/247804342.db2.gz JQQITFJQKQKZCO-AWEZNQCLSA-N -1 3 353.404 0.419 10 0 FCAEHM COC(=O)[C@@](C)(O)CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436674701 248046750 /nfs/dbraw/zinc/04/67/50/248046750.db2.gz ISTSLSDZVBTXKD-PXAZEXFGSA-N -1 3 350.371 0.037 10 0 FCAEHM C[C@@H]1CCCN1S(=O)(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436884157 248052638 /nfs/dbraw/zinc/05/26/38/248052638.db2.gz KEUQVXDFTNZJCY-CYBMUJFWSA-N -1 3 353.444 0.879 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c([O-])c1 ZINC000436960891 248054963 /nfs/dbraw/zinc/05/49/63/248054963.db2.gz FSKUGHDXQSYVMU-UMVBOHGHSA-N -1 3 359.426 0.946 10 0 FCAEHM O=C(N[C@H]1CCCS(=O)(=O)C1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000439061399 248108906 /nfs/dbraw/zinc/10/89/06/248108906.db2.gz TVDZWOKFNVCETL-JSGCOSHPSA-N -1 3 366.439 0.690 10 0 FCAEHM COCCNC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)[C@@H]1CCO[C@@H]1C ZINC000442755103 248295571 /nfs/dbraw/zinc/29/55/71/248295571.db2.gz BTSWUZANLZGNBU-VNQPRFMTSA-N -1 3 370.471 0.457 10 0 FCAEHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000443111963 248307634 /nfs/dbraw/zinc/30/76/34/248307634.db2.gz QGIFQUKYQJFDIB-NXEZZACHSA-N -1 3 358.391 0.935 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]C[C@H](CO)Cc2ccc(OC)c(O)c2)c1 ZINC000443257228 248316822 /nfs/dbraw/zinc/31/68/22/248316822.db2.gz YCGBMIQQFDNMDZ-CYBMUJFWSA-N -1 3 369.443 0.747 10 0 FCAEHM CCc1ccc(NC(=O)C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)cc1CC ZINC000442035357 248271972 /nfs/dbraw/zinc/27/19/72/248271972.db2.gz RKARDAFRYACIKW-AWEZNQCLSA-N -1 3 358.398 0.513 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)[C@@H](O)C1CCC1 ZINC000450313407 248476657 /nfs/dbraw/zinc/47/66/57/248476657.db2.gz QVDHLNUARACXNU-NSHDSACASA-N -1 3 352.865 0.957 10 0 FCAEHM Cc1cccc([C@@H](CC(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)NC(N)=O)c1 ZINC000447760719 248426937 /nfs/dbraw/zinc/42/69/37/248426937.db2.gz PDVTWUPAMQFTMS-ACJLOTCBSA-N -1 3 373.413 0.295 10 0 FCAEHM CCN1C[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)CC1=O ZINC000452958290 249338552 /nfs/dbraw/zinc/33/85/52/249338552.db2.gz QKPZIQUHCMZOPN-QWRGUYRKSA-N -1 3 357.407 0.230 10 0 FCAEHM CC(C)C[C@H](NC(=O)CN1CC(=O)[N-]C1=O)C(=O)Nc1nccs1 ZINC000271315685 211377419 /nfs/dbraw/zinc/37/74/19/211377419.db2.gz XUTUUKZGYHSDPM-VIFPVBQESA-N -1 3 353.404 0.164 10 0 FCAEHM COc1nnc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)[n-]1 ZINC000271337622 211382053 /nfs/dbraw/zinc/38/20/53/211382053.db2.gz ZUDKBQPUHQLJDH-INIZCTEOSA-N -1 3 374.357 0.228 10 0 FCAEHM COc1nc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)n[n-]1 ZINC000271337622 211382059 /nfs/dbraw/zinc/38/20/59/211382059.db2.gz ZUDKBQPUHQLJDH-INIZCTEOSA-N -1 3 374.357 0.228 10 0 FCAEHM COc1n[n-]c(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)n1 ZINC000271337622 211382062 /nfs/dbraw/zinc/38/20/62/211382062.db2.gz ZUDKBQPUHQLJDH-INIZCTEOSA-N -1 3 374.357 0.228 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC[C@@H](C)O)cc1F ZINC000271241295 211361278 /nfs/dbraw/zinc/36/12/78/211361278.db2.gz YUBXXLVJMWIWQA-SECBINFHSA-N -1 3 354.425 0.637 10 0 FCAEHM NC(=O)N[C@@H]1CCN(Cc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)C1 ZINC000270753236 211260636 /nfs/dbraw/zinc/26/06/36/211260636.db2.gz OWEYDYBINSYOCF-LLVKDONJSA-N -1 3 353.386 0.764 10 0 FCAEHM COc1ccc([C@@H](CNC(=O)C[C@@H]2NC(=O)[N-]C2=O)N2CCCCC2)cc1 ZINC000270608139 211233282 /nfs/dbraw/zinc/23/32/82/211233282.db2.gz NOJOGTULEFGTJA-JKSUJKDBSA-N -1 3 374.441 0.937 10 0 FCAEHM CCCS(=O)(=O)Nc1cccc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)c1 ZINC000270592041 211230591 /nfs/dbraw/zinc/23/05/91/211230591.db2.gz MGGJOTAXJFKEBX-NSHDSACASA-N -1 3 354.388 0.375 10 0 FCAEHM CCOC(=O)c1ccc(N2C(=O)C[C@@H](SC[C@@H](N)C(=O)[O-])C2=O)cc1 ZINC000016900500 211172382 /nfs/dbraw/zinc/17/23/82/211172382.db2.gz LNGUHBHQYDUDEL-VXGBXAGGSA-N -1 3 366.395 0.640 10 0 FCAEHM CC(C)[C@H]([N-]S(=O)(=O)CCCS(C)(=O)=O)C(=O)OC(C)(C)C ZINC000470611421 250053072 /nfs/dbraw/zinc/05/30/72/250053072.db2.gz IOOMIWXDYWVNAQ-NSHDSACASA-N -1 3 357.494 0.707 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1C[C@@H](C)O[C@@H](CO)C1 ZINC000470928766 250077472 /nfs/dbraw/zinc/07/74/72/250077472.db2.gz HARIBJMPPRUYFB-GHMZBOCLSA-N -1 3 370.427 0.780 10 0 FCAEHM Cc1ccc(S(=O)(=O)NCCNC(=O)NCc2ncccc2[O-])cc1 ZINC000471586174 250107030 /nfs/dbraw/zinc/10/70/30/250107030.db2.gz BOOSDHCJAALENY-UHFFFAOYSA-N -1 3 364.427 0.873 10 0 FCAEHM COc1cc(CNC(=O)NCc2ncccc2[O-])ccc1OCC(N)=O ZINC000471664303 250112984 /nfs/dbraw/zinc/11/29/84/250112984.db2.gz UVOGFSKINOPWKV-UHFFFAOYSA-N -1 3 360.370 0.659 10 0 FCAEHM CN(CCCCO)C(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000472989043 250191861 /nfs/dbraw/zinc/19/18/61/250191861.db2.gz ISRASSBPUARUQF-UHFFFAOYSA-N -1 3 350.387 0.864 10 0 FCAEHM COC(=O)CCOc1ccc(NC(=O)C(=O)NCc2ncccc2[O-])cc1 ZINC000473057546 250196503 /nfs/dbraw/zinc/19/65/03/250196503.db2.gz MPACHWYEMFSLGC-UHFFFAOYSA-N -1 3 373.365 0.984 10 0 FCAEHM Cc1cc(NC(=O)C(=O)NCc2ncccc2[O-])n(-c2ccc(C)nn2)n1 ZINC000473063682 250196930 /nfs/dbraw/zinc/19/69/30/250196930.db2.gz VOVVKUFDAAMKPZ-UHFFFAOYSA-N -1 3 367.369 0.635 10 0 FCAEHM COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NCc1ncccc1[O-] ZINC000473057729 250197865 /nfs/dbraw/zinc/19/78/65/250197865.db2.gz HUVLFDOEJMNHOK-UHFFFAOYSA-N -1 3 372.381 0.753 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]Cc2ccc(S(=O)(=O)NC)s2)c1 ZINC000474067525 250267712 /nfs/dbraw/zinc/26/77/12/250267712.db2.gz SNZVWOTURKWQDR-UHFFFAOYSA-N -1 3 364.474 0.351 10 0 FCAEHM CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCc2ncccc2[O-])cc1 ZINC000480736829 250280473 /nfs/dbraw/zinc/28/04/73/250280473.db2.gz UYHRKOGSORGYDM-UHFFFAOYSA-N -1 3 371.440 0.516 10 0 FCAEHM O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000473928001 250257070 /nfs/dbraw/zinc/25/70/70/250257070.db2.gz LNZKUXWGRFZNDR-OKILXGFUSA-N -1 3 368.397 0.904 10 0 FCAEHM O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000473928001 250257075 /nfs/dbraw/zinc/25/70/75/250257075.db2.gz LNZKUXWGRFZNDR-OKILXGFUSA-N -1 3 368.397 0.904 10 0 FCAEHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCN(C3CCOCC3)C2=O)c(F)c1 ZINC000481025664 250309163 /nfs/dbraw/zinc/30/91/63/250309163.db2.gz QZBXPCLMMPGCDS-CQSZACIVSA-N -1 3 372.418 0.893 10 0 FCAEHM C[C@@H](CC[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)[S@@](C)=O ZINC000481083386 250312818 /nfs/dbraw/zinc/31/28/18/250312818.db2.gz TVNKLSXOTXFFJS-APBUJDDRSA-N -1 3 353.487 0.526 10 0 FCAEHM COCCn1cc(S(=O)(=O)[N-]Cc2cn(C)nc2C(F)(F)F)cn1 ZINC000269740370 211062234 /nfs/dbraw/zinc/06/22/34/211062234.db2.gz VIKRQPZGBHORIC-UHFFFAOYSA-N -1 3 367.353 0.760 10 0 FCAEHM O=C1CCc2cc(S(=O)(=O)[N-]C[C@H](O)C(F)(F)F)c(F)cc2N1 ZINC000269716190 211053012 /nfs/dbraw/zinc/05/30/12/211053012.db2.gz OPYUVJFJCZWTMX-JTQLQIEISA-N -1 3 356.297 0.912 10 0 FCAEHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]C[C@H](O)C(F)(F)F)s1 ZINC000269707702 211051758 /nfs/dbraw/zinc/05/17/58/211051758.db2.gz MRMWTEYXQZPPQS-VIFPVBQESA-N -1 3 360.379 0.628 10 0 FCAEHM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-][C@H]2CCCOC2)c1 ZINC000269682300 211043969 /nfs/dbraw/zinc/04/39/69/211043969.db2.gz SVXXYMYUVFWYQB-NSHDSACASA-N -1 3 357.384 0.717 10 0 FCAEHM CNC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000498511776 250646020 /nfs/dbraw/zinc/64/60/20/250646020.db2.gz XDVBHHZIBWOLQB-GVXVVHGQSA-N -1 3 371.434 0.523 10 0 FCAEHM CC(=O)N1CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)[C@H](C)C1 ZINC000268738184 210856347 /nfs/dbraw/zinc/85/63/47/210856347.db2.gz LXSNJFDMSFBTSE-NEPJUHHUSA-N -1 3 371.434 0.572 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)C(=O)N(C)C)cn1C ZINC000067404752 208021864 /nfs/dbraw/zinc/02/18/64/208021864.db2.gz AVFGTVUUDCAMGJ-AWEZNQCLSA-N -1 3 350.444 0.706 10 0 FCAEHM COC(=O)[C@@H]1CSCCN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC000413457782 533028863 /nfs/dbraw/zinc/02/88/63/533028863.db2.gz LPTZHARVJMVZQN-ZETCQYMHSA-N -1 3 367.353 0.871 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC(n3cncn3)CC2)ccc1F ZINC000084186097 208108540 /nfs/dbraw/zinc/10/85/40/208108540.db2.gz ZHSGQLHEYJWOEH-UHFFFAOYSA-N -1 3 367.406 0.803 10 0 FCAEHM COC(=O)[C@@H]1CSCCN(C(=O)NCc2nnc(C(F)(F)F)[n-]2)C1 ZINC000413457782 533028854 /nfs/dbraw/zinc/02/88/54/533028854.db2.gz LPTZHARVJMVZQN-ZETCQYMHSA-N -1 3 367.353 0.871 10 0 FCAEHM COC(=O)[C@@H]1CSCCN(C(=O)NCc2n[n-]c(C(F)(F)F)n2)C1 ZINC000413457782 533028859 /nfs/dbraw/zinc/02/88/59/533028859.db2.gz LPTZHARVJMVZQN-ZETCQYMHSA-N -1 3 367.353 0.871 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCc1cnn(C)c1 ZINC000120160366 208375905 /nfs/dbraw/zinc/37/59/05/208375905.db2.gz UWWNBSQUCNWLSU-NSHDSACASA-N -1 3 354.407 0.585 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCn2cnnc2C1 ZINC000266684710 210381568 /nfs/dbraw/zinc/38/15/68/210381568.db2.gz UFUUZMBKGLICPT-UHFFFAOYSA-N -1 3 363.399 0.806 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC[C@H](C(F)(F)F)C2)c1 ZINC000176441753 209004200 /nfs/dbraw/zinc/00/42/00/209004200.db2.gz IIPSXUJKDZCFOS-VIFPVBQESA-N -1 3 354.354 0.499 10 0 FCAEHM CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000409820508 533403585 /nfs/dbraw/zinc/40/35/85/533403585.db2.gz POYGJGCDMBHDKD-CABZTGNLSA-N -1 3 351.425 0.217 10 0 FCAEHM CS(=O)(=O)NC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000409795011 533407033 /nfs/dbraw/zinc/40/70/33/533407033.db2.gz QFBDLCQJASJYMQ-SKDRFNHKSA-N -1 3 367.880 0.731 10 0 FCAEHM CS(=O)(=O)NC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000409795004 533408312 /nfs/dbraw/zinc/40/83/12/533408312.db2.gz QFBDLCQJASJYMQ-BXKDBHETSA-N -1 3 367.880 0.731 10 0 FCAEHM CS(=O)(=O)NC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000409795276 533409194 /nfs/dbraw/zinc/40/91/94/533409194.db2.gz HWAYTHPMVPETGH-NOZJJQNGSA-N -1 3 368.427 0.961 10 0 FCAEHM Cc1cc(N2CCC[C@H]([N-]S(=O)(=O)CC[C@H]3CCCO3)C2=O)n(C)n1 ZINC000097015034 222150845 /nfs/dbraw/zinc/15/08/45/222150845.db2.gz FEFAXWWICQBILM-KGLIPLIRSA-N -1 3 370.475 0.712 10 0 FCAEHM Cn1cc(OCC(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)cn1 ZINC000409955478 230053479 /nfs/dbraw/zinc/05/34/79/230053479.db2.gz CQDAAJBGSOUFQO-UHFFFAOYSA-N -1 3 374.369 0.172 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CF)C(=O)OC)cc(F)c1F ZINC000287394606 488865747 /nfs/dbraw/zinc/86/57/47/488865747.db2.gz KGCJVOKHBCMJJV-VIFPVBQESA-N -1 3 355.290 0.541 10 0 FCAEHM O=C(Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1)C1(N2CCOCC2)CCC1 ZINC000363669166 488871331 /nfs/dbraw/zinc/87/13/31/488871331.db2.gz CTWBTFJDGHLYHQ-OAHLLOKOSA-N -1 3 372.425 0.631 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)N[C@H](C)Cn2cncn2)ccc1F ZINC000287517368 488877033 /nfs/dbraw/zinc/87/70/33/488877033.db2.gz MMERFXIWJNJIIT-SECBINFHSA-N -1 3 356.383 0.536 10 0 FCAEHM COC(=O)[C@H](CF)[N-]S(=O)(=O)c1ccc(CCNC(C)=O)s1 ZINC000287482501 488873983 /nfs/dbraw/zinc/87/39/83/488873983.db2.gz QMMCRNHKCNDLKW-JTQLQIEISA-N -1 3 352.409 0.216 10 0 FCAEHM CCOC(=O)c1cnc(NC(=O)c2cc(S(=O)(=O)[N-]C)oc2C)n1C ZINC000278679963 488888967 /nfs/dbraw/zinc/88/89/67/488888967.db2.gz QMJCSYRFLDDRKH-UHFFFAOYSA-N -1 3 370.387 0.659 10 0 FCAEHM COc1cc(C)cc(C)c1S(=O)(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000278745002 488893750 /nfs/dbraw/zinc/89/37/50/488893750.db2.gz NAQDOOPCDNOLOP-INIZCTEOSA-N -1 3 367.427 0.675 10 0 FCAEHM COC(=O)[C@@H](O)C(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000278878923 488902261 /nfs/dbraw/zinc/90/22/61/488902261.db2.gz VZQKDLNJUDCKHK-LLVKDONJSA-N -1 3 351.808 0.939 10 0 FCAEHM COc1ccccc1CN(C)C(=O)CN1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000278995769 488909330 /nfs/dbraw/zinc/90/93/30/488909330.db2.gz CBRIMVLQYMJJRM-GOSISDBHSA-N -1 3 360.414 0.328 10 0 FCAEHM Cc1ccc(NC(=O)NC(=O)CN2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1C ZINC000279065138 488914748 /nfs/dbraw/zinc/91/47/48/488914748.db2.gz MADGMFCHAJOYTO-SFHVURJKSA-N -1 3 373.413 0.626 10 0 FCAEHM O=C1[N-]C(=O)[C@@]2(CCCN(CCS(=O)(=O)c3ccc(F)cc3)C2)N1 ZINC000279091828 488916677 /nfs/dbraw/zinc/91/66/77/488916677.db2.gz NRAYXGQZSPEDSH-HNNXBMFYSA-N -1 3 355.391 0.273 10 0 FCAEHM Cc1n[nH]c(C)c1[N-]S(=O)(=O)CCCS(=O)(=O)N1C[C@@H](C)[C@H]1C ZINC000349475485 489294337 /nfs/dbraw/zinc/29/43/37/489294337.db2.gz FNFZIUYVLLMEQQ-BXKDBHETSA-N -1 3 364.493 0.828 10 0 FCAEHM O=C(Cn1ccc2ccccc2c1=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279292778 488930359 /nfs/dbraw/zinc/93/03/59/488930359.db2.gz YDOXZJLFYAVODB-SFHVURJKSA-N -1 3 354.366 0.202 10 0 FCAEHM O=C([C@H]1CC(=O)Nc2cc(F)ccc21)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279463112 488944030 /nfs/dbraw/zinc/94/40/30/488944030.db2.gz LGNPDBBFBGMBOF-GTNSWQLSSA-N -1 3 360.345 0.452 10 0 FCAEHM C[C@]1(C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)Cc2ccccc2C(=O)O1 ZINC000279513427 488948965 /nfs/dbraw/zinc/94/89/65/488948965.db2.gz OXDSPVFKNOQPIZ-QZTJIDSGSA-N -1 3 357.366 0.359 10 0 FCAEHM CSc1nc(C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c2ccccn21 ZINC000279526014 488950243 /nfs/dbraw/zinc/95/02/43/488950243.db2.gz PUNXRIIVMRDSQD-INIZCTEOSA-N -1 3 359.411 0.870 10 0 FCAEHM COc1ccc2c(c1)C[C@H](C(=O)N1CCC[C@]3(C1)NC(=O)[N-]C3=O)CO2 ZINC000279531746 488950797 /nfs/dbraw/zinc/95/07/97/488950797.db2.gz QFRMDBDWQFFXKO-KPZWWZAWSA-N -1 3 359.382 0.447 10 0 FCAEHM C[C@@H]1Oc2ccccc2N(CC(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)C1=O ZINC000279547080 488951453 /nfs/dbraw/zinc/95/14/53/488951453.db2.gz RCMKVNMOBPVVII-BBATYDOGSA-N -1 3 372.381 0.001 10 0 FCAEHM O=C(C[C@@H](O)c1ccc(Cl)cc1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279633365 488958098 /nfs/dbraw/zinc/95/80/98/488958098.db2.gz YGRGCZNUUXUZEO-MLGOLLRUSA-N -1 3 351.790 0.964 10 0 FCAEHM COc1cccc(-c2cc(C(=O)N3CCC[C@@]4(C3)NC(=O)[N-]C4=O)[nH]n2)c1 ZINC000279649785 488959401 /nfs/dbraw/zinc/95/94/01/488959401.db2.gz ZSPRTGCPEUIBKF-SFHVURJKSA-N -1 3 369.381 0.900 10 0 FCAEHM C[C@@H](C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O)n1nnc(-c2ccccc2)n1 ZINC000279652328 488959553 /nfs/dbraw/zinc/95/95/53/488959553.db2.gz ZZMLOWZTERGUOY-GTNSWQLSSA-N -1 3 369.385 0.102 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1cccc(Cl)c1N1CCOCC1 ZINC000042902764 487883038 /nfs/dbraw/zinc/88/30/38/487883038.db2.gz SFBUIFCEEPDGQK-NSHDSACASA-N -1 3 352.778 0.713 10 0 FCAEHM NC(=O)c1ccc(N2CCCCC2)c(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)c1 ZINC000043966518 487908586 /nfs/dbraw/zinc/90/85/86/487908586.db2.gz UPOAITKPZBYUCL-LBPRGKRZSA-N -1 3 359.386 0.312 10 0 FCAEHM CCn1c(=O)[n-]c(=O)c2c(C(=O)NCc3ccnn3C)cc(C(C)C)nc21 ZINC000047458474 488030005 /nfs/dbraw/zinc/03/00/05/488030005.db2.gz VSSKSRPXOUAVNZ-UHFFFAOYSA-N -1 3 370.413 0.892 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-]CC(=O)N2CCCc3ccccc32)C[C@H](C)O1 ZINC000057101402 488266409 /nfs/dbraw/zinc/26/64/09/488266409.db2.gz QFGLZVKNZXZCEP-OKILXGFUSA-N -1 3 367.471 0.909 10 0 FCAEHM Cc1nc(C)c(CCC(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)c(=O)[n-]1 ZINC000066051588 488324213 /nfs/dbraw/zinc/32/42/13/488324213.db2.gz QMWJBQFIJRGGAO-CQSZACIVSA-N -1 3 374.416 0.919 10 0 FCAEHM CCOC(=O)C(C)(C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000066773877 488337415 /nfs/dbraw/zinc/33/74/15/488337415.db2.gz YOJJCFMQKRAKIU-JTQLQIEISA-N -1 3 360.407 0.950 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000067812368 488356065 /nfs/dbraw/zinc/35/60/65/488356065.db2.gz OARUQRYPZCTOOX-CMPLNLGQSA-N -1 3 364.199 0.971 10 0 FCAEHM COC(=O)[C@H](C)CN(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000068083663 488360289 /nfs/dbraw/zinc/36/02/89/488360289.db2.gz LCKSNFDPHGZQIZ-MNOVXSKESA-N -1 3 360.407 0.760 10 0 FCAEHM CN(C)C(=O)CN1CCC(NC(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000069037861 488370506 /nfs/dbraw/zinc/37/05/06/488370506.db2.gz DDXYPXVEHNKZRG-UHFFFAOYSA-N -1 3 357.414 0.206 10 0 FCAEHM COc1ccccc1[C@H](C)NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000268137732 488388550 /nfs/dbraw/zinc/38/85/50/488388550.db2.gz PQGZMDXHCDQMJT-NSHDSACASA-N -1 3 352.416 0.584 10 0 FCAEHM COc1ccc(Cl)cc1CNC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000268176557 488393119 /nfs/dbraw/zinc/39/31/19/488393119.db2.gz VSBZUVGALRGRHF-UHFFFAOYSA-N -1 3 372.834 0.677 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2nccn2CC(C)C)cn1 ZINC000185843292 488403053 /nfs/dbraw/zinc/40/30/53/488403053.db2.gz SCLBFQSPEQKFCL-UHFFFAOYSA-N -1 3 351.432 0.772 10 0 FCAEHM CCOc1cccc(CNC(=O)CN2CC(=O)[N-]C2=O)c1OC(F)F ZINC000268293479 488405346 /nfs/dbraw/zinc/40/53/46/488405346.db2.gz ZEDJYNYONYWWKF-UHFFFAOYSA-N -1 3 357.313 0.855 10 0 FCAEHM CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cnc(C)[n-]c2=O)CN1Cc1ccoc1 ZINC000091452201 488464418 /nfs/dbraw/zinc/46/44/18/488464418.db2.gz FXDVWNLYWQYILW-ZFWWWQNUSA-N -1 3 373.413 0.180 10 0 FCAEHM O=C(Cn1c(=O)[nH]c2ccccc21)NCCCNC(=O)c1cccc([O-])c1 ZINC000102471414 488497838 /nfs/dbraw/zinc/49/78/38/488497838.db2.gz YFNRTUPMSGPRQV-UHFFFAOYSA-N -1 3 368.393 0.972 10 0 FCAEHM C[C@@H](C(=O)N1CCc2ccccc2C1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000248684709 488500939 /nfs/dbraw/zinc/50/09/39/488500939.db2.gz SHPZJHOAWWNVDW-DJJJIMSYSA-N -1 3 356.426 0.634 10 0 FCAEHM Cn1cc(C(=O)N[C@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)c(=O)[n-]c1=O ZINC000253535910 488521040 /nfs/dbraw/zinc/52/10/40/488521040.db2.gz XIZBDYUCCWVZPN-DVOMOZLQSA-N -1 3 371.393 0.663 10 0 FCAEHM COc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)[n-]1 ZINC000271454934 488521083 /nfs/dbraw/zinc/52/10/83/488521083.db2.gz VOCCLCDJEDSMFA-UHFFFAOYSA-N -1 3 368.419 0.579 10 0 FCAEHM COc1nc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)n[n-]1 ZINC000271454934 488521085 /nfs/dbraw/zinc/52/10/85/488521085.db2.gz VOCCLCDJEDSMFA-UHFFFAOYSA-N -1 3 368.419 0.579 10 0 FCAEHM COc1n[n-]c(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)n1 ZINC000271454934 488521088 /nfs/dbraw/zinc/52/10/88/488521088.db2.gz VOCCLCDJEDSMFA-UHFFFAOYSA-N -1 3 368.419 0.579 10 0 FCAEHM CCCc1cc(NC(=O)CC[N-]S(=O)(=O)c2cn(C)c(C)n2)n[nH]1 ZINC000110849785 488527186 /nfs/dbraw/zinc/52/71/86/488527186.db2.gz BIKUMFRQVGMHAW-UHFFFAOYSA-N -1 3 354.436 0.711 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@@H](Cc1ccccc1)C(=O)OC1CCCC1 ZINC000271594723 488529331 /nfs/dbraw/zinc/52/93/31/488529331.db2.gz SEOODVPGERTWLL-GJZGRUSLSA-N -1 3 373.409 0.798 10 0 FCAEHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)Nc1ncnn1C ZINC000118950341 488554894 /nfs/dbraw/zinc/55/48/94/488554894.db2.gz ZSSMKNQOAXHUJF-UHFFFAOYSA-N -1 3 366.337 0.961 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)[C@@H]2CCCCN2S(C)(=O)=O)n[n-]1 ZINC000119649742 488558187 /nfs/dbraw/zinc/55/81/87/488558187.db2.gz UICDADRTQQUBRQ-NSHDSACASA-N -1 3 352.420 0.563 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)[C@@H]2CCCCN2S(C)(=O)=O)[n-]n1 ZINC000119649742 488558188 /nfs/dbraw/zinc/55/81/88/488558188.db2.gz UICDADRTQQUBRQ-NSHDSACASA-N -1 3 352.420 0.563 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@H](CO)c1cnn(C)c1 ZINC000272321007 488573103 /nfs/dbraw/zinc/57/31/03/488573103.db2.gz JRWKUPOOUCDPMC-GXFFZTMASA-N -1 3 370.406 0.076 10 0 FCAEHM CN(CC(=O)[O-])C[C@H]1CN(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)CCO1 ZINC000262732149 488588566 /nfs/dbraw/zinc/58/85/66/488588566.db2.gz BDQAVGLKYWGKKI-DZGCQCFKSA-N -1 3 368.817 0.887 10 0 FCAEHM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)C1 ZINC000272560992 488589009 /nfs/dbraw/zinc/58/90/09/488589009.db2.gz UIEHJRUODZPZSV-VWYCJHECSA-N -1 3 354.407 0.346 10 0 FCAEHM CN(CC(=O)[O-])C[C@H]1CN(C(=O)c2coc(Br)c2)CCO1 ZINC000262966732 488601211 /nfs/dbraw/zinc/60/12/11/488601211.db2.gz RBJXCCWYPNCZQQ-JTQLQIEISA-N -1 3 361.192 0.900 10 0 FCAEHM O=S(=O)(C[C@@H]1CCCO1)[N-]C[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000563059380 491211417 /nfs/dbraw/zinc/21/14/17/491211417.db2.gz UFGYDJISGOAEHJ-RYUDHWBXSA-N -1 3 361.441 0.320 10 0 FCAEHM O=S(=O)(C[C@H]1CCCO1)[N-]C[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000563059384 491211465 /nfs/dbraw/zinc/21/14/65/491211465.db2.gz UFGYDJISGOAEHJ-VXGBXAGGSA-N -1 3 361.441 0.320 10 0 FCAEHM COCc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000129442265 488631288 /nfs/dbraw/zinc/63/12/88/488631288.db2.gz BDCRBCZNNQBWDL-QMMMGPOBSA-N -1 3 360.827 0.625 10 0 FCAEHM Cc1cccc(CNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)n1 ZINC000130444066 488637391 /nfs/dbraw/zinc/63/73/91/488637391.db2.gz DBSMRQMMFVHCMS-UHFFFAOYSA-N -1 3 353.176 0.319 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000132389679 488653019 /nfs/dbraw/zinc/65/30/19/488653019.db2.gz YYWSOFZMBFZJRK-WDEREUQCSA-N -1 3 372.219 0.469 10 0 FCAEHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N1CC[C@@H](O)C1 ZINC000132678763 488655108 /nfs/dbraw/zinc/65/51/08/488655108.db2.gz JDOBAIHEHBTQSP-GFCCVEGCSA-N -1 3 355.350 0.787 10 0 FCAEHM C[C@H](CCNC(=O)CCn1[n-]c(=O)c2ccccc2c1=O)[S@](C)=O ZINC000134761982 488668907 /nfs/dbraw/zinc/66/89/07/488668907.db2.gz ZMTYJUXYEHHTQK-YDGUKXNOSA-N -1 3 351.428 0.353 10 0 FCAEHM COCCOc1ccc(-c2noc(CN3CC(=O)[N-]C3=O)n2)cc1F ZINC000273900396 488674200 /nfs/dbraw/zinc/67/42/00/488674200.db2.gz UEGYEULRBNUNRW-UHFFFAOYSA-N -1 3 350.306 0.953 10 0 FCAEHM CCO[C@@H]1C[C@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)[C@@H]1OC ZINC000274095154 488682964 /nfs/dbraw/zinc/68/29/64/488682964.db2.gz SBCGBZHXPMGKSA-DNVSUFBTSA-N -1 3 374.434 0.801 10 0 FCAEHM CCCNC(=O)c1ccc(NC(=O)CN2CC(=O)[N-]C2=O)cc1Cl ZINC000264651008 488694365 /nfs/dbraw/zinc/69/43/65/488694365.db2.gz SJKAOSOOFZCDGM-UHFFFAOYSA-N -1 3 352.778 0.970 10 0 FCAEHM CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)CN1CC(=O)[N-]C1=O ZINC000264673467 488696605 /nfs/dbraw/zinc/69/66/05/488696605.db2.gz JSIOWSYMUXCMBX-UHFFFAOYSA-N -1 3 373.196 0.942 10 0 FCAEHM CC1CCN(Cc2csc(NC(=O)CN3CC(=O)[N-]C3=O)n2)CC1 ZINC000264799524 488713503 /nfs/dbraw/zinc/71/35/03/488713503.db2.gz YQJANHQZIIXMOQ-UHFFFAOYSA-N -1 3 351.432 0.865 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NCc1cc2c(c(Br)c1)OCO2 ZINC000264815702 488715622 /nfs/dbraw/zinc/71/56/22/488715622.db2.gz GQMSCHPZIMRJSM-UHFFFAOYSA-N -1 3 370.159 0.346 10 0 FCAEHM O=C(Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1)N1CCN(C2CC2)CC1 ZINC000274900108 488741958 /nfs/dbraw/zinc/74/19/58/488741958.db2.gz SHIROFOBGDYKCZ-HNNXBMFYSA-N -1 3 357.414 0.749 10 0 FCAEHM CO[C@@H](C)c1noc(CN(C)C(=O)C[N-]S(=O)(=O)c2cccs2)n1 ZINC000267073165 488758829 /nfs/dbraw/zinc/75/88/29/488758829.db2.gz GJJZOEOMUCRMBB-VIFPVBQESA-N -1 3 374.444 0.775 10 0 FCAEHM Cc1nccc(N2CCN(C(=O)CNC(=O)c3cccc([O-])c3)CC2)n1 ZINC000275123091 488763960 /nfs/dbraw/zinc/76/39/60/488763960.db2.gz LMLJAQGMIUOJML-UHFFFAOYSA-N -1 3 355.398 0.569 10 0 FCAEHM CC(C)OCCS(=O)(=O)[N-]CC(=O)Nc1cc(-c2ccncc2)[nH]n1 ZINC000267375476 488782207 /nfs/dbraw/zinc/78/22/07/488782207.db2.gz STNMOJMFRDKYFI-UHFFFAOYSA-N -1 3 367.431 0.755 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@]2(C(=O)OC)CCOC2)cc1F ZINC000277958479 488794559 /nfs/dbraw/zinc/79/45/59/488794559.db2.gz TZXVQPQLTQAVHB-CQSZACIVSA-N -1 3 361.347 0.223 10 0 FCAEHM O=S(=O)(CCCS(=O)(=O)Nc1ccnnc1)[N-]C1(C(F)F)CC1 ZINC000349531972 489309004 /nfs/dbraw/zinc/30/90/04/489309004.db2.gz AOXRTXJFDQIJAA-UHFFFAOYSA-N -1 3 370.403 0.326 10 0 FCAEHM Cc1ccn2c(c1)nnc2NC(=O)C[N-]S(=O)(=O)CCOC(C)C ZINC000267957226 488831037 /nfs/dbraw/zinc/83/10/37/488831037.db2.gz AAGPQZZFZFZUSG-UHFFFAOYSA-N -1 3 355.420 0.321 10 0 FCAEHM COc1ccc2c(c1)CCN2C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000268083997 488838761 /nfs/dbraw/zinc/83/87/61/488838761.db2.gz HEVZWAQMEPDLEY-UHFFFAOYSA-N -1 3 350.400 0.296 10 0 FCAEHM Cc1cc(N2CCC[C@H](NC(=O)c3ccc4n[n-]nc4c3)C2=O)n(C)n1 ZINC000173066700 488840337 /nfs/dbraw/zinc/84/03/37/488840337.db2.gz ADUANSFVJLAWAG-ZDUSSCGKSA-N -1 3 353.386 0.925 10 0 FCAEHM CC(C)(C)OC(=O)CSCC(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000364601161 488977049 /nfs/dbraw/zinc/97/70/49/488977049.db2.gz OLCHQKUFVIMCIW-OAHLLOKOSA-N -1 3 357.432 0.262 10 0 FCAEHM O=C([C@@H]1COCCN1CC1CCC1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000329266342 488987351 /nfs/dbraw/zinc/98/73/51/488987351.db2.gz CSJLJNKMXDSNSP-GUYCJALGSA-N -1 3 350.419 0.733 10 0 FCAEHM CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000329312503 488992826 /nfs/dbraw/zinc/99/28/26/488992826.db2.gz AOBUEUKJKIQZKA-HBNTYKKESA-N -1 3 354.432 0.537 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-][C@H]2CCN(c3ccccc3F)C2=O)C[C@@H](C)O1 ZINC000329439945 489004388 /nfs/dbraw/zinc/00/43/88/489004388.db2.gz MUPLIXPHYOVXCW-BZPMIXESSA-N -1 3 371.434 0.875 10 0 FCAEHM COC(=O)CCCO[N-]C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000288840237 489021016 /nfs/dbraw/zinc/02/10/16/489021016.db2.gz PMDGMAHFHCPIAR-LBPRGKRZSA-N -1 3 363.370 0.898 10 0 FCAEHM CCOC(=O)c1cn[n-]c1S(=O)(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000281038266 489048533 /nfs/dbraw/zinc/04/85/33/489048533.db2.gz QYRQCKNSPZAIST-HNNXBMFYSA-N -1 3 373.431 0.545 10 0 FCAEHM CCOC(=O)c1c[n-]nc1S(=O)(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000281038266 489048536 /nfs/dbraw/zinc/04/85/36/489048536.db2.gz QYRQCKNSPZAIST-HNNXBMFYSA-N -1 3 373.431 0.545 10 0 FCAEHM CO[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000289495214 489071307 /nfs/dbraw/zinc/07/13/07/489071307.db2.gz JJPIXYCHOOUJBC-GHMZBOCLSA-N -1 3 350.462 0.639 10 0 FCAEHM COCC[C@@H](CO)[N-]S(=O)(=O)c1ccc(CCNC(=O)OC)s1 ZINC000281386392 489071820 /nfs/dbraw/zinc/07/18/20/489071820.db2.gz OSDRXVPFWGTKAN-JTQLQIEISA-N -1 3 366.461 0.322 10 0 FCAEHM COc1ccc(CN(C)C(=O)CN2CCC[C@H](c3nc(=O)[n-][nH]3)C2)cc1 ZINC000289498238 489071865 /nfs/dbraw/zinc/07/18/65/489071865.db2.gz TXTIWFAHXBLYTL-AWEZNQCLSA-N -1 3 359.430 0.945 10 0 FCAEHM C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000289508866 489072763 /nfs/dbraw/zinc/07/27/63/489072763.db2.gz UYBPSOVLTJKZQS-PWSUYJOCSA-N -1 3 358.402 0.404 10 0 FCAEHM O=C(CN1CCC[C@H](c2nc(=O)[n-][nH]2)C1)NC(=O)NC1CCCCC1 ZINC000289546616 489075918 /nfs/dbraw/zinc/07/59/18/489075918.db2.gz WZRCEFIABYVZRU-NSHDSACASA-N -1 3 350.423 0.436 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C[C@@H](CO)[C@H]1CCOC1 ZINC000289655524 489084371 /nfs/dbraw/zinc/08/43/71/489084371.db2.gz BFRGWOMMBTVDTB-RYUDHWBXSA-N -1 3 361.416 0.606 10 0 FCAEHM CN(CCCO)C(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000281726047 489101400 /nfs/dbraw/zinc/10/14/00/489101400.db2.gz HHHQHISMNQOAOF-UHFFFAOYSA-N -1 3 371.278 0.630 10 0 FCAEHM CC(C)(C)c1n[n-]c(S(=O)(=O)CC(=O)N2CCOC[C@@H]2C2CC2)n1 ZINC000365714388 489103807 /nfs/dbraw/zinc/10/38/07/489103807.db2.gz WTJCSNPZTOWELN-LLVKDONJSA-N -1 3 356.448 0.513 10 0 FCAEHM CC(C)(C)c1nnc(S(=O)(=O)CC(=O)N2CCOC[C@@H]2C2CC2)[n-]1 ZINC000365714388 489103809 /nfs/dbraw/zinc/10/38/09/489103809.db2.gz WTJCSNPZTOWELN-LLVKDONJSA-N -1 3 356.448 0.513 10 0 FCAEHM CCOc1cccc(S(=O)(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000281870171 489113055 /nfs/dbraw/zinc/11/30/55/489113055.db2.gz CMSYUCPOVDGARY-HNNXBMFYSA-N -1 3 353.400 0.448 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](O)C(F)(F)F)cc1OC ZINC000281967348 489120892 /nfs/dbraw/zinc/12/08/92/489120892.db2.gz SNRSVJAZNMBBTR-JTQLQIEISA-N -1 3 357.306 0.683 10 0 FCAEHM C[C@@]1(c2ccc(-c3noc([C@]4(C)CCC(=O)NC4)n3)cc2)NC(=O)[N-]C1=O ZINC000290220558 489122887 /nfs/dbraw/zinc/12/28/87/489122887.db2.gz PRKAIYRNNIMVGU-MSOLQXFVSA-N -1 3 369.381 0.959 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000282109093 489134955 /nfs/dbraw/zinc/13/49/55/489134955.db2.gz FMCROLTYRXKCKB-SECBINFHSA-N -1 3 372.150 0.690 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)NCCCN1CCOC1=O ZINC000290544950 489148209 /nfs/dbraw/zinc/14/82/09/489148209.db2.gz SCKVCHFPHJKIIH-UHFFFAOYSA-N -1 3 359.379 0.063 10 0 FCAEHM CCNC(=O)N1CC[C@H](NC(=O)C[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000290551221 489148820 /nfs/dbraw/zinc/14/88/20/489148820.db2.gz QBHMENPOPSPTBF-NSHDSACASA-N -1 3 372.422 0.024 10 0 FCAEHM CCc1ccc(CS(=O)(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000366152287 489151076 /nfs/dbraw/zinc/15/10/76/489151076.db2.gz AKYXAGDXWBLEQH-MRXNPFEDSA-N -1 3 351.428 0.753 10 0 FCAEHM C[C@H]1NC(=O)CC[C@H]1NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000282307546 489152977 /nfs/dbraw/zinc/15/29/77/489152977.db2.gz ROADZQYDPQANGS-TZMCWYRMSA-N -1 3 360.414 0.527 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-]C[C@@](C)(O)C(=O)OC(C)(C)C)C[C@@H](C)O1 ZINC000330919688 489157448 /nfs/dbraw/zinc/15/74/48/489157448.db2.gz OMPKAPCVYVOUQT-JTNHKYCSSA-N -1 3 352.453 0.023 10 0 FCAEHM CCOC(=O)c1cnc(NC(=O)C[N-]S(=O)(=O)c2cccs2)n1C ZINC000290674365 489157505 /nfs/dbraw/zinc/15/75/05/489157505.db2.gz HGGSNPFIEMUKLF-UHFFFAOYSA-N -1 3 372.428 0.575 10 0 FCAEHM C[C@@H](Cn1cncn1)NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290866248 489170012 /nfs/dbraw/zinc/17/00/12/489170012.db2.gz RBGSNKKKSGSAJF-QWRGUYRKSA-N -1 3 362.356 0.767 10 0 FCAEHM COc1nnc(NC(=O)NCC[N-]S(=O)(=O)c2cccs2)s1 ZINC000282614697 489178387 /nfs/dbraw/zinc/17/83/87/489178387.db2.gz FBUTVBVXORVMGD-UHFFFAOYSA-N -1 3 363.446 0.708 10 0 FCAEHM O=S(=O)([N-][C@@H]1CCCS(=O)(=O)C1)c1cnccc1C(F)(F)F ZINC000331281383 489193555 /nfs/dbraw/zinc/19/35/55/489193555.db2.gz QTOQNAPIJWWWBB-MRVPVSSYSA-N -1 3 358.363 0.956 10 0 FCAEHM COc1cc(OC)c(C(=O)Nc2[n-]nnc2C(=O)NC2CC2)cc1OC ZINC000297616084 489214242 /nfs/dbraw/zinc/21/42/42/489214242.db2.gz AVHNADYKPZJIJH-UHFFFAOYSA-N -1 3 361.358 0.975 10 0 FCAEHM COc1cc(OC)c(C(=O)Nc2nn[n-]c2C(=O)NC2CC2)cc1OC ZINC000297616084 489214244 /nfs/dbraw/zinc/21/42/44/489214244.db2.gz AVHNADYKPZJIJH-UHFFFAOYSA-N -1 3 361.358 0.975 10 0 FCAEHM COc1cc(OC)c(C(=O)Nc2n[n-]nc2C(=O)NC2CC2)cc1OC ZINC000297616084 489214248 /nfs/dbraw/zinc/21/42/48/489214248.db2.gz AVHNADYKPZJIJH-UHFFFAOYSA-N -1 3 361.358 0.975 10 0 FCAEHM CCS(=O)(=O)c1ccc(C(=O)Nc2[n-]nnc2C(=O)NC2CC2)cc1 ZINC000297661782 489220673 /nfs/dbraw/zinc/22/06/73/489220673.db2.gz GDMPIYCCQXQALR-UHFFFAOYSA-N -1 3 363.399 0.743 10 0 FCAEHM CCS(=O)(=O)c1ccc(C(=O)Nc2nn[n-]c2C(=O)NC2CC2)cc1 ZINC000297661782 489220674 /nfs/dbraw/zinc/22/06/74/489220674.db2.gz GDMPIYCCQXQALR-UHFFFAOYSA-N -1 3 363.399 0.743 10 0 FCAEHM CCS(=O)(=O)c1ccc(C(=O)Nc2n[n-]nc2C(=O)NC2CC2)cc1 ZINC000297661782 489220675 /nfs/dbraw/zinc/22/06/75/489220675.db2.gz GDMPIYCCQXQALR-UHFFFAOYSA-N -1 3 363.399 0.743 10 0 FCAEHM CCCCC(=O)N1CSC[C@H]1C(=O)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000297711674 489228329 /nfs/dbraw/zinc/22/83/29/489228329.db2.gz KVXMITNXJWAOJU-JTQLQIEISA-N -1 3 366.447 0.727 10 0 FCAEHM CCCCC(=O)N1CSC[C@H]1C(=O)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000297711674 489228331 /nfs/dbraw/zinc/22/83/31/489228331.db2.gz KVXMITNXJWAOJU-JTQLQIEISA-N -1 3 366.447 0.727 10 0 FCAEHM CCCCC(=O)N1CSC[C@H]1C(=O)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000297711674 489228333 /nfs/dbraw/zinc/22/83/33/489228333.db2.gz KVXMITNXJWAOJU-JTQLQIEISA-N -1 3 366.447 0.727 10 0 FCAEHM C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1[n-]nnc1C(=O)NC1CC1)CS2 ZINC000297795636 489241845 /nfs/dbraw/zinc/24/18/45/489241845.db2.gz RVGOUUPKNVRUMV-XLKFXECMSA-N -1 3 350.404 0.089 10 0 FCAEHM C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1nn[n-]c1C(=O)NC1CC1)CS2 ZINC000297795636 489241848 /nfs/dbraw/zinc/24/18/48/489241848.db2.gz RVGOUUPKNVRUMV-XLKFXECMSA-N -1 3 350.404 0.089 10 0 FCAEHM C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1n[n-]nc1C(=O)NC1CC1)CS2 ZINC000297795636 489241850 /nfs/dbraw/zinc/24/18/50/489241850.db2.gz RVGOUUPKNVRUMV-XLKFXECMSA-N -1 3 350.404 0.089 10 0 FCAEHM CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@@]1(C)CC1(F)F ZINC000657157721 492733273 /nfs/dbraw/zinc/73/32/73/492733273.db2.gz XIHXAWGYMLIUDE-LLVKDONJSA-N -1 3 354.400 0.918 10 0 FCAEHM Cc1n[nH]c(C)c1[N-]S(=O)(=O)CCCS(=O)(=O)N1CCCCO1 ZINC000349470500 489293365 /nfs/dbraw/zinc/29/33/65/489293365.db2.gz SSMVMZXTBWXYPB-UHFFFAOYSA-N -1 3 366.465 0.516 10 0 FCAEHM COC(=O)[C@H](CF)NC(=O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000570557339 491249156 /nfs/dbraw/zinc/24/91/56/491249156.db2.gz NGHIAOBUJYAPKA-JTQLQIEISA-N -1 3 350.343 0.121 10 0 FCAEHM CC[C@H]1CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1c(C)n[nH]c1C ZINC000349474125 489293899 /nfs/dbraw/zinc/29/38/99/489293899.db2.gz COHNHOAOLBLPAK-LBPRGKRZSA-N -1 3 364.493 0.972 10 0 FCAEHM CC1=C[C@@H](C)CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cn[nH]c2)C1 ZINC000349476991 489295241 /nfs/dbraw/zinc/29/52/41/489295241.db2.gz IALBQOLTKAMALY-LLVKDONJSA-N -1 3 362.477 0.769 10 0 FCAEHM CN1C(=O)N[C@@]2(CCC[C@@H]2C[N-]S(=O)(=O)c2ccccc2F)C1=O ZINC000370025076 489305753 /nfs/dbraw/zinc/30/57/53/489305753.db2.gz GWMSXZCZKCSIDQ-MEBBXXQBSA-N -1 3 355.391 0.825 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)NCCCN1CCCC1=O ZINC000298247829 489308702 /nfs/dbraw/zinc/30/87/02/489308702.db2.gz XKBRJRVXKJZGPO-UHFFFAOYSA-N -1 3 359.473 0.545 10 0 FCAEHM CCN(C)S(=O)(=O)CCCCS(=O)(=O)[N-]c1c(C)n[nH]c1C ZINC000349566699 489317177 /nfs/dbraw/zinc/31/71/77/489317177.db2.gz OHQMNFXVWNOJBI-UHFFFAOYSA-N -1 3 352.482 0.830 10 0 FCAEHM CC1(CNS(=O)(=O)CCCS(=O)(=O)[N-]c2ccnnc2)CCC1 ZINC000349580991 489321362 /nfs/dbraw/zinc/32/13/62/489321362.db2.gz VLDAHRFDJITTBO-UHFFFAOYSA-N -1 3 362.477 0.718 10 0 FCAEHM Cc1n[nH]c(C)c1[N-]S(=O)(=O)CCCCS(=O)(=O)N1CCOC1 ZINC000349597310 489323741 /nfs/dbraw/zinc/32/37/41/489323741.db2.gz DIONQSCCPKOTHB-UHFFFAOYSA-N -1 3 366.465 0.168 10 0 FCAEHM C[C@@H](CN1CCOCC1)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000298495994 489331760 /nfs/dbraw/zinc/33/17/60/489331760.db2.gz LIVBRWOUEQNABL-STQMWFEESA-N -1 3 373.450 0.329 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]Cc2nc([C@H]3CCOC[C@H]3C)no2)cn1C ZINC000350592411 489342427 /nfs/dbraw/zinc/34/24/27/489342427.db2.gz HKUITYJCQDSWRQ-KOLCDFICSA-N -1 3 355.420 0.730 10 0 FCAEHM C[C@H](CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-])N1CCCC1 ZINC000555291240 491244351 /nfs/dbraw/zinc/24/43/51/491244351.db2.gz KDUXTGKKLPMLHI-GFCCVEGCSA-N -1 3 355.460 0.857 10 0 FCAEHM C[C@@H](CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-])N1CCCC1 ZINC000555291241 491244362 /nfs/dbraw/zinc/24/43/62/491244362.db2.gz KDUXTGKKLPMLHI-LBPRGKRZSA-N -1 3 355.460 0.857 10 0 FCAEHM CCN1C[C@@H](c2noc(-c3ccc(S(=O)(=O)[N-]C)nc3)n2)CC1=O ZINC000351450890 489357128 /nfs/dbraw/zinc/35/71/28/489357128.db2.gz XFVWTAKPADYZGQ-JTQLQIEISA-N -1 3 351.388 0.376 10 0 FCAEHM C[C@]1(C[C@@H]2CCCN2C(=O)Cn2c3ccccc3[nH]c2=O)NC(=O)[N-]C1=O ZINC000286169970 489363947 /nfs/dbraw/zinc/36/39/47/489363947.db2.gz KBMOTLMICZMYKT-BBATYDOGSA-N -1 3 371.397 0.309 10 0 FCAEHM C[C@@H](Cn1cncn1)[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000298827030 489370702 /nfs/dbraw/zinc/37/07/02/489370702.db2.gz SSTZTXHXBCSQPU-VIFPVBQESA-N -1 3 353.379 0.669 10 0 FCAEHM C[C@@]1(C[C@H]2CCCN2C(=O)c2cnc(OCC3CC3)cn2)NC(=O)[N-]C1=O ZINC000286254968 489374063 /nfs/dbraw/zinc/37/40/63/489374063.db2.gz PJSIHGQFTPMBBH-XIKOKIGWSA-N -1 3 373.413 0.858 10 0 FCAEHM NC(=O)[C@]1(O)CCN(C(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)C1 ZINC000370575561 489377322 /nfs/dbraw/zinc/37/73/22/489377322.db2.gz JWENALGXYTZVLE-IBGZPJMESA-N -1 3 354.362 0.686 10 0 FCAEHM COC(=O)c1ccc(N2CCC[C@@H]2C[C@@]2(C)NC(=O)[N-]C2=O)nc1OC ZINC000286534358 489401548 /nfs/dbraw/zinc/40/15/48/489401548.db2.gz YTPVTLMFIADAFN-BMLIUANNSA-N -1 3 362.386 0.834 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@H](C)CS(C)(=O)=O)coc1C(=O)N(C)C ZINC000645629861 492950927 /nfs/dbraw/zinc/95/09/27/492950927.db2.gz JCHRWRFPISVZKI-MRVPVSSYSA-N -1 3 352.434 0.001 10 0 FCAEHM CCO[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000632209748 492951053 /nfs/dbraw/zinc/95/10/53/492951053.db2.gz KUNZQZQODXMLRZ-VHSXEESVSA-N -1 3 357.354 0.911 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)C[C@@H]2Oc3ccccc3NC2=O)nc1=N ZINC000555533973 491253208 /nfs/dbraw/zinc/25/32/08/491253208.db2.gz LURRBEOEEUKANY-AAEUAGOBSA-N -1 3 356.386 0.681 10 0 FCAEHM O=C1CCC(=O)N1CCC[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000286898779 489440920 /nfs/dbraw/zinc/44/09/20/489440920.db2.gz NZRYYOZTLSCGNQ-UHFFFAOYSA-N -1 3 365.333 0.918 10 0 FCAEHM CCN1C(=O)N=NC1C1CCN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)CC1 ZINC000371161239 489458901 /nfs/dbraw/zinc/45/89/01/489458901.db2.gz USQRIXAXJLMVEG-UHFFFAOYSA-N -1 3 369.381 0.907 10 0 FCAEHM C[C@@H](Cn1cncn1)NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000299643936 489466789 /nfs/dbraw/zinc/46/67/89/489466789.db2.gz NXTCTDQPBCNTEC-ZDUSSCGKSA-N -1 3 358.402 0.540 10 0 FCAEHM COC(=O)[C@@H](O)C(C)(C)[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000287229575 489471221 /nfs/dbraw/zinc/47/12/21/489471221.db2.gz GGBRVHWZDJJMRF-SECBINFHSA-N -1 3 356.322 0.691 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)N[C@H]2CCC(=O)N(C)C2)ccc1F ZINC000287226109 489471493 /nfs/dbraw/zinc/47/14/93/489471493.db2.gz NPWJYAMTTFHIRV-JTQLQIEISA-N -1 3 358.395 0.476 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000371280459 489473007 /nfs/dbraw/zinc/47/30/07/489473007.db2.gz PVRVQIMYHOTYGA-ZJUUUORDSA-N -1 3 354.457 0.812 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000371280459 489473009 /nfs/dbraw/zinc/47/30/09/489473009.db2.gz PVRVQIMYHOTYGA-ZJUUUORDSA-N -1 3 354.457 0.812 10 0 FCAEHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000363532770 489476522 /nfs/dbraw/zinc/47/65/22/489476522.db2.gz LDTOETQSQJMXMF-BBBLOLIVSA-N -1 3 358.441 0.822 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c(C)o1 ZINC000371363737 489481020 /nfs/dbraw/zinc/48/10/20/489481020.db2.gz HMBVSGBKPNWMAG-GDPRMGEGSA-N -1 3 356.400 0.662 10 0 FCAEHM COC(=O)c1ncccc1S(=O)(=O)[N-][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000451280143 489496957 /nfs/dbraw/zinc/49/69/57/489496957.db2.gz GEPQCMINKSUODG-HBNTYKKESA-N -1 3 353.400 0.156 10 0 FCAEHM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-][C@@H]2COCC2(C)C)c1 ZINC000451979793 489535279 /nfs/dbraw/zinc/53/52/79/489535279.db2.gz QMCZIAJBXYUBDU-CYBMUJFWSA-N -1 3 371.411 0.963 10 0 FCAEHM C[C@H](C(=O)Nc1cc(-c2nccn2C)[n-]n1)N1C(=O)NC2(CCCC2)C1=O ZINC000372085809 489543054 /nfs/dbraw/zinc/54/30/54/489543054.db2.gz ANKHWNNTHMCNJZ-SNVBAGLBSA-N -1 3 371.401 1.002 10 0 FCAEHM C[C@H](C(=O)Nc1cc(-c2nccn2C)n[n-]1)N1C(=O)NC2(CCCC2)C1=O ZINC000372085809 489543057 /nfs/dbraw/zinc/54/30/57/489543057.db2.gz ANKHWNNTHMCNJZ-SNVBAGLBSA-N -1 3 371.401 1.002 10 0 FCAEHM Cc1cc(C(=O)NC2CCN(C(=O)C[C@@H]3NC(=O)[N-]C3=O)CC2)c(C)o1 ZINC000372356050 489574787 /nfs/dbraw/zinc/57/47/87/489574787.db2.gz KSNZVPHVIRUQQH-ZDUSSCGKSA-N -1 3 362.386 0.215 10 0 FCAEHM NC(=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)C1 ZINC000416399179 489589602 /nfs/dbraw/zinc/58/96/02/489589602.db2.gz GQNRRVMFXWNOBU-SFYZADRCSA-N -1 3 357.363 0.583 10 0 FCAEHM Cn1ccnc1CN1CCN(C(=O)CNC(=O)c2cccc([O-])c2)CC1 ZINC000427096788 489594318 /nfs/dbraw/zinc/59/43/18/489594318.db2.gz LJTYJTBLASGSOZ-UHFFFAOYSA-N -1 3 357.414 0.200 10 0 FCAEHM COc1cc(C)cc(NC(=O)C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)c1C ZINC000427226059 489598390 /nfs/dbraw/zinc/59/83/90/489598390.db2.gz HLZBGTDWSQPWOV-LBPRGKRZSA-N -1 3 360.370 0.013 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCC[C@]2(CCOC2)C1 ZINC000456734252 489623342 /nfs/dbraw/zinc/62/33/42/489623342.db2.gz RUXBXNRSJYLBGB-AWEZNQCLSA-N -1 3 372.219 0.741 10 0 FCAEHM CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000428069869 489636765 /nfs/dbraw/zinc/63/67/65/489636765.db2.gz LYPGZWZTANTKME-QWRGUYRKSA-N -1 3 359.382 0.714 10 0 FCAEHM CCOC(=O)[C@@H](Cc1ccccn1)[N-]S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000428421342 489647637 /nfs/dbraw/zinc/64/76/37/489647637.db2.gz JZJZDPCCFNISHO-VNHYZAJKSA-N -1 3 371.459 0.499 10 0 FCAEHM Cc1ccccc1[C@@H](CC(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1)NC(N)=O ZINC000570886730 491271438 /nfs/dbraw/zinc/27/14/38/491271438.db2.gz GHJOUDVQZBHAGC-KGLIPLIRSA-N -1 3 371.445 0.999 10 0 FCAEHM COc1ccc2c(c1)[n-]cc(C(=O)NC[C@@H]1CCCS1(=O)=O)c2=O ZINC000489130608 489696426 /nfs/dbraw/zinc/69/64/26/489696426.db2.gz CBUKMINSBFDFRO-NSHDSACASA-N -1 3 350.396 0.844 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)NCCc1nnc2n1CCC2 ZINC000489159470 489698038 /nfs/dbraw/zinc/69/80/38/489698038.db2.gz WIHMAQXQALRJJQ-UHFFFAOYSA-N -1 3 369.472 0.313 10 0 FCAEHM Cn1cc(C[C@H](O)C(=O)Nc2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)cn1 ZINC000469346813 489703531 /nfs/dbraw/zinc/70/35/31/489703531.db2.gz ZORWLNPREWVQJG-SUMWQHHRSA-N -1 3 357.370 0.017 10 0 FCAEHM Cc1nc2nc(N)nn2c(C)c1CCC(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000473847435 489740918 /nfs/dbraw/zinc/74/09/18/489740918.db2.gz CICLEFYCXWSNSM-ZDUSSCGKSA-N -1 3 370.417 0.891 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cncc(C(=O)OC)c2)cn1 ZINC000474260930 489749595 /nfs/dbraw/zinc/74/95/95/489749595.db2.gz WXNSKVWXYHGAGQ-UHFFFAOYSA-N -1 3 350.356 0.424 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)N2CCN3CCOC[C@@H]3C2)ccc1F ZINC000376607969 489760089 /nfs/dbraw/zinc/76/00/89/489760089.db2.gz BMPOWXMVRCHYKH-LBPRGKRZSA-N -1 3 372.422 0.282 10 0 FCAEHM Cn1nc(CC(=O)Nc2nnc(SCCO)[n-]2)c2ccccc2c1=O ZINC000490563783 489774658 /nfs/dbraw/zinc/77/46/58/489774658.db2.gz HIYNUICWYGBPPB-UHFFFAOYSA-N -1 3 360.399 0.317 10 0 FCAEHM Cn1nc(CC(=O)Nc2nc(SCCO)n[n-]2)c2ccccc2c1=O ZINC000490563783 489774663 /nfs/dbraw/zinc/77/46/63/489774663.db2.gz HIYNUICWYGBPPB-UHFFFAOYSA-N -1 3 360.399 0.317 10 0 FCAEHM Cn1nc(CC(=O)Nc2n[n-]c(SCCO)n2)c2ccccc2c1=O ZINC000490563783 489774667 /nfs/dbraw/zinc/77/46/67/489774667.db2.gz HIYNUICWYGBPPB-UHFFFAOYSA-N -1 3 360.399 0.317 10 0 FCAEHM COc1nc(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)n[n-]1 ZINC000490641314 489778216 /nfs/dbraw/zinc/77/82/16/489778216.db2.gz WRSUWCBINLHUGZ-VIFPVBQESA-N -1 3 361.358 0.822 10 0 FCAEHM COc1nnc(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)[n-]1 ZINC000490641314 489778218 /nfs/dbraw/zinc/77/82/18/489778218.db2.gz WRSUWCBINLHUGZ-VIFPVBQESA-N -1 3 361.358 0.822 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)n1 ZINC000490641314 489778222 /nfs/dbraw/zinc/77/82/22/489778222.db2.gz WRSUWCBINLHUGZ-VIFPVBQESA-N -1 3 361.358 0.822 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)N1CCn2nncc2C1 ZINC000570982979 491278259 /nfs/dbraw/zinc/27/82/59/491278259.db2.gz KVXKZRLHCZUYJY-UHFFFAOYSA-N -1 3 353.379 0.128 10 0 FCAEHM NC(=O)[C@H]1CCC[C@@H](NC(=O)C[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000570979613 491278362 /nfs/dbraw/zinc/27/83/62/491278362.db2.gz DTWVIDWOTRVBET-WDEREUQCSA-N -1 3 357.407 0.264 10 0 FCAEHM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H]1CCCN(C)C1 ZINC000681998562 493259432 /nfs/dbraw/zinc/25/94/32/493259432.db2.gz POBDLZQZCSUDTR-LBPRGKRZSA-N -1 3 361.489 0.309 10 0 FCAEHM CCOC(=O)C[C@H]1C[C@@H](OC)CN1C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000571017405 491280231 /nfs/dbraw/zinc/28/02/31/491280231.db2.gz SIGZTKFPSLSKOT-UKRRQHHQSA-N -1 3 364.398 0.691 10 0 FCAEHM COc1ccc(NC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)c(OC)c1OC ZINC000492050700 489816620 /nfs/dbraw/zinc/81/66/20/489816620.db2.gz ZVBMNMWOZTWRDH-JTQLQIEISA-N -1 3 364.358 0.480 10 0 FCAEHM NC(=O)c1csc(NCC[N-]S(=O)(=O)c2ccc(F)cc2F)n1 ZINC000432153064 489830666 /nfs/dbraw/zinc/83/06/66/489830666.db2.gz YTRUDWUFHPCMRS-UHFFFAOYSA-N -1 3 362.383 0.911 10 0 FCAEHM O=C(CN1CCN2C(=O)[N-]C(=O)[C@@H]2C1)Nc1nc(-c2ccccc2)cs1 ZINC000492630950 489833044 /nfs/dbraw/zinc/83/30/44/489833044.db2.gz RKWYIYWDAZOAPW-ZDUSSCGKSA-N -1 3 371.422 0.985 10 0 FCAEHM NS(=O)(=O)c1ccc(C[N-]S(=O)(=O)c2cnc3n2CCC3)s1 ZINC000475536305 489835344 /nfs/dbraw/zinc/83/53/44/489835344.db2.gz AKCPMWBZZTVROB-UHFFFAOYSA-N -1 3 362.458 0.017 10 0 FCAEHM CN(C)C(=O)C1(C(=O)NCc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)CC1 ZINC000493685255 489854615 /nfs/dbraw/zinc/85/46/15/489854615.db2.gz IARSJJZXOUPCQA-KRWDZBQOSA-N -1 3 358.398 0.226 10 0 FCAEHM COc1cc(OC)c2ncnc(N3CCC[C@@]4(C3)NC(=O)[N-]C4=O)c2c1 ZINC000432931292 489859364 /nfs/dbraw/zinc/85/93/64/489859364.db2.gz BDQOXNNZGZMJBK-KRWDZBQOSA-N -1 3 357.370 0.825 10 0 FCAEHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCO[C@H](C2CC2)C1 ZINC000493929240 489863597 /nfs/dbraw/zinc/86/35/97/489863597.db2.gz XRZFAFKNDKBRGC-ZDUSSCGKSA-N -1 3 374.484 0.784 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)NCCC[C@H]2CCCC[C@H]2O)cn1C ZINC000433273260 489875572 /nfs/dbraw/zinc/87/55/72/489875572.db2.gz RJZVOPHNNIKSDS-ZIAGYGMSSA-N -1 3 372.491 0.454 10 0 FCAEHM O=C(CCOCC1CC1)NCC(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC000434082327 489912501 /nfs/dbraw/zinc/91/25/01/489912501.db2.gz JFDZCFXZBITTGL-UHFFFAOYSA-N -1 3 360.370 0.912 10 0 FCAEHM O=C(CCOCC1CC1)NCC(=O)Nc1cccc2c(=O)[n-][nH]c(=O)c12 ZINC000434082327 489912503 /nfs/dbraw/zinc/91/25/03/489912503.db2.gz JFDZCFXZBITTGL-UHFFFAOYSA-N -1 3 360.370 0.912 10 0 FCAEHM CCOC(=O)C1(O)CCN(C(=O)c2cc(S(=O)(=O)[N-]C)oc2C)CC1 ZINC000434274715 489920606 /nfs/dbraw/zinc/92/06/06/489920606.db2.gz MRLHIKPJUGLAMS-UHFFFAOYSA-N -1 3 374.415 0.026 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)CCNC(=O)c3ccco3)cc2n(C)c1=O ZINC000461619860 489923112 /nfs/dbraw/zinc/92/31/12/489923112.db2.gz UIARFWMWSDBTOK-UHFFFAOYSA-N -1 3 358.354 0.934 10 0 FCAEHM CO[C@]1(CNC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)CCOC1 ZINC000461694371 489929290 /nfs/dbraw/zinc/92/92/90/489929290.db2.gz VEZZGOMFXOBESZ-NHYWBVRUSA-N -1 3 360.407 0.414 10 0 FCAEHM COC(=O)C[C@](C)(NC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1cccc(OC)c1 ZINC000495188515 489929608 /nfs/dbraw/zinc/92/96/08/489929608.db2.gz FINIPTAFPQLEFX-SJCJKPOMSA-N -1 3 363.370 0.188 10 0 FCAEHM CC(=O)Nc1ccc(NC(=O)CN2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000434794552 489957967 /nfs/dbraw/zinc/95/79/67/489957967.db2.gz FJYQSFXEVSVETC-KRWDZBQOSA-N -1 3 359.386 0.258 10 0 FCAEHM CCN([C@@H]1CCOC1)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000462291204 489967094 /nfs/dbraw/zinc/96/70/94/489967094.db2.gz AOFCFYRYCWXWSJ-SNVBAGLBSA-N -1 3 366.436 0.997 10 0 FCAEHM CN(c1nncs1)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000462418647 489974465 /nfs/dbraw/zinc/97/44/65/489974465.db2.gz QNDCLXZXKIEYHD-UHFFFAOYSA-N -1 3 366.421 0.874 10 0 FCAEHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c1 ZINC000462580996 489983869 /nfs/dbraw/zinc/98/38/69/489983869.db2.gz OBRLJXAJIXJIAY-IEBDPFPHSA-N -1 3 358.441 0.822 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000377986761 489991708 /nfs/dbraw/zinc/99/17/08/489991708.db2.gz ODWWCZAEALEBBR-UHFFFAOYSA-N -1 3 367.431 0.699 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000377986761 489991710 /nfs/dbraw/zinc/99/17/10/489991710.db2.gz ODWWCZAEALEBBR-UHFFFAOYSA-N -1 3 367.431 0.699 10 0 FCAEHM CC(=O)N1CCN(C(=O)CC[N-]S(=O)(=O)c2ccccc2F)[C@H](C)C1 ZINC000478020895 490000874 /nfs/dbraw/zinc/00/08/74/490000874.db2.gz DCVYVANFYKIXIQ-GFCCVEGCSA-N -1 3 371.434 0.573 10 0 FCAEHM O=C(NCCNC(=O)c1cc2c(cn1)nc[nH]c2=O)c1ccc([O-])cc1 ZINC000436814108 490013174 /nfs/dbraw/zinc/01/31/74/490013174.db2.gz RGIAAMRUEQEQGU-UHFFFAOYSA-N -1 3 353.338 0.596 10 0 FCAEHM Cn1cc(C[C@@H](O)C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cn1 ZINC000436830265 490013494 /nfs/dbraw/zinc/01/34/94/490013494.db2.gz NTBBQTUKDVKISJ-MRXNPFEDSA-N -1 3 358.398 0.014 10 0 FCAEHM COC(=O)[C@H](O)C(C)(C)[N-]S(=O)(=O)C[C@@H](Cc1ccccc1)OC ZINC000420738450 490016782 /nfs/dbraw/zinc/01/67/82/490016782.db2.gz ZGFZWRUSEDYHFF-KGLIPLIRSA-N -1 3 359.444 0.476 10 0 FCAEHM COC(=O)c1sc(NC(=O)CN2CC(=O)[N-]C2=O)nc1C(C)(C)C ZINC000478557305 490025246 /nfs/dbraw/zinc/02/52/46/490025246.db2.gz RKPXTJREAVQMMR-UHFFFAOYSA-N -1 3 354.388 0.718 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CC(OCC(F)F)C1 ZINC000478564509 490025376 /nfs/dbraw/zinc/02/53/76/490025376.db2.gz VRMMPBLUKIUEMI-VIFPVBQESA-N -1 3 366.361 0.985 10 0 FCAEHM Cc1nc(NCC[N-]S(=O)(=O)c2ccc(F)cc2F)nc(N(C)C)n1 ZINC000440642968 490048724 /nfs/dbraw/zinc/04/87/24/490048724.db2.gz AQPXALZIHPMTHX-UHFFFAOYSA-N -1 3 372.401 0.915 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1c[nH]c(C(N)=O)c1 ZINC000465043438 490076098 /nfs/dbraw/zinc/07/60/98/490076098.db2.gz NHUKLXFGOMBSBQ-QMMMGPOBSA-N -1 3 354.363 0.558 10 0 FCAEHM CO[C@@H](CS(=O)(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1)C1CC1 ZINC000571280700 491297640 /nfs/dbraw/zinc/29/76/40/491297640.db2.gz OQLANYNVPGLNRE-INIZCTEOSA-N -1 3 368.455 0.905 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CC(n2ccnn2)C1 ZINC000378547881 490088301 /nfs/dbraw/zinc/08/83/01/490088301.db2.gz JJGGYGOVJVQESX-JTQLQIEISA-N -1 3 353.379 0.168 10 0 FCAEHM Cn1nccc1[C@H](CO)[N-]S(=O)(=O)c1ccc2c(c1)OC(F)(F)O2 ZINC000571320576 491300434 /nfs/dbraw/zinc/30/04/34/491300434.db2.gz QLRRXBHDSDJAEQ-VIFPVBQESA-N -1 3 361.326 0.754 10 0 FCAEHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)c1 ZINC000506700791 490131561 /nfs/dbraw/zinc/13/15/61/490131561.db2.gz WZIGGFCKZKAISO-SMDDNHRTSA-N -1 3 369.443 0.798 10 0 FCAEHM C[C@@H](NC(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1)c1ccccc1-n1cccn1 ZINC000545435852 490135300 /nfs/dbraw/zinc/13/53/00/490135300.db2.gz UXJDBUUPMVXALE-IUODEOHRSA-N -1 3 368.397 0.879 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c(C)o1 ZINC000497364973 490153651 /nfs/dbraw/zinc/15/36/51/490153651.db2.gz LTUNKOAXUGXODL-WCQYABFASA-N -1 3 369.443 0.627 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1cccn(Cc2ccc(F)cc2)c1=O ZINC000446869642 490167202 /nfs/dbraw/zinc/16/72/02/490167202.db2.gz ZNRJVGUBVMMDCM-UHFFFAOYSA-N -1 3 358.329 0.526 10 0 FCAEHM CCOC(=O)[C@@H]([N-]S(=O)(=O)CCN(CC)CC)C1CCOCC1 ZINC000564395915 491304957 /nfs/dbraw/zinc/30/49/57/491304957.db2.gz MCAORYDJIHXZBC-AWEZNQCLSA-N -1 3 350.481 0.606 10 0 FCAEHM CN(CC(=O)NC(C)(C)C)C(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000480550551 490210687 /nfs/dbraw/zinc/21/06/87/490210687.db2.gz FKDXMOITODQXDZ-SFHVURJKSA-N -1 3 360.414 0.728 10 0 FCAEHM C[C@@H]([N-]S(C)(=O)=O)c1nc(-c2ccnc(N3CCOCC3)c2)no1 ZINC000546409255 490213393 /nfs/dbraw/zinc/21/33/93/490213393.db2.gz IASNBQXZUQATII-SNVBAGLBSA-N -1 3 353.404 0.578 10 0 FCAEHM CN(C)Cc1cc(CNC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)ccc1F ZINC000564459970 491308314 /nfs/dbraw/zinc/30/83/14/491308314.db2.gz ZRSYJCFVBKWSPX-CQSZACIVSA-N -1 3 363.393 0.333 10 0 FCAEHM O=C(c1ccccc1)N1CCC[C@@H]1C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000408033581 490219629 /nfs/dbraw/zinc/21/96/29/490219629.db2.gz OALQKYZBBHSZRF-KGLIPLIRSA-N -1 3 356.382 0.054 10 0 FCAEHM C[C@]1(C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)CCCN1C(=O)c1ccccc1 ZINC000408033280 490219664 /nfs/dbraw/zinc/21/96/64/490219664.db2.gz JXHSKMQBEAVQSI-AUUYWEPGSA-N -1 3 370.409 0.444 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N(CCc1ccccn1)Cc1cccnc1 ZINC000507419660 490220137 /nfs/dbraw/zinc/22/01/37/490220137.db2.gz ZEVIKFQXPYTUKP-UHFFFAOYSA-N -1 3 353.382 0.600 10 0 FCAEHM O=S(=O)([N-]CC(F)(F)F)c1cccc(S(=O)(=O)N2CCCO2)c1 ZINC000521067957 490220893 /nfs/dbraw/zinc/22/08/93/490220893.db2.gz GVSIPBIBJICZKW-UHFFFAOYSA-N -1 3 374.362 0.853 10 0 FCAEHM COc1cc(F)c(S(=O)(=O)[N-][C@@H](CO)c2ccnn2C)cc1OC ZINC000521069597 490221956 /nfs/dbraw/zinc/22/19/56/490221956.db2.gz OEKWLZIORSDAPO-JTQLQIEISA-N -1 3 359.379 0.588 10 0 FCAEHM COc1ccccc1N1CC[C@H](NC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)C1 ZINC000546847976 490250879 /nfs/dbraw/zinc/25/08/79/490250879.db2.gz MXPULBDNBAULAI-GXTWGEPZSA-N -1 3 373.413 0.220 10 0 FCAEHM Cc1ccc(CNC(=O)CN2CC(=O)[N-]C2=O)c(OC[C@H]2CCCO2)c1 ZINC000467219214 490269811 /nfs/dbraw/zinc/26/98/11/490269811.db2.gz SMBXEONRKATTRR-CQSZACIVSA-N -1 3 361.398 0.721 10 0 FCAEHM Cn1ccc(CNC(=O)CC[N-]S(=O)(=O)c2ccc(F)c(F)c2)n1 ZINC000498215558 490273125 /nfs/dbraw/zinc/27/31/25/490273125.db2.gz HOSJYCOSMGGECQ-UHFFFAOYSA-N -1 3 358.370 0.683 10 0 FCAEHM C[C@]1(c2ccc(CNS(=O)(=O)c3ccccc3N)cc2)NC(=O)[N-]C1=O ZINC000467414178 490290611 /nfs/dbraw/zinc/29/06/11/490290611.db2.gz RNKWCDJGWHBFEM-QGZVFWFLSA-N -1 3 374.422 0.802 10 0 FCAEHM COCCN1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)OC)cs1 ZINC000521733722 490296390 /nfs/dbraw/zinc/29/63/90/490296390.db2.gz GRBATWRIZQSSEI-GFCCVEGCSA-N -1 3 362.473 0.924 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)NC[C@@H]2C[C@@H]2C)s1 ZINC000467519239 490305775 /nfs/dbraw/zinc/30/57/75/490305775.db2.gz AYWWARHPLLDYEP-ONGXEEELSA-N -1 3 359.473 0.435 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]Cc1nnc2n1CCC2 ZINC000508239596 490311151 /nfs/dbraw/zinc/31/11/51/490311151.db2.gz KKSSNSOTPOHMMR-UHFFFAOYSA-N -1 3 356.429 0.106 10 0 FCAEHM CNC(=O)C(C)(C)CNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000448312579 490332041 /nfs/dbraw/zinc/33/20/41/490332041.db2.gz AZWIRYTXEDRQTM-JTQLQIEISA-N -1 3 359.423 0.381 10 0 FCAEHM COC(=O)CCCc1nnc(NC(=O)NCc2ncccc2[O-])s1 ZINC000467926040 490350539 /nfs/dbraw/zinc/35/05/39/490350539.db2.gz DLVHPLLGULRGMS-UHFFFAOYSA-N -1 3 351.388 1.456 10 0 FCAEHM CNC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]Cc2ccnn2C)c1OC ZINC000508875954 490367185 /nfs/dbraw/zinc/36/71/85/490367185.db2.gz WOURGEQRVLTEOQ-UHFFFAOYSA-N -1 3 372.834 0.920 10 0 FCAEHM CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000564704189 491321440 /nfs/dbraw/zinc/32/14/40/491321440.db2.gz KPJBXQLFVVZOKV-DNVCBOLYSA-N -1 3 370.409 0.160 10 0 FCAEHM COC(=O)[C@@H](O)CNC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000484202104 490395421 /nfs/dbraw/zinc/39/54/21/490395421.db2.gz NFXKBXYGTFICGL-NSHDSACASA-N -1 3 369.171 0.554 10 0 FCAEHM COc1nccnc1CNCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000449304052 490409024 /nfs/dbraw/zinc/40/90/24/490409024.db2.gz OCHVUPXFVFHFEH-UHFFFAOYSA-N -1 3 358.370 0.832 10 0 FCAEHM O=C([N-]c1nccn1-c1ccccc1)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000411351841 490437360 /nfs/dbraw/zinc/43/73/60/490437360.db2.gz GKBZZYDZLRDGGS-OAHLLOKOSA-N -1 3 355.398 0.354 10 0 FCAEHM CCS(=O)(=O)NCCNC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC000411388398 490445636 /nfs/dbraw/zinc/44/56/36/490445636.db2.gz VKTRWTNHDBLNNT-UHFFFAOYSA-N -1 3 357.819 0.851 10 0 FCAEHM COC(=O)C1([N-]S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CCSCC1 ZINC000548294127 490458125 /nfs/dbraw/zinc/45/81/25/490458125.db2.gz QGDBAIVMTPXUQA-GHMZBOCLSA-N -1 3 352.478 0.369 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)NCC[C@H]2CCOC2)ccc1F ZINC000499833471 490462227 /nfs/dbraw/zinc/46/22/27/490462227.db2.gz LXYLSIHCRMQPGE-JTQLQIEISA-N -1 3 373.406 0.215 10 0 FCAEHM NC(=O)C[C@H]1CCCCN1C(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000509866969 490472121 /nfs/dbraw/zinc/47/21/21/490472121.db2.gz XGKXXIGOIZRZJB-GFCCVEGCSA-N -1 3 358.398 0.749 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1cccc(C(=O)Nc2ccccn2)c1 ZINC000535320827 490479598 /nfs/dbraw/zinc/47/95/98/490479598.db2.gz JCTVZMVBRVXUDO-LBPRGKRZSA-N -1 3 353.338 0.871 10 0 FCAEHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000535332210 490480565 /nfs/dbraw/zinc/48/05/65/490480565.db2.gz MVDPRJCQKJWNEK-MWLCHTKSSA-N -1 3 358.391 0.935 10 0 FCAEHM COCc1nc(C(=O)NCc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)co1 ZINC000548501306 490492794 /nfs/dbraw/zinc/49/27/94/490492794.db2.gz PBUHXUMLAQDPOM-KRWDZBQOSA-N -1 3 358.354 0.806 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2CC(=O)NCCOc2ccc(F)cc2)nc1=N ZINC000450913461 490497238 /nfs/dbraw/zinc/49/72/38/490497238.db2.gz OCMKCGFSXTWUBC-AWEZNQCLSA-N -1 3 362.409 0.699 10 0 FCAEHM COC(=O)c1ncccc1S(=O)(=O)[N-]Cc1cccnc1N(C)C ZINC000451050084 490511262 /nfs/dbraw/zinc/51/12/62/490511262.db2.gz MJKPMAOVQTVESV-UHFFFAOYSA-N -1 3 350.400 0.808 10 0 FCAEHM O=C([C@H](OC1CCOCC1)c1ccccc1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000535725810 490517139 /nfs/dbraw/zinc/51/71/39/490517139.db2.gz MYJGPDDYAHMNGJ-HZPDHXFCSA-N -1 3 373.409 0.686 10 0 FCAEHM CN(C(=O)CN1CC(=O)[N-]C1=O)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000524113446 490519085 /nfs/dbraw/zinc/51/90/85/490519085.db2.gz STOSWLDBDCETIK-MRXNPFEDSA-N -1 3 359.361 0.659 10 0 FCAEHM CS(=O)(=O)c1cccnc1CNC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000485508651 490536324 /nfs/dbraw/zinc/53/63/24/490536324.db2.gz WHTGXUMNZYWQPZ-UHFFFAOYSA-N -1 3 374.378 0.690 10 0 FCAEHM Cc1nc(C(=O)Nc2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)c(=O)[nH]c1C ZINC000536074046 490551037 /nfs/dbraw/zinc/55/10/37/490551037.db2.gz RMAQMDDZTSIMLD-KRWDZBQOSA-N -1 3 355.354 0.694 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)ccc1F ZINC000500894626 490560616 /nfs/dbraw/zinc/56/06/16/490560616.db2.gz VBHQPWDYCXFGII-DDFAGTSDSA-N -1 3 355.391 0.587 10 0 FCAEHM Cc1noc(CC[N-]S(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)n1 ZINC000536254144 490564523 /nfs/dbraw/zinc/56/45/23/490564523.db2.gz RYCZYNOZAUEXRA-UHFFFAOYSA-N -1 3 356.795 0.904 10 0 FCAEHM CCOC(=O)[C@H](NC(=O)c1cc(=O)[n-]c(N(C)C)n1)C1CCOCC1 ZINC000549259314 490571618 /nfs/dbraw/zinc/57/16/18/490571618.db2.gz QPSSGEIUCMZQMH-CYBMUJFWSA-N -1 3 352.391 0.336 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)NC2(CO)CC2)cc1OC ZINC000501080579 490577613 /nfs/dbraw/zinc/57/76/13/490577613.db2.gz NPTDFOPKYUGNNT-UHFFFAOYSA-N -1 3 371.415 0.036 10 0 FCAEHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]C1CCC(C(N)=O)CC1 ZINC000486031684 490585251 /nfs/dbraw/zinc/58/52/51/490585251.db2.gz ZSDNBZHHXRHMRF-UHFFFAOYSA-N -1 3 358.416 0.951 10 0 FCAEHM CN(C)c1nc(C(=O)N2CCC(CCN3CCOCC3)CC2)cc(=O)[n-]1 ZINC000549590675 490590769 /nfs/dbraw/zinc/59/07/69/490590769.db2.gz GUJKBZUGYLNQEL-UHFFFAOYSA-N -1 3 363.462 0.823 10 0 FCAEHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(CCO)[C@H]1CCO[C@@H]1C ZINC000501467582 490606968 /nfs/dbraw/zinc/60/69/68/490606968.db2.gz ALAHORAUIOUMGK-MNOVXSKESA-N -1 3 370.427 0.780 10 0 FCAEHM CCOC(=O)[C@@H](Cc1ccccn1)[N-]S(=O)(=O)CC[C@@H]1CCOC1 ZINC000549815411 490609154 /nfs/dbraw/zinc/60/91/54/490609154.db2.gz UMAXTYBVCSXJAS-DZGCQCFKSA-N -1 3 356.444 0.902 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)N[C@H](C(=O)NC)C(C)C)ccc1F ZINC000486345319 490611555 /nfs/dbraw/zinc/61/15/55/490611555.db2.gz MYALDHBEOUABFF-LBPRGKRZSA-N -1 3 360.411 0.626 10 0 FCAEHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CNS(=O)(=O)NC)c2)n1 ZINC000550149450 490631823 /nfs/dbraw/zinc/63/18/23/490631823.db2.gz QWPORAGWCVDWJX-UHFFFAOYSA-N -1 3 365.415 0.404 10 0 FCAEHM Cc1nccc(NC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)c1Br ZINC000525847787 490641322 /nfs/dbraw/zinc/64/13/22/490641322.db2.gz NRQCRGABHAKILB-SECBINFHSA-N -1 3 368.191 0.342 10 0 FCAEHM COCCN(Cc1ccnn1C)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000486569959 490647667 /nfs/dbraw/zinc/64/76/67/490647667.db2.gz ZVZBJYNJOQRANB-UHFFFAOYSA-N -1 3 357.370 0.984 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCOC[C@H]1c1noc(-c2ccccc2)n1 ZINC000501935756 490656138 /nfs/dbraw/zinc/65/61/38/490656138.db2.gz CMKACYZVDGBKIW-RYUDHWBXSA-N -1 3 371.353 0.235 10 0 FCAEHM CC(C)CCc1ccccc1NC(=O)C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000526730780 490682756 /nfs/dbraw/zinc/68/27/56/490682756.db2.gz XSNZFPRROWEAFB-HNNXBMFYSA-N -1 3 372.425 0.976 10 0 FCAEHM C[C@H](CNC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)N1CCCCC1=O ZINC000527007927 490691840 /nfs/dbraw/zinc/69/18/40/490691840.db2.gz WUBFGVDMOJLPGF-BLVKFPJESA-N -1 3 372.425 0.872 10 0 FCAEHM CCOC(=O)[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000487415124 490711396 /nfs/dbraw/zinc/71/13/96/490711396.db2.gz VBSOTVHSNOUVLD-IUCAKERBSA-N -1 3 364.370 0.699 10 0 FCAEHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]C[C@@]1(CCO)CCOC1 ZINC000538143367 490716480 /nfs/dbraw/zinc/71/64/80/490716480.db2.gz HWIVGOJSJNYEFE-OAHLLOKOSA-N -1 3 361.391 0.680 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CO)c2ccnn2C)c(F)c1 ZINC000572133206 491350706 /nfs/dbraw/zinc/35/07/06/491350706.db2.gz DPBMNQJVJFKVOE-LLVKDONJSA-N -1 3 357.363 0.358 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)COc2ccc3c(c2)CCC(=O)N3)nc1=N ZINC000565094041 491353306 /nfs/dbraw/zinc/35/33/06/491353306.db2.gz QSQDFRIXBUKKNG-CQSZACIVSA-N -1 3 370.413 0.855 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)NC2(CC(=O)OC)CCCC2)cn1 ZINC000514005590 490758087 /nfs/dbraw/zinc/75/80/87/490758087.db2.gz NCYNDGUDOMKAKX-UHFFFAOYSA-N -1 3 355.416 0.595 10 0 FCAEHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]C[C@H]3CC[C@H](C(=O)N(C)C)O3)cn21 ZINC000557110196 491353686 /nfs/dbraw/zinc/35/36/86/491353686.db2.gz NGAFFHBPEGJHSP-JHJVBQTASA-N -1 3 370.475 0.695 10 0 FCAEHM COCc1ccccc1CS(=O)(=O)[N-][C@]1(CC(=O)OC)CCOC1 ZINC000565106003 491354179 /nfs/dbraw/zinc/35/41/79/491354179.db2.gz WPZIFIUAFGSMPF-INIZCTEOSA-N -1 3 357.428 0.975 10 0 FCAEHM CCc1cc(=O)[n-]c(-c2ccc(N3CCO[C@H](CNC(=O)NC)C3)nc2)n1 ZINC000528120998 490779209 /nfs/dbraw/zinc/77/92/09/490779209.db2.gz JKQOIXQBOSCHIX-CQSZACIVSA-N -1 3 372.429 0.941 10 0 FCAEHM Cn1nccc1[C@H](CO)[N-]S(=O)(=O)c1cc(C(F)(F)F)nn1C ZINC000528417130 490796018 /nfs/dbraw/zinc/79/60/18/490796018.db2.gz SAPKBBNDQAGYMA-ZETCQYMHSA-N -1 3 353.326 0.184 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@@H]1CCC(=O)N(C)C1=O)c1ccc(F)cc1 ZINC000528421278 490796935 /nfs/dbraw/zinc/79/69/35/490796935.db2.gz FAZHDSNYALMTHT-CHWSQXEVSA-N -1 3 358.391 0.580 10 0 FCAEHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]C[C@H](O)[C@H]2CCCO2)s1 ZINC000528482707 490802538 /nfs/dbraw/zinc/80/25/38/490802538.db2.gz CXAQPTJGRBPXIU-QWHCGFSZSA-N -1 3 362.473 0.245 10 0 FCAEHM COCCOc1ccc(F)cc1S(=O)(=O)[N-]C[C@@H](O)[C@H]1CCCO1 ZINC000528486921 490802853 /nfs/dbraw/zinc/80/28/53/490802853.db2.gz LEYKJHYZYOYMKB-CHWSQXEVSA-N -1 3 363.407 0.669 10 0 FCAEHM Cc1nn2cc(S(=O)(=O)[N-]C[C@H](O)[C@@H]3CCCO3)cnc2c1Cl ZINC000528494434 490803782 /nfs/dbraw/zinc/80/37/82/490803782.db2.gz XJMAVZCNIIHKMD-QWRGUYRKSA-N -1 3 360.823 0.509 10 0 FCAEHM COc1cc2c(cc1F)CC[C@H]2NC(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000515155838 490810443 /nfs/dbraw/zinc/81/04/43/490810443.db2.gz OASZYZIODOEQGQ-CHWSQXEVSA-N -1 3 362.361 0.767 10 0 FCAEHM Cn1ccc(S(=O)(=O)[N-]Cc2cnc(N3CCOCC3)c(F)c2)n1 ZINC000515299524 490816457 /nfs/dbraw/zinc/81/64/57/490816457.db2.gz LUKNSPHJLVSORV-UHFFFAOYSA-N -1 3 355.395 0.269 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]CC(=O)N(C)CCc1ccccn1)C1CC1 ZINC000515349287 490820168 /nfs/dbraw/zinc/82/01/68/490820168.db2.gz DXYPJUITVDKZKT-OAHLLOKOSA-N -1 3 355.460 0.427 10 0 FCAEHM CC(=O)Nc1ncc(S(=O)(=O)[N-]C[C@@H]2CCCCN2CCO)s1 ZINC000515367775 490822596 /nfs/dbraw/zinc/82/25/96/490822596.db2.gz AOZSJVRYIFJGML-NSHDSACASA-N -1 3 362.477 0.227 10 0 FCAEHM O=C(N[C@@H](CO)CN1CCOCC1)c1cc([O-])cc(Br)c1 ZINC000529260451 490846962 /nfs/dbraw/zinc/84/69/62/490846962.db2.gz MVMPBLQEQGUBLP-GFCCVEGCSA-N -1 3 359.220 0.578 10 0 FCAEHM O=S(=O)([N-]CC(F)F)c1ccc(S(=O)(=O)N2CCCO2)cc1 ZINC000565227685 491362074 /nfs/dbraw/zinc/36/20/74/491362074.db2.gz AMJSLPBKANPIMF-UHFFFAOYSA-N -1 3 356.372 0.556 10 0 FCAEHM O=C(CCOC1CNC1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000516458689 490864044 /nfs/dbraw/zinc/86/40/44/490864044.db2.gz FUAHGGNLKRSEBP-UHFFFAOYSA-N -1 3 369.443 0.494 10 0 FCAEHM Cn1c(CNC(=O)C[N-]S(=O)(=O)c2cccs2)nnc1C1CCC1 ZINC000541560279 490866367 /nfs/dbraw/zinc/86/63/67/490866367.db2.gz SGOXLVZRKYYPGK-UHFFFAOYSA-N -1 3 369.472 0.739 10 0 FCAEHM CN1C2(CCC2)COC[C@]1(CO)CNC(=O)c1c[n-]nc1-c1ccccn1 ZINC000529752835 490872978 /nfs/dbraw/zinc/87/29/78/490872978.db2.gz OLJMOCMVRXZRIZ-LJQANCHMSA-N -1 3 371.441 0.817 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000529919250 490883312 /nfs/dbraw/zinc/88/33/12/490883312.db2.gz OONUTSVMSZWOOI-UWVGGRQHSA-N -1 3 368.752 0.299 10 0 FCAEHM Cc1ncc(S(=O)(=O)[N-][C@@H]2CCCN(Cc3nccn3C)C2=O)s1 ZINC000542120741 490886201 /nfs/dbraw/zinc/88/62/01/490886201.db2.gz BPNWQCQSOSLIPY-LLVKDONJSA-N -1 3 369.472 0.655 10 0 FCAEHM CCOc1cccc(CS(=O)(=O)c2n[n-]c(=O)n2C[C@@H]2CCCO2)n1 ZINC000542188927 490888821 /nfs/dbraw/zinc/88/88/21/490888821.db2.gz ZAFDCZINNBRJCB-LBPRGKRZSA-N -1 3 368.415 0.930 10 0 FCAEHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]CCCn2ccnn2)c1 ZINC000542237614 490889064 /nfs/dbraw/zinc/88/90/64/490889064.db2.gz LGMRHKOBFCPPOZ-UHFFFAOYSA-N -1 3 356.379 0.963 10 0 FCAEHM C[C@H](CNC(=O)C[N-]S(=O)(=O)c1cccs1)N1CCCCC1=O ZINC000530348323 490900616 /nfs/dbraw/zinc/90/06/16/490900616.db2.gz FVARQAMAYQEBGD-LLVKDONJSA-N -1 3 359.473 0.544 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@H](CCOC)COC)s1 ZINC000517791436 490921588 /nfs/dbraw/zinc/92/15/88/490921588.db2.gz AMJHKSLCTHWBAX-SNVBAGLBSA-N -1 3 365.477 0.507 10 0 FCAEHM CCOC(=O)c1cn(C)nc1[N-]C(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000543131876 490922799 /nfs/dbraw/zinc/92/27/99/490922799.db2.gz XNYPHQQTYSWPSJ-UHFFFAOYSA-N -1 3 370.387 0.692 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1ccc(CN2CCOCC2)c(Cl)c1 ZINC000543301731 490928898 /nfs/dbraw/zinc/92/88/98/490928898.db2.gz MGMBSKSJFDBYHB-UHFFFAOYSA-N -1 3 366.805 0.663 10 0 FCAEHM CCN(Cc1cn(C)nn1)C(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000543794120 490946752 /nfs/dbraw/zinc/94/67/52/490946752.db2.gz ZBDXZAKOVBMUGI-UHFFFAOYSA-N -1 3 356.386 0.669 10 0 FCAEHM CN(C)C(=O)N1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000519005072 490958899 /nfs/dbraw/zinc/95/88/99/490958899.db2.gz GDSUGQJGLKVEIO-OAHLLOKOSA-N -1 3 374.441 0.823 10 0 FCAEHM CCN1C(=O)CCc2cc(NC(=O)N3CCN4C(=O)[N-]C(=O)[C@H]4C3)ccc21 ZINC000544798358 490981241 /nfs/dbraw/zinc/98/12/41/490981241.db2.gz YTEWZFAGEONXEB-CQSZACIVSA-N -1 3 371.397 0.754 10 0 FCAEHM O=C(NCc1cc(=O)[nH]c2ccccc12)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000544804102 490981777 /nfs/dbraw/zinc/98/17/77/490981777.db2.gz JPVRCMMUYQPAEK-ZDUSSCGKSA-N -1 3 355.354 0.386 10 0 FCAEHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(N)=O)C2)s1 ZINC000532450827 490993070 /nfs/dbraw/zinc/99/30/70/490993070.db2.gz KIPQBTVZLAALSP-VXGBXAGGSA-N -1 3 373.500 0.749 10 0 FCAEHM CCS(=O)(=O)C1(C[N-]S(=O)(=O)c2csnc2C(=O)OC)CC1 ZINC000595365053 491924707 /nfs/dbraw/zinc/92/47/07/491924707.db2.gz UODHSLIJPRTQOK-UHFFFAOYSA-N -1 3 368.458 0.175 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CCCCN2CCO)c(F)c1 ZINC000562553175 491173510 /nfs/dbraw/zinc/17/35/10/491173510.db2.gz SQMZUCBJZXBENP-CYBMUJFWSA-N -1 3 374.434 0.737 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC(C)(C(N)=O)C1 ZINC000572486206 491373332 /nfs/dbraw/zinc/37/33/32/491373332.db2.gz PONYGFTUCJSTJO-UHFFFAOYSA-N -1 3 355.398 0.407 10 0 FCAEHM Cn1nccc1[C@H](CO)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000565432370 491376548 /nfs/dbraw/zinc/37/65/48/491376548.db2.gz MSTFMFPXCZPXFS-VIFPVBQESA-N -1 3 350.322 0.846 10 0 FCAEHM C[C@@]1(c2cccc(C(=O)NC[C@H](CO)c3cccnc3)c2)NC(=O)[N-]C1=O ZINC000572554996 491378858 /nfs/dbraw/zinc/37/88/58/491378858.db2.gz NGHYGUUQAGKUEX-KUHUBIRLSA-N -1 3 368.393 0.642 10 0 FCAEHM O=C1[N-]C(=O)[C@@]2(CCCN(S(=O)(=O)CC3Cc4ccccc4C3)C2)N1 ZINC000572683797 491386904 /nfs/dbraw/zinc/38/69/04/491386904.db2.gz IDBUPVAMUGFGRM-KRWDZBQOSA-N -1 3 363.439 0.405 10 0 FCAEHM C[C@H]1CCN(c2cc(C(=O)N3CCC[C@@]4(C3)NC(=O)[N-]C4=O)ccn2)C1 ZINC000572808785 491394723 /nfs/dbraw/zinc/39/47/23/491394723.db2.gz JKBNGPAMRZVHEA-SGTLLEGYSA-N -1 3 357.414 0.742 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-][C@H]1CCCN(CC(F)(F)F)C1=O)C1CC1 ZINC000565773037 491398692 /nfs/dbraw/zinc/39/86/92/491398692.db2.gz KNKVAXLOMRWVSC-QWRGUYRKSA-N -1 3 358.382 0.884 10 0 FCAEHM O=S(=O)([N-][C@H]1CCN(S(=O)(=O)c2ccccc2)C1)c1cscn1 ZINC000565830410 491401708 /nfs/dbraw/zinc/40/17/08/491401708.db2.gz DHIFMTPMPUAWPN-NSHDSACASA-N -1 3 373.481 0.885 10 0 FCAEHM CCO[C@@H]1C[C@@H](NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)[C@@H]1n1cccn1 ZINC000565855149 491403548 /nfs/dbraw/zinc/40/35/48/491403548.db2.gz PYTKUYMBCPBPDG-KFWWJZLASA-N -1 3 354.366 0.915 10 0 FCAEHM NC(=O)[C@H]1CCCCC[C@@H]1NC(=O)C[N-]S(=O)(=O)c1ccccc1F ZINC000565981924 491410748 /nfs/dbraw/zinc/41/07/48/491410748.db2.gz VOZOZXJRFNGRSL-AAEUAGOBSA-N -1 3 371.434 0.654 10 0 FCAEHM C[C@H](OCC(=O)NCC[N-]S(=O)(=O)c1cccs1)c1nccn1C ZINC000573632030 491445378 /nfs/dbraw/zinc/44/53/78/491445378.db2.gz OVCSCUFTLZKTQR-NSHDSACASA-N -1 3 372.472 0.654 10 0 FCAEHM O=S(=O)([N-]C[C@@H](O)Cn1ccnn1)c1cnccc1C(F)(F)F ZINC000566492465 491448044 /nfs/dbraw/zinc/44/80/44/491448044.db2.gz BZGVDNVHBZOXEU-MRVPVSSYSA-N -1 3 351.310 0.031 10 0 FCAEHM Cn1nccc1[C@H](CO)[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000566493757 491448401 /nfs/dbraw/zinc/44/84/01/491448401.db2.gz WVDITNMVBZWFCS-ZETCQYMHSA-N -1 3 350.194 0.788 10 0 FCAEHM CN(C)c1nc(C(=O)NCCCNC(=O)c2ccc(F)cc2)cc(=O)[n-]1 ZINC000559018978 491451978 /nfs/dbraw/zinc/45/19/78/491451978.db2.gz YLCHUBUQKJVHJJ-UHFFFAOYSA-N -1 3 361.377 0.937 10 0 FCAEHM C[C@@H](C(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1)n1nnc(-c2ccccc2)n1 ZINC000559252768 491458107 /nfs/dbraw/zinc/45/81/07/491458107.db2.gz MBAUMOLXDPEFHU-AAEUAGOBSA-N -1 3 367.417 0.806 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)CCn2cnc3ccccc3c2=O)nc1=N ZINC000559258200 491458896 /nfs/dbraw/zinc/45/88/96/491458896.db2.gz PEVLOPHNIYULBO-CQSZACIVSA-N -1 3 367.413 0.691 10 0 FCAEHM CCOC(=O)C[C@@H](O)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000559267533 491459853 /nfs/dbraw/zinc/45/98/53/491459853.db2.gz RTINEJYLRCZGRV-GFCCVEGCSA-N -1 3 374.415 0.709 10 0 FCAEHM CCN(CC)CCS(=O)(=O)[N-][C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000574242403 491483485 /nfs/dbraw/zinc/48/34/85/491483485.db2.gz GEPGMRVEOAXFGR-ZDUSSCGKSA-N -1 3 357.480 0.095 10 0 FCAEHM CN(C)S(=O)(=O)c1ccc(CN2CCC[C@@H]2c2nc(=N)n(C)[n-]2)s1 ZINC000575118324 491540105 /nfs/dbraw/zinc/54/01/05/491540105.db2.gz PFPZKPQRZWDTBN-LLVKDONJSA-N -1 3 370.504 0.877 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-][C@@H]2CCCN(C(=O)N3CCCC3)C2)c1 ZINC000560481231 491542244 /nfs/dbraw/zinc/54/22/44/491542244.db2.gz YUOZTOFMFILFQX-CYBMUJFWSA-N -1 3 355.464 0.862 10 0 FCAEHM C[C@H]1CCCc2nc(S(=O)(=O)[N-]c3ccc(=O)n(CC(N)=O)c3)cn21 ZINC000567998329 491545917 /nfs/dbraw/zinc/54/59/17/491545917.db2.gz KXUYIZZMMMTCHI-JTQLQIEISA-N -1 3 365.415 0.228 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)CN2c3ccccc3CCC2=O)nc1=N ZINC000568047672 491550255 /nfs/dbraw/zinc/55/02/55/491550255.db2.gz SAPBXYRAPOIWKT-AWEZNQCLSA-N -1 3 354.414 0.871 10 0 FCAEHM COc1nc(NC(=O)CCNS(=O)(=O)c2ccccc2Cl)n[n-]1 ZINC000560716020 491553254 /nfs/dbraw/zinc/55/32/54/491553254.db2.gz RRUHWOQNUODIJA-UHFFFAOYSA-N -1 3 359.795 0.774 10 0 FCAEHM COc1nnc(NC(=O)CCNS(=O)(=O)c2ccccc2Cl)[n-]1 ZINC000560716020 491553256 /nfs/dbraw/zinc/55/32/56/491553256.db2.gz RRUHWOQNUODIJA-UHFFFAOYSA-N -1 3 359.795 0.774 10 0 FCAEHM COc1n[n-]c(NC(=O)CCNS(=O)(=O)c2ccccc2Cl)n1 ZINC000560716020 491553257 /nfs/dbraw/zinc/55/32/57/491553257.db2.gz RRUHWOQNUODIJA-UHFFFAOYSA-N -1 3 359.795 0.774 10 0 FCAEHM Cc1ccc2ncc(C(=O)N3CCC[C@@H]3c3nc(=N)n(C)[n-]3)c(=O)n2c1 ZINC000568139715 491555299 /nfs/dbraw/zinc/55/52/99/491555299.db2.gz NTHILRLAOSOSSR-GFCCVEGCSA-N -1 3 353.386 0.521 10 0 FCAEHM COc1ccc([N-]S(=O)(=O)C[C@@H](OC)C2CC2)cc1OCC(N)=O ZINC000575749234 491558267 /nfs/dbraw/zinc/55/82/67/491558267.db2.gz NRJWPWLPTMYRDZ-CQSZACIVSA-N -1 3 358.416 0.726 10 0 FCAEHM O=S(=O)([N-]C[C@H](O)Cn1ccnn1)c1cccnc1C(F)(F)F ZINC000568263939 491563850 /nfs/dbraw/zinc/56/38/50/491563850.db2.gz PPQBOKLVAOXRGR-QMMMGPOBSA-N -1 3 351.310 0.031 10 0 FCAEHM CS(=O)(=O)CC[C@@H]1CCCCN1C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000561043838 491571539 /nfs/dbraw/zinc/57/15/39/491571539.db2.gz ROTSRRVNRBTVGE-LBPRGKRZSA-N -1 3 364.423 1.000 10 0 FCAEHM COCCCS(=O)(=O)[N-]CC(=O)Nc1ccccc1CC(=O)OC ZINC000575937082 491571900 /nfs/dbraw/zinc/57/19/00/491571900.db2.gz CGFJYEJWIGQPPI-UHFFFAOYSA-N -1 3 358.416 0.297 10 0 FCAEHM O=C(CCN1CCN(c2ccccn2)CC1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000561199716 491582389 /nfs/dbraw/zinc/58/23/89/491582389.db2.gz RGGFPIOVISBPAF-HNNXBMFYSA-N -1 3 370.461 0.513 10 0 FCAEHM O=C(CCN1CCN(c2ccccn2)CC1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000561199716 491582392 /nfs/dbraw/zinc/58/23/92/491582392.db2.gz RGGFPIOVISBPAF-HNNXBMFYSA-N -1 3 370.461 0.513 10 0 FCAEHM CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H]1C[C@@]1(C)NC(=O)[N-]C1=O ZINC000576214816 491593186 /nfs/dbraw/zinc/59/31/86/491593186.db2.gz LQNIXGCIDFSQJJ-VEVIJQCQSA-N -1 3 364.446 0.613 10 0 FCAEHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cnn3c2OCCC3)[C@H]1n1cccn1 ZINC000577366408 491615499 /nfs/dbraw/zinc/61/54/99/491615499.db2.gz GCZBZYCIUCPPBC-YRGRVCCFSA-N -1 3 367.431 0.559 10 0 FCAEHM CCO[C@H]1C[C@]([N-]S(=O)(=O)CCN(CC)CC)(C(=O)OC)C1(C)C ZINC000576744050 491641145 /nfs/dbraw/zinc/64/11/45/491641145.db2.gz REGDVDMYKGDGAU-BBRMVZONSA-N -1 3 364.508 0.994 10 0 FCAEHM C[C@@H]1CCN(CC(=O)N(CCC(N)=O)Cc2ccccc2)C[C@H]1C(=O)[O-] ZINC000569361772 491656213 /nfs/dbraw/zinc/65/62/13/491656213.db2.gz RNEWWNJJDYEGNJ-GDBMZVCRSA-N -1 3 361.442 0.933 10 0 FCAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@@H](CO)c1ccnn1C ZINC000579259136 491694337 /nfs/dbraw/zinc/69/43/37/491694337.db2.gz LNMAMMYPNXVOAA-WCBMZHEXSA-N -1 3 373.353 0.257 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)nc1=N ZINC000579646636 491702319 /nfs/dbraw/zinc/70/23/19/491702319.db2.gz RTMUPXJROQVVRA-TUAOUCFPSA-N -1 3 360.418 0.066 10 0 FCAEHM C[C@H]1Oc2ccccc2N(CC(=O)N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)C1=O ZINC000584668219 491709651 /nfs/dbraw/zinc/70/96/51/491709651.db2.gz PRHQPDGEQNRXPV-DGCLKSJQSA-N -1 3 370.413 0.705 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-][C@@H]2CCN(c3ccc(F)cc3)C2=O)C[C@@H](C)O1 ZINC000584769104 491713624 /nfs/dbraw/zinc/71/36/24/491713624.db2.gz KARSXSGBIRORDA-LALPHHSUSA-N -1 3 371.434 0.875 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@H](CO)c1ccnn1C ZINC000580903388 491751187 /nfs/dbraw/zinc/75/11/87/491751187.db2.gz SPAHGYGIVUFTNR-SNVBAGLBSA-N -1 3 357.388 0.428 10 0 FCAEHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000673848213 493366511 /nfs/dbraw/zinc/36/65/11/493366511.db2.gz NVDJLTSPUIJOLX-AWEZNQCLSA-N -1 3 372.381 0.472 10 0 FCAEHM CSC[C@@](C)(O)C[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000592034561 491828454 /nfs/dbraw/zinc/82/84/54/491828454.db2.gz PEUXVOFGNWWUQA-ZDUSSCGKSA-N -1 3 350.462 0.682 10 0 FCAEHM O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000673848186 493366536 /nfs/dbraw/zinc/36/65/36/493366536.db2.gz QWSFDQHMVOZOKU-CQSZACIVSA-N -1 3 357.366 0.080 10 0 FCAEHM COC(=O)[C@](C)([N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C)C1CC1 ZINC000592033201 491828280 /nfs/dbraw/zinc/82/82/80/491828280.db2.gz ROLVRVYEVUWADG-OAHLLOKOSA-N -1 3 358.416 0.910 10 0 FCAEHM CS[C@@H](CO)[C@@H](C)[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000592041321 491828874 /nfs/dbraw/zinc/82/88/74/491828874.db2.gz GFBCOBWQTDCVAK-ZJUUUORDSA-N -1 3 350.462 0.681 10 0 FCAEHM COC(=O)[C@H](CC(C)(C)C)[N-]S(=O)(=O)CCCN1CCOCC1 ZINC000592076371 491830592 /nfs/dbraw/zinc/83/05/92/491830592.db2.gz YYSKSUWUKIUETB-ZDUSSCGKSA-N -1 3 350.481 0.606 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)nc1=N ZINC000583132140 491838611 /nfs/dbraw/zinc/83/86/11/491838611.db2.gz NEKMBAUIEXZWHA-HUUCEWRRSA-N -1 3 368.441 0.940 10 0 FCAEHM O=c1[nH]c2cc(F)c(S(=O)(=O)[N-]C[C@]3(CCO)CCOC3)cc2o1 ZINC000583333640 491842636 /nfs/dbraw/zinc/84/26/36/491842636.db2.gz XFEJBEFBZSFWOZ-AWEZNQCLSA-N -1 3 360.363 0.328 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CO)c2ccnn2C)cc1F ZINC000583642066 491849359 /nfs/dbraw/zinc/84/93/59/491849359.db2.gz NIVYVEJIBIAKKA-GFCCVEGCSA-N -1 3 357.363 0.358 10 0 FCAEHM CCOc1nc2cc(C(=O)NCCC(=O)NCCC(=O)OC)ccc2[n-]1 ZINC000600499217 491864295 /nfs/dbraw/zinc/86/42/95/491864295.db2.gz QVGMZHVJMZKXKY-UHFFFAOYSA-N -1 3 362.386 0.761 10 0 FCAEHM CCOc1nc2ccc(C(=O)NCCC(=O)NCCC(=O)OC)cc2[n-]1 ZINC000600499217 491864298 /nfs/dbraw/zinc/86/42/98/491864298.db2.gz QVGMZHVJMZKXKY-UHFFFAOYSA-N -1 3 362.386 0.761 10 0 FCAEHM CNC(=O)c1ccc(CS(=O)(=O)[N-][C@](C)(CCF)C(=O)OC)cc1 ZINC000594864271 491867987 /nfs/dbraw/zinc/86/79/87/491867987.db2.gz DUGNQZSRSQMCHJ-OAHLLOKOSA-N -1 3 360.407 0.757 10 0 FCAEHM CO[C@@H](Cn1cc(I)c(=O)[n-]c1=O)[C@@H]1CCOC1 ZINC000594900899 491871791 /nfs/dbraw/zinc/87/17/91/491871791.db2.gz RTAROXRFPITOIH-APPZFPTMSA-N -1 3 366.155 0.605 10 0 FCAEHM Cc1cc(C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)c(C)n1C1CCOCC1 ZINC000611956651 491885240 /nfs/dbraw/zinc/88/52/40/491885240.db2.gz QIAUEXNDNIFQCQ-OAHLLOKOSA-N -1 3 360.414 0.833 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-][C@@H](Cc2ccccc2)C(=O)N(C)C)CC1 ZINC000601343012 491906313 /nfs/dbraw/zinc/90/63/13/491906313.db2.gz JDVAEJYVGUIZIU-AWEZNQCLSA-N -1 3 368.455 0.559 10 0 FCAEHM CCOC(=O)[C@H]([N-]S(=O)(=O)C[C@@H]1CNCCO1)C1CCCCCC1 ZINC000601344509 491906636 /nfs/dbraw/zinc/90/66/36/491906636.db2.gz ZXTHSIONKXKRKR-LSDHHAIUSA-N -1 3 362.492 0.796 10 0 FCAEHM CC(C)(C)n1nnc(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)n1 ZINC000612378396 491913276 /nfs/dbraw/zinc/91/32/76/491913276.db2.gz WSCLLJTXRNOMQA-UHFFFAOYSA-N -1 3 358.402 0.732 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-]C[C@H](n2cccn2)C(F)(F)F)CC1 ZINC000601472274 491925037 /nfs/dbraw/zinc/92/50/37/491925037.db2.gz RBFXTPLAQIOCNW-VIFPVBQESA-N -1 3 355.338 0.859 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)c1cnc2n1CCOC2 ZINC000612738062 491947980 /nfs/dbraw/zinc/94/79/80/491947980.db2.gz LZLXJNOPZHJJPC-UHFFFAOYSA-N -1 3 356.429 0.183 10 0 FCAEHM C[C@H]1CCCC[C@H]1NC(=O)NC(=O)CN1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000595886124 491959461 /nfs/dbraw/zinc/95/94/61/491959461.db2.gz VNOUAMDKAXCCJX-SFDCBXKLSA-N -1 3 353.419 0.424 10 0 FCAEHM O=C(NC[C@@H]1CN2CCN1CCC2)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000614504678 492034182 /nfs/dbraw/zinc/03/41/82/492034182.db2.gz XZHKCAIUFNULIR-GFCCVEGCSA-N -1 3 362.380 0.926 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)c2cnc3n2CCOC3)ccc1F ZINC000614680275 492047381 /nfs/dbraw/zinc/04/73/81/492047381.db2.gz KWCCOYHJVQWKLF-UHFFFAOYSA-N -1 3 354.363 0.713 10 0 FCAEHM COC(=O)CCS(=O)(=O)[N-]c1ccc2nc3n(c(=O)c2c1)CCC3 ZINC000603975376 492048195 /nfs/dbraw/zinc/04/81/95/492048195.db2.gz WCIVRTOTWWJKIT-UHFFFAOYSA-N -1 3 351.384 0.648 10 0 FCAEHM C[C@@H](NC(=O)c1nnn(C(C)(C)C)n1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614822211 492057631 /nfs/dbraw/zinc/05/76/31/492057631.db2.gz KRZCTGNBILVSFB-VHSXEESVSA-N -1 3 361.406 0.922 10 0 FCAEHM C[C@H](NC(=O)[C@H](O)C1CCOCC1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614823327 492057701 /nfs/dbraw/zinc/05/77/01/492057701.db2.gz PXEXXMNEBFYHCP-COPLHBTASA-N -1 3 351.403 0.654 10 0 FCAEHM CCOC(=O)[C@H](CNC(=O)CC[C@@H]1NC(=O)[N-]C1=O)Cc1ccccc1 ZINC000604471501 492061868 /nfs/dbraw/zinc/06/18/68/492061868.db2.gz ZWLPJZSMWMXCLR-KBPBESRZSA-N -1 3 361.398 0.513 10 0 FCAEHM O=C(NCCCc1cc(=O)[nH][n-]1)[C@@H](C[C@@H]1COCCO1)C(F)(F)F ZINC000614922761 492064307 /nfs/dbraw/zinc/06/43/07/492064307.db2.gz PGKVWIOJVOAPMZ-GHMZBOCLSA-N -1 3 351.325 0.743 10 0 FCAEHM C[C@@H]1CCN(C(=O)CC[C@@H]2NC(=O)[N-]C2=O)C[C@H]1C(=O)OC(C)(C)C ZINC000597802196 492067579 /nfs/dbraw/zinc/06/75/79/492067579.db2.gz FWPRNUNGXIAJPD-UTUOFQBUSA-N -1 3 353.419 0.801 10 0 FCAEHM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CC(CN2CCOCC2)C1 ZINC000615146815 492075801 /nfs/dbraw/zinc/07/58/01/492075801.db2.gz VYKCJBIEQXXXLQ-UHFFFAOYSA-N -1 3 373.457 0.775 10 0 FCAEHM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCOC[C@@H]1[C@@H]1CCCN1C ZINC000615267715 492083197 /nfs/dbraw/zinc/08/31/97/492083197.db2.gz YUVYXYFHDHMQCI-JKSUJKDBSA-N -1 3 373.457 0.916 10 0 FCAEHM COC(=O)[C@@H]1CCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2N)[C@@H]2CCCC[C@@H]12 ZINC000598166909 492087020 /nfs/dbraw/zinc/08/70/20/492087020.db2.gz IZZUZICXHAXILN-IVZWLZJFSA-N -1 3 350.375 0.664 10 0 FCAEHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CC(O)(CO)C1 ZINC000615427070 492089803 /nfs/dbraw/zinc/08/98/03/492089803.db2.gz JRXKRZHWKOJNPE-UHFFFAOYSA-N -1 3 353.172 0.470 10 0 FCAEHM Cc1nc(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccncc3)cc2)no1 ZINC000605369977 492092651 /nfs/dbraw/zinc/09/26/51/492092651.db2.gz PXVRGOCEEGRIHX-UHFFFAOYSA-N -1 3 373.394 0.926 10 0 FCAEHM Cc1nnc(CN2CCN(C(=O)c3cc(=O)c4ccccc4[n-]3)CC2)[nH]1 ZINC000605527013 492097466 /nfs/dbraw/zinc/09/74/66/492097466.db2.gz GSQFVNXFDULFAO-UHFFFAOYSA-N -1 3 352.398 0.913 10 0 FCAEHM COC(=O)[C@H]1C[C@@H](N(C)C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC000598430263 492097684 /nfs/dbraw/zinc/09/76/84/492097684.db2.gz FDELUVKHYKUAOZ-OCAPTIKFSA-N -1 3 374.191 0.121 10 0 FCAEHM Cn1cc(C(=O)NC[C@H](C(=O)OC(C)(C)C)C2CCC2)c(=O)[n-]c1=O ZINC000598576078 492105176 /nfs/dbraw/zinc/10/51/76/492105176.db2.gz UNZOSVLFOZGJQC-NSHDSACASA-N -1 3 351.403 0.974 10 0 FCAEHM CCCC(=O)N1CCC[C@@H](C(=O)NCc2nnc(C(=O)OCC)[n-]2)C1 ZINC000615918044 492106900 /nfs/dbraw/zinc/10/69/00/492106900.db2.gz QRYWRTMABAKILA-LLVKDONJSA-N -1 3 351.407 0.636 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)[C@H]2COc3cc(OC)ccc3C2)[n-]1 ZINC000615919254 492107137 /nfs/dbraw/zinc/10/71/37/492107137.db2.gz CEWWWVADLSQCLR-LLVKDONJSA-N -1 3 360.370 0.858 10 0 FCAEHM CCOC(=O)CCS(=O)(=O)[N-][C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC000598625921 492110099 /nfs/dbraw/zinc/11/00/99/492110099.db2.gz UNTUNDROEPWTRA-CYBMUJFWSA-N -1 3 361.441 0.529 10 0 FCAEHM COC(=O)[C@@H]1CCN(Cc2cc(=O)n3nc(N)[n-]c3n2)[C@@H]2CCCC[C@@H]12 ZINC000598627432 492110149 /nfs/dbraw/zinc/11/01/49/492110149.db2.gz SKTDXWMPJWJCDI-YNEHKIRRSA-N -1 3 360.418 0.384 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)CNC(=O)c2ccc(F)c(F)c2)[n-]1 ZINC000616029876 492115132 /nfs/dbraw/zinc/11/51/32/492115132.db2.gz KKTFSVFKQLEKDD-UHFFFAOYSA-N -1 3 367.312 0.306 10 0 FCAEHM COC(=O)C[C@](C)(NC(=O)CC[C@H]1NC(=O)[N-]C1=O)c1cccc(F)c1 ZINC000616172578 492119795 /nfs/dbraw/zinc/11/97/95/492119795.db2.gz WRVOWHNEFRFWAA-PXAZEXFGSA-N -1 3 365.361 0.708 10 0 FCAEHM C[C@](CO)(NC(=O)CN1CC(=O)[N-]C1=O)c1ccc(Br)cc1 ZINC000616832822 492145126 /nfs/dbraw/zinc/14/51/26/492145126.db2.gz WKZSBMPKGUKJJT-CQSZACIVSA-N -1 3 370.203 0.325 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]CC(=O)NC2CCCCC2)on1 ZINC000599225758 492145372 /nfs/dbraw/zinc/14/53/72/492145372.db2.gz NWLDGAUBDRJROB-UHFFFAOYSA-N -1 3 373.431 0.720 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@H](CCO)CSC)on1 ZINC000599243295 492148232 /nfs/dbraw/zinc/14/82/32/492148232.db2.gz IXMIYPPCXLOWML-SECBINFHSA-N -1 3 352.434 0.385 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@H]2CN(C3CC3)C[C@H]2C)on1 ZINC000599259800 492150335 /nfs/dbraw/zinc/15/03/35/492150335.db2.gz XBHXWWORTUISJI-YGRLFVJLSA-N -1 3 357.432 0.753 10 0 FCAEHM COC(=O)[C@@H](O)C[N-]S(=O)(=O)c1c(OC)cccc1OC(F)(F)F ZINC000599268966 492152212 /nfs/dbraw/zinc/15/22/12/492152212.db2.gz LIGHFJHYTHNLCK-ZETCQYMHSA-N -1 3 373.305 0.406 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]Cc2ccnc(N(C)C)n2)on1 ZINC000599271587 492152421 /nfs/dbraw/zinc/15/24/21/492152421.db2.gz HIRIWJJIYSRKMC-UHFFFAOYSA-N -1 3 369.403 0.327 10 0 FCAEHM CCOC(=O)[C@@](C)(O)C[N-]S(=O)(=O)C[C@@H](OC)c1ccc(F)cc1 ZINC000599277316 492153360 /nfs/dbraw/zinc/15/33/60/492153360.db2.gz LSCUWRJPHIRROT-HIFRSBDPSA-N -1 3 363.407 0.747 10 0 FCAEHM CCOC(=O)[C@](C)(O)C[N-]S(=O)(=O)C[C@@H](OC)c1ccc(F)cc1 ZINC000599277317 492153441 /nfs/dbraw/zinc/15/34/41/492153441.db2.gz LSCUWRJPHIRROT-UKRRQHHQSA-N -1 3 363.407 0.747 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H]2CCn3ccnc3C2)on1 ZINC000599281521 492153976 /nfs/dbraw/zinc/15/39/76/492153976.db2.gz VJWKHUKESRIYEB-SNVBAGLBSA-N -1 3 354.388 0.482 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@]2(CCOC)CCOC2)on1 ZINC000599291008 492155578 /nfs/dbraw/zinc/15/55/78/492155578.db2.gz HNBBHQLAARIKQF-CQSZACIVSA-N -1 3 362.404 0.466 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]Cc2cccn(CC)c2=O)on1 ZINC000599293201 492155756 /nfs/dbraw/zinc/15/57/56/492155756.db2.gz SEOGWGBTJDJGPJ-UHFFFAOYSA-N -1 3 369.399 0.653 10 0 FCAEHM CO[C@H](CNC(=O)CCNC(=O)c1ccc(C)cc1[O-])[C@H]1CCOC1 ZINC000617135981 492156516 /nfs/dbraw/zinc/15/65/16/492156516.db2.gz UOEHYBWURLAQAT-XJKSGUPXSA-N -1 3 350.415 0.988 10 0 FCAEHM CO[C@@H](CNC(=O)C[N-]S(=O)(=O)c1ccccc1F)[C@@H]1CCOC1 ZINC000617153032 492157691 /nfs/dbraw/zinc/15/76/91/492157691.db2.gz OZNPRDFXYXQROI-YPMHNXCESA-N -1 3 360.407 0.272 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NCc1ccnc(OCc2ccccc2)c1 ZINC000599310365 492158665 /nfs/dbraw/zinc/15/86/65/492158665.db2.gz WHNRUCWUHUABOR-UHFFFAOYSA-N -1 3 354.366 0.829 10 0 FCAEHM COC[C@@H](CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)OC ZINC000617231045 492160196 /nfs/dbraw/zinc/16/01/96/492160196.db2.gz DWZYBNJPFDLSHJ-WDEREUQCSA-N -1 3 350.462 0.583 10 0 FCAEHM COC[C@H](CCNC(=O)CNC(=O)c1c[n-]c2ccccc2c1=O)OC ZINC000617232899 492160476 /nfs/dbraw/zinc/16/04/76/492160476.db2.gz KCNXEXIBXYYETE-LBPRGKRZSA-N -1 3 361.398 0.426 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]Cc2ncccc2OC)on1 ZINC000599329258 492160788 /nfs/dbraw/zinc/16/07/88/492160788.db2.gz GEXJNBHSFIAWAH-UHFFFAOYSA-N -1 3 355.372 0.875 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](Cn3ccnn3)C2)c(C)o1 ZINC000617260122 492161487 /nfs/dbraw/zinc/16/14/87/492161487.db2.gz OHEOPAUQFOYNLQ-NSHDSACASA-N -1 3 353.404 0.250 10 0 FCAEHM C[C@]1(c2ccc(C(=O)N3CC[C@H](Cn4ccnn4)C3)cc2)NC(=O)[N-]C1=O ZINC000617260539 492161517 /nfs/dbraw/zinc/16/15/17/492161517.db2.gz WXZKVUKMDUGNFU-KPZWWZAWSA-N -1 3 368.397 0.495 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](COC)C2CCOCC2)c(C)o1 ZINC000617369537 492165536 /nfs/dbraw/zinc/16/55/36/492165536.db2.gz OJLLZMHQCWTGPJ-CYBMUJFWSA-N -1 3 360.432 0.668 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](COC)C2CCOCC2)c(C)o1 ZINC000617369538 492165651 /nfs/dbraw/zinc/16/56/51/492165651.db2.gz OJLLZMHQCWTGPJ-ZDUSSCGKSA-N -1 3 360.432 0.668 10 0 FCAEHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H](O)[C@H]1CCCO1 ZINC000599392313 492167245 /nfs/dbraw/zinc/16/72/45/492167245.db2.gz QPLPAVAGKBKNCG-NWDGAFQWSA-N -1 3 363.819 0.945 10 0 FCAEHM C[C@@H]1C[C@@H](NC(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)c2ncnn21 ZINC000617432936 492168501 /nfs/dbraw/zinc/16/85/01/492168501.db2.gz MIDBHSLMVMKFST-QMTHXVAHSA-N -1 3 366.381 0.672 10 0 FCAEHM CCN(CC)CCS(=O)(=O)[N-][C@@H](C[C@@H]1CCCOC1)C(=O)OC ZINC000599455661 492174921 /nfs/dbraw/zinc/17/49/21/492174921.db2.gz FCVWRHAQXZTPRY-KBPBESRZSA-N -1 3 350.481 0.606 10 0 FCAEHM CCn1cc(S(=O)(=O)[N-][C@H](C[C@H]2CCCOC2)C(=O)OC)nc1C ZINC000599457829 492175240 /nfs/dbraw/zinc/17/52/40/492175240.db2.gz WKLVKZRCEQZNII-CHWSQXEVSA-N -1 3 359.448 0.848 10 0 FCAEHM CCn1cc(S(=O)(=O)[N-][C@H](C[C@@H]2CCCOC2)C(=O)OC)nc1C ZINC000599457831 492175527 /nfs/dbraw/zinc/17/55/27/492175527.db2.gz WKLVKZRCEQZNII-QWHCGFSZSA-N -1 3 359.448 0.848 10 0 FCAEHM COC(=O)[C@H](C[C@@H]1CCCOC1)[N-]S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000599459036 492175748 /nfs/dbraw/zinc/17/57/48/492175748.db2.gz BMPYLDARPMWSAI-CRWXNKLISA-N -1 3 364.464 0.288 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]CCN(C)CC(F)F)on1 ZINC000599518570 492183110 /nfs/dbraw/zinc/18/31/10/492183110.db2.gz DMNXPBUPOONXBX-UHFFFAOYSA-N -1 3 355.363 0.468 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)N1CC[C@@H](O)C(F)(F)C1 ZINC000617814631 492193495 /nfs/dbraw/zinc/19/34/95/492193495.db2.gz HIQVFLQHVBAKCH-CYBMUJFWSA-N -1 3 365.336 0.486 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)Nc1ccc2c(c1)CCN(C)C2=O ZINC000618088048 492210722 /nfs/dbraw/zinc/21/07/22/492210722.db2.gz VCJAONJMKWLREA-UHFFFAOYSA-N -1 3 369.443 0.209 10 0 FCAEHM COC(=O)c1oc(C(=O)N2CCC[C@@H]2C[C@@]2(C)NC(=O)[N-]C2=O)cc1C ZINC000599933681 492218585 /nfs/dbraw/zinc/21/85/85/492218585.db2.gz IFLDBRWIIINMCO-BMLIUANNSA-N -1 3 363.370 0.967 10 0 FCAEHM COC(=O)Cc1n[n-]c(NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)n1 ZINC000609838565 492223843 /nfs/dbraw/zinc/22/38/43/492223843.db2.gz NIHQWXBWFLMYEX-LBPRGKRZSA-N -1 3 373.369 0.890 10 0 FCAEHM COC(=O)Cc1nnc(NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)[n-]1 ZINC000609838565 492223846 /nfs/dbraw/zinc/22/38/46/492223846.db2.gz NIHQWXBWFLMYEX-LBPRGKRZSA-N -1 3 373.369 0.890 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)n[n-]1 ZINC000609838565 492223848 /nfs/dbraw/zinc/22/38/48/492223848.db2.gz NIHQWXBWFLMYEX-LBPRGKRZSA-N -1 3 373.369 0.890 10 0 FCAEHM COC(=O)Cc1n[n-]c(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)n1 ZINC000609838564 492224148 /nfs/dbraw/zinc/22/41/48/492224148.db2.gz NIHQWXBWFLMYEX-GFCCVEGCSA-N -1 3 373.369 0.890 10 0 FCAEHM COC(=O)Cc1nnc(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)[n-]1 ZINC000609838564 492224150 /nfs/dbraw/zinc/22/41/50/492224150.db2.gz NIHQWXBWFLMYEX-GFCCVEGCSA-N -1 3 373.369 0.890 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)n[n-]1 ZINC000609838564 492224152 /nfs/dbraw/zinc/22/41/52/492224152.db2.gz NIHQWXBWFLMYEX-GFCCVEGCSA-N -1 3 373.369 0.890 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(C(=O)N[C@@H]3CCCN(C)C3)CC2)[n-]1 ZINC000618367319 492226245 /nfs/dbraw/zinc/22/62/45/492226245.db2.gz MQAAEHYNNXVYIA-CYBMUJFWSA-N -1 3 364.450 0.965 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(C(=O)N[C@@H]3CCCN(C)C3)CC2)n[n-]1 ZINC000618367319 492226249 /nfs/dbraw/zinc/22/62/49/492226249.db2.gz MQAAEHYNNXVYIA-CYBMUJFWSA-N -1 3 364.450 0.965 10 0 FCAEHM CCOC(=O)c1n[n-]c(C2CCN(C(=O)N[C@@H]3CCCN(C)C3)CC2)n1 ZINC000618367319 492226252 /nfs/dbraw/zinc/22/62/52/492226252.db2.gz MQAAEHYNNXVYIA-CYBMUJFWSA-N -1 3 364.450 0.965 10 0 FCAEHM C[C@]12COC[C@@H]1CN(C(=O)CC[N-]S(=O)(=O)c1ccccc1F)C2 ZINC000618727236 492236592 /nfs/dbraw/zinc/23/65/92/492236592.db2.gz RONHOCHTFWALRV-LRDDRELGSA-N -1 3 356.419 0.989 10 0 FCAEHM NC(=O)c1csc(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])n1 ZINC000618947420 492244731 /nfs/dbraw/zinc/24/47/31/492244731.db2.gz KHIPMLPYBMAICF-GFCCVEGCSA-N -1 3 374.422 0.869 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)NCC(O)(C1CC1)C1CC1 ZINC000619023990 492247395 /nfs/dbraw/zinc/24/73/95/492247395.db2.gz RGVZMMNVWGYMEE-UHFFFAOYSA-N -1 3 356.419 0.771 10 0 FCAEHM COC(=O)[C@]1(OC)CCN(C(=O)CCNC(=O)c2ccc(C)cc2[O-])C1 ZINC000600289080 492256832 /nfs/dbraw/zinc/25/68/32/492256832.db2.gz ANSXEOJSLKLOPA-SFHVURJKSA-N -1 3 364.398 0.611 10 0 FCAEHM Cn1cnn(CC(=O)Nc2cc(I)ccc2[O-])c1=O ZINC000611515440 492289436 /nfs/dbraw/zinc/28/94/36/492289436.db2.gz PLDJEBAEVCGJOH-UHFFFAOYSA-N -1 3 374.138 0.531 10 0 FCAEHM C(CN1CCC[C@H](N=c2[n-]c(C3CCOCC3)no2)C1)N1CCOCC1 ZINC000641717966 492298249 /nfs/dbraw/zinc/29/82/49/492298249.db2.gz IXXDQXJNFJQBKJ-INIZCTEOSA-N -1 3 365.478 0.594 10 0 FCAEHM COCC1(CNC(=O)NCc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)CC1 ZINC000654419948 492300330 /nfs/dbraw/zinc/30/03/30/492300330.db2.gz BQQHVMDXJZZCHR-QGZVFWFLSA-N -1 3 360.414 0.967 10 0 FCAEHM C[C@@H](CC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1)NC(N)=O ZINC000654422710 492301005 /nfs/dbraw/zinc/30/10/05/492301005.db2.gz MEWNSSYUBOVBGS-JTQLQIEISA-N -1 3 374.488 0.464 10 0 FCAEHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000654425128 492301131 /nfs/dbraw/zinc/30/11/31/492301131.db2.gz PARSNHBBDAEVDA-ZDUSSCGKSA-N -1 3 360.414 0.771 10 0 FCAEHM CN(C(=O)CCn1[n-]c(=O)c2ccccc2c1=O)[C@H]1CCCCN(C)C1=O ZINC000634146756 492322495 /nfs/dbraw/zinc/32/24/95/492322495.db2.gz OGMKCJNRHFEZMW-HNNXBMFYSA-N -1 3 372.425 0.962 10 0 FCAEHM C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000647581961 492323856 /nfs/dbraw/zinc/32/38/56/492323856.db2.gz VUCWVZZGOFWRIY-KBPBESRZSA-N -1 3 353.463 0.936 10 0 FCAEHM C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)C[C@@H]1C(=O)[O-] ZINC000647588159 492327539 /nfs/dbraw/zinc/32/75/39/492327539.db2.gz IMDMHFJANSIRLC-HZSPNIEDSA-N -1 3 353.463 0.792 10 0 FCAEHM CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000627518343 492329799 /nfs/dbraw/zinc/32/97/99/492329799.db2.gz FMKLFMBKORKVQI-KGLIPLIRSA-N -1 3 368.459 0.388 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CC3CC2(c2ccccc2)C3)c1 ZINC000621011907 492352614 /nfs/dbraw/zinc/35/26/14/492352614.db2.gz IEXVXOZIHGJYIE-UHFFFAOYSA-N -1 3 360.439 0.846 10 0 FCAEHM CN(C)CCn1nccc1[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000634657984 492359074 /nfs/dbraw/zinc/35/90/74/492359074.db2.gz LISWAMXECSSAEM-UHFFFAOYSA-N -1 3 366.369 0.998 10 0 FCAEHM CC(=O)Nc1ccc(S(=O)(=O)[N-]CCc2nnc3n2CCC3)c(F)c1 ZINC000642515233 492360672 /nfs/dbraw/zinc/36/06/72/492360672.db2.gz MQGQCDFKVAPFLA-UHFFFAOYSA-N -1 3 367.406 0.843 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC(CN2CCOCC2)C1 ZINC000647806063 492364092 /nfs/dbraw/zinc/36/40/92/492364092.db2.gz PYGURCQQMQHPQR-GFCCVEGCSA-N -1 3 373.500 0.206 10 0 FCAEHM Cn1cnnc1N1CCN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)CC1 ZINC000655289738 492424374 /nfs/dbraw/zinc/42/43/74/492424374.db2.gz UZGLKINBWUXQTM-UHFFFAOYSA-N -1 3 374.351 0.897 10 0 FCAEHM O=C(Nc1n[n-]c(-c2ccccc2F)n1)C1(n2cnnn2)CCOCC1 ZINC000621853522 492426851 /nfs/dbraw/zinc/42/68/51/492426851.db2.gz KPMNOEQGGQQUCG-UHFFFAOYSA-N -1 3 358.337 0.742 10 0 FCAEHM C[C@]1(c2ccc(C(=O)N3CCN(CCCF)CC3)cc2)NC(=O)[N-]C1=O ZINC000627959605 492427262 /nfs/dbraw/zinc/42/72/62/492427262.db2.gz SKUKMJQCHDRCKH-GOSISDBHSA-N -1 3 362.405 0.859 10 0 FCAEHM CS(=O)(=O)[N-]c1cc(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)ccc1F ZINC000655298609 492430226 /nfs/dbraw/zinc/43/02/26/492430226.db2.gz RMDAIHHXYMBHBH-NWDGAFQWSA-N -1 3 357.407 0.088 10 0 FCAEHM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)o1 ZINC000655299928 492431812 /nfs/dbraw/zinc/43/18/12/492431812.db2.gz UELKCFHHUOEOEM-NWDGAFQWSA-N -1 3 371.459 0.247 10 0 FCAEHM O=C(Nc1nnc(SCCO)[n-]1)[C@@H]1OCCO[C@@H]1c1ccccc1 ZINC000621915496 492432512 /nfs/dbraw/zinc/43/25/12/492432512.db2.gz DOWXROGKKJHDJS-VXGBXAGGSA-N -1 3 350.400 0.984 10 0 FCAEHM O=C(Nc1nc(SCCO)n[n-]1)[C@@H]1OCCO[C@@H]1c1ccccc1 ZINC000621915496 492432516 /nfs/dbraw/zinc/43/25/16/492432516.db2.gz DOWXROGKKJHDJS-VXGBXAGGSA-N -1 3 350.400 0.984 10 0 FCAEHM O=C(Nc1n[n-]c(SCCO)n1)[C@@H]1OCCO[C@@H]1c1ccccc1 ZINC000621915496 492432519 /nfs/dbraw/zinc/43/25/19/492432519.db2.gz DOWXROGKKJHDJS-VXGBXAGGSA-N -1 3 350.400 0.984 10 0 FCAEHM CN(C)CCOc1cc(CNC(=O)c2c[n-]n3c2nccc3=O)ccn1 ZINC000621936345 492434362 /nfs/dbraw/zinc/43/43/62/492434362.db2.gz CFBUSFXYSSCWLJ-UHFFFAOYSA-N -1 3 356.386 0.288 10 0 FCAEHM CC[C@H](NC(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1)[C@@H]1CCCCO1 ZINC000655344594 492436746 /nfs/dbraw/zinc/43/67/46/492436746.db2.gz KQXPXGPKFZKHKN-KBPBESRZSA-N -1 3 372.491 0.861 10 0 FCAEHM CC1(c2cc([N-]C(=O)c3nc(N)nc(N4CCOCC4)n3)no2)CCCC1 ZINC000621978069 492437742 /nfs/dbraw/zinc/43/77/42/492437742.db2.gz LIRXGVZLZSQEDW-UHFFFAOYSA-N -1 3 373.417 0.784 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CC[C@@H](O)CC12CCC2 ZINC000622114487 492455315 /nfs/dbraw/zinc/45/53/15/492455315.db2.gz SZJJVQLPUWGMGQ-GFCCVEGCSA-N -1 3 357.432 0.476 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NC[C@H](C)c1ccccn1 ZINC000622134422 492458322 /nfs/dbraw/zinc/45/83/22/492458322.db2.gz CXUOSVNCYLSBRC-JTQLQIEISA-N -1 3 352.416 0.885 10 0 FCAEHM CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622146323 492458958 /nfs/dbraw/zinc/45/89/58/492458958.db2.gz OPJPUVRNFWEAFY-QWRGUYRKSA-N -1 3 353.318 0.953 10 0 FCAEHM CO[C@H](C)CS(=O)(=O)[N-]c1ccc([C@]2(C)NC(=O)N(C)C2=O)cc1 ZINC000655586651 492460238 /nfs/dbraw/zinc/46/02/38/492460238.db2.gz BMVKLAWDQJGHQL-BMIGLBTASA-N -1 3 355.416 0.860 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCO[C@@](C)(C(F)F)C1 ZINC000622187644 492465320 /nfs/dbraw/zinc/46/53/20/492465320.db2.gz ZDYGJMZJNJAGEZ-CYBMUJFWSA-N -1 3 367.374 0.452 10 0 FCAEHM Cn1cnc(CCCNC(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)n1 ZINC000648986006 492481256 /nfs/dbraw/zinc/48/12/56/492481256.db2.gz QEAJVYYZOXNSHR-UHFFFAOYSA-N -1 3 368.397 0.135 10 0 FCAEHM CSc1nc(=O)[n-]c(C)c1C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000649074398 492491196 /nfs/dbraw/zinc/49/11/96/492491196.db2.gz IDDDPGDSGOVIFL-SNVBAGLBSA-N -1 3 353.448 0.405 10 0 FCAEHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000649074937 492491366 /nfs/dbraw/zinc/49/13/66/492491366.db2.gz SIZDKHDFNMVEDQ-GFCCVEGCSA-N -1 3 363.462 0.980 10 0 FCAEHM O=C(Nc1ccc(=O)n(CCO)c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000649114700 492500753 /nfs/dbraw/zinc/50/07/53/492500753.db2.gz DTKXLSBGOJYXIH-HNNXBMFYSA-N -1 3 371.393 0.790 10 0 FCAEHM CC(C)[C@@H](CNC(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C)C(=O)[O-] ZINC000655982614 492503623 /nfs/dbraw/zinc/50/36/23/492503623.db2.gz XGFYICZMSPAVPD-JKSUJKDBSA-N -1 3 363.458 0.749 10 0 FCAEHM COc1cc(CNC(=O)C[C@@H]2NC(=O)[N-]C2=O)c(Br)cc1O ZINC000649195763 492510039 /nfs/dbraw/zinc/51/00/39/492510039.db2.gz VRSSHUHCBVZSQV-QMMMGPOBSA-N -1 3 372.175 0.378 10 0 FCAEHM CN1CCC2(CC1)CN(C(=O)c1ccc(-c3nc(=O)o[n-]3)cc1)CCO2 ZINC000649236346 492514167 /nfs/dbraw/zinc/51/41/67/492514167.db2.gz MVXZRCLMYOOSFK-UHFFFAOYSA-N -1 3 358.398 0.967 10 0 FCAEHM C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C[C@H]1C(=O)[O-] ZINC000656021072 492518886 /nfs/dbraw/zinc/51/88/86/492518886.db2.gz ZWACMFXRJVLJCB-TUVASFSCSA-N -1 3 351.447 0.689 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC(=O)CC(C)(C)C2)cn1C ZINC000628686403 492535515 /nfs/dbraw/zinc/53/55/15/492535515.db2.gz NSLOTKXQADRKPI-UHFFFAOYSA-N -1 3 356.448 0.225 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@H]1CCn2cncc2C1 ZINC000623299172 492540807 /nfs/dbraw/zinc/54/08/07/492540807.db2.gz RUSBOMHCZANQIX-RYUDHWBXSA-N -1 3 366.418 0.820 10 0 FCAEHM COc1ncc(Br)cc1CNC(=O)CN1CC(=O)[N-]C1=O ZINC000628795297 492547716 /nfs/dbraw/zinc/54/77/16/492547716.db2.gz WXSXQKQJCNWRLX-UHFFFAOYSA-N -1 3 357.164 0.021 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccc(F)c(F)c1)N[C@H]1COCCC1=O ZINC000628868147 492557233 /nfs/dbraw/zinc/55/72/33/492557233.db2.gz YMAMASHDRVWXHJ-LBPRGKRZSA-N -1 3 362.354 0.107 10 0 FCAEHM CCOc1ccncc1S(=O)(=O)[N-]CCCN(C)S(C)(=O)=O ZINC000649634343 492567470 /nfs/dbraw/zinc/56/74/70/492567470.db2.gz MAOGJQADLIUFNY-UHFFFAOYSA-N -1 3 351.450 0.040 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000629137385 492579786 /nfs/dbraw/zinc/57/97/86/492579786.db2.gz VHUVLHJHFUBUOM-MLGOLLRUSA-N -1 3 355.394 0.942 10 0 FCAEHM CC1(C)Cc2ccc(C(=O)N3CCC(NS(N)(=O)=O)CC3)c([O-])c2O1 ZINC000629184548 492585679 /nfs/dbraw/zinc/58/56/79/492585679.db2.gz AEOSGLQZZFVYBI-UHFFFAOYSA-N -1 3 369.443 0.503 10 0 FCAEHM CNS(=O)(=O)CCCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000629342701 492613450 /nfs/dbraw/zinc/61/34/50/492613450.db2.gz QYJMSWVAOXWZOT-CYBMUJFWSA-N -1 3 369.443 0.052 10 0 FCAEHM O=S(=O)([N-]CC(F)F)c1cccc(S(=O)(=O)N[C@@H]2CCOC2)c1 ZINC000656372461 492615032 /nfs/dbraw/zinc/61/50/32/492615032.db2.gz OXUKNEFFJCNIJR-SECBINFHSA-N -1 3 370.399 0.297 10 0 FCAEHM CNC(=O)Cc1ccc([N-]S(=O)(=O)CC2(OC)CCOCC2)cc1 ZINC000650160088 492617848 /nfs/dbraw/zinc/61/78/48/492617848.db2.gz DEJQOFFKKIBRHK-UHFFFAOYSA-N -1 3 356.444 0.912 10 0 FCAEHM CN(C)S(=O)(=O)N1CC(NC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000629531337 492639596 /nfs/dbraw/zinc/63/95/96/492639596.db2.gz HTIMXRZBVGPRCY-UHFFFAOYSA-N -1 3 359.423 0.461 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]c1cccnc1N1CCOCC1)[C@H]1CCOC1 ZINC000656728747 492646582 /nfs/dbraw/zinc/64/65/82/492646582.db2.gz XCOHXMPYTSXRHA-DZGCQCFKSA-N -1 3 371.459 0.711 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]c1cc(C)nn1-c1ncccn1)[C@@H]1CCOC1 ZINC000656728689 492646742 /nfs/dbraw/zinc/64/67/42/492646742.db2.gz QVOLQJVLRRIBJA-OLZOCXBDSA-N -1 3 367.431 0.764 10 0 FCAEHM C[C@]1(CCF)NC(=O)N(Cc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)C1=O ZINC000656800285 492649440 /nfs/dbraw/zinc/64/94/40/492649440.db2.gz NCUTXAWZYAOKEY-SJORKVTESA-N -1 3 362.361 0.911 10 0 FCAEHM CS(=O)(=O)NC[C@H]1COCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000629571397 492649497 /nfs/dbraw/zinc/64/94/97/492649497.db2.gz ULHYLRXSLBFYCN-ZDUSSCGKSA-N -1 3 374.434 0.631 10 0 FCAEHM CS(=O)(=O)NC[C@H]1COCCN1C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000629574552 492651779 /nfs/dbraw/zinc/65/17/79/492651779.db2.gz KHDFSZWLTRHBIT-AWEZNQCLSA-N -1 3 368.455 0.661 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]CC(=O)NCCc1ccccc1)[C@@H]1CCOC1 ZINC000656887184 492659692 /nfs/dbraw/zinc/65/96/92/492659692.db2.gz FCQBBPQYVQERIJ-CVEARBPZSA-N -1 3 370.471 0.316 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]CC(=O)NCCc1ccccc1)[C@@H]1CCOC1 ZINC000656887190 492659727 /nfs/dbraw/zinc/65/97/27/492659727.db2.gz FCQBBPQYVQERIJ-HZPDHXFCSA-N -1 3 370.471 0.316 10 0 FCAEHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)C[C@H](OC)[C@H]2CCOC2)[C@H]1n1cccn1 ZINC000656998197 492690707 /nfs/dbraw/zinc/69/07/07/492690707.db2.gz PJRLLUYWXNBINW-ARKGTOAJSA-N -1 3 373.475 0.573 10 0 FCAEHM CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)[N-][C@H]2CCNC2=O)s1 ZINC000657030582 492700759 /nfs/dbraw/zinc/70/07/59/492700759.db2.gz RDBIMZNDLPHTOS-NSHDSACASA-N -1 3 373.500 0.620 10 0 FCAEHM CC(C)(C)N1CC[C@@H]1C[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000657034334 492700931 /nfs/dbraw/zinc/70/09/31/492700931.db2.gz LDLUBINVMDQKHK-LLVKDONJSA-N -1 3 361.489 0.636 10 0 FCAEHM CCO[C@H](CS(=O)(=O)[N-][C@H]1CCN(CC(F)(F)F)C1=O)C1CC1 ZINC000624965373 492704273 /nfs/dbraw/zinc/70/42/73/492704273.db2.gz WUWFBPMLNBSYIT-WDEREUQCSA-N -1 3 358.382 0.884 10 0 FCAEHM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H](CO)C1CCC1 ZINC000657054351 492705037 /nfs/dbraw/zinc/70/50/37/492705037.db2.gz KQWDJNCOYWTONP-GFCCVEGCSA-N -1 3 362.473 0.376 10 0 FCAEHM O=S(=O)(N[C@H](CO)C1CCC1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000657056120 492705972 /nfs/dbraw/zinc/70/59/72/492705972.db2.gz JYTKOUNBOMNTMT-GFCCVEGCSA-N -1 3 357.823 0.959 10 0 FCAEHM O=S(=O)(N[C@H](CO)C1CCC1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000657056120 492705974 /nfs/dbraw/zinc/70/59/74/492705974.db2.gz JYTKOUNBOMNTMT-GFCCVEGCSA-N -1 3 357.823 0.959 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@H]1CCN(C2CCC2)C1=O ZINC000629928457 492706191 /nfs/dbraw/zinc/70/61/91/492706191.db2.gz BPUQSXWBKFFVJK-JQWIXIFHSA-N -1 3 371.484 0.685 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N[C@@H]1CCN(C2CCC2)C1=O ZINC000629931611 492707163 /nfs/dbraw/zinc/70/71/63/492707163.db2.gz LPODDFCSSDATME-OAHLLOKOSA-N -1 3 370.409 0.762 10 0 FCAEHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)c2ncnn21 ZINC000657069484 492709516 /nfs/dbraw/zinc/70/95/16/492709516.db2.gz WNMSPKCVLQUIFH-SCZZXKLOSA-N -1 3 357.417 0.061 10 0 FCAEHM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]Cc1nc(C(N)=O)co1 ZINC000657071302 492709564 /nfs/dbraw/zinc/70/95/64/492709564.db2.gz QKYMYTHMTLOTTC-GFCCVEGCSA-N -1 3 353.400 0.451 10 0 FCAEHM Cc1cc(N2CC[C@H]([N-]S(=O)(=O)[C@H]3COC(C)(C)C3)C2=O)n(C)n1 ZINC000625026494 492711813 /nfs/dbraw/zinc/71/18/13/492711813.db2.gz FETJUDYJFZFYHD-NEPJUHHUSA-N -1 3 356.448 0.321 10 0 FCAEHM CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]Cc1nnnn1C1CC1 ZINC000625023376 492712179 /nfs/dbraw/zinc/71/21/79/492712179.db2.gz DXOZXCSJXDBBBP-CQSZACIVSA-N -1 3 369.422 0.824 10 0 FCAEHM CCO[C@@H](CS(=O)(=O)[N-][C@H]1CCCN(c2ccn(C)n2)C1=O)C1CC1 ZINC000625025149 492712245 /nfs/dbraw/zinc/71/22/45/492712245.db2.gz UHSNHHWLONUGKU-KBPBESRZSA-N -1 3 370.475 0.650 10 0 FCAEHM CCO[C@@H](CS(=O)(=O)[N-][C@@H]1CCN(c2cc(C)nn2C)C1=O)C1CC1 ZINC000625026632 492712348 /nfs/dbraw/zinc/71/23/48/492712348.db2.gz FTWNPQFLBKAJNZ-KGLIPLIRSA-N -1 3 370.475 0.568 10 0 FCAEHM CC(C)(C)c1cc(CS(=O)(=O)[N-]C[C@@]2(OCCO)CCOC2)no1 ZINC000657086765 492712790 /nfs/dbraw/zinc/71/27/90/492712790.db2.gz NKXJIRYDUQVTEQ-HNNXBMFYSA-N -1 3 362.448 0.560 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]C[C@]1(OCCO)CCOC1)C1CCCCC1 ZINC000657090906 492714438 /nfs/dbraw/zinc/71/44/38/492714438.db2.gz QGQXQWGVWCWOIX-JKSUJKDBSA-N -1 3 365.492 0.669 10 0 FCAEHM CO[C@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)CC1Cc2ccccc2C1 ZINC000657101143 492720165 /nfs/dbraw/zinc/72/01/65/492720165.db2.gz QJUGZWIJTACWTC-CABCVRRESA-N -1 3 359.469 0.133 10 0 FCAEHM CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-][C@H](CO)c1cnn(C)c1 ZINC000625094657 492722727 /nfs/dbraw/zinc/72/27/27/492722727.db2.gz CFPGSYONTVKSPB-JKSUJKDBSA-N -1 3 371.434 0.770 10 0 FCAEHM O=S(=O)([N-]C[C@@]1(CCO)CCOC1)c1cnnn1-c1ccccc1 ZINC000625088970 492722962 /nfs/dbraw/zinc/72/29/62/492722962.db2.gz BKMFNTOYNIXJLX-OAHLLOKOSA-N -1 3 352.416 0.335 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-][C@H](CO)c1cnn(C)c1)c1ccc(F)cc1 ZINC000625096751 492723387 /nfs/dbraw/zinc/72/33/87/492723387.db2.gz RUUYYQGTJZQADT-CABCVRRESA-N -1 3 357.407 0.900 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-][C@H](C(N)=O)c2ccc(F)cc2)CCOCC1 ZINC000625126117 492727958 /nfs/dbraw/zinc/72/79/58/492727958.db2.gz OAGMYFRCZOPNEW-AWEZNQCLSA-N -1 3 374.434 0.857 10 0 FCAEHM O=C(NCC[C@]1(O)CCOC1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000651278184 492733453 /nfs/dbraw/zinc/73/34/53/492733453.db2.gz ORPRZDCHBVQEJO-SFHVURJKSA-N -1 3 363.414 0.401 10 0 FCAEHM CC[C@@](C)(NS(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C)C1CC1 ZINC000657178102 492738394 /nfs/dbraw/zinc/73/83/94/492738394.db2.gz LILDPZFPVWWINI-OAHLLOKOSA-N -1 3 352.416 0.891 10 0 FCAEHM NC(=O)COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@H](O)C12CCC2 ZINC000657187658 492739593 /nfs/dbraw/zinc/73/95/93/492739593.db2.gz PIHIHNMFTQMSFA-OLZOCXBDSA-N -1 3 374.846 0.786 10 0 FCAEHM CC1(C)C[C@@H](S(=O)(=O)[N-]C[C@H](N2CCOCC2)C(F)(F)F)CO1 ZINC000625215562 492740009 /nfs/dbraw/zinc/74/00/09/492740009.db2.gz XYAYOTSATISQJR-MNOVXSKESA-N -1 3 360.398 0.736 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cnnn1-c1ccccc1)C1(S(C)(=O)=O)CC1 ZINC000625212356 492740085 /nfs/dbraw/zinc/74/00/85/492740085.db2.gz HKJPCGROKBKBPB-LLVKDONJSA-N -1 3 370.456 0.511 10 0 FCAEHM Cn1nccc1[C@H](CO)[N-]S(=O)(=O)c1cccnc1OCC(F)F ZINC000625244527 492744330 /nfs/dbraw/zinc/74/43/30/492744330.db2.gz JGOCPKDMCCPACN-VIFPVBQESA-N -1 3 362.358 0.471 10 0 FCAEHM CN1C2(CCC2)COC[C@@]1(CO)C[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000625376670 492768257 /nfs/dbraw/zinc/76/82/57/492768257.db2.gz MFUBRTZEBKPGRA-ZBFHGGJFSA-N -1 3 362.492 0.091 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]CCCN2CCC[C@H]2C(N)=O)c(F)c1F ZINC000625378871 492768813 /nfs/dbraw/zinc/76/88/13/492768813.db2.gz VNYLWLJQCHOIAK-NSHDSACASA-N -1 3 361.414 0.891 10 0 FCAEHM COC1(CS(=O)(=O)[N-]C[C@@H]2CN(CC(C)C)CCO2)CCOCC1 ZINC000651515246 492772525 /nfs/dbraw/zinc/77/25/25/492772525.db2.gz ZNEWOHIOUPVRBC-OAHLLOKOSA-N -1 3 364.508 0.458 10 0 FCAEHM COC1(CS(=O)(=O)[N-]CC2(O)Cc3ccccc3C2)CCOCC1 ZINC000651573192 492784815 /nfs/dbraw/zinc/78/48/15/492784815.db2.gz QIBCUHZERSCVCY-UHFFFAOYSA-N -1 3 355.456 0.631 10 0 FCAEHM CCO[C@H]1C[C@](O)(C[N-]S(=O)(=O)CC2(OC)CCOCC2)C1(C)C ZINC000651666898 492804413 /nfs/dbraw/zinc/80/44/13/492804413.db2.gz RKKUKFYYTRLPPZ-BBRMVZONSA-N -1 3 365.492 0.668 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H](C)[C@H](O)C(F)(F)F ZINC000644738987 492804596 /nfs/dbraw/zinc/80/45/96/492804596.db2.gz BNVYVPWZIGGFFQ-LAEOZQHASA-N -1 3 372.340 0.920 10 0 FCAEHM C[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F)[C@@H](O)C(F)(F)F ZINC000644738990 492804737 /nfs/dbraw/zinc/80/47/37/492804737.db2.gz BNVYVPWZIGGFFQ-VHSKPIJISA-N -1 3 372.340 0.920 10 0 FCAEHM COCCOc1ccc(F)cc1S(=O)(=O)[N-]C[C@@H]1COCCN1C ZINC000625515826 492806667 /nfs/dbraw/zinc/80/66/67/492806667.db2.gz JMBJWGLFIKBBJM-CYBMUJFWSA-N -1 3 362.423 0.460 10 0 FCAEHM C[C@@H]1[C@H]([N-]S(=O)(=O)c2cnccc2C(F)(F)F)CCS1(=O)=O ZINC000625521736 492809781 /nfs/dbraw/zinc/80/97/81/492809781.db2.gz ONGFLZPSVYXVTJ-VXNVDRBHSA-N -1 3 358.363 0.954 10 0 FCAEHM COC1(CS(=O)(=O)[N-][C@H](C(N)=O)[C@H](C)c2ccccc2)CCOCC1 ZINC000651713849 492811938 /nfs/dbraw/zinc/81/19/38/492811938.db2.gz GXHCZDQSZGINQC-HIFRSBDPSA-N -1 3 370.471 0.759 10 0 FCAEHM CS(=O)(=O)N1CC[C@H](N=c2cc(-c3ccccc3)n3[n-]cnc3n2)C1 ZINC000631329397 492813991 /nfs/dbraw/zinc/81/39/91/492813991.db2.gz MCAVRBJFBPUTPO-ZDUSSCGKSA-N -1 3 358.427 0.659 10 0 FCAEHM COCCN(C)CCN1C[C@H](NC(=O)c2c([O-])cc(F)cc2F)CC1=O ZINC000644893952 492820379 /nfs/dbraw/zinc/82/03/79/492820379.db2.gz AEUGIAHUMIMTCQ-GFCCVEGCSA-N -1 3 371.384 0.579 10 0 FCAEHM CCc1ccncc1NC(=O)C(=O)N1CCC[C@@H]1C[C@@]1(C)NC(=O)[N-]C1=O ZINC000651791041 492823245 /nfs/dbraw/zinc/82/32/45/492823245.db2.gz VOVBNXNQILYZKV-KZULUSFZSA-N -1 3 373.413 0.562 10 0 FCAEHM O=C1CCc2cc(S(=O)(=O)[N-]CC[C@]3(O)CCOC3)c(F)cc2N1 ZINC000651839183 492831378 /nfs/dbraw/zinc/83/13/78/492831378.db2.gz XKEIWMYCNGEDHF-HNNXBMFYSA-N -1 3 358.391 0.530 10 0 FCAEHM Cc1cc(CS(=O)(=O)[N-]C[C@@H]2CN(Cc3ccncc3)CCO2)on1 ZINC000625620319 492843177 /nfs/dbraw/zinc/84/31/77/492843177.db2.gz RZLJJGPUHQXCPD-MRXNPFEDSA-N -1 3 366.443 0.698 10 0 FCAEHM CO[C@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)C1 ZINC000625668544 492855676 /nfs/dbraw/zinc/85/56/76/492855676.db2.gz YDGYTDJBXOUZAH-AOOOYVTPSA-N -1 3 351.421 0.933 10 0 FCAEHM Cn1cc(Br)c(C(=O)N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)n1 ZINC000651976434 492857541 /nfs/dbraw/zinc/85/75/41/492857541.db2.gz MEGCTNBHOWWIAC-MRVPVSSYSA-N -1 3 354.212 0.701 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]CC(=O)NC1CCCC1 ZINC000631836273 492859863 /nfs/dbraw/zinc/85/98/63/492859863.db2.gz RXQJTPGKVMUAEN-UHFFFAOYSA-N -1 3 354.354 0.776 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-][C@@H]1CCN(C2CCC2)C1=O)C1CCOCC1 ZINC000625689164 492860500 /nfs/dbraw/zinc/86/05/00/492860500.db2.gz BFWJSMACTADIKN-CABCVRRESA-N -1 3 360.476 0.501 10 0 FCAEHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H]2CCN(C3CCC3)C2=O)s1 ZINC000625694189 492863504 /nfs/dbraw/zinc/86/35/04/492863504.db2.gz YDUQYUREAIIYHG-JTQLQIEISA-N -1 3 358.445 0.533 10 0 FCAEHM CCN1C[C@H](S(=O)(=O)[N-]CC(=O)N2CCc3ccccc32)CC1=O ZINC000631880359 492868237 /nfs/dbraw/zinc/86/82/37/492868237.db2.gz SLILBNRCMBJARB-CYBMUJFWSA-N -1 3 351.428 0.116 10 0 FCAEHM COc1ccc([C@@H]2CCNC[C@@H]2[N-]S(=O)(=O)c2c(N)noc2C)cc1 ZINC000658392947 492870120 /nfs/dbraw/zinc/87/01/20/492870120.db2.gz VOXBKHLABCMGDH-KBPBESRZSA-N -1 3 366.443 0.998 10 0 FCAEHM O=C(C[N-]S(=O)(=O)C[C@H]1CNCCO1)Nc1cccc2ccccc21 ZINC000631916712 492882296 /nfs/dbraw/zinc/88/22/96/492882296.db2.gz CISZZTNQGVARLZ-CQSZACIVSA-N -1 3 363.439 0.686 10 0 FCAEHM CN1CCC[C@@H](N2CCN(S(=O)(=O)c3cc([O-])cc(F)c3)CC2)C1 ZINC000631975940 492902017 /nfs/dbraw/zinc/90/20/17/492902017.db2.gz NGTWPIZHUAOZMR-CQSZACIVSA-N -1 3 357.451 0.932 10 0 FCAEHM CN(C)CCN(CCOCCO)S(=O)(=O)c1cc([O-])cc(F)c1 ZINC000632008266 492909582 /nfs/dbraw/zinc/90/95/82/492909582.db2.gz MESOIYLKOLWWIE-UHFFFAOYSA-N -1 3 350.412 0.093 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@@H](C)CN2CCOCC2)coc1C(=O)N(C)C ZINC000645472137 492911796 /nfs/dbraw/zinc/91/17/96/492911796.db2.gz HSDBQMKSFSVBEU-NSHDSACASA-N -1 3 359.448 0.289 10 0 FCAEHM Cn1ccc(N2CCC[C@H]([N-]S(=O)(=O)C[C@H]3CCC3(F)F)C2=O)n1 ZINC000632038142 492915912 /nfs/dbraw/zinc/91/59/12/492915912.db2.gz PTMYMLSAHMWEMD-MNOVXSKESA-N -1 3 362.402 0.880 10 0 FCAEHM Cn1ccc(N2CCC[C@H]([N-]S(=O)(=O)C[C@@H]3CCC3(F)F)C2=O)n1 ZINC000632038143 492916508 /nfs/dbraw/zinc/91/65/08/492916508.db2.gz PTMYMLSAHMWEMD-QWRGUYRKSA-N -1 3 362.402 0.880 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@H](C)CN2CCN(C)CC2)coc1C(=O)N(C)C ZINC000645520668 492919328 /nfs/dbraw/zinc/91/93/28/492919328.db2.gz GAENHVXOALMKQY-GFCCVEGCSA-N -1 3 372.491 0.204 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@@H](C)CN2CCN(C)CC2)coc1C(=O)N(C)C ZINC000645520671 492919711 /nfs/dbraw/zinc/91/97/11/492919711.db2.gz GAENHVXOALMKQY-LBPRGKRZSA-N -1 3 372.491 0.204 10 0 FCAEHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)C[C@H]2CCC2(F)F)C(=O)N1c1cnn(C)c1 ZINC000632048536 492920228 /nfs/dbraw/zinc/92/02/28/492920228.db2.gz NEOGYMNHTSSQSJ-CKYFFXLPSA-N -1 3 362.402 0.879 10 0 FCAEHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)CCOC(C)(C)C)C(=O)N1c1cnn(C)c1 ZINC000632048796 492920294 /nfs/dbraw/zinc/92/02/94/492920294.db2.gz UJMPVZQYXBQDCB-DGCLKSJQSA-N -1 3 358.464 0.648 10 0 FCAEHM COC1(CS(=O)(=O)[N-][C@H]2CCN(C3CCOCC3)C2=O)CCCC1 ZINC000632063225 492921397 /nfs/dbraw/zinc/92/13/97/492921397.db2.gz YURIOODMTMZZTP-AWEZNQCLSA-N -1 3 360.476 0.645 10 0 FCAEHM C[C@@H]1C[C@H]([N-]S(=O)(=O)CCC[C@H]2CCOC2)C(=O)N1c1cnn(C)c1 ZINC000645573831 492930310 /nfs/dbraw/zinc/93/03/10/492930310.db2.gz ZDJFOZLTBJCSTR-IPYPFGDCSA-N -1 3 370.475 0.650 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@@H]2CC(=O)N(C(C)C)C2=O)coc1C(=O)N(C)C ZINC000645583534 492931890 /nfs/dbraw/zinc/93/18/90/492931890.db2.gz RYBUAWWQEHVXNE-SNVBAGLBSA-N -1 3 371.415 0.104 10 0 FCAEHM CCNC(=O)N1CC[C@H]([N-]S(=O)(=O)c2coc(C(=O)N(C)C)c2C)C1 ZINC000645605099 492939157 /nfs/dbraw/zinc/93/91/57/492939157.db2.gz ULDAJRHLVSPGPI-NSHDSACASA-N -1 3 372.447 0.372 10 0 FCAEHM COC[C@@H]([N-]S(=O)(=O)C[C@@H]1CN(C)CCO1)c1ccc(F)c(F)c1 ZINC000632180083 492945257 /nfs/dbraw/zinc/94/52/57/492945257.db2.gz LVIQHDUHMWDTTB-SWLSCSKDSA-N -1 3 364.414 0.902 10 0 FCAEHM O=C(NCCCNC(=O)c1cccc([O-])c1)c1cn(C[C@@H]2CCOC2)nn1 ZINC000626194062 492945654 /nfs/dbraw/zinc/94/56/54/492945654.db2.gz NANYVZNYKWIGMK-ZDUSSCGKSA-N -1 3 373.413 0.570 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@@H]2CCO[C@]3(CCOC3)C2)coc1C(=O)N(C)C ZINC000645638250 492952227 /nfs/dbraw/zinc/95/22/27/492952227.db2.gz JIBWKAJFWJYURM-MLGOLLRUSA-N -1 3 372.443 0.906 10 0 FCAEHM COc1ccccc1CCNC(=O)C[N-]S(=O)(=O)CC1(OC)CCC1 ZINC000632300951 492968809 /nfs/dbraw/zinc/96/88/09/492968809.db2.gz IFEALKYHLRWYGX-UHFFFAOYSA-N -1 3 370.471 0.842 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@@H](C)Cc2cnn(C)c2)coc1C(=O)N(C)C ZINC000645747708 492969342 /nfs/dbraw/zinc/96/93/42/492969342.db2.gz KSIDNXNUNBYXGL-JTQLQIEISA-N -1 3 354.432 0.933 10 0 FCAEHM CN1CCO[C@@H](CS(=O)(=O)[N-]C[C@@]2(C)OCCc3sccc32)C1 ZINC000632345877 492979281 /nfs/dbraw/zinc/97/92/81/492979281.db2.gz XDHKAOYKDDKIBE-IUODEOHRSA-N -1 3 360.501 0.786 10 0 FCAEHM CN1CCO[C@H](CS(=O)(=O)[N-]C[C@]2(C)OCCc3sccc32)C1 ZINC000632345879 492979559 /nfs/dbraw/zinc/97/95/59/492979559.db2.gz XDHKAOYKDDKIBE-WFASDCNBSA-N -1 3 360.501 0.786 10 0 FCAEHM CN1CCO[C@@H](CS(=O)(=O)[N-]C[C@]2(C)OCCc3sccc32)C1 ZINC000632345876 492979590 /nfs/dbraw/zinc/97/95/90/492979590.db2.gz XDHKAOYKDDKIBE-DOMZBBRYSA-N -1 3 360.501 0.786 10 0 FCAEHM CC(=O)Nc1ncc(S(=O)(=O)[N-]CC(C)(C)[C@]2(O)CCOC2)s1 ZINC000645839549 492981925 /nfs/dbraw/zinc/98/19/25/492981925.db2.gz ROEIJAMCNMYEKC-ZDUSSCGKSA-N -1 3 363.461 0.557 10 0 FCAEHM CCS(=O)(=O)CCC[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000632459224 493001941 /nfs/dbraw/zinc/00/19/41/493001941.db2.gz BVJYRZLPWALGCJ-UHFFFAOYSA-N -1 3 363.383 0.542 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000632477502 493006348 /nfs/dbraw/zinc/00/63/48/493006348.db2.gz GNVFVKBZWXQBRF-CYBMUJFWSA-N -1 3 373.500 0.309 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCC[C@@]1(O)CCOC1 ZINC000652804569 493020933 /nfs/dbraw/zinc/02/09/33/493020933.db2.gz BOHBYLKHAUPZPV-XHDPSFHLSA-N -1 3 360.407 0.150 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000652813566 493023123 /nfs/dbraw/zinc/02/31/23/493023123.db2.gz GUMCPXLERVRWDW-ARFHVFGLSA-N -1 3 372.425 0.086 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-][C@@H]1CCc2c(nnn2C)C1 ZINC000632538725 493024378 /nfs/dbraw/zinc/02/43/78/493024378.db2.gz UFZXAONIQALRNX-SSDOTTSWSA-N -1 3 364.353 0.403 10 0 FCAEHM C[C@H]1C[C@@H]1c1noc(CC2CCN(C(=O)CN3CC(=O)[N-]C3=O)CC2)n1 ZINC000652847726 493029216 /nfs/dbraw/zinc/02/92/16/493029216.db2.gz IPTMYJILCBLSDM-JQWIXIFHSA-N -1 3 361.402 0.526 10 0 FCAEHM Cn1cc([C@H]2[C@H](C(=O)[N-]c3nnc4[nH]cnn34)CC(=O)N2C(C)(C)C)cn1 ZINC000646266832 493034766 /nfs/dbraw/zinc/03/47/66/493034766.db2.gz VECRMRQQLXONPV-PWSUYJOCSA-N -1 3 371.405 0.513 10 0 FCAEHM C[C@@]1(C[N-]S(=O)(=O)[C@H]2CC(=O)N(C3CC3)C2)COc2ccccc2O1 ZINC000632589428 493038558 /nfs/dbraw/zinc/03/85/58/493038558.db2.gz NGPRNNVUGDIPNH-SUMWQHHRSA-N -1 3 366.439 0.899 10 0 FCAEHM O=C1C[C@H](S(=O)(=O)[N-]C[C@H](n2cccn2)C(F)(F)F)CN1C1CC1 ZINC000632589564 493038606 /nfs/dbraw/zinc/03/86/06/493038606.db2.gz RNMVSTPJCOYDCR-QWRGUYRKSA-N -1 3 366.365 0.669 10 0 FCAEHM CN1Cc2ccccc2[C@H]([N-]S(=O)(=O)[C@@H]2CC(=O)N(C3CC3)C2)C1=O ZINC000632595310 493040502 /nfs/dbraw/zinc/04/05/02/493040502.db2.gz DFUKQIOYYLJSIG-CJNGLKHVSA-N -1 3 363.439 0.382 10 0 FCAEHM Cc1nn2cc(Br)cnc2c1S(=O)(=O)[N-]CC1COC1 ZINC000632601132 493043294 /nfs/dbraw/zinc/04/32/94/493043294.db2.gz ZHZVIZVPSKAJNJ-UHFFFAOYSA-N -1 3 361.221 0.725 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CC[C@]2(CC2(F)F)C1 ZINC000653002928 493057898 /nfs/dbraw/zinc/05/78/98/493057898.db2.gz MXAIRMIPCMQXRJ-NSHDSACASA-N -1 3 364.146 0.969 10 0 FCAEHM Nc1nccc([C@@H]2CCCN(C(=O)CNC(=O)c3ccc([O-])cc3)C2)n1 ZINC000653030647 493062102 /nfs/dbraw/zinc/06/21/02/493062102.db2.gz RWLDYZUEANESDN-CYBMUJFWSA-N -1 3 355.398 0.731 10 0 FCAEHM O=S(=O)([N-]C1CN(c2ccncn2)C1)c1cccnc1OCC(F)F ZINC000632706001 493068236 /nfs/dbraw/zinc/06/82/36/493068236.db2.gz WQUDUOGBDXYNIF-UHFFFAOYSA-N -1 3 371.369 0.683 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)COCc2nccn2C)s1 ZINC000646613550 493068615 /nfs/dbraw/zinc/06/86/15/493068615.db2.gz MROGKNJIXYOFDN-UHFFFAOYSA-N -1 3 358.445 0.223 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(OCC(N)=O)c1)C1CCOCC1 ZINC000647123790 493167771 /nfs/dbraw/zinc/16/77/71/493167771.db2.gz YWJFVZSSLLQUEN-HNNXBMFYSA-N -1 3 372.443 0.734 10 0 FCAEHM CC(C)n1ncc2c1C[C@@H](NC(=O)NCc1nc(CN)cc(=O)[n-]1)CC2 ZINC000659484913 493191374 /nfs/dbraw/zinc/19/13/74/493191374.db2.gz ABYSMBAJPCRNKJ-LBPRGKRZSA-N -1 3 359.434 0.775 10 0 FCAEHM C[C@@H]1[C@@H](O)CCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000653947846 493196830 /nfs/dbraw/zinc/19/68/30/493196830.db2.gz RYZVHSGGNBKEIL-WBMJQRKESA-N -1 3 361.423 0.900 10 0 FCAEHM O=C(Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1)N1CC[C@H](O)C(F)(F)C1 ZINC000666514343 493197567 /nfs/dbraw/zinc/19/75/67/493197567.db2.gz YKIRWYDXBBZQET-NEPJUHHUSA-N -1 3 368.340 0.671 10 0 FCAEHM CC(C)CN1CCO[C@H](CNC(=O)CN2C[C@@H](C(=O)[O-])CC[C@H]2C)C1 ZINC000647367376 493197598 /nfs/dbraw/zinc/19/75/98/493197598.db2.gz SQOIXWXRGGVKSK-OWCLPIDISA-N -1 3 355.479 0.645 10 0 FCAEHM NCc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@H](C2CCC2)C2CCCC2)n1 ZINC000659628385 493222609 /nfs/dbraw/zinc/22/26/09/493222609.db2.gz BNUYKVFHQDFYHN-INIZCTEOSA-N -1 3 361.446 0.732 10 0 FCAEHM NCc1cc(=O)[n-]c(CNC(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)n1 ZINC000659631720 493224876 /nfs/dbraw/zinc/22/48/76/493224876.db2.gz ZVHPNJIUJANNAE-UHFFFAOYSA-N -1 3 372.433 0.273 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)N2C[C@H](O)CC(F)(F)C2)ccc1F ZINC000672769969 493248799 /nfs/dbraw/zinc/24/87/99/493248799.db2.gz UXMSIGVWGUIGQX-SECBINFHSA-N -1 3 367.349 0.968 10 0 FCAEHM Cc1cc(C(=O)N2CC[C@@H](N(C)Cc3cc(=O)[n-]c(N(C)C)n3)C2)nn1C ZINC000681934910 493249143 /nfs/dbraw/zinc/24/91/43/493249143.db2.gz ACKVVLWMYICYGM-CQSZACIVSA-N -1 3 373.461 0.637 10 0 FCAEHM C[C@]1(c2ccc(CNC(=O)N3CC[C@H](CC(N)=O)C3)cc2)NC(=O)[N-]C1=O ZINC000672816162 493255798 /nfs/dbraw/zinc/25/57/98/493255798.db2.gz KTSCOESMHNVIBM-KZULUSFZSA-N -1 3 373.413 0.148 10 0 FCAEHM CC(C)O[C@@]1(CS(=O)(=O)[N-]CC(=O)NCc2ccco2)CCOC1 ZINC000659885367 493297651 /nfs/dbraw/zinc/29/76/51/493297651.db2.gz QSLBNURHSWMMGZ-HNNXBMFYSA-N -1 3 360.432 0.399 10 0 FCAEHM CO[C@H](C[N-]S(=O)(=O)C[C@@]1(OC(C)C)CCOC1)[C@@H]1CCOC1 ZINC000659989635 493312351 /nfs/dbraw/zinc/31/23/51/493312351.db2.gz QBNOFFFXEJCROO-RBSFLKMASA-N -1 3 351.465 0.541 10 0 FCAEHM COc1cc(C[N-]S(=O)(=O)C2CN(C(=O)c3ccccc3)C2)on1 ZINC000660010546 493314633 /nfs/dbraw/zinc/31/46/33/493314633.db2.gz CINISMRGKAMDEL-UHFFFAOYSA-N -1 3 351.384 0.627 10 0 FCAEHM Cc1nnc(CCNC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)n1C ZINC000682841254 493322756 /nfs/dbraw/zinc/32/27/56/493322756.db2.gz NBBDDAGQQUZFTB-JTQLQIEISA-N -1 3 369.422 0.288 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@H](CO)c1ccc(F)cc1F)[C@H]1CCOC1 ZINC000660098678 493324445 /nfs/dbraw/zinc/32/44/45/493324445.db2.gz BMAZSUYBDLYQIP-COLVAYQJSA-N -1 3 365.398 0.969 10 0 FCAEHM Cn1nccc1[C@@H](CO)[N-]S(=O)(=O)c1cccc2c1OC(F)(F)O2 ZINC000668261850 493327755 /nfs/dbraw/zinc/32/77/55/493327755.db2.gz WNQJGPILSGTBJI-MRVPVSSYSA-N -1 3 361.326 0.754 10 0 FCAEHM O=C(CC[C@@H]1NC(=O)[N-]C1=O)NC[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC000682980006 493329244 /nfs/dbraw/zinc/32/92/44/493329244.db2.gz FQXWDCGDRSAINP-GWCFXTLKSA-N -1 3 355.341 0.220 10 0 FCAEHM C[C@@H]1C(=O)Nc2cc(C(=O)N3CCC[C@@H]3c3nc(=N)n(C)[n-]3)ccc2N1C ZINC000673441694 493329319 /nfs/dbraw/zinc/32/93/19/493329319.db2.gz AIDFXOCTIKCREC-QMTHXVAHSA-N -1 3 369.429 0.982 10 0 FCAEHM C[C@H]1C(=O)Nc2cc(C(=O)N3CCC[C@@H]3c3nc(=N)n(C)[n-]3)ccc2N1C ZINC000673441693 493329462 /nfs/dbraw/zinc/32/94/62/493329462.db2.gz AIDFXOCTIKCREC-IINYFYTJSA-N -1 3 369.429 0.982 10 0 FCAEHM C[C@H](O)[C@H]([N-]S(=O)(=O)c1ccc(S(C)(=O)=O)nc1)c1ccccc1 ZINC000660161758 493331419 /nfs/dbraw/zinc/33/14/19/493331419.db2.gz HMDMZASGNWBBGH-NHYWBVRUSA-N -1 3 370.452 0.886 10 0 FCAEHM CC(C)c1nc(S(=O)(=O)[N-]Cc2ncccc2S(C)(=O)=O)c[nH]1 ZINC000683763472 493370273 /nfs/dbraw/zinc/37/02/73/493370273.db2.gz SUXDOGAYIPDQPF-UHFFFAOYSA-N -1 3 358.445 0.810 10 0 FCAEHM COCCN(C(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)[C@@H]1CCOC1 ZINC000683891747 493377103 /nfs/dbraw/zinc/37/71/03/493377103.db2.gz MJJFQZRFOAUNNT-KDOFPFPSSA-N -1 3 361.398 0.619 10 0 FCAEHM COc1cccc(-c2nc(C(=O)N3CCC[C@@]4(C3)NC(=O)[N-]C4=O)no2)c1 ZINC000684078737 493392461 /nfs/dbraw/zinc/39/24/61/493392461.db2.gz JDYUAVCPUWGZKO-KRWDZBQOSA-N -1 3 371.353 0.559 10 0 FCAEHM COc1ccc(COCCC(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000684080266 493392497 /nfs/dbraw/zinc/39/24/97/493392497.db2.gz VPWQGBZEDSRRGR-SFHVURJKSA-N -1 3 361.398 0.803 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)NCC[C@H](COC)OC)s1 ZINC000661481339 493441346 /nfs/dbraw/zinc/44/13/46/493441346.db2.gz DROCFSWKMMUNKB-SNVBAGLBSA-N -1 3 365.477 0.507 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)NCC(C)(C)[C@H]2CCCCO2)c1 ZINC000675171644 493472090 /nfs/dbraw/zinc/47/20/90/493472090.db2.gz VLIHMBPKRAXRDW-GFCCVEGCSA-N -1 3 358.464 0.410 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)NCC(C)(C)[C@@H]2CCCCO2)c1 ZINC000675171645 493472313 /nfs/dbraw/zinc/47/23/13/493472313.db2.gz VLIHMBPKRAXRDW-LBPRGKRZSA-N -1 3 358.464 0.410 10 0 FCAEHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@H]2CCN=C3C2=NNN3C)c1 ZINC000669205106 493476232 /nfs/dbraw/zinc/47/62/32/493476232.db2.gz OSMXXVUMYIJQNG-JTQLQIEISA-N -1 3 364.431 0.529 10 0 FCAEHM Cc1cccc(OCCNC(=O)[C@H](C)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1 ZINC000662220361 493497414 /nfs/dbraw/zinc/49/74/14/493497414.db2.gz XVEAKGWMQMLCFR-QMTMVMCOSA-N -1 3 362.426 0.912 10 0 FCAEHM CCOCc1ccc(CNC(=O)CN2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1 ZINC000662219497 493497472 /nfs/dbraw/zinc/49/74/72/493497472.db2.gz AMNRRWXYCHSXSN-VQIMIIECSA-N -1 3 362.426 0.872 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@H](C)[C@H](F)C1 ZINC000669632390 493516056 /nfs/dbraw/zinc/51/60/56/493516056.db2.gz LYBBSTLAVLPPDE-GHMZBOCLSA-N -1 3 350.437 0.963 10 0 FCAEHM COc1ccc([C@H](CC(=O)NCc2nc(CN)cc(=O)[n-]2)NC(C)=O)cc1 ZINC000662753833 493538263 /nfs/dbraw/zinc/53/82/63/493538263.db2.gz XTGILYFLOQUMHS-HNNXBMFYSA-N -1 3 373.413 0.533 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)NCCC[C@H]2CCCC[C@H]2O)c1 ZINC000676400576 493549314 /nfs/dbraw/zinc/54/93/14/493549314.db2.gz RDOVNHBGAFKMME-CHWSQXEVSA-N -1 3 358.464 0.146 10 0 FCAEHM CCN1CC[C@@H](NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)C1=O ZINC000670169638 493550082 /nfs/dbraw/zinc/55/00/82/493550082.db2.gz TZHIDYMVDCJWEH-OAHLLOKOSA-N -1 3 369.425 0.810 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC[C@H]1CCCNC1=O ZINC000670430281 493566057 /nfs/dbraw/zinc/56/60/57/493566057.db2.gz OXSBUASBRAKVTK-WDEREUQCSA-N -1 3 357.407 0.135 10 0 FCAEHM CN(C1CC1)S(=O)(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000676893581 493577271 /nfs/dbraw/zinc/57/72/71/493577271.db2.gz ACNVFDLDYYWHHM-UHFFFAOYSA-N -1 3 373.909 0.608 10 0 FCAEHM Cn1c(=O)cc(N2CCC(C(=O)Nc3ccccc3[O-])CC2)n(C)c1=O ZINC000663358476 493585032 /nfs/dbraw/zinc/58/50/32/493585032.db2.gz FFFBLFPLYXLJHM-UHFFFAOYSA-N -1 3 358.398 0.645 10 0 FCAEHM CN(C)[C@]1(CNC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)CCSC1 ZINC000663622001 493605760 /nfs/dbraw/zinc/60/57/60/493605760.db2.gz TZJHDQYWOXTDJM-LRDDRELGSA-N -1 3 357.476 0.157 10 0 FCAEHM CC(C)[C@H]([N-]S(=O)(=O)CCCS(C)(=O)=O)[C@H](O)C(F)(F)F ZINC000670855243 493606492 /nfs/dbraw/zinc/60/64/92/493606492.db2.gz FNEMUYXUQPEZLI-IUCAKERBSA-N -1 3 355.400 0.288 10 0 FCAEHM O=C([O-])[C@H](CNC(=O)C(=O)N1CCC[C@H]1CN1CCCC1)C1CCC1 ZINC000663633360 493607262 /nfs/dbraw/zinc/60/72/62/493607262.db2.gz PGYNGOORQREDKS-LSDHHAIUSA-N -1 3 351.447 0.690 10 0 FCAEHM CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663633074 493607358 /nfs/dbraw/zinc/60/73/58/493607358.db2.gz NXCJSRSSTLAVML-HUUCEWRRSA-N -1 3 369.462 0.173 10 0 FCAEHM O=C([O-])[C@@H](CNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1)C1CCC1 ZINC000663636070 493608266 /nfs/dbraw/zinc/60/82/66/493608266.db2.gz VMTCXKITPUBMLU-GJZGRUSLSA-N -1 3 351.447 0.690 10 0 FCAEHM COc1ccc(C)cc1CN1CCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)CC1 ZINC000677847530 493619080 /nfs/dbraw/zinc/61/90/80/493619080.db2.gz HTCCCYZULNIEBB-AWEZNQCLSA-N -1 3 360.414 0.246 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC3(C2)CC(F)(F)C3)cn1C ZINC000677924220 493624576 /nfs/dbraw/zinc/62/45/76/493624576.db2.gz RGKWCOUZAUBTNK-UHFFFAOYSA-N -1 3 362.402 0.655 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CC[C@@]3(C2)CCCOC3)cn1C ZINC000671287694 493652939 /nfs/dbraw/zinc/65/29/39/493652939.db2.gz RKNVRIBLMLTSTC-OAHLLOKOSA-N -1 3 356.448 0.036 10 0 FCAEHM C[C@@]12COC[C@@H]1CN(C(=O)NCC[N-]S(=O)(=O)c1cccs1)C2 ZINC000664503091 493664212 /nfs/dbraw/zinc/66/42/12/493664212.db2.gz PTUODKIWOQIFAI-SMDDNHRTSA-N -1 3 359.473 0.704 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1cnccc1CO ZINC000679112557 493669485 /nfs/dbraw/zinc/66/94/85/493669485.db2.gz MVADSFVMCFGRIS-VIFPVBQESA-N -1 3 354.388 0.484 10 0 FCAEHM COc1ccc(-n2cc([O-])c(C(=O)N3CCN(CCN(C)C)CC3)n2)cc1 ZINC000679406938 493678683 /nfs/dbraw/zinc/67/86/83/493678683.db2.gz VNFAWRPBYVJSCX-UHFFFAOYSA-N -1 3 373.457 0.906 10 0 FCAEHM COc1ccc(C(=O)N2CCN(C)CC2)cc1[N-]S(=O)(=O)N1CCC1 ZINC000671659168 493701880 /nfs/dbraw/zinc/70/18/80/493701880.db2.gz LPUVJUYKVGIUDU-UHFFFAOYSA-N -1 3 368.459 0.445 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)Nc2cccc3cnncc32)cn1C ZINC000665453030 493715478 /nfs/dbraw/zinc/71/54/78/493715478.db2.gz XZASVJBRCFLZPS-UHFFFAOYSA-N -1 3 374.426 0.979 10 0 FCAEHM COC[C@H](CCNC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)OC ZINC000665521257 493720724 /nfs/dbraw/zinc/72/07/24/493720724.db2.gz OTOSHJZVNKUNOC-INIZCTEOSA-N -1 3 365.430 0.911 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H](CO)[C@@H]1CCCOC1 ZINC000665654053 493729270 /nfs/dbraw/zinc/72/92/70/493729270.db2.gz INRKDAGBJDZHCG-SCRDCRAPSA-N -1 3 374.434 0.396 10 0 FCAEHM NC(=O)C1([N-]S(=O)(=O)c2cccnc2C(F)(F)F)CCOCC1 ZINC000672391440 493762233 /nfs/dbraw/zinc/76/22/33/493762233.db2.gz YQYGMRVOYCNGMC-UHFFFAOYSA-N -1 3 353.322 0.413 10 0 FCAEHM O=C(NCCNC(=O)C1CC1)N[N-]C(=O)c1ccccc1Br ZINC000043309204 674344115 /nfs/dbraw/zinc/34/41/15/674344115.db2.gz FMIVEHKFYPOBQZ-UHFFFAOYSA-N -1 3 369.219 0.919 10 0 FCAEHM CN(C)c1nc(CN(C)[C@@H]2CCN(C(=O)[C@@H]3CCCOC3)C2)cc(=O)[n-]1 ZINC000276647982 522331559 /nfs/dbraw/zinc/33/15/59/522331559.db2.gz YAPCWLGWGKOPNY-UKRRQHHQSA-N -1 3 363.462 0.708 10 0 FCAEHM O=C([N-]c1nccn1-c1ccccc1)C(=O)NC[C@H]1CCCCN1CCO ZINC000411563929 534639806 /nfs/dbraw/zinc/63/98/06/534639806.db2.gz CKMJKHQOIRNZBA-MRXNPFEDSA-N -1 3 371.441 0.774 10 0 FCAEHM C[C@H](Oc1cccc(F)c1)C(=O)N1CCO[C@@H](CN(C)CC(=O)[O-])C1 ZINC000275623220 525949934 /nfs/dbraw/zinc/94/99/34/525949934.db2.gz JGJPQFUXQRIGFJ-WFASDCNBSA-N -1 3 354.378 0.837 10 0 FCAEHM COC[C@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000457075407 536510294 /nfs/dbraw/zinc/51/02/94/536510294.db2.gz IFYHFAHRYNBONQ-ZDUSSCGKSA-N -1 3 358.464 0.282 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCO[C@@H]([C@@H](C)O)C1 ZINC000411954445 528125924 /nfs/dbraw/zinc/12/59/24/528125924.db2.gz QXJQCWFCGIRFMV-GHMZBOCLSA-N -1 3 370.427 0.780 10 0 FCAEHM CCC[C@H](O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000412527714 528317478 /nfs/dbraw/zinc/31/74/78/528317478.db2.gz UCOUWHRPXGYJQC-DZKIICNBSA-N -1 3 350.415 0.635 10 0 FCAEHM CC(C)n1[nH]cnc1=NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000412909125 528534362 /nfs/dbraw/zinc/53/43/62/528534362.db2.gz BWWZIKJTLWAYOV-JTQLQIEISA-N -1 3 355.395 0.726 10 0 FCAEHM CN(C)C[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000436761671 535942548 /nfs/dbraw/zinc/94/25/48/535942548.db2.gz MYKXFGSTKQZQRF-LBPRGKRZSA-N -1 3 355.460 0.809 10 0 FCAEHM COC(=O)c1conc1C(C)(C)[N-]S(=O)(=O)c1cc(C)cnc1N ZINC000425235639 536850810 /nfs/dbraw/zinc/85/08/10/536850810.db2.gz ZLQLSUBHGAWKNJ-UHFFFAOYSA-N -1 3 354.388 0.960 10 0 FCAEHM COC(=O)c1conc1C(C)(C)[N-]S(=O)(=O)CC(C)(C)C(=O)OC ZINC000425231510 536851187 /nfs/dbraw/zinc/85/11/87/536851187.db2.gz NEXZCCIQARBUJX-UHFFFAOYSA-N -1 3 362.404 0.815 10 0 FCAEHM COc1cccc(S([O-])=CC(=O)N2CCN(CCN(C)C)CC2)c1 ZINC000424548149 536917646 /nfs/dbraw/zinc/91/76/46/536917646.db2.gz VSJKWTYTQOXRAI-DEOSSOPVSA-N -1 3 353.488 0.509 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-][C@@H]2CN(c3ccc(F)cc3)C2=O)C[C@H](C)O1 ZINC000329298642 546551711 /nfs/dbraw/zinc/55/17/11/546551711.db2.gz LNBZSIKNILRWTJ-UHIISALHSA-N -1 3 357.407 0.485 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-][C@@H]2CN(c3ccc(F)cc3)C2=O)C[C@@H](C)O1 ZINC000329298641 546552111 /nfs/dbraw/zinc/55/21/11/546552111.db2.gz LNBZSIKNILRWTJ-JTNHKYCSSA-N -1 3 357.407 0.485 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]CCCc2ncn(C)n2)cc1F ZINC000592068830 546606609 /nfs/dbraw/zinc/60/66/09/546606609.db2.gz HXKXKRIKDXZYIO-UHFFFAOYSA-N -1 3 356.379 0.652 10 0 FCAEHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@@H](CCF)C(=O)OC ZINC000593631329 546723072 /nfs/dbraw/zinc/72/30/72/546723072.db2.gz ATSIPAZWJRXFDB-JTQLQIEISA-N -1 3 351.327 0.792 10 0 FCAEHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](CCF)C(=O)OC ZINC000593631696 546724652 /nfs/dbraw/zinc/72/46/52/546724652.db2.gz FKLXZUHAZYDRBX-SNVBAGLBSA-N -1 3 351.327 0.792 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](OC)[C@@H]2CCOC2)cc1F ZINC000594802331 546827023 /nfs/dbraw/zinc/82/70/23/546827023.db2.gz NMKFLUDMFBNUFI-YGRLFVJLSA-N -1 3 361.391 0.942 10 0 FCAEHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C[C@@H](OC)[C@@H]1CCOC1 ZINC000594805319 546828867 /nfs/dbraw/zinc/82/88/67/546828867.db2.gz VHBKCNPVGVWFRJ-ZYHUDNBSSA-N -1 3 361.391 0.942 10 0 FCAEHM COC(=O)c1ccccc1CS(=O)(=O)[N-]C[C@@]1(OCCO)CCOC1 ZINC000594817969 546832186 /nfs/dbraw/zinc/83/21/86/546832186.db2.gz WTTXPWLTCXVLBK-INIZCTEOSA-N -1 3 373.427 0.061 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-][C@@H](CCSC)C(=O)N(C)C)[C@H]1CCOC1 ZINC000594778353 546833262 /nfs/dbraw/zinc/83/32/62/546833262.db2.gz IGVZNJRWLPSXFO-AVGNSLFASA-N -1 3 368.521 0.167 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC)c(C)o1 ZINC000276467951 546867244 /nfs/dbraw/zinc/86/72/44/546867244.db2.gz WWIAAPZOTSJHJA-MJVIPROJSA-N -1 3 370.427 0.910 10 0 FCAEHM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-][C@@H]2CCOC[C@@H]2C)c1 ZINC000277986229 546868168 /nfs/dbraw/zinc/86/81/68/546868168.db2.gz UGDQUZYIPIKDMU-GXFFZTMASA-N -1 3 371.411 0.963 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(-c2nc(CC(=O)N3CCCC3)no2)c(C)o1 ZINC000277856823 546868258 /nfs/dbraw/zinc/86/82/58/546868258.db2.gz LYSQYSKAEDPDNU-UHFFFAOYSA-N -1 3 354.388 0.711 10 0 FCAEHM C[C@@H]1CCCN(S(=O)(=O)NCC[N-]S(=O)(=O)c2cccs2)C1 ZINC000532617688 546884966 /nfs/dbraw/zinc/88/49/66/546884966.db2.gz KLCSLMKSIIHNIU-LLVKDONJSA-N -1 3 367.518 0.593 10 0 FCAEHM COc1ccc([C@@H](C)NC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)cc1F ZINC000546118972 547037916 /nfs/dbraw/zinc/03/79/16/547037916.db2.gz XUQGMTLJSVPBAI-SKDRFNHKSA-N -1 3 350.350 0.841 10 0 FCAEHM CNC(=O)[C@H](CO)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000551510338 547150848 /nfs/dbraw/zinc/15/08/48/547150848.db2.gz FOAAMPSDCMFANB-ZETCQYMHSA-N -1 3 371.640 0.488 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-][C@H]2CCN(S(=O)(=O)c3ccccc3)C2)c1 ZINC000553571811 547290648 /nfs/dbraw/zinc/29/06/48/547290648.db2.gz KOFGQBBTYRBHFB-LBPRGKRZSA-N -1 3 370.456 0.162 10 0 FCAEHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)s1 ZINC000553837666 547311655 /nfs/dbraw/zinc/31/16/55/547311655.db2.gz JBNSUSKPGGHHME-QNSHHTMESA-N -1 3 358.445 0.389 10 0 FCAEHM COc1ncc(C(=O)[N-]N2C(=O)[C@@H](C)N(C)C2=O)cc1Br ZINC000899036986 665924021 /nfs/dbraw/zinc/92/40/21/665924021.db2.gz AHUGQHMQGILIOA-ZCFIWIBFSA-N -1 3 357.164 0.780 10 0 FCAEHM Cc1n[n-]c(=S)n1CCNC(=O)c1ccnc(N2CCN(C)CC2)c1 ZINC000073941936 663198796 /nfs/dbraw/zinc/19/87/96/663198796.db2.gz QCWUJJHOIUQYMG-UHFFFAOYSA-N -1 3 361.475 0.826 10 0 FCAEHM Cn1cc(CNC(=O)N[N-]C(=O)c2ccccc2Br)nn1 ZINC000093059463 663231140 /nfs/dbraw/zinc/23/11/40/663231140.db2.gz FUSPOIKHEGWCKU-UHFFFAOYSA-N -1 3 353.180 0.722 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)CCOC[C@@H]3CCCO3)CC2)n1 ZINC000899499807 665943234 /nfs/dbraw/zinc/94/32/34/665943234.db2.gz FGAGZHDCGSVPPM-AWEZNQCLSA-N -1 3 350.419 0.725 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)[C@H](C)OC[C@H]3CCCO3)CC2)n1 ZINC000899501443 665943410 /nfs/dbraw/zinc/94/34/10/665943410.db2.gz VWRFJXFVXVQSOL-UONOGXRCSA-N -1 3 350.419 0.723 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CC[C@H]([C@H]2CCCO2)C1 ZINC000899623572 665948159 /nfs/dbraw/zinc/94/81/59/665948159.db2.gz RKWCAMGDHNATES-GXSJLCMTSA-N -1 3 372.219 0.739 10 0 FCAEHM C[C@@H](CO)[C@@H](C)[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866855652 663466636 /nfs/dbraw/zinc/46/66/36/663466636.db2.gz RNCUQEXFKWQRJF-NKWVEPMBSA-N -1 3 373.216 0.320 10 0 FCAEHM CCN1C[C@@H](S(=O)(=O)[N-][C@H]2CCN(c3ccc(C)cc3)C2=O)CC1=O ZINC000866869156 663471555 /nfs/dbraw/zinc/47/15/55/663471555.db2.gz GCENECWUDJDBJS-GJZGRUSLSA-N -1 3 365.455 0.641 10 0 FCAEHM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]CC[C@H](C)[S@](C)=O ZINC000751506929 665166217 /nfs/dbraw/zinc/16/62/17/665166217.db2.gz RWRQWJJGHZKBCQ-PPRQPISWSA-N -1 3 351.450 0.330 10 0 FCAEHM CCC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2cn(C)nc2Br)C1 ZINC000866964157 665252971 /nfs/dbraw/zinc/25/29/71/665252971.db2.gz HULLQFVNYGCSHS-MRVPVSSYSA-N -1 3 365.253 0.472 10 0 FCAEHM O=C([O-])[C@H]1CCCN(CC(=O)N2CCCC[C@@H]2CN2CCOCC2)C1 ZINC000911335063 666336418 /nfs/dbraw/zinc/33/64/18/666336418.db2.gz IFCRJUQFFPMKTI-JKSUJKDBSA-N -1 3 353.463 0.496 10 0 FCAEHM CN(C)CCN(C[C@H]1CCCO1)C(=O)CCCn1ccc(C(=O)[O-])n1 ZINC000911318573 666337808 /nfs/dbraw/zinc/33/78/08/666337808.db2.gz BINUBXDRSWSYHZ-CQSZACIVSA-N -1 3 352.435 0.931 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)N1C[C@H](CO)Cc2cccc(F)c21 ZINC000911689998 666371096 /nfs/dbraw/zinc/37/10/96/666371096.db2.gz LOJPLDJBXLDDGP-GFCCVEGCSA-N -1 3 374.434 0.279 10 0 FCAEHM CO[C@]1(C[N-]S(=O)(=O)c2cccc(Cl)c2F)CCS(=O)(=O)C1 ZINC000921465706 666448961 /nfs/dbraw/zinc/44/89/61/666448961.db2.gz MCWISELJICYWAP-LBPRGKRZSA-N -1 3 371.839 0.961 10 0 FCAEHM Cc1cc(F)c(S(=O)(=O)[N-]C(C)(C)CNS(C)(=O)=O)cc1F ZINC000921488710 666453939 /nfs/dbraw/zinc/45/39/39/666453939.db2.gz GNBOOOZBCFDPEF-UHFFFAOYSA-N -1 3 356.416 0.879 10 0 FCAEHM CCS(=O)(=O)c1ccc(S(=O)(=O)NN=c2nc(C)cc(C)[n-]2)cc1 ZINC000055545991 666543206 /nfs/dbraw/zinc/54/32/06/666543206.db2.gz WGXNTKJCQICJME-UHFFFAOYSA-N -1 3 370.456 0.614 10 0 FCAEHM COc1ncc(S(=O)(=O)[N-]CC[S@](=O)CC(F)(F)F)s1 ZINC000917168849 667062465 /nfs/dbraw/zinc/06/24/65/667062465.db2.gz IDONFMAZILTYRK-IBGZPJMESA-N -1 3 352.381 0.741 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cnn2c1OCC(C)(C)C2)[C@H](O)C(F)(F)F ZINC000918822423 667136906 /nfs/dbraw/zinc/13/69/06/667136906.db2.gz RAIARUISQMBXBU-CBAPKCEASA-N -1 3 357.354 0.892 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2C[C@@H]3COC[C@@H]3O2)c(F)c1 ZINC000921612650 667143467 /nfs/dbraw/zinc/14/34/67/667143467.db2.gz MVQRXZKWSPLMFM-MDZLAQPJSA-N -1 3 359.375 0.695 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2C[C@@H]3COC[C@@H]3O2)c(F)c1 ZINC000921612652 667143552 /nfs/dbraw/zinc/14/35/52/667143552.db2.gz MVQRXZKWSPLMFM-WZRBSPASSA-N -1 3 359.375 0.695 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]C[C@H]2C[C@@H]3COC[C@@H]3O2)c(Br)n1 ZINC000921614068 667144334 /nfs/dbraw/zinc/14/43/34/667144334.db2.gz MDFLXFKKOWPXOM-HLTSFMKQSA-N -1 3 366.237 0.265 10 0 FCAEHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000921617495 667144698 /nfs/dbraw/zinc/14/46/98/667144698.db2.gz IFLKGPDHUQODQG-XWIASGKRSA-N -1 3 359.375 0.695 10 0 FCAEHM O=S(=O)([N-]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(Br)cn1 ZINC000921617611 667146119 /nfs/dbraw/zinc/14/61/19/667146119.db2.gz KDTSVCATHXSCMF-MIMYLULJSA-N -1 3 363.233 0.926 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F)[C@H]1CN(C)CCN1C ZINC000919973611 667210278 /nfs/dbraw/zinc/21/02/78/667210278.db2.gz BZSAGINZMYFABC-VHSXEESVSA-N -1 3 369.413 0.352 10 0 FCAEHM CN1C[C@H](CC[N-]S(=O)(=O)c2ccc(Br)cn2)CC1=O ZINC000921066964 667264834 /nfs/dbraw/zinc/26/48/34/667264834.db2.gz CPABESYKYWQDCN-SECBINFHSA-N -1 3 362.249 0.991 10 0 FCAEHM CN1C[C@H](CC[N-]S(=O)(=O)c2cccc(Br)n2)CC1=O ZINC000921049326 667265739 /nfs/dbraw/zinc/26/57/39/667265739.db2.gz RIWOZUZENKHWCE-SECBINFHSA-N -1 3 362.249 0.991 10 0 FCAEHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OC1CCN(c2ccncn2)CC1 ZINC000752579952 667522024 /nfs/dbraw/zinc/52/20/24/667522024.db2.gz UKVGVCICIONVCG-CQSZACIVSA-N -1 3 370.475 0.953 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-]C2CSC2)c1I ZINC000921870694 667527202 /nfs/dbraw/zinc/52/72/02/667527202.db2.gz RKWRJNSXLLDSGM-UHFFFAOYSA-N -1 3 359.214 0.418 10 0 FCAEHM CCNC(=O)C1CN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C1 ZINC000754379276 667594606 /nfs/dbraw/zinc/59/46/06/667594606.db2.gz UNBWDGMHOYDYKS-UHFFFAOYSA-N -1 3 369.418 0.475 10 0 FCAEHM COC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H](CO)CC(F)F)s1 ZINC000758237294 667748920 /nfs/dbraw/zinc/74/89/20/667748920.db2.gz XWJMCHZQHQASPA-MRVPVSSYSA-N -1 3 372.415 0.941 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)OCCCCS(C)(=O)=O)ccc1F ZINC000759919176 667827575 /nfs/dbraw/zinc/82/75/75/667827575.db2.gz SPIGGLGOEPQVPY-UHFFFAOYSA-N -1 3 367.420 0.715 10 0 FCAEHM Cc1nc(S(=O)(=O)N2CCN(Cc3nc(C)cc(=O)[n-]3)CC2)cs1 ZINC000761875216 667896568 /nfs/dbraw/zinc/89/65/68/667896568.db2.gz GHZGKSTZHTWUQY-UHFFFAOYSA-N -1 3 369.472 0.762 10 0 FCAEHM COC(=O)c1sc2[n-]c(CN3CCOC[C@H]3CCO)nc(=O)c2c1C ZINC000762337695 667912810 /nfs/dbraw/zinc/91/28/10/667912810.db2.gz KQTCMNDHQZGINR-SNVBAGLBSA-N -1 3 367.427 0.663 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](CCO)C1CCOCC1 ZINC000763614079 667958598 /nfs/dbraw/zinc/95/85/98/667958598.db2.gz QBXVLPCHWSHRBS-LLVKDONJSA-N -1 3 351.856 0.838 10 0 FCAEHM CN(C)c1nc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc(=O)[n-]1 ZINC000765423819 668006351 /nfs/dbraw/zinc/00/63/51/668006351.db2.gz LFKFDHLYBCZRLJ-SNVBAGLBSA-N -1 3 351.407 0.987 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000774784856 668173440 /nfs/dbraw/zinc/17/34/40/668173440.db2.gz QPRYLCDBZSEJCQ-NXEZZACHSA-N -1 3 364.855 0.296 10 0 FCAEHM CN(C)c1nc(COC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)ns1 ZINC000771383312 668250501 /nfs/dbraw/zinc/25/05/01/668250501.db2.gz UJQGUDRQSRYXKS-SECBINFHSA-N -1 3 350.466 0.611 10 0 FCAEHM COCCO[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000776802882 668294176 /nfs/dbraw/zinc/29/41/76/668294176.db2.gz RYNOMFMTIJOTAE-MNOVXSKESA-N -1 3 367.855 0.481 10 0 FCAEHM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cccc(CN2CCCC2)c1 ZINC000805916328 668872831 /nfs/dbraw/zinc/87/28/31/668872831.db2.gz WTTHQNYVYZMTDD-GFCCVEGCSA-N -1 3 354.428 0.904 10 0 FCAEHM CCOCCOC[C@@H](O)C[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000790947351 668884649 /nfs/dbraw/zinc/88/46/49/668884649.db2.gz YFBQVJQXSXSMAC-JTQLQIEISA-N -1 3 355.844 0.074 10 0 FCAEHM COc1ncc(COC(=O)C[N-]S(=O)(=O)c2c(C)noc2C)c(C)n1 ZINC000798573693 669246508 /nfs/dbraw/zinc/24/65/08/669246508.db2.gz HWIWNFKTLFXFRY-UHFFFAOYSA-N -1 3 370.387 0.420 10 0 FCAEHM CC(=O)N1CSC[C@@H]1C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000799021220 669275904 /nfs/dbraw/zinc/27/59/04/669275904.db2.gz QXFWFZMRPFDLHN-LLVKDONJSA-N -1 3 367.393 0.825 10 0 FCAEHM O=C(/C=C/c1cnccn1)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000799408301 669296963 /nfs/dbraw/zinc/29/69/63/669296963.db2.gz MUAIRGJJYJVAPD-DUXPYHPUSA-N -1 3 368.365 0.863 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)o1 ZINC000511326532 669341115 /nfs/dbraw/zinc/34/11/15/669341115.db2.gz NDHVATXFTQYBRX-VXGBXAGGSA-N -1 3 350.462 0.974 10 0 FCAEHM O=C(OCCC[C@@H]1CCOC1)c1ccc(S(=O)(=O)[N-]CCO)s1 ZINC000828872726 669674121 /nfs/dbraw/zinc/67/41/21/669674121.db2.gz YSCIXLQJGKMUJL-LLVKDONJSA-N -1 3 363.457 0.992 10 0 FCAEHM COCCOC[C@H](O)CN1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000829902783 669732421 /nfs/dbraw/zinc/73/24/21/669732421.db2.gz QDKBYMRPGJKJKA-RVMXOQNASA-N -1 3 356.385 0.788 10 0 FCAEHM COC(=O)[C@@H](CF)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000813691180 669849089 /nfs/dbraw/zinc/84/90/89/669849089.db2.gz URYABMJKTBQKDL-LLVKDONJSA-N -1 3 364.370 0.753 10 0 FCAEHM COC(=O)[C@@H](CF)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000813689068 669849095 /nfs/dbraw/zinc/84/90/95/669849095.db2.gz CXCWUSKSWXSASP-LLVKDONJSA-N -1 3 362.354 0.507 10 0 FCAEHM CCN1CCN(CC[N-]S(=O)(=O)N=[S@](C)(=O)c2ccccc2)CC1 ZINC000867149569 670018571 /nfs/dbraw/zinc/01/85/71/670018571.db2.gz ZTRBWGFWEKCZHC-HSZRJFAPSA-N -1 3 374.532 0.615 10 0 FCAEHM COC(=O)c1ccoc1S(=O)(=O)[N-]CCCN1CCCO[C@H](C)C1 ZINC000867190254 670058069 /nfs/dbraw/zinc/05/80/69/670058069.db2.gz AQBJFRCHRJUDJF-GFCCVEGCSA-N -1 3 360.432 0.845 10 0 FCAEHM CCOC1CC(C[N-]S(=O)(=O)c2ccc(C)nn2)(N2CCOCC2)C1 ZINC000867195188 670062574 /nfs/dbraw/zinc/06/25/74/670062574.db2.gz DIJWNBVRWXRMAZ-UHFFFAOYSA-N -1 3 370.475 0.333 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]C[C@H](CO)[C@@H]2CCOC2)c(Br)n1 ZINC000867220997 670087848 /nfs/dbraw/zinc/08/78/48/670087848.db2.gz VEHMJENOEWMWAF-RKDXNWHRSA-N -1 3 368.253 0.106 10 0 FCAEHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](CO)c2ccnn2C)c1 ZINC000841544503 670587795 /nfs/dbraw/zinc/58/77/95/670587795.db2.gz LPRIMUOAYSISEV-GFCCVEGCSA-N -1 3 371.390 0.748 10 0 FCAEHM Cn1nccc1[C@H](CO)[N-]S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000841544279 670587895 /nfs/dbraw/zinc/58/78/95/670587895.db2.gz KFACMDYQFNPXIE-ZETCQYMHSA-N -1 3 361.836 0.795 10 0 FCAEHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](CO)c2ccnn2C)c1 ZINC000841545471 670588904 /nfs/dbraw/zinc/58/89/04/670588904.db2.gz YHNXDMCNHFPMLB-NSHDSACASA-N -1 3 357.363 0.358 10 0 FCAEHM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@@H]21 ZINC000867273299 670610524 /nfs/dbraw/zinc/61/05/24/670610524.db2.gz CLDDYGLBAIQJRX-NJKWTTEGSA-N -1 3 351.494 0.586 10 0 FCAEHM CC(C)n1ncnc1C[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867275124 670613144 /nfs/dbraw/zinc/61/31/44/670613144.db2.gz SOXGAHFCQDZBFO-UHFFFAOYSA-N -1 3 363.241 0.834 10 0 FCAEHM COCC[C@@H](COC)[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867281893 670621685 /nfs/dbraw/zinc/62/16/85/670621685.db2.gz KKRQKBNYSTUDRC-QMMMGPOBSA-N -1 3 356.242 0.512 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-]C[C@@H]2CCCCN2CCO)c1C(F)(F)F ZINC000867328396 670834599 /nfs/dbraw/zinc/83/45/99/670834599.db2.gz VWYDERUJEPCXOU-JTQLQIEISA-N -1 3 370.397 0.564 10 0 FCAEHM O=S(=O)([N-]C[C@H]1CCCCN1CCO)c1nc[nH]c1Br ZINC000867328502 670835630 /nfs/dbraw/zinc/83/56/30/670835630.db2.gz YVRAZVVHUMAVKL-SECBINFHSA-N -1 3 367.269 0.297 10 0 FCAEHM C[C@@H](CC(=O)N1CC(C)(C(N)=O)C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000843941800 670872191 /nfs/dbraw/zinc/87/21/91/670872191.db2.gz UZSUMRKDJMZPBU-VIFPVBQESA-N -1 3 374.850 0.126 10 0 FCAEHM C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000844033529 670885086 /nfs/dbraw/zinc/88/50/86/670885086.db2.gz FKRSKAOKYYGRGM-VIFPVBQESA-N -1 3 352.357 0.022 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]CC(C)(C)[C@@H]2COCC23OCCO3)nn1 ZINC000867386774 671026572 /nfs/dbraw/zinc/02/65/72/671026572.db2.gz WXMZCWGUGPXFQC-LBPRGKRZSA-N -1 3 357.432 0.479 10 0 FCAEHM COC(=O)[C@H]1C[C@@H]([N-]S(=O)(=O)c2cn(C)nc2Br)C1 ZINC000867405210 671087581 /nfs/dbraw/zinc/08/75/81/671087581.db2.gz IGTRCXBSJBJZAK-KNVOCYPGSA-N -1 3 352.210 0.413 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@@H](CO)[C@@H]2CCCOC2)c(Br)n1 ZINC000867407524 671092602 /nfs/dbraw/zinc/09/26/02/671092602.db2.gz UPJDWIVIRPLRDB-BDAKNGLRSA-N -1 3 368.253 0.248 10 0 FCAEHM C[C@H](CC(=O)N[C@H]1C[C@@H](C(N)=O)C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000846439691 671110847 /nfs/dbraw/zinc/11/08/47/671110847.db2.gz YJQCVLPIWQHCQS-BBBLOLIVSA-N -1 3 374.850 0.172 10 0 FCAEHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@H](CO)c1ccnn1C ZINC000849397971 671336560 /nfs/dbraw/zinc/33/65/60/671336560.db2.gz HRBSEKHTXWOPIL-MRVPVSSYSA-N -1 3 374.806 0.267 10 0 FCAEHM O=S(=O)([N-]C[C@]1(OCCO)CCOC1)c1cnc(Cl)c(F)c1 ZINC000849427872 671342225 /nfs/dbraw/zinc/34/22/25/671342225.db2.gz QMQIICMPCMDUFT-GFCCVEGCSA-N -1 3 354.787 0.320 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)OC[C@H](OC)[C@@H]2CCOC2)ccc1F ZINC000849739375 671361266 /nfs/dbraw/zinc/36/12/66/671361266.db2.gz AYPDTYASBIPWSK-YPMHNXCESA-N -1 3 361.391 0.942 10 0 FCAEHM C[C@H]1CC[C@H](NC(=O)NCc2nc(C(F)(F)F)n[n-]2)CS1(=O)=O ZINC000854004936 671563742 /nfs/dbraw/zinc/56/37/42/671563742.db2.gz LTYLGFDEJMBVOG-BQBZGAKWSA-N -1 3 355.342 0.588 10 0 FCAEHM COC(OC)[C@H](C)NC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC000854465721 671579854 /nfs/dbraw/zinc/57/98/54/671579854.db2.gz YSMLOCXBZDIZDW-VIFPVBQESA-N -1 3 351.334 0.611 10 0 FCAEHM COC(OC)[C@H](C)NC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000854465721 671579856 /nfs/dbraw/zinc/57/98/56/671579856.db2.gz YSMLOCXBZDIZDW-VIFPVBQESA-N -1 3 351.334 0.611 10 0 FCAEHM CS(=O)(=O)CC1([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)COC1 ZINC000903176338 675918548 /nfs/dbraw/zinc/91/85/48/675918548.db2.gz NPQGELAJCHASCA-UHFFFAOYSA-N -1 3 359.347 0.196 10 0 FCAEHM NC(=O)[C@]1([N-]C(=O)C(F)(F)n2cc(-c3ccccc3)nn2)CCOC1 ZINC000855053758 671625575 /nfs/dbraw/zinc/62/55/75/671625575.db2.gz QHFUCFMJNIEKQP-AWEZNQCLSA-N -1 3 351.313 0.255 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](O)C(F)(F)C2)ccc1F ZINC000855446293 671643199 /nfs/dbraw/zinc/64/31/99/671643199.db2.gz VEORCFLDNVLDFQ-LLVKDONJSA-N -1 3 352.334 0.576 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](O)C(F)(F)C2)ccc1F ZINC000855446294 671643217 /nfs/dbraw/zinc/64/32/17/671643217.db2.gz VEORCFLDNVLDFQ-NSHDSACASA-N -1 3 352.334 0.576 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC3CC2(C(=O)OC)C3)ccc1F ZINC000855520219 671650948 /nfs/dbraw/zinc/65/09/48/671650948.db2.gz KQYAPTOQROYWFG-UHFFFAOYSA-N -1 3 356.375 0.511 10 0 FCAEHM CN(OCC(F)(F)F)C(=O)CNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000857427704 671728131 /nfs/dbraw/zinc/72/81/31/671728131.db2.gz GPVSEWOBDDDAEM-UHFFFAOYSA-N -1 3 359.260 0.252 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]C2(C(=O)NC)CCCC2)on1 ZINC000858933841 671784148 /nfs/dbraw/zinc/78/41/48/671784148.db2.gz TUKDQSIPKNDASL-UHFFFAOYSA-N -1 3 359.404 0.330 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]C[C@@H](O)c2ccccn2)on1 ZINC000859095013 671793219 /nfs/dbraw/zinc/79/32/19/671793219.db2.gz LNQKPCBHCRUUEH-CYBMUJFWSA-N -1 3 355.372 0.399 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]C[C@@H]2COC3(CCCC3)O2)on1 ZINC000859094954 671793358 /nfs/dbraw/zinc/79/33/58/671793358.db2.gz ZVVVJCHZYQQCTL-GFCCVEGCSA-N -1 3 374.415 0.956 10 0 FCAEHM CCON(CC)C(=O)C[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000859273503 671807015 /nfs/dbraw/zinc/80/70/15/671807015.db2.gz OVIDKPRLXCMVBU-UHFFFAOYSA-N -1 3 366.237 0.922 10 0 FCAEHM CCON(CC)C(=O)C[N-]S(=O)(=O)C[C@]1(OC(C)C)CCOC1 ZINC000859272220 671806469 /nfs/dbraw/zinc/80/64/69/671806469.db2.gz OKFPCMMHVSWBJN-AWEZNQCLSA-N -1 3 352.453 0.290 10 0 FCAEHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]C[C@H]2COCCN2C)c1 ZINC000859335168 671816032 /nfs/dbraw/zinc/81/60/32/671816032.db2.gz PRDMYSMWZMPPMZ-LBPRGKRZSA-N -1 3 360.407 0.530 10 0 FCAEHM Cn1cc(CCOC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)nn1 ZINC000859491052 671831182 /nfs/dbraw/zinc/83/11/82/671831182.db2.gz RPGJIIUATBOORY-UHFFFAOYSA-N -1 3 368.390 0.794 10 0 FCAEHM CC(C)(C)OC(=O)C(=O)COC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C ZINC000859600285 671839166 /nfs/dbraw/zinc/83/91/66/671839166.db2.gz VUCNNOJIMDLTGH-JTQLQIEISA-N -1 3 351.421 0.404 10 0 FCAEHM COc1ccc(C(=O)[N-]C(=O)CN2CC[C@H]3CC[C@@H](C2)[S@]3=O)cc1 ZINC000859885070 671850965 /nfs/dbraw/zinc/85/09/65/671850965.db2.gz CELQMOWAHBKOHR-IYPVNNRCSA-N -1 3 350.440 0.937 10 0 FCAEHM NC(=O)[C@H]1C[C@H](NC(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)C1 ZINC000862819529 672079587 /nfs/dbraw/zinc/07/95/87/672079587.db2.gz SPOWLLYJTVEFAF-XWEPSHTISA-N -1 3 373.381 0.399 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCCc2cnc(OC)nc2)c(C)o1 ZINC000863444523 672128073 /nfs/dbraw/zinc/12/80/73/672128073.db2.gz YWHATJZGOVEUOW-UHFFFAOYSA-N -1 3 354.388 0.267 10 0 FCAEHM O=C([N-]C[C@@H](n1cccn1)C(F)(F)F)C(F)(F)C(=O)N1CCOCC1 ZINC000863493565 672131470 /nfs/dbraw/zinc/13/14/70/672131470.db2.gz LNYLBCAWINRKOX-SECBINFHSA-N -1 3 370.278 0.597 10 0 FCAEHM O=C(C[N-]S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1)OCc1ccccc1 ZINC000866393250 672270408 /nfs/dbraw/zinc/27/04/08/672270408.db2.gz BMVIKVZMDSURED-AWEZNQCLSA-N -1 3 352.412 0.413 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc(N3CCO[C@@H](C)C3)nc2)nn1 ZINC000866501024 672278662 /nfs/dbraw/zinc/27/86/62/672278662.db2.gz XNNGSLBMPZQFKD-ZDUSSCGKSA-N -1 3 363.443 0.884 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CCNC(=O)C(C)(C)C)c(Br)n1 ZINC000866682210 672287901 /nfs/dbraw/zinc/28/79/01/672287901.db2.gz KPNSJESMDUWQJD-UHFFFAOYSA-N -1 3 367.269 0.623 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CCC(=O)NC(C)(C)C)c(Br)n1 ZINC000866727894 672293237 /nfs/dbraw/zinc/29/32/37/672293237.db2.gz NADHUXPGQMMWMW-UHFFFAOYSA-N -1 3 367.269 0.766 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@H]2CCCS(=O)(=O)C2)c(Br)n1 ZINC000866775356 672303309 /nfs/dbraw/zinc/30/33/09/672303309.db2.gz BGLVMTLXQKFIOR-ZETCQYMHSA-N -1 3 372.266 0.038 10 0 FCAEHM CC[S@@](C)(=O)=NS(=O)(=O)[N-]C1CCN(C[C@H]2CCCO2)CC1 ZINC000866794203 672306784 /nfs/dbraw/zinc/30/67/84/672306784.db2.gz UKFZTCJZDHWYJQ-LRTDBIEQSA-N -1 3 353.510 0.582 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@@H]2CCC(=O)N(C)C2)c(Br)n1 ZINC000866823791 672313510 /nfs/dbraw/zinc/31/35/10/672313510.db2.gz PJPHUMBGJCSDEZ-SSDOTTSWSA-N -1 3 351.226 0.082 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@H]2CS(=O)(=O)C2(C)C)c(Br)n1 ZINC000867444883 672316732 /nfs/dbraw/zinc/31/67/32/672316732.db2.gz UBDBONJLVHQDHG-ZETCQYMHSA-N -1 3 372.266 0.037 10 0 FCAEHM CC[C@@H](O)C[N-]S(=O)(=O)c1cnn(C)c1I ZINC000867513830 672329258 /nfs/dbraw/zinc/32/92/58/672329258.db2.gz LCAGJBVYGGJQLE-ZCFIWIBFSA-N -1 3 359.189 0.074 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-][C@H]2C[C@H](O)C23CCC3)c1Br ZINC000867518839 672330023 /nfs/dbraw/zinc/33/00/23/672330023.db2.gz HXPGETCXOCYJFG-IUCAKERBSA-N -1 3 350.238 0.764 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2O)c1I ZINC000867677571 672354647 /nfs/dbraw/zinc/35/46/47/672354647.db2.gz PUUDCMAIIFKIMG-BQBZGAKWSA-N -1 3 371.200 0.216 10 0 FCAEHM Cc1cc(F)c(S(=O)(=O)[N-]C[C@@]23COC(=O)N2CCOC3)cc1F ZINC000867749302 672362825 /nfs/dbraw/zinc/36/28/25/672362825.db2.gz MKKRCTSRFOYZMH-CQSZACIVSA-N -1 3 362.354 0.773 10 0 FCAEHM C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]Cc1ncc(Br)s1 ZINC000867862762 672374618 /nfs/dbraw/zinc/37/46/18/672374618.db2.gz GEMAVAZFWDEPLO-LURJTMIESA-N -1 3 356.267 0.802 10 0 FCAEHM CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000868335543 672394101 /nfs/dbraw/zinc/39/41/01/672394101.db2.gz GBYICVYPFDREKM-CYBMUJFWSA-N -1 3 367.471 0.962 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)[C@]34CCC(=O)N3CCS4)CC2)n1 ZINC000924299733 673749723 /nfs/dbraw/zinc/74/97/23/673749723.db2.gz GCFXRYJCJKIYEC-MRXNPFEDSA-N -1 3 363.443 0.205 10 0 FCAEHM COc1cc(C(=O)N[C@@H]2CCN(C)[C@@H]2C)cc([N-]S(C)(=O)=O)c1OC ZINC000928447659 673910171 /nfs/dbraw/zinc/91/01/71/673910171.db2.gz LDRHQSTWBRBKBH-ZYHUDNBSSA-N -1 3 371.459 0.898 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@]2(OC)CCSC2)ccc1F ZINC000928497154 673912405 /nfs/dbraw/zinc/91/24/05/673912405.db2.gz XILVFPJRZMRXGM-CQSZACIVSA-N -1 3 362.448 0.986 10 0 FCAEHM COc1cc(C(=O)OC[C@@H]2CCN(S(C)(=O)=O)C2)cc(OC)c1[O-] ZINC000801294303 675768823 /nfs/dbraw/zinc/76/88/23/675768823.db2.gz RDAPVPCQQWXMSK-SNVBAGLBSA-N -1 3 359.400 0.848 10 0 FCAEHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cc(N2CCOCC2)ncn1 ZINC001625779850 1167743062 /nfs/dbraw/zinc/74/30/62/1167743062.db2.gz VYICJLCIGPLOCO-UHFFFAOYSA-N -1 3 357.296 0.380 10 0 FCAEHM CO[C@H](C)CC(=O)N1CC[C@@H]2CN(C(=O)c3c(C)nc[n-]c3=O)C[C@@H]2C1 ZINC001719582796 1168447594 /nfs/dbraw/zinc/44/75/94/1168447594.db2.gz HYQHUHSIZBWISA-BNOWGMLFSA-N -1 3 362.430 0.836 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)N(C)CCOCCN(C)C(=O)c1cnc[n-]c1=O ZINC001719588458 1168470519 /nfs/dbraw/zinc/47/05/19/1168470519.db2.gz XCDQCVDSXFLDBF-CHWSQXEVSA-N -1 3 350.419 0.775 10 0 FCAEHM Cc1nc(C)c(CCC(=O)NCCCC2N=NC(=S)N2C)c(=O)[n-]1 ZINC001648822836 1168964684 /nfs/dbraw/zinc/96/46/84/1168964684.db2.gz XAPSKQTYEFJRIE-UHFFFAOYSA-N -1 3 350.448 0.898 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)CCOCC(F)F)CCN1C(=O)c1cnc[n-]c1=O ZINC001719616794 1170401488 /nfs/dbraw/zinc/40/14/88/1170401488.db2.gz ZUAAMFMVGIOMCZ-KOLCDFICSA-N -1 3 358.345 0.573 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)CCOC1CCOCC1 ZINC001719627257 1170841741 /nfs/dbraw/zinc/84/17/41/1170841741.db2.gz QAZZNYGNJPIXAL-YPMHNXCESA-N -1 3 351.407 0.110 10 0 FCAEHM C[C@@H](CNC(=O)C[C@@H]1C[C@H]1Cc1ccccc1)NCc1nc(=O)n(C)[n-]1 ZINC001266956172 1171078507 /nfs/dbraw/zinc/07/85/07/1171078507.db2.gz NFERIHGDJLBPMW-IMJJTQAJSA-N -1 3 357.458 0.972 10 0 FCAEHM Cn1[n-]c(CNC[C@@](C)(NC(=O)[C@@H]2CCO[C@H]2C2CC2)C2CC2)nc1=O ZINC001267855205 1183115473 /nfs/dbraw/zinc/11/54/73/1183115473.db2.gz DIFMWHKUQFXACM-QIIPPGSGSA-N -1 3 363.462 0.298 10 0 FCAEHM CN(CCC1CCN(C(=O)[C@]23C[C@H]2COC3)CC1)Cc1nc(=O)n(C)[n-]1 ZINC001271771978 1190695148 /nfs/dbraw/zinc/69/51/48/1190695148.db2.gz FMCPXUCKZCBEKM-KSSFIOAISA-N -1 3 363.462 0.205 10 0 FCAEHM CC(C)(C)C(=O)C(=O)N[C@]12CCC[C@H]1CN(C(=O)c1cnc[n-]c1=O)C2 ZINC001719945132 1191228025 /nfs/dbraw/zinc/22/80/25/1191228025.db2.gz MSUWZUQALWIGMH-VOJFVSQTSA-N -1 3 360.414 0.908 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)[C@@]3(C4CCCC4)CCNC3=O)CC2)n1 ZINC000899495273 1194162425 /nfs/dbraw/zinc/16/24/25/1194162425.db2.gz RVXRCCFBQRMETB-LJQANCHMSA-N -1 3 373.457 0.836 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)CCCn3ccccc3=O)CC2)n1 ZINC000899500649 1194163880 /nfs/dbraw/zinc/16/38/80/1194163880.db2.gz MOFYNQLDSYUTDO-UHFFFAOYSA-N -1 3 357.414 0.781 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)[C@H]3Cc4ccccc4C(=O)O3)CC2)n1 ZINC000899499612 1194164163 /nfs/dbraw/zinc/16/41/63/1194164163.db2.gz AICFEQZWVWKIHR-OAHLLOKOSA-N -1 3 368.393 0.921 10 0 FCAEHM CCN1CCN(c2ccc(C(=O)N3CCC[C@H](O)[C@@H]3C(=O)[O-])cc2)CC1 ZINC000911629912 1196305138 /nfs/dbraw/zinc/30/51/38/1196305138.db2.gz GWJJWJPEIWZWIW-DLBZAZTESA-N -1 3 361.442 0.879 10 0 FCAEHM O=C(Cn1cc(C(=O)NCCCc2c[n-][nH]c2=O)cn1)NC1CCCC1 ZINC001168403446 1196700919 /nfs/dbraw/zinc/70/09/19/1196700919.db2.gz IPDHWFIXJSLGOK-GFCCVEGCSA-N -1 3 360.418 0.184 10 0 FCAEHM O=C(NCc1ncccc1[O-])C(=O)Nc1ccc(CN2CCOC2=O)cc1 ZINC000792412997 1201191903 /nfs/dbraw/zinc/19/19/03/1201191903.db2.gz KVUAZRCSCCZDOZ-UHFFFAOYSA-N -1 3 370.365 0.994 10 0 FCAEHM CN1CCN(c2ccc(NC(=O)CCCn3c(=O)[n-][nH]c3=O)cc2)CC1 ZINC001135223302 1203052745 /nfs/dbraw/zinc/05/27/45/1203052745.db2.gz FCYXQSFLHUNRGZ-UHFFFAOYSA-N -1 3 360.418 0.860 10 0 FCAEHM CNC(=O)[C@H]1CCN(C(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])C1 ZINC000817641622 1203110910 /nfs/dbraw/zinc/11/09/10/1203110910.db2.gz YOWZDFKZVDUGOA-JTQLQIEISA-N -1 3 360.345 0.082 10 0 FCAEHM CNC(=O)[C@H]1CCN(C(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)C1 ZINC000817641622 1203110912 /nfs/dbraw/zinc/11/09/12/1203110912.db2.gz YOWZDFKZVDUGOA-JTQLQIEISA-N -1 3 360.345 0.082 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)Cn1nc(-c2ccccc2)ccc1=O ZINC001144225640 1204438264 /nfs/dbraw/zinc/43/82/64/1204438264.db2.gz CCASPONWWRCPQB-AWEZNQCLSA-N -1 3 353.382 0.539 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O ZINC001144227277 1204438276 /nfs/dbraw/zinc/43/82/76/1204438276.db2.gz SOEOROWZUDPBRQ-ACJLOTCBSA-N -1 3 371.397 0.082 10 0 FCAEHM O=C(NCC[C@]1(O)CCOC1)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC000846443125 1204629013 /nfs/dbraw/zinc/62/90/13/1204629013.db2.gz WMGNKPSDGDOXMD-KRWDZBQOSA-N -1 3 363.345 0.145 10 0 FCAEHM O=C(NCC[C@]1(O)CCOC1)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000846443125 1204629016 /nfs/dbraw/zinc/62/90/16/1204629016.db2.gz WMGNKPSDGDOXMD-KRWDZBQOSA-N -1 3 363.345 0.145 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCN(C(C)(C)C(N)=O)CC2)c1 ZINC001147909418 1204815145 /nfs/dbraw/zinc/81/51/45/1204815145.db2.gz CKSULURSRQKSCO-UHFFFAOYSA-N -1 3 360.414 0.538 10 0 FCAEHM Nc1c(C(=O)N2CCC(Cc3nnn[n-]3)CC2)cnn1-c1ccccn1 ZINC001176780652 1206319789 /nfs/dbraw/zinc/31/97/89/1206319789.db2.gz WVQFYDHNZHKJQQ-UHFFFAOYSA-N -1 3 353.390 0.458 10 0 FCAEHM Nc1c(C(=O)N2CCC(Cc3nn[n-]n3)CC2)cnn1-c1ccccn1 ZINC001176780652 1206319791 /nfs/dbraw/zinc/31/97/91/1206319791.db2.gz WVQFYDHNZHKJQQ-UHFFFAOYSA-N -1 3 353.390 0.458 10 0 FCAEHM COc1cc(COCC(=O)N2CCN(c3nc(C)cc(=O)[n-]3)CC2)ccn1 ZINC001178043367 1206351934 /nfs/dbraw/zinc/35/19/34/1206351934.db2.gz RKHNSWKRRNDQDS-UHFFFAOYSA-N -1 3 373.413 0.760 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NCCO[C@@H]1CCOC1 ZINC001178645341 1206360945 /nfs/dbraw/zinc/36/09/45/1206360945.db2.gz OQDLOQKWDRKJSN-OAHLLOKOSA-N -1 3 372.425 0.995 10 0 FCAEHM O=C(CN1CC[C@H](c2nnn[n-]2)C1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC001197297892 1208150629 /nfs/dbraw/zinc/15/06/29/1208150629.db2.gz SFDUDBDFTIIHKJ-ZFWWWQNUSA-N -1 3 360.393 0.728 10 0 FCAEHM O=C(CN1CC[C@H](c2nn[n-]n2)C1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC001197297892 1208150632 /nfs/dbraw/zinc/15/06/32/1208150632.db2.gz SFDUDBDFTIIHKJ-ZFWWWQNUSA-N -1 3 360.393 0.728 10 0 FCAEHM Cn1nccc1[C@@H]1C[C@H]1C(=O)NC[C@@H](NC(=O)c1cn[n-]n1)C(C)(C)C ZINC001488506605 1208526768 /nfs/dbraw/zinc/52/67/68/1208526768.db2.gz HQCSUNXOLYQRCD-JTNHKYCSSA-N -1 3 359.434 0.603 10 0 FCAEHM CN(C)C(=O)CCCC(=O)NC[C@H]1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001488962835 1208588429 /nfs/dbraw/zinc/58/84/29/1208588429.db2.gz YAPNUNJYLITJEZ-NWDGAFQWSA-N -1 3 352.439 0.143 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@H]1CCN(Cc2ncnn2C)[C@@H]1C ZINC001489276607 1208754250 /nfs/dbraw/zinc/75/42/50/1208754250.db2.gz TYUATUPXRFETFX-OCCSQVGLSA-N -1 3 359.434 0.331 10 0 FCAEHM C[C@@H](Oc1ccccn1)C(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1O ZINC001489376931 1208800349 /nfs/dbraw/zinc/80/03/49/1208800349.db2.gz GDSPFOVDUPCPMO-XNRPHZJLSA-N -1 3 371.393 0.556 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H](C)OCC2CC2)C1 ZINC001489436657 1208829732 /nfs/dbraw/zinc/82/97/32/1208829732.db2.gz MJTMRKQCRIHERU-SCDSUCTJSA-N -1 3 362.430 0.882 10 0 FCAEHM CO[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1NC(=O)C[C@H](C)C1CC1 ZINC001489526567 1208881347 /nfs/dbraw/zinc/88/13/47/1208881347.db2.gz ABPDYFMBMZUWRF-ZLKJLUDKSA-N -1 3 362.430 0.882 10 0 FCAEHM O=C(CCc1cnn[nH]1)N[C@@H]1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001489873214 1209132213 /nfs/dbraw/zinc/13/22/13/1209132213.db2.gz XLOOTIUIUKBUQF-NWDGAFQWSA-N -1 3 358.402 0.553 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NCc1nc(CNC(=O)Cn2ccnc2)cc(=O)[n-]1 ZINC001489969845 1209185853 /nfs/dbraw/zinc/18/58/53/1209185853.db2.gz KNBVXQOYKFWPAA-DGCLKSJQSA-N -1 3 358.402 0.357 10 0 FCAEHM CO[C@H](C)CC(=O)N1CC[C@H](NC(=O)Cc2c(C)nc(C)[n-]c2=O)[C@H]1C ZINC001490094240 1209252732 /nfs/dbraw/zinc/25/27/32/1209252732.db2.gz KFMDKXRCSOXXCE-HCKVZZMMSA-N -1 3 364.446 0.872 10 0 FCAEHM COC[C@@H](OC)C(=O)N1C[C@@H](CNC(=O)c2ccccc2[O-])[C@H](C)C1 ZINC001490260562 1209305012 /nfs/dbraw/zinc/30/50/12/1209305012.db2.gz CPHYQRNJLUZRES-XJKCOSOUSA-N -1 3 350.415 0.878 10 0 FCAEHM COCC1(C(=O)N2C[C@@H](CNC(=O)c3c(C)nc[n-]c3=O)[C@H](C)C2)CC1 ZINC001490346802 1209308743 /nfs/dbraw/zinc/30/87/43/1209308743.db2.gz BOMMBVYFIPPTNX-DGCLKSJQSA-N -1 3 362.430 0.742 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001490454168 1209363798 /nfs/dbraw/zinc/36/37/98/1209363798.db2.gz ZYEKFEOXSFCIMW-BZPMIXESSA-N -1 3 360.414 0.288 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCOC1 ZINC001490651066 1209403804 /nfs/dbraw/zinc/40/38/04/1209403804.db2.gz IVNSHVMVJGWRKS-VDERGJSUSA-N -1 3 374.441 0.708 10 0 FCAEHM CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cc2c(cc1[O-])OCO2 ZINC000862643594 1209918678 /nfs/dbraw/zinc/91/86/78/1209918678.db2.gz WMVXRSSAMBWTFF-SFHVURJKSA-N -1 3 364.398 0.467 10 0 FCAEHM O=C(NC[C@@H](NC(=O)[C@]12C[C@H]1COC2)C1CCCC1)c1cnc[n-]c1=O ZINC001299481954 1211206987 /nfs/dbraw/zinc/20/69/87/1211206987.db2.gz HKFHJJBCGBOQDI-WRSAYESZSA-N -1 3 360.414 0.624 10 0 FCAEHM COC(=O)/C(C)=C/CNC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000925029819 1211488934 /nfs/dbraw/zinc/48/89/34/1211488934.db2.gz RMKFCDWIPSKICO-NTUHNPAUSA-N -1 3 361.398 0.979 10 0 FCAEHM O=C(NCCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001491491240 1220146031 /nfs/dbraw/zinc/14/60/31/1220146031.db2.gz QZPUUFUDXKGNLM-SLEUVZQESA-N -1 3 371.393 0.231 10 0 FCAEHM COc1nnc(NC(=O)CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)[n-]1 ZINC000755743855 1220146546 /nfs/dbraw/zinc/14/65/46/1220146546.db2.gz YEMHPFULORYVEF-SECBINFHSA-N -1 3 368.394 0.268 10 0 FCAEHM COc1nc(NC(=O)CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)n[n-]1 ZINC000755743855 1220146549 /nfs/dbraw/zinc/14/65/49/1220146549.db2.gz YEMHPFULORYVEF-SECBINFHSA-N -1 3 368.394 0.268 10 0 FCAEHM COc1n[n-]c(NC(=O)CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)n1 ZINC000755743855 1220146554 /nfs/dbraw/zinc/14/65/54/1220146554.db2.gz YEMHPFULORYVEF-SECBINFHSA-N -1 3 368.394 0.268 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NCC[C@]1(O)CCOC1 ZINC001118333274 1221762312 /nfs/dbraw/zinc/76/23/12/1221762312.db2.gz JDZKKIIKNUJGPW-IBGZPJMESA-N -1 3 372.425 0.731 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC[C@@H](O)[C@@H]1CCCO1 ZINC001118946742 1221848574 /nfs/dbraw/zinc/84/85/74/1221848574.db2.gz JIZPJTUXLKKVSS-CVEARBPZSA-N -1 3 372.425 0.729 10 0 FCAEHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001119684459 1221950794 /nfs/dbraw/zinc/95/07/94/1221950794.db2.gz XZAWPGUBLWNOHY-CABCVRRESA-N -1 3 363.414 0.983 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)C3CN([C@H]4CCOC4)C3)CC2)n1 ZINC001123960664 1222369161 /nfs/dbraw/zinc/36/91/61/1222369161.db2.gz NVNNEWHEYONMCF-HNNXBMFYSA-N -1 3 361.446 0.296 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CC[C@@H](NC(=O)c3ccc(CN(C)C)nc3)C2)n1 ZINC001124000361 1222374972 /nfs/dbraw/zinc/37/49/72/1222374972.db2.gz LTOSJFRNWDSZJK-OAHLLOKOSA-N -1 3 356.430 0.956 10 0 FCAEHM Cn1cc(C=CC(=O)OCc2cc(=O)[n-]c(C3CC3)n2)c(=O)n(C)c1=O ZINC000837403432 1222646904 /nfs/dbraw/zinc/64/69/04/1222646904.db2.gz HFBRLNQFMACKDH-AATRIKPKSA-N -1 3 358.354 0.214 10 0 FCAEHM Cc1nc(C)c(CC(=O)NC2CCN(C(=O)c3cn[nH]c3)CC2)c(=O)[n-]1 ZINC001141651822 1222746708 /nfs/dbraw/zinc/74/67/08/1222746708.db2.gz VMWKRFHEBVCNBR-UHFFFAOYSA-N -1 3 358.402 0.486 10 0 FCAEHM Cc1nc(C)c(CC(=O)NCCNC(=O)[C@@H]2C[C@H]2c2cccnc2)c(=O)[n-]1 ZINC001720104304 1222903374 /nfs/dbraw/zinc/90/33/74/1222903374.db2.gz SFXXYCQQAWUZPA-JKSUJKDBSA-N -1 3 369.425 0.773 10 0 FCAEHM O=C(CCn1cc(Cl)cn1)NC[C@H]1CC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC001515068753 1265414743 /nfs/dbraw/zinc/41/47/43/1265414743.db2.gz VOTWTQUDMHAHAG-CMPLNLGQSA-N -1 3 365.825 0.760 10 0 FCAEHM CC1=C(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)[C@@H](C)n2nnnc2N1C ZINC000847471372 1245339620 /nfs/dbraw/zinc/33/96/20/1245339620.db2.gz YFOGYIZIWXQMST-SNVBAGLBSA-N -1 3 366.389 0.454 10 0 FCAEHM CC1=C(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)[C@@H](C)n2nnnc2N1C ZINC000847471372 1245339623 /nfs/dbraw/zinc/33/96/23/1245339623.db2.gz YFOGYIZIWXQMST-SNVBAGLBSA-N -1 3 366.389 0.454 10 0 FCAEHM CCn1c(=O)c2ccc(C(=O)N3CCN4C[C@H](O)C[C@H]4C3)cc2[n-]c1=S ZINC000848307076 1245365084 /nfs/dbraw/zinc/36/50/84/1245365084.db2.gz CTNMAXAQAZQUMF-QWHCGFSZSA-N -1 3 374.466 0.596 10 0 FCAEHM COC(=O)c1cc(C(=O)O[C@@H]2CCN(CC(=O)OC(C)(C)C)C2=O)c[n-]1 ZINC000849784038 1245414977 /nfs/dbraw/zinc/41/49/77/1245414977.db2.gz YMGDPRJNGXODHZ-GFCCVEGCSA-N -1 3 366.370 0.901 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)N1CCCN(C(=O)c2c(C)nc[n-]c2=O)CC1 ZINC000941474175 1246639765 /nfs/dbraw/zinc/63/97/65/1246639765.db2.gz MFCJNRYNLNCCMX-HIFRSBDPSA-N -1 3 362.430 0.980 10 0 FCAEHM O=C([N-]OCc1cccnc1)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC001328333289 1265535138 /nfs/dbraw/zinc/53/51/38/1265535138.db2.gz JVUZWCNNXJPZFA-INIZCTEOSA-N -1 3 356.382 0.929 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(C(=O)OC[C@@H]2CCN2C2CCOCC2)cn1 ZINC001517123619 1265586449 /nfs/dbraw/zinc/58/64/49/1265586449.db2.gz LNIBFYUNDSFBAK-AWEZNQCLSA-N -1 3 369.443 0.863 10 0 FCAEHM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@H]1Cc2cncn2C1 ZINC001328725971 1265602799 /nfs/dbraw/zinc/60/27/99/1265602799.db2.gz OFVNUNRWMPLRJP-ZDUSSCGKSA-N -1 3 372.429 0.197 10 0 FCAEHM CCC1(N2CCOCC2)CCN(C(=O)c2c[n-]n3c2nccc3=O)CC1 ZINC001329221046 1265715058 /nfs/dbraw/zinc/71/50/58/1265715058.db2.gz AXPJYPJKWYRIDY-UHFFFAOYSA-N -1 3 359.430 0.740 10 0 FCAEHM O=C(NCCCNc1ncccn1)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001251451074 1259748482 /nfs/dbraw/zinc/74/84/82/1259748482.db2.gz OFNLYGPCFXSJSH-LBPRGKRZSA-N -1 3 358.406 0.352 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N(CCCO)Cc1ccccn1 ZINC001251450637 1259748587 /nfs/dbraw/zinc/74/85/87/1259748587.db2.gz BNNVOIMSGHQHPY-OAHLLOKOSA-N -1 3 372.429 0.750 10 0 FCAEHM CN1CCN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)Cc2cccnc21 ZINC001254497357 1259888460 /nfs/dbraw/zinc/88/84/60/1259888460.db2.gz TUECMAKIAWCKRE-UHFFFAOYSA-N -1 3 370.413 0.812 10 0 FCAEHM Cc1ncc(CN2CC[C@H](NC(=O)CCn3cc[n-]c(=O)c3=O)[C@H]2C)o1 ZINC001264723498 1260402244 /nfs/dbraw/zinc/40/22/44/1260402244.db2.gz JTMFERHECHGOJF-RISCZKNCSA-N -1 3 361.402 0.002 10 0 FCAEHM Cc1nc(C)c(CC(=O)N[C@H](CO)CNC(=O)[C@]23C[C@H]2CCC3)c(=O)[n-]1 ZINC001337781737 1260483765 /nfs/dbraw/zinc/48/37/65/1260483765.db2.gz VLWFZKKWRUDCKO-FHSNZYRGSA-N -1 3 362.430 0.125 10 0 FCAEHM O=C(N[C@H](CO)CNC(=O)[C@@H]1C[C@H]1c1ccco1)c1cccc2n[n-]nc21 ZINC001337876134 1260507657 /nfs/dbraw/zinc/50/76/57/1260507657.db2.gz BDBVYBAYDHFIQM-CYZMBNFOSA-N -1 3 369.381 0.562 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)NC[C@@H](C)N(C)C(=O)[C@]12C[C@H]1COC2 ZINC001280516481 1261065722 /nfs/dbraw/zinc/06/57/22/1261065722.db2.gz NTSFUQYDRQTQLK-YNKQFZHNSA-N -1 3 362.430 0.423 10 0 FCAEHM CO[C@@H]1CN(C(=O)[C@@H](C)OCC(C)C)C[C@H]1NC(=O)c1cnc[n-]c1=O ZINC001281841488 1261225547 /nfs/dbraw/zinc/22/55/47/1261225547.db2.gz BQSBNJUKXFAJHP-MRVWCRGKSA-N -1 3 366.418 0.199 10 0 FCAEHM CCOCCCCCC(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1 ZINC001281900238 1261269825 /nfs/dbraw/zinc/26/98/25/1261269825.db2.gz ALYJHAYOBRDZSE-KGLIPLIRSA-N -1 3 366.418 0.081 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)C[C@](C)(O)C2CC2)CCN1C(=O)c1cnc[n-]c1=O ZINC001282253693 1261391762 /nfs/dbraw/zinc/39/17/62/1261391762.db2.gz JJVYKPNTVKROGN-IYOUNJFTSA-N -1 3 362.430 0.843 10 0 FCAEHM CNC(=O)C1(C(=O)N2C[C@H]3CCN(C(=O)c4ccccc4[O-])C[C@H]3C2)CC1 ZINC001282298918 1261407887 /nfs/dbraw/zinc/40/78/87/1261407887.db2.gz KOPFWEUAHGRCOW-KGLIPLIRSA-N -1 3 371.437 0.839 10 0 FCAEHM COCCCn1cc(C(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@H]2C)cn1 ZINC001282362038 1261428507 /nfs/dbraw/zinc/42/85/07/1261428507.db2.gz IHZIAKOUYUAHGA-YPMHNXCESA-N -1 3 361.406 0.071 10 0 FCAEHM CC(C)OC(=O)c1cc(NC(=O)Cn2nnc3ccccc3c2=O)[n-]n1 ZINC001472090785 1261435677 /nfs/dbraw/zinc/43/56/77/1261435677.db2.gz RJJFUXHIHCPVIE-UHFFFAOYSA-N -1 3 356.342 0.719 10 0 FCAEHM CC(C)OC(=O)c1cc(NC(=O)Cn2nnc3ccccc3c2=O)n[n-]1 ZINC001472090785 1261435682 /nfs/dbraw/zinc/43/56/82/1261435682.db2.gz RJJFUXHIHCPVIE-UHFFFAOYSA-N -1 3 356.342 0.719 10 0 FCAEHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1CCCS(=O)(=O)C[C@H]1C1CC1 ZINC001472166350 1261446104 /nfs/dbraw/zinc/44/61/04/1261446104.db2.gz VEBPCEHPTNJNRC-ZDUSSCGKSA-N -1 3 362.415 0.301 10 0 FCAEHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1CCCS(=O)(=O)C[C@H]1C1CC1 ZINC001472166350 1261446106 /nfs/dbraw/zinc/44/61/06/1261446106.db2.gz VEBPCEHPTNJNRC-ZDUSSCGKSA-N -1 3 362.415 0.301 10 0 FCAEHM COc1cc2c(cc1C(=O)N[C@H]1CCN(c3cc(=O)[n-]cn3)C1)OCO2 ZINC001472254042 1261455120 /nfs/dbraw/zinc/45/51/20/1261455120.db2.gz HTXZALAWNHLJNG-JTQLQIEISA-N -1 3 358.354 0.928 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC001472253479 1261455471 /nfs/dbraw/zinc/45/54/71/1261455471.db2.gz MUPXFFWWLCYELS-CHWSQXEVSA-N -1 3 371.397 0.519 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)[C@H]1CC(c2ccccn2)=NO1 ZINC001472254446 1261455627 /nfs/dbraw/zinc/45/56/27/1261455627.db2.gz SGZYXMBPNIGEPK-BXUZGUMPSA-N -1 3 354.370 0.465 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccc(CN2CCOCC2)o1 ZINC001472253844 1261455789 /nfs/dbraw/zinc/45/57/89/1261455789.db2.gz CICFBOOTEUUMRK-CYBMUJFWSA-N -1 3 373.413 0.616 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CNC(=O)C[C@@H]1CCCCO1 ZINC001282472087 1261469867 /nfs/dbraw/zinc/46/98/67/1261469867.db2.gz MURKBQHIKBHOCG-MCIONIFRSA-N -1 3 362.430 0.966 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCOC[C@H]1CC1CC1 ZINC001472623681 1261480536 /nfs/dbraw/zinc/48/05/36/1261480536.db2.gz GLBMQCIDAQSJRA-CYBMUJFWSA-N -1 3 357.432 0.597 10 0 FCAEHM COCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001282694549 1261586881 /nfs/dbraw/zinc/58/68/81/1261586881.db2.gz FLCXNCUWKQSKNK-HONMWMINSA-N -1 3 357.366 0.078 10 0 FCAEHM O=C(CC[C@H]1CCOC1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O ZINC001282716946 1261595429 /nfs/dbraw/zinc/59/54/29/1261595429.db2.gz PVZMDNAUKKZTOA-MXYBEHONSA-N -1 3 360.414 0.861 10 0 FCAEHM CN(C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)[C@H](CNCc1nc(=O)n(C)[n-]1)C1CC1 ZINC001283520564 1261689162 /nfs/dbraw/zinc/68/91/62/1261689162.db2.gz NEDJJSNWHQGKON-TTZDDIAXSA-N -1 3 363.462 0.250 10 0 FCAEHM O=C(NCC1(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCCC1)c1cnc[n-]c1=O ZINC001285121120 1261813029 /nfs/dbraw/zinc/81/30/29/1261813029.db2.gz GJRWYKZDKIXDAR-MIBAYGRRSA-N -1 3 372.425 0.764 10 0 FCAEHM C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H](NC(=O)c1cn[n-]n1)C1CCCCC1 ZINC001285266409 1261826810 /nfs/dbraw/zinc/82/68/10/1261826810.db2.gz SBCMZZWGSXLYBB-WHOFXGATSA-N -1 3 365.434 0.404 10 0 FCAEHM C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@H](NC(=O)c1cn[n-]n1)C1CCCCC1 ZINC001285266408 1261827450 /nfs/dbraw/zinc/82/74/50/1261827450.db2.gz SBCMZZWGSXLYBB-LNSITVRQSA-N -1 3 365.434 0.404 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N(C)CCN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001285382210 1261837804 /nfs/dbraw/zinc/83/78/04/1261837804.db2.gz GHVXYXPLABCVAA-JYKNGBAOSA-N -1 3 360.414 0.444 10 0 FCAEHM Cc1ccccc1CN1CCO[C@H](CNC(=O)c2[nH]c(=O)[n-]c(=O)c2N)C1 ZINC001287969689 1261991645 /nfs/dbraw/zinc/99/16/45/1261991645.db2.gz LXBBGAMIPNBPFJ-CYBMUJFWSA-N -1 3 373.413 0.409 10 0 FCAEHM C[C@@H](C(=O)N1CCCc2c(=O)[n-]cnc21)N1C(=O)NC2(CCCC2)C1=O ZINC001288087886 1261995531 /nfs/dbraw/zinc/99/55/31/1261995531.db2.gz GCGFSSVTHRACCB-JTQLQIEISA-N -1 3 359.386 0.715 10 0 FCAEHM CO[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1NC(=O)CC(C)(C)C1CC1 ZINC001289473585 1262215385 /nfs/dbraw/zinc/21/53/85/1262215385.db2.gz PSGMGMWVZHPNEA-ZIAGYGMSSA-N -1 3 362.430 0.964 10 0 FCAEHM Cc1nn(C)cc1CCC(=O)NC[C@H]1CC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC001290226147 1262404957 /nfs/dbraw/zinc/40/49/57/1262404957.db2.gz OZMMRRUYYAGZTH-GXTWGEPZSA-N -1 3 359.434 0.494 10 0 FCAEHM CCO[C@H](CC)C(=O)N1C[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@]2(C)C1 ZINC001290830023 1262516349 /nfs/dbraw/zinc/51/63/49/1262516349.db2.gz BYIDDSGLZHCHHP-WPKBUWHJSA-N -1 3 362.430 0.918 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](CNC(=O)Cc2ncc[nH]2)[C@H](C)C1 ZINC001290974241 1262546830 /nfs/dbraw/zinc/54/68/30/1262546830.db2.gz AZMYTWMAJKXVDW-ZYHUDNBSSA-N -1 3 358.402 0.281 10 0 FCAEHM C[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O)n1cccn1 ZINC001292232745 1262669856 /nfs/dbraw/zinc/66/98/56/1262669856.db2.gz ZQBQAUOJEKNMMM-GBOPCIDUSA-N -1 3 370.413 0.892 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C ZINC001292969046 1262707047 /nfs/dbraw/zinc/70/70/47/1262707047.db2.gz BNEKSMUKHUHBCF-STQMWFEESA-N -1 3 367.450 0.166 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])N1CCN(C2CC2)C(=O)C1 ZINC001294328050 1262731039 /nfs/dbraw/zinc/73/10/39/1262731039.db2.gz XVZCPTVWKMJHCX-UHFFFAOYSA-N -1 3 372.356 0.321 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c([O-])cc1=O)N1CCN(C2CC2)C(=O)C1 ZINC001294328050 1262731045 /nfs/dbraw/zinc/73/10/45/1262731045.db2.gz XVZCPTVWKMJHCX-UHFFFAOYSA-N -1 3 372.356 0.321 10 0 FCAEHM O=C(NC[C@@H](NC(=O)[C@]12CCC[C@H]1OCC2)C1CC1)c1cnc[n-]c1=O ZINC001294901853 1262749830 /nfs/dbraw/zinc/74/98/30/1262749830.db2.gz KSKWKYKCBCLMMY-LBTNJELSSA-N -1 3 360.414 0.766 10 0 FCAEHM CCCN(CCNC(=O)c1c(C)nc[n-]c1=O)C(=O)[C@H]1OCCO[C@H]1C ZINC001296529693 1262818122 /nfs/dbraw/zinc/81/81/22/1262818122.db2.gz MJMQZUMVWPNEBA-JSGCOSHPSA-N -1 3 366.418 0.263 10 0 FCAEHM COc1ccc([C@]2(C)NC(=O)N(NC(=O)c3cc(=O)[n-]cn3)C2=O)cc1 ZINC001297511035 1262876157 /nfs/dbraw/zinc/87/61/57/1262876157.db2.gz RULASSWHDJLLFY-INIZCTEOSA-N -1 3 357.326 0.303 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001297765952 1262892224 /nfs/dbraw/zinc/89/22/24/1262892224.db2.gz MXBMUFGFLSPVHK-YUSALJHKSA-N -1 3 358.402 0.500 10 0 FCAEHM COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC001298792160 1262941200 /nfs/dbraw/zinc/94/12/00/1262941200.db2.gz JMLLHQNBZGQBIP-NSHDSACASA-N -1 3 370.406 0.215 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)CONC(=O)OC(C)(C)C)cc2n(C)c1=O ZINC001298800226 1262942183 /nfs/dbraw/zinc/94/21/83/1262942183.db2.gz OZVQGMADRQOGAB-UHFFFAOYSA-N -1 3 366.374 0.977 10 0 FCAEHM C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@H]1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001479481356 1263216448 /nfs/dbraw/zinc/21/64/48/1263216448.db2.gz GMCVMTCERVWGQY-SGMGOOAPSA-N -1 3 361.450 0.497 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)N(C)[C@H](C)CNCc1cc(=O)n2[n-]ccc2n1 ZINC001319501875 1263699142 /nfs/dbraw/zinc/69/91/42/1263699142.db2.gz KRFXJIMNASNGKN-YUELXQCFSA-N -1 3 361.446 0.774 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@H](C)CNC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001494897363 1263791427 /nfs/dbraw/zinc/79/14/27/1263791427.db2.gz YDRLZXXJADIERE-DDTOSNHZSA-N -1 3 362.430 0.788 10 0 FCAEHM Cc1nc(C)c(CC(=O)NCC[C@@H](C)NC(=O)[C@]23C[C@H]2COC3)c(=O)[n-]1 ZINC001495543629 1263825949 /nfs/dbraw/zinc/82/59/49/1263825949.db2.gz WHGXZWXYSNBKMY-LNSDYSHSSA-N -1 3 362.430 0.389 10 0 FCAEHM CCCN(CCNC(=O)c1cnc[n-]c1=O)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001497277253 1263923056 /nfs/dbraw/zinc/92/30/56/1263923056.db2.gz GRJDYPDZUJISJR-HIFRSBDPSA-N -1 3 362.430 0.966 10 0 FCAEHM CC[C@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)NC(=O)c1cnc[n-]c1=O ZINC001499240457 1264017885 /nfs/dbraw/zinc/01/78/85/1264017885.db2.gz AMCQGPDYKSZQOZ-HZSPNIEDSA-N -1 3 362.430 0.870 10 0 FCAEHM C[C@@](CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)(NC(=O)c1cnc[n-]c1=O)C1CC1 ZINC001499651433 1264039431 /nfs/dbraw/zinc/03/94/31/1264039431.db2.gz MUQPIHHGLOUDIR-FMTVUPSXSA-N -1 3 370.413 0.724 10 0 FCAEHM CN(CCN(C)C(=O)[C@@H]1C[C@H]1C1CCOCC1)C(=O)c1cnc[n-]c1=O ZINC001501194894 1264108677 /nfs/dbraw/zinc/10/86/77/1264108677.db2.gz AGCNRUWRZFCGKC-UONOGXRCSA-N -1 3 362.430 0.775 10 0 FCAEHM C[C@@H](CN(C)C(=O)c1cnc[n-]c1=O)NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001510625164 1264506184 /nfs/dbraw/zinc/50/61/84/1264506184.db2.gz HQFPRDAEMKKGLA-WCFLWFBJSA-N -1 3 358.402 0.296 10 0 FCAEHM O=C(N[C@H](CO)CNC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F)c1cn[n-]n1 ZINC001510995590 1264529279 /nfs/dbraw/zinc/52/92/79/1264529279.db2.gz YBKXBQROPXMOTR-IVZWLZJFSA-N -1 3 363.340 0.380 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)N[C@H](CO)CNC(=O)CCc1c(C)nc[n-]c1=O ZINC001511008304 1264530694 /nfs/dbraw/zinc/53/06/94/1264530694.db2.gz SXHKZCDKWYCBSF-MBNYWOFBSA-N -1 3 350.419 0.063 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@@H]1CN(C(=O)c2cnon2)C[C@H]1C ZINC001513248147 1264992824 /nfs/dbraw/zinc/99/28/24/1264992824.db2.gz YACCBZQNZHOGTP-NOZJJQNGSA-N -1 3 360.374 0.083 10 0 FCAEHM C[C@H](CC(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1)C(C)(C)C ZINC001513542570 1265192843 /nfs/dbraw/zinc/19/28/43/1265192843.db2.gz CYYUESYGSMTELD-RTXFEEFZSA-N -1 3 350.419 0.556 10 0 FCAEHM C[C@@H](OCC1CC1)C(=O)N1CC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)[C@@H]2C1 ZINC001513949668 1265301998 /nfs/dbraw/zinc/30/19/98/1265301998.db2.gz RCFCSVMTWDRZIQ-UXIGCNINSA-N -1 3 360.414 0.670 10 0 FCAEHM CC(=O)N(C)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1c(C)nc[n-]c1=O ZINC001514254922 1265333706 /nfs/dbraw/zinc/33/37/06/1265333706.db2.gz XRPRKXFIMNCPDP-CHWSQXEVSA-N -1 3 363.418 0.126 10 0 FCAEHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001514978423 1265389940 /nfs/dbraw/zinc/38/99/40/1265389940.db2.gz QIUQDYNBFVGHMA-KGYLQXTDSA-N -1 3 363.418 0.030 10 0 FCAEHM O=C(CCc1ncccn1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O ZINC001522324665 1266491450 /nfs/dbraw/zinc/49/14/50/1266491450.db2.gz ADIKRCINLZIPAA-BNOWGMLFSA-N -1 3 368.397 0.467 10 0 FCAEHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)[C@H]3CCC(=O)O3)c2)[n-]1 ZINC001525076914 1266737729 /nfs/dbraw/zinc/73/77/29/1266737729.db2.gz BEBIMSRILLNHAQ-GFCCVEGCSA-N -1 3 358.354 0.970 10 0 FCAEHM CCOC(=O)c1nc(-c2cccc(CNC(=O)[C@H]3CCC(=O)O3)c2)n[n-]1 ZINC001525076914 1266737736 /nfs/dbraw/zinc/73/77/36/1266737736.db2.gz BEBIMSRILLNHAQ-GFCCVEGCSA-N -1 3 358.354 0.970 10 0 FCAEHM C(Cc1nnc(N2CCSCC2)n1C[C@@H]1CCCO1)c1nnn[n-]1 ZINC001525275682 1266749664 /nfs/dbraw/zinc/74/96/64/1266749664.db2.gz MUVTXMLXQJRFAU-NSHDSACASA-N -1 3 350.452 0.309 10 0 FCAEHM C(Cc1nnc(N2CCSCC2)n1C[C@@H]1CCCO1)c1nn[n-]n1 ZINC001525275682 1266749669 /nfs/dbraw/zinc/74/96/69/1266749669.db2.gz MUVTXMLXQJRFAU-NSHDSACASA-N -1 3 350.452 0.309 10 0 FCAEHM CN(CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001528469397 1266974167 /nfs/dbraw/zinc/97/41/67/1266974167.db2.gz JBGHIXWRWUNHSA-APVFFNHTSA-N -1 3 372.425 0.671 10 0 FCAEHM CCN(CCNC(=O)c1cc(=O)[n-]c(C2CC2)n1)C(=O)[C@]12C[C@H]1COC2 ZINC001528907622 1267010215 /nfs/dbraw/zinc/01/02/15/1267010215.db2.gz UGALCQKZFRUQPY-SGTLLEGYSA-N -1 3 360.414 0.674 10 0 FCAEHM COC[C@@H](NC(=O)C(=O)NCc1ccc([O-])c(F)c1)[C@@H]1CCCOC1 ZINC001334708047 1267146298 /nfs/dbraw/zinc/14/62/98/1267146298.db2.gz UWWPGWPADJDNTF-TZMCWYRMSA-N -1 3 354.378 0.705 10 0 FCAEHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC001538613686 1267408933 /nfs/dbraw/zinc/40/89/33/1267408933.db2.gz IPKCIKAVGLSRQH-LURJTMIESA-N -1 3 370.291 0.909 10 0 FCAEHM C=CC(=O)NCCNC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC001542901773 1267511348 /nfs/dbraw/zinc/51/13/48/1267511348.db2.gz JIWDPXGUWIGRKG-UHFFFAOYSA-N -1 3 355.398 0.491 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC001542940366 1267513269 /nfs/dbraw/zinc/51/32/69/1267513269.db2.gz PYWAQZHJIIDHHM-SNVBAGLBSA-N -1 3 357.819 0.985 10 0 FCAEHM C[C@@H](Cn1cncn1)NC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001544660756 1267589217 /nfs/dbraw/zinc/58/92/17/1267589217.db2.gz WNWNLCIXGPEVPU-JTQLQIEISA-N -1 3 358.333 0.284 10 0 FCAEHM C[C@@H](Cn1cncn1)NC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001544660756 1267589220 /nfs/dbraw/zinc/58/92/20/1267589220.db2.gz WNWNLCIXGPEVPU-JTQLQIEISA-N -1 3 358.333 0.284 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)Cn3nnc4ccccc43)cc2n(C)c1=O ZINC001556869709 1268902117 /nfs/dbraw/zinc/90/21/17/1268902117.db2.gz QTHGCTVJYRCIBM-UHFFFAOYSA-N -1 3 352.354 0.966 10 0 FCAEHM CC(C)(C)OC(=O)C1(C(=O)NCCCc2c[n-][nH]c2=O)CCOCC1 ZINC001557701187 1268967891 /nfs/dbraw/zinc/96/78/91/1268967891.db2.gz LEKRKITUNRCEPP-GFCCVEGCSA-N -1 3 353.419 0.753 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)c1 ZINC001557895576 1268984757 /nfs/dbraw/zinc/98/47/57/1268984757.db2.gz IYARTCDIANLAEN-HDICACEKSA-N -1 3 357.366 0.642 10 0 FCAEHM CCCC[C@@](C)(F)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001341542251 1269068870 /nfs/dbraw/zinc/06/88/70/1269068870.db2.gz VXCRTGSBNXPMEH-XHBSWPGZSA-N -1 3 354.382 0.402 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)c3nnn(C)c3C(F)(F)F)CC2)n1 ZINC001558399232 1269084305 /nfs/dbraw/zinc/08/43/05/1269084305.db2.gz MXFOFVWYRHSBSM-UHFFFAOYSA-N -1 3 371.323 0.600 10 0 FCAEHM COC1([C@@H](C)NC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)CCOCC1 ZINC001564949683 1269445075 /nfs/dbraw/zinc/44/50/75/1269445075.db2.gz PFYUBJFXXCHLGL-CHWSQXEVSA-N -1 3 365.434 0.644 10 0 FCAEHM O=C(NCc1ccc(CCO)cc1)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001565444750 1269474031 /nfs/dbraw/zinc/47/40/31/1269474031.db2.gz WUFXMRKIOKCPRX-OAHLLOKOSA-N -1 3 357.414 0.795 10 0 FCAEHM CC(=O)[C@@H]1CC(C(=O)NCCc2c(C)[n-][nH]c2=O)=NN1c1ccccc1 ZINC001565611462 1269481157 /nfs/dbraw/zinc/48/11/57/1269481157.db2.gz GKDSQTPXGJNOOG-HOCLYGCPSA-N -1 3 355.398 0.839 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1nccn2c(Br)cnc12 ZINC001565612451 1269483367 /nfs/dbraw/zinc/48/33/67/1269483367.db2.gz PGYOLNBDHAOFSG-QMMMGPOBSA-N -1 3 365.191 0.734 10 0 FCAEHM Cc1nn(C)cc1C1=NO[C@H](C(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001565613912 1269483377 /nfs/dbraw/zinc/48/33/77/1269483377.db2.gz SKJDIZJKSHDUAS-HNNXBMFYSA-N -1 3 366.385 0.718 10 0 FCAEHM Cc1nn(C)cc1C1=NO[C@H](C(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001565613912 1269483381 /nfs/dbraw/zinc/48/33/81/1269483381.db2.gz SKJDIZJKSHDUAS-HNNXBMFYSA-N -1 3 366.385 0.718 10 0 FCAEHM COC[C@H](C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001342541808 1269507207 /nfs/dbraw/zinc/50/72/07/1269507207.db2.gz BLGWGADSAULZFL-NQBHXWOUSA-N -1 3 350.419 0.740 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])N1CCn2ncnc2C1 ZINC001567843142 1269709720 /nfs/dbraw/zinc/70/97/20/1269709720.db2.gz XRNGKJSDORUIKQ-UHFFFAOYSA-N -1 3 356.317 0.121 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c([O-])cc1=O)N1CCn2ncnc2C1 ZINC001567843142 1269709725 /nfs/dbraw/zinc/70/97/25/1269709725.db2.gz XRNGKJSDORUIKQ-UHFFFAOYSA-N -1 3 356.317 0.121 10 0 FCAEHM O=C([C@@H]1C[C@H]1c1c[nH]cn1)N1CCC[C@@H](CCNCc2n[nH]c(=O)[n-]2)C1 ZINC001568060346 1269717054 /nfs/dbraw/zinc/71/70/54/1269717054.db2.gz KLZYCNBAJUSLBF-YNEHKIRRSA-N -1 3 359.434 0.755 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCCCn2c(=O)ccn(C)c2=O)c1 ZINC001568554081 1269738602 /nfs/dbraw/zinc/73/86/02/1269738602.db2.gz HYWSPFFXOPTAIR-UHFFFAOYSA-N -1 3 372.381 0.197 10 0 FCAEHM COC(=O)Cc1ccccc1CNC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001568935790 1269757344 /nfs/dbraw/zinc/75/73/44/1269757344.db2.gz GHBLXIZXUVWRJN-UHFFFAOYSA-N -1 3 352.354 0.907 10 0 FCAEHM COC(=O)Cc1ccccc1CNC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001568935790 1269757349 /nfs/dbraw/zinc/75/73/49/1269757349.db2.gz GHBLXIZXUVWRJN-UHFFFAOYSA-N -1 3 352.354 0.907 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CC(C3CS(=O)(=O)C3)C2)c1 ZINC001569406063 1269780475 /nfs/dbraw/zinc/78/04/75/1269780475.db2.gz YGFFJKNVWRXGAR-UHFFFAOYSA-N -1 3 350.396 0.633 10 0 FCAEHM Cc1nc(C)c(CC(=O)N[C@@H](C)CN(C)C(=O)[C@]23C[C@H]2COC3)c(=O)[n-]1 ZINC001572264027 1270020762 /nfs/dbraw/zinc/02/07/62/1270020762.db2.gz AKOVJRYTYLPTRZ-IMQJOWEQSA-N -1 3 362.430 0.341 10 0 FCAEHM O=C(C[C@@H]1C[C@H]1C1CC1)NC[C@@H](CO)NC(=O)c1cccc2n[n-]nc21 ZINC001572345755 1270047586 /nfs/dbraw/zinc/04/75/86/1270047586.db2.gz TUBKQKPQDUOIJC-OBJOEFQTSA-N -1 3 357.414 0.601 10 0 FCAEHM CC=C(C)C(=O)NCc1nc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc(=O)[n-]1 ZINC001344652603 1270217312 /nfs/dbraw/zinc/21/73/12/1270217312.db2.gz YJZVDZFQXNCQFT-ZCBGGOTOSA-N -1 3 372.425 0.804 10 0 FCAEHM CC(F)(F)CC(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@]23C[C@H]2COC3)n1 ZINC001344651681 1270217935 /nfs/dbraw/zinc/21/79/35/1270217935.db2.gz ULALNMYDKLEUJL-FVMDXXJSSA-N -1 3 370.356 0.496 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@H](C)CC(C)C)C1 ZINC001572836446 1270224427 /nfs/dbraw/zinc/22/44/27/1270224427.db2.gz UDNSVVIQGRLITG-MRVWCRGKSA-N -1 3 364.446 0.864 10 0 FCAEHM CCCOCC(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2c(C)nc(C)[n-]c2=O)C1 ZINC001572893182 1270307399 /nfs/dbraw/zinc/30/73/99/1270307399.db2.gz CDRQAWBGUDTKHG-IAQYHMDHSA-N -1 3 364.446 0.731 10 0 FCAEHM CCC[C@@H](C)CC(=O)N1C[C@@H](NC(=O)c2c(C)nc[n-]c2=O)[C@@H](O)C1 ZINC001573024058 1270530651 /nfs/dbraw/zinc/53/06/51/1270530651.db2.gz AFRSAZVADXLACM-RTXFEEFZSA-N -1 3 350.419 0.618 10 0 FCAEHM O=C(COC[C@H]1CCOC1)N[C@@H]1CCCC[C@H]1NC(=O)c1cn[n-]n1 ZINC001573090624 1270608468 /nfs/dbraw/zinc/60/84/68/1270608468.db2.gz DUCXZAPZWYGRRV-YNEHKIRRSA-N -1 3 351.407 0.015 10 0 FCAEHM COCC1(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3c(C)nc[n-]c3=O)C2)CC1 ZINC001573192309 1270651852 /nfs/dbraw/zinc/65/18/52/1270651852.db2.gz IBEXDPGZPUKBIM-QWHCGFSZSA-N -1 3 362.430 0.932 10 0 FCAEHM CCC(C)=CC(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@]23C[C@H]2COC3)n1 ZINC001573250029 1270708552 /nfs/dbraw/zinc/70/85/52/1270708552.db2.gz VDTXBSXBALOKQC-ORTXWATBSA-N -1 3 360.414 0.807 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@H](OC)C2CC2)n1 ZINC001573249374 1270709236 /nfs/dbraw/zinc/70/92/36/1270709236.db2.gz OWHCYSHLOZTBJP-CKUKBARFSA-N -1 3 362.430 0.886 10 0 FCAEHM CCCC(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)n1 ZINC001573250373 1270710196 /nfs/dbraw/zinc/71/01/96/1270710196.db2.gz YGJWZABURRDFAF-VXGBXAGGSA-N -1 3 358.402 0.742 10 0 FCAEHM CCS(=O)(=O)CC(=O)N1CC[C@H](NC(=O)c2ccccc2[O-])[C@H]1C ZINC001573440073 1270777641 /nfs/dbraw/zinc/77/76/41/1270777641.db2.gz BMDZILBANGHEQT-YPMHNXCESA-N -1 3 354.428 0.546 10 0 FCAEHM CCO[C@@H](C(=O)N1C[C@@H](CNC(=O)c2cnc[n-]c2=O)[C@H](C)C1)C1CC1 ZINC001573858003 1270910177 /nfs/dbraw/zinc/91/01/77/1270910177.db2.gz PIVJEMHHBPVPMM-UXIGCNINSA-N -1 3 362.430 0.822 10 0 FCAEHM CO[C@@H](C(=O)NC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C)C1CCC1 ZINC001573880051 1270918614 /nfs/dbraw/zinc/91/86/14/1270918614.db2.gz CXUIBPWSMLMFSL-UXIGCNINSA-N -1 3 362.430 0.822 10 0 FCAEHM Cc1cc(C(=O)N2C[C@@H](C)[C@H](CCNC(=O)c3cnc[n-]c3=O)C2)ncn1 ZINC001574002749 1270985703 /nfs/dbraw/zinc/98/57/03/1270985703.db2.gz LXLBXRKBVZWALO-DGCLKSJQSA-N -1 3 370.413 0.809 10 0 FCAEHM CO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c(C)nc[n-]c1=O)C1CC1 ZINC001574443131 1271277849 /nfs/dbraw/zinc/27/78/49/1271277849.db2.gz UMJYPPQYKGDFTA-CXTNEJHOSA-N -1 3 360.414 0.777 10 0 FCAEHM CC(C)(C)C(=O)NCCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn[n-]n1)C2 ZINC001574514389 1271298693 /nfs/dbraw/zinc/29/86/93/1271298693.db2.gz DEVBAPBJCYEDSV-WZRBSPASSA-N -1 3 362.434 0.219 10 0 FCAEHM O=C(OCc1ccccc1)c1cc(NC(=O)C2(n3cnnn3)CC2)[n-]n1 ZINC001603162633 1287318113 /nfs/dbraw/zinc/31/81/13/1287318113.db2.gz SPNTVYUUYNOWSS-UHFFFAOYSA-N -1 3 353.342 0.881 10 0 FCAEHM O=C(OCc1ccccc1)c1cc(NC(=O)C2(n3cnnn3)CC2)n[n-]1 ZINC001603162633 1287318115 /nfs/dbraw/zinc/31/81/15/1287318115.db2.gz SPNTVYUUYNOWSS-UHFFFAOYSA-N -1 3 353.342 0.881 10 0 FCAEHM C[C@@H](CNCc1cc(=O)n2[n-]ccc2n1)N(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001714771199 1287335048 /nfs/dbraw/zinc/33/50/48/1287335048.db2.gz DATNBVUMMCGHGX-MYPMTAMASA-N -1 3 359.430 0.527 10 0 FCAEHM CCN(CCNC(=O)c1cnc[n-]c1=O)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001581118619 1279416250 /nfs/dbraw/zinc/41/62/50/1279416250.db2.gz GRRZFNZLCRTLSD-QWHCGFSZSA-N -1 3 358.402 0.298 10 0 FCAEHM CC(C)(C)OC(=O)N1CC(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)C1 ZINC001603292282 1287348206 /nfs/dbraw/zinc/34/82/06/1287348206.db2.gz OYZBFSMROLAUHK-GFCCVEGCSA-N -1 3 363.418 0.744 10 0 FCAEHM COc1ccc(C=O)c(OCC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)c1 ZINC001603293919 1287348288 /nfs/dbraw/zinc/34/82/88/1287348288.db2.gz ZZRDKYGQHNFNIP-ZDUSSCGKSA-N -1 3 372.381 0.777 10 0 FCAEHM C[C@@H](CNCc1cc(=O)n2[n-]ccc2n1)NC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001715985288 1287367663 /nfs/dbraw/zinc/36/76/63/1287367663.db2.gz KSOHYBFTGVXSTH-KHIZAZIESA-N -1 3 359.430 0.432 10 0 FCAEHM Cn1[n-]c(CNC[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C(C)(C)C)nc1=O ZINC001717964620 1287451626 /nfs/dbraw/zinc/45/16/26/1287451626.db2.gz ZYUMZBLYJZYMGV-BFWDZPHWSA-N -1 3 363.462 0.152 10 0 FCAEHM C[C@H](CNC(=O)[C@]12C[C@H]1COC2)N(C)C(=O)c1nnc2ccccc2c1[O-] ZINC001718169380 1287466858 /nfs/dbraw/zinc/46/68/58/1287466858.db2.gz PGEUMFMPBSFZBO-UFYHVXEKSA-N -1 3 370.409 0.949 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N(C)[C@@H](C)CNC(=O)[C@]12C[C@H]1COC2 ZINC001718168613 1287467421 /nfs/dbraw/zinc/46/74/21/1287467421.db2.gz HZSGCLHZCXGOSY-FNFWKMNBSA-N -1 3 362.430 0.423 10 0 FCAEHM C[C@@H]1OCCO[C@@H]1C(=O)NCCCOCCNC(=O)c1ccccc1[O-] ZINC001718490499 1287509656 /nfs/dbraw/zinc/50/96/56/1287509656.db2.gz CLKPHWJGZHPHNZ-BBRMVZONSA-N -1 3 366.414 0.449 10 0 FCAEHM CC(C)(C)C(=O)N1CCO[C@H](C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)C1 ZINC001583358615 1282082479 /nfs/dbraw/zinc/08/24/79/1282082479.db2.gz QLIFSIVSPDHKNR-AAEUAGOBSA-N -1 3 350.419 0.705 10 0 FCAEHM CS(=O)(=O)N1CCC(CC(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)CC1 ZINC001583359091 1282082792 /nfs/dbraw/zinc/08/27/92/1282082792.db2.gz XOUVXSOKYWOTAF-GFCCVEGCSA-N -1 3 356.448 0.493 10 0 FCAEHM C[C@H](C(=O)NCc1cc(=O)[n-]c(=S)[nH]1)S(=O)(=O)C1CCOCC1 ZINC001583369109 1282085683 /nfs/dbraw/zinc/08/56/83/1282085683.db2.gz MWJDPDFZUAIHTA-MRVPVSSYSA-N -1 3 361.445 0.069 10 0 FCAEHM COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001631842812 1282122784 /nfs/dbraw/zinc/12/27/84/1282122784.db2.gz YUUWCAUESKOVNP-VIFPVBQESA-N -1 3 358.420 0.627 10 0 FCAEHM CC(C)[C@H](C(=O)NCc1cc(=O)[n-]c(=S)[nH]1)N1CCCS1(=O)=O ZINC001631842746 1282123356 /nfs/dbraw/zinc/12/33/56/1282123356.db2.gz WIRASQCCYZHRSK-LLVKDONJSA-N -1 3 360.461 0.147 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H](O)[C@H](O)c1nc2ccccc2s1 ZINC001632758919 1282204320 /nfs/dbraw/zinc/20/43/20/1282204320.db2.gz YJZLYLMOIKHABL-WQAKAFBOSA-N -1 3 362.411 0.319 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H](O)[C@H](O)c1nc2ccccc2s1 ZINC001632758916 1282204503 /nfs/dbraw/zinc/20/45/03/1282204503.db2.gz YJZLYLMOIKHABL-ICCXJUOJSA-N -1 3 362.411 0.319 10 0 FCAEHM CCOC(Cn1cc(C(=O)NCCc2c(C)[n-][nH]c2=O)cn1)OCC ZINC001632758815 1282204834 /nfs/dbraw/zinc/20/48/34/1282204834.db2.gz TYQNAMMNZSWLBP-CYBMUJFWSA-N -1 3 351.407 0.524 10 0 FCAEHM O=C(CCNS(=O)(=O)c1ccc(F)cc1)NCCCc1c[n-][nH]c1=O ZINC001585932889 1282257234 /nfs/dbraw/zinc/25/72/34/1282257234.db2.gz BAOLHWRORIPBLT-NSHDSACASA-N -1 3 370.406 0.122 10 0 FCAEHM C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)c1nc[n-]c(=O)c1Br ZINC001634215366 1282310697 /nfs/dbraw/zinc/31/06/97/1282310697.db2.gz VDSHLYONYDYRCK-SECBINFHSA-N -1 3 373.251 0.862 10 0 FCAEHM CCOC(=O)[C@@]1(CNC(=O)Cc2c(C)nc(C)[n-]c2=O)CCCOC1 ZINC001634428096 1282328426 /nfs/dbraw/zinc/32/84/26/1282328426.db2.gz OAICXDLUYHNZPM-QGZVFWFLSA-N -1 3 351.403 0.818 10 0 FCAEHM CCOC(=O)[C@]1(CNC(=O)Cc2c(C)nc(C)[n-]c2=O)CCCOC1 ZINC001634428095 1282328822 /nfs/dbraw/zinc/32/88/22/1282328822.db2.gz OAICXDLUYHNZPM-KRWDZBQOSA-N -1 3 351.403 0.818 10 0 FCAEHM C[C@@]1(C2CCN(C(=O)c3cc(=O)[n-]c(C4CC4)n3)CC2)NC(=O)NC1=O ZINC001634457985 1282331920 /nfs/dbraw/zinc/33/19/20/1282331920.db2.gz UGNUGMGHXPDFAP-KRWDZBQOSA-N -1 3 359.386 0.510 10 0 FCAEHM Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)NCCc2n[n-]c(=S)o2)cn1 ZINC001634591150 1282337849 /nfs/dbraw/zinc/33/78/49/1282337849.db2.gz SKCCCGCQKBLMIY-NEPJUHHUSA-N -1 3 350.448 0.486 10 0 FCAEHM Cc1c[nH]c(CC(N)=O)c1C(=O)N1CCN(c2nc(C)cc(=O)[n-]2)CC1 ZINC001634977967 1282368881 /nfs/dbraw/zinc/36/88/81/1282368881.db2.gz PSAPMZLDQJIZDX-UHFFFAOYSA-N -1 3 358.402 0.117 10 0 FCAEHM C[C@H](NC(=O)[C@H]1COCCN1CC(F)F)c1nc(C(F)(F)F)n[n-]1 ZINC001636091308 1282458894 /nfs/dbraw/zinc/45/88/94/1282458894.db2.gz CAIMOZIJYHNYRX-NKWVEPMBSA-N -1 3 357.283 0.967 10 0 FCAEHM CN(Cc1ncccn1)C(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001636505411 1282507454 /nfs/dbraw/zinc/50/74/54/1282507454.db2.gz GHKCFJPSZWPKQV-UHFFFAOYSA-N -1 3 355.329 0.936 10 0 FCAEHM CN(Cc1ncccn1)C(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001636505411 1282507461 /nfs/dbraw/zinc/50/74/61/1282507461.db2.gz GHKCFJPSZWPKQV-UHFFFAOYSA-N -1 3 355.329 0.936 10 0 FCAEHM O=C(C[C@H]1NC(=O)c2ccccc21)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001636855848 1282542528 /nfs/dbraw/zinc/54/25/28/1282542528.db2.gz SWXNUIBJUILHQX-BXUZGUMPSA-N -1 3 353.382 0.752 10 0 FCAEHM Cc1nn(C)cc1C1=NO[C@@H](C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)C1 ZINC001636855834 1282542669 /nfs/dbraw/zinc/54/26/69/1282542669.db2.gz SSTBXLWEEXQGPK-BXUZGUMPSA-N -1 3 371.401 0.112 10 0 FCAEHM Cc1nnnn1-c1ccc(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1 ZINC001636854418 1282542701 /nfs/dbraw/zinc/54/27/01/1282542701.db2.gz ANNPBXQYFJALPS-ZDUSSCGKSA-N -1 3 366.385 0.475 10 0 FCAEHM O=C(C[C@@H]1Oc2ccccc2NC1=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001636855029 1282543116 /nfs/dbraw/zinc/54/31/16/1282543116.db2.gz JPKRXCWLDPSCNL-RISCZKNCSA-N -1 3 369.381 0.667 10 0 FCAEHM CCCCCS(=O)(=O)CC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001636855955 1282544119 /nfs/dbraw/zinc/54/41/19/1282544119.db2.gz WCKOHNVKXJFELP-LBPRGKRZSA-N -1 3 356.448 0.482 10 0 FCAEHM O=C(NCCCc1cc(=O)[nH][n-]1)[C@@H](O)[C@](O)(c1ccccc1)C(F)(F)F ZINC001637041734 1282553122 /nfs/dbraw/zinc/55/31/22/1282553122.db2.gz RGTQHKKXAVVBFN-UKRRQHHQSA-N -1 3 373.331 0.570 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(S(N)(=O)=O)ccc1Cl ZINC001638310108 1282682693 /nfs/dbraw/zinc/68/26/93/1282682693.db2.gz DTPHXURMFUMICJ-VIFPVBQESA-N -1 3 358.807 0.229 10 0 FCAEHM CC[C@H](NC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)[C@@H](O)C(F)(F)F ZINC001638865062 1282728957 /nfs/dbraw/zinc/72/89/57/1282728957.db2.gz GCCHFLSESWHUPK-VDDIYKPWSA-N -1 3 363.340 0.762 10 0 FCAEHM O=C(NC[C@@H](O)c1ccc(F)cc1)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001638865332 1282729265 /nfs/dbraw/zinc/72/92/65/1282729265.db2.gz NFNRBZYOTQQMJX-UONOGXRCSA-N -1 3 361.377 0.933 10 0 FCAEHM Cc1nc(C)c(CCC(=O)NCCS(=O)(=O)C(F)(F)F)c(=O)[n-]1 ZINC001638909699 1282734306 /nfs/dbraw/zinc/73/43/06/1282734306.db2.gz JNLASLGNGNAWGA-UHFFFAOYSA-N -1 3 355.338 0.782 10 0 FCAEHM Cc1nc(C)c(CCC(=O)N2CCC3(CC2)C[C@@H](O)CNC3=O)c(=O)[n-]1 ZINC001639099145 1282747180 /nfs/dbraw/zinc/74/71/80/1282747180.db2.gz PBAOHNPGSIYSCU-CYBMUJFWSA-N -1 3 362.430 0.221 10 0 FCAEHM CC1(C)NC(=O)N(CCCNC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C1=O ZINC001639131655 1282750384 /nfs/dbraw/zinc/75/03/84/1282750384.db2.gz PWYLJHJCYSCNBF-UHFFFAOYSA-N -1 3 358.354 0.021 10 0 FCAEHM O=C(N[C@H](CO)C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1)OCc1ccccc1 ZINC001639639800 1282800223 /nfs/dbraw/zinc/80/02/23/1282800223.db2.gz IVBXUABRBLJMMC-UKRRQHHQSA-N -1 3 374.397 0.719 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(C(=O)c3cc(C=O)n(C)n3)CC2)n[n-]1 ZINC001639810008 1282817178 /nfs/dbraw/zinc/81/71/78/1282817178.db2.gz PAEWMASNIUUSCI-UHFFFAOYSA-N -1 3 360.374 0.547 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(C(=O)c3cc(C=O)n(C)n3)CC2)[n-]1 ZINC001639810008 1282817187 /nfs/dbraw/zinc/81/71/87/1282817187.db2.gz PAEWMASNIUUSCI-UHFFFAOYSA-N -1 3 360.374 0.547 10 0 FCAEHM COCCN1C[C@H](C(=O)Nc2cc(C(=O)OC)cc(OC)c2[O-])CC1=O ZINC001640000729 1282831220 /nfs/dbraw/zinc/83/12/20/1282831220.db2.gz GOOKCWQPAWICAV-LLVKDONJSA-N -1 3 366.370 0.621 10 0 FCAEHM Cc1sc(=O)n(CCC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)c1C ZINC001640104537 1282838246 /nfs/dbraw/zinc/83/82/46/1282838246.db2.gz GJQRNXKAZHQCIV-GFCCVEGCSA-N -1 3 363.443 0.807 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cncc(-n2ccnn2)c1 ZINC001640110078 1282839193 /nfs/dbraw/zinc/83/91/93/1282839193.db2.gz MKIAQUPIOZTLEV-GFCCVEGCSA-N -1 3 352.358 0.167 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cccc(-n2ccnn2)c1 ZINC001640104642 1282839698 /nfs/dbraw/zinc/83/96/98/1282839698.db2.gz JKJFRGXMGCRFJZ-ZDUSSCGKSA-N -1 3 351.370 0.772 10 0 FCAEHM COc1cc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)sc1S(N)(=O)=O ZINC001640594847 1282878643 /nfs/dbraw/zinc/87/86/43/1282878643.db2.gz IQHMRPGXJNWZPR-SSDOTTSWSA-N -1 3 372.428 0.463 10 0 FCAEHM CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)C1 ZINC001640599318 1282880680 /nfs/dbraw/zinc/88/06/80/1282880680.db2.gz AMPNZKINCTWXSB-NSHDSACASA-N -1 3 366.418 0.803 10 0 FCAEHM Cc1cc(=O)[n-]c(CNC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)n1 ZINC001640614198 1282881466 /nfs/dbraw/zinc/88/14/66/1282881466.db2.gz NBBIJNHBSDZZBU-UHFFFAOYSA-N -1 3 355.354 0.472 10 0 FCAEHM Cc1cc(=O)[n-]c(CNC(=O)[C@]2(C)C[C@@H](O)CN2C(=O)OC(C)(C)C)n1 ZINC001640617294 1282882668 /nfs/dbraw/zinc/88/26/68/1282882668.db2.gz CCEHSLGORFLRDL-DIFFPNOSSA-N -1 3 366.418 0.867 10 0 FCAEHM CC(C)NS(=O)(=O)c1ccc(C(=O)[N-]N2C(=O)[C@H](C)N(C)C2=O)cc1 ZINC001640914878 1282914167 /nfs/dbraw/zinc/91/41/67/1282914167.db2.gz UULUOLCFPGDMOF-JTQLQIEISA-N -1 3 368.415 0.301 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)c1nn(-c2ccc(F)cc2)ccc1=O ZINC001641484071 1282957073 /nfs/dbraw/zinc/95/70/73/1282957073.db2.gz YBCHIAHELRLPQH-LLVKDONJSA-N -1 3 357.345 0.613 10 0 FCAEHM Cc1nc(C)c(CCC(=O)N2CCC(O)(COCCO)CC2)c(=O)[n-]1 ZINC001641873072 1282977714 /nfs/dbraw/zinc/97/77/14/1282977714.db2.gz FGUBZAIQEBEOST-UHFFFAOYSA-N -1 3 353.419 0.094 10 0 FCAEHM C[C@]1(C2CCN(C(=O)CNC(=O)c3ccc([O-])cc3)CC2)COC(=O)N1 ZINC001641871539 1282977952 /nfs/dbraw/zinc/97/79/52/1282977952.db2.gz WGVTYLMIFDZAHU-GOSISDBHSA-N -1 3 361.398 0.859 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)C3=CS(=O)(=O)CCC3)cc2n(C)c1=O ZINC001641927938 1282981879 /nfs/dbraw/zinc/98/18/79/1282981879.db2.gz XRMSBFITJWJMTK-UHFFFAOYSA-N -1 3 351.384 0.614 10 0 FCAEHM CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NCCCc1c[n-][nH]c1=O ZINC001642444982 1283010449 /nfs/dbraw/zinc/01/04/49/1283010449.db2.gz DUWPOBAZKCGYFW-CHWSQXEVSA-N -1 3 358.464 0.209 10 0 FCAEHM CCOC(=O)c1ncc(Br)c(NCCCc2c[n-][nH]c2=O)n1 ZINC001642997211 1283052785 /nfs/dbraw/zinc/05/27/85/1283052785.db2.gz RTSLQJFMWWRTMU-QMMMGPOBSA-N -1 3 370.207 0.762 10 0 FCAEHM Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@@H](CO)CNC(=O)c2cnc[n-]c2=O)c1 ZINC001680305677 1283410933 /nfs/dbraw/zinc/41/09/33/1283410933.db2.gz KQPWDIUTYWESKP-QLFBSQMISA-N -1 3 370.409 0.501 10 0 FCAEHM CC[C@@H](C)C(=O)N[C@@H]1CN(C(=O)CCc2c(C)nc[n-]c2=O)C[C@H]1O ZINC001682335202 1283570724 /nfs/dbraw/zinc/57/07/24/1283570724.db2.gz PFZSWPNKTWTSMC-LERXQTSPSA-N -1 3 350.419 0.157 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CN(C(=O)[C@H](C)CC(C)C)C[C@H]1O ZINC001682606010 1283712745 /nfs/dbraw/zinc/71/27/45/1283712745.db2.gz FWYRDSOSONYECU-RAIGVLPGSA-N -1 3 350.419 0.474 10 0 FCAEHM C[C@H](CC(=O)N1C[C@H]2CCN(C(=O)c3ccccc3[O-])C[C@H]21)NC(N)=O ZINC001683785088 1284106926 /nfs/dbraw/zinc/10/69/26/1284106926.db2.gz ONKLEVWKKDIPBH-YRGRVCCFSA-N -1 3 360.414 0.512 10 0 FCAEHM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1cnc[n-]c1=O ZINC001684676386 1284245559 /nfs/dbraw/zinc/24/55/59/1284245559.db2.gz LQNXSHXYNZEKBA-MDZLAQPJSA-N -1 3 363.418 0.064 10 0 FCAEHM CCC[C@H](CC(C)C)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1O ZINC001719108310 1287755538 /nfs/dbraw/zinc/75/55/38/1287755538.db2.gz WOFCFOLFBOFUGG-BPLDGKMQSA-N -1 3 364.446 0.946 10 0 FCAEHM COC[C@@H](C)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001702522414 1285696615 /nfs/dbraw/zinc/69/66/15/1285696615.db2.gz WTFBZQUUPCXLRV-KGYLQXTDSA-N -1 3 350.419 0.788 10 0 FCAEHM Cc1cc(CC(=O)NC[C@H]2CC[C@@H](NC(=O)c3cnc[n-]c3=O)C2)no1 ZINC001702524253 1285698642 /nfs/dbraw/zinc/69/86/42/1285698642.db2.gz ZEKBZIKNEIWJHX-NWDGAFQWSA-N -1 3 359.386 0.736 10 0 FCAEHM Cc1ccn([C@@H](C)CC(=O)NC[C@H]2CC[C@@H](NC(=O)c3cn[n-]n3)C2)n1 ZINC001702546403 1285717446 /nfs/dbraw/zinc/71/74/46/1285717446.db2.gz FATAPOMWYOZJDY-MELADBBJSA-N -1 3 359.434 0.976 10 0 FCAEHM CC(C)C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@@H]2CCO[C@H]2C2CC2)n1 ZINC001702604048 1285750607 /nfs/dbraw/zinc/75/06/07/1285750607.db2.gz JKWUMXZBWRMITM-CJNGLKHVSA-N -1 3 362.430 0.886 10 0 FCAEHM CC/C(C)=C\C(=O)N[C@@H]1CN(C(=O)Cc2c(C)nc(C)[n-]c2=O)C[C@@H]1O ZINC001735919670 1289029320 /nfs/dbraw/zinc/02/93/20/1289029320.db2.gz HDXCJGGZIPENLH-FVGUCBIESA-N -1 3 362.430 0.386 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CNC(=O)C1(F)CCOCC1 ZINC001702801603 1285885195 /nfs/dbraw/zinc/88/51/95/1285885195.db2.gz LWNDYGHSFWQGGO-VXGBXAGGSA-N -1 3 366.393 0.525 10 0 FCAEHM CCCOCC(=O)NCC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001702830700 1285923382 /nfs/dbraw/zinc/92/33/82/1285923382.db2.gz FVASJZHRAIZSED-CHWSQXEVSA-N -1 3 350.419 0.823 10 0 FCAEHM COCCCOCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc[n-]c1=O)C2 ZINC001702991291 1286041001 /nfs/dbraw/zinc/04/10/01/1286041001.db2.gz LPJQKODMHKIZQR-BNOWGMLFSA-N -1 3 364.402 0.097 10 0 FCAEHM O=C(CCn1ccnc1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O ZINC001703001908 1286047356 /nfs/dbraw/zinc/04/73/56/1286047356.db2.gz IZZOYKKCHGQOPE-BNOWGMLFSA-N -1 3 356.386 0.331 10 0 FCAEHM O=C(CCCC(F)(F)F)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1 ZINC001735934001 1289050152 /nfs/dbraw/zinc/05/01/52/1289050152.db2.gz MUNTVXQBTWYJMP-ZJUUUORDSA-N -1 3 362.308 0.216 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)NCCCNC(=O)CCc1c(C)nc[n-]c1=O ZINC001703399860 1286104917 /nfs/dbraw/zinc/10/49/17/1286104917.db2.gz IWJHDHMZBYDVEM-CABCVRRESA-N -1 3 364.446 0.861 10 0 FCAEHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](CNS(C)(=O)=O)C2)c1 ZINC001594869929 1286235916 /nfs/dbraw/zinc/23/59/16/1286235916.db2.gz CNFHSPVVFJEIGC-LLVKDONJSA-N -1 3 355.416 0.362 10 0 FCAEHM COc1ccc(NC(=O)C(=O)N[C@H]2CCN(c3nc(C)cc(=O)[n-]3)C2)cc1 ZINC001595968130 1286276047 /nfs/dbraw/zinc/27/60/47/1286276047.db2.gz DNBOUOXJPHWUNN-ZDUSSCGKSA-N -1 3 371.397 0.833 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)c3ccc(-n4ccnc4)nn3)CC2)n1 ZINC001596356069 1286298660 /nfs/dbraw/zinc/29/86/60/1286298660.db2.gz ZCEBCDIQVWIGAE-UHFFFAOYSA-N -1 3 366.385 0.429 10 0 FCAEHM O=C([N-]Cc1cn(CC(F)(F)F)c(=O)[nH]c1=O)C(F)(F)C1(O)CCC1 ZINC001596555176 1286307471 /nfs/dbraw/zinc/30/74/71/1286307471.db2.gz PXHWLKHRGDILJG-UHFFFAOYSA-N -1 3 371.262 0.678 10 0 FCAEHM C[C@@H](CNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])c1ncon1 ZINC001597318041 1286338471 /nfs/dbraw/zinc/33/84/71/1286338471.db2.gz GXWMDIIRTAUOMA-VIFPVBQESA-N -1 3 359.317 0.790 10 0 FCAEHM C[C@@H](CNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O)c1ncon1 ZINC001597318041 1286338478 /nfs/dbraw/zinc/33/84/78/1286338478.db2.gz GXWMDIIRTAUOMA-VIFPVBQESA-N -1 3 359.317 0.790 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC/C=C\CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001705088408 1286348032 /nfs/dbraw/zinc/34/80/32/1286348032.db2.gz LOMJITJIWWXHIN-CLGDDFHISA-N -1 3 360.414 0.708 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)N1CC[C@](C)(CNC(=O)c2cnc[n-]c2=O)C1 ZINC001705426785 1286389907 /nfs/dbraw/zinc/38/99/07/1286389907.db2.gz BPPCRUVZIBRCFM-UVBSCNOISA-N -1 3 362.430 0.966 10 0 FCAEHM CC(=O)CCCC(=O)N1C[C@H]2CCN(C(=O)c3c(C)nc[n-]c3=O)C[C@H]21 ZINC001735966665 1289096313 /nfs/dbraw/zinc/09/63/13/1289096313.db2.gz FZGDDCOOMREKOW-ZIAGYGMSSA-N -1 3 360.414 0.923 10 0 FCAEHM O=C(Cc1cccnc1)NC[C@H]1CC[C@@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001736095995 1289141078 /nfs/dbraw/zinc/14/10/78/1289141078.db2.gz RJTYDHUJXISDJN-UONOGXRCSA-N -1 3 355.398 0.835 10 0 FCAEHM CC(C)CC1(C(=O)N[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@@H]2O)CCC1 ZINC001719294678 1288052881 /nfs/dbraw/zinc/05/28/81/1288052881.db2.gz SDOBEQIDZVBEAV-KGLIPLIRSA-N -1 3 362.430 0.700 10 0 FCAEHM Cc1n[nH]c(C)c1[C@@H](C)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC001719465496 1288130965 /nfs/dbraw/zinc/13/09/65/1288130965.db2.gz YFPVZPKKNWAMGG-JIMOISOXSA-N -1 3 359.434 0.963 10 0 FCAEHM CN(CCCNC(=O)[C@@H]1C[C@H]1c1cncn1C)C(=O)c1cnc[n-]c1=O ZINC001720564471 1288240328 /nfs/dbraw/zinc/24/03/28/1288240328.db2.gz CHQUITTYGGOYJN-VXGBXAGGSA-N -1 3 358.402 0.298 10 0 FCAEHM Cn1cncc1[C@@H]1C[C@H]1C(=O)N(CCNC(=O)c1cnc[n-]c1=O)C1CC1 ZINC001721235604 1288317550 /nfs/dbraw/zinc/31/75/50/1288317550.db2.gz LRUFVMNTBAMNAS-CHWSQXEVSA-N -1 3 370.413 0.440 10 0 FCAEHM C[C@@](CNC(=O)c1cnc[n-]c1=O)(NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C1CC1 ZINC001721539629 1288347238 /nfs/dbraw/zinc/34/72/38/1288347238.db2.gz PPXFUXFYJQEVTJ-FMTVUPSXSA-N -1 3 370.413 0.724 10 0 FCAEHM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)NCc1cc(=O)n2[n-]ccc2n1 ZINC001725506491 1288469295 /nfs/dbraw/zinc/46/92/95/1288469295.db2.gz OTIWGBNUDFSHJJ-MYPMTAMASA-N -1 3 359.430 0.527 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)N[C@H](C)CN(C)C(=O)c1c(C)nc[n-]c1=O ZINC001735228028 1288707358 /nfs/dbraw/zinc/70/73/58/1288707358.db2.gz SPHACYRQOKEKRG-QKCSRTOESA-N -1 3 350.419 0.882 10 0 FCAEHM CCC[C@@H]1C[C@H]1C(=O)N(C)C[C@H](O)CN(C)C(=O)c1c(C)nc[n-]c1=O ZINC001735432932 1288741838 /nfs/dbraw/zinc/74/18/38/1288741838.db2.gz RBTCXPLECIQCKM-HZSPNIEDSA-N -1 3 364.446 0.818 10 0 FCAEHM CCN(C(=O)c1ccccc1[O-])[C@H](C)CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001735609119 1288758731 /nfs/dbraw/zinc/75/87/31/1288758731.db2.gz DEVPSAHRCRCOHL-BYCMXARLSA-N -1 3 363.414 0.392 10 0 FCAEHM O=C(C=CC1CC1)NCc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)n1 ZINC001736172860 1289188184 /nfs/dbraw/zinc/18/81/84/1289188184.db2.gz VIYUEQTUAKIORQ-NPEJGHKASA-N -1 3 372.425 0.948 10 0 FCAEHM COCCCCC(=O)N1C[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@]2(C)C1 ZINC001736338633 1289265525 /nfs/dbraw/zinc/26/55/25/1289265525.db2.gz MGVISJRKBPQEBI-ACJLOTCBSA-N -1 3 362.430 0.919 10 0 FCAEHM CC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001736524534 1289411997 /nfs/dbraw/zinc/41/19/97/1289411997.db2.gz TWPKZMGNGMBALK-BZPMIXESSA-N -1 3 373.413 0.057 10 0 FCAEHM C[C@H](NC(N)=O)C(=O)N[C@]12CCC[C@H]1CN(C(=O)c1ccccc1[O-])C2 ZINC001736599365 1289465016 /nfs/dbraw/zinc/46/50/16/1289465016.db2.gz KAZWARAJWPFTMJ-PZROIBLQSA-N -1 3 360.414 0.560 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N(C)CCCNC(=O)[C@]12C[C@H]1COC2 ZINC001737150991 1289514107 /nfs/dbraw/zinc/51/41/07/1289514107.db2.gz SXHHWIGXTTWULF-UGSOOPFHSA-N -1 3 362.430 0.424 10 0 FCAEHM Cn1cc([C@@H]2C[C@H]2C(=O)N[C@@H](CNC(=O)c2cnc[n-]c2=O)C2CC2)cn1 ZINC001737391762 1289541314 /nfs/dbraw/zinc/54/13/14/1289541314.db2.gz FKNLLECIJADAQN-GUTXKFCHSA-N -1 3 370.413 0.344 10 0 FCAEHM C[C@@H](CNC(=O)c1cnc(C2CC2)[n-]c1=O)NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001737561554 1289559063 /nfs/dbraw/zinc/55/90/63/1289559063.db2.gz MBEXLYCUEGUQCH-MVWJERBFSA-N -1 3 370.413 0.821 10 0 FCAEHM C[C@@H](CN(C)C(=O)c1ccc(CN2CCN(C)CC2)s1)c1nn[n-]n1 ZINC001611062359 1289626570 /nfs/dbraw/zinc/62/65/70/1289626570.db2.gz BOISNPIJGCTWPM-LBPRGKRZSA-N -1 3 363.491 0.884 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)C[C@H]2C(=O)Nc3c2cccc3F)[n-]1 ZINC001611155361 1289633769 /nfs/dbraw/zinc/63/37/69/1289633769.db2.gz ZKMXVZVQXVENDR-SECBINFHSA-N -1 3 361.333 0.863 10 0 FCAEHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001611326100 1289642111 /nfs/dbraw/zinc/64/21/11/1289642111.db2.gz DKCLFJKXZAZQIX-QGZVFWFLSA-N -1 3 362.407 0.611 10 0 FCAEHM O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001611538379 1289655948 /nfs/dbraw/zinc/65/59/48/1289655948.db2.gz UAQNXWJHQFJHQD-UHFFFAOYSA-N -1 3 359.367 0.203 10 0 FCAEHM O=C(N[C@@H](CO)CNC(=O)[C@@H]1C[C@H]1c1ccncc1)c1ccccc1[O-] ZINC001701690760 1289682505 /nfs/dbraw/zinc/68/25/05/1289682505.db2.gz AXIYVDGSVCVRID-VNQPRFMTSA-N -1 3 355.394 0.798 10 0 FCAEHM CN(C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)[C@H]1CN2CCC1CC2 ZINC001614992135 1289750182 /nfs/dbraw/zinc/75/01/82/1289750182.db2.gz MZLOFPPOAOGTEZ-AWEZNQCLSA-N -1 3 373.425 0.796 10 0 FCAEHM CSc1ncc(C(=O)NC2CCN(CC(=O)N(C)C)CC2)c(=O)[n-]1 ZINC001615448271 1289756367 /nfs/dbraw/zinc/75/63/67/1289756367.db2.gz QJBWIULPKWJKDQ-UHFFFAOYSA-N -1 3 353.448 0.187 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C=Cc1cc2cnn(C(C)C)c2[nH]c1=O ZINC001615925558 1289764349 /nfs/dbraw/zinc/76/43/49/1289764349.db2.gz LQLAAASZKZEHEY-WSNITJDQSA-N -1 3 370.413 0.947 10 0 FCAEHM O=C(N[C@H](CCNC(=O)[C@]12C[C@H]1COC2)Cc1ccccc1)c1cn[n-]n1 ZINC001739001011 1289770045 /nfs/dbraw/zinc/77/00/45/1289770045.db2.gz BDGAMSKARYDTDT-KHYOSLBOSA-N -1 3 369.425 0.689 10 0 FCAEHM C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@H](NC(=O)c1cnc[n-]c1=O)C(C)(C)C ZINC001739103255 1289802718 /nfs/dbraw/zinc/80/27/18/1289802718.db2.gz POOFRSQVQONNMJ-UHTWSYAYSA-N -1 3 366.418 0.247 10 0 FCAEHM CC[C@@H](CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1)C(C)(C)C ZINC001702185201 1289806338 /nfs/dbraw/zinc/80/63/38/1289806338.db2.gz APNKSFMAGOXODP-IACUBPJLSA-N -1 3 364.446 0.946 10 0 FCAEHM CSC[C@@H](C)C(=O)N1CC[C@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@H]21 ZINC001739367380 1289859245 /nfs/dbraw/zinc/85/92/45/1289859245.db2.gz GXRHEKZXQNPLFX-NTZNESFSSA-N -1 3 350.444 0.854 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(C(=O)[C@]3(CC)CCNC3=O)CC2)n[n-]1 ZINC001618409407 1289904543 /nfs/dbraw/zinc/90/45/43/1289904543.db2.gz PMBTVFVTZUWKQX-QGZVFWFLSA-N -1 3 363.418 0.604 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(C(=O)[C@]3(CC)CCNC3=O)CC2)[n-]1 ZINC001618409407 1289904550 /nfs/dbraw/zinc/90/45/50/1289904550.db2.gz PMBTVFVTZUWKQX-QGZVFWFLSA-N -1 3 363.418 0.604 10 0 FCAEHM CCOC(=O)N1CSC[C@H]1C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC001622743867 1290182726 /nfs/dbraw/zinc/18/27/26/1290182726.db2.gz MSWXGXPVAANYGD-ZDUSSCGKSA-N -1 3 367.427 0.770 10 0 FCAEHM O=C(CCN1C(=O)NC2(CCCC2)C1=O)N1CCCc2c(=O)[n-]cnc21 ZINC001624726017 1290291766 /nfs/dbraw/zinc/29/17/66/1290291766.db2.gz XYSZZHYWSAGNAM-UHFFFAOYSA-N -1 3 359.386 0.716 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCc3c(nnn3CCOC)C2)c1 ZINC001624886409 1290303830 /nfs/dbraw/zinc/30/38/30/1290303830.db2.gz YVFDKDSZLQGVAH-UHFFFAOYSA-N -1 3 371.397 0.953 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NC2CCC3(CC2)NC(=O)NC3=O)c1 ZINC001627114192 1290438823 /nfs/dbraw/zinc/43/88/23/1290438823.db2.gz NEGVHUYNXJXAJP-UHFFFAOYSA-N -1 3 372.381 0.767 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC001627153715 1290441833 /nfs/dbraw/zinc/44/18/33/1290441833.db2.gz XUKSCEVJNFVCHM-PXAZEXFGSA-N -1 3 368.434 0.377 10 0 FCAEHM NC(=O)CN(C(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])C1CCCC1 ZINC001627304181 1290453771 /nfs/dbraw/zinc/45/37/71/1290453771.db2.gz HAPJSDKIONWKPQ-UHFFFAOYSA-N -1 3 374.372 0.744 10 0 FCAEHM NC(=O)CN(C(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O)C1CCCC1 ZINC001627304181 1290453774 /nfs/dbraw/zinc/45/37/74/1290453774.db2.gz HAPJSDKIONWKPQ-UHFFFAOYSA-N -1 3 374.372 0.744 10 0 FCAEHM CCCC(=O)NCc1nc(CNC(=O)[C@H]2OCCO[C@H]2C)cc(=O)[n-]1 ZINC001739980376 1290457651 /nfs/dbraw/zinc/45/76/51/1290457651.db2.gz JCYRWJWRWQOVFG-BONVTDFDSA-N -1 3 352.391 0.019 10 0 FCAEHM CC=C(C)C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)n1 ZINC001739983709 1290458386 /nfs/dbraw/zinc/45/83/86/1290458386.db2.gz UEXFACUIMRBLSM-MXUOJZLISA-N -1 3 370.413 0.908 10 0 FCAEHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)CC2(n3cnnn3)CCOCC2)n1 ZINC001628213541 1290516996 /nfs/dbraw/zinc/51/69/96/1290516996.db2.gz MTYGZLWKSJNSPS-UHFFFAOYSA-N -1 3 361.406 0.424 10 0 FCAEHM C[C@]1(c2ccc(C(=O)N3CC[C@H](c4cc(=O)[nH][n-]4)C3)cc2)NC(=O)NC1=O ZINC001628247483 1290519716 /nfs/dbraw/zinc/51/97/16/1290519716.db2.gz YULHUVKUQVXAMO-BBATYDOGSA-N -1 3 369.381 0.800 10 0 FCAEHM O=C(CCN1C(=O)COc2ccccc21)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001628254824 1290520309 /nfs/dbraw/zinc/52/03/09/1290520309.db2.gz FSJPHNZGHPTWKA-UHFFFAOYSA-N -1 3 360.395 0.903 10 0 FCAEHM C[C@]1(c2ccc(C(=O)NCc3cc(=O)[n-]c(=S)[nH]3)cc2)NC(=O)NC1=O ZINC001628258871 1290520656 /nfs/dbraw/zinc/52/06/56/1290520656.db2.gz GZILGPOJFWUVFK-MRXNPFEDSA-N -1 3 373.394 0.456 10 0 FCAEHM CC(C)NC(=O)CCCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn[n-]n1)C2 ZINC001740318110 1290532024 /nfs/dbraw/zinc/53/20/24/1290532024.db2.gz NKACMDJFFWOTMH-DYEKYZERSA-N -1 3 362.434 0.361 10 0 FCAEHM O=C([N-]c1cc2oc(=O)[nH]c2cc1F)c1nc2ncc(CCO)cn2n1 ZINC001629005374 1290568516 /nfs/dbraw/zinc/56/85/16/1290568516.db2.gz QKNKVBFARLARTH-UHFFFAOYSA-N -1 3 358.289 0.897 10 0 FCAEHM CC(C)(C)OC(=O)N[C@H]1CCO[C@](C)(C(=O)[N-]c2nnc3[nH]cnn23)C1 ZINC001628997675 1290568934 /nfs/dbraw/zinc/56/89/34/1290568934.db2.gz AUHQHXHWWIFMJX-VFZGTOFNSA-N -1 3 365.394 0.853 10 0 FCAEHM O=C(CCNC(=O)c1[nH]nc2ccccc21)NCCCc1c[n-][nH]c1=O ZINC001630632431 1290683528 /nfs/dbraw/zinc/68/35/28/1290683528.db2.gz SZIMCRSPVGIATJ-NSHDSACASA-N -1 3 356.386 0.311 10 0 FCAEHM CNC(=O)NCCC(=O)NC[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC001757606837 1290792131 /nfs/dbraw/zinc/79/21/31/1290792131.db2.gz SMHVHGUINVWAKX-CHWSQXEVSA-N -1 3 362.430 0.536 10 0 FCAEHM CCc1cccc(C(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)OC)c1[O-] ZINC001643359441 1290876546 /nfs/dbraw/zinc/87/65/46/1290876546.db2.gz VKUMSXJPBADDQO-LBPRGKRZSA-N -1 3 355.412 0.757 10 0 FCAEHM Cc1nc2ccccc2c(=O)n1CC(=O)N1CCC(Cc2nnn[n-]2)CC1 ZINC001643899688 1290924085 /nfs/dbraw/zinc/92/40/85/1290924085.db2.gz AIPBEVJSCMKNPQ-UHFFFAOYSA-N -1 3 367.413 0.699 10 0 FCAEHM Cc1nc2ccccc2c(=O)n1CC(=O)N1CCC(Cc2nn[n-]n2)CC1 ZINC001643899688 1290924090 /nfs/dbraw/zinc/92/40/90/1290924090.db2.gz AIPBEVJSCMKNPQ-UHFFFAOYSA-N -1 3 367.413 0.699 10 0 FCAEHM COC1(OC)CC2(CN(C(=O)c3[nH]c(=O)[n-]c(=O)c3N)[C@H]2C(C)C)C1 ZINC001643978868 1290934621 /nfs/dbraw/zinc/93/46/21/1290934621.db2.gz BRZTVKQWEFMPLD-NSHDSACASA-N -1 3 352.391 0.720 10 0 FCAEHM O=C([C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001644261145 1290950160 /nfs/dbraw/zinc/95/01/60/1290950160.db2.gz NYSAWXDTKUATSK-YIZRAAEISA-N -1 3 367.349 0.654 10 0 FCAEHM CN1C(=O)CO[C@H](C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)[C@H]1c1cccnc1 ZINC001644260710 1290950181 /nfs/dbraw/zinc/95/01/81/1290950181.db2.gz DQDNLRWNVVLBLG-JLZZUVOBSA-N -1 3 371.397 0.425 10 0 FCAEHM C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001644260784 1290950407 /nfs/dbraw/zinc/95/04/07/1290950407.db2.gz GMDKJWFOAAABBL-ORAYPTAESA-N -1 3 370.409 0.838 10 0 FCAEHM CCOC(=O)[C@@]1(F)CN(Cc2cc(=O)n3nc(N)[n-]c3n2)C[C@@H]1CC ZINC001644460592 1290961730 /nfs/dbraw/zinc/96/17/30/1290961730.db2.gz HIMMTPUHFAIPJT-BJOHPYRUSA-N -1 3 352.370 0.113 10 0 FCAEHM COC(=O)c1ccc(C(=O)N2CCN(c3nc(C)cc(=O)[n-]3)CC2)nc1 ZINC001644863863 1290990136 /nfs/dbraw/zinc/99/01/36/1290990136.db2.gz WEMGZSAAXZXBAI-UHFFFAOYSA-N -1 3 357.370 0.635 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)c3cnc4sccn4c3=O)CC2)n1 ZINC001645591195 1291037327 /nfs/dbraw/zinc/03/73/27/1291037327.db2.gz DYGBKHHDXZWDNC-UHFFFAOYSA-N -1 3 372.410 0.522 10 0 FCAEHM NC(=O)[C@@H]1CC[C@H](C(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)O1 ZINC001646347312 1291063477 /nfs/dbraw/zinc/06/34/77/1291063477.db2.gz FNBDZSBFODDSTD-QWHCGFSZSA-N -1 3 358.354 0.738 10 0 FCAEHM NC(=O)[C@@H]1CC[C@H](C(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)O1 ZINC001646347312 1291063487 /nfs/dbraw/zinc/06/34/87/1291063487.db2.gz FNBDZSBFODDSTD-QWHCGFSZSA-N -1 3 358.354 0.738 10 0 FCAEHM O=C(c1nc[n-]c(=O)c1Br)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001648403267 1291120039 /nfs/dbraw/zinc/12/00/39/1291120039.db2.gz WRIGTAHZMFDLTJ-NXEZZACHSA-N -1 3 371.235 0.616 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)[C@@H]2CCN2Cc2ccc(OC)cc2)[n-]1 ZINC001650943285 1291187700 /nfs/dbraw/zinc/18/77/00/1291187700.db2.gz FHBCNKGYXMCVQK-AWEZNQCLSA-N -1 3 373.413 0.881 10 0 FCAEHM CCOC(=O)c1nc(CNC(=O)[C@@H]2CCN2Cc2ccc(OC)cc2)n[n-]1 ZINC001650943285 1291187702 /nfs/dbraw/zinc/18/77/02/1291187702.db2.gz FHBCNKGYXMCVQK-AWEZNQCLSA-N -1 3 373.413 0.881 10 0 FCAEHM CCOC(=O)c1n[n-]c(CNC(=O)[C@@H]2CCN2Cc2ccc(OC)cc2)n1 ZINC001650943285 1291187707 /nfs/dbraw/zinc/18/77/07/1291187707.db2.gz FHBCNKGYXMCVQK-AWEZNQCLSA-N -1 3 373.413 0.881 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NC[C@H]1CCC(C)(C)CO1 ZINC001651201777 1291206140 /nfs/dbraw/zinc/20/61/40/1291206140.db2.gz XUMQNEGVBJHKJE-GFCCVEGCSA-N -1 3 359.448 0.891 10 0 FCAEHM C[C@]1([C@@H]2CCCN(C(=O)c3ccc4c(c3)C(=O)[N-]C4=O)C2)COC(=O)N1 ZINC001651231869 1291208483 /nfs/dbraw/zinc/20/84/83/1291208483.db2.gz FDNJHDLDOHACPL-ADLMAVQZSA-N -1 3 357.366 0.921 10 0 FCAEHM CCOC(=O)N1C[C@@H](CO)[C@H](NC(=O)CCc2c(C)nc(C)[n-]c2=O)C1 ZINC001651260481 1291213529 /nfs/dbraw/zinc/21/35/29/1291213529.db2.gz GECRIENKNNDSDR-GXTWGEPZSA-N -1 3 366.418 0.297 10 0 FCAEHM O=C(CNC(=O)Cc1ccc([O-])c(F)c1)NCC(=O)NCc1ccccc1 ZINC001651566711 1291228164 /nfs/dbraw/zinc/22/81/64/1291228164.db2.gz CDGMVARMJLOBRB-UHFFFAOYSA-N -1 3 373.384 0.623 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CC[C@H](NC(=O)CCCCCS(N)(=O)=O)C2)n1 ZINC001651887027 1291248858 /nfs/dbraw/zinc/24/88/58/1291248858.db2.gz RQVUKJNJFSZGID-LBPRGKRZSA-N -1 3 371.463 0.034 10 0 FCAEHM CC(=O)c1ccc(C(=O)NCCS(=O)(=O)N=S(C)(C)=O)cc1[O-] ZINC001652112485 1291261250 /nfs/dbraw/zinc/26/12/50/1291261250.db2.gz AEBJIUVHUVUVIE-UHFFFAOYSA-N -1 3 362.429 0.382 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2C[C@@H](C(=O)OC)[C@@H]3C[C@@H]32)ccc1F ZINC001652415442 1291278661 /nfs/dbraw/zinc/27/86/61/1291278661.db2.gz YAHWDCLVEWFMRF-XZUYRWCXSA-N -1 3 370.402 0.661 10 0 FCAEHM O=C(CS(=O)(=O)C1CCCC1)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001653312078 1291334306 /nfs/dbraw/zinc/33/43/06/1291334306.db2.gz ATGYQFHBMKCQBM-LLVKDONJSA-N -1 3 354.432 0.235 10 0 FCAEHM CS(=O)(=O)C1CCC(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)CC1 ZINC001653312552 1291335229 /nfs/dbraw/zinc/33/52/29/1291335229.db2.gz LFFAWZNJDFGWSB-CPCZMJQVSA-N -1 3 368.459 0.481 10 0 FCAEHM COc1ccc(NC(=O)C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1 ZINC001653312927 1291335459 /nfs/dbraw/zinc/33/54/59/1291335459.db2.gz PRADZNXQFVTNDS-GFCCVEGCSA-N -1 3 357.370 0.524 10 0 FCAEHM O=C(Cc1ccc2c(c1)NC(=O)C2)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001653314189 1291337243 /nfs/dbraw/zinc/33/72/43/1291337243.db2.gz ZNUCNNBQRJDSEL-ZDUSSCGKSA-N -1 3 353.382 0.614 10 0 FCAEHM CS(=O)(=O)CC1(C(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)COC1 ZINC001653451505 1291344516 /nfs/dbraw/zinc/34/45/16/1291344516.db2.gz QGMQKNHHJQQUHU-HAQNSBGRSA-N -1 3 369.443 0.386 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)[C@@H](CC)NC(=O)OC(C)(C)C)[n-]1 ZINC001654490340 1291414101 /nfs/dbraw/zinc/41/41/01/1291414101.db2.gz OIFCWCNJSYNASC-SECBINFHSA-N -1 3 355.395 0.901 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N1CCC[C@@H]1C[C@]1(C)NC(=O)NC1=O ZINC001654565942 1291419122 /nfs/dbraw/zinc/41/91/22/1291419122.db2.gz HEBHGQRQKDPRRY-DIFFPNOSSA-N -1 3 361.402 0.402 10 0 FCAEHM CS(=O)(=O)NC[C@H]1CCN(Cc2nnc(-c3ccccc3[O-])o2)C1 ZINC001654721250 1291429479 /nfs/dbraw/zinc/42/94/79/1291429479.db2.gz BDBBXJGQFDBCSR-LLVKDONJSA-N -1 3 352.416 0.813 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N1CCCS(=O)(=O)C[C@@H]1C1CC1 ZINC001654835071 1291438899 /nfs/dbraw/zinc/43/88/99/1291438899.db2.gz HUPYOEMKHJIQTP-CQSZACIVSA-N -1 3 353.444 0.849 10 0 FCAEHM COc1cnc([C@@H]2CCCN2C[C@@H](O)CC2(O)CCOCC2)[n-]c1=O ZINC001655020111 1291449032 /nfs/dbraw/zinc/44/90/32/1291449032.db2.gz QKFZEUCPESGHOW-STQMWFEESA-N -1 3 353.419 0.620 10 0 FCAEHM Cc1cc(C(=O)NC2CCN(Cc3nc4c(c(=O)[n-]3)COCC4)CC2)no1 ZINC001657596259 1291614929 /nfs/dbraw/zinc/61/49/29/1291614929.db2.gz HUMUDUXZNXNFHJ-UHFFFAOYSA-N -1 3 373.413 0.946 10 0 FCAEHM C[C@H](CNCc1nc(=O)n(C)[n-]1)N(C)C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001666947745 1291925844 /nfs/dbraw/zinc/92/58/44/1291925844.db2.gz JNXXJAROVIBVMZ-KWCYVHTRSA-N -1 3 351.451 0.108 10 0 FCAEHM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N[C@H](CO)c1cccc(F)c1 ZINC001675456963 1292177263 /nfs/dbraw/zinc/17/72/63/1292177263.db2.gz WSFKMERKWZUQMZ-CQSZACIVSA-N -1 3 362.361 0.927 10 0 FCAEHM COCC(C)(C)C(=O)N[C@H]1CCN(C(=O)c2c(C)nc[n-]c2=O)[C@@H]1C ZINC001685307063 1292492876 /nfs/dbraw/zinc/49/28/76/1292492876.db2.gz FXBGFQGNRYFONP-NEPJUHHUSA-N -1 3 350.419 0.882 10 0 FCAEHM COC[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1C ZINC001685621764 1292574725 /nfs/dbraw/zinc/57/47/25/1292574725.db2.gz AIAYZVPNPSPXJJ-NQBHXWOUSA-N -1 3 350.419 0.597 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CCC2(COC(=O)N2)CC1 ZINC001685649857 1292582858 /nfs/dbraw/zinc/58/28/58/1292582858.db2.gz RYCJQIKEIACOPC-LLVKDONJSA-N -1 3 362.390 0.045 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@@H]1CN(C(=O)COCC2CC2)C[C@H]1C ZINC001685747199 1292619637 /nfs/dbraw/zinc/61/96/37/1292619637.db2.gz QSJJKTJYEKFZBK-BXUZGUMPSA-N -1 3 362.430 0.742 10 0 FCAEHM COCCOCCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc[n-]c1=O)C2 ZINC001686037388 1292739793 /nfs/dbraw/zinc/73/97/93/1292739793.db2.gz NABLXELQKWAAFV-XBFCOCLRSA-N -1 3 364.402 0.097 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCCO1 ZINC001686046653 1292744266 /nfs/dbraw/zinc/74/42/66/1292744266.db2.gz CDBKIXIMFZNCSY-SYAUCNOPSA-N -1 3 374.441 0.850 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCCO1 ZINC001686046651 1292744560 /nfs/dbraw/zinc/74/45/60/1292744560.db2.gz CDBKIXIMFZNCSY-OEAJRASXSA-N -1 3 374.441 0.850 10 0 FCAEHM O=C(NCC1CC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccccc1[O-] ZINC001686082790 1292759674 /nfs/dbraw/zinc/75/96/74/1292759674.db2.gz ISCUGCBDBKTZRA-SNPRPXQTSA-N -1 3 357.410 0.780 10 0 FCAEHM CNC(=O)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccccc2[O-])CC1 ZINC001686205886 1292825582 /nfs/dbraw/zinc/82/55/82/1292825582.db2.gz ZSFPNFVHIGNJFR-BNOWGMLFSA-N -1 3 357.410 0.780 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)NCCNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001686764210 1292956238 /nfs/dbraw/zinc/95/62/38/1292956238.db2.gz NJACNAUGQMPGJA-KDOFPFPSSA-N -1 3 362.430 0.615 10 0 FCAEHM Cn1cc([C@@H]2C[C@H]2C(=O)NC[C@H](NC(=O)c2cnc[n-]c2=O)C2CC2)cn1 ZINC001687972139 1293035504 /nfs/dbraw/zinc/03/55/04/1293035504.db2.gz RHOZKOKIXYTTPM-GUTXKFCHSA-N -1 3 370.413 0.344 10 0 FCAEHM CC[S@@](=O)CC[N-]S(=O)(=O)c1ccc(F)c(C(=O)OC)c1F ZINC000749179781 836346719 /nfs/dbraw/zinc/34/67/19/836346719.db2.gz HZDYGBGTTIVTFZ-OAQYLSRUSA-N -1 3 355.384 0.798 10 0 FCAEHM Cn1nccc1CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000751320027 836480147 /nfs/dbraw/zinc/48/01/47/836480147.db2.gz ORSGBQWNXRKQRA-UHFFFAOYSA-N -1 3 352.391 0.930 10 0 FCAEHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]CCOCCCO)c1F ZINC001117109801 846892793 /nfs/dbraw/zinc/89/27/93/846892793.db2.gz WKVDEKYJKPDBII-UHFFFAOYSA-N -1 3 353.343 0.429 10 0 FCAEHM Cc1noc([C@@H](C)[N-]S(=O)(=O)c2ccc3c(c2)CS(=O)(=O)C3)n1 ZINC001118306337 847372406 /nfs/dbraw/zinc/37/24/06/847372406.db2.gz MWWOLQYUHQOEQC-MRVPVSSYSA-N -1 3 357.413 0.846 10 0 FCAEHM Cc1noc([C@H](C)[N-]S(=O)(=O)c2ccc3c(c2)CS(=O)(=O)C3)n1 ZINC001118306338 847372719 /nfs/dbraw/zinc/37/27/19/847372719.db2.gz MWWOLQYUHQOEQC-QMMMGPOBSA-N -1 3 357.413 0.846 10 0 FCAEHM CS(=O)(=O)[C@@H]1CN(c2nc3nncc-3c(O)[n-]2)C[C@H]1C(F)(F)F ZINC001118597424 847492615 /nfs/dbraw/zinc/49/26/15/847492615.db2.gz MBJOZZIBXGWGBO-RNFRBKRXSA-N -1 3 351.310 0.470 10 0 FCAEHM COC(=O)c1ccc(CS(=O)(=O)NC2CCN(CC(=O)[O-])CC2)cc1 ZINC001118916413 847633962 /nfs/dbraw/zinc/63/39/62/847633962.db2.gz UQQFCZDOVLLONZ-UHFFFAOYSA-N -1 3 370.427 0.442 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-]C[C@@H]2CCOC2)c1I ZINC001118993349 847664629 /nfs/dbraw/zinc/66/46/29/847664629.db2.gz BIJQZPPSMAHXBK-ZETCQYMHSA-N -1 3 371.200 0.340 10 0 FCAEHM CN(C)Cc1ccc(S(=O)(=O)NC[C@]2(C(=O)[O-])CCCOC2)cc1 ZINC001119066175 847700227 /nfs/dbraw/zinc/70/02/27/847700227.db2.gz SZRBCIVCHWLVEN-MRXNPFEDSA-N -1 3 356.444 0.908 10 0 FCAEHM COC(=O)Cc1n[n-]c(NC(=O)[C@@]2(C(=O)OC(C)(C)C)CCCO2)n1 ZINC001136933112 849249695 /nfs/dbraw/zinc/24/96/95/849249695.db2.gz WBCJPXIRCQHNHU-OAHLLOKOSA-N -1 3 354.363 0.350 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)[C@@]2(C(=O)OC(C)(C)C)CCCO2)n[n-]1 ZINC001136933112 849249705 /nfs/dbraw/zinc/24/97/05/849249705.db2.gz WBCJPXIRCQHNHU-OAHLLOKOSA-N -1 3 354.363 0.350 10 0 FCAEHM CN1CCN(C(C)(C)CNC(=O)c2nc[n-]c(=O)c2Br)CC1 ZINC001144189455 849512281 /nfs/dbraw/zinc/51/22/81/849512281.db2.gz BZWSMULVGDDUCB-UHFFFAOYSA-N -1 3 372.267 0.701 10 0 FCAEHM CCS(=O)(=O)N1CCC[C@H](C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)C1 ZINC001144503169 849524088 /nfs/dbraw/zinc/52/40/88/849524088.db2.gz SVQGAUSGGLTEMY-RYUDHWBXSA-N -1 3 356.448 0.493 10 0 FCAEHM CC(C)(C)C(=O)NCC(=O)OCCC(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001144528666 849525325 /nfs/dbraw/zinc/52/53/25/849525325.db2.gz YTCWHPLMQUWJQC-UHFFFAOYSA-N -1 3 370.431 0.183 10 0 FCAEHM Cc1n[nH]nc1NC(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC001149277708 849634560 /nfs/dbraw/zinc/63/45/60/849634560.db2.gz NAYYFCXGPDDWLM-SSDOTTSWSA-N -1 3 358.811 0.857 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@H](N3CCOCC3)C2(C)C)co1 ZINC001164313422 850405505 /nfs/dbraw/zinc/40/55/05/850405505.db2.gz HZNFJOODZZFAEC-OLZOCXBDSA-N -1 3 371.459 0.417 10 0 FCAEHM CCS(=O)(=O)Nc1cccc(C(=O)NCCCc2c[n-][nH]c2=O)c1 ZINC001168401772 850585362 /nfs/dbraw/zinc/58/53/62/850585362.db2.gz APNLXIBUNVUBPD-LBPRGKRZSA-N -1 3 352.416 0.690 10 0 FCAEHM NS(=O)(=O)c1ccc(C(=O)NCc2cc(=O)[n-]c(C3CC3)n2)s1 ZINC001177645366 850857975 /nfs/dbraw/zinc/85/79/75/850857975.db2.gz YARZPELCJXETQR-UHFFFAOYSA-N -1 3 354.413 0.699 10 0 FCAEHM CCOC(=O)C1(CC(=O)Nc2n[n-]c(SCCO)n2)CCOCC1 ZINC001182930446 851209314 /nfs/dbraw/zinc/20/93/14/851209314.db2.gz BPDWJPMMQIAFKN-UHFFFAOYSA-N -1 3 358.420 0.578 10 0 FCAEHM COc1cc(OC)cc(S(=O)(=O)NC2CCN(CC(=O)[O-])CC2)c1 ZINC001255241862 858002768 /nfs/dbraw/zinc/00/27/68/858002768.db2.gz BOBARMYEHDVURT-UHFFFAOYSA-N -1 3 358.416 0.531 10 0 FCAEHM COCc1nc(C[N-]S(=O)(=O)c2coc(C(=O)N(C)C)c2C)n[nH]1 ZINC001261579949 858596972 /nfs/dbraw/zinc/59/69/72/858596972.db2.gz DUYMGIXBDWLLRJ-UHFFFAOYSA-N -1 3 357.392 0.033 10 0 FCAEHM CCOCc1nc([C@H](C)[N-]S(=O)(=O)C[C@@H](OC)[C@@H]2CCOC2)no1 ZINC001261580717 858597959 /nfs/dbraw/zinc/59/79/59/858597959.db2.gz YDIOXIVOEMBTKV-QJPTWQEYSA-N -1 3 363.436 0.638 10 0 FCAEHM CCOCc1nc([C@H](C)[N-]S(=O)(=O)C[C@H](OC)[C@H]2CCOC2)no1 ZINC001261580719 858597990 /nfs/dbraw/zinc/59/79/90/858597990.db2.gz YDIOXIVOEMBTKV-SRVKXCTJSA-N -1 3 363.436 0.638 10 0 FCAEHM CC12CC(C1)CN2C(=O)C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001261653042 858622143 /nfs/dbraw/zinc/62/21/43/858622143.db2.gz ZCLSIFDMZMRNHZ-RWWNRMGGSA-N -1 3 361.364 0.914 10 0 FCAEHM O=c1cc(CN2CCN(C[C@H]3CCCS3(=O)=O)CC2)nc(C2CC2)[n-]1 ZINC001262300565 858860113 /nfs/dbraw/zinc/86/01/13/858860113.db2.gz NVCQHWGEJZGFEU-OAHLLOKOSA-N -1 3 366.487 0.754 10 0 FCAEHM CO[C@@H]1COCC[C@@H]1CC(=O)N[C@H]1CCN(c2nc(C)cc(=O)[n-]2)C1 ZINC001263912736 859238736 /nfs/dbraw/zinc/23/87/36/859238736.db2.gz BBCLHYBVEGYZPV-HZSPNIEDSA-N -1 3 350.419 0.627 10 0 FCAEHM CCOCCN1CC[C@H](NC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)[C@H]1C ZINC001264150853 859329251 /nfs/dbraw/zinc/32/92/51/859329251.db2.gz OJHPCMOKCPALAI-ZBFHGGJFSA-N -1 3 352.479 0.990 10 0 FCAEHM CC(C)[C@H](CNC(=O)[C@@H]1CCO[C@H]1C1CC1)NCc1nc(=O)n(C)[n-]1 ZINC001268218390 859524907 /nfs/dbraw/zinc/52/49/07/859524907.db2.gz CGIDEWCPAYGHBT-IPYPFGDCSA-N -1 3 351.451 0.154 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)N[C@](C)(CNCc1nc(=O)n(C)[n-]1)C1CC1 ZINC001269619589 859551327 /nfs/dbraw/zinc/55/13/27/859551327.db2.gz QXMLWJWTGVOVDH-HYSWKAIVSA-N -1 3 351.451 0.298 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCC(F)(F)F)C1 ZINC001281652336 863584683 /nfs/dbraw/zinc/58/46/83/863584683.db2.gz RFCFXFPKGDLRMX-RKDXNWHRSA-N -1 3 362.308 0.135 10 0 FCAEHM CCC(CC)[C@@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001281680539 863619727 /nfs/dbraw/zinc/61/97/27/863619727.db2.gz FSADYMCJLBJKFY-LERXQTSPSA-N -1 3 350.419 0.556 10 0 FCAEHM CC(C)CCCCC(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1 ZINC001281901225 863915998 /nfs/dbraw/zinc/91/59/98/863915998.db2.gz XALLFPHXOXPFSB-KGLIPLIRSA-N -1 3 350.419 0.700 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@H](O)CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001285449258 864633254 /nfs/dbraw/zinc/63/32/54/864633254.db2.gz XHLKVPIVHUZIPU-IJLUTSLNSA-N -1 3 350.419 0.380 10 0 FCAEHM CCC[C@@H](CC)C(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@@H]1O ZINC001289718788 865244893 /nfs/dbraw/zinc/24/48/93/865244893.db2.gz SNSIFKJCHXLGHG-UPJWGTAASA-N -1 3 350.419 0.618 10 0 FCAEHM COCCCC(=O)NC[C@H]1CC[C@@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001290097873 865328836 /nfs/dbraw/zinc/32/88/36/865328836.db2.gz ATQSWWVCSZUUHB-QWHCGFSZSA-N -1 3 350.419 0.932 10 0 FCAEHM COCCC(=O)NCC[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1C ZINC001291551937 865591583 /nfs/dbraw/zinc/59/15/83/865591583.db2.gz OEKYBKGSVDGANY-DGCLKSJQSA-N -1 3 350.419 0.742 10 0 FCAEHM CCOCCO[C@@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn[n-]n1)C2 ZINC001292152290 865694600 /nfs/dbraw/zinc/69/46/00/865694600.db2.gz DKZPQYHTEGYPNH-SFTQSGBHSA-N -1 3 351.407 0.108 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC001292968378 865765631 /nfs/dbraw/zinc/76/56/31/865765631.db2.gz OEOUBGILHMSBDS-CYBMUJFWSA-N -1 3 352.416 0.179 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCCN2C(=O)CCCC2=O)ccc1F ZINC001293815101 865808479 /nfs/dbraw/zinc/80/84/79/865808479.db2.gz SLGNGXSLXLIWJU-UHFFFAOYSA-N -1 3 371.390 0.003 10 0 FCAEHM Cc1cc(=O)[n-]c(CNC(=O)c2[nH]ncc2I)n1 ZINC001300200886 866215691 /nfs/dbraw/zinc/21/56/91/866215691.db2.gz GKGPZUQDFFDURR-UHFFFAOYSA-N -1 3 359.127 0.748 10 0 FCAEHM CCS(=O)(=O)c1ccc(C(=O)NCCCc2c[n-][nH]c2=O)c(N)c1 ZINC001301570133 866270832 /nfs/dbraw/zinc/27/08/32/866270832.db2.gz AJBKVQVUPDUIIE-JTQLQIEISA-N -1 3 352.416 0.304 10 0 FCAEHM Cc1ccc(C)c(S(=O)(=O)NCC(=O)NCCCc2c[n-][nH]c2=O)c1 ZINC001301561723 866271655 /nfs/dbraw/zinc/27/16/55/866271655.db2.gz OUFAJQUHLWBDSH-CYBMUJFWSA-N -1 3 366.443 0.210 10 0 FCAEHM O=C(CN1CCCC2(CC2)S1(=O)=O)Nc1ccccc1-c1nnn[n-]1 ZINC001301887980 866298952 /nfs/dbraw/zinc/29/89/52/866298952.db2.gz MSSBBAYAVICMOH-UHFFFAOYSA-N -1 3 362.415 0.763 10 0 FCAEHM O=C(CN1CCCC2(CC2)S1(=O)=O)Nc1ccccc1-c1nn[n-]n1 ZINC001301887980 866298970 /nfs/dbraw/zinc/29/89/70/866298970.db2.gz MSSBBAYAVICMOH-UHFFFAOYSA-N -1 3 362.415 0.763 10 0 FCAEHM CCOC(=O)[C@H]([N-]S(=O)(=O)C1CN(C(=O)c2ccccc2)C1)C1CC1 ZINC001319926410 868035405 /nfs/dbraw/zinc/03/54/05/868035405.db2.gz BZPMNYZNAKXEGJ-OAHLLOKOSA-N -1 3 366.439 0.772 10 0 FCAEHM O=C1COc2cc(S(=O)(=O)[N-]C[C@H](O)C(F)(F)F)c(Cl)cc2N1 ZINC001320680305 868239848 /nfs/dbraw/zinc/23/98/48/868239848.db2.gz IGYGVIPFKBPWDV-VIFPVBQESA-N -1 3 374.724 0.872 10 0 FCAEHM O=C([O-])CCCN1CCC(NS(=O)(=O)c2cnc3n2CCC3)CC1 ZINC001321454235 868479967 /nfs/dbraw/zinc/47/99/67/868479967.db2.gz OXPSIORQXNMEPX-UHFFFAOYSA-N -1 3 356.448 0.437 10 0 FCAEHM O=C(c1nnc2ccccc2c1[O-])N1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001326673768 870442499 /nfs/dbraw/zinc/44/24/99/870442499.db2.gz ATYRTMVIYWQXID-MRXNPFEDSA-N -1 3 363.395 0.365 10 0 FCAEHM CC[C@H](NC(=O)C(=O)NCc1nc(C(F)(F)F)n[n-]1)[C@H]1CCCCO1 ZINC001327237011 870736439 /nfs/dbraw/zinc/73/64/39/870736439.db2.gz SHYUFWRINGZNLI-DTWKUNHWSA-N -1 3 363.340 0.904 10 0 FCAEHM COC1(C)CN(c2nnc(-c3nnc(Cl)[n-]3)n2C[C@@H]2CCOC2)C1 ZINC001344224351 870773404 /nfs/dbraw/zinc/77/34/04/870773404.db2.gz GFRZBFNYVULRDK-VIFPVBQESA-N -1 3 353.814 0.978 10 0 FCAEHM COC1(C)CN(c2nnc(-c3n[n-]c(Cl)n3)n2C[C@@H]2CCOC2)C1 ZINC001344224351 870773423 /nfs/dbraw/zinc/77/34/23/870773423.db2.gz GFRZBFNYVULRDK-VIFPVBQESA-N -1 3 353.814 0.978 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)CC(C)(C)O)CCN1C(=O)c1c(C)nc[n-]c1=O ZINC001344797092 871032477 /nfs/dbraw/zinc/03/24/77/871032477.db2.gz CYIOMWGQOILKFS-NWDGAFQWSA-N -1 3 350.419 0.761 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)C(C)(C)COC)CCN1C(=O)c1cnc[n-]c1=O ZINC001344871914 871074889 /nfs/dbraw/zinc/07/48/89/871074889.db2.gz FHKWMEGPTZJFSN-QWHCGFSZSA-N -1 3 350.419 0.964 10 0 FCAEHM CCn1ncc(C[N-]S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)n1 ZINC001328755386 871608402 /nfs/dbraw/zinc/60/84/02/871608402.db2.gz JUGCOZKUMTWPRY-UHFFFAOYSA-N -1 3 371.806 0.761 10 0 FCAEHM CCCOCC(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2cnc[n-]c2=O)C1 ZINC001346485536 871863645 /nfs/dbraw/zinc/86/36/45/871863645.db2.gz DVLWFWSUDYPCPY-CHWSQXEVSA-N -1 3 350.419 0.823 10 0 FCAEHM C[C@@H]1COC2(CCC2)CN1C(=O)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC001347616538 872420935 /nfs/dbraw/zinc/42/09/35/872420935.db2.gz SIUZPXASVHLTGO-MRVPVSSYSA-N -1 3 361.324 0.610 10 0 FCAEHM Cn1cc(CCS(=O)(=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)nn1 ZINC001331737116 873222021 /nfs/dbraw/zinc/22/20/21/873222021.db2.gz UQDMVJJUOUSRDV-UHFFFAOYSA-N -1 3 351.310 0.487 10 0 FCAEHM O=C([O-])CN1CCC(NS(=O)(=O)CCc2c(F)cccc2F)CC1 ZINC001331847096 873271469 /nfs/dbraw/zinc/27/14/69/873271469.db2.gz VJUZWXGSHQQBRB-UHFFFAOYSA-N -1 3 362.398 0.976 10 0 FCAEHM Cn1cc(C(=O)CCC(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)cn1 ZINC000291634788 214047084 /nfs/dbraw/zinc/04/70/84/214047084.db2.gz VCZUGQFBMDBUIG-UHFFFAOYSA-N -1 3 357.370 0.918 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C(C)C)[C@H]1CCOC1 ZINC000292233089 214087806 /nfs/dbraw/zinc/08/78/06/214087806.db2.gz UHLQLKJJXSRIBQ-LBPRGKRZSA-N -1 3 362.473 0.783 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1cc(F)c(Cl)cc1N1CCOCC1 ZINC000293644460 214189569 /nfs/dbraw/zinc/18/95/69/214189569.db2.gz KZASUILQQJFLHU-UHFFFAOYSA-N -1 3 370.768 0.806 10 0 FCAEHM CC[C@H](NC(=O)C[N-]S(=O)(=O)c1c(C)noc1C)[C@@H](O)C(F)F ZINC000295426458 214295977 /nfs/dbraw/zinc/29/59/77/214295977.db2.gz JFBCJXJMJPNAFL-WCBMZHEXSA-N -1 3 355.363 0.091 10 0 FCAEHM CCc1nnc(CNC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)[nH]1 ZINC000295362822 214293322 /nfs/dbraw/zinc/29/33/22/214293322.db2.gz OCFBVPHIJJHESQ-VIFPVBQESA-N -1 3 355.395 0.489 10 0 FCAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@@H](C)Cn1cncn1 ZINC000295691965 214313204 /nfs/dbraw/zinc/31/32/04/214313204.db2.gz LTHMBIFYSSSASD-IUCAKERBSA-N -1 3 358.342 0.470 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CC(=O)N[C@@H](C)C1 ZINC000296076264 214329677 /nfs/dbraw/zinc/32/96/77/214329677.db2.gz FVVMHAHHUAXYLW-VIFPVBQESA-N -1 3 353.400 0.519 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)CC(=O)NCC(F)(F)F)cc2n(C)c1=O ZINC000291436975 214034668 /nfs/dbraw/zinc/03/46/68/214034668.db2.gz BMWUAKFRESZSCX-UHFFFAOYSA-N -1 3 360.292 0.590 10 0 FCAEHM CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)CN1CC(=O)[N-]C1=O ZINC000265699683 210200994 /nfs/dbraw/zinc/20/09/94/210200994.db2.gz YHXSSXLSVUDHSS-LLVKDONJSA-N -1 3 356.423 0.594 10 0 FCAEHM Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CN2CC(=O)[N-]C2=O)cc1 ZINC000265669902 210192191 /nfs/dbraw/zinc/19/21/91/210192191.db2.gz QZZWHKVLLJTPNW-GFCCVEGCSA-N -1 3 362.411 0.387 10 0 FCAEHM COc1ccc2c(c1)[n-]cc(C(=O)N1CC[C@@H](NS(C)(=O)=O)C1)c2=O ZINC000265434303 210134043 /nfs/dbraw/zinc/13/40/43/210134043.db2.gz NRKUZBHWGHNXTF-SNVBAGLBSA-N -1 3 365.411 0.713 10 0 FCAEHM COc1cc(Br)c(NC(=O)CN2CC(=O)[N-]C2=O)cc1OC ZINC000265421421 210129959 /nfs/dbraw/zinc/12/99/59/210129959.db2.gz AGPQFQJUCYWKQE-UHFFFAOYSA-N -1 3 372.175 0.957 10 0 FCAEHM CNS(=O)(=O)c1ccc(C[N-]S(=O)(=O)Cc2cc(C)on2)s1 ZINC000265379878 210112726 /nfs/dbraw/zinc/11/27/26/210112726.db2.gz YGTGJTOMCJGDIJ-UHFFFAOYSA-N -1 3 365.458 0.572 10 0 FCAEHM COCc1ccc(CNC(=O)CN2CCC(c3nc(=O)[n-][nH]3)CC2)cc1 ZINC000288561666 213775832 /nfs/dbraw/zinc/77/58/32/213775832.db2.gz ACLHGBNPGMGTBI-UHFFFAOYSA-N -1 3 359.430 0.740 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000264876841 210006003 /nfs/dbraw/zinc/00/60/03/210006003.db2.gz SCJVJUJYFHOEOI-JTQLQIEISA-N -1 3 368.187 0.941 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000333070726 215230698 /nfs/dbraw/zinc/23/06/98/215230698.db2.gz OTEQIEOIIALUIF-NVXWUHKLSA-N -1 3 373.453 0.930 10 0 FCAEHM Cc1nn(C)c(C)c1[C@H]1[C@H]([N-]S(=O)(=O)[C@H]2CCO[C@@H]2C)CC(=O)N1C ZINC000333099437 215236092 /nfs/dbraw/zinc/23/60/92/215236092.db2.gz PRQOIWHZBNPTAG-NFFDBFGFSA-N -1 3 370.475 0.406 10 0 FCAEHM CCNC(=O)C[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)[N-]C)nc1 ZINC000285774841 213392674 /nfs/dbraw/zinc/39/26/74/213392674.db2.gz SLDUDUIRDRIYOT-ZDUSSCGKSA-N -1 3 368.459 0.511 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)c(C)o1 ZINC000284122566 213079174 /nfs/dbraw/zinc/07/91/74/213079174.db2.gz OULFAJANOQSCTP-QWHCGFSZSA-N -1 3 357.432 0.041 10 0 FCAEHM CN(C)C(=O)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000412592481 237229843 /nfs/dbraw/zinc/22/98/43/237229843.db2.gz ZUAWKEGZSCPVIJ-HIFRSBDPSA-N -1 3 359.426 0.934 10 0 FCAEHM COC[C@@H]([N-]S(=O)(=O)C1CN(C(=O)c2ccccc2)C1)[C@@H]1CCCO1 ZINC000366768805 216028967 /nfs/dbraw/zinc/02/89/67/216028967.db2.gz HHEHNTGBGHTLQT-CVEARBPZSA-N -1 3 368.455 0.624 10 0 FCAEHM CO[C@@H]1CC[C@H]2OCCN(C(=O)C[N-]S(=O)(=O)c3cccs3)[C@@H]2C1 ZINC000366829764 216039508 /nfs/dbraw/zinc/03/95/08/216039508.db2.gz FHDNZZBASOEFCJ-JHJVBQTASA-N -1 3 374.484 0.821 10 0 FCAEHM CC[C@@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000367046271 216068786 /nfs/dbraw/zinc/06/87/86/216068786.db2.gz VGLRHYWKKJRTHE-OWCLPIDISA-N -1 3 374.441 0.380 10 0 FCAEHM COC(=O)[C@H]([N-]S(=O)(=O)C1CN(C(=O)c2ccccc2)C1)C1CC1 ZINC000367885648 216176104 /nfs/dbraw/zinc/17/61/04/216176104.db2.gz MLHGUVMZPJOSLU-CQSZACIVSA-N -1 3 352.412 0.382 10 0 FCAEHM COc1nc(NC(=O)[C@@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)n[n-]1 ZINC000367905398 216176723 /nfs/dbraw/zinc/17/67/23/216176723.db2.gz QSJTVSNSMVTEGQ-JTQLQIEISA-N -1 3 359.342 0.576 10 0 FCAEHM COc1nnc(NC(=O)[C@@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)[n-]1 ZINC000367905398 216176727 /nfs/dbraw/zinc/17/67/27/216176727.db2.gz QSJTVSNSMVTEGQ-JTQLQIEISA-N -1 3 359.342 0.576 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)n1 ZINC000367905398 216176730 /nfs/dbraw/zinc/17/67/30/216176730.db2.gz QSJTVSNSMVTEGQ-JTQLQIEISA-N -1 3 359.342 0.576 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)N1CC2(C1)CCCOC2 ZINC000367943387 216180719 /nfs/dbraw/zinc/18/07/19/216180719.db2.gz HGBAFPYXWBXLBA-UHFFFAOYSA-N -1 3 355.394 0.897 10 0 FCAEHM CN1CC[C@H](NC(=O)CN2CC(=O)[N-]C2=O)[C@H]1c1ccc(Cl)cc1 ZINC000245853139 209376089 /nfs/dbraw/zinc/37/60/89/209376089.db2.gz JOZROGUJZWXJJP-SWLSCSKDSA-N -1 3 350.806 0.753 10 0 FCAEHM O=C(c1cnn(Cc2ccccc2)c1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000194994866 209331401 /nfs/dbraw/zinc/33/14/01/209331401.db2.gz ZMQMWFTZHYEINO-SFHVURJKSA-N -1 3 353.382 0.746 10 0 FCAEHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H]2CCN(C3CCOCC3)C2=O)s1 ZINC000368454970 216249143 /nfs/dbraw/zinc/24/91/43/216249143.db2.gz WZHDGSKATCXBGT-GFCCVEGCSA-N -1 3 359.473 0.818 10 0 FCAEHM C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])C(=O)NCCF ZINC000368525903 216257819 /nfs/dbraw/zinc/25/78/19/216257819.db2.gz GKLPPMOMKKKPJD-AAEUAGOBSA-N -1 3 351.378 0.587 10 0 FCAEHM CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1cnc([O-])n(C)c1=O ZINC000368754336 216291699 /nfs/dbraw/zinc/29/16/99/216291699.db2.gz SKFXEPWMDMHFTE-LJQANCHMSA-N -1 3 372.425 0.195 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CC[C@]2(CNC(=O)C2)C1 ZINC000278981117 212502749 /nfs/dbraw/zinc/50/27/49/212502749.db2.gz PWIQTEMXKMWSCT-AWEZNQCLSA-N -1 3 357.457 0.155 10 0 FCAEHM O=C1[N-]C(=O)[C@]2(CCCN(S(=O)(=O)c3ccc4c(c3)CCCO4)C2)N1 ZINC000278681077 212478067 /nfs/dbraw/zinc/47/80/67/212478067.db2.gz IKONSLIZOMBDSA-MRXNPFEDSA-N -1 3 365.411 0.374 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000277614686 212379542 /nfs/dbraw/zinc/37/95/42/212379542.db2.gz RDDSGQGBWHQTAB-DEYYWGMASA-N -1 3 363.389 0.614 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NC[C@@H]1CSCCN1Cc1ccccc1 ZINC000277363524 212354026 /nfs/dbraw/zinc/35/40/26/212354026.db2.gz OVHZTGMHNWKJCU-CQSZACIVSA-N -1 3 362.455 0.272 10 0 FCAEHM COC(=O)[C@H](O)C(C)(C)[N-]S(=O)(=O)c1cc(OC)c(OC)cc1F ZINC000277157625 212335498 /nfs/dbraw/zinc/33/54/98/212335498.db2.gz ZCEUQKFRDNFOMS-LBPRGKRZSA-N -1 3 365.379 0.434 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)N1CC(CO)C1 ZINC000277005864 212317763 /nfs/dbraw/zinc/31/77/63/212317763.db2.gz ZBGQLZSHRXXKBP-UHFFFAOYSA-N -1 3 353.853 0.314 10 0 FCAEHM CCN(C)C(=O)[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000276605101 212263380 /nfs/dbraw/zinc/26/33/80/212263380.db2.gz MGLOAFCRKGGIKQ-QWRGUYRKSA-N -1 3 359.423 0.476 10 0 FCAEHM COC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H](C)C(=O)OC)s1 ZINC000276495087 212242583 /nfs/dbraw/zinc/24/25/83/212242583.db2.gz OMFQCJVADOYGCZ-QMMMGPOBSA-N -1 3 350.418 0.486 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)OC)cn1 ZINC000276271774 212201061 /nfs/dbraw/zinc/20/10/61/212201061.db2.gz QHCCTVIQJMRTSX-SGMGOOAPSA-N -1 3 367.427 0.403 10 0 FCAEHM COC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H](C)C[S@](C)=O)s1 ZINC000276239840 212194568 /nfs/dbraw/zinc/19/45/68/212194568.db2.gz PHMKXVLCQCFMSH-FPVGNUTFSA-N -1 3 368.502 0.692 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000371384351 216721836 /nfs/dbraw/zinc/72/18/36/216721836.db2.gz KHICHEPEQIEEAU-NWDGAFQWSA-N -1 3 369.324 0.786 10 0 FCAEHM C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000276068395 212151685 /nfs/dbraw/zinc/15/16/85/212151685.db2.gz QRJQBKZIQHRWBH-WFASDCNBSA-N -1 3 354.428 0.657 10 0 FCAEHM COC(=O)c1sc2[n-]c(CN3CCN(C)[C@@H](CO)C3)nc(=O)c2c1C ZINC000931408005 674113067 /nfs/dbraw/zinc/11/30/67/674113067.db2.gz XQBVEWQKUOJLCU-SNVBAGLBSA-N -1 3 366.443 0.188 10 0 FCAEHM CCO[C@H]1C[C@]([N-]S(=O)(=O)c2cn(C)c(C)n2)(C(=O)OC)C1(C)C ZINC000275913343 212118027 /nfs/dbraw/zinc/11/80/27/212118027.db2.gz FBDRXIONAIZURM-NHYWBVRUSA-N -1 3 359.448 0.754 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)Nc2cccc3c2OCC[C@@H]3O)c1 ZINC000373364356 217011667 /nfs/dbraw/zinc/01/16/67/217011667.db2.gz UEUXZZQWOPWWPC-LBPRGKRZSA-N -1 3 366.399 0.153 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCOc2c(Br)cccc2C1 ZINC000373420767 217017464 /nfs/dbraw/zinc/01/74/64/217017464.db2.gz ZMKQUFKTUWQYLD-JTQLQIEISA-N -1 3 368.187 0.768 10 0 FCAEHM CC(C)C[C@H](CO)N(C)C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000184546330 209163411 /nfs/dbraw/zinc/16/34/11/209163411.db2.gz ZJDMHGUUPKOQHM-SECBINFHSA-N -1 3 362.224 0.165 10 0 FCAEHM Cc1nc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2O)[n-]c1-c1ccccc1 ZINC000275320271 212007751 /nfs/dbraw/zinc/00/77/51/212007751.db2.gz XNHKZYRJMOTEGO-RYUDHWBXSA-N -1 3 356.425 0.317 10 0 FCAEHM Cc1[n-]c(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2O)nc1-c1ccccc1 ZINC000275320271 212007753 /nfs/dbraw/zinc/00/77/53/212007753.db2.gz XNHKZYRJMOTEGO-RYUDHWBXSA-N -1 3 356.425 0.317 10 0 FCAEHM Cc1c([O-])ccc2c(CN3CCC[C@@]4(C3)NC(=O)NC4=O)cc(=O)oc12 ZINC000373844328 217067355 /nfs/dbraw/zinc/06/73/55/217067355.db2.gz JBKMQAYLUKETQG-SFHVURJKSA-N -1 3 357.366 0.981 10 0 FCAEHM O=C(CC[C@H]1NC(=O)[N-]C1=O)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000373950116 217078691 /nfs/dbraw/zinc/07/86/91/217078691.db2.gz DEVVVEXEWQFMNZ-NWDGAFQWSA-N -1 3 356.386 0.424 10 0 FCAEHM C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)CC1=O ZINC000374122370 217098831 /nfs/dbraw/zinc/09/88/31/217098831.db2.gz TZQAWCFOCPYLBE-TYNCELHUSA-N -1 3 370.409 0.618 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCO[C@@H](C2CC2)C1 ZINC000374205980 217108292 /nfs/dbraw/zinc/10/82/92/217108292.db2.gz RZTMUFXXYBGLBS-GFCCVEGCSA-N -1 3 360.457 0.394 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)nc1Cl ZINC000374736245 217164201 /nfs/dbraw/zinc/16/42/01/217164201.db2.gz MKUOMLVTXBSTIC-CMPLNLGQSA-N -1 3 363.867 0.920 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)N1CC(n2ccnn2)C1 ZINC000374802258 217174964 /nfs/dbraw/zinc/17/49/64/217174964.db2.gz VFMGXNLMXFZSJT-UHFFFAOYSA-N -1 3 353.379 0.169 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCOC[C@H]1Cc1c[nH]c2ccccc12 ZINC000375994196 217342725 /nfs/dbraw/zinc/34/27/25/217342725.db2.gz KVEZSKQCKWFPMA-CYBMUJFWSA-N -1 3 356.382 0.490 10 0 FCAEHM Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC000424365110 247199058 /nfs/dbraw/zinc/19/90/58/247199058.db2.gz GIUWFHUZOMQFNZ-BXUZGUMPSA-N -1 3 372.491 0.935 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N[C@H]2C[C@@]2(F)c2ccccc2)c1 ZINC000424991213 247283926 /nfs/dbraw/zinc/28/39/26/247283926.db2.gz GCIJWGWRPHZUDK-SWLSCSKDSA-N -1 3 352.391 0.452 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CC(CC(F)F)C1 ZINC000425081568 247290377 /nfs/dbraw/zinc/29/03/77/247290377.db2.gz CKVCNXNNRQXQJL-UHFFFAOYSA-N -1 3 352.135 0.825 10 0 FCAEHM COC(=O)C1(C)CN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000425129480 247295956 /nfs/dbraw/zinc/29/59/56/247295956.db2.gz GYNQIZGZJNYOHI-JTQLQIEISA-N -1 3 358.391 0.514 10 0 FCAEHM CN1C(=O)CC[C@@H]([N-]S(=O)(=O)c2cccnc2C(F)(F)F)C1=O ZINC000425231686 247310562 /nfs/dbraw/zinc/31/05/62/247310562.db2.gz WDZMJIQJTFPINR-SSDOTTSWSA-N -1 3 351.306 0.526 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)N[C@@H]1CC[C@H]1O ZINC000425760377 247378019 /nfs/dbraw/zinc/37/80/19/247378019.db2.gz WKOBBOAKBMRDKH-GHMZBOCLSA-N -1 3 365.814 0.580 10 0 FCAEHM COCCCS(=O)(=O)[N-]CC(=O)Nc1ccccc1N(C)C(C)=O ZINC000431924857 247790345 /nfs/dbraw/zinc/79/03/45/247790345.db2.gz LSGOGROVUZKZKS-UHFFFAOYSA-N -1 3 357.432 0.564 10 0 FCAEHM CS(=O)(=O)N1CC[C@H](CN2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC000436670613 248045991 /nfs/dbraw/zinc/04/59/91/248045991.db2.gz GEEICHZXHDATLM-CQSZACIVSA-N -1 3 367.471 0.432 10 0 FCAEHM COc1cc(NC(=O)CC[N-]S(=O)(=O)c2cn(C)c(C)n2)ccc1O ZINC000438134184 248077601 /nfs/dbraw/zinc/07/76/01/248077601.db2.gz FVMAADMBLZKJEL-UHFFFAOYSA-N -1 3 368.415 0.750 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(C)[C@H]1CCNC1=O ZINC000442258218 248280455 /nfs/dbraw/zinc/28/04/55/248280455.db2.gz WAWRBYYCWMXBEK-VIFPVBQESA-N -1 3 353.400 0.519 10 0 FCAEHM NC(=O)[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2cnccc2C(F)(F)F)O1 ZINC000442735693 248294978 /nfs/dbraw/zinc/29/49/78/248294978.db2.gz ZHMUZDLCCOSMFB-CBAPKCEASA-N -1 3 353.322 0.412 10 0 FCAEHM CCc1nc(C(C)(C)[N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)no1 ZINC000443158529 248309304 /nfs/dbraw/zinc/30/93/04/248309304.db2.gz VWFHNWWOVOLQMS-UHFFFAOYSA-N -1 3 363.403 0.821 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)NCCCNC(=O)c2cccc([O-])c2)C[C@H](C)O1 ZINC000443209253 248311755 /nfs/dbraw/zinc/31/17/55/248311755.db2.gz DYWFRZYLWBQOHM-BETUJISGSA-N -1 3 371.459 0.456 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@@H](O)Cc1ccccc1 ZINC000443230708 248312522 /nfs/dbraw/zinc/31/25/22/248312522.db2.gz YWQFPPZUQIOGHV-AWEZNQCLSA-N -1 3 369.464 0.972 10 0 FCAEHM COC(=O)c1nscc1S(=O)(=O)[N-]C[C@H](CO)c1ccccc1 ZINC000443348559 248322265 /nfs/dbraw/zinc/32/22/65/248322265.db2.gz BNALIVCVFCWPIL-LLVKDONJSA-N -1 3 356.425 0.984 10 0 FCAEHM NC(=O)c1cncc(NCC[N-]S(=O)(=O)c2ccc(Cl)s2)n1 ZINC000443892488 248343133 /nfs/dbraw/zinc/34/31/33/248343133.db2.gz WJCDTERTIIVUIW-UHFFFAOYSA-N -1 3 361.836 0.681 10 0 FCAEHM CCOC(=O)[C@@H]1CN(C(=O)CNC(=O)c2cccc([O-])c2)CC12COC2 ZINC000452267429 249306012 /nfs/dbraw/zinc/30/60/12/249306012.db2.gz VHZMVDPLRNUXDK-AWEZNQCLSA-N -1 3 362.382 0.160 10 0 FCAEHM CCOC(=O)COCCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000452694041 249327787 /nfs/dbraw/zinc/32/77/87/249327787.db2.gz DXAOEZSGBXXSLF-AWEZNQCLSA-N -1 3 364.398 0.693 10 0 FCAEHM CC1(CO)CN(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000458717577 249683688 /nfs/dbraw/zinc/68/36/88/249683688.db2.gz BUQUCMCPNMSPBU-UHFFFAOYSA-N -1 3 363.386 0.267 10 0 FCAEHM COc1nnc(NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)[n-]1 ZINC000271301152 211374779 /nfs/dbraw/zinc/37/47/79/211374779.db2.gz SIIRPPTVGLOSDF-INIZCTEOSA-N -1 3 356.342 0.145 10 0 FCAEHM COc1nc(NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)n[n-]1 ZINC000271301152 211374780 /nfs/dbraw/zinc/37/47/80/211374780.db2.gz SIIRPPTVGLOSDF-INIZCTEOSA-N -1 3 356.342 0.145 10 0 FCAEHM COc1n[n-]c(NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)n1 ZINC000271301152 211374784 /nfs/dbraw/zinc/37/47/84/211374784.db2.gz SIIRPPTVGLOSDF-INIZCTEOSA-N -1 3 356.342 0.145 10 0 FCAEHM COc1n[n-]c(NC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)n1 ZINC000271270268 211367103 /nfs/dbraw/zinc/36/71/03/211367103.db2.gz LSRPRNRTHLUQNU-JTQLQIEISA-N -1 3 371.353 0.841 10 0 FCAEHM COc1nnc(NC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)[n-]1 ZINC000271270268 211367096 /nfs/dbraw/zinc/36/70/96/211367096.db2.gz LSRPRNRTHLUQNU-JTQLQIEISA-N -1 3 371.353 0.841 10 0 FCAEHM COc1nc(NC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)n[n-]1 ZINC000271270268 211367098 /nfs/dbraw/zinc/36/70/98/211367098.db2.gz LSRPRNRTHLUQNU-JTQLQIEISA-N -1 3 371.353 0.841 10 0 FCAEHM CN1CC[C@@H](NC(=O)c2[nH]c(=O)[n-]c(=O)c2N)[C@H]1c1ccc(F)c(F)c1 ZINC000271207017 211356956 /nfs/dbraw/zinc/35/69/56/211356956.db2.gz XWSWDMXYRVQKPU-ZWNOBZJWSA-N -1 3 365.340 0.923 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000271103890 211335085 /nfs/dbraw/zinc/33/50/85/211335085.db2.gz KRCOHJXJWFRWEI-CPCISQLKSA-N -1 3 368.752 0.299 10 0 FCAEHM CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1nnc(SCCO)[n-]1 ZINC000270933169 211301132 /nfs/dbraw/zinc/30/11/32/211301132.db2.gz YMPUPQDTNFJZIJ-BDAKNGLRSA-N -1 3 359.477 0.775 10 0 FCAEHM CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1nc(SCCO)n[n-]1 ZINC000270933169 211301135 /nfs/dbraw/zinc/30/11/35/211301135.db2.gz YMPUPQDTNFJZIJ-BDAKNGLRSA-N -1 3 359.477 0.775 10 0 FCAEHM CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1n[n-]c(SCCO)n1 ZINC000270933169 211301137 /nfs/dbraw/zinc/30/11/37/211301137.db2.gz YMPUPQDTNFJZIJ-BDAKNGLRSA-N -1 3 359.477 0.775 10 0 FCAEHM Cc1ccc2oc(N3CCN(C(=O)C[C@@H]4NC(=O)[N-]C4=O)CC3)nc2c1 ZINC000270747724 211260708 /nfs/dbraw/zinc/26/07/08/211260708.db2.gz SJRDUMQMBOGFSQ-LBPRGKRZSA-N -1 3 357.370 0.383 10 0 FCAEHM CN(CCOc1ccc(Br)cc1)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000270627765 211238408 /nfs/dbraw/zinc/23/84/08/211238408.db2.gz UHHBFZKSXLORQD-NSHDSACASA-N -1 3 370.203 0.884 10 0 FCAEHM O=C(CNC(=O)c1ccsc1)NCC[N-]S(=O)(=O)c1cccs1 ZINC000470394197 250041955 /nfs/dbraw/zinc/04/19/55/250041955.db2.gz PTNBBUJHKXQPQV-UHFFFAOYSA-N -1 3 373.481 0.634 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@]2(C(=O)OC)CCSC2)s1 ZINC000270299216 211181803 /nfs/dbraw/zinc/18/18/03/211181803.db2.gz YMCCTLLOHHGREU-GFCCVEGCSA-N -1 3 365.454 0.862 10 0 FCAEHM Cc1cc(CNC(=O)NCc2ncccc2[O-])ccc1S(N)(=O)=O ZINC000472244735 250141309 /nfs/dbraw/zinc/14/13/09/250141309.db2.gz TZKAKLYRFSCZIJ-UHFFFAOYSA-N -1 3 350.400 0.742 10 0 FCAEHM C[C@@H](CO)[C@H](C)NC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000269878724 211107114 /nfs/dbraw/zinc/10/71/14/211107114.db2.gz JYLRZQBQJDXWSK-IUCAKERBSA-N -1 3 369.896 0.996 10 0 FCAEHM C[C@@H](O)CCNC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000269874209 211105026 /nfs/dbraw/zinc/10/50/26/211105026.db2.gz IOKQFERMPOSVCB-MRVPVSSYSA-N -1 3 355.869 0.750 10 0 FCAEHM COC(=O)COc1ccc(NC(=O)C(=O)NCc2ncccc2[O-])c(C)c1 ZINC000473041199 250195251 /nfs/dbraw/zinc/19/52/51/250195251.db2.gz JVIZEXYOVBMADH-UHFFFAOYSA-N -1 3 373.365 0.902 10 0 FCAEHM O=C(NCc1ncccc1[O-])C1CCN(c2ccc3nncn3n2)CC1 ZINC000473636172 250242287 /nfs/dbraw/zinc/24/22/87/250242287.db2.gz FFYWRIVKXQIWRQ-UHFFFAOYSA-N -1 3 353.386 0.758 10 0 FCAEHM O=C(CNC(=O)c1cnc2ccccc2c1O)NCc1ncccc1[O-] ZINC000473639179 250243384 /nfs/dbraw/zinc/24/33/84/250243384.db2.gz OEUCASCPHXAKKQ-UHFFFAOYSA-N -1 3 352.350 0.675 10 0 FCAEHM COc1cc(C(=O)NCc2ncccc2[O-])cc(OC)c1OCC(N)=O ZINC000473638845 250243440 /nfs/dbraw/zinc/24/34/40/250243440.db2.gz NQPVZIRQMWJVPC-UHFFFAOYSA-N -1 3 361.354 0.599 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[nH]c1=O)NCc1ncccc1[O-] ZINC000473639311 250244128 /nfs/dbraw/zinc/24/41/28/250244128.db2.gz OPMPKQNEENNAIB-UHFFFAOYSA-N -1 3 355.148 0.128 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]Cc2ccc(N3CCOCC3)nc2)c1 ZINC000474046188 250265558 /nfs/dbraw/zinc/26/55/58/250265558.db2.gz SFTHAXXDUWZHSP-UHFFFAOYSA-N -1 3 351.432 0.613 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]CCNC(=O)c2ccc(OC)cc2)c1 ZINC000474061690 250267528 /nfs/dbraw/zinc/26/75/28/250267528.db2.gz DAANYPTTYILDIA-UHFFFAOYSA-N -1 3 352.416 0.620 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]CCOc2ccc(S(C)(=O)=O)cc2)c1 ZINC000474100522 250270595 /nfs/dbraw/zinc/27/05/95/250270595.db2.gz YBCMOCVCBXPJHS-UHFFFAOYSA-N -1 3 373.456 0.664 10 0 FCAEHM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NCc1ncccc1[O-] ZINC000480729614 250279991 /nfs/dbraw/zinc/27/99/91/250279991.db2.gz NXISGPUNBZPIQX-UHFFFAOYSA-N -1 3 371.440 0.516 10 0 FCAEHM COC(=O)CC[C@@H]([N-]S(=O)(=O)Cc1cccc(OC)c1)C(=O)OC ZINC000480754666 250282013 /nfs/dbraw/zinc/28/20/13/250282013.db2.gz DSDAJOMRCSWEIL-CYBMUJFWSA-N -1 3 359.400 0.609 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccnc2OCCOC)cn1 ZINC000473929172 250257395 /nfs/dbraw/zinc/25/73/95/250257395.db2.gz CFVQDIPXWVNBGO-UHFFFAOYSA-N -1 3 366.399 0.662 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)NCCCc2nnc3ccccn32)cn1 ZINC000473950920 250260227 /nfs/dbraw/zinc/26/02/27/250260227.db2.gz MXHSPLNGOTZPGF-UHFFFAOYSA-N -1 3 374.426 0.395 10 0 FCAEHM COC(=O)[C@H](O)C(C)(C)[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000480856676 250288719 /nfs/dbraw/zinc/28/87/19/250288719.db2.gz VRJXCXKDIHVVPA-ZDUSSCGKSA-N -1 3 374.390 0.301 10 0 FCAEHM COC[C@@](C)(CCO)NC(=O)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1 ZINC000480929674 250295730 /nfs/dbraw/zinc/29/57/30/250295730.db2.gz NTZZTKWWDFRGSK-CXAGYDPISA-N -1 3 364.402 0.346 10 0 FCAEHM Cn1ccc([C@H]([N-]S(=O)(=O)c2cnnn2C)c2ccc(F)cc2)n1 ZINC000480938083 250298136 /nfs/dbraw/zinc/29/81/36/250298136.db2.gz XCYFVQJDLNRDBW-CQSZACIVSA-N -1 3 350.379 0.756 10 0 FCAEHM COc1ccc(S(=O)(=O)[N-][C@H]2CCN(C3CCOCC3)C2=O)c(F)c1 ZINC000481025663 250308573 /nfs/dbraw/zinc/30/85/73/250308573.db2.gz QZBXPCLMMPGCDS-AWEZNQCLSA-N -1 3 372.418 0.893 10 0 FCAEHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]CC[C@@H](C)[S@](C)=O)s1 ZINC000481075301 250313375 /nfs/dbraw/zinc/31/33/75/250313375.db2.gz FZGZJHYHIATFFT-ZEDNOMKYSA-N -1 3 369.486 0.979 10 0 FCAEHM C[C@H](CC[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)[S@](C)=O ZINC000481076362 250313454 /nfs/dbraw/zinc/31/34/54/250313454.db2.gz SPMMVVUUVGWEFX-YBYGRFCBSA-N -1 3 371.477 0.665 10 0 FCAEHM C[C@@H](CC[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)[S@](C)=O ZINC000481084092 250313911 /nfs/dbraw/zinc/31/39/11/250313911.db2.gz TVNKLSXOTXFFJS-OVWNDWIMSA-N -1 3 353.487 0.526 10 0 FCAEHM COC[C@@H](O)C[N-]S(=O)(=O)c1cc(OC)ccc1Br ZINC000269764924 211069350 /nfs/dbraw/zinc/06/93/50/211069350.db2.gz FAMUAUGCPXYYOG-QMMMGPOBSA-N -1 3 354.222 0.743 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@H](CO)[C@H]1CCOC1 ZINC000481611088 250345636 /nfs/dbraw/zinc/34/56/36/250345636.db2.gz RLRZRROXFYJXIW-NWDGAFQWSA-N -1 3 363.457 0.013 10 0 FCAEHM CCNC(=O)C(C)(C)CNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000269568187 211012072 /nfs/dbraw/zinc/01/20/72/211012072.db2.gz SSSVDYLORPCXNV-NSHDSACASA-N -1 3 373.450 0.771 10 0 FCAEHM Cc1ccc(OCCN(C)C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)cc1 ZINC000268028476 210691132 /nfs/dbraw/zinc/69/11/32/210691132.db2.gz LNBGRWUVWOAXBK-UHFFFAOYSA-N -1 3 366.443 0.544 10 0 FCAEHM C[C@H](CN1CCN(C)CC1)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000106921885 208235277 /nfs/dbraw/zinc/23/52/77/208235277.db2.gz BDKBOLLJXMYXOT-WBVHZDCISA-N -1 3 374.485 0.749 10 0 FCAEHM CCc1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1c(C)nn(C)c1Cl)CC2 ZINC000114874374 208318285 /nfs/dbraw/zinc/31/82/85/208318285.db2.gz KRWGMSVPRCRVSA-SECBINFHSA-N -1 3 358.855 0.829 10 0 FCAEHM Cc1nc2n(n1)CCC[C@@H]2NC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000176279905 209000927 /nfs/dbraw/zinc/00/09/27/209000927.db2.gz UDAOVHBCOKLUCU-NSHDSACASA-N -1 3 369.472 0.968 10 0 FCAEHM Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000176546501 209006879 /nfs/dbraw/zinc/00/68/79/209006879.db2.gz UROFMULPSZQGBQ-MWLCHTKSSA-N -1 3 369.472 0.966 10 0 FCAEHM Cc1nc2n(n1)CCC[C@@H]2NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000177707877 209034802 /nfs/dbraw/zinc/03/48/02/209034802.db2.gz CRAJPDKACAVNOT-AWEZNQCLSA-N -1 3 368.397 0.631 10 0 FCAEHM CS(=O)(=O)NC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccccc1F ZINC000409813018 533408345 /nfs/dbraw/zinc/40/83/45/533408345.db2.gz RMBWJOLXEQSQOF-ZYHUDNBSSA-N -1 3 350.437 0.822 10 0 FCAEHM C[C@@]1(c2ccc(CNC(=O)[C@@]3(C)CCC(=O)NC3)cc2)NC(=O)[N-]C1=O ZINC000409633890 230035122 /nfs/dbraw/zinc/03/51/22/230035122.db2.gz ZOFMGFZWVVUEHP-ROUUACIJSA-N -1 3 358.398 0.274 10 0 FCAEHM CCn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2CNS(C)(=O)=O)nc1C ZINC000409810335 230045891 /nfs/dbraw/zinc/04/58/91/230045891.db2.gz HTOPULGFNPXFEJ-NWDGAFQWSA-N -1 3 364.493 0.208 10 0 FCAEHM CN(C)CCN1CCN(S(=O)(=O)c2cccc(Cl)c2[O-])CC1=O ZINC000632508499 450583776 /nfs/dbraw/zinc/58/37/76/450583776.db2.gz FZWODXRDFOATSG-UHFFFAOYSA-N -1 3 361.851 0.440 10 0 FCAEHM C[C@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000632499683 450584071 /nfs/dbraw/zinc/58/40/71/450584071.db2.gz MIPCZFDCEVHWMH-JTQLQIEISA-N -1 3 361.851 0.786 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)Nc1ccn(C2CCOCC2)n1 ZINC000618904597 484420365 /nfs/dbraw/zinc/42/03/65/484420365.db2.gz LYUOMPHIUOCDRF-UHFFFAOYSA-N -1 3 360.436 0.129 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@H]1CN2CCC[C@H]2CO1 ZINC000363693315 488874791 /nfs/dbraw/zinc/87/47/91/488874791.db2.gz PJEAAKPUVVCCPF-STQMWFEESA-N -1 3 374.484 0.232 10 0 FCAEHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](CO)C[C@@H](O)C(C)(C)C)s1 ZINC000287484468 488873900 /nfs/dbraw/zinc/87/39/00/488873900.db2.gz SWNCVHFRCKYDSE-VHSXEESVSA-N -1 3 365.477 0.538 10 0 FCAEHM Cn1ncc2c1nc(NCC[N-]S(=O)(=O)c1cccs1)nc2N ZINC000278529244 488879846 /nfs/dbraw/zinc/87/98/46/488879846.db2.gz ZYYOTPBILISTEE-UHFFFAOYSA-N -1 3 353.433 0.397 10 0 FCAEHM CCOC(=O)c1cc(S(=O)(=O)[N-][C@H](CF)C(=O)OC)ccc1F ZINC000287617353 488887858 /nfs/dbraw/zinc/88/78/58/488887858.db2.gz ZWNWAGDDAFDPCX-LLVKDONJSA-N -1 3 351.327 0.792 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)Nc2cccc3c2OCCC3)c1 ZINC000363863774 488893833 /nfs/dbraw/zinc/89/38/33/488893833.db2.gz VREFJOLZUPBLNW-UHFFFAOYSA-N -1 3 350.400 0.662 10 0 FCAEHM O=C1[N-]C(=O)[C@@]2(CCCN(S(=O)(=O)c3cnc4ccsc4c3)C2)N1 ZINC000278855169 488900555 /nfs/dbraw/zinc/90/05/55/488900555.db2.gz XFLAWVVMACFWDW-AWEZNQCLSA-N -1 3 366.424 0.659 10 0 FCAEHM CCc1ccc(CN(C)C(=O)CN2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000279046034 488912822 /nfs/dbraw/zinc/91/28/22/488912822.db2.gz JYIZUDZNQYEXHF-IBGZPJMESA-N -1 3 358.442 0.881 10 0 FCAEHM CC(=O)c1ccccc1NC(=O)[C@H](C)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279120752 488918813 /nfs/dbraw/zinc/91/88/13/488918813.db2.gz USSGUDMFMQCGCV-BBATYDOGSA-N -1 3 358.398 0.890 10 0 FCAEHM COC(=O)c1ccccc1NC(=O)CN1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279103262 488917369 /nfs/dbraw/zinc/91/73/69/488917369.db2.gz RFMGXYMWYKOWGJ-KRWDZBQOSA-N -1 3 360.370 0.086 10 0 FCAEHM O=C(CN1CCOCC1=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000279104430 488917668 /nfs/dbraw/zinc/91/76/68/488917668.db2.gz JQBRGXYFWCKQCR-UHFFFAOYSA-N -1 3 361.398 0.428 10 0 FCAEHM CCn1nccc1N1CCC[C@H]([N-]S(=O)(=O)CC[C@H]2CCCO2)C1=O ZINC000328610184 488923152 /nfs/dbraw/zinc/92/31/52/488923152.db2.gz GVSROTWDRFEOPA-KGLIPLIRSA-N -1 3 370.475 0.887 10 0 FCAEHM CC(=O)c1ccccc1NC(=O)[C@H](C)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279120756 488918833 /nfs/dbraw/zinc/91/88/33/488918833.db2.gz USSGUDMFMQCGCV-VOJFVSQTSA-N -1 3 358.398 0.890 10 0 FCAEHM COCCCN(CCO)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000364120297 488925078 /nfs/dbraw/zinc/92/50/78/488925078.db2.gz MWXWSIOVEPWTED-HNNXBMFYSA-N -1 3 350.415 0.854 10 0 FCAEHM CN(Cc1cc(=O)[n-]c(N)n1)[C@@H]1CCN(C(=O)CCCn2cccc2)C1 ZINC000328648445 488926538 /nfs/dbraw/zinc/92/65/38/488926538.db2.gz UOFGHGLVHKPFED-OAHLLOKOSA-N -1 3 358.446 1.079 10 0 FCAEHM CN(Cc1cc(=O)[n-]c(N)n1)[C@@H]1CCN(C(=O)[C@@H]2COc3ccccc32)C1 ZINC000328648416 488926569 /nfs/dbraw/zinc/92/65/69/488926569.db2.gz UMQCNQGYTHNYHS-UKRRQHHQSA-N -1 3 369.425 0.973 10 0 FCAEHM CCn1c2ccccc2n(CC(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1=O ZINC000364181406 488931339 /nfs/dbraw/zinc/93/13/39/488931339.db2.gz QAVGOFPMNQIMHK-GOSISDBHSA-N -1 3 371.397 0.024 10 0 FCAEHM COC[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F)[C@H]1CCCO1 ZINC000279346792 488934464 /nfs/dbraw/zinc/93/44/64/488934464.db2.gz FFMIESYFJWPVOJ-IACUBPJLSA-N -1 3 374.434 0.803 10 0 FCAEHM COC[C@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F)[C@H]1CCCO1 ZINC000279346787 488934580 /nfs/dbraw/zinc/93/45/80/488934580.db2.gz FFMIESYFJWPVOJ-FPMFFAJLSA-N -1 3 374.434 0.803 10 0 FCAEHM COc1ccc(-c2n[nH]cc2C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000279359389 488935610 /nfs/dbraw/zinc/93/56/10/488935610.db2.gz CYBZUTBYLKRNDG-SFHVURJKSA-N -1 3 369.381 0.900 10 0 FCAEHM O=C(C1=NN(c2ccccc2)C(=O)CC1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279399185 488939095 /nfs/dbraw/zinc/93/90/95/488939095.db2.gz GSGASEVGJSYTEB-GOSISDBHSA-N -1 3 369.381 0.370 10 0 FCAEHM CC(C)N1C(=O)C[C@@H]([N-]S(=O)(=O)c2cccnc2C(F)(F)F)C1=O ZINC000288077127 488940654 /nfs/dbraw/zinc/94/06/54/488940654.db2.gz JQPANCDXTVHNKZ-MRVPVSSYSA-N -1 3 365.333 0.915 10 0 FCAEHM C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279443446 488942534 /nfs/dbraw/zinc/94/25/34/488942534.db2.gz KARDAXRBKVJREJ-KPZWWZAWSA-N -1 3 374.397 0.502 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC[C@]1(O)CCO[C@H]1C ZINC000279459432 488944045 /nfs/dbraw/zinc/94/40/45/488944045.db2.gz KYVPROCZCFMJEP-ZIBATOQPSA-N -1 3 360.407 0.149 10 0 FCAEHM O=C([C@@H]1CC(=O)Nc2cc(F)ccc21)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279463102 488944170 /nfs/dbraw/zinc/94/41/70/488944170.db2.gz LGNPDBBFBGMBOF-DIFFPNOSSA-N -1 3 360.345 0.452 10 0 FCAEHM CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279486899 488946547 /nfs/dbraw/zinc/94/65/47/488946547.db2.gz MYYPAHKWHMXJGH-SJKOYZFVSA-N -1 3 362.386 0.235 10 0 FCAEHM C[C@@]1(C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)Cc2ccccc2C(=O)O1 ZINC000279513439 488948692 /nfs/dbraw/zinc/94/86/92/488948692.db2.gz OXDSPVFKNOQPIZ-ZWKOTPCHSA-N -1 3 357.366 0.359 10 0 FCAEHM O=C([C@@H]1CC(c2cccc(F)c2)=NO1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279519862 488949608 /nfs/dbraw/zinc/94/96/08/488949608.db2.gz PIDVUQYPCLPFPA-GUYCJALGSA-N -1 3 360.345 0.519 10 0 FCAEHM CCOC(=O)C(C)(C)[N-]S(=O)(=O)C1CN(C(=O)c2ccccc2)C1 ZINC000364365777 488951885 /nfs/dbraw/zinc/95/18/85/488951885.db2.gz YCCMKCHEPJQRER-UHFFFAOYSA-N -1 3 354.428 0.772 10 0 FCAEHM Cc1cc(CS(=O)(=O)[N-][C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)on1 ZINC000328944319 488954220 /nfs/dbraw/zinc/95/42/20/488954220.db2.gz JDWLRMVSGMJPQG-BXUZGUMPSA-N -1 3 353.404 0.108 10 0 FCAEHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CC[C@H](NC(N)=O)C1 ZINC000288231769 488958956 /nfs/dbraw/zinc/95/89/56/488958956.db2.gz VKNAGSGNMCEYSM-QMMMGPOBSA-N -1 3 354.388 0.051 10 0 FCAEHM CC(C)(C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O)c1ccc2c(c1)OCCO2 ZINC000279645543 488958964 /nfs/dbraw/zinc/95/89/64/488958964.db2.gz ZKRLDJCXBCVBDG-LJQANCHMSA-N -1 3 373.409 0.936 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1ccc(C(=O)Nc2cccnc2)cc1 ZINC000024906920 487653883 /nfs/dbraw/zinc/65/38/83/487653883.db2.gz KZHLELNZMJUUNN-ZDUSSCGKSA-N -1 3 353.338 0.871 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(C(=O)Nc3ccc(N4CCCC4)nc3)cnc21 ZINC000043482830 487898898 /nfs/dbraw/zinc/89/88/98/487898898.db2.gz JCFAGEFTPGIGGX-UHFFFAOYSA-N -1 3 366.381 0.869 10 0 FCAEHM CS(=O)(=O)NCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000052393983 488166194 /nfs/dbraw/zinc/16/61/94/488166194.db2.gz HOPVXIKHQVSVRO-ZDUSSCGKSA-N -1 3 369.443 0.052 10 0 FCAEHM O=C(CN1CCOCC1=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000279799512 488969215 /nfs/dbraw/zinc/96/92/15/488969215.db2.gz JMNOYSBUOFRVPL-UHFFFAOYSA-N -1 3 371.390 0.064 10 0 FCAEHM CCOC(=O)C(C)(C)NC(=O)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000066773457 488336776 /nfs/dbraw/zinc/33/67/76/488336776.db2.gz OFNIWYFMIVXCKM-UHFFFAOYSA-N -1 3 359.382 0.716 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)CNC(=O)c2ccsc2)s1 ZINC000065628134 488319611 /nfs/dbraw/zinc/31/96/11/488319611.db2.gz AQZCUEJJLNEBMX-UHFFFAOYSA-N -1 3 373.481 0.764 10 0 FCAEHM C[C@H]1CC[C@H](C(N)=O)CN1C(=O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000068100360 488360808 /nfs/dbraw/zinc/36/08/08/488360808.db2.gz RTGCSLQMOYSLGM-RYUDHWBXSA-N -1 3 371.434 0.607 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCCOC[C@@H]1CCOC1 ZINC000068535012 488367136 /nfs/dbraw/zinc/36/71/36/488367136.db2.gz QKFHXXANMRPXQZ-LLVKDONJSA-N -1 3 360.414 0.922 10 0 FCAEHM COC(=O)CCCCNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000068958821 488370157 /nfs/dbraw/zinc/37/01/57/488370157.db2.gz MVXVCCPFZXHARR-NSHDSACASA-N -1 3 360.407 0.952 10 0 FCAEHM CCc1cnc(CCNC(=O)c2ccc(S(=O)(=O)[N-]C)nc2)s1 ZINC000184940818 488399197 /nfs/dbraw/zinc/39/91/97/488399197.db2.gz ZOKJESPQDOVZLI-UHFFFAOYSA-N -1 3 354.457 0.981 10 0 FCAEHM CCc1n[n-]c(S(=O)(=O)CC(=O)N2CCC[C@H](C(F)(F)F)C2)n1 ZINC000195053518 488435086 /nfs/dbraw/zinc/43/50/86/488435086.db2.gz LPTNSFTUALVWNP-QMMMGPOBSA-N -1 3 354.354 0.942 10 0 FCAEHM CCc1nnc(S(=O)(=O)CC(=O)N2CCC[C@H](C(F)(F)F)C2)[n-]1 ZINC000195053518 488435087 /nfs/dbraw/zinc/43/50/87/488435087.db2.gz LPTNSFTUALVWNP-QMMMGPOBSA-N -1 3 354.354 0.942 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]Cc2cccnc2N2CCOCC2)c1 ZINC000080718335 488436800 /nfs/dbraw/zinc/43/68/00/488436800.db2.gz SQYLRPFDXXPNQI-UHFFFAOYSA-N -1 3 351.432 0.613 10 0 FCAEHM CC(=O)N1CCO[C@H](C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)C1 ZINC000935795554 674329504 /nfs/dbraw/zinc/32/95/04/674329504.db2.gz GXYQZWXPSPOPLK-LBPRGKRZSA-N -1 3 365.352 0.151 10 0 FCAEHM CN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)C[C@H](O)CN1CCOCC1 ZINC000083245486 488447280 /nfs/dbraw/zinc/44/72/80/488447280.db2.gz FGNLVLRKUPNNRF-ZDUSSCGKSA-N -1 3 372.425 0.794 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)Cn2cnc(-c3ccccc3)n2)nc1=N ZINC000562901806 491199894 /nfs/dbraw/zinc/19/98/94/491199894.db2.gz RGUURNTXFSDAIF-ZDUSSCGKSA-N -1 3 352.402 0.850 10 0 FCAEHM Cc1nc(S(=O)(=O)N2CCN(Cc3nc(C)ccc3[O-])CC2)cn1C ZINC000093819328 488480027 /nfs/dbraw/zinc/48/00/27/488480027.db2.gz VLLKPOZDFKJKLB-UHFFFAOYSA-N -1 3 365.459 0.644 10 0 FCAEHM CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000101604513 488495416 /nfs/dbraw/zinc/49/54/16/488495416.db2.gz GNDFOZQWGLCHEZ-HNNXBMFYSA-N -1 3 371.441 0.596 10 0 FCAEHM CC[C@@](C)(COc1ncccc1Cl)NC(=O)CN1CC(=O)[N-]C1=O ZINC000269387189 488498372 /nfs/dbraw/zinc/49/83/72/488498372.db2.gz GXZARPCTGLQXEW-HNNXBMFYSA-N -1 3 354.794 0.951 10 0 FCAEHM C[C@@H](C(=O)NCCc1ccc(F)cc1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000248683605 488500807 /nfs/dbraw/zinc/50/08/07/488500807.db2.gz RIFJNKSGTOSMJA-SGTLLEGYSA-N -1 3 362.405 0.547 10 0 FCAEHM C[C@H](C(=O)NCCc1ccc(F)cc1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000248683608 488501114 /nfs/dbraw/zinc/50/11/14/488501114.db2.gz RIFJNKSGTOSMJA-XIKOKIGWSA-N -1 3 362.405 0.547 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]C[C@@H](Cc2ccc(F)cc2)C(N)=O)cn1C ZINC000104750026 488506050 /nfs/dbraw/zinc/50/60/50/488506050.db2.gz XIOGUXWFLKCEGA-GFCCVEGCSA-N -1 3 354.407 0.490 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2CN3CCN2CC3)c(Cl)c1 ZINC000269484105 488508059 /nfs/dbraw/zinc/50/80/59/488508059.db2.gz MHWOCDSQKIQMCE-GFCCVEGCSA-N -1 3 373.862 0.405 10 0 FCAEHM C[C@H]1CCN(S(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)C[C@H]1C ZINC000253556446 488521382 /nfs/dbraw/zinc/52/13/82/488521382.db2.gz MRGWQRQZMDNWBJ-VHSXEESVSA-N -1 3 352.416 0.701 10 0 FCAEHM CN1CCC[C@H]1CNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000271701665 488539769 /nfs/dbraw/zinc/53/97/69/488539769.db2.gz HLIRJJSTYDUOGZ-JTQLQIEISA-N -1 3 365.452 0.570 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)Cn2nnc3ccccc3c2=O)n[n-]1 ZINC000119894128 488559263 /nfs/dbraw/zinc/55/92/63/488559263.db2.gz NRXIHXGJFSVPHX-UHFFFAOYSA-N -1 3 350.342 0.554 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)Cn2nnc3ccccc3c2=O)[n-]n1 ZINC000119894128 488559265 /nfs/dbraw/zinc/55/92/65/488559265.db2.gz NRXIHXGJFSVPHX-UHFFFAOYSA-N -1 3 350.342 0.554 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-][C@@H](C)Cn2ncc3ccccc3c2=O)cn1C ZINC000120987422 488563986 /nfs/dbraw/zinc/56/39/86/488563986.db2.gz JSYXPGHZJSPBQC-NSHDSACASA-N -1 3 361.427 0.805 10 0 FCAEHM Cn1nccc1CCC(=O)NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000122456880 488578719 /nfs/dbraw/zinc/57/87/19/488578719.db2.gz IHNVGAHGVRQVJZ-SFHVURJKSA-N -1 3 355.398 0.724 10 0 FCAEHM COC[C@@](C)(CCO)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000272414920 488579035 /nfs/dbraw/zinc/57/90/35/488579035.db2.gz DOOSSIHQFZVAQG-ZWNOBZJWSA-N -1 3 350.462 0.319 10 0 FCAEHM O=C(Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1)[C@@H]1COCCN1 ZINC000262615381 488581614 /nfs/dbraw/zinc/58/16/14/488581614.db2.gz KRPTYNIHWXVHKQ-NSHDSACASA-N -1 3 367.349 0.454 10 0 FCAEHM Cc1cc(C[C@@H](C)NC(=O)NCC[N-]S(=O)(=O)c2cccs2)[nH]n1 ZINC000122907360 488581624 /nfs/dbraw/zinc/58/16/24/488581624.db2.gz HHGVDGVLMWLULJ-SNVBAGLBSA-N -1 3 371.488 0.988 10 0 FCAEHM Cn1cc(N2CCC[C@@H]([N-]S(=O)(=O)c3cn(C)c(Cl)n3)C2)cn1 ZINC000124298977 488591383 /nfs/dbraw/zinc/59/13/83/488591383.db2.gz HETFTYCHLLDKBZ-SNVBAGLBSA-N -1 3 358.855 0.754 10 0 FCAEHM COCC1(CCNS(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)CC1 ZINC000563058666 491210890 /nfs/dbraw/zinc/21/08/90/491210890.db2.gz OVILIPLPWHITDD-UHFFFAOYSA-N -1 3 368.415 0.129 10 0 FCAEHM COc1ccc(O[C@H](C)C(=O)N2CCO[C@@H](CN(C)CC(=O)[O-])C2)cc1 ZINC000262969725 488601742 /nfs/dbraw/zinc/60/17/42/488601742.db2.gz RRKPJZHWKVITKN-CJNGLKHVSA-N -1 3 366.414 0.706 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)[C@H]1CCCc2n[nH]cc21 ZINC000126254088 488608002 /nfs/dbraw/zinc/60/80/02/488608002.db2.gz NHQRVYRIINYRQP-JTQLQIEISA-N -1 3 354.457 0.986 10 0 FCAEHM O=C(Cn1cnnn1)N1CCN(C(=O)c2ccc3c(c2[O-])CCCC3)CC1 ZINC000273285203 488641943 /nfs/dbraw/zinc/64/19/43/488641943.db2.gz HLQPWRMZVPDCIC-UHFFFAOYSA-N -1 3 370.413 0.242 10 0 FCAEHM COC(=O)CCSc1ncccc1NC(=O)CN1CC(=O)[N-]C1=O ZINC000273324128 488643713 /nfs/dbraw/zinc/64/37/13/488643713.db2.gz ZZLHAMAUSLCUBR-UHFFFAOYSA-N -1 3 352.372 0.227 10 0 FCAEHM COC(=O)[C@@]1(NC(=O)CCNC(=O)c2ccc(C)cc2[O-])CCSC1 ZINC000273339456 488644505 /nfs/dbraw/zinc/64/45/05/488644505.db2.gz QDJBUFQUIQLASJ-QGZVFWFLSA-N -1 3 366.439 0.985 10 0 FCAEHM CN(Cc1nc2ccsc2c(=O)[n-]1)C[C@@H](O)COC[C@@H]1CCCO1 ZINC000131550382 488647159 /nfs/dbraw/zinc/64/71/59/488647159.db2.gz OQVUQFXVASYZSE-NEPJUHHUSA-N -1 3 353.444 0.973 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000132389908 488653025 /nfs/dbraw/zinc/65/30/25/488653025.db2.gz YYWSOFZMBFZJRK-MNOVXSKESA-N -1 3 372.219 0.469 10 0 FCAEHM CCc1nnc([N-]C(=O)c2cnc3c(c2CC)c(=O)n(C)c(=O)n3C)s1 ZINC000132465671 488653538 /nfs/dbraw/zinc/65/35/38/488653538.db2.gz BNGQSWXMMBMVQC-UHFFFAOYSA-N -1 3 374.426 0.861 10 0 FCAEHM COc1ccccc1[C@H](CNC(=O)CN1CC(=O)[N-]C1=O)N1CCCC1 ZINC000264641370 488693620 /nfs/dbraw/zinc/69/36/20/488693620.db2.gz FEXCZRWRHREOFL-AWEZNQCLSA-N -1 3 360.414 0.500 10 0 FCAEHM CC(C)(C)OC(=O)NCC1CCN(C(=O)CN2CC(=O)[N-]C2=O)CC1 ZINC000264664708 488695994 /nfs/dbraw/zinc/69/59/94/488695994.db2.gz IEAMGKAXSRUKIL-UHFFFAOYSA-N -1 3 354.407 0.302 10 0 FCAEHM CCN(CCO)CC[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000274353479 488700830 /nfs/dbraw/zinc/70/08/30/488700830.db2.gz BJEWAEYXRMWSSL-UHFFFAOYSA-N -1 3 364.851 0.719 10 0 FCAEHM COc1ccc([C@H](CNC(=O)CN2CC(=O)[N-]C2=O)N2CCCCC2)cc1 ZINC000264708170 488701268 /nfs/dbraw/zinc/70/12/68/488701268.db2.gz OBIRBIWYRFWDNH-INIZCTEOSA-N -1 3 374.441 0.890 10 0 FCAEHM COc1ccnc(N2CCN(C(=O)CNC(=O)c3cccc([O-])c3)CC2)n1 ZINC000274447340 488708979 /nfs/dbraw/zinc/70/89/79/488708979.db2.gz IJWFEQGEFSSLAN-UHFFFAOYSA-N -1 3 371.397 0.269 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000274603935 488722901 /nfs/dbraw/zinc/72/29/01/488722901.db2.gz XQVRZFPRQGOVND-FZMZJTMJSA-N -1 3 360.457 0.433 10 0 FCAEHM COC(=O)[C@H](NC(=O)CN1CC(=O)[N-]C1=O)c1ccc(OC)c(Cl)c1 ZINC000274631990 488723907 /nfs/dbraw/zinc/72/39/07/488723907.db2.gz SLCCAVQXKGWJED-CYBMUJFWSA-N -1 3 369.761 0.231 10 0 FCAEHM Cc1nc(C)c(CCC(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)c(=O)[n-]1 ZINC000154031308 488737486 /nfs/dbraw/zinc/73/74/86/488737486.db2.gz ZIAVUTGMPYCLBE-AWEZNQCLSA-N -1 3 358.446 0.838 10 0 FCAEHM O=C(NCc1cccc(N2CCOCC2)n1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000274899069 488741863 /nfs/dbraw/zinc/74/18/63/488741863.db2.gz MJZVQSCDYAMYFL-UHFFFAOYSA-N -1 3 366.377 0.732 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000154944897 488748725 /nfs/dbraw/zinc/74/87/25/488748725.db2.gz KYXALTWNRHMYKG-YGRLFVJLSA-N -1 3 366.368 0.644 10 0 FCAEHM O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)C1CC2(C1)NC(=O)[N-]C2=O ZINC000155177779 488752500 /nfs/dbraw/zinc/75/25/00/488752500.db2.gz SGZPJNFAPQXTNZ-XAUUPUKJSA-N -1 3 356.426 0.755 10 0 FCAEHM Cc1cc(S(=O)(=O)[N-]C[C@@H](O)CN2CCOCC2)c(Cl)cc1F ZINC000155972708 488760905 /nfs/dbraw/zinc/76/09/05/488760905.db2.gz MGAPTUZLOLSQKB-LLVKDONJSA-N -1 3 366.842 0.759 10 0 FCAEHM COc1ccc2c(c1)CCN2C(=O)C[N-]S(=O)(=O)CCOC(C)C ZINC000267136626 488764178 /nfs/dbraw/zinc/76/41/78/488764178.db2.gz MTUGVZTUMDPRFC-UHFFFAOYSA-N -1 3 356.444 0.929 10 0 FCAEHM C[C@H](CNC(=O)CN1CC(=O)[N-]C1=O)Oc1ccccc1Br ZINC000267183667 488767784 /nfs/dbraw/zinc/76/77/84/488767784.db2.gz ZSLWHNITTBUZIG-SECBINFHSA-N -1 3 370.203 0.884 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCC(Oc2cncc(Cl)n2)CC1 ZINC000275167149 488767969 /nfs/dbraw/zinc/76/79/69/488767969.db2.gz WBOCPCMPELJPBB-UHFFFAOYSA-N -1 3 353.766 0.052 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)[C@H](O)C(=O)OC)cc1F ZINC000277827230 488789770 /nfs/dbraw/zinc/78/97/70/488789770.db2.gz YUCHYOAFTXHQGL-LLVKDONJSA-N -1 3 363.363 0.203 10 0 FCAEHM CC[C@H](NC(=O)Cc1noc(CN2CC(=O)[N-]C2=O)n1)c1ccccc1 ZINC000278097125 488800264 /nfs/dbraw/zinc/80/02/64/488800264.db2.gz ZGKWYPXEPRGPNX-LBPRGKRZSA-N -1 3 357.370 0.931 10 0 FCAEHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H]2CNCCC2(F)F)s1 ZINC000563130085 491218834 /nfs/dbraw/zinc/21/88/34/491218834.db2.gz QSCREEQBJGBTMZ-SECBINFHSA-N -1 3 370.399 0.819 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)Nc2nc3c(s2)C(=O)CCC3)c1 ZINC000268077997 488838126 /nfs/dbraw/zinc/83/81/26/488838126.db2.gz DOAACAGBCVZRQL-UHFFFAOYSA-N -1 3 369.428 0.313 10 0 FCAEHM COC(=O)[C@@]1([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)CCOC1 ZINC000268077663 488838170 /nfs/dbraw/zinc/83/81/70/488838170.db2.gz UHORXZYNAFRLSE-OAHLLOKOSA-N -1 3 372.374 0.321 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCCn3nc(C)nc32)ccc1F ZINC000175692570 488855019 /nfs/dbraw/zinc/85/50/19/488855019.db2.gz APJIJELEESSLJH-LBPRGKRZSA-N -1 3 367.406 0.899 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N(C)Cc1nncn1C ZINC000288387505 488976513 /nfs/dbraw/zinc/97/65/13/488976513.db2.gz OFKKAKROXLVRCF-JTQLQIEISA-N -1 3 355.395 0.280 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC(F)(F)C[C@@H]1CO ZINC000364604753 488976939 /nfs/dbraw/zinc/97/69/39/488976939.db2.gz VKDDFQHJEOHTJV-RKDXNWHRSA-N -1 3 354.400 0.643 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-][C@@H](c2nc[nH]n2)c2ccccc2)C[C@H](C)O1 ZINC000364606733 488977659 /nfs/dbraw/zinc/97/76/59/488977659.db2.gz KJVWQQJGRPOSEN-MBNYWOFBSA-N -1 3 351.432 0.838 10 0 FCAEHM COC(=O)C(C)(C)CS(=O)(=O)[N-][C@H]1CCN(c2ccccc2)C1=O ZINC000288442808 488981182 /nfs/dbraw/zinc/98/11/82/488981182.db2.gz URCHHWFQLRZUDX-ZDUSSCGKSA-N -1 3 354.428 0.911 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000570252431 491227473 /nfs/dbraw/zinc/22/74/73/491227473.db2.gz ZYZJVRHBWGPVNU-KGLIPLIRSA-N -1 3 371.459 0.845 10 0 FCAEHM COCCOCCN(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000288775238 489015124 /nfs/dbraw/zinc/01/51/24/489015124.db2.gz AAMQONUFWCMQPV-LBPRGKRZSA-N -1 3 362.423 0.614 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@]3(CCOC3)OC(C)(C)C2)c(C)o1 ZINC000280637835 489022156 /nfs/dbraw/zinc/02/21/56/489022156.db2.gz SZLKHUBHRHBWBR-INIZCTEOSA-N -1 3 372.443 0.906 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@]3(CCOC3)OC(C)(C)C2)c(C)o1 ZINC000280637848 489022412 /nfs/dbraw/zinc/02/24/12/489022412.db2.gz SZLKHUBHRHBWBR-MRXNPFEDSA-N -1 3 372.443 0.906 10 0 FCAEHM C[C@]1(c2cccc(-c3noc([C@]4(C)CCC(=O)NC4)n3)c2)NC(=O)[N-]C1=O ZINC000288942542 489031098 /nfs/dbraw/zinc/03/10/98/489031098.db2.gz OEECOYJERWXUGA-QZTJIDSGSA-N -1 3 369.381 0.959 10 0 FCAEHM COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)c2cccc([O-])c2)C1 ZINC000365173145 489045416 /nfs/dbraw/zinc/04/54/16/489045416.db2.gz RYWXSRFKOOBALR-OAHLLOKOSA-N -1 3 356.444 0.905 10 0 FCAEHM C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000289428855 489066964 /nfs/dbraw/zinc/06/69/64/489066964.db2.gz NKBWWNVMBKDCCP-NWDGAFQWSA-N -1 3 370.413 0.651 10 0 FCAEHM COc1ccc(NC(=O)NC(=O)CN2CCC[C@H](c3nc(=O)[n-][nH]3)C2)cc1 ZINC000289466405 489069158 /nfs/dbraw/zinc/06/91/58/489069158.db2.gz QOEMRMNHWFZATF-NSHDSACASA-N -1 3 374.401 0.634 10 0 FCAEHM O=C(CN1CCC(c2nc(=O)[n-][nH]2)CC1)NCCN1CCc2ccccc21 ZINC000289541504 489075725 /nfs/dbraw/zinc/07/57/25/489075725.db2.gz WTICTUUHKADXOX-UHFFFAOYSA-N -1 3 370.457 0.456 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)NCCCCN1CCOCC1 ZINC000289629243 489082327 /nfs/dbraw/zinc/08/23/27/489082327.db2.gz WXYCCCICNTWPGL-UHFFFAOYSA-N -1 3 373.450 0.333 10 0 FCAEHM COc1ccccc1CCNC(=O)CN1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000365508546 489082362 /nfs/dbraw/zinc/08/23/62/489082362.db2.gz BLACPFPMRZMIGF-SFHVURJKSA-N -1 3 360.414 0.028 10 0 FCAEHM COc1cccc(CS(=O)(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000365572283 489088932 /nfs/dbraw/zinc/08/89/32/489088932.db2.gz GFWCOPFPCWBCTL-OAHLLOKOSA-N -1 3 353.400 0.199 10 0 FCAEHM CC(C)S(=O)(=O)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000365654740 489096899 /nfs/dbraw/zinc/09/68/99/489096899.db2.gz SJWCLGHCHFGJMQ-AWEZNQCLSA-N -1 3 368.455 0.936 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]CCCn1cc(CO)nn1 ZINC000290150082 489117799 /nfs/dbraw/zinc/11/77/99/489117799.db2.gz ISXKIOCGEPJIIF-UHFFFAOYSA-N -1 3 372.403 0.135 10 0 FCAEHM CC(C)(C)OC(=O)N1CC(CC(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)C1 ZINC000366081513 489142305 /nfs/dbraw/zinc/14/23/05/489142305.db2.gz CZACFVHSASYNBB-QGZVFWFLSA-N -1 3 366.418 0.444 10 0 FCAEHM COc1cc(NC(=O)C[N-]S(=O)(=O)c2c(C)noc2C)ccc1O ZINC000290813244 489167375 /nfs/dbraw/zinc/16/73/75/489167375.db2.gz GJDSHKFVRAFTCL-UHFFFAOYSA-N -1 3 355.372 0.923 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)Nc2nnc(OC)s2)s1 ZINC000282829146 489192587 /nfs/dbraw/zinc/19/25/87/489192587.db2.gz NWWJYYFJTMFSNJ-UHFFFAOYSA-N -1 3 363.446 0.838 10 0 FCAEHM COC(=O)CCS(=O)(=O)[N-]c1cccc(N2C(=O)NC(C)(C)C2=O)c1 ZINC000555121683 491239352 /nfs/dbraw/zinc/23/93/52/491239352.db2.gz IOBQZALHJDDKRT-UHFFFAOYSA-N -1 3 369.399 0.826 10 0 FCAEHM COc1ccc2c(c1)C[C@H](C(=O)Nc1[n-]nnc1C(=O)NC1CC1)CO2 ZINC000297741435 489233744 /nfs/dbraw/zinc/23/37/44/489233744.db2.gz NELDNUDSVKSGKN-JTQLQIEISA-N -1 3 357.370 0.895 10 0 FCAEHM COc1ccc2c(c1)C[C@H](C(=O)Nc1nn[n-]c1C(=O)NC1CC1)CO2 ZINC000297741435 489233747 /nfs/dbraw/zinc/23/37/47/489233747.db2.gz NELDNUDSVKSGKN-JTQLQIEISA-N -1 3 357.370 0.895 10 0 FCAEHM COc1ccc2c(c1)C[C@H](C(=O)Nc1n[n-]nc1C(=O)NC1CC1)CO2 ZINC000297741435 489233748 /nfs/dbraw/zinc/23/37/48/489233748.db2.gz NELDNUDSVKSGKN-JTQLQIEISA-N -1 3 357.370 0.895 10 0 FCAEHM O=C(CN1C(=O)COc2ccccc21)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000297793488 489241369 /nfs/dbraw/zinc/24/13/69/489241369.db2.gz RPWJGEDYPDEMKK-UHFFFAOYSA-N -1 3 356.342 0.061 10 0 FCAEHM O=C(CN1C(=O)COc2ccccc21)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000297793488 489241371 /nfs/dbraw/zinc/24/13/71/489241371.db2.gz RPWJGEDYPDEMKK-UHFFFAOYSA-N -1 3 356.342 0.061 10 0 FCAEHM O=C(CN1C(=O)COc2ccccc21)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000297793488 489241373 /nfs/dbraw/zinc/24/13/73/489241373.db2.gz RPWJGEDYPDEMKK-UHFFFAOYSA-N -1 3 356.342 0.061 10 0 FCAEHM COc1ccc(C2=NO[C@H](CNC(=O)C[C@@H]3NC(=O)[N-]C3=O)C2)cc1F ZINC000283549308 489273431 /nfs/dbraw/zinc/27/34/31/489273431.db2.gz NEZMSWVSHPLCFU-CABZTGNLSA-N -1 3 364.333 0.042 10 0 FCAEHM O=C1N[C@@H](CF)C(=O)N1CC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000348959154 489280278 /nfs/dbraw/zinc/28/02/78/489280278.db2.gz SMAAHFWBQXTWSB-VIFPVBQESA-N -1 3 351.306 0.133 10 0 FCAEHM Cc1n[nH]cc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CC[C@H]1C1CC1 ZINC000349475747 489294284 /nfs/dbraw/zinc/29/42/84/489294284.db2.gz FRJMACYISVMSQT-ZDUSSCGKSA-N -1 3 362.477 0.664 10 0 FCAEHM CC[C@H]1CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1cnn(CC)c1 ZINC000349477615 489294815 /nfs/dbraw/zinc/29/48/15/489294815.db2.gz IXPGRXLDFKARGN-ZDUSSCGKSA-N -1 3 364.493 0.849 10 0 FCAEHM C[C@@H](CO)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C ZINC000349478816 489295357 /nfs/dbraw/zinc/29/53/57/489295357.db2.gz IAKGGYWLJSXJDK-NSHDSACASA-N -1 3 364.489 0.765 10 0 FCAEHM Cc1ncc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@H]2C2CC2)cn1 ZINC000349484630 489297337 /nfs/dbraw/zinc/29/73/37/489297337.db2.gz SONBIODHOISCMY-AWEZNQCLSA-N -1 3 374.488 0.731 10 0 FCAEHM Cc1n[nH]cc1[N-]S(=O)(=O)CCCS(=O)(=O)N1C[C@H](C)[C@H]1C ZINC000349486483 489298040 /nfs/dbraw/zinc/29/80/40/489298040.db2.gz VSJRICXEQTYDNE-GXSJLCMTSA-N -1 3 350.466 0.520 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)c2ccnc(N3CCN(C)CC3)c2)nc1=N ZINC000570521443 491247279 /nfs/dbraw/zinc/24/72/79/491247279.db2.gz RLUCAHMEDFJCIZ-AWEZNQCLSA-N -1 3 370.461 0.352 10 0 FCAEHM CN1C(=O)N[C@@]2(CCC[C@H]2C[N-]S(=O)(=O)c2ccccc2F)C1=O ZINC000370025077 489305451 /nfs/dbraw/zinc/30/54/51/489305451.db2.gz GWMSXZCZKCSIDQ-ZUZCIYMTSA-N -1 3 355.391 0.825 10 0 FCAEHM Cc1n[nH]cc1[N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000349538666 489311299 /nfs/dbraw/zinc/31/12/99/489311299.db2.gz GZFUQNBPAHZBOE-ZSBIGDGJSA-N -1 3 362.477 0.568 10 0 FCAEHM CCN(CC)S(=O)(=O)CCCS(=O)(=O)[N-]c1c(C)n[nH]c1C ZINC000349573938 489319547 /nfs/dbraw/zinc/31/95/47/489319547.db2.gz LCPXQNSHHHCNIH-UHFFFAOYSA-N -1 3 352.482 0.830 10 0 FCAEHM O=S(=O)(CCCCS(=O)(=O)N[C@@H]1C[C@H]2C[C@H]2C1)[N-]c1ccnnc1 ZINC000349583169 489321653 /nfs/dbraw/zinc/32/16/53/489321653.db2.gz JIQXEQLODQQELW-DABQJJPHSA-N -1 3 374.488 0.716 10 0 FCAEHM NC(=O)c1ccsc1NC(=O)CCN1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000298401103 489323406 /nfs/dbraw/zinc/32/34/06/489323406.db2.gz FDYVFVPQIVNNAP-VIFPVBQESA-N -1 3 364.431 0.467 10 0 FCAEHM C[C@@H](Cn1ccnc1)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000298428020 489325750 /nfs/dbraw/zinc/32/57/50/489325750.db2.gz DAYXQKHXANCHHR-RYUDHWBXSA-N -1 3 354.407 0.894 10 0 FCAEHM Cc1n[nH]cc1[N-]S(=O)(=O)CCCCS(=O)(=O)N1C[C@@H](C)[C@H]1C ZINC000349607215 489326910 /nfs/dbraw/zinc/32/69/10/489326910.db2.gz LQGHVQOIAIHSPB-ZYHUDNBSSA-N -1 3 364.493 0.910 10 0 FCAEHM Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000555294031 491244689 /nfs/dbraw/zinc/24/46/89/491244689.db2.gz KSYZOMSHBHAZEI-GXFFZTMASA-N -1 3 362.434 0.953 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCCC[C@@H]1C(N)=O ZINC000298718108 489356179 /nfs/dbraw/zinc/35/61/79/489356179.db2.gz QBUIAYNWZLTHEK-CMPLNLGQSA-N -1 3 357.407 0.359 10 0 FCAEHM C[C@]1(c2cccc(C(=O)N3CCO[C@@]4(CCCOC4)C3)c2)NC(=O)[N-]C1=O ZINC000286268509 489374809 /nfs/dbraw/zinc/37/48/09/489374809.db2.gz HZCXVFDTAKBDHE-MOPGFXCFSA-N -1 3 373.409 0.763 10 0 FCAEHM NC(=O)[C@@]1(O)CCN(C(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)C1 ZINC000370575562 489377373 /nfs/dbraw/zinc/37/73/73/489377373.db2.gz JWENALGXYTZVLE-LJQANCHMSA-N -1 3 354.362 0.686 10 0 FCAEHM COCCn1cc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)cn1 ZINC000298949224 489386529 /nfs/dbraw/zinc/38/65/29/489386529.db2.gz JRQPSMXELHFNNO-NSHDSACASA-N -1 3 370.406 0.974 10 0 FCAEHM CC(C)[C@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1nc(-c2cccnc2)no1 ZINC000362728516 489394795 /nfs/dbraw/zinc/39/47/95/489394795.db2.gz VBKPCKRVEUZLDP-JQWIXIFHSA-N -1 3 358.358 0.543 10 0 FCAEHM NC(=O)[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)O1 ZINC000286477942 489395329 /nfs/dbraw/zinc/39/53/29/489395329.db2.gz AACZPPWHKWTGOZ-YUMQZZPRSA-N -1 3 353.322 0.412 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)CCN2C(=O)c3ccccc3C2=O)nc1=N ZINC000555532009 491252811 /nfs/dbraw/zinc/25/28/11/491252811.db2.gz GWTYFVGCSQTDQD-CYBMUJFWSA-N -1 3 368.397 0.577 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000362865073 489402690 /nfs/dbraw/zinc/40/26/90/489402690.db2.gz YJVJTGCLOBHQKX-UHFFFAOYSA-N -1 3 370.207 0.361 10 0 FCAEHM CCS(=O)(=O)NCCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000363014232 489412167 /nfs/dbraw/zinc/41/21/67/489412167.db2.gz UBTAYOGQATXOFI-CYBMUJFWSA-N -1 3 369.443 0.052 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCNC(=O)C[C@@H]1C ZINC000371050950 489445916 /nfs/dbraw/zinc/44/59/16/489445916.db2.gz ZMTMNEPKPQRUFV-QWRGUYRKSA-N -1 3 357.407 0.230 10 0 FCAEHM NC(=O)[C@@H]1CC[C@H](CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])O1 ZINC000371143159 489456131 /nfs/dbraw/zinc/45/61/31/489456131.db2.gz YFNFCUXRPLDBAG-KYOSRNDESA-N -1 3 361.398 0.146 10 0 FCAEHM COc1c2cnn(C)c2ncc1C(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1 ZINC000570638369 491254903 /nfs/dbraw/zinc/25/49/03/491254903.db2.gz WOHSBJQUUKSRJQ-LLVKDONJSA-N -1 3 356.390 0.495 10 0 FCAEHM CCOC(=O)C[C@@H](O)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000555559079 491255040 /nfs/dbraw/zinc/25/50/40/491255040.db2.gz GNIBFTLETWNSPY-GFCCVEGCSA-N -1 3 374.390 0.519 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000371282580 489473693 /nfs/dbraw/zinc/47/36/93/489473693.db2.gz ZDTNWPSVLFZNLK-QWRGUYRKSA-N -1 3 366.418 0.889 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000371282580 489473695 /nfs/dbraw/zinc/47/36/95/489473695.db2.gz ZDTNWPSVLFZNLK-QWRGUYRKSA-N -1 3 366.418 0.889 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c(C)o1 ZINC000371363736 489480959 /nfs/dbraw/zinc/48/09/59/489480959.db2.gz HMBVSGBKPNWMAG-FBIMIBRVSA-N -1 3 356.400 0.662 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000371599742 489489871 /nfs/dbraw/zinc/48/98/71/489489871.db2.gz QXWYUFCSDRTCME-UHFFFAOYSA-N -1 3 370.369 0.389 10 0 FCAEHM CCOc1ccncc1S(=O)(=O)[N-][C@@H](CCSC)C(=O)N(C)C ZINC000451554338 489509903 /nfs/dbraw/zinc/50/99/03/489509903.db2.gz DXSZEVZREMBRNO-NSHDSACASA-N -1 3 361.489 0.969 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-]C[C@H]2CCCCN2CCO)oc1C ZINC000451666823 489516166 /nfs/dbraw/zinc/51/61/66/489516166.db2.gz IAMQKHVQIVOZPW-GFCCVEGCSA-N -1 3 360.432 0.500 10 0 FCAEHM CC[C@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)[C@@H](O)C(F)F ZINC000451706423 489519107 /nfs/dbraw/zinc/51/91/07/489519107.db2.gz GOASZZQAWAGQSK-GZMMTYOYSA-N -1 3 357.400 0.773 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@]2(CCOC2)C1 ZINC000452018369 489538679 /nfs/dbraw/zinc/53/86/79/489538679.db2.gz QQMOEXHNYQFOKA-HNNXBMFYSA-N -1 3 374.484 0.786 10 0 FCAEHM C[C@H]1CN(C(=O)CCn2[n-]c(=O)c3ccccc3c2=O)[C@@H](C)CN1CCO ZINC000416285876 489577327 /nfs/dbraw/zinc/57/73/27/489577327.db2.gz AHYAIGXSKQJQKY-KBPBESRZSA-N -1 3 374.441 0.406 10 0 FCAEHM COCCN1CCC[C@@H]1C[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F ZINC000416394381 489589068 /nfs/dbraw/zinc/58/90/68/489589068.db2.gz YHJPSZBOSLVTLE-SNVBAGLBSA-N -1 3 373.406 0.649 10 0 FCAEHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]C[C@@H](O)CN3CCCCC3)cn21 ZINC000416405238 489590186 /nfs/dbraw/zinc/59/01/86/489590186.db2.gz SNQLAZVOGSDHBG-ZIAGYGMSSA-N -1 3 356.492 0.906 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]CC(=O)Nc2cc(OC)cc(OC)c2)c1 ZINC000427257421 489599767 /nfs/dbraw/zinc/59/97/67/489599767.db2.gz QUFBSZMDMXKESD-UHFFFAOYSA-N -1 3 368.415 0.837 10 0 FCAEHM CC[C@H](CNS(C)(=O)=O)[N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C ZINC000416497954 489601784 /nfs/dbraw/zinc/60/17/84/489601784.db2.gz UEGUYSYWDQOZDM-GHMZBOCLSA-N -1 3 364.493 0.387 10 0 FCAEHM CC(C)(C)c1nc(C[N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)n[nH]1 ZINC000416542347 489608191 /nfs/dbraw/zinc/60/81/91/489608191.db2.gz LGDSNNQZYOBXBF-UHFFFAOYSA-N -1 3 372.472 0.984 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]CC2(N3CCOCC3)CCN(C)CC2)o1 ZINC000416594967 489615579 /nfs/dbraw/zinc/61/55/79/489615579.db2.gz XQFJQKUQXOXHLS-UHFFFAOYSA-N -1 3 357.476 0.663 10 0 FCAEHM CC(C)OC(=O)[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000456609765 489621129 /nfs/dbraw/zinc/62/11/29/489621129.db2.gz FOQSOBWKONPPMW-QWRGUYRKSA-N -1 3 360.407 0.949 10 0 FCAEHM COc1nc(NC(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)n[n-]1 ZINC000373042313 489663466 /nfs/dbraw/zinc/66/34/66/489663466.db2.gz LJPVEAFNYLTCAF-CMPLNLGQSA-N -1 3 361.406 0.874 10 0 FCAEHM COc1nnc(NC(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)[n-]1 ZINC000373042313 489663470 /nfs/dbraw/zinc/66/34/70/489663470.db2.gz LJPVEAFNYLTCAF-CMPLNLGQSA-N -1 3 361.406 0.874 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)n1 ZINC000373042313 489663473 /nfs/dbraw/zinc/66/34/73/489663473.db2.gz LJPVEAFNYLTCAF-CMPLNLGQSA-N -1 3 361.406 0.874 10 0 FCAEHM Cn1cnnc1NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000429470590 489689275 /nfs/dbraw/zinc/68/92/75/489689275.db2.gz MVSGTXLTRMFFNH-UHFFFAOYSA-N -1 3 364.362 1.335 10 0 FCAEHM COc1cccc(N2C[C@H](NC(=O)C(=O)[N-]c3cnns3)CC2=O)c1 ZINC000429667902 489695819 /nfs/dbraw/zinc/69/58/19/489695819.db2.gz ZIOMKRWJLBGCOS-SECBINFHSA-N -1 3 361.383 0.407 10 0 FCAEHM COc1cccc(C2(NC(=O)CN3CC(=O)[N-]C3=O)CCOCC2)c1F ZINC000570910270 491272981 /nfs/dbraw/zinc/27/29/81/491272981.db2.gz KLGQQXLCQKBVNC-UHFFFAOYSA-N -1 3 365.361 0.508 10 0 FCAEHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000430224715 489725565 /nfs/dbraw/zinc/72/55/65/489725565.db2.gz WHFQMJBKWBJUFM-VHSXEESVSA-N -1 3 367.427 0.976 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)NC[C@@H](CO)c1cccnc1 ZINC000490104972 489747422 /nfs/dbraw/zinc/74/74/22/489747422.db2.gz PFURTPOLOIIPBP-AWEZNQCLSA-N -1 3 368.393 0.780 10 0 FCAEHM C/C=C\C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]C)nc1)C(=O)OCC ZINC000474423336 489762506 /nfs/dbraw/zinc/76/25/06/489762506.db2.gz ZCIMTLYXEWSKTF-TXNVCOODSA-N -1 3 355.416 0.617 10 0 FCAEHM CCOC(=O)c1sc([C@H](C)NC(=O)C[C@@H]2NC(=O)[N-]C2=O)nc1C ZINC000490432181 489766675 /nfs/dbraw/zinc/76/66/75/489766675.db2.gz QECMFKDGQYPVTK-YUMQZZPRSA-N -1 3 354.388 0.404 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@](C)(COC)C(F)(F)F)cn1 ZINC000474538782 489767798 /nfs/dbraw/zinc/76/77/98/489767798.db2.gz ILEZXIDLCZYLLS-LLVKDONJSA-N -1 3 355.338 0.687 10 0 FCAEHM Cc1nc(-c2cccc(NC(=O)N3CCN4C(=O)[N-]C(=O)[C@H]4C3)c2)no1 ZINC000490544225 489772842 /nfs/dbraw/zinc/77/28/42/489772842.db2.gz LWVGUYCQFMOAPY-GFCCVEGCSA-N -1 3 356.342 0.813 10 0 FCAEHM COc1nnc(NC(=O)c2cn([C@H]3CCS(=O)(=O)C3)nc2C(C)C)[n-]1 ZINC000490660576 489779045 /nfs/dbraw/zinc/77/90/45/489779045.db2.gz MKOWZTCQEXMZNY-VIFPVBQESA-N -1 3 368.419 0.745 10 0 FCAEHM COc1nc(NC(=O)c2cn([C@H]3CCS(=O)(=O)C3)nc2C(C)C)n[n-]1 ZINC000490660576 489779050 /nfs/dbraw/zinc/77/90/50/489779050.db2.gz MKOWZTCQEXMZNY-VIFPVBQESA-N -1 3 368.419 0.745 10 0 FCAEHM COc1n[n-]c(NC(=O)c2cn([C@H]3CCS(=O)(=O)C3)nc2C(C)C)n1 ZINC000490660576 489779054 /nfs/dbraw/zinc/77/90/54/489779054.db2.gz MKOWZTCQEXMZNY-VIFPVBQESA-N -1 3 368.419 0.745 10 0 FCAEHM COc1nc(NC(=O)CCS(=O)(=O)c2ccc(OC)c(OC)c2)n[n-]1 ZINC000490683476 489780133 /nfs/dbraw/zinc/78/01/33/489780133.db2.gz IVUJVHHHKIATRF-UHFFFAOYSA-N -1 3 370.387 0.633 10 0 FCAEHM COc1nnc(NC(=O)CCS(=O)(=O)c2ccc(OC)c(OC)c2)[n-]1 ZINC000490683476 489780137 /nfs/dbraw/zinc/78/01/37/489780137.db2.gz IVUJVHHHKIATRF-UHFFFAOYSA-N -1 3 370.387 0.633 10 0 FCAEHM COc1n[n-]c(NC(=O)CCS(=O)(=O)c2ccc(OC)c(OC)c2)n1 ZINC000490683476 489780142 /nfs/dbraw/zinc/78/01/42/489780142.db2.gz IVUJVHHHKIATRF-UHFFFAOYSA-N -1 3 370.387 0.633 10 0 FCAEHM O=C(CO)N1CCN(C(=O)Cc2ccc(Br)cc2[O-])CC1 ZINC000490880182 489787894 /nfs/dbraw/zinc/78/78/94/489787894.db2.gz WSHWZHJZBYOZHJ-UHFFFAOYSA-N -1 3 357.204 0.360 10 0 FCAEHM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N[C@H]1CNCCC1(F)F ZINC000563960580 491279718 /nfs/dbraw/zinc/27/97/18/491279718.db2.gz TYJSUXRNPRHMCW-NSHDSACASA-N -1 3 364.356 0.604 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NC[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000492032634 489815565 /nfs/dbraw/zinc/81/55/65/489815565.db2.gz HHICIZAZVCPOJI-JQWIXIFHSA-N -1 3 373.331 0.571 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1C[C@H](CO)OC[C@@H]1C ZINC000492353851 489825544 /nfs/dbraw/zinc/82/55/44/489825544.db2.gz JVROGZNQMUODCZ-SDDRHHMPSA-N -1 3 360.407 0.101 10 0 FCAEHM O=C(CN1CCN2C(=O)[N-]C(=O)[C@H]2C1)Nc1nc(-c2ccccc2)cs1 ZINC000492630948 489832668 /nfs/dbraw/zinc/83/26/68/489832668.db2.gz RKWYIYWDAZOAPW-CYBMUJFWSA-N -1 3 371.422 0.985 10 0 FCAEHM O=C(NCCCNS(=O)(=O)c1cnc2n1CCC2)c1cccc([O-])c1 ZINC000475796072 489849061 /nfs/dbraw/zinc/84/90/61/489849061.db2.gz SEQDSZUGCNKSRK-UHFFFAOYSA-N -1 3 364.427 0.633 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC3(C2)CCCOC3)cn1C ZINC000377149506 489858772 /nfs/dbraw/zinc/85/87/72/489858772.db2.gz LYFLKAJTCZESLU-UHFFFAOYSA-N -1 3 356.448 0.036 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC=C(c3ccnn3C)CC2)cn1 ZINC000377167853 489862386 /nfs/dbraw/zinc/86/23/86/489862386.db2.gz ODCZKNKCEGFVGC-UHFFFAOYSA-N -1 3 361.427 0.653 10 0 FCAEHM C[C@@]1(c2ccc(CNC(=O)NC[C@H](CO)C3CC3)cc2)NC(=O)[N-]C1=O ZINC000460347335 489864668 /nfs/dbraw/zinc/86/46/68/489864668.db2.gz BWKNPVNRDMQTSM-ACJLOTCBSA-N -1 3 360.414 0.559 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCC[C@H](C)[S@](C)=O ZINC000493954401 489864881 /nfs/dbraw/zinc/86/48/81/489864881.db2.gz FDUVDQVBUIXMGE-GANBNBROSA-N -1 3 364.464 0.766 10 0 FCAEHM O=C(C[C@H]1COCCN1C(=O)CN1CC(=O)[N-]C1=O)c1cccs1 ZINC000555926300 491284233 /nfs/dbraw/zinc/28/42/33/491284233.db2.gz YPVAIKYHYGEMFQ-JTQLQIEISA-N -1 3 351.384 0.100 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)NC[C@@]1(CCO)CCOC1 ZINC000476309245 489880143 /nfs/dbraw/zinc/88/01/43/489880143.db2.gz RRBFVCLLBNCPGP-GOSISDBHSA-N -1 3 361.398 0.398 10 0 FCAEHM COC[C@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)[C@@H]1CCCO1 ZINC000433450083 489884384 /nfs/dbraw/zinc/88/43/84/489884384.db2.gz KUXCWNCHSSOMMP-RYUDHWBXSA-N -1 3 363.457 0.562 10 0 FCAEHM COCCOC[C@@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000461034978 489895123 /nfs/dbraw/zinc/89/51/23/489895123.db2.gz YFDNXRYFLSPICW-NEPJUHHUSA-N -1 3 362.423 0.660 10 0 FCAEHM COCC[C@H](COC)NC(=O)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000461267525 489901150 /nfs/dbraw/zinc/90/11/50/489901150.db2.gz UXIMSCMCWUOJDI-GFCCVEGCSA-N -1 3 361.398 0.426 10 0 FCAEHM CN(CC(=O)NC(C)(C)C)C(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000494836916 489916598 /nfs/dbraw/zinc/91/65/98/489916598.db2.gz VYUGBXLDQXQMLH-GOSISDBHSA-N -1 3 360.414 0.728 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC(c3c[nH]cn3)CC2)cn1C ZINC000434286835 489920433 /nfs/dbraw/zinc/92/04/33/489920433.db2.gz HVLHFHZFAOWFHD-UHFFFAOYSA-N -1 3 366.447 0.136 10 0 FCAEHM CN(CC[N-]S(=O)(=O)c1cscn1)S(=O)(=O)c1cccs1 ZINC000564081134 491287441 /nfs/dbraw/zinc/28/74/41/491287441.db2.gz YUVDBYSPPWBLCS-UHFFFAOYSA-N -1 3 367.499 0.804 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)c3ccc(-n4cncn4)nc3)cc2n(C)c1=O ZINC000461632285 489924710 /nfs/dbraw/zinc/92/47/10/489924710.db2.gz RNCUBJRSMJOYEG-UHFFFAOYSA-N -1 3 365.353 0.811 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)Cn3nc4ccccn4c3=O)cc2n(C)c1=O ZINC000461631891 489924764 /nfs/dbraw/zinc/92/47/64/489924764.db2.gz QHCFWDKCEGKZAC-UHFFFAOYSA-N -1 3 368.353 0.031 10 0 FCAEHM COC(=O)[C@H](C[C@@H]1CCCc2ccccc21)NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000461743979 489933052 /nfs/dbraw/zinc/93/30/52/489933052.db2.gz BFYUYKFHXMRKEM-QEJZJMRPSA-N -1 3 373.409 0.753 10 0 FCAEHM COCCCS(=O)(=O)[N-]CC(=O)Nc1cc(C)nn1C1CCOCC1 ZINC000434553367 489933749 /nfs/dbraw/zinc/93/37/49/489933749.db2.gz IJNAWVXTRSLHEI-UHFFFAOYSA-N -1 3 374.463 0.437 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]C[C@H](N1CCOCC1)C(F)(F)F)C1CC1 ZINC000571161412 491289405 /nfs/dbraw/zinc/28/94/05/491289405.db2.gz KDDSAHBFHJWUBA-RYUDHWBXSA-N -1 3 360.398 0.594 10 0 FCAEHM O=C1[N-]C(=O)[C@]2(CCCN(CCCS(=O)(=O)c3ccc(F)cc3)C2)N1 ZINC000434782454 489956827 /nfs/dbraw/zinc/95/68/27/489956827.db2.gz CXANELHQMZJXRS-MRXNPFEDSA-N -1 3 369.418 0.664 10 0 FCAEHM COc1ccc2c(c1)OC[C@H]2CC(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000556082091 491292635 /nfs/dbraw/zinc/29/26/35/491292635.db2.gz PYMLUKMKUHWRGX-ADLMAVQZSA-N -1 3 359.382 0.762 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)CN2CCN(c3ccccn3)CC2)nc1=N ZINC000564189386 491292677 /nfs/dbraw/zinc/29/26/77/491292677.db2.gz UTZNRPPXXJJCSS-CQSZACIVSA-N -1 3 370.461 0.108 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)n[n-]1 ZINC000435713891 490005410 /nfs/dbraw/zinc/00/54/10/490005410.db2.gz HFTLSSFBUWEBDH-UHFFFAOYSA-N -1 3 365.353 0.864 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)[n-]n1 ZINC000435713891 490005415 /nfs/dbraw/zinc/00/54/15/490005415.db2.gz HFTLSSFBUWEBDH-UHFFFAOYSA-N -1 3 365.353 0.864 10 0 FCAEHM CC[C@@H]1NC(=O)N(c2cccc(NC(=O)CN3CC(=O)[N-]C3=O)c2)C1=O ZINC000478120259 490006014 /nfs/dbraw/zinc/00/60/14/490006014.db2.gz PETADDYSJZPQMT-NSHDSACASA-N -1 3 359.342 0.012 10 0 FCAEHM O=C(NC[C@@]1(CCO)CCOC1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436635052 490009816 /nfs/dbraw/zinc/00/98/16/490009816.db2.gz MFALGMGTQACAJX-DNVCBOLYSA-N -1 3 362.426 0.902 10 0 FCAEHM COc1c2cnn(C)c2ncc1C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000436832361 490014192 /nfs/dbraw/zinc/01/41/92/490014192.db2.gz ZYBAEOCPDVXTCD-UHFFFAOYSA-N -1 3 369.381 0.842 10 0 FCAEHM CS(=O)(=O)c1cccnc1C[N-]S(=O)(=O)c1cccc2c1OCC2 ZINC000420737871 490015319 /nfs/dbraw/zinc/01/53/19/490015319.db2.gz YTXVKMVJTSIOQS-UHFFFAOYSA-N -1 3 368.436 0.899 10 0 FCAEHM O=C(NCCCn1cc(CO)nn1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436929852 490016713 /nfs/dbraw/zinc/01/67/13/490016713.db2.gz VGJNPHBNPQEIEW-OAHLLOKOSA-N -1 3 373.413 0.287 10 0 FCAEHM Cc1ccc2c([O-])c(C(=O)N(C)C[C@H](O)CN3CCOCC3)cnc2n1 ZINC000478432279 490019327 /nfs/dbraw/zinc/01/93/27/490019327.db2.gz WPYVZWGOBQQCBP-ZDUSSCGKSA-N -1 3 360.414 0.409 10 0 FCAEHM CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000378186773 490024630 /nfs/dbraw/zinc/02/46/30/490024630.db2.gz YUZAMHDAZRMKHJ-KRWDZBQOSA-N -1 3 368.437 0.907 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC[C@H](O)COCC1CC1 ZINC000478736058 490034503 /nfs/dbraw/zinc/03/45/03/490034503.db2.gz RZXVYYRUIPJBHM-AAEUAGOBSA-N -1 3 374.434 0.396 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000378273228 490037654 /nfs/dbraw/zinc/03/76/54/490037654.db2.gz AJRFMLBWDPBFBN-LBPRGKRZSA-N -1 3 370.369 0.436 10 0 FCAEHM C[C@@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)[C@H]1COc2ccccc21 ZINC000378283627 490039439 /nfs/dbraw/zinc/03/94/39/490039439.db2.gz ZWBKZFVLNDXVFG-DGCLKSJQSA-N -1 3 364.427 0.379 10 0 FCAEHM CCOC(=O)c1sc([C@H](C)NC(=O)c2cn(C)c(=O)[n-]c2=O)nc1C ZINC000465150085 490087826 /nfs/dbraw/zinc/08/78/26/490087826.db2.gz VPBSZAXYQHKVDA-QMMMGPOBSA-N -1 3 366.399 0.919 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2c(C(=O)N3CCN(C4CC4)CC3)cc(C3CC3)nc21 ZINC000520066737 490110102 /nfs/dbraw/zinc/11/01/02/490110102.db2.gz LFBUVHIQJDPNPS-UHFFFAOYSA-N -1 3 369.425 0.832 10 0 FCAEHM Cn1cc(-c2nn(C)cc2C(=O)Nc2cc(-c3nccn3C)[n-]n2)cn1 ZINC000444735697 490113349 /nfs/dbraw/zinc/11/33/49/490113349.db2.gz NXUOOSHSUJUZLG-UHFFFAOYSA-N -1 3 351.374 1.197 10 0 FCAEHM Cn1cc(-c2nn(C)cc2C(=O)Nc2cc(-c3nccn3C)n[n-]2)cn1 ZINC000444735697 490113357 /nfs/dbraw/zinc/11/33/57/490113357.db2.gz NXUOOSHSUJUZLG-UHFFFAOYSA-N -1 3 351.374 1.197 10 0 FCAEHM C[C@@H]1CCCN1S(=O)(=O)Nc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000545313659 490115971 /nfs/dbraw/zinc/11/59/71/490115971.db2.gz WRJJBDUEEVEJQK-BMIGLBTASA-N -1 3 352.416 0.882 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C2CCC(C(N)=O)CC2)cc1F ZINC000445056826 490122972 /nfs/dbraw/zinc/12/29/72/490122972.db2.gz SBBVVHBLCPELCQ-UHFFFAOYSA-N -1 3 358.391 0.935 10 0 FCAEHM CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000506688741 490127400 /nfs/dbraw/zinc/12/74/00/490127400.db2.gz OPPJCPWERXXOMB-GWCFXTLKSA-N -1 3 365.411 0.018 10 0 FCAEHM CCNC(=O)c1cc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)nc2ccccc21 ZINC000496932861 490129267 /nfs/dbraw/zinc/12/92/67/490129267.db2.gz NPFJYXBEROIVJE-LBPRGKRZSA-N -1 3 355.354 0.521 10 0 FCAEHM COc1cccc(F)c1[C@H](C)NC(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000545411833 490132287 /nfs/dbraw/zinc/13/22/87/490132287.db2.gz WXTKRVDHRWOUKE-ONGXEEELSA-N -1 3 350.350 0.841 10 0 FCAEHM CON1CCC(NC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)CC1 ZINC000422046960 490132755 /nfs/dbraw/zinc/13/27/55/490132755.db2.gz MYWHMVDWVQBIFG-NSHDSACASA-N -1 3 359.423 0.635 10 0 FCAEHM O=C(N[C@H](c1ccccc1)[C@H]1CCOC1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000545434812 490135187 /nfs/dbraw/zinc/13/51/87/490135187.db2.gz QAQBKKWYEBOSMV-RRFJBIMHSA-N -1 3 358.398 0.710 10 0 FCAEHM C[C@@]1(c2cccc(C(=O)N3CCCC[C@H]3CC(N)=O)c2)NC(=O)[N-]C1=O ZINC000497327794 490147389 /nfs/dbraw/zinc/14/73/89/490147389.db2.gz UIYSSLBQVLWGFQ-UGSOOPFHSA-N -1 3 358.398 0.611 10 0 FCAEHM O=C1[N-]C(=O)[C@H](Cc2nc(-c3ccnc(OCC(F)(F)F)c3)no2)N1 ZINC000545660691 490151320 /nfs/dbraw/zinc/15/13/20/490151320.db2.gz WIHIGAZANQUUII-ZETCQYMHSA-N -1 3 357.248 0.823 10 0 FCAEHM CCOc1ccc(S(=O)(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1C ZINC000392732282 490155665 /nfs/dbraw/zinc/15/56/65/490155665.db2.gz MBAQXNHXHDPWAL-MRXNPFEDSA-N -1 3 367.427 0.756 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@]2(O)CCN(C)C2)c(Cl)c1 ZINC000545865794 490158489 /nfs/dbraw/zinc/15/84/89/490158489.db2.gz XLMQSKOUARWGAZ-CQSZACIVSA-N -1 3 362.835 0.472 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CCOc1ncccc1F ZINC000446927125 490172526 /nfs/dbraw/zinc/17/25/26/490172526.db2.gz FNGAWXRTTHFSKH-UHFFFAOYSA-N -1 3 374.415 0.982 10 0 FCAEHM COC[C@@H](NC(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1)c1ccc(F)cc1 ZINC000546142874 490196802 /nfs/dbraw/zinc/19/68/02/490196802.db2.gz PSDXXQMVBJWUQV-CHWSQXEVSA-N -1 3 350.350 0.459 10 0 FCAEHM O=C(c1c[n-]c2ccccc2c1=O)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000408052633 490230512 /nfs/dbraw/zinc/23/05/12/490230512.db2.gz LQVQDUHKIGDZKD-WBMJQRKESA-N -1 3 373.384 0.940 10 0 FCAEHM CNC(=O)[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000497933769 490234693 /nfs/dbraw/zinc/23/46/93/490234693.db2.gz GINOBEXXGKFZGI-WDEREUQCSA-N -1 3 360.457 0.283 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC[C@@H]([C@H]3CCOC3)C2)cn1C ZINC000533503684 490246142 /nfs/dbraw/zinc/24/61/42/490246142.db2.gz CVLLZZIPVPHCHJ-KGLIPLIRSA-N -1 3 370.475 0.282 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCN(C[C@@H](O)COC[C@H]2CCCO2)CC1 ZINC000533525941 490248538 /nfs/dbraw/zinc/24/85/38/490248538.db2.gz HTJNXMUBKPWLSF-HZPDHXFCSA-N -1 3 364.442 0.707 10 0 FCAEHM Cc1cccc2[nH]cc(CCNC(=O)N3CCN4C(=O)[N-]C(=O)[C@H]4C3)c21 ZINC000546848009 490251719 /nfs/dbraw/zinc/25/17/19/490251719.db2.gz KVWXSKQYIFZQLE-CQSZACIVSA-N -1 3 355.398 0.964 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)NCC[C@@H](C)[S@](C)=O)s1 ZINC000482939723 490264690 /nfs/dbraw/zinc/26/46/90/490264690.db2.gz AWBOJAGECUQNBR-BTKVJGODSA-N -1 3 367.518 0.613 10 0 FCAEHM Cc1cccc([C@@H](CC(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)NC(N)=O)c1 ZINC000447760720 490270380 /nfs/dbraw/zinc/27/03/80/490270380.db2.gz PDVTWUPAMQFTMS-FZKQIMNGSA-N -1 3 373.413 0.295 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCc2nc([C@H]3CCO[C@@H](C)C3)no2)cn1C ZINC000547218005 490271363 /nfs/dbraw/zinc/27/13/63/490271363.db2.gz CWIQUHJZIOREGF-JQWIXIFHSA-N -1 3 369.447 0.915 10 0 FCAEHM CNS(=O)(=O)c1cc(NC(=O)c2cc(=O)[n-]c(N(C)C)n2)ccc1C ZINC000547326370 490279125 /nfs/dbraw/zinc/27/91/25/490279125.db2.gz KXNGZFUXRHDLKY-UHFFFAOYSA-N -1 3 365.415 0.717 10 0 FCAEHM COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2cc(=O)[n-]c(N(C)C)n2)C1 ZINC000547325714 490279650 /nfs/dbraw/zinc/27/96/50/490279650.db2.gz WACGZSMAKAPBIT-NEPJUHHUSA-N -1 3 365.434 0.252 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-]CC(=O)N2CCCc3ccccc32)[C@@H](C)CO1 ZINC000408237517 490282123 /nfs/dbraw/zinc/28/21/23/490282123.db2.gz OKQABQVENJWUGM-UONOGXRCSA-N -1 3 367.471 0.909 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNS(=O)(=O)c2ccccc2N)s1 ZINC000467396609 490288516 /nfs/dbraw/zinc/28/85/16/490288516.db2.gz KQRGSRFHNAUWHR-UHFFFAOYSA-N -1 3 361.470 0.717 10 0 FCAEHM Cc1ccc2c(n1)[n-]cc(C(=O)NC1CCN(CC(=O)N(C)C)CC1)c2=O ZINC000521905020 490309923 /nfs/dbraw/zinc/30/99/23/490309923.db2.gz QKFJEDXFYSCLCS-UHFFFAOYSA-N -1 3 371.441 0.926 10 0 FCAEHM Cc1ccc2c([O-])c(C(=O)NC3CCN(CC(=O)N(C)C)CC3)cnc2n1 ZINC000521905020 490309933 /nfs/dbraw/zinc/30/99/33/490309933.db2.gz QKFJEDXFYSCLCS-UHFFFAOYSA-N -1 3 371.441 0.926 10 0 FCAEHM COC(=O)[C@@H](CC(F)F)[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000534163278 490327532 /nfs/dbraw/zinc/32/75/32/490327532.db2.gz HXCJZYARLLQIPS-MRVPVSSYSA-N -1 3 371.383 0.565 10 0 FCAEHM CCOC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)CN1CC(=O)[N-]C1=O ZINC000467680130 490328962 /nfs/dbraw/zinc/32/89/62/490328962.db2.gz HDSWXPNPCNJQIB-LBPRGKRZSA-N -1 3 367.789 0.482 10 0 FCAEHM O=C(Cn1cc(I)c(=O)[n-]c1=O)[C@@H]1CCCOC1 ZINC000522014537 490328984 /nfs/dbraw/zinc/32/89/84/490328984.db2.gz ODPSSJPOEXCXSV-SSDOTTSWSA-N -1 3 364.139 0.549 10 0 FCAEHM NC(=O)N1CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000408409596 490329788 /nfs/dbraw/zinc/32/97/88/490329788.db2.gz ACRRTVDGWCNBCW-CQSZACIVSA-N -1 3 360.414 0.610 10 0 FCAEHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@@H](O)C2(CC2)C1 ZINC000547642844 490333984 /nfs/dbraw/zinc/33/39/84/490333984.db2.gz WCUKTZDTULZBFJ-CYBMUJFWSA-N -1 3 360.457 0.130 10 0 FCAEHM CN(Cc1cc[nH]n1)C(=O)NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000483672500 490336413 /nfs/dbraw/zinc/33/64/13/490336413.db2.gz PPSNFOGMRMHZRS-QGZVFWFLSA-N -1 3 356.386 0.806 10 0 FCAEHM C[C@]1(c2cccc(C(=O)N3CCSC[C@@H]3CCO)c2)NC(=O)[N-]C1=O ZINC000534343379 490357318 /nfs/dbraw/zinc/35/73/18/490357318.db2.gz DWGOWOGDQMOEBC-SUMWQHHRSA-N -1 3 363.439 0.681 10 0 FCAEHM CC(=O)N1CCN(C(=O)Nc2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)[C@H](C)C1 ZINC000547831298 490365135 /nfs/dbraw/zinc/36/51/35/490365135.db2.gz OLYLWZHYCSSREH-ABAIWWIYSA-N -1 3 373.413 0.522 10 0 FCAEHM O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000411103171 490388559 /nfs/dbraw/zinc/38/85/59/490388559.db2.gz GCKOHPVPIWXHPQ-PHIMTYICSA-N -1 3 374.401 0.201 10 0 FCAEHM O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000411103171 490388567 /nfs/dbraw/zinc/38/85/67/490388567.db2.gz GCKOHPVPIWXHPQ-PHIMTYICSA-N -1 3 374.401 0.201 10 0 FCAEHM O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000411103171 490388573 /nfs/dbraw/zinc/38/85/73/490388573.db2.gz GCKOHPVPIWXHPQ-PHIMTYICSA-N -1 3 374.401 0.201 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@@H](c2cccnc2)C2CC2)cn1C ZINC000534739186 490403776 /nfs/dbraw/zinc/40/37/76/490403776.db2.gz IXOIGMLFVRZQQI-MRXNPFEDSA-N -1 3 363.443 0.669 10 0 FCAEHM Cn1cc(C[C@H](O)C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)cn1 ZINC000468531457 490411527 /nfs/dbraw/zinc/41/15/27/490411527.db2.gz ULTPVTVGRXUTEH-KRWDZBQOSA-N -1 3 372.425 0.906 10 0 FCAEHM C[C@@H]1C[C@H]1N1C[C@H](NC(=O)C(=O)[N-]c2nccn2-c2ccccc2)CC1=O ZINC000411292236 490423488 /nfs/dbraw/zinc/42/34/88/490423488.db2.gz JYXJLXCPVNCPFO-UMVBOHGHSA-N -1 3 367.409 0.936 10 0 FCAEHM O=C(c1cccc(COC2CCOCC2)c1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000535012626 490436678 /nfs/dbraw/zinc/43/66/78/490436678.db2.gz JSTZBJCMAREIPD-INIZCTEOSA-N -1 3 373.409 0.758 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000535011548 490436967 /nfs/dbraw/zinc/43/69/67/490436967.db2.gz KFCSCRXGECDYRS-ZDUSSCGKSA-N -1 3 362.361 0.098 10 0 FCAEHM O=C(c1cccc(COC2CCOCC2)c1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000535012627 490437629 /nfs/dbraw/zinc/43/76/29/490437629.db2.gz JSTZBJCMAREIPD-MRXNPFEDSA-N -1 3 373.409 0.758 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N2C[C@H](C)[C@H]2C)s1 ZINC000509639431 490447387 /nfs/dbraw/zinc/44/73/87/490447387.db2.gz UXJYONIZTSTOJL-VHSXEESVSA-N -1 3 359.473 0.529 10 0 FCAEHM CCCc1nc(=NC(=O)C(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)s[n-]1 ZINC000411417789 490454133 /nfs/dbraw/zinc/45/41/33/490454133.db2.gz FDCIZANBUBZYDD-VXGBXAGGSA-N -1 3 351.476 0.794 10 0 FCAEHM CCOC(=O)CC1(NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)CCCC1 ZINC000468978651 490472986 /nfs/dbraw/zinc/47/29/86/490472986.db2.gz OZMNOWXPAIHEAQ-UHFFFAOYSA-N -1 3 372.447 0.081 10 0 FCAEHM CNC(=O)COc1ccc(NC(=O)C(=O)NCc2ncccc2[O-])c(C)c1 ZINC000484851164 490472895 /nfs/dbraw/zinc/47/28/95/490472895.db2.gz PJPMXATXWNIBOJ-UHFFFAOYSA-N -1 3 372.381 0.475 10 0 FCAEHM Cc1cc(C)n(CC(=O)NCc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)n1 ZINC000523555307 490473344 /nfs/dbraw/zinc/47/33/44/490473344.db2.gz ZWWKBIFMOXQUBW-GOSISDBHSA-N -1 3 355.398 0.871 10 0 FCAEHM COc1ccc(-n2cc(C[N-]S(=O)(=O)c3cnc4n3CCC4)nn2)cc1 ZINC000548450328 490487096 /nfs/dbraw/zinc/48/70/96/490487096.db2.gz BPCBOXAJNCOQEE-UHFFFAOYSA-N -1 3 374.426 0.897 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2CC(=O)NC[C@@H]2COc3ccccc3O2)nc1=N ZINC000450905688 490497761 /nfs/dbraw/zinc/49/77/61/490497761.db2.gz PPYGAJNXBMGKST-OLZOCXBDSA-N -1 3 372.429 0.321 10 0 FCAEHM COC(=O)c1ncccc1S(=O)(=O)[N-]C[C@H]1COc2ccccc2O1 ZINC000450970396 490503553 /nfs/dbraw/zinc/50/35/53/490503553.db2.gz NICMSYOCKBDIQX-NSHDSACASA-N -1 3 364.379 0.987 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)C2(S(C)(=O)=O)CC2)c(C)o1 ZINC000510524644 490524062 /nfs/dbraw/zinc/52/40/62/490524062.db2.gz YGADSEPVVZWLSJ-VIFPVBQESA-N -1 3 365.429 0.619 10 0 FCAEHM CN(C)S(=O)(=O)c1ccccc1C[N-]S(=O)(=O)c1cscn1 ZINC000564904576 491334814 /nfs/dbraw/zinc/33/48/14/491334814.db2.gz GESUNCJYYLVNHJ-UHFFFAOYSA-N -1 3 361.470 0.872 10 0 FCAEHM CCNC(=O)CNC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000511121797 490564899 /nfs/dbraw/zinc/56/48/99/490564899.db2.gz PCRYQSPIVDJABT-UHFFFAOYSA-N -1 3 371.440 0.686 10 0 FCAEHM CCOC(=O)C(C)(C)n1cc(NC(=O)c2cc(=O)[n-]c(N(C)C)n2)cn1 ZINC000549316979 490574754 /nfs/dbraw/zinc/57/47/54/490574754.db2.gz UFZMZCZZPZTYEI-UHFFFAOYSA-N -1 3 362.390 0.995 10 0 FCAEHM O=C(CNC(=O)C[C@@H]1NC(=O)[N-]C1=O)Nc1cc(Cl)ccc1Cl ZINC000485946709 490575413 /nfs/dbraw/zinc/57/54/13/490575413.db2.gz WJDHJKLVEHTJRZ-VIFPVBQESA-N -1 3 359.169 0.646 10 0 FCAEHM CN(C)c1nc(C(=O)N2CCN(c3cccc(F)c3)C(=O)C2)cc(=O)[n-]1 ZINC000549320646 490575664 /nfs/dbraw/zinc/57/56/64/490575664.db2.gz CLSINTNBQFUHOI-UHFFFAOYSA-N -1 3 359.361 0.876 10 0 FCAEHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@]1(C(=O)OC)CCOC1 ZINC000486006595 490581666 /nfs/dbraw/zinc/58/16/66/490581666.db2.gz XYVYWSISTLNOPO-CQSZACIVSA-N -1 3 361.372 0.239 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N(C)Cc2ccc(F)cc2)cn1C ZINC000511599676 490605620 /nfs/dbraw/zinc/60/56/20/490605620.db2.gz PIOKTQBOLOLJRM-UHFFFAOYSA-N -1 3 354.407 0.805 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)NCCc2ccccc2O)cn1C ZINC000511904068 490636180 /nfs/dbraw/zinc/63/61/80/490636180.db2.gz LKRAOCSHJCWJIP-UHFFFAOYSA-N -1 3 366.443 0.461 10 0 FCAEHM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCCN(C)C3)C[C@@H]1C(=O)[O-] ZINC000564976720 491342502 /nfs/dbraw/zinc/34/25/02/491342502.db2.gz UTRDFTFFMGXKOG-QWQRMKEZSA-N -1 3 351.447 0.500 10 0 FCAEHM Cc1ccn(-c2ccccc2NC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)n1 ZINC000537612124 490685812 /nfs/dbraw/zinc/68/58/12/490685812.db2.gz JMZISKYTGWLVBU-AWEZNQCLSA-N -1 3 354.370 0.949 10 0 FCAEHM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000526999879 490690760 /nfs/dbraw/zinc/69/07/60/490690760.db2.gz CBUKPNPDBTXSPM-LBPRGKRZSA-N -1 3 373.331 0.878 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](O)CS(=O)(=O)c2cccs2)o1 ZINC000538012174 490704947 /nfs/dbraw/zinc/70/49/47/490704947.db2.gz MWTIPRZPKCACFD-SNVBAGLBSA-N -1 3 365.454 0.763 10 0 FCAEHM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)C[N-]S(=O)(=O)c2ccccc2F)CC1=O ZINC000572084655 491347958 /nfs/dbraw/zinc/34/79/58/491347958.db2.gz WQGUZIYEPJKALM-MDZLAQPJSA-N -1 3 369.418 0.230 10 0 FCAEHM CCOC(=O)[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000487380877 490709913 /nfs/dbraw/zinc/70/99/13/490709913.db2.gz STHVIIDEHWFXIF-IUCAKERBSA-N -1 3 363.823 0.470 10 0 FCAEHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]C2CCC(C(N)=O)CC2)s1 ZINC000502664790 490714920 /nfs/dbraw/zinc/71/49/20/490714920.db2.gz DPHSYZYUVBJCPI-UHFFFAOYSA-N -1 3 373.500 0.749 10 0 FCAEHM C[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)C1(S(C)(=O)=O)CC1 ZINC000513547649 490737626 /nfs/dbraw/zinc/73/76/26/490737626.db2.gz FASSSQWVPMCVSM-MRVPVSSYSA-N -1 3 351.384 0.657 10 0 FCAEHM Cc1cc(COCC(=O)Nc2ccc(C[C@H]3NC(=O)[N-]C3=O)cc2)on1 ZINC000513631749 490741194 /nfs/dbraw/zinc/74/11/94/490741194.db2.gz GTSHVHLJOYOMLP-CQSZACIVSA-N -1 3 358.354 0.889 10 0 FCAEHM COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)c1cn(C)c(=O)[n-]c1=O ZINC000503394003 490753960 /nfs/dbraw/zinc/75/39/60/490753960.db2.gz HLVQZKLDIHKGTE-GFCCVEGCSA-N -1 3 359.382 0.937 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1cnc(N(C)C)nc1 ZINC000503653888 490769035 /nfs/dbraw/zinc/76/90/35/490769035.db2.gz UEQIYLKGSNIDPF-SECBINFHSA-N -1 3 355.445 0.910 10 0 FCAEHM COCc1ccccc1CS(=O)(=O)[N-][C@@]1(CC(=O)OC)CCOC1 ZINC000565106005 491354058 /nfs/dbraw/zinc/35/40/58/491354058.db2.gz WPZIFIUAFGSMPF-MRXNPFEDSA-N -1 3 357.428 0.975 10 0 FCAEHM CC1(C)NC(=O)N(CC(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)C1=O ZINC000504013079 490785169 /nfs/dbraw/zinc/78/51/69/490785169.db2.gz FTDXWIGQGOFEHT-UHFFFAOYSA-N -1 3 372.378 0.466 10 0 FCAEHM COC(=O)CC1(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000514792641 490788728 /nfs/dbraw/zinc/78/87/28/490788728.db2.gz FJSFMRNLIZXQTO-UHFFFAOYSA-N -1 3 366.848 0.892 10 0 FCAEHM COC(=O)[C@H](CF)NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000514884619 490795393 /nfs/dbraw/zinc/79/53/93/490795393.db2.gz LXFSGBIBLOMQOA-ZDUSSCGKSA-N -1 3 362.361 0.700 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-][C@H]1CCC(=O)N(C)C1=O)c1ccc(F)cc1 ZINC000528421282 490797012 /nfs/dbraw/zinc/79/70/12/490797012.db2.gz FAZHDSNYALMTHT-STQMWFEESA-N -1 3 358.391 0.580 10 0 FCAEHM CCN(CC)CCS(=O)(=O)[N-][C@H](C(=O)OC)[C@@H]1CCC[C@@H](OC)C1 ZINC000514944799 490799681 /nfs/dbraw/zinc/79/96/81/490799681.db2.gz QMKUIBPEJNRRQX-KFWWJZLASA-N -1 3 364.508 0.994 10 0 FCAEHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000504399255 490798405 /nfs/dbraw/zinc/79/84/05/490798405.db2.gz OXVYCKDAYPYZRX-UHFFFAOYSA-N -1 3 351.384 0.306 10 0 FCAEHM O=S(=O)([N-]C[C@@H](n1cccn1)C(F)(F)F)c1cnn2c1OCCC2 ZINC000528453157 490798974 /nfs/dbraw/zinc/79/89/74/490798974.db2.gz RDCZGMQRSRBEOM-SNVBAGLBSA-N -1 3 365.337 0.944 10 0 FCAEHM CCN(CC)CCS(=O)(=O)[N-][C@H](C(=O)OC)[C@H]1CCC[C@H](OC)C1 ZINC000514944803 490799923 /nfs/dbraw/zinc/79/99/23/490799923.db2.gz QMKUIBPEJNRRQX-KKUMJFAQSA-N -1 3 364.508 0.994 10 0 FCAEHM CN1C2(CCC2)COC[C@]1(CO)C[N-]S(=O)(=O)c1cncc(F)c1 ZINC000528481857 490801902 /nfs/dbraw/zinc/80/19/02/490801902.db2.gz TYGZFTZFKYLWQF-OAHLLOKOSA-N -1 3 359.423 0.115 10 0 FCAEHM O=S(=O)([N-]C[C@H](O)[C@H]1CCCO1)c1cccnc1OCC(F)F ZINC000528485842 490803150 /nfs/dbraw/zinc/80/31/50/490803150.db2.gz KLTILKLDGILHTF-VHSXEESVSA-N -1 3 352.359 0.544 10 0 FCAEHM Cc1nn2cc(S(=O)(=O)[N-]C[C@H](O)[C@H]3CCCO3)cnc2c1Cl ZINC000528494436 490803692 /nfs/dbraw/zinc/80/36/92/490803692.db2.gz XJMAVZCNIIHKMD-WDEREUQCSA-N -1 3 360.823 0.509 10 0 FCAEHM CS(=O)(=O)N[C@H]1CCN(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000528592652 490810694 /nfs/dbraw/zinc/81/06/94/490810694.db2.gz KRMLXLTXLGFSKK-JTQLQIEISA-N -1 3 363.233 0.918 10 0 FCAEHM CCOC(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)NC)c2)n[n-]1 ZINC000540845730 490836546 /nfs/dbraw/zinc/83/65/46/490836546.db2.gz IJZMAUIZAZXBQT-UHFFFAOYSA-N -1 3 352.372 0.747 10 0 FCAEHM CCOC(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)NC)c2)[n-]n1 ZINC000540845730 490836548 /nfs/dbraw/zinc/83/65/48/490836548.db2.gz IJZMAUIZAZXBQT-UHFFFAOYSA-N -1 3 352.372 0.747 10 0 FCAEHM CO[C@@H](CS(=O)(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)C1CC1 ZINC000516283824 490859329 /nfs/dbraw/zinc/85/93/29/490859329.db2.gz LLOWTDWUOVSELK-INIZCTEOSA-N -1 3 368.455 0.905 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)NCC(C)(C)C(=O)N2CCCC2)cn1 ZINC000530085673 490887744 /nfs/dbraw/zinc/88/77/44/490887744.db2.gz SLQALWQGVXPNFC-UHFFFAOYSA-N -1 3 368.459 0.368 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-][C@@H](C2CCOCC2)C2(CO)CCC2)cn1C ZINC000516966162 490887927 /nfs/dbraw/zinc/88/79/27/490887927.db2.gz DKXRRYZDOVTLEC-HNNXBMFYSA-N -1 3 357.476 0.965 10 0 FCAEHM COC(=O)c1ncccc1S(=O)(=O)[N-][C@@H](CO)C[C@@H](O)C(C)(C)C ZINC000517247728 490901558 /nfs/dbraw/zinc/90/15/58/490901558.db2.gz RJZVIAXMADPVFD-ZYHUDNBSSA-N -1 3 360.432 0.305 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@]2(CCO)CCOC2)c(F)c1 ZINC000530380138 490902795 /nfs/dbraw/zinc/90/27/95/490902795.db2.gz GLZJGBGKVGSVCI-OAHLLOKOSA-N -1 3 361.391 0.680 10 0 FCAEHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(N)=O)C2)c1 ZINC000542977444 490917284 /nfs/dbraw/zinc/91/72/84/490917284.db2.gz GDNIAUWVDHELEH-JOYOIKCWSA-N -1 3 358.391 0.935 10 0 FCAEHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]CCCn2ccnn2)cc1F ZINC000543169969 490924198 /nfs/dbraw/zinc/92/41/98/490924198.db2.gz CCCQRPVBIDFLNV-UHFFFAOYSA-N -1 3 362.408 0.189 10 0 FCAEHM C[C@]1(c2ccc(CNC(=O)[C@H](O)C3CCOCC3)cc2)NC(=O)[N-]C1=O ZINC000531296235 490950953 /nfs/dbraw/zinc/95/09/53/490950953.db2.gz OXORJVWOBLLBBR-RDTXWAMCSA-N -1 3 361.398 0.145 10 0 FCAEHM CCOC(=O)[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000544183421 490960734 /nfs/dbraw/zinc/96/07/34/490960734.db2.gz GSHZDEMHPNOABL-QWRGUYRKSA-N -1 3 363.457 0.956 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)Nc1cccc(N2CCOCC2)c1 ZINC000531558924 490964176 /nfs/dbraw/zinc/96/41/76/490964176.db2.gz WQVGTRZHFPSYIK-UHFFFAOYSA-N -1 3 371.459 0.418 10 0 FCAEHM C[C@H](Cc1ccc(O)cc1)N(C)C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000531767752 490973275 /nfs/dbraw/zinc/97/32/75/490973275.db2.gz HEVGYQWVHFDZTJ-GFCCVEGCSA-N -1 3 366.443 0.494 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)s1 ZINC000532591802 490994721 /nfs/dbraw/zinc/99/47/21/490994721.db2.gz LHDDNATVCOXHJI-ZJUUUORDSA-N -1 3 374.488 0.500 10 0 FCAEHM C[C@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1)N1CCC(C)CC1 ZINC000572643099 491384213 /nfs/dbraw/zinc/38/42/13/491384213.db2.gz JLYQUELNKKJDLQ-RBSFLKMASA-N -1 3 353.463 0.792 10 0 FCAEHM COc1ccc2c(c1)[n-]cc(C(=O)N(C)CC(=O)N1CCNCC1)c2=O ZINC000565771861 491398395 /nfs/dbraw/zinc/39/83/95/491398395.db2.gz NMLMOLSNVNWLHD-UHFFFAOYSA-N -1 3 358.398 0.041 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)Nc2nc3cc(F)ccc3[nH]2)c1 ZINC000572926919 491402192 /nfs/dbraw/zinc/40/21/92/491402192.db2.gz VATADKRGKGFIJA-UHFFFAOYSA-N -1 3 352.351 0.353 10 0 FCAEHM NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)C[N-]S(=O)(=O)c1ccccc1F ZINC000565981927 491410776 /nfs/dbraw/zinc/41/07/76/491410776.db2.gz VOZOZXJRFNGRSL-YPMHNXCESA-N -1 3 371.434 0.654 10 0 FCAEHM CC(=O)N1CC[C@@H](CNC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)C1 ZINC000558413041 491429345 /nfs/dbraw/zinc/42/93/45/491429345.db2.gz ZKRORTMGKVCVHF-ZDUSSCGKSA-N -1 3 358.398 0.477 10 0 FCAEHM Cn1nccc1[C@@H](CO)[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000566493755 491448533 /nfs/dbraw/zinc/44/85/33/491448533.db2.gz WVDITNMVBZWFCS-SSDOTTSWSA-N -1 3 350.194 0.788 10 0 FCAEHM Cc1cccc([C@H](CC(=O)N2CCC[C@H]2c2nc(=N)n(C)[n-]2)NC(N)=O)c1 ZINC000573731446 491451808 /nfs/dbraw/zinc/45/18/08/491451808.db2.gz FOVOJEWDLPJASP-KBPBESRZSA-N -1 3 371.445 0.999 10 0 FCAEHM O=C1[C@@H]([N-]S(=O)(=O)CC[C@@H]2CCOC2)CCCN1c1cccnc1 ZINC000559070746 491453994 /nfs/dbraw/zinc/45/39/94/491453994.db2.gz CNLLHKJEBXUMOC-ZFWWWQNUSA-N -1 3 353.444 0.923 10 0 FCAEHM O=C1[C@H]([N-]S(=O)(=O)CC[C@H]2CCOC2)CCCN1c1cccnc1 ZINC000559070744 491454027 /nfs/dbraw/zinc/45/40/27/491454027.db2.gz CNLLHKJEBXUMOC-UKRRQHHQSA-N -1 3 353.444 0.923 10 0 FCAEHM C[C@H](C(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1)n1nnc(-c2ccccc2)n1 ZINC000559252771 491458175 /nfs/dbraw/zinc/45/81/75/491458175.db2.gz MBAUMOLXDPEFHU-YPMHNXCESA-N -1 3 367.417 0.806 10 0 FCAEHM CS(=O)(=O)N1CCCC[C@H]1CNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000566982857 491478996 /nfs/dbraw/zinc/47/89/96/491478996.db2.gz OOSQRTJBTSDEHQ-NSHDSACASA-N -1 3 354.432 0.604 10 0 FCAEHM CO[C@H](CS(=O)(=O)N1CCC[C@H]1C[C@]1(C)NC(=O)[N-]C1=O)C1CC1 ZINC000574752606 491518062 /nfs/dbraw/zinc/51/80/62/491518062.db2.gz LYVHIALWEHJYOD-ZOWXZIJZSA-N -1 3 359.448 0.194 10 0 FCAEHM NC(=O)[C@@H]1CC[C@H](CNC(=O)Cc2ccc(Br)cc2[O-])O1 ZINC000560286417 491527974 /nfs/dbraw/zinc/52/79/74/491527974.db2.gz LENBZBYMNUBGMP-PWSUYJOCSA-N -1 3 357.204 0.846 10 0 FCAEHM COCC1(CCNC(=O)N2CCC[C@@H]2C[C@@]2(C)NC(=O)[N-]C2=O)CC1 ZINC000567765930 491528288 /nfs/dbraw/zinc/52/82/88/491528288.db2.gz DQXQUOHQNWDDNJ-MLGOLLRUSA-N -1 3 352.435 0.965 10 0 FCAEHM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC[C@@H]1CCCCN1CCO ZINC000575003746 491533136 /nfs/dbraw/zinc/53/31/36/491533136.db2.gz PHERBGSYCCIXSW-AWEZNQCLSA-N -1 3 361.446 0.557 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)Cn2cc(Br)cn2)nc1=N ZINC000575753947 491558720 /nfs/dbraw/zinc/55/87/20/491558720.db2.gz CIFZNEIAVWWLDI-SECBINFHSA-N -1 3 354.212 0.550 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-][C@@H](C)C2(S(C)(=O)=O)CC2)CCCC1 ZINC000575219872 491546335 /nfs/dbraw/zinc/54/63/35/491546335.db2.gz OPKJEOPXOISEKE-NSHDSACASA-N -1 3 367.489 0.605 10 0 FCAEHM CCOC(=O)[C@@H]([N-]S(=O)(=O)CCN(CC)CC)[C@H]1CCCOC1 ZINC000568010306 491547131 /nfs/dbraw/zinc/54/71/31/491547131.db2.gz AFEXRTIEZUSSMG-KBPBESRZSA-N -1 3 350.481 0.606 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)NC[C@@H]2CCO[C@H](C(C)C)C2)cn1C ZINC000575755079 491558769 /nfs/dbraw/zinc/55/87/69/491558769.db2.gz RXKBBOCQVGTYPV-KGLIPLIRSA-N -1 3 372.491 0.574 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)Cn2c3ccccc3n(C)c2=O)nc1=N ZINC000568327315 491569708 /nfs/dbraw/zinc/56/97/08/491569708.db2.gz VMORWWPDEAUYMN-CYBMUJFWSA-N -1 3 355.402 0.245 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)N1CCO[C@@H](C(=O)C2CC2)C1 ZINC000576080159 491580411 /nfs/dbraw/zinc/58/04/11/491580411.db2.gz QRQKMLYPTNLAQS-CYBMUJFWSA-N -1 3 370.402 0.311 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCOCC23CCCCC3)c1 ZINC000576203915 491591684 /nfs/dbraw/zinc/59/16/84/491591684.db2.gz QGNQYOICTNQAJS-UHFFFAOYSA-N -1 3 356.448 0.260 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)[C@H]3CCc4nnnn4CC3)cc2n(C)c1=O ZINC000584474205 491594917 /nfs/dbraw/zinc/59/49/17/491594917.db2.gz HVSNARDNQGPMIF-VIFPVBQESA-N -1 3 357.374 0.160 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccccc2F)[C@@H](C)O)cn1 ZINC000576353903 491607535 /nfs/dbraw/zinc/60/75/35/491607535.db2.gz JVOVAYSXPDOSAL-MEBBXXQBSA-N -1 3 367.402 0.981 10 0 FCAEHM C[C@H]1CCN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000576876070 491653320 /nfs/dbraw/zinc/65/33/20/491653320.db2.gz PEJPEDHDHOKIGR-KBPBESRZSA-N -1 3 353.463 0.936 10 0 FCAEHM CCc1cnc(CCNC(=O)C[N-]S(=O)(=O)c2c(C)noc2C)s1 ZINC000562147277 491654918 /nfs/dbraw/zinc/65/49/18/491654918.db2.gz DDBFLZMUGWESKP-UHFFFAOYSA-N -1 3 372.472 0.948 10 0 FCAEHM Cn1c(=O)n(C)c2cc(NC(=O)c3cn(CC4(C)COC4)nn3)c([O-])cc21 ZINC000562271175 491663690 /nfs/dbraw/zinc/66/36/90/491663690.db2.gz QMVWVGHBROTFBH-UHFFFAOYSA-N -1 3 372.385 0.463 10 0 FCAEHM O=S(=O)([N-][C@H]1CCc2nnnn2CC1)c1cccnc1C(F)(F)F ZINC000584773506 491713622 /nfs/dbraw/zinc/71/36/22/491713622.db2.gz FGJCEIFKAUDCJH-QMMMGPOBSA-N -1 3 362.337 0.770 10 0 FCAEHM C[C@]1(c2ccc(CNC(=O)c3cn(CC4CC4)nn3)cc2)NC(=O)[N-]C1=O ZINC000580516133 491734214 /nfs/dbraw/zinc/73/42/14/491734214.db2.gz IMNKHEMBSYBMCV-GOSISDBHSA-N -1 3 368.397 0.673 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@@H](CO)c1ccnn1C ZINC000580903387 491751125 /nfs/dbraw/zinc/75/11/25/491751125.db2.gz SPAHGYGIVUFTNR-JTQLQIEISA-N -1 3 357.388 0.428 10 0 FCAEHM COCCO[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C ZINC000581061181 491757490 /nfs/dbraw/zinc/75/74/90/491757490.db2.gz SSSJZHSYYMWWKG-MELADBBJSA-N -1 3 373.475 0.879 10 0 FCAEHM C[C@H]1CCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2N)C[C@@H]1C(=O)OC(C)(C)C ZINC000581075971 491758493 /nfs/dbraw/zinc/75/84/93/491758493.db2.gz WEMFKSGYRQJDGA-IUCAKERBSA-N -1 3 352.391 0.910 10 0 FCAEHM CNC(=O)[C@@H]1CCCN1C(=O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000591171658 491797718 /nfs/dbraw/zinc/79/77/18/491797718.db2.gz WSBRWGHMFCKNJG-LBPRGKRZSA-N -1 3 357.407 0.231 10 0 FCAEHM NC(=O)[C@@H](C[N-]S(=O)(=O)c1cncc(F)c1)Cc1ccc(F)cc1 ZINC000591395704 491804592 /nfs/dbraw/zinc/80/45/92/491804592.db2.gz MUGHILUBLZNQRF-LLVKDONJSA-N -1 3 355.366 0.982 10 0 FCAEHM CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000582402063 491811094 /nfs/dbraw/zinc/81/10/94/491811094.db2.gz RYOXGKPZKMRBNS-GFCCVEGCSA-N -1 3 359.423 0.461 10 0 FCAEHM CN1CCN(c2cc(C[N-]S(=O)(=O)c3cscn3)ccn2)CC1 ZINC000582603317 491819434 /nfs/dbraw/zinc/81/94/34/491819434.db2.gz UUABNEXPUUJZDC-UHFFFAOYSA-N -1 3 353.473 0.768 10 0 FCAEHM COC[C@@](C)([N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C)C(=O)OC ZINC000592035999 491828405 /nfs/dbraw/zinc/82/84/05/491828405.db2.gz NSZIWOIDKJQBKV-CQSZACIVSA-N -1 3 362.404 0.146 10 0 FCAEHM COC(=O)[C@H](CC(C)(C)C)[N-]S(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC000592073545 491830177 /nfs/dbraw/zinc/83/01/77/491830177.db2.gz GTLAHMIVHDVENR-RYUDHWBXSA-N -1 3 369.505 0.708 10 0 FCAEHM COC(=O)c1c(C2CC2)csc1[N-]C(=O)C(=O)N1CN(C)C(=O)[C@@H]1C ZINC000592317533 491836263 /nfs/dbraw/zinc/83/62/63/491836263.db2.gz LONJPVOOMCIDGM-QMMMGPOBSA-N -1 3 365.411 0.997 10 0 FCAEHM C[C@@](O)(CO)CNC(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000583131425 491838667 /nfs/dbraw/zinc/83/86/67/491838667.db2.gz ICIGHLYBQHJFLZ-INIZCTEOSA-N -1 3 365.411 0.503 10 0 FCAEHM COC(=O)c1nscc1S(=O)(=O)[N-]CC1(O)Cc2ccccc2C1 ZINC000583420149 491844653 /nfs/dbraw/zinc/84/46/53/491844653.db2.gz UBHYNKPHXHHJPR-UHFFFAOYSA-N -1 3 368.436 0.738 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)c2cn(C)nn2)c(F)c1 ZINC000583500280 491846296 /nfs/dbraw/zinc/84/62/96/491846296.db2.gz RYEGWVFQNIKBPM-UHFFFAOYSA-N -1 3 356.379 0.954 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CC[C@@H](C)S(=O)(=O)C2)oc1C ZINC000594848630 491866052 /nfs/dbraw/zinc/86/60/52/491866052.db2.gz GTNWTYQJEKNQMN-SCZZXKLOSA-N -1 3 365.429 0.619 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCC(O)(CO)CC1 ZINC000595159083 491892151 /nfs/dbraw/zinc/89/21/51/491892151.db2.gz KSOLHZZOQVWKJX-UHFFFAOYSA-N -1 3 370.427 0.518 10 0 FCAEHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N(C)[C@H]1C[C@@H](C(=O)OC)C1 ZINC000595219224 491902968 /nfs/dbraw/zinc/90/29/68/491902968.db2.gz VDORRYYHIIKAKS-DTORHVGOSA-N -1 3 354.384 0.883 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-][C@@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000601322050 491903887 /nfs/dbraw/zinc/90/38/87/491903887.db2.gz YKTMSQWQUPWXMW-CQSZACIVSA-N -1 3 366.439 0.660 10 0 FCAEHM CCOC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)C[C@@H]1CNCCO1 ZINC000601339748 491905496 /nfs/dbraw/zinc/90/54/96/491905496.db2.gz GVKHHINFKMLBLS-GJZGRUSLSA-N -1 3 356.444 0.069 10 0 FCAEHM COC(=O)c1cnc([C@H](C)[N-]S(=O)(=O)C[C@H]2CN(C)CCO2)s1 ZINC000601447759 491920869 /nfs/dbraw/zinc/92/08/69/491920869.db2.gz VIXXFGYECQXIJX-VHSXEESVSA-N -1 3 363.461 0.241 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)[C@H]1CCc2nc[nH]c2C1 ZINC000612737888 491947760 /nfs/dbraw/zinc/94/77/60/491947760.db2.gz ALRSPLWLLTWCPZ-JTQLQIEISA-N -1 3 354.457 0.671 10 0 FCAEHM CON1CCC(CC(=O)NCC[N-]S(=O)(=O)c2cccs2)CC1 ZINC000612736827 491948083 /nfs/dbraw/zinc/94/80/83/491948083.db2.gz CHHAKOIRFYMRMZ-UHFFFAOYSA-N -1 3 361.489 0.806 10 0 FCAEHM CCOC(=O)c1ncc(NC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cccnc2)[n-]1 ZINC000597565668 492048014 /nfs/dbraw/zinc/04/80/14/492048014.db2.gz WYZKGDGIDQPSHX-UONOGXRCSA-N -1 3 373.369 0.518 10 0 FCAEHM CCOC(=O)c1nc(NC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cccnc2)c[n-]1 ZINC000597565668 492048016 /nfs/dbraw/zinc/04/80/16/492048016.db2.gz WYZKGDGIDQPSHX-UONOGXRCSA-N -1 3 373.369 0.518 10 0 FCAEHM COC[C@]1(C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])CCOC1 ZINC000614816719 492057306 /nfs/dbraw/zinc/05/73/06/492057306.db2.gz JEHLHYYETBCWKK-BWACUDIHSA-N -1 3 351.403 0.920 10 0 FCAEHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)c1cnc2n1CCOC2 ZINC000614824594 492057682 /nfs/dbraw/zinc/05/76/82/492057682.db2.gz WBPTUEWKFYSGJY-MNOVXSKESA-N -1 3 359.386 0.907 10 0 FCAEHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)[C@@H]1CCN=C2C1=NNN2C ZINC000614826416 492058431 /nfs/dbraw/zinc/05/84/31/492058431.db2.gz MKQUDUXWNMNYET-OUAUKWLOSA-N -1 3 373.417 0.091 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CCOC[C@H]1CCCO1 ZINC000604407695 492060674 /nfs/dbraw/zinc/06/06/74/492060674.db2.gz WURDFUQITMHWSM-GFCCVEGCSA-N -1 3 363.457 0.564 10 0 FCAEHM COc1ccc([C@@H]2[C@@H](C(=O)NCCCc3cc(=O)[nH][n-]3)CC(=O)N2C)cc1 ZINC000614920889 492064374 /nfs/dbraw/zinc/06/43/74/492064374.db2.gz IHIKZJILVBSIFD-MAUKXSAKSA-N -1 3 372.425 0.987 10 0 FCAEHM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCOC[C@@H]1[C@H]1CCCN1C ZINC000615267512 492083217 /nfs/dbraw/zinc/08/32/17/492083217.db2.gz YUVYXYFHDHMQCI-HZPDHXFCSA-N -1 3 373.457 0.916 10 0 FCAEHM C[C@H](CN1CCCC1=O)[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000615293107 492084918 /nfs/dbraw/zinc/08/49/18/492084918.db2.gz MKBSXKRKDIKLPD-LLVKDONJSA-N -1 3 360.457 0.379 10 0 FCAEHM COC(=O)[C@@H]1CCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2N)[C@@H]2CCCC[C@H]12 ZINC000598166910 492087030 /nfs/dbraw/zinc/08/70/30/492087030.db2.gz IZZUZICXHAXILN-OPRDCNLKSA-N -1 3 350.375 0.664 10 0 FCAEHM COC(=O)[C@@](C)(CCF)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000598275531 492092318 /nfs/dbraw/zinc/09/23/18/492092318.db2.gz MVSSEIXNAIAUGL-TVQRCGJNSA-N -1 3 366.436 0.822 10 0 FCAEHM CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CN1CC(=O)[N-]C1=O ZINC000605505005 492096806 /nfs/dbraw/zinc/09/68/06/492096806.db2.gz LTOHDCDYRLENNG-UHFFFAOYSA-N -1 3 357.370 0.624 10 0 FCAEHM CC(C)(C)OC(=O)[C@H](CNC(=O)CC[C@H]1NC(=O)[N-]C1=O)C1CCC1 ZINC000598575874 492105182 /nfs/dbraw/zinc/10/51/82/492105182.db2.gz DYTYQMXEJMHNDQ-VXGBXAGGSA-N -1 3 353.419 0.849 10 0 FCAEHM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616025098 492114864 /nfs/dbraw/zinc/11/48/64/492114864.db2.gz KANJLZXEDDONBH-HNNXBMFYSA-N -1 3 370.409 0.684 10 0 FCAEHM COC(=O)C[C@@](C)(NC(=O)CC[C@H]1NC(=O)[N-]C1=O)c1cccc(F)c1 ZINC000616172580 492119842 /nfs/dbraw/zinc/11/98/42/492119842.db2.gz WRVOWHNEFRFWAA-SJKOYZFVSA-N -1 3 365.361 0.708 10 0 FCAEHM COCCS(=O)(=O)[N-]c1ccc(F)c(N2CCCS2(=O)=O)c1 ZINC000606342968 492120607 /nfs/dbraw/zinc/12/06/07/492120607.db2.gz MAGDOHKCCYYGMY-UHFFFAOYSA-N -1 3 352.409 0.754 10 0 FCAEHM CS(=O)(=O)CCCS(=O)(=O)[N-]Cc1noc(-c2cccs2)n1 ZINC000607158695 492139484 /nfs/dbraw/zinc/13/94/84/492139484.db2.gz DVYMQZYIPQOGTJ-UHFFFAOYSA-N -1 3 365.458 0.652 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2c(C(=O)N[C@H]3CCNC(=O)CC3)cc(C3CC3)nc21 ZINC000616361871 492127516 /nfs/dbraw/zinc/12/75/16/492127516.db2.gz PJFUQHOZAZKRHG-SNVBAGLBSA-N -1 3 371.397 0.310 10 0 FCAEHM COC(=O)[C@H](O)C(C)(C)[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1F ZINC000616442322 492132406 /nfs/dbraw/zinc/13/24/06/492132406.db2.gz WXPIBAXWOKJALQ-LBPRGKRZSA-N -1 3 362.379 0.375 10 0 FCAEHM CCc1nncn1CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000607051934 492137383 /nfs/dbraw/zinc/13/73/83/492137383.db2.gz FOGUSNLPAFNOOH-NSHDSACASA-N -1 3 369.422 0.463 10 0 FCAEHM CO[C@@H](C)CN(C(C)C)S(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000607164790 492139964 /nfs/dbraw/zinc/13/99/64/492139964.db2.gz LUAVUGLOLNUGEI-JTQLQIEISA-N -1 3 370.431 0.468 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]Cc2ccc(OC)nc2)on1 ZINC000599212014 492142506 /nfs/dbraw/zinc/14/25/06/492142506.db2.gz XMZBXWRFSAYTKN-UHFFFAOYSA-N -1 3 355.372 0.875 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H]2CC(=O)N(C(C)(C)C)C2)on1 ZINC000599246698 492148347 /nfs/dbraw/zinc/14/83/47/492148347.db2.gz KXTPIPCUSWMKGD-SNVBAGLBSA-N -1 3 373.431 0.670 10 0 FCAEHM CCNC(=O)C(C)(C)C[N-]S(=O)(=O)Cc1cc(C(=O)OCC)no1 ZINC000599267989 492152242 /nfs/dbraw/zinc/15/22/42/492152242.db2.gz VIWRFGDIZWVOCR-UHFFFAOYSA-N -1 3 361.420 0.433 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H](C)[C@@H](C)C(=O)OCC)on1 ZINC000599275467 492153000 /nfs/dbraw/zinc/15/30/00/492153000.db2.gz RDJRWWUTQRONOB-ZJUUUORDSA-N -1 3 362.404 0.858 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-][C@@]2(CC(=O)OC)CCOC2)CCOCC1 ZINC000599279556 492153656 /nfs/dbraw/zinc/15/36/56/492153656.db2.gz URROSBXLGANUSI-CQSZACIVSA-N -1 3 365.448 0.214 10 0 FCAEHM CCc1cnc(N2CCN(C(=O)CC[C@H]3NC(=O)[N-]C3=O)CC2)s1 ZINC000607938743 492153993 /nfs/dbraw/zinc/15/39/93/492153993.db2.gz SDLIHWCSFLPUPI-LLVKDONJSA-N -1 3 351.432 0.342 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H]2CCOC[C@H]2OCC)on1 ZINC000599281921 492154310 /nfs/dbraw/zinc/15/43/10/492154310.db2.gz WYEVGMXEAJREGA-DGCLKSJQSA-N -1 3 362.404 0.465 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H]2CCOC[C@@H]2OCC)on1 ZINC000599281924 492154321 /nfs/dbraw/zinc/15/43/21/492154321.db2.gz WYEVGMXEAJREGA-YPMHNXCESA-N -1 3 362.404 0.465 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@H]2CCOC[C@H]2OCC)on1 ZINC000599281923 492154353 /nfs/dbraw/zinc/15/43/53/492154353.db2.gz WYEVGMXEAJREGA-WCQYABFASA-N -1 3 362.404 0.465 10 0 FCAEHM CC(C)CCc1nnc(NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)s1 ZINC000617096271 492155018 /nfs/dbraw/zinc/15/50/18/492155018.db2.gz OBDCDHVIACXZQG-UHFFFAOYSA-N -1 3 372.476 0.777 10 0 FCAEHM COC(=O)[C@H](O)C(C)(C)[N-]S(=O)(=O)c1cccnc1OCC(F)F ZINC000599289661 492155732 /nfs/dbraw/zinc/15/57/32/492155732.db2.gz HWYXQIBLMYSJND-JTQLQIEISA-N -1 3 368.358 0.316 10 0 FCAEHM CO[C@H](CNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F)[C@@H]1CCOC1 ZINC000617137472 492156373 /nfs/dbraw/zinc/15/63/73/492156373.db2.gz FFRHCDNGSOVQPX-OUCADQQQSA-N -1 3 374.434 0.660 10 0 FCAEHM CO[C@@H](CNC(=O)CCNC(=O)c1ccc(C)cc1[O-])[C@H]1CCOC1 ZINC000617135978 492156506 /nfs/dbraw/zinc/15/65/06/492156506.db2.gz UOEHYBWURLAQAT-BBRMVZONSA-N -1 3 350.415 0.988 10 0 FCAEHM CO[C@H](CNC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)[C@@H]1CCOC1 ZINC000617138331 492156568 /nfs/dbraw/zinc/15/65/68/492156568.db2.gz POOORUGVBQJPPY-DFHBCGBQSA-N -1 3 361.398 0.523 10 0 FCAEHM CO[C@@H](CNC(=O)CNC(=O)c1c[n-]c2ccccc2c1=O)[C@@H]1CCOC1 ZINC000617145980 492156808 /nfs/dbraw/zinc/15/68/08/492156808.db2.gz SQJCJMZNHIYHAO-WBMJQRKESA-N -1 3 373.409 0.426 10 0 FCAEHM CS(=O)(=O)CC1(CCNC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)CC1 ZINC000617183454 492158910 /nfs/dbraw/zinc/15/89/10/492158910.db2.gz UVVKXXISWFHODX-UHFFFAOYSA-N -1 3 350.396 0.515 10 0 FCAEHM COC[C@H](CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)OC ZINC000617231044 492160231 /nfs/dbraw/zinc/16/02/31/492160231.db2.gz DWZYBNJPFDLSHJ-QWRGUYRKSA-N -1 3 350.462 0.583 10 0 FCAEHM COC[C@H](CCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1)OC ZINC000617231043 492160254 /nfs/dbraw/zinc/16/02/54/492160254.db2.gz DWZYBNJPFDLSHJ-MNOVXSKESA-N -1 3 350.462 0.583 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]Cc2ccncc2OC)on1 ZINC000599345616 492162939 /nfs/dbraw/zinc/16/29/39/492162939.db2.gz COVOFEWZTSIPLS-UHFFFAOYSA-N -1 3 355.372 0.875 10 0 FCAEHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]C[C@H](O)[C@H]2CCCO2)s1 ZINC000599390913 492167030 /nfs/dbraw/zinc/16/70/30/492167030.db2.gz GRNMRYIIXPKLTH-DTWKUNHWSA-N -1 3 365.429 0.362 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@H]1C[C@@H](C)n2ncnc21 ZINC000617427696 492168041 /nfs/dbraw/zinc/16/80/41/492168041.db2.gz LJJMXQTXEYFRRE-SCVCMEIPSA-N -1 3 367.406 0.906 10 0 FCAEHM C[C@H]1C[C@H](NC(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)c2ncnn21 ZINC000617432934 492168275 /nfs/dbraw/zinc/16/82/75/492168275.db2.gz MIDBHSLMVMKFST-HZMBPMFUSA-N -1 3 366.381 0.672 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2COCCN2C)c(Cl)c1 ZINC000599454263 492174764 /nfs/dbraw/zinc/17/47/64/492174764.db2.gz JOVSBEMXGURFGF-LLVKDONJSA-N -1 3 362.835 0.736 10 0 FCAEHM CO[C@@H]1CCC[C@H]([C@H](CO)NC(=O)CNC(=O)c2cccc([O-])c2)C1 ZINC000617538033 492175117 /nfs/dbraw/zinc/17/51/17/492175117.db2.gz XRLAIJKHOMZRKZ-MAZHCROVSA-N -1 3 350.415 0.804 10 0 FCAEHM COC(=O)[C@H](C[C@H]1CCCOC1)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000599457588 492175345 /nfs/dbraw/zinc/17/53/45/492175345.db2.gz UHTDAMZDUZQMFF-NEPJUHHUSA-N -1 3 373.431 0.302 10 0 FCAEHM O=C(NCc1nnnn1C1CC1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000608477487 492177489 /nfs/dbraw/zinc/17/74/89/492177489.db2.gz QSFQYLODGRZFFN-ZDUSSCGKSA-N -1 3 356.386 0.635 10 0 FCAEHM COC(=O)CCCCCS(=O)(=O)[N-][C@@H]1CCO[C@@H]1c1nc(C)no1 ZINC000599515460 492182643 /nfs/dbraw/zinc/18/26/43/492182643.db2.gz SIROZKVIEOPBJC-YPMHNXCESA-N -1 3 361.420 0.861 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H]2CCN(C3CCC3)C2=O)on1 ZINC000599523544 492183530 /nfs/dbraw/zinc/18/35/30/492183530.db2.gz AVONHYBOAYDQCO-GFCCVEGCSA-N -1 3 371.415 0.424 10 0 FCAEHM Cc1cc(C(=O)NCCN(C)CCC[NH+](C)C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000617766427 492190749 /nfs/dbraw/zinc/19/07/49/492190749.db2.gz JUONKUZWWLPOQO-UHFFFAOYSA-N -1 3 362.434 0.358 10 0 FCAEHM C[C@]1(c2ccc(C(=O)N3CC[C@@H](O)C(F)(F)C3)cc2)NC(=O)[N-]C1=O ZINC000617810640 492193090 /nfs/dbraw/zinc/19/30/90/492193090.db2.gz LXJZIQILEKXYDI-IAQYHMDHSA-N -1 3 353.325 0.583 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CC[C@H](O)C(F)(F)C1 ZINC000617815279 492193283 /nfs/dbraw/zinc/19/32/83/492193283.db2.gz UIHSIYUKLVBBPK-ZDUSSCGKSA-N -1 3 364.352 0.911 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)N1CC[C@H](O)C(F)(F)C1 ZINC000617814632 492193478 /nfs/dbraw/zinc/19/34/78/492193478.db2.gz HIQVFLQHVBAKCH-ZDUSSCGKSA-N -1 3 365.336 0.486 10 0 FCAEHM COC(=O)[C@H]1CCCN(C(=O)CC[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000608910057 492195780 /nfs/dbraw/zinc/19/57/80/492195780.db2.gz HEAWISIFFGFVCL-LBPRGKRZSA-N -1 3 372.418 0.906 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@@H]2Cc3ccccc3[C@@H]2C)cn1C ZINC000618055279 492209543 /nfs/dbraw/zinc/20/95/43/492209543.db2.gz URFUUTBRZUNQRG-XHDPSFHLSA-N -1 3 362.455 0.851 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCO[C@H]1CC1(F)F ZINC000618126706 492211348 /nfs/dbraw/zinc/21/13/48/492211348.db2.gz UKLNLOBUUILCAB-IUCAKERBSA-N -1 3 354.400 0.955 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)NCCO[C@H]1CC1(F)F ZINC000618126768 492211529 /nfs/dbraw/zinc/21/15/29/492211529.db2.gz VLSYYIYCANVCIU-ZDUSSCGKSA-N -1 3 365.336 0.798 10 0 FCAEHM CN(CC1CN(C)C1)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000618194934 492215319 /nfs/dbraw/zinc/21/53/19/492215319.db2.gz OARHAKXHBZCUTF-UHFFFAOYSA-N -1 3 351.881 0.700 10 0 FCAEHM COC(=O)Cc1n[n-]c(NC(=O)CN2C(=O)CSc3ccccc32)n1 ZINC000609855444 492225277 /nfs/dbraw/zinc/22/52/77/492225277.db2.gz VNEFYRXSNQYDKI-UHFFFAOYSA-N -1 3 361.383 0.598 10 0 FCAEHM COC(=O)Cc1nnc(NC(=O)CN2C(=O)CSc3ccccc32)[n-]1 ZINC000609855444 492225279 /nfs/dbraw/zinc/22/52/79/492225279.db2.gz VNEFYRXSNQYDKI-UHFFFAOYSA-N -1 3 361.383 0.598 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)CN2C(=O)CSc3ccccc32)n[n-]1 ZINC000609855444 492225282 /nfs/dbraw/zinc/22/52/82/492225282.db2.gz VNEFYRXSNQYDKI-UHFFFAOYSA-N -1 3 361.383 0.598 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000600075306 492242022 /nfs/dbraw/zinc/24/20/22/492242022.db2.gz SEFAQRXRTQJEEU-AOOOYVTPSA-N -1 3 367.427 0.894 10 0 FCAEHM COC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)CC[C@@H]1NC(=O)[N-]C1=O ZINC000610397894 492244145 /nfs/dbraw/zinc/24/41/45/492244145.db2.gz CZTDZGUNMJJHBA-RDBSUJKOSA-N -1 3 365.430 0.945 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)N[C@H]1C[C@H](O)C12CCC2 ZINC000619085134 492249771 /nfs/dbraw/zinc/24/97/71/492249771.db2.gz AZXZCHGLWSNWJA-GJZGRUSLSA-N -1 3 355.394 0.678 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2c(C(=O)N[C@@H]3C[C@H](O)C34CCC4)cc(C3CC3)nc21 ZINC000619089303 492250001 /nfs/dbraw/zinc/25/00/01/492250001.db2.gz LYRMHXCGBLULRI-OLZOCXBDSA-N -1 3 370.409 0.945 10 0 FCAEHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CCC(=O)N2)c1 ZINC000619139710 492251155 /nfs/dbraw/zinc/25/11/55/492251155.db2.gz JFHUTBPPEIIRKV-NSHDSACASA-N -1 3 358.354 0.949 10 0 FCAEHM COC(=O)c1sc2[n-]c(CN3C[C@H](O)C[C@H](O)C3)nc(=O)c2c1C ZINC000610614601 492254730 /nfs/dbraw/zinc/25/47/30/492254730.db2.gz CXIXEPADJIJEMI-DTORHVGOSA-N -1 3 353.400 0.007 10 0 FCAEHM COC(=O)[C@@]1(OC)CCN(C(=O)CCNC(=O)c2ccc(C)cc2[O-])C1 ZINC000600289079 492256769 /nfs/dbraw/zinc/25/67/69/492256769.db2.gz ANSXEOJSLKLOPA-GOSISDBHSA-N -1 3 364.398 0.611 10 0 FCAEHM COC(=O)CCNC(=O)CCNC(=O)c1cc([O-])cc(Br)c1 ZINC000600491291 492274546 /nfs/dbraw/zinc/27/45/46/492274546.db2.gz VBGXBIRMVBFYPM-UHFFFAOYSA-N -1 3 373.203 0.954 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)N1CCCc2ccc(OC)cc21 ZINC000619937036 492282934 /nfs/dbraw/zinc/28/29/34/492282934.db2.gz COOSBMOXZCXKIS-UHFFFAOYSA-N -1 3 356.444 0.930 10 0 FCAEHM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)C[C@@H]1C(=O)[O-] ZINC000647501898 492298180 /nfs/dbraw/zinc/29/81/80/492298180.db2.gz BZLZEQGCLYYMHV-ILXRZTDVSA-N -1 3 351.447 0.642 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)N1CCc2nccnc2C1 ZINC000620424992 492308867 /nfs/dbraw/zinc/30/88/67/492308867.db2.gz HWGAXAFRPNBLTI-UHFFFAOYSA-N -1 3 350.375 0.479 10 0 FCAEHM CN(C(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)[C@H]1CCCCN(C)C1=O ZINC000634144146 492321453 /nfs/dbraw/zinc/32/14/53/492321453.db2.gz NFNIEDBWJHCSJP-IFXJQAMLSA-N -1 3 372.425 0.824 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)NCCCN1CCCC1=O ZINC000641950496 492324105 /nfs/dbraw/zinc/32/41/05/492324105.db2.gz PADCEGRRZUJZSQ-UHFFFAOYSA-N -1 3 371.434 0.623 10 0 FCAEHM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000647606912 492333842 /nfs/dbraw/zinc/33/38/42/492333842.db2.gz UFQVQGVFFACPCT-LBPRGKRZSA-N -1 3 369.443 0.434 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@H](CC(F)(F)F)C2)cn1 ZINC000620787250 492335737 /nfs/dbraw/zinc/33/57/37/492335737.db2.gz WDHROYVLWKADTN-SNVBAGLBSA-N -1 3 367.349 0.783 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)CNC(=O)c2ccc(F)c(F)c2)nc1=N ZINC000647665095 492341698 /nfs/dbraw/zinc/34/16/98/492341698.db2.gz LGBXENZJRFPLTR-LBPRGKRZSA-N -1 3 364.356 0.599 10 0 FCAEHM Cn1nccc1[C@H]1NC(=O)N(CC[N-]S(=O)(=O)c2cccs2)C1=O ZINC000647668268 492342635 /nfs/dbraw/zinc/34/26/35/492342635.db2.gz KSAXUVRFSXLYBX-LLVKDONJSA-N -1 3 369.428 0.053 10 0 FCAEHM CC[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])C[C@H](C)N1 ZINC000620899260 492343515 /nfs/dbraw/zinc/34/35/15/492343515.db2.gz AAFYTXCQFKSWJC-NWDGAFQWSA-N -1 3 355.460 0.855 10 0 FCAEHM CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)CSc1n[nH]c(=O)[n-]1 ZINC000620912721 492344949 /nfs/dbraw/zinc/34/49/49/492344949.db2.gz RILJRQVIHRHHLX-LLVKDONJSA-N -1 3 355.464 0.704 10 0 FCAEHM COCCOCCS(=O)(=O)[N-][C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC000621305998 492372563 /nfs/dbraw/zinc/37/25/63/492372563.db2.gz OFBXPTZSVMWCCS-CQSZACIVSA-N -1 3 363.457 0.239 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@@H](C2CC2)[C@H]2CCCCO2)cn1C ZINC000655226624 492416856 /nfs/dbraw/zinc/41/68/56/492416856.db2.gz UYOOPKQENKPXRN-CJNGLKHVSA-N -1 3 370.475 0.471 10 0 FCAEHM COc1c(C)cccc1CNC(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000655250631 492421047 /nfs/dbraw/zinc/42/10/47/492421047.db2.gz OKPIULFXJKVFHJ-UHFFFAOYSA-N -1 3 366.443 0.640 10 0 FCAEHM COc1cnccc1N1CCN(C(=O)c2c[n-]n3c2nccc3=O)CC1 ZINC000621988021 492438175 /nfs/dbraw/zinc/43/81/75/492438175.db2.gz PGBUXJGJDNZINE-UHFFFAOYSA-N -1 3 354.370 0.389 10 0 FCAEHM CO[C@H](C)CS(=O)(=O)[N-]c1ccc([C@@]2(C)NC(=O)N(C)C2=O)cc1 ZINC000655586653 492459618 /nfs/dbraw/zinc/45/96/18/492459618.db2.gz BMVKLAWDQJGHQL-MEBBXXQBSA-N -1 3 355.416 0.860 10 0 FCAEHM CO[C@](C)(CO)C[N-]S(=O)(=O)c1ccc(CCNC(C)=O)s1 ZINC000655622532 492465627 /nfs/dbraw/zinc/46/56/27/492465627.db2.gz RJGQJPNIJIMCBO-ZDUSSCGKSA-N -1 3 350.462 0.102 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-][C@@H]2CCc3ccccc3NC2=O)C[C@@H](C)O1 ZINC000655629131 492467574 /nfs/dbraw/zinc/46/75/74/492467574.db2.gz ZSTHPJHFTUTECD-LALPHHSUSA-N -1 3 353.444 0.884 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@@H]2CCc3c(nnn3C)C2)coc1C(=O)N(C)C ZINC000655648551 492471963 /nfs/dbraw/zinc/47/19/63/492471963.db2.gz BMLVASKPXQSEKV-SNVBAGLBSA-N -1 3 367.431 0.254 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)[C@@H]3CCCN3C(=O)C3CC3)cc2n(C)c1=O ZINC000648909080 492473607 /nfs/dbraw/zinc/47/36/07/492473607.db2.gz DJTZDBHSOWQXJE-LBPRGKRZSA-N -1 3 358.398 0.922 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)NC[C@H](C)CC(F)F)cn1C ZINC000648962334 492480492 /nfs/dbraw/zinc/48/04/92/492480492.db2.gz WQVGMRNTDNNSGS-SECBINFHSA-N -1 3 352.407 0.804 10 0 FCAEHM O=C(Cn1cc(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)cn1)NCCO ZINC000623022984 492500359 /nfs/dbraw/zinc/50/03/59/492500359.db2.gz RTIUKMDUVWKMRW-UHFFFAOYSA-N -1 3 372.303 0.968 10 0 FCAEHM CC(=O)c1ccc(C(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1[O-] ZINC000649228628 492512966 /nfs/dbraw/zinc/51/29/66/492512966.db2.gz XCVKZVHOHGKNMG-INIZCTEOSA-N -1 3 353.396 0.625 10 0 FCAEHM CC(=O)c1ccc(C(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1[O-] ZINC000649228629 492513341 /nfs/dbraw/zinc/51/33/41/492513341.db2.gz XCVKZVHOHGKNMG-MRXNPFEDSA-N -1 3 353.396 0.625 10 0 FCAEHM Cc1ccc2c(n1)[n-]cc(C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C)c2=O ZINC000649234708 492514137 /nfs/dbraw/zinc/51/41/37/492514137.db2.gz MELIGOAAPMKAFN-LBPRGKRZSA-N -1 3 357.414 0.836 10 0 FCAEHM Cc1ccc2c([O-])c(C(=O)N3CN(CCN(C)C)C(=O)[C@@H]3C)cnc2n1 ZINC000649234708 492514139 /nfs/dbraw/zinc/51/41/39/492514139.db2.gz MELIGOAAPMKAFN-LBPRGKRZSA-N -1 3 357.414 0.836 10 0 FCAEHM CC(C)[C@H](CNC(=O)C(=O)N1CCCC[C@H](N2CCCC2)C1)C(=O)[O-] ZINC000656011378 492515592 /nfs/dbraw/zinc/51/55/92/492515592.db2.gz ZNWPAIPAVMZVHC-GJZGRUSLSA-N -1 3 353.463 0.936 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)Nc2nccc3cc[nH]c32)cn1C ZINC000628647781 492532842 /nfs/dbraw/zinc/53/28/42/492532842.db2.gz ZLFPCQPHDVELJH-UHFFFAOYSA-N -1 3 362.415 0.912 10 0 FCAEHM COCCCS(=O)(=O)[N-]CC(=O)Nc1cn(C)nc1-c1ccco1 ZINC000628820848 492554136 /nfs/dbraw/zinc/55/41/36/492554136.db2.gz AZBIQGBHBYFXGZ-UHFFFAOYSA-N -1 3 356.404 0.575 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccc(F)c(F)c1)N[C@@H]1COCCC1=O ZINC000628868137 492557211 /nfs/dbraw/zinc/55/72/11/492557211.db2.gz YMAMASHDRVWXHJ-GFCCVEGCSA-N -1 3 362.354 0.107 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N[C@H]2CO[C@H](C3CC3)C2)cn1C ZINC000629137171 492580152 /nfs/dbraw/zinc/58/01/52/492580152.db2.gz KPMFMDBZKNUGFO-OLZOCXBDSA-N -1 3 356.448 0.081 10 0 FCAEHM COC1(CS(=O)(=O)[N-]c2cccc(NC(=O)CO)c2)CCOCC1 ZINC000650175575 492619094 /nfs/dbraw/zinc/61/90/94/492619094.db2.gz QBSQCXSWJSJRJI-UHFFFAOYSA-N -1 3 358.416 0.555 10 0 FCAEHM NC(=O)C[C@H]1CN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)CCO1 ZINC000629394686 492619969 /nfs/dbraw/zinc/61/99/69/492619969.db2.gz KYEDCCQTGRIUGF-VIFPVBQESA-N -1 3 351.309 0.523 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)N2C[C@H](O)C[C@H]2COC)ccc1F ZINC000650191389 492620622 /nfs/dbraw/zinc/62/06/22/492620622.db2.gz UARNUAJEOPXABT-WDEREUQCSA-N -1 3 361.395 0.347 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)NCC[C@@]2(O)CCOC2)ccc1F ZINC000650191404 492620943 /nfs/dbraw/zinc/62/09/43/492620943.db2.gz UYGBEOAWVVDARL-CQSZACIVSA-N -1 3 361.395 0.397 10 0 FCAEHM CCC1(N2CCOCC2)CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000629418089 492624443 /nfs/dbraw/zinc/62/44/43/492624443.db2.gz NEIMXDOLLSPZKP-UHFFFAOYSA-N -1 3 350.419 0.203 10 0 FCAEHM CCC1(N2CCOCC2)CCN(C(=O)CSc2n[nH]c(=O)[n-]2)CC1 ZINC000629416374 492624765 /nfs/dbraw/zinc/62/47/65/492624765.db2.gz MXYLYMLGZMHKCN-UHFFFAOYSA-N -1 3 355.464 0.706 10 0 FCAEHM CS(=O)(=O)NC[C@H]1COCCN1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000629571737 492649570 /nfs/dbraw/zinc/64/95/70/492649570.db2.gz IEXRLOATAOGMQY-ZDUSSCGKSA-N -1 3 368.455 0.661 10 0 FCAEHM CN1CCN(c2ccnc(-c3noc([C@H]4CCS(=O)(=O)[N-]4)n3)c2)CC1 ZINC000650568153 492651057 /nfs/dbraw/zinc/65/10/57/492651057.db2.gz RTACGJZAJQHHAP-GFCCVEGCSA-N -1 3 364.431 0.248 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@@](C)(C(N)=O)c1ccccc1)[C@@H]1CCOC1 ZINC000656889344 492659867 /nfs/dbraw/zinc/65/98/67/492659867.db2.gz DWIGBQLUEJDGME-XNRPHZJLSA-N -1 3 356.444 0.358 10 0 FCAEHM C[C@@H]1C[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1cnc(C2CC2)nc1 ZINC000629628702 492661082 /nfs/dbraw/zinc/66/10/82/492661082.db2.gz HOCLFGWTHHWDLZ-ZWNOBZJWSA-N -1 3 374.488 0.814 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CC[C@H](c3ccc(O)cc3)C2)c1 ZINC000629670826 492662378 /nfs/dbraw/zinc/66/23/78/492662378.db2.gz VPLWZNISOKASKO-ZDUSSCGKSA-N -1 3 364.427 0.420 10 0 FCAEHM Cn1nccc1[C@H](CO)[N-]S(=O)(=O)c1ncccc1Br ZINC000657010671 492692949 /nfs/dbraw/zinc/69/29/49/492692949.db2.gz LWQVNNIJKYUREA-VIFPVBQESA-N -1 3 361.221 0.590 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)NCC1COC1 ZINC000624885279 492695072 /nfs/dbraw/zinc/69/50/72/492695072.db2.gz BMCXHOIVOMSUDX-UHFFFAOYSA-N -1 3 365.814 0.703 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-]CC(=O)NC2CCCCC2)CCOCC1 ZINC000624928653 492698636 /nfs/dbraw/zinc/69/86/36/492698636.db2.gz GPQBJRFFNUYORS-UHFFFAOYSA-N -1 3 362.492 0.940 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]CCN2CCCS2(=O)=O)c(F)c1F ZINC000624936732 492699390 /nfs/dbraw/zinc/69/93/90/492699390.db2.gz OMGUXLZPJBCXNJ-UHFFFAOYSA-N -1 3 354.400 0.587 10 0 FCAEHM CCO[C@H](CS(=O)(=O)[N-]Cc1nnnn1-c1ccccc1)C1CC1 ZINC000624967542 492705214 /nfs/dbraw/zinc/70/52/14/492705214.db2.gz WNEKKCIWQWBAHE-CQSZACIVSA-N -1 3 351.432 0.897 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)N[C@H]1CCN(C2CCC2)C1=O ZINC000629928984 492706146 /nfs/dbraw/zinc/70/61/46/492706146.db2.gz GKAJBVDXZXAWEP-NSHDSACASA-N -1 3 357.457 0.296 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)N[C@H]1CCN(C2CCC2)C1=O ZINC000629930619 492707207 /nfs/dbraw/zinc/70/72/07/492707207.db2.gz DWKJOSYSJMUUBI-ZDUSSCGKSA-N -1 3 369.418 0.374 10 0 FCAEHM CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1C[C@H](C)n2ncnc21 ZINC000657068623 492708213 /nfs/dbraw/zinc/70/82/13/492708213.db2.gz QNGBQUKQFNHLQJ-VHSXEESVSA-N -1 3 371.444 0.171 10 0 FCAEHM C[C@@H]1C[C@H]([N-]S(=O)(=O)[C@H]2COC(C)(C)C2)C(=O)N1c1cnn(C)c1 ZINC000625025200 492711784 /nfs/dbraw/zinc/71/17/84/492711784.db2.gz DEGOAINXBVZEDI-RTXFEEFZSA-N -1 3 356.448 0.401 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]Cc1nnnn1C1CC1)c1ccc(F)cc1 ZINC000625025092 492712207 /nfs/dbraw/zinc/71/22/07/492712207.db2.gz LQENOHGZHKWEPH-ZDUSSCGKSA-N -1 3 355.395 0.954 10 0 FCAEHM CCO[C@@H](CS(=O)(=O)[N-][C@H]1CCN(C2CCOCC2)C1=O)C1CC1 ZINC000625045724 492715125 /nfs/dbraw/zinc/71/51/25/492715125.db2.gz ZIWFPKUPGIZZTH-GJZGRUSLSA-N -1 3 360.476 0.501 10 0 FCAEHM CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]Cc1cc(C(N)=O)no1 ZINC000625057433 492717047 /nfs/dbraw/zinc/71/70/47/492717047.db2.gz BACNXPDYTJGDEK-ZDUSSCGKSA-N -1 3 371.390 0.590 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCCN2S(C)(=O)=O)c(F)c1F ZINC000625084328 492721851 /nfs/dbraw/zinc/72/18/51/492721851.db2.gz QOAXOJSLXHEJOM-SNVBAGLBSA-N -1 3 368.427 0.976 10 0 FCAEHM CN(CC1CN(C)C1)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000657123190 492725532 /nfs/dbraw/zinc/72/55/32/492725532.db2.gz TYOUNJIHWSQDHN-UHFFFAOYSA-N -1 3 365.452 0.379 10 0 FCAEHM COC[C@@H](CO)[N-]S(=O)(=O)c1c(OC)cccc1OC(F)(F)F ZINC000625179340 492735058 /nfs/dbraw/zinc/73/50/58/492735058.db2.gz IMTIZUQGXTXLEC-MRVPVSSYSA-N -1 3 359.322 0.879 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@@H]2COC[C@]2(C)C1 ZINC000657167345 492735721 /nfs/dbraw/zinc/73/57/21/492735721.db2.gz NGJBMSKCBRVTRW-RISCZKNCSA-N -1 3 360.457 0.252 10 0 FCAEHM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H]1C[C@H](O)C12CCC2 ZINC000657185070 492738886 /nfs/dbraw/zinc/73/88/86/492738886.db2.gz BTQLMCVAKDITOL-KBPBESRZSA-N -1 3 374.484 0.519 10 0 FCAEHM NC(=O)COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1C[C@H](O)C12CCC2 ZINC000657187662 492739876 /nfs/dbraw/zinc/73/98/76/492739876.db2.gz PIHIHNMFTQMSFA-STQMWFEESA-N -1 3 374.846 0.786 10 0 FCAEHM O=S(=O)([N-]C[C@@H]1CCCCN1CCO)c1cnnn1-c1ccccc1 ZINC000625235690 492743346 /nfs/dbraw/zinc/74/33/46/492743346.db2.gz MRQVNBFXAQBEDI-HNNXBMFYSA-N -1 3 365.459 0.392 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]C[C@]2(O)CCS(=O)(=O)C2)c(F)c1F ZINC000625236044 492743579 /nfs/dbraw/zinc/74/35/79/492743579.db2.gz RJNMNSYFHAJTFH-GFCCVEGCSA-N -1 3 355.384 0.101 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCN(S(C)(=O)=O)C2)c(F)c1F ZINC000625268566 492748667 /nfs/dbraw/zinc/74/86/67/492748667.db2.gz MTOQIEBFFKUEFN-SECBINFHSA-N -1 3 354.400 0.585 10 0 FCAEHM COC[C@@H]([N-]S(=O)(=O)c1cnnn1-c1ccccc1)C1CCOCC1 ZINC000625276850 492749677 /nfs/dbraw/zinc/74/96/77/492749677.db2.gz WIVSXTAJBUSNQM-OAHLLOKOSA-N -1 3 366.443 0.987 10 0 FCAEHM Cc1cn(C)nc1NC(=O)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000657537638 492758894 /nfs/dbraw/zinc/75/88/94/492758894.db2.gz RVBJHZZQIACFPW-UHFFFAOYSA-N -1 3 371.397 0.357 10 0 FCAEHM CN1C2(CCC2)COC[C@@]1(CO)C[N-]S(=O)(=O)[C@H]1COC(C)(C)C1 ZINC000625378148 492769046 /nfs/dbraw/zinc/76/90/46/492769046.db2.gz FZAXJXUHTRACDR-CJNGLKHVSA-N -1 3 362.492 0.089 10 0 FCAEHM COc1ncc(Br)cc1C[N-]S(=O)(=O)c1cnnn1C ZINC000625432199 492782224 /nfs/dbraw/zinc/78/22/24/492782224.db2.gz LYNLKEUSDUZJIO-UHFFFAOYSA-N -1 3 362.209 0.460 10 0 FCAEHM CN(CCCN=c1cc(-c2ccccc2)n2[n-]cnc2n1)S(C)(=O)=O ZINC000631060177 492796082 /nfs/dbraw/zinc/79/60/82/492796082.db2.gz WWIAHJOIRASHHO-UHFFFAOYSA-N -1 3 360.443 0.907 10 0 FCAEHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)CC2(OC)CCOCC2)[C@@]12CCCO2 ZINC000651642468 492798735 /nfs/dbraw/zinc/79/87/35/492798735.db2.gz XMZICNIJDMJGOJ-LZWOXQAQSA-N -1 3 363.476 0.828 10 0 FCAEHM CC(=O)N1CCc2sc(S(=O)(=O)[N-]C[C@@H]3COCCN3C)cc2C1 ZINC000625515926 492806464 /nfs/dbraw/zinc/80/64/64/492806464.db2.gz LMOLZTPVCXDRSL-CYBMUJFWSA-N -1 3 373.500 0.262 10 0 FCAEHM O=C1C[C@@H](S(=O)(=O)[N-]C[C@@H]2COc3ccccc3O2)CN1C1CC1 ZINC000631653654 492829272 /nfs/dbraw/zinc/82/92/72/492829272.db2.gz YKAFXBPWYOXOSK-CHWSQXEVSA-N -1 3 352.412 0.509 10 0 FCAEHM O=S(=O)([N-]C[C@H]1CN(Cc2ccncc2)CCO1)c1cncc(F)c1 ZINC000625621345 492843081 /nfs/dbraw/zinc/84/30/81/492843081.db2.gz SRDXPDFGUGGDMM-HNNXBMFYSA-N -1 3 366.418 0.795 10 0 FCAEHM O=S(=O)([N-]C[C@@H]1CN(Cc2ccncc2)CCO1)c1cncc(F)c1 ZINC000625621346 492843096 /nfs/dbraw/zinc/84/30/96/492843096.db2.gz SRDXPDFGUGGDMM-OAHLLOKOSA-N -1 3 366.418 0.795 10 0 FCAEHM C[C@@H](CN1CCCC1=O)[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000631777296 492851103 /nfs/dbraw/zinc/85/11/03/492851103.db2.gz DLQVOXMXGZXLSD-QMMMGPOBSA-N -1 3 354.354 0.728 10 0 FCAEHM Cc1ccc(C(=O)N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)cc1S(N)(=O)=O ZINC000651980065 492857254 /nfs/dbraw/zinc/85/72/54/492857254.db2.gz YUVWJCVFBLIQFA-LLVKDONJSA-N -1 3 364.431 0.161 10 0 FCAEHM Cc1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C)CC2 ZINC000631888849 492870048 /nfs/dbraw/zinc/87/00/48/492870048.db2.gz CCPUWHOUGZPHPD-QMMMGPOBSA-N -1 3 364.353 0.632 10 0 FCAEHM C[C@H]1C(=O)N(C)CN1C(=O)NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000645244460 492882785 /nfs/dbraw/zinc/88/27/85/492882785.db2.gz ASDSOCFHRMYYGM-DYZYQPBXSA-N -1 3 359.386 0.071 10 0 FCAEHM CCN1C[C@H](S(=O)(=O)[N-]Cc2n[nH]cc2Br)CC1=O ZINC000631934371 492891631 /nfs/dbraw/zinc/89/16/31/492891631.db2.gz YWENIZXMOMRLSX-SSDOTTSWSA-N -1 3 351.226 0.212 10 0 FCAEHM O=C1C[C@H](S(=O)(=O)[N-][C@@H](CO)c2cc(F)ccc2F)CN1C1CC1 ZINC000632004266 492908564 /nfs/dbraw/zinc/90/85/64/492908564.db2.gz DUOVCMJBTMCRND-FZMZJTMJSA-N -1 3 360.382 0.681 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@@H](C)[C@H](C)N2CCOCC2)coc1C(=O)N(C)C ZINC000645521210 492919556 /nfs/dbraw/zinc/91/95/56/492919556.db2.gz MHZXCHGWSGKGSZ-STQMWFEESA-N -1 3 373.475 0.677 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@H]2CCN(C(C)C)C2=O)coc1C(=O)N(C)C ZINC000645539607 492923513 /nfs/dbraw/zinc/92/35/13/492923513.db2.gz NFBGMTSFQKUJDD-NSHDSACASA-N -1 3 357.432 0.577 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CCCN2CCC(O)CC2)coc1C(=O)N(C)C ZINC000645554452 492925117 /nfs/dbraw/zinc/92/51/17/492925117.db2.gz JGJNUJMLCWJALE-UHFFFAOYSA-N -1 3 373.475 0.415 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(N)=O)C2)coc1C(=O)N(C)C ZINC000645553522 492925259 /nfs/dbraw/zinc/92/52/59/492925259.db2.gz DFZGBDYBWQMSNE-WDEREUQCSA-N -1 3 357.432 0.612 10 0 FCAEHM Cc1c(C(=O)N(C)C)occ1S(=O)(=O)[N-]CC[C@H](O)C(F)(F)F ZINC000645558374 492925908 /nfs/dbraw/zinc/92/59/08/492925908.db2.gz SWRYXBXMTLAVCT-VIFPVBQESA-N -1 3 358.338 0.881 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]C[C@@H]1CCCS1(=O)=O ZINC000632113279 492932197 /nfs/dbraw/zinc/93/21/97/492932197.db2.gz WQJIZKOWCINCFQ-ZETCQYMHSA-N -1 3 361.367 0.294 10 0 FCAEHM O=S(=O)(Cc1ncsc1Br)[N-]C[C@@]1(O)CCOC1 ZINC000632142848 492938561 /nfs/dbraw/zinc/93/85/61/492938561.db2.gz MFIBMFHIMPNILU-VIFPVBQESA-N -1 3 357.251 0.476 10 0 FCAEHM CCN1C[C@H](S(=O)(=O)[N-][C@H]2CCCN(c3cccnc3)C2=O)CC1=O ZINC000632203730 492950147 /nfs/dbraw/zinc/95/01/47/492950147.db2.gz VTEOLQYRAKCFAK-KGLIPLIRSA-N -1 3 366.443 0.117 10 0 FCAEHM Cc1c(C(=O)N(C)C)occ1S(=O)(=O)[N-]C[C@@](C)(O)C(F)(F)F ZINC000645633848 492951077 /nfs/dbraw/zinc/95/10/77/492951077.db2.gz JRLWJBDUXZBIBL-LLVKDONJSA-N -1 3 358.338 0.881 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]Cc1nncn1C1CC1 ZINC000632289975 492966659 /nfs/dbraw/zinc/96/66/59/492966659.db2.gz CCOGOYGAXRLTEO-UHFFFAOYSA-N -1 3 350.326 0.844 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@@H]2CCCN(CCCO)C2)coc1C(=O)N(C)C ZINC000645741177 492968748 /nfs/dbraw/zinc/96/87/48/492968748.db2.gz BXZWKTKCWWTEMB-CYBMUJFWSA-N -1 3 373.475 0.415 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@H](C)Cc2cnn(C)c2)coc1C(=O)N(C)C ZINC000645747712 492969281 /nfs/dbraw/zinc/96/92/81/492969281.db2.gz KSIDNXNUNBYXGL-SNVBAGLBSA-N -1 3 354.432 0.933 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)Nc2cc3c([nH]c2=O)CCCC3)c1 ZINC000652611491 492970960 /nfs/dbraw/zinc/97/09/60/492970960.db2.gz KSWKADSOPRZJSN-UHFFFAOYSA-N -1 3 365.415 0.317 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@H]2CCN(CC(F)F)C2)coc1C(=O)N(C)C ZINC000645764386 492972065 /nfs/dbraw/zinc/97/20/65/492972065.db2.gz VFDFFMLFEFCBKJ-JTQLQIEISA-N -1 3 365.402 0.908 10 0 FCAEHM CNC(=O)[C@@H](C[N-]S(=O)(=O)c1c[nH]cn1)Cc1ccc(F)cc1C ZINC000645780391 492973761 /nfs/dbraw/zinc/97/37/61/492973761.db2.gz FVAWERADAFHIDB-GFCCVEGCSA-N -1 3 354.407 0.740 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-][C@@H]1CCN(C(C)(C)C)C1=O)C1CCOCC1 ZINC000645782200 492974872 /nfs/dbraw/zinc/97/48/72/492974872.db2.gz DOMVQQIKAJKABN-KGLIPLIRSA-N -1 3 362.492 0.747 10 0 FCAEHM Cc1nc([C@@](C)([N-]S(=O)(=O)CCCN2CCN(C)CC2)C2CC2)no1 ZINC000632365408 492983532 /nfs/dbraw/zinc/98/35/32/492983532.db2.gz VQUPGZUOOJTXDC-INIZCTEOSA-N -1 3 371.507 0.560 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]C[C@@H]1CCCCN1CCO ZINC000632389156 492988912 /nfs/dbraw/zinc/98/89/12/492988912.db2.gz MGIZLRGXPVQZIT-JTQLQIEISA-N -1 3 370.397 0.564 10 0 FCAEHM CCc1nc(S(=O)(=O)[N-][C@H]2CS(=O)(=O)C2(C)C)cn1CC1CC1 ZINC000632495321 493012398 /nfs/dbraw/zinc/01/23/98/493012398.db2.gz OSDIAWNHKJCCCT-NSHDSACASA-N -1 3 361.489 0.709 10 0 FCAEHM CN(C)C1(CS(=O)(=O)[N-]C[C@@H]2CS(=O)(=O)c3ccccc3O2)CC1 ZINC000632497243 493013503 /nfs/dbraw/zinc/01/35/03/493013503.db2.gz BTJPFCPSEFXJGR-GFCCVEGCSA-N -1 3 374.484 0.235 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@@H](C2CC2)C2CCOCC2)cn1C ZINC000652770018 493016890 /nfs/dbraw/zinc/01/68/90/493016890.db2.gz SRYASISQGUDXGE-INIZCTEOSA-N -1 3 370.475 0.328 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CCC(Cn2cnnc2)CC1 ZINC000652849237 493029388 /nfs/dbraw/zinc/02/93/88/493029388.db2.gz XEQYBWMDFLJYQG-UHFFFAOYSA-N -1 3 369.472 0.557 10 0 FCAEHM CN1CCO[C@H](CS(=O)(=O)[N-][C@@H](CO)c2ccc(F)cc2F)C1 ZINC000632573084 493032286 /nfs/dbraw/zinc/03/22/86/493032286.db2.gz QLVXUGOMCJPGCV-FZMZJTMJSA-N -1 3 350.387 0.248 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CC(N2CC[C@@H](O)C2)C1 ZINC000652891128 493036361 /nfs/dbraw/zinc/03/63/61/493036361.db2.gz AHZTYUOTTLMOQT-ZBFHGGJFSA-N -1 3 359.426 0.274 10 0 FCAEHM CCN1C[C@H](S(=O)(=O)[N-]C[C@H](n2cccn2)C(F)(F)F)CC1=O ZINC000632589277 493038469 /nfs/dbraw/zinc/03/84/69/493038469.db2.gz JSZROVAWTJGHRF-ZJUUUORDSA-N -1 3 354.354 0.527 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2[C@H]2CCCN2C)co1 ZINC000646449441 493049360 /nfs/dbraw/zinc/04/93/60/493049360.db2.gz NDDADYORJMBCOU-CHWSQXEVSA-N -1 3 357.432 0.123 10 0 FCAEHM O=C(C[N-]S(=O)(=O)C[C@@H]1CCOC1)c1cncc(Br)c1 ZINC000632637706 493054508 /nfs/dbraw/zinc/05/45/08/493054508.db2.gz LKXHTOKGVWLUNA-SECBINFHSA-N -1 3 363.233 0.983 10 0 FCAEHM CC(C)(C)OCC(=O)NC(C)(C)C(=O)Nc1nnc(SCCO)[n-]1 ZINC000653021805 493059647 /nfs/dbraw/zinc/05/96/47/493059647.db2.gz LDKCEOMSXAIXGH-UHFFFAOYSA-N -1 3 359.452 0.538 10 0 FCAEHM CC(C)(C)OCC(=O)NC(C)(C)C(=O)Nc1nc(SCCO)n[n-]1 ZINC000653021805 493059650 /nfs/dbraw/zinc/05/96/50/493059650.db2.gz LDKCEOMSXAIXGH-UHFFFAOYSA-N -1 3 359.452 0.538 10 0 FCAEHM CC(C)(C)OCC(=O)NC(C)(C)C(=O)Nc1n[n-]c(SCCO)n1 ZINC000653021805 493059652 /nfs/dbraw/zinc/05/96/52/493059652.db2.gz LDKCEOMSXAIXGH-UHFFFAOYSA-N -1 3 359.452 0.538 10 0 FCAEHM CN(CCN1CCN(Cc2ccccc2)CC1)C(=O)CCc1nnn[n-]1 ZINC000633018201 493103664 /nfs/dbraw/zinc/10/36/64/493103664.db2.gz PELHEIPFGSTELK-UHFFFAOYSA-N -1 3 357.462 0.409 10 0 FCAEHM CN(CCN1CCN(Cc2ccccc2)CC1)C(=O)CCc1nn[n-]n1 ZINC000633018201 493103669 /nfs/dbraw/zinc/10/36/69/493103669.db2.gz PELHEIPFGSTELK-UHFFFAOYSA-N -1 3 357.462 0.409 10 0 FCAEHM CN1CCc2cc(NC(=O)NCc3nc(CN)cc(=O)[n-]3)ccc2C1=O ZINC000659033440 493127356 /nfs/dbraw/zinc/12/73/56/493127356.db2.gz UEAZWQAZPRZASL-UHFFFAOYSA-N -1 3 356.386 0.591 10 0 FCAEHM O=C(c1cc(=O)[n-]cn1)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000627285563 493133539 /nfs/dbraw/zinc/13/35/39/493133539.db2.gz JMLLLUJVXXFICF-NEPJUHHUSA-N -1 3 354.366 0.831 10 0 FCAEHM O=C(Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1)N1CC[C@@H]2COC[C@H]2C1 ZINC000666512549 493195752 /nfs/dbraw/zinc/19/57/52/493195752.db2.gz FNPCLRVOUADLPP-NFAWXSAZSA-N -1 3 358.398 0.937 10 0 FCAEHM CC(C)CN1CCO[C@H](CNC(=O)CN2CC[C@@H](C)[C@H](C(=O)[O-])C2)C1 ZINC000647368119 493197994 /nfs/dbraw/zinc/19/79/94/493197994.db2.gz WVMHXUBGYCKLTJ-BZUAXINKSA-N -1 3 355.479 0.502 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H]1CCn2ccnc2C1 ZINC000681746475 493213963 /nfs/dbraw/zinc/21/39/63/493213963.db2.gz PYBIPNBZAPLGGA-NWDGAFQWSA-N -1 3 366.418 0.820 10 0 FCAEHM O=C(N[C@H](C[C@H]1CCCO1)C(F)(F)F)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000654265077 493219309 /nfs/dbraw/zinc/21/93/09/493219309.db2.gz ZZYCECKBKXIUDQ-KXUCPTDWSA-N -1 3 364.324 0.432 10 0 FCAEHM CCNC(=O)C[C@@H]1CCCCN1C(=O)NCc1nc(CN)cc(=O)[n-]1 ZINC000659630976 493223736 /nfs/dbraw/zinc/22/37/36/493223736.db2.gz YDOZWEGSOAFEDS-LBPRGKRZSA-N -1 3 350.423 0.231 10 0 FCAEHM CN(C)[C@H](CNC(=O)C(=O)NCC1(C(=O)[O-])CCC1)Cc1ccccc1 ZINC000659644519 493228318 /nfs/dbraw/zinc/22/83/18/493228318.db2.gz OOPNDOBCDACKQV-HNNXBMFYSA-N -1 3 361.442 0.647 10 0 FCAEHM C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000659665275 493239676 /nfs/dbraw/zinc/23/96/76/493239676.db2.gz SLGJYEQTRWGBEE-AWEZNQCLSA-N -1 3 353.463 0.936 10 0 FCAEHM O=C(CC1(n2cnnn2)CCOCC1)Nc1nnc(-c2ccccn2)[n-]1 ZINC000667023432 493250640 /nfs/dbraw/zinc/25/06/40/493250640.db2.gz OIODYKVLOJCQGX-UHFFFAOYSA-N -1 3 355.362 0.388 10 0 FCAEHM O=C(CC1(n2cnnn2)CCOCC1)Nc1nc(-c2ccccn2)n[n-]1 ZINC000667023432 493250642 /nfs/dbraw/zinc/25/06/42/493250642.db2.gz OIODYKVLOJCQGX-UHFFFAOYSA-N -1 3 355.362 0.388 10 0 FCAEHM O=C(CC1(n2cnnn2)CCOCC1)Nc1n[n-]c(-c2ccccn2)n1 ZINC000667023432 493250644 /nfs/dbraw/zinc/25/06/44/493250644.db2.gz OIODYKVLOJCQGX-UHFFFAOYSA-N -1 3 355.362 0.388 10 0 FCAEHM CC(=O)Nc1ccc(S(=O)(=O)[N-]CCC2CS(=O)(=O)C2)c(F)c1 ZINC000682488011 493303595 /nfs/dbraw/zinc/30/35/95/493303595.db2.gz HVVJWKKQQSUDGS-UHFFFAOYSA-N -1 3 364.420 0.497 10 0 FCAEHM O=S(=O)([N-]C1(CO)CC1)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000659935801 493305214 /nfs/dbraw/zinc/30/52/14/493305214.db2.gz NIWMDJJTGPKZTA-UHFFFAOYSA-N -1 3 360.457 0.274 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@H]2COC[C@@H]2C1 ZINC000660080206 493322671 /nfs/dbraw/zinc/32/26/71/493322671.db2.gz OTUUWPFPPYULSC-NEPJUHHUSA-N -1 3 360.457 0.252 10 0 FCAEHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@H]2COC[C@@H]2C1 ZINC000660078578 493322755 /nfs/dbraw/zinc/32/27/55/493322755.db2.gz JRXJAOAFJDZWBP-STQMWFEESA-N -1 3 374.484 0.642 10 0 FCAEHM O=S(=O)([N-]CCc1nc(-c2ccccc2)n[nH]1)c1cnn2c1OCCC2 ZINC000668189210 493323845 /nfs/dbraw/zinc/32/38/45/493323845.db2.gz PBNOKKKSMBVQHI-UHFFFAOYSA-N -1 3 374.426 0.972 10 0 FCAEHM Cn1ccc(S(=O)(=O)[N-]C[C@@H]2CN(C)CCN2Cc2ccccc2)n1 ZINC000660123885 493328575 /nfs/dbraw/zinc/32/85/75/493328575.db2.gz QSCQEYPXFLDYND-MRXNPFEDSA-N -1 3 363.487 0.515 10 0 FCAEHM CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000684080382 493392577 /nfs/dbraw/zinc/39/25/77/493392577.db2.gz XJXSSRFWAMLOQY-KSSFIOAISA-N -1 3 356.382 0.165 10 0 FCAEHM CN1C[C@H](C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c2ccccc2C1=O ZINC000684079759 493392768 /nfs/dbraw/zinc/39/27/68/493392768.db2.gz NYAXAUPGYPBABM-SCLBCKFNSA-N -1 3 356.382 0.056 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)NCCO[C@@H]1CC1(F)F ZINC000661678716 493457482 /nfs/dbraw/zinc/45/74/82/493457482.db2.gz VAEDWTDSQBTMLL-SECBINFHSA-N -1 3 369.415 0.750 10 0 FCAEHM C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662220661 493497548 /nfs/dbraw/zinc/49/75/48/493497548.db2.gz QMKQVUHLLXMEQK-SEDUGSJDSA-N -1 3 362.382 0.818 10 0 FCAEHM CCN(CC)CCS(=O)(=O)[N-][C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000685593241 493504530 /nfs/dbraw/zinc/50/45/30/493504530.db2.gz XRLSGOYYKJUPPM-OCCSQVGLSA-N -1 3 357.480 0.175 10 0 FCAEHM COc1cccc(CNC(=O)C[N-]S(=O)(=O)c2ccccc2F)n1 ZINC000685677376 493508668 /nfs/dbraw/zinc/50/86/68/493508668.db2.gz FXCXONIIDMPSPN-UHFFFAOYSA-N -1 3 353.375 0.824 10 0 FCAEHM CC(C)c1nc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2CNS(C)(=O)=O)c[nH]1 ZINC000669677556 493520721 /nfs/dbraw/zinc/52/07/21/493520721.db2.gz ZQCWHVIBEKRVRG-MNOVXSKESA-N -1 3 364.493 0.529 10 0 FCAEHM CCN1CC[C@@H]([N-]S(=O)(=O)c2ccc([C@@H](C)NC(C)=O)s2)C1=O ZINC000669984873 493538801 /nfs/dbraw/zinc/53/88/01/493538801.db2.gz KQOKVDKUFFLTCE-MWLCHTKSSA-N -1 3 359.473 0.844 10 0 FCAEHM N[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)CC[C@H]1F ZINC000662944912 493558493 /nfs/dbraw/zinc/55/84/93/493558493.db2.gz APUFCHYDFVZTOL-LDYMZIIASA-N -1 3 351.350 0.141 10 0 FCAEHM CN(C1CC1)S(=O)(=O)[N-][C@H](c1nc(-c2nc[nH]n2)no1)C(C)(C)C ZINC000676732357 493569265 /nfs/dbraw/zinc/56/92/65/493569265.db2.gz OHCYHKOTAUQSAY-SECBINFHSA-N -1 3 355.424 0.871 10 0 FCAEHM C[C@H](CNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F)S(C)(=O)=O ZINC000677181674 493588524 /nfs/dbraw/zinc/58/85/24/493588524.db2.gz XRGJESPHSOSYSZ-ZJUUUORDSA-N -1 3 366.436 0.042 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2C[C@H]3COC[C@@]3(C)C2)s1 ZINC000663537680 493595110 /nfs/dbraw/zinc/59/51/10/493595110.db2.gz YPQDWVWHSAYPMM-IINYFYTJSA-N -1 3 359.473 0.834 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2C[C@@H]3COC[C@@]3(C)C2)s1 ZINC000663537681 493595217 /nfs/dbraw/zinc/59/52/17/493595217.db2.gz YPQDWVWHSAYPMM-QMTHXVAHSA-N -1 3 359.473 0.834 10 0 FCAEHM Cc1cc(CNC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)ncn1 ZINC000677459611 493602953 /nfs/dbraw/zinc/60/29/53/493602953.db2.gz DHOOODAPNWPFNP-NSHDSACASA-N -1 3 352.391 0.907 10 0 FCAEHM C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663629021 493606828 /nfs/dbraw/zinc/60/68/28/493606828.db2.gz IKANSONQYYRABU-UKRRQHHQSA-N -1 3 353.463 0.840 10 0 FCAEHM COc1cc(C(=O)N(C)CCN2CCCS2(=O)=O)cc(OC)c1[O-] ZINC000677903873 493623240 /nfs/dbraw/zinc/62/32/40/493623240.db2.gz BLIZGRJDBRABDA-UHFFFAOYSA-N -1 3 358.416 0.517 10 0 FCAEHM C[C@H](CNC(=O)NCc1ccc([O-])c(Br)c1)S(N)(=O)=O ZINC000664471083 493661810 /nfs/dbraw/zinc/66/18/10/493661810.db2.gz MWJLUUNCELMACW-SSDOTTSWSA-N -1 3 366.237 0.631 10 0 FCAEHM Cc1noc(CCNC(=O)Nc2ccc(C[C@H]3NC(=O)[N-]C3=O)cc2)n1 ZINC000678338301 493641249 /nfs/dbraw/zinc/64/12/49/493641249.db2.gz YPAUHTZSSLQCHD-GFCCVEGCSA-N -1 3 358.358 0.493 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@H](CO)CC(F)(F)F ZINC000678396042 493642986 /nfs/dbraw/zinc/64/29/86/493642986.db2.gz BDDHVBPBYLQXPM-IUCAKERBSA-N -1 3 372.340 0.922 10 0 FCAEHM C[C@H]1CC[C@H](NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)CS1(=O)=O ZINC000664367992 493655937 /nfs/dbraw/zinc/65/59/37/493655937.db2.gz CJNGYTNBKHVANW-WPRPVWTQSA-N -1 3 351.384 0.657 10 0 FCAEHM CC(=O)Nc1ccc(S(=O)(=O)[N-]C[C@@]2(CCO)CCOC2)c(F)c1 ZINC000678724212 493657939 /nfs/dbraw/zinc/65/79/39/493657939.db2.gz HGLNKKIUPUSLMJ-OAHLLOKOSA-N -1 3 360.407 0.852 10 0 FCAEHM CCN1CCc2ccc([N-]S(=O)(=O)c3cn(C)c(=O)n(C)c3=O)cc21 ZINC000679001393 493666974 /nfs/dbraw/zinc/66/69/74/493666974.db2.gz NRRFZJMLHSGJAE-UHFFFAOYSA-N -1 3 364.427 0.267 10 0 FCAEHM O=S(=O)([N-][C@H]1COc2cc(F)cc(F)c21)C1CCS(=O)(=O)CC1 ZINC000680106702 493707724 /nfs/dbraw/zinc/70/77/24/493707724.db2.gz JIOVKHGJRMFFAD-NSHDSACASA-N -1 3 367.395 0.895 10 0 FCAEHM O=C([O-])[C@H](CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CCC1 ZINC000665326874 493709931 /nfs/dbraw/zinc/70/99/31/493709931.db2.gz HUVLDXGHMCSLKH-OAHLLOKOSA-N -1 3 366.462 0.437 10 0 FCAEHM COc1ccc(OC)c([C@H](C)NC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)c1 ZINC000680603381 493725930 /nfs/dbraw/zinc/72/59/30/493725930.db2.gz LNTBRZWDDFFZQP-GWCFXTLKSA-N -1 3 362.386 0.710 10 0 FCAEHM CN1C[C@H](C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)NC1=O ZINC000665781782 493737457 /nfs/dbraw/zinc/73/74/57/493737457.db2.gz GOQOALQXMWBQRO-LLVKDONJSA-N -1 3 372.472 0.041 10 0 FCAEHM COc1cc([N-]C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)nn1C ZINC000681250563 493753665 /nfs/dbraw/zinc/75/36/65/493753665.db2.gz XPBDXSLYOKCWMU-UHFFFAOYSA-N -1 3 370.387 0.295 10 0 FCAEHM C[C@@H](COc1c(F)cccc1F)NC(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000666339992 493773349 /nfs/dbraw/zinc/77/33/49/493773349.db2.gz ZOZNEVRVVNGLAU-JOYOIKCWSA-N -1 3 368.340 0.678 10 0 FCAEHM CC(=O)N1CCO[C@@H](C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)C1 ZINC000936048614 674339482 /nfs/dbraw/zinc/33/94/82/674339482.db2.gz NHCHVESPSZBFLH-NWDGAFQWSA-N -1 3 365.352 0.151 10 0 FCAEHM O=C(NNC(=O)[C@H]1CCCO1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000046595335 674347144 /nfs/dbraw/zinc/34/71/44/674347144.db2.gz OBLFETSHLDPYRG-GFCCVEGCSA-N -1 3 371.390 0.206 10 0 FCAEHM CC(C)(C)OC(=O)CC[C@@H]1CCCN(C(=O)CN2CC(=O)[N-]C2=O)C1 ZINC000412900139 526363526 /nfs/dbraw/zinc/36/35/26/526363526.db2.gz OWLTYIQABKKJRF-LBPRGKRZSA-N -1 3 353.419 0.899 10 0 FCAEHM COC(=O)CC1(NC(=O)c2ccc([O-])c(C)c2)CCS(=O)(=O)CC1 ZINC000440126490 536440848 /nfs/dbraw/zinc/44/08/48/536440848.db2.gz FFVQCWIPPNNGOK-UHFFFAOYSA-N -1 3 355.412 0.941 10 0 FCAEHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2CNS(C)(=O)=O)c1 ZINC000409786861 528617671 /nfs/dbraw/zinc/61/76/71/528617671.db2.gz BRJNOPDICHKLMV-NWDGAFQWSA-N -1 3 364.493 0.460 10 0 FCAEHM CC1(C)NC(=O)N(CC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)C1=O ZINC000436886165 534973080 /nfs/dbraw/zinc/97/30/80/534973080.db2.gz QWTLUKIFWWGUNZ-UHFFFAOYSA-N -1 3 374.397 0.007 10 0 FCAEHM CCn1cnc(S(=O)(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)c1 ZINC000443215885 536126949 /nfs/dbraw/zinc/12/69/49/536126949.db2.gz SFIBCYVKVFBQPH-UHFFFAOYSA-N -1 3 364.427 0.755 10 0 FCAEHM COC[C@](C)(O)CCNC(=O)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000452366958 536641830 /nfs/dbraw/zinc/64/18/30/536641830.db2.gz WBORTGDYEXIOBS-GOSISDBHSA-N -1 3 361.398 0.162 10 0 FCAEHM COc1ccc2c(c1)[n-]cc(C(=O)N[C@@H]1CC(=O)N(C(C)C)C1=O)c2=O ZINC000434385010 537013488 /nfs/dbraw/zinc/01/34/88/537013488.db2.gz OIYGHVBMKBGNBW-CQSZACIVSA-N -1 3 357.366 0.802 10 0 FCAEHM CCN1CN(C(=O)[C@@H]([N-]S(=O)(=O)c2ccccc2F)C(C)C)CC1=O ZINC000330073467 546582703 /nfs/dbraw/zinc/58/27/03/546582703.db2.gz KMDPPCWVETWRQP-HNNXBMFYSA-N -1 3 371.434 0.777 10 0 FCAEHM CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)CCCN1CCOCC1)C(=O)OC ZINC000592068303 546606366 /nfs/dbraw/zinc/60/63/66/546606366.db2.gz VGSXHGJNJRNROT-ZIAGYGMSSA-N -1 3 350.481 0.606 10 0 FCAEHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]CCCc1ncn(C)n1 ZINC000592068856 546606651 /nfs/dbraw/zinc/60/66/51/546606651.db2.gz IZJJPHAFDYJRMN-UHFFFAOYSA-N -1 3 358.445 0.883 10 0 FCAEHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(CN(C)C)cc1)c1ccnn1C ZINC000592092883 546609521 /nfs/dbraw/zinc/60/95/21/546609521.db2.gz QSIMLZFLRAYYTA-HNNXBMFYSA-N -1 3 366.443 0.674 10 0 FCAEHM CCCCc1nc(C(=O)OCC)c(NC(=O)[C@@H]2CCN(C)S2(=O)=O)[n-]1 ZINC000592625052 546658156 /nfs/dbraw/zinc/65/81/56/546658156.db2.gz LKHKTBIKFUEZAG-JTQLQIEISA-N -1 3 372.447 0.901 10 0 FCAEHM CCCCc1nc(NC(=O)[C@@H]2CCN(C)S2(=O)=O)c(C(=O)OCC)[n-]1 ZINC000592625052 546658158 /nfs/dbraw/zinc/65/81/58/546658158.db2.gz LKHKTBIKFUEZAG-JTQLQIEISA-N -1 3 372.447 0.901 10 0 FCAEHM CC[C@@H](CNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)OC ZINC000592856824 546670787 /nfs/dbraw/zinc/67/07/87/546670787.db2.gz ICKMECOBEAUBNY-QMMMGPOBSA-N -1 3 368.864 0.995 10 0 FCAEHM COc1cccc(S([O-])=CC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)c1 ZINC000592872936 546672129 /nfs/dbraw/zinc/67/21/29/546672129.db2.gz NFCUPBNQWMRSIA-ZJWNCGCPSA-N -1 3 367.471 0.381 10 0 FCAEHM COC(=O)Cc1n[n-]c(NC(=O)C(C)(C)NC(=O)COC(C)(C)C)n1 ZINC000593475241 546708278 /nfs/dbraw/zinc/70/82/78/546708278.db2.gz JTINWJNGGJWBRK-UHFFFAOYSA-N -1 3 355.395 0.169 10 0 FCAEHM COC(=O)Cc1nnc(NC(=O)C(C)(C)NC(=O)COC(C)(C)C)[n-]1 ZINC000593475241 546708284 /nfs/dbraw/zinc/70/82/84/546708284.db2.gz JTINWJNGGJWBRK-UHFFFAOYSA-N -1 3 355.395 0.169 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)C(C)(C)NC(=O)COC(C)(C)C)n[n-]1 ZINC000593475241 546708287 /nfs/dbraw/zinc/70/82/87/546708287.db2.gz JTINWJNGGJWBRK-UHFFFAOYSA-N -1 3 355.395 0.169 10 0 FCAEHM COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)[N-]Cc1ncc2c(n1)CCOC2 ZINC000593626905 546723410 /nfs/dbraw/zinc/72/34/10/546723410.db2.gz LVCWBZFRTWDDGT-OCCSQVGLSA-N -1 3 369.443 0.701 10 0 FCAEHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](CCF)C(=O)OC)c1 ZINC000593633730 546724604 /nfs/dbraw/zinc/72/46/04/546724604.db2.gz PJRCALJLRUOARX-LLVKDONJSA-N -1 3 351.327 0.792 10 0 FCAEHM CCOC(=O)[C@H](CC1(OC)CCC1)[N-]S(=O)(=O)N1CCOCC1 ZINC000593652051 546728064 /nfs/dbraw/zinc/72/80/64/546728064.db2.gz XNWCNHNQDRVDKG-LBPRGKRZSA-N -1 3 350.437 0.044 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593863143 546762075 /nfs/dbraw/zinc/76/20/75/546762075.db2.gz MTVXAGBGSQJQGU-SNYSKEOKSA-N -1 3 360.432 0.224 10 0 FCAEHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@](C)(CO)OC ZINC000594484344 546797523 /nfs/dbraw/zinc/79/75/23/546797523.db2.gz IRQLQJHJRADRRC-CYBMUJFWSA-N -1 3 351.808 0.802 10 0 FCAEHM COC[C@@H]([N-]S(=O)(=O)c1cccnc1C(=O)OC)C1CCOCC1 ZINC000594799041 546826186 /nfs/dbraw/zinc/82/61/86/546826186.db2.gz HYBYXSAGEXFYRG-GFCCVEGCSA-N -1 3 358.416 0.588 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](OC)[C@@H]2CCOC2)c(F)c1 ZINC000594799894 546826415 /nfs/dbraw/zinc/82/64/15/546826415.db2.gz GESFJVZHAXBLSQ-YPMHNXCESA-N -1 3 361.391 0.942 10 0 FCAEHM CN(C(=O)CN1CC(=O)[N-]C1=O)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000275280466 546864581 /nfs/dbraw/zinc/86/45/81/546864581.db2.gz OCZMMAOVSCGEBM-LLVKDONJSA-N -1 3 354.407 0.300 10 0 FCAEHM C[C@H]1CCCN(S(=O)(=O)NCC[N-]S(=O)(=O)c2cccs2)C1 ZINC000532617695 546884955 /nfs/dbraw/zinc/88/49/55/546884955.db2.gz KLCSLMKSIIHNIU-NSHDSACASA-N -1 3 367.518 0.593 10 0 FCAEHM COC[C@H]1CCN1C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000458719981 546929193 /nfs/dbraw/zinc/92/91/93/546929193.db2.gz DYXWLSCXJOBMHT-LLVKDONJSA-N -1 3 363.386 0.673 10 0 FCAEHM COCC(COC)S(=O)(=O)[N-]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000641349671 546940964 /nfs/dbraw/zinc/94/09/64/546940964.db2.gz CVBMKJJGNDEBMN-QGZVFWFLSA-N -1 3 372.487 0.204 10 0 FCAEHM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-]CC[C@@H]2CCOC2)c1 ZINC000542250145 547029365 /nfs/dbraw/zinc/02/93/65/547029365.db2.gz SCYQYJZPXSZEFJ-LLVKDONJSA-N -1 3 371.411 0.965 10 0 FCAEHM C[C@@H]([N-]S(C)(=O)=O)c1nc(-c2ccc(N3CCN(C)CC3)nc2)no1 ZINC000546311694 547039886 /nfs/dbraw/zinc/03/98/86/547039886.db2.gz NBLONIVDJFCYAL-LLVKDONJSA-N -1 3 366.447 0.494 10 0 FCAEHM COC(=O)[C@@H](O)C[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000551213749 547134684 /nfs/dbraw/zinc/13/46/84/547134684.db2.gz ANGUZMMKGDUUSB-ZETCQYMHSA-N -1 3 372.624 0.915 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)NCC(=O)NCc1ccco1 ZINC000552332104 547201053 /nfs/dbraw/zinc/20/10/53/547201053.db2.gz BQFXXBMVYXKOKW-UHFFFAOYSA-N -1 3 369.374 0.130 10 0 FCAEHM CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)c1cc(F)cc2nn[n-]c21 ZINC000553248889 547262778 /nfs/dbraw/zinc/26/27/78/547262778.db2.gz LSFBOAQGGAHLIF-SNVBAGLBSA-N -1 3 355.395 0.641 10 0 FCAEHM CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)c1cc(F)cc2[n-]nnc21 ZINC000553248889 547262782 /nfs/dbraw/zinc/26/27/82/547262782.db2.gz LSFBOAQGGAHLIF-SNVBAGLBSA-N -1 3 355.395 0.641 10 0 FCAEHM CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)c1cc(F)cc2n[n-]nc21 ZINC000553248889 547262786 /nfs/dbraw/zinc/26/27/86/547262786.db2.gz LSFBOAQGGAHLIF-SNVBAGLBSA-N -1 3 355.395 0.641 10 0 FCAEHM COc1cc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)nn1C ZINC000548473011 547375396 /nfs/dbraw/zinc/37/53/96/547375396.db2.gz VJLGPJUGNYZVEO-UHFFFAOYSA-N -1 3 364.836 1.061 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]C[C@@H](O)C2CCOCC2)c(Br)n1 ZINC000866849181 663143284 /nfs/dbraw/zinc/14/32/84/663143284.db2.gz RBUMNBGKUUTGFN-SECBINFHSA-N -1 3 368.253 0.248 10 0 FCAEHM Cc1csc(=O)n1CCC(=O)N1CCN(c2nc(C)cc(=O)[n-]2)CC1 ZINC000899500141 665943387 /nfs/dbraw/zinc/94/33/87/665943387.db2.gz MJXNKTCHPBCCGP-UHFFFAOYSA-N -1 3 363.443 0.761 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@@H](C)CN1CCOCC1 ZINC000160391837 663330421 /nfs/dbraw/zinc/33/04/21/663330421.db2.gz ABYBHZBJTLHSBT-SNVBAGLBSA-N -1 3 350.872 0.629 10 0 FCAEHM Cn1cnc(CNC(=O)N[N-]C(=O)c2ccccc2Br)n1 ZINC000092378085 663457794 /nfs/dbraw/zinc/45/77/94/663457794.db2.gz WXTCAJGGCOUGMO-UHFFFAOYSA-N -1 3 353.180 0.722 10 0 FCAEHM CCN1C[C@H](S(=O)(=O)[N-][C@@H]2CCN(c3ccc(C)cc3)C2=O)CC1=O ZINC000866869157 663471484 /nfs/dbraw/zinc/47/14/84/663471484.db2.gz GCENECWUDJDBJS-HUUCEWRRSA-N -1 3 365.455 0.641 10 0 FCAEHM COCCCN(C)CC[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1 ZINC000866872161 663472960 /nfs/dbraw/zinc/47/29/60/663472960.db2.gz HJVUAYIECCJTFK-QFIPXVFZSA-N -1 3 363.505 0.946 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CC[S@@](=O)CC(F)(F)F)nc1Cl ZINC000849420237 663551503 /nfs/dbraw/zinc/55/15/03/663551503.db2.gz OHFJSKRKLAERBT-LJQANCHMSA-N -1 3 353.775 0.663 10 0 FCAEHM Cn1cc(CNC(=O)N[N-]C(=O)c2ccc(F)cc2Br)nn1 ZINC000093058992 664327416 /nfs/dbraw/zinc/32/74/16/664327416.db2.gz WKDLUNGQBIKKNH-UHFFFAOYSA-N -1 3 371.170 0.861 10 0 FCAEHM COC(=O)N1CCC[C@H]([N-]S(=O)(=O)c2c(C)nn(C)c2Cl)C1 ZINC000726599113 664921691 /nfs/dbraw/zinc/92/16/91/664921691.db2.gz LXCBCJALVAMPHZ-VIFPVBQESA-N -1 3 350.828 0.891 10 0 FCAEHM CCO[C@@H]1C[C@@H](NC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)[C@@H]1SC ZINC000895514962 665048504 /nfs/dbraw/zinc/04/85/04/665048504.db2.gz YHQGNOXKRRDDQQ-YFCNSXCBSA-N -1 3 367.475 0.969 10 0 FCAEHM CC[S@@](C)(=O)=NS(=O)(=O)[N-]C1CCN(CCOC(C)C)CC1 ZINC000866908543 665140921 /nfs/dbraw/zinc/14/09/21/665140921.db2.gz MWBRYCDRKHHWAE-OAQYLSRUSA-N -1 3 355.526 0.828 10 0 FCAEHM C[C@H](OC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C(N)=O ZINC000728724086 665157501 /nfs/dbraw/zinc/15/75/01/665157501.db2.gz HKFSPJXQORYJER-QMMMGPOBSA-N -1 3 355.347 0.985 10 0 FCAEHM C[C@H](CO[C@H]1CCOC1)[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000866942494 665223022 /nfs/dbraw/zinc/22/30/22/665223022.db2.gz UNHPQGXMETVMEN-BDAKNGLRSA-N -1 3 368.253 0.655 10 0 FCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436823150 666034302 /nfs/dbraw/zinc/03/43/02/666034302.db2.gz ZOTBGGPRUZEFHV-DTWKUNHWSA-N -1 3 352.343 0.307 10 0 FCAEHM CN1CCN(Cc2ccc(CNC(=O)N[C@@H](CF)C(=O)[O-])cc2)CC1 ZINC000908779091 666217801 /nfs/dbraw/zinc/21/78/01/666217801.db2.gz CVTNYMYGWLTMLR-HNNXBMFYSA-N -1 3 352.410 0.656 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCC(=O)C[C@H]1C1CC1 ZINC000912177045 666394336 /nfs/dbraw/zinc/39/43/36/666394336.db2.gz KKHLAELWSUKNJP-NSHDSACASA-N -1 3 370.203 0.682 10 0 FCAEHM C[C@@H](CC(=O)N[C@H]1CCCNC1=O)[N-]S(=O)(=O)c1cccnc1Cl ZINC000731896882 666845017 /nfs/dbraw/zinc/84/50/17/666845017.db2.gz NGCCXZJVIQFIOL-UWVGGRQHSA-N -1 3 374.850 0.187 10 0 FCAEHM CO[C@@H]1COC[C@H]1[N-]S(=O)(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000916619106 667010007 /nfs/dbraw/zinc/01/00/07/667010007.db2.gz JFOSBKJGTFVJHI-YNEHKIRRSA-N -1 3 364.464 0.719 10 0 FCAEHM CC(C)(C)OC(=O)[C@@]1([N-]S(=O)(=O)C[C@@]23CCN(C2)CCC3)CCOC1 ZINC000917357416 667071153 /nfs/dbraw/zinc/07/11/53/667071153.db2.gz SHDROPYAOTUGFH-DLBZAZTESA-N -1 3 374.503 0.893 10 0 FCAEHM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000921585352 667140297 /nfs/dbraw/zinc/14/02/97/667140297.db2.gz CPSQMTIYUJAHRE-URNOHEEXSA-N -1 3 367.415 0.895 10 0 FCAEHM O=S(=O)([N-][C@@H](CO)CN1CCOCC1)c1cccnc1C(F)(F)F ZINC000918982802 667146695 /nfs/dbraw/zinc/14/66/95/667146695.db2.gz YCYMIVKDKYLGET-SNVBAGLBSA-N -1 3 369.365 0.072 10 0 FCAEHM O=S(=O)([N-][C@H](CO)CN1CCOCC1)c1cccc(Cl)c1Cl ZINC000918987932 667148724 /nfs/dbraw/zinc/14/87/24/667148724.db2.gz HVPFJSAJHIQEKY-JTQLQIEISA-N -1 3 369.270 0.965 10 0 FCAEHM CN1C[C@H](CC[N-]S(=O)(=O)c2cnn(C)c2Br)CC1=O ZINC000921058140 667266484 /nfs/dbraw/zinc/26/64/84/667266484.db2.gz FWQYEDPTBHPVPB-MRVPVSSYSA-N -1 3 365.253 0.329 10 0 FCAEHM COC(=O)CC1CC([N-]S(=O)(=O)c2cn(C)nc2Br)C1 ZINC000921178028 667271122 /nfs/dbraw/zinc/27/11/22/667271122.db2.gz GIFDYANQJBDEBY-UHFFFAOYSA-N -1 3 366.237 0.803 10 0 FCAEHM CCCN(CCC)S(=O)(=O)N1CCN(Cc2nc(C)cc(=O)[n-]2)CC1 ZINC000753817478 667568659 /nfs/dbraw/zinc/56/86/59/667568659.db2.gz LDUNLKMKNJZSEY-UHFFFAOYSA-N -1 3 371.507 0.975 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]C2(c3ncccn3)CCOCC2)nc1Cl ZINC000922071554 667581858 /nfs/dbraw/zinc/58/18/58/667581858.db2.gz GQXNLTYMEJMMGN-UHFFFAOYSA-N -1 3 357.823 0.848 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]3CCNC(=O)[C@H]32)ccc1F ZINC000922444857 667653200 /nfs/dbraw/zinc/65/32/00/667653200.db2.gz DSSVXQIQUYUSJF-YGRLFVJLSA-N -1 3 369.418 0.475 10 0 FCAEHM Cn1ncc(C[N-]S(=O)(=O)c2cc(Br)cc(C(N)=O)c2)n1 ZINC000805102828 667685131 /nfs/dbraw/zinc/68/51/31/667685131.db2.gz PMPUZTLMJCSUKH-UHFFFAOYSA-N -1 3 374.220 0.155 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@H]1CCCS(=O)(=O)C1 ZINC000805123231 667715314 /nfs/dbraw/zinc/71/53/14/667715314.db2.gz KUBMNVRNNDDKMZ-SECBINFHSA-N -1 3 355.869 0.485 10 0 FCAEHM O=C([N-]OCC(F)F)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000760146933 667838064 /nfs/dbraw/zinc/83/80/64/667838064.db2.gz LNNDCZUEQKNBGW-GARJFASQSA-N -1 3 368.402 0.409 10 0 FCAEHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H]2CCC[C@H](C(N)=O)C2)c1 ZINC000738406764 667918720 /nfs/dbraw/zinc/91/87/20/667918720.db2.gz BBBMBKKOLSNAKI-ONGXEEELSA-N -1 3 358.391 0.935 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCN(CC(F)(F)F)C2=O)nn1 ZINC000866993271 667951391 /nfs/dbraw/zinc/95/13/91/667951391.db2.gz XJADPIKCPVXABU-SECBINFHSA-N -1 3 352.338 0.617 10 0 FCAEHM COC1(C[N-]S(=O)(=O)c2cn(C)nc2Br)CCOCC1 ZINC000866994995 667960172 /nfs/dbraw/zinc/96/01/72/667960172.db2.gz WQZCJXPXXZLJMQ-UHFFFAOYSA-N -1 3 368.253 0.657 10 0 FCAEHM C[C@@H]1NC(=O)N(CCN2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)C1=O ZINC000839014278 667970701 /nfs/dbraw/zinc/97/07/01/667970701.db2.gz UKEPKKPNZLDNKF-NAKRPEOUSA-N -1 3 364.368 0.704 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN3C(=O)OCC[C@@H]3C2)c(C)o1 ZINC000764257200 667979278 /nfs/dbraw/zinc/97/92/78/667979278.db2.gz PPSJTCPOTGCFLJ-SNVBAGLBSA-N -1 3 357.388 0.163 10 0 FCAEHM O=C(COC(=O)C1C[C@@H]2COC[C@H](C1)C2=O)[N-]C(=O)c1cccs1 ZINC000740396255 667996993 /nfs/dbraw/zinc/99/69/93/667996993.db2.gz KFMZNKXSZMALHB-FGWVZKOKSA-N -1 3 351.380 0.789 10 0 FCAEHM Cn1ccc(CNC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)n1 ZINC000765830569 668015308 /nfs/dbraw/zinc/01/53/08/668015308.db2.gz FLHXZUZFQFLFPE-UHFFFAOYSA-N -1 3 352.391 0.930 10 0 FCAEHM CN(C)c1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc(=O)[n-]1 ZINC000765975636 668018400 /nfs/dbraw/zinc/01/84/00/668018400.db2.gz ZFAPKNFGNYPWGI-UHFFFAOYSA-N -1 3 351.407 0.941 10 0 FCAEHM C[C@@H](CO[N-]C(=O)CCCN1C(=O)CNC1=O)NC(=O)OC(C)(C)C ZINC000767177897 668046612 /nfs/dbraw/zinc/04/66/12/668046612.db2.gz OHWJGLKYEDFARO-JTQLQIEISA-N -1 3 358.395 0.279 10 0 FCAEHM C[C@@H]1OCC[C@H]1S(=O)(=O)[N-]N1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC000767542600 668055446 /nfs/dbraw/zinc/05/54/46/668055446.db2.gz UKEQEDOXVCVIDJ-JVLSTEMRSA-N -1 3 353.400 0.465 10 0 FCAEHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)O[C@@H]1CC[C@H](S(C)(=O)=O)C1 ZINC000771619677 668263182 /nfs/dbraw/zinc/26/31/82/668263182.db2.gz PHFKVEZEDFICKG-OUAUKWLOSA-N -1 3 355.478 0.459 10 0 FCAEHM Cn1cc([C@H](O)C[N-]S(=O)(=O)c2cnccc2C(F)(F)F)cn1 ZINC000785496542 668715343 /nfs/dbraw/zinc/71/53/43/668715343.db2.gz XMAITQCZAGZKOF-SNVBAGLBSA-N -1 3 350.322 0.846 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)OCC(=O)OCC(F)(F)F)ccc1F ZINC000788958977 668845941 /nfs/dbraw/zinc/84/59/41/668845941.db2.gz MIUJCVKDECZQLM-UHFFFAOYSA-N -1 3 373.280 0.996 10 0 FCAEHM COCCN(C)S(=O)(=O)[N-]C(=O)c1cccc(CN2CCCC2)c1 ZINC000805895506 668860442 /nfs/dbraw/zinc/86/04/42/668860442.db2.gz TZFVHKIPAFJUPN-UHFFFAOYSA-N -1 3 355.460 0.835 10 0 FCAEHM COc1ncc(COC(=O)C[N-]S(=O)(=O)CCOC(C)C)c(C)n1 ZINC000798629220 669253621 /nfs/dbraw/zinc/25/36/21/669253621.db2.gz BIECTYOMUQNGHA-UHFFFAOYSA-N -1 3 361.420 0.181 10 0 FCAEHM Cn1ccnc1C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000799635662 669307013 /nfs/dbraw/zinc/30/70/13/669307013.db2.gz RSABHGCCCPIEKO-UHFFFAOYSA-N -1 3 360.798 0.921 10 0 FCAEHM CN(C[C@H](O)CN1CCC(c2n[nH]c(=O)[n-]2)CC1)C(=O)OC(C)(C)C ZINC000822992868 669312280 /nfs/dbraw/zinc/31/22/80/669312280.db2.gz YZHNOHJZUMRGPC-LBPRGKRZSA-N -1 3 355.439 0.918 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)[C@@H]1CSC(=O)N1 ZINC000799741903 669312915 /nfs/dbraw/zinc/31/29/15/669312915.db2.gz YZSSSJVTLWUTPL-VIFPVBQESA-N -1 3 365.383 0.184 10 0 FCAEHM CC(C)(C)OC(=O)N1CC(S(=O)(=O)[N-]C[C@@](C)(O)C(F)(F)F)C1 ZINC000867026464 669330074 /nfs/dbraw/zinc/33/00/74/669330074.db2.gz YPGVEIBPEBJMKS-LLVKDONJSA-N -1 3 362.370 0.838 10 0 FCAEHM COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)c2cc(=O)[n-]c(N(C)C)n2)C1 ZINC000804369514 669378095 /nfs/dbraw/zinc/37/80/95/669378095.db2.gz UHPOFEVRRWJRRH-ZDUSSCGKSA-N -1 3 362.308 0.816 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]Cc1ccc(CC(N)=O)cc1 ZINC000809852524 669646096 /nfs/dbraw/zinc/64/60/96/669646096.db2.gz YRQIMXKQFMUGIB-UHFFFAOYSA-N -1 3 356.835 0.888 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NC[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000831201609 669834775 /nfs/dbraw/zinc/83/47/75/669834775.db2.gz LMXPJWLUVWSVPY-AEJSXWLSSA-N -1 3 370.203 0.419 10 0 FCAEHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@@H]2CCCCN2CCO)c1 ZINC000831805419 669868710 /nfs/dbraw/zinc/86/87/10/669868710.db2.gz WYCNDRSNMIPVFX-ZDUSSCGKSA-N -1 3 374.434 0.737 10 0 FCAEHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cn(C)c(Cl)n2)[C@H]1n1cccn1 ZINC000815110159 669900263 /nfs/dbraw/zinc/90/02/63/669900263.db2.gz GATRXKNEJJWZFY-CKYFFXLPSA-N -1 3 359.839 0.967 10 0 FCAEHM Cn1ccc(NC(=O)C[N-]S(=O)(=O)C[C@@]2(C)CC2(Cl)Cl)n1 ZINC000867194611 670061196 /nfs/dbraw/zinc/06/11/96/670061196.db2.gz AGTGJICNXLWHMS-SNVBAGLBSA-N -1 3 355.247 0.862 10 0 FCAEHM CCOC1CC(O)(C[N-]S(=O)(=O)c2cn(C)nc2Br)C1 ZINC000867197392 670068209 /nfs/dbraw/zinc/06/82/09/670068209.db2.gz SRMZHKIJHIDPNY-UHFFFAOYSA-N -1 3 368.253 0.391 10 0 FCAEHM COC[C@@H]([N-]S(=O)(=O)c1cn(C)nc1Br)[C@@H]1CCCO1 ZINC000867207594 670074661 /nfs/dbraw/zinc/07/46/61/670074661.db2.gz SDWWDTLISFTPKR-BDAKNGLRSA-N -1 3 368.253 0.655 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]C[C@@H](CO)[C@@H]2CCOC2)c(Br)n1 ZINC000867220994 670087901 /nfs/dbraw/zinc/08/79/01/670087901.db2.gz VEHMJENOEWMWAF-BDAKNGLRSA-N -1 3 368.253 0.106 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](C)[C@@H](C)N1CCOCC1 ZINC000104757878 670679011 /nfs/dbraw/zinc/67/90/11/670679011.db2.gz OBFBXSQNLNIMSJ-GXSJLCMTSA-N -1 3 350.872 0.769 10 0 FCAEHM CC[C@H](O)C[N-]S(=O)(=O)c1cnn(C)c1I ZINC000867298926 670691754 /nfs/dbraw/zinc/69/17/54/670691754.db2.gz LCAGJBVYGGJQLE-LURJTMIESA-N -1 3 359.189 0.074 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]Cc1cc(Br)no1)[C@@H]1CCOC1 ZINC000867322836 670781586 /nfs/dbraw/zinc/78/15/86/670781586.db2.gz FDDWRLXGZWSURY-SCZZXKLOSA-N -1 3 369.237 0.908 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-]C[C@H]2CCCCN2CCO)c1C(F)(F)F ZINC000867328397 670835112 /nfs/dbraw/zinc/83/51/12/670835112.db2.gz VWYDERUJEPCXOU-SNVBAGLBSA-N -1 3 370.397 0.564 10 0 FCAEHM O=S(=O)([N-]C[C@@H]1CCCCN1CCO)c1nc[nH]c1Br ZINC000867328503 670835743 /nfs/dbraw/zinc/83/57/43/670835743.db2.gz YVRAZVVHUMAVKL-VIFPVBQESA-N -1 3 367.269 0.297 10 0 FCAEHM C[C@H](Cc1cnn(C)c1)[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867360543 670928728 /nfs/dbraw/zinc/92/87/28/670928728.db2.gz JEHNWDZCTNZEAK-MRVPVSSYSA-N -1 3 362.253 0.826 10 0 FCAEHM CCO[C@@H]1COC[C@H]1[N-]S(=O)(=O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000867367672 670942376 /nfs/dbraw/zinc/94/23/76/670942376.db2.gz GOWUIAPLCHYNLX-VXGBXAGGSA-N -1 3 350.437 0.329 10 0 FCAEHM C[C@@H](OC(=O)c1ccc(N)c(Cl)c1[O-])C(=O)N(C)CC(=O)NC1CC1 ZINC000845193860 670973975 /nfs/dbraw/zinc/97/39/75/670973975.db2.gz LTNGYKAFDLDNKZ-MRVPVSSYSA-N -1 3 369.805 0.910 10 0 FCAEHM O=C([N-]CC1CCN(C(=O)NCC[C@]2(O)CCOC2)CC1)C(F)(F)F ZINC000845456239 671006653 /nfs/dbraw/zinc/00/66/53/671006653.db2.gz XBNHNQDPSZTSGK-AWEZNQCLSA-N -1 3 367.368 0.628 10 0 FCAEHM COC(=O)[C@H](CC1CC1)[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867403945 671079472 /nfs/dbraw/zinc/07/94/72/671079472.db2.gz ZQKWCFHNDFBIJK-QMMMGPOBSA-N -1 3 366.237 0.803 10 0 FCAEHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]C2(C(=O)N(C)C)CC2)c1 ZINC000848459472 671278164 /nfs/dbraw/zinc/27/81/64/671278164.db2.gz MBYDPKWCWXIMFX-UHFFFAOYSA-N -1 3 358.391 0.820 10 0 FCAEHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@@H](CO)c2ccnn2C)c1 ZINC000848459935 671278193 /nfs/dbraw/zinc/27/81/93/671278193.db2.gz YIZSLOXZEWPYHA-NSHDSACASA-N -1 3 371.390 0.666 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CN(C3CC3)C(=O)O2)c(F)c1 ZINC000848513652 671283143 /nfs/dbraw/zinc/28/31/43/671283143.db2.gz OLZHTLJXUQJXQN-NSHDSACASA-N -1 3 372.374 0.874 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@@H]2Cc3ccccc3N(C)C2=O)nc1Cl ZINC000849423261 671341517 /nfs/dbraw/zinc/34/15/17/671341517.db2.gz KLWOSZQJSJSJPP-SNVBAGLBSA-N -1 3 354.819 0.940 10 0 FCAEHM O=S(=O)([N-]C[C@@]1(OCCO)CCOC1)c1cnc(Cl)c(F)c1 ZINC000849427878 671342216 /nfs/dbraw/zinc/34/22/16/671342216.db2.gz QMQIICMPCMDUFT-LBPRGKRZSA-N -1 3 354.787 0.320 10 0 FCAEHM COCc1nc(C[N-]S(=O)(=O)c2ccc(Br)o2)n[nH]1 ZINC000849437181 671344746 /nfs/dbraw/zinc/34/47/46/671344746.db2.gz CTVISCFVGWQWPD-UHFFFAOYSA-N -1 3 351.182 0.785 10 0 FCAEHM COC[C@@H](COC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)OC ZINC000849722260 671360666 /nfs/dbraw/zinc/36/06/66/671360666.db2.gz VISHJNPQABWGIT-QMMMGPOBSA-N -1 3 357.837 0.884 10 0 FCAEHM CC[C@@H](C(=O)[N-]S(=O)(=O)c1ccc2c(c1)nnn2C)N(CC)CC ZINC000851174564 671431423 /nfs/dbraw/zinc/43/14/23/671431423.db2.gz GRSNNYFQGBINEB-ZDUSSCGKSA-N -1 3 353.448 0.894 10 0 FCAEHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]Cc1cc(OC)no1 ZINC000851813790 671469753 /nfs/dbraw/zinc/46/97/53/671469753.db2.gz XCCREOOQHNQPEX-UHFFFAOYSA-N -1 3 361.763 0.997 10 0 FCAEHM CCOC(=O)C1(C(=O)NCc2nc(C(F)(F)F)n[n-]2)CCOCC1 ZINC000803120517 675909585 /nfs/dbraw/zinc/90/95/85/675909585.db2.gz AYXVMVIPFKKHAG-UHFFFAOYSA-N -1 3 350.297 0.800 10 0 FCAEHM O=C(NCC[S@@](=O)CC(F)(F)F)NCc1nc(C(F)(F)F)n[n-]1 ZINC000854004924 671563669 /nfs/dbraw/zinc/56/36/69/671563669.db2.gz LKKPUMWSXAWLQV-HSZRJFAPSA-N -1 3 367.275 0.934 10 0 FCAEHM C[C@@H](C[N-]S(=O)(=O)c1cnn(C)c1Br)Cn1ccnc1 ZINC000903149646 675916084 /nfs/dbraw/zinc/91/60/84/675916084.db2.gz BXKFRKWSOSOQOV-VIFPVBQESA-N -1 3 362.253 0.994 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](Cn3ccnn3)C2)ccc1F ZINC000855239954 671631194 /nfs/dbraw/zinc/63/11/94/671631194.db2.gz KPJUFCWZTSJPPJ-LLVKDONJSA-N -1 3 367.406 0.488 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2nnc(C3CC3)n2C)ccc1F ZINC000855252371 671631963 /nfs/dbraw/zinc/63/19/63/671631963.db2.gz HJTAUVMLVVCDIT-UHFFFAOYSA-N -1 3 353.379 0.992 10 0 FCAEHM CN(OCC(F)(F)F)C(=O)C[N-]S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000856763273 671700782 /nfs/dbraw/zinc/70/07/82/671700782.db2.gz FQEDZCOVTFSCCN-UHFFFAOYSA-N -1 3 364.733 0.304 10 0 FCAEHM Cc1cc(S(=O)(=O)[N-]CC[C@@H]2CNCCS2(=O)=O)c(F)cc1F ZINC000903540256 675940885 /nfs/dbraw/zinc/94/08/85/675940885.db2.gz CNXCFNYDEYADNF-SNVBAGLBSA-N -1 3 368.427 0.328 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]C[C@@H]2CN(C3CC3)C(=O)O2)on1 ZINC000859212618 671801391 /nfs/dbraw/zinc/80/13/91/671801391.db2.gz IEIHOJCNILNEHC-LLVKDONJSA-N -1 3 373.387 0.254 10 0 FCAEHM CCn1ncc(C[N-]S(=O)(=O)c2ccc(C(=O)OC)cc2OC)n1 ZINC000859252470 671804582 /nfs/dbraw/zinc/80/45/82/671804582.db2.gz QMVWKHCTSBQDFU-UHFFFAOYSA-N -1 3 354.388 0.572 10 0 FCAEHM CCON(CC)C(=O)C[N-]S(=O)(=O)C[C@@]1(OC(C)C)CCOC1 ZINC000859272222 671806321 /nfs/dbraw/zinc/80/63/21/671806321.db2.gz OKFPCMMHVSWBJN-CQSZACIVSA-N -1 3 352.453 0.290 10 0 FCAEHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@@H](O)[C@@H]2CCCO2)c1 ZINC000859286936 671810087 /nfs/dbraw/zinc/81/00/87/671810087.db2.gz JRBGCPWRXSHFIK-OLZOCXBDSA-N -1 3 361.391 0.821 10 0 FCAEHM CO[C@H]1CN(C)[C@@](C)(COC(=O)c2ccc([N-]S(C)(=O)=O)nc2)C1 ZINC000861358711 671956598 /nfs/dbraw/zinc/95/65/98/671956598.db2.gz YUAXBTOMHZSBTN-IUODEOHRSA-N -1 3 357.432 0.719 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)Nn2cccn2)CCCC1 ZINC000862767315 672077142 /nfs/dbraw/zinc/07/71/42/672077142.db2.gz YMHXGBDQFQKBNZ-UHFFFAOYSA-N -1 3 353.404 0.849 10 0 FCAEHM CN1CCOC[C@H]1CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000862973806 672092957 /nfs/dbraw/zinc/09/29/57/672092957.db2.gz WBNPWEGHTDTRIN-CYBMUJFWSA-N -1 3 371.434 0.327 10 0 FCAEHM CC[S@](C)(=O)=NS(=O)(=O)[N-]C1CCN(C(=O)CC(C)C)CC1 ZINC000866615092 672284797 /nfs/dbraw/zinc/28/47/97/672284797.db2.gz BBUOFXOXXKRCRN-NRFANRHFSA-N -1 3 353.510 0.976 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCN(C(=O)C(F)(F)F)C2)nn1 ZINC000867487187 672324075 /nfs/dbraw/zinc/32/40/75/672324075.db2.gz DFYCCJZNUWZEKB-JTQLQIEISA-N -1 3 366.365 0.864 10 0 FCAEHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cnn(C)c2Br)c2ncnn21 ZINC000867497575 672326285 /nfs/dbraw/zinc/32/62/85/672326285.db2.gz BOQMRLVLQLIBMW-RQJHMYQMSA-N -1 3 361.225 0.758 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-][C@H]2C[C@@H](O)C23CCC3)c1Br ZINC000867518838 672329930 /nfs/dbraw/zinc/32/99/30/672329930.db2.gz HXPGETCXOCYJFG-DTWKUNHWSA-N -1 3 350.238 0.764 10 0 FCAEHM COC(=O)[C@H](CCC1OCCO1)[N-]S(=O)(=O)CCc1cccs1 ZINC000867762526 672364678 /nfs/dbraw/zinc/36/46/78/672364678.db2.gz FCLFBHCDSPNZMB-LBPRGKRZSA-N -1 3 363.457 0.905 10 0 FCAEHM COC(=O)[C@@H](CCC1OCCO1)[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000867762980 672364763 /nfs/dbraw/zinc/36/47/63/672364763.db2.gz OCTJNTNXVNINBS-GFCCVEGCSA-N -1 3 365.354 0.938 10 0 FCAEHM COC(=O)[C@H](CCC1OCCO1)[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000867762981 672364854 /nfs/dbraw/zinc/36/48/54/672364854.db2.gz OCTJNTNXVNINBS-LBPRGKRZSA-N -1 3 365.354 0.938 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H]2CCCCN(C)C2=O)ccc1F ZINC000870604430 672498945 /nfs/dbraw/zinc/49/89/45/672498945.db2.gz NVIXGNXCPJLGHT-ZDUSSCGKSA-N -1 3 371.434 0.817 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]C[C@@]1(C(F)(F)F)CCCN1)[C@H]1CCOC1 ZINC000923685731 673466422 /nfs/dbraw/zinc/46/64/22/673466422.db2.gz NKIAKCPUNFUBJH-QJPTWQEYSA-N -1 3 360.398 0.642 10 0 FCAEHM CCN1CC[C@@H](NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C1=O ZINC000801785117 675808289 /nfs/dbraw/zinc/80/82/89/675808289.db2.gz BELKOGYWHVAOFI-CYBMUJFWSA-N -1 3 369.418 0.617 10 0 FCAEHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NC[C@@](C)(O)CO)ccc1F ZINC000801976164 675815930 /nfs/dbraw/zinc/81/59/30/675815930.db2.gz PLIJMPFRJZBWNG-OAHLLOKOSA-N -1 3 362.423 0.376 10 0 FCAEHM COCC1(C(=O)N2C[C@H]3CCN(C(=O)c4cnc[n-]c4=O)C[C@H]3C2)CC1 ZINC001719579045 1168314728 /nfs/dbraw/zinc/31/47/28/1168314728.db2.gz TTXPIPQPCMFPSQ-OLZOCXBDSA-N -1 3 360.414 0.529 10 0 FCAEHM C[C@](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)(NC(=O)c1cnc[n-]c1=O)C1CC1 ZINC001746280886 1192384862 /nfs/dbraw/zinc/38/48/62/1192384862.db2.gz BPAGYUAOYKQNGQ-WHWFDMMISA-N -1 3 372.425 0.620 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)CCc2ccccn2)CCN1C(=O)c1cnc[n-]c1=O ZINC001719624103 1170710644 /nfs/dbraw/zinc/71/06/44/1170710644.db2.gz HMINLVKKHHKZGJ-DOMZBBRYSA-N -1 3 355.398 0.929 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CCNC(=O)[C@]12C[C@H]1COC2 ZINC001719757742 1179896967 /nfs/dbraw/zinc/89/69/67/1179896967.db2.gz UWJWBZCWUCQJFI-SDFXEEBMSA-N -1 3 360.414 0.433 10 0 FCAEHM CO[C@H](C)CC(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2cnc[n-]c2=O)C1 ZINC001719759879 1179898781 /nfs/dbraw/zinc/89/87/81/1179898781.db2.gz XRYGTZUQXKXPEM-JHJVBQTASA-N -1 3 350.419 0.822 10 0 FCAEHM CCN(CCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C(=O)c1c(C)nc[n-]c1=O ZINC001745344686 1182084803 /nfs/dbraw/zinc/08/48/03/1182084803.db2.gz RJZDHMOXXDHJEF-KCQAQPDRSA-N -1 3 362.430 0.884 10 0 FCAEHM CN(C)c1nc(C(=O)NCc2ccc(Cn3cncn3)cc2)cc(=O)[n-]1 ZINC000549213533 1182563733 /nfs/dbraw/zinc/56/37/33/1182563733.db2.gz DZORNXSDXQUTKH-UHFFFAOYSA-N -1 3 353.386 0.818 10 0 FCAEHM C[C@H]1CN(CCNC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)[C@@H](C)CO1 ZINC001687391237 1188352821 /nfs/dbraw/zinc/35/28/21/1188352821.db2.gz WDSCAEWZUBMXGU-RYUDHWBXSA-N -1 3 365.434 0.163 10 0 FCAEHM CC(C)[C@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)NCc1nc(=O)n(C)[n-]1 ZINC001482543146 1190758757 /nfs/dbraw/zinc/75/87/57/1190758757.db2.gz BJDMERJSCNEJQV-PWNZVWSESA-N -1 3 351.451 0.154 10 0 FCAEHM COC(=O)c1ccc(C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)n1C ZINC000552526495 1193939856 /nfs/dbraw/zinc/93/98/56/1193939856.db2.gz DKHLHNBNYBSMGT-UHFFFAOYSA-N -1 3 358.354 0.960 10 0 FCAEHM CN1CCN(c2cccc(C(=O)N3CCC[C@H](c4nnn[n-]4)C3)n2)CC1 ZINC000553394514 1193993999 /nfs/dbraw/zinc/99/39/99/1193993999.db2.gz QBABNBBWXIXINJ-ZDUSSCGKSA-N -1 3 356.434 0.366 10 0 FCAEHM CN1CCN(c2cccc(C(=O)N3CCC[C@H](c4nn[n-]n4)C3)n2)CC1 ZINC000553394514 1193994003 /nfs/dbraw/zinc/99/40/03/1193994003.db2.gz QBABNBBWXIXINJ-ZDUSSCGKSA-N -1 3 356.434 0.366 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000898735568 1194072784 /nfs/dbraw/zinc/07/27/84/1194072784.db2.gz WGMAUTAWIXTJAU-QWRGUYRKSA-N -1 3 364.352 0.946 10 0 FCAEHM CCOCCn1cc(C(=O)N2CCN(c3nc(C)cc(=O)[n-]3)CC2)cn1 ZINC000899494923 1194162054 /nfs/dbraw/zinc/16/20/54/1194162054.db2.gz NBPFILNLKJTIQU-UHFFFAOYSA-N -1 3 360.418 0.686 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)CCC(=O)NC3CCCC3)CC2)n1 ZINC000899499779 1194163571 /nfs/dbraw/zinc/16/35/71/1194163571.db2.gz RRYAZAVSEOSNHH-UHFFFAOYSA-N -1 3 361.446 0.978 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)CC2)n1 ZINC000899502326 1194164974 /nfs/dbraw/zinc/16/49/74/1194164974.db2.gz OVZSIYLWGNNVAV-AWEZNQCLSA-N -1 3 373.457 0.930 10 0 FCAEHM COc1ccnc(N2CCN(C(=O)c3cc4c(cc3[O-])OCO4)CC2)n1 ZINC000436669371 1195545246 /nfs/dbraw/zinc/54/52/46/1195545246.db2.gz KPIFRVZYRWAYCQ-UHFFFAOYSA-N -1 3 358.354 0.882 10 0 FCAEHM COCc1nc([C@H]2COCCN2C(=O)c2cc3c(cc2[O-])OCO3)no1 ZINC000436968693 1195618339 /nfs/dbraw/zinc/61/83/39/1195618339.db2.gz VQJJWFZGGVTWMD-SNVBAGLBSA-N -1 3 363.326 0.864 10 0 FCAEHM C[C@]1(C(=O)[O-])CN(C(=O)CCN2CCN(c3ccccc3)CC2)CCO1 ZINC000910322644 1195812222 /nfs/dbraw/zinc/81/22/22/1195812222.db2.gz JDAIHMPBPZEEHK-LJQANCHMSA-N -1 3 361.442 0.901 10 0 FCAEHM O=C(NC12CCN(CC1)C2)c1cccc(C(=O)NC23CCN(CC2)C3)c1[O-] ZINC000913633480 1197095679 /nfs/dbraw/zinc/09/56/79/1197095679.db2.gz GQCQJLFWTBPHBT-UHFFFAOYSA-N -1 3 370.453 0.548 10 0 FCAEHM Cc1cc(N2CC[C@@H](OC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)C2=O)n(C)n1 ZINC000744966323 1198341875 /nfs/dbraw/zinc/34/18/75/1198341875.db2.gz DPNTZCBWUFKOQD-CYBMUJFWSA-N -1 3 368.349 0.574 10 0 FCAEHM CCOC(=O)[C@@H](NC(=O)c1cc2c(cc1[O-])OCO2)[C@H](O)c1ccncc1 ZINC001169735778 1199089693 /nfs/dbraw/zinc/08/96/93/1199089693.db2.gz OACDPNNSFSECRT-JKSUJKDBSA-N -1 3 374.349 0.911 10 0 FCAEHM Cn1cnc2c1c(=O)n(CCCOC(=O)c1cc3occc3[n-]1)c(=O)n2C ZINC000786031221 1200816826 /nfs/dbraw/zinc/81/68/26/1200816826.db2.gz JQFCKVUMKBDKLD-UHFFFAOYSA-N -1 3 371.353 0.755 10 0 FCAEHM CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1nnc2ccccc2c1[O-] ZINC000787662303 1200897762 /nfs/dbraw/zinc/89/77/62/1200897762.db2.gz PIEIKEWSUFOBPD-UWVGGRQHSA-N -1 3 360.370 0.522 10 0 FCAEHM COC(=O)NCc1ccc(NC(=O)C(=O)NCc2ncccc2[O-])cc1 ZINC000792414323 1201192945 /nfs/dbraw/zinc/19/29/45/1201192945.db2.gz ZGCNKBMWEYXPFM-UHFFFAOYSA-N -1 3 358.354 0.898 10 0 FCAEHM COc1cccc2c(C(=O)O[C@H](C)C(=O)N(C)CC(=O)NC3CC3)n[n-]c21 ZINC000808673761 1202893971 /nfs/dbraw/zinc/89/39/71/1202893971.db2.gz TXDHLGCBRGZRCC-SNVBAGLBSA-N -1 3 374.397 0.854 10 0 FCAEHM COc1cccc2c1n[n-]c2C(=O)O[C@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000808673761 1202893972 /nfs/dbraw/zinc/89/39/72/1202893972.db2.gz TXDHLGCBRGZRCC-SNVBAGLBSA-N -1 3 374.397 0.854 10 0 FCAEHM O=C(c1ccc(N2NC(=O)CCC2=O)cc1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001144502922 1204542263 /nfs/dbraw/zinc/54/22/63/1204542263.db2.gz PUZNRSOURPJUJO-GFCCVEGCSA-N -1 3 369.381 0.903 10 0 FCAEHM CCO[N-]C(=O)C(=O)Nc1ccc(OCCCN2CCN(C)CC2)cc1 ZINC000845946097 1204571951 /nfs/dbraw/zinc/57/19/51/1204571951.db2.gz NBTVCHAZMWEKOV-UHFFFAOYSA-N -1 3 364.446 0.709 10 0 FCAEHM CC(C)(C)c1nnc2n1CCN(C(=O)c1ccc(-c3nnn[n-]3)cn1)C2 ZINC001148489790 1204833902 /nfs/dbraw/zinc/83/39/02/1204833902.db2.gz MRILKBKQLSKGLZ-UHFFFAOYSA-N -1 3 353.390 0.807 10 0 FCAEHM CC(C)(C)c1nnc2n1CCN(C(=O)c1ccc(-c3nn[n-]n3)cn1)C2 ZINC001148489790 1204833905 /nfs/dbraw/zinc/83/39/05/1204833905.db2.gz MRILKBKQLSKGLZ-UHFFFAOYSA-N -1 3 353.390 0.807 10 0 FCAEHM C[C@@]1(C2CCN(C(=O)c3ccc(-c4nnn[n-]4)cn3)CC2)COC(=O)N1 ZINC001178032313 1206351859 /nfs/dbraw/zinc/35/18/59/1206351859.db2.gz OYUVFBCGAIDUAW-INIZCTEOSA-N -1 3 357.374 0.612 10 0 FCAEHM C[C@@]1(C2CCN(C(=O)c3ccc(-c4nn[n-]n4)cn3)CC2)COC(=O)N1 ZINC001178032313 1206351861 /nfs/dbraw/zinc/35/18/61/1206351861.db2.gz OYUVFBCGAIDUAW-INIZCTEOSA-N -1 3 357.374 0.612 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccc(N2CCNC2=O)cc1 ZINC001180027149 1206387763 /nfs/dbraw/zinc/38/77/63/1206387763.db2.gz FIIDVVYLMXGDML-ZDUSSCGKSA-N -1 3 368.397 0.721 10 0 FCAEHM CC[C@@H](C)OCC(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]2C1 ZINC001489181234 1208650262 /nfs/dbraw/zinc/65/02/62/1208650262.db2.gz GDVHKHBJKXMKTH-MCIONIFRSA-N -1 3 351.451 0.204 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@H]1CCN(CC(=O)N[C@@H](C)C(C)C)[C@@H]1C ZINC001489285414 1208716507 /nfs/dbraw/zinc/71/65/07/1208716507.db2.gz IFJZTSCCXUHITA-YUTCNCBUSA-N -1 3 363.462 0.844 10 0 FCAEHM CCOCC(=O)N1C[C@@H](C)[C@H](NC(=O)c2nnc3ccccc3c2[O-])C1 ZINC001489495538 1208890820 /nfs/dbraw/zinc/89/08/20/1208890820.db2.gz AIYYULDGIPMWNJ-BXUZGUMPSA-N -1 3 358.398 0.949 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)C(C)(C)C(N)=O)CCN1C(=O)c1c(C)nc[n-]c1=O ZINC001490003497 1209206618 /nfs/dbraw/zinc/20/66/18/1209206618.db2.gz MJWFBHJBRFWNGC-WDEREUQCSA-N -1 3 363.418 0.111 10 0 FCAEHM CCO[C@@H](C)C(=O)N[C@H]1CCN(C(=O)CCc2c(C)nc[n-]c2=O)[C@@H]1C ZINC001490075079 1209213371 /nfs/dbraw/zinc/21/33/71/1209213371.db2.gz SFEKIDUIXPHPTC-IPYPFGDCSA-N -1 3 364.446 0.954 10 0 FCAEHM CC[C@@H](OC)C(=O)N[C@H]1CCN(C(=O)CCc2c(C)nc[n-]c2=O)[C@@H]1C ZINC001490080224 1209245440 /nfs/dbraw/zinc/24/54/40/1209245440.db2.gz XPRDAMUMBNAWRX-VHDGCEQUSA-N -1 3 364.446 0.954 10 0 FCAEHM CCO[C@H](C(=O)N[C@H]1CCN(C(=O)c2cnc[n-]c2=O)[C@@H]1C)C(C)C ZINC001490092972 1209251543 /nfs/dbraw/zinc/25/15/43/1209251543.db2.gz OPOQWOQELLRDSD-XBFCOCLRSA-N -1 3 350.419 0.963 10 0 FCAEHM CCCN(C)CC(=O)N1C[C@@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@]2(C)C1 ZINC001490218113 1209288712 /nfs/dbraw/zinc/28/87/12/1209288712.db2.gz QUFGMBDTAKXXBM-ACJLOTCBSA-N -1 3 363.462 0.686 10 0 FCAEHM CCNC(=O)CC(=O)N1C[C@H]2CN(C(=O)c3ccccc3[O-])C[C@@]2(C)C1 ZINC001490217755 1209288844 /nfs/dbraw/zinc/28/88/44/1209288844.db2.gz DQXICPIMQHLBCU-ORAYPTAESA-N -1 3 359.426 0.839 10 0 FCAEHM COCC(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001490429930 1209351915 /nfs/dbraw/zinc/35/19/15/1209351915.db2.gz GYQUAARJQVXYDH-DGCLKSJQSA-N -1 3 362.430 0.920 10 0 FCAEHM COC[C@@H](OC)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3n[n-]nc31)C2 ZINC001490618374 1209390428 /nfs/dbraw/zinc/39/04/28/1209390428.db2.gz AOGVJXGTGGEPMY-SDJAHQOYSA-N -1 3 373.413 0.481 10 0 FCAEHM COC(=O)C12CC(C1)CN2C(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC000855521298 1209673638 /nfs/dbraw/zinc/67/36/38/1209673638.db2.gz AFKBJIWMOGUUDM-UHFFFAOYSA-N -1 3 373.340 0.652 10 0 FCAEHM COC(=O)C12CC(C1)CN2C(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000855521298 1209673640 /nfs/dbraw/zinc/67/36/40/1209673640.db2.gz AFKBJIWMOGUUDM-UHFFFAOYSA-N -1 3 373.340 0.652 10 0 FCAEHM COC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])O1 ZINC000861698901 1209874645 /nfs/dbraw/zinc/87/46/45/1209874645.db2.gz SMNCXLCTWPXNQW-DNIRFERGSA-N -1 3 365.386 0.587 10 0 FCAEHM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccccc1[O-])S(C)(=O)=O ZINC001490828598 1211447229 /nfs/dbraw/zinc/44/72/29/1211447229.db2.gz RMIGDHMJTBRVIR-OXHZDVMGSA-N -1 3 366.439 0.687 10 0 FCAEHM CC1(C)CN(C(=O)CN2CCN(C(=O)c3ccc([O-])cc3)CC2)CCO1 ZINC000929873025 1211667562 /nfs/dbraw/zinc/66/75/62/1211667562.db2.gz LKILAXSDYZCEMD-UHFFFAOYSA-N -1 3 361.442 0.787 10 0 FCAEHM C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000930491172 1211709850 /nfs/dbraw/zinc/70/98/50/1211709850.db2.gz NYIXIMOZENOCKD-QLJPJBMISA-N -1 3 367.396 0.928 10 0 FCAEHM CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)CCCc2nnn[n-]2)C1 ZINC000636241924 1213023000 /nfs/dbraw/zinc/02/30/00/1213023000.db2.gz GUQPBBANZUPADX-INIZCTEOSA-N -1 3 357.462 0.455 10 0 FCAEHM CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)CCCc2nn[n-]n2)C1 ZINC000636241924 1213023008 /nfs/dbraw/zinc/02/30/08/1213023008.db2.gz GUQPBBANZUPADX-INIZCTEOSA-N -1 3 357.462 0.455 10 0 FCAEHM O=C(NCCNC(=O)[C@@H]1CC(c2ccccn2)=NO1)c1ccc([O-])cc1 ZINC001137463400 1216642360 /nfs/dbraw/zinc/64/23/60/1216642360.db2.gz IYSGJUPWTGCCQP-INIZCTEOSA-N -1 3 354.366 0.826 10 0 FCAEHM Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)cn1 ZINC001118384314 1221771827 /nfs/dbraw/zinc/77/18/27/1221771827.db2.gz OCJFDQHBNCHGMO-VHDGCEQUSA-N -1 3 373.461 0.685 10 0 FCAEHM CCN1CCN(C[C@H](C)CNC(=O)N2C[C@@H](OC)C[C@@]2(C)C(=O)[O-])CC1 ZINC001119638805 1221943629 /nfs/dbraw/zinc/94/36/29/1221943629.db2.gz SFUCQQGZVKUXKC-VKJFTORMSA-N -1 3 370.494 0.534 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCN(CC(F)(F)CO)CC2)c1 ZINC001123824864 1222360077 /nfs/dbraw/zinc/36/00/77/1222360077.db2.gz QAKWGZXVRGPBEQ-UHFFFAOYSA-N -1 3 369.368 0.902 10 0 FCAEHM COc1ccc(C(=O)NCCCC(=O)NCCCc2c[n-][nH]c2=O)cc1 ZINC001149261795 1222881170 /nfs/dbraw/zinc/88/11/70/1222881170.db2.gz FCCVGYPESYHXCO-AWEZNQCLSA-N -1 3 360.414 0.833 10 0 FCAEHM Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)NCCCc1c[n-][nH]c1=O ZINC001149263197 1222881366 /nfs/dbraw/zinc/88/13/66/1222881366.db2.gz RPSINLYCNRMSKH-DZGCQCFKSA-N -1 3 373.392 0.533 10 0 FCAEHM O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001164348133 1223237834 /nfs/dbraw/zinc/23/78/34/1223237834.db2.gz GJHJFJOOYAIRSL-NSHDSACASA-N -1 3 373.394 0.228 10 0 FCAEHM O=C(N[C@H](CNCc1cc(=O)n2[n-]ccc2n1)C1CC1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001276664823 1223641104 /nfs/dbraw/zinc/64/11/04/1223641104.db2.gz HNWDUWKWTBORKD-FPCVCCKLSA-N -1 3 371.441 0.575 10 0 FCAEHM CCC(=O)N[C@H](C)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001515069412 1265416083 /nfs/dbraw/zinc/41/60/83/1265416083.db2.gz FSQNCGXMWNFODJ-GRYCIOLGSA-N -1 3 363.418 0.112 10 0 FCAEHM COc1ccc(OC)c2c1CN(C(=O)c1cc(=O)[n-]c(N(C)C)n1)C[C@H]2O ZINC000766001073 1245305149 /nfs/dbraw/zinc/30/51/49/1245305149.db2.gz OJBYWKRJNPUHIB-GFCCVEGCSA-N -1 3 374.397 0.955 10 0 FCAEHM CCN1CCN(c2nnc(-c3cnc[n-]c3=O)n2C[C@H]2CCOC2)CC1 ZINC001519687987 1265751375 /nfs/dbraw/zinc/75/13/75/1265751375.db2.gz RORNOBPUCVBGBB-CYBMUJFWSA-N -1 3 359.434 0.619 10 0 FCAEHM CC(C)n1cnc(NC(=O)C(=O)NCCNC(=O)c2ccc([O-])cc2)n1 ZINC001329648618 1265798902 /nfs/dbraw/zinc/79/89/02/1265798902.db2.gz RWPYVOISPSBZKY-UHFFFAOYSA-N -1 3 360.374 0.049 10 0 FCAEHM COc1cnc(C2(NC(=O)[C@H](C)N3CCN(C)CC3)CCCC2)[n-]c1=O ZINC001520784031 1265999498 /nfs/dbraw/zinc/99/94/98/1265999498.db2.gz WBYPMAQLGQVZOL-ZDUSSCGKSA-N -1 3 363.462 0.712 10 0 FCAEHM NC(=O)CC1CC(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC001248610446 1259713862 /nfs/dbraw/zinc/71/38/62/1259713862.db2.gz ZBMDGJZMEQWPMJ-UHFFFAOYSA-N -1 3 360.414 0.514 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)N(CCOCCO)C1CCC1 ZINC001251451176 1259749164 /nfs/dbraw/zinc/74/91/64/1259749164.db2.gz QSUWEFHTMMRTAI-ZDUSSCGKSA-N -1 3 365.434 0.334 10 0 FCAEHM CCC1(N2CCOCC2)CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)CC1 ZINC001331763332 1266282608 /nfs/dbraw/zinc/28/26/08/1266282608.db2.gz XMLJGMSZNQEUDP-CQSZACIVSA-N -1 3 367.446 0.023 10 0 FCAEHM Cn1cnc(CCNC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC001251741518 1259757051 /nfs/dbraw/zinc/75/70/51/1259757051.db2.gz GETYOSVEZWHJRF-UHFFFAOYSA-N -1 3 357.414 0.836 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnsn2)C[C@H]1CCNC(=O)c1cnc[n-]c1=O ZINC001522004067 1266291796 /nfs/dbraw/zinc/29/17/96/1266291796.db2.gz NPIARVDCLASXSX-NXEZZACHSA-N -1 3 362.415 0.562 10 0 FCAEHM O=C(N[C@@H]1CC(=O)N(CC2CC2)C1)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001254652241 1259891358 /nfs/dbraw/zinc/89/13/58/1259891358.db2.gz HVVONRVSPUQQAB-QWHCGFSZSA-N -1 3 360.418 0.071 10 0 FCAEHM Cc1cn2c(n1)C[C@@H](C(=O)N1CCN(c3nc(C)cc(=O)[n-]3)CC1)CC2 ZINC001331887626 1266300529 /nfs/dbraw/zinc/30/05/29/1266300529.db2.gz YSSZJOVLJKTKGQ-AWEZNQCLSA-N -1 3 356.430 0.907 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NCCC[C@H](C)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001336235688 1260053240 /nfs/dbraw/zinc/05/32/40/1260053240.db2.gz LDGIXDWCMFKSAT-FEUBFEEPSA-N -1 3 374.441 0.929 10 0 FCAEHM CC(C)(C)/C=C/C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC001281672709 1261142328 /nfs/dbraw/zinc/14/23/28/1261142328.db2.gz PLPGZOARLHVJHW-GODNBWANSA-N -1 3 357.414 0.862 10 0 FCAEHM CCO[C@H](C)C(=O)N1CC[C@@H]2CN(C(=O)c3c(C)nc[n-]c3=O)C[C@@H]2C1 ZINC001282302364 1261409506 /nfs/dbraw/zinc/40/95/06/1261409506.db2.gz KMZKDWYLWYAUBL-MCIONIFRSA-N -1 3 362.430 0.836 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)CCc2nccn2C)CCN1C(=O)c1cnc[n-]c1=O ZINC001282375812 1261435755 /nfs/dbraw/zinc/43/57/55/1261435755.db2.gz GGJNWZVVGNFRPJ-YPMHNXCESA-N -1 3 358.402 0.268 10 0 FCAEHM COCCCn1nc(C(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)ccc1=O ZINC001472110035 1261437316 /nfs/dbraw/zinc/43/73/16/1261437316.db2.gz BDXYDKDKYKOABN-QMMMGPOBSA-N -1 3 374.323 0.908 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccnc(-n2ccnc2)c1 ZINC001472253533 1261455861 /nfs/dbraw/zinc/45/58/61/1261455861.db2.gz OOTGSCLHWOBBEY-CYBMUJFWSA-N -1 3 351.370 0.772 10 0 FCAEHM C[C@]1(C2CCN(C(=O)c3ccc4c(c3)C(=O)[N-]C4=O)CC2)COC(=O)N1 ZINC001472620888 1261479191 /nfs/dbraw/zinc/47/91/91/1261479191.db2.gz XDMAMJKHIIYLEY-GOSISDBHSA-N -1 3 357.366 0.921 10 0 FCAEHM COCC1(C(=O)N2C[C@@H](CNC(=O)c3cnc[n-]c3=O)[C@H](C)C2)CCC1 ZINC001282489685 1261481539 /nfs/dbraw/zinc/48/15/39/1261481539.db2.gz BAGHPAQCDHODJF-CHWSQXEVSA-N -1 3 362.430 0.823 10 0 FCAEHM C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1CCNC(=O)c1ccccc1[O-] ZINC001282523745 1261505123 /nfs/dbraw/zinc/50/51/23/1261505123.db2.gz OOFFECQUMRTAGK-UMVBOHGHSA-N -1 3 359.426 0.885 10 0 FCAEHM C[C@@H]1CN(C(=O)Cc2ccc[nH]2)C[C@H]1CCNC(=O)c1cnc[n-]c1=O ZINC001282546950 1261521829 /nfs/dbraw/zinc/52/18/29/1261521829.db2.gz XIBXHEZDKSYWQU-CHWSQXEVSA-N -1 3 357.414 0.967 10 0 FCAEHM CCOCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(=O)[n-]c(C3CC3)n1)C2 ZINC001282644828 1261566643 /nfs/dbraw/zinc/56/66/43/1261566643.db2.gz LGQOSNDMGONVPV-DYEKYZERSA-N -1 3 360.414 0.958 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@H](NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C1CC1 ZINC001283957548 1261723877 /nfs/dbraw/zinc/72/38/77/1261723877.db2.gz JLGZLNQNWCNDNV-RZLSGREXSA-N -1 3 374.441 0.930 10 0 FCAEHM C[C@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001284339962 1261751065 /nfs/dbraw/zinc/75/10/65/1261751065.db2.gz PYTBNPZGFOZNOR-VGKMCQHDSA-N -1 3 371.393 0.372 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N(C)[C@@H](C)CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001285780942 1261877300 /nfs/dbraw/zinc/87/73/00/1261877300.db2.gz QWGIQUQPVNSKBP-ZBINZKHDSA-N -1 3 362.430 0.882 10 0 FCAEHM C[C@]1(CNC(=O)[C@H]2C[C@H]2C(N)=O)CCCN(C(=O)c2ccccc2[O-])C1 ZINC001286167354 1261921441 /nfs/dbraw/zinc/92/14/41/1261921441.db2.gz QJDKCBJBEHJMLH-BIENJYKASA-N -1 3 359.426 0.872 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)N1CC[C@](O)(CNC(=O)c2ccccc2[O-])C1 ZINC001286177669 1261921746 /nfs/dbraw/zinc/92/17/46/1261921746.db2.gz DXZSQCNPCPDHOH-ALKREAHSSA-N -1 3 362.426 0.901 10 0 FCAEHM CN(C(=O)[C@@H]1C[C@H]1c1c[nH]cn1)[C@H](CNC(=O)c1cnc[n-]c1=O)C1CC1 ZINC001287527252 1261960717 /nfs/dbraw/zinc/96/07/17/1261960717.db2.gz KBVMUWSQCHYHGT-LALPHHSUSA-N -1 3 370.413 0.676 10 0 FCAEHM CN(C[C@@H](O)CNC(=O)c1cccc2n[n-]nc21)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001288087012 1261995720 /nfs/dbraw/zinc/99/57/20/1261995720.db2.gz YAVJBQKGUDGDQG-AEGPPILISA-N -1 3 371.441 0.943 10 0 FCAEHM CC(C)(C)[C@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NC(=O)c1cnc[n-]c1=O ZINC001288217862 1262011650 /nfs/dbraw/zinc/01/16/50/1262011650.db2.gz YTHMXVRSNXBNSX-JPNYFKRKSA-N -1 3 374.441 0.866 10 0 FCAEHM CC[C@H](C)OCC(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1OC ZINC001289466335 1262212130 /nfs/dbraw/zinc/21/21/30/1262212130.db2.gz PGCNJWNQHXNFHS-CYZMBNFOSA-N -1 3 366.418 0.261 10 0 FCAEHM CC[C@H](C)OCC(=O)N1C[C@@H](NC(=O)c2c(C)nc[n-]c2=O)[C@H](OC)C1 ZINC001289529303 1262240241 /nfs/dbraw/zinc/24/02/41/1262240241.db2.gz HISXXWZOYYZTNP-CYZMBNFOSA-N -1 3 366.418 0.261 10 0 FCAEHM Cc1cnc(COCC(=O)NC[C@H]2CC[C@@H](NC(=O)c3cn[n-]n3)C2)o1 ZINC001290184724 1262397271 /nfs/dbraw/zinc/39/72/71/1262397271.db2.gz UMLCCDRDGYUBBL-NWDGAFQWSA-N -1 3 362.390 0.333 10 0 FCAEHM CC[C@@H](NC(C)=O)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001290225727 1262404622 /nfs/dbraw/zinc/40/46/22/1262404622.db2.gz HYBPLTHJLSJLCW-OUCADQQQSA-N -1 3 363.418 0.112 10 0 FCAEHM COCCOCC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)c1cnc[n-]c1=O ZINC001290321657 1262427148 /nfs/dbraw/zinc/42/71/48/1262427148.db2.gz OLTYZMDADCFZPA-OLZOCXBDSA-N -1 3 366.418 0.202 10 0 FCAEHM COCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c(C)nc[n-]c1=O ZINC001292062235 1262637884 /nfs/dbraw/zinc/63/78/84/1262637884.db2.gz YQWMMZAEGHTPMT-UPJWGTAASA-N -1 3 364.402 0.015 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)CN1CC[C@H](c2ccccc2)NC1=O ZINC001292969247 1262706840 /nfs/dbraw/zinc/70/68/40/1262706840.db2.gz FAMCNSVNLBQLHJ-LSDHHAIUSA-N -1 3 357.414 0.771 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1 ZINC001292969529 1262706848 /nfs/dbraw/zinc/70/68/48/1262706848.db2.gz KVHRCJXDWBQESN-ZDUSSCGKSA-N -1 3 359.361 0.937 10 0 FCAEHM O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001300193861 1262985176 /nfs/dbraw/zinc/98/51/76/1262985176.db2.gz MJJLYAZAFBVBEX-LLVKDONJSA-N -1 3 369.381 0.937 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC001301561556 1263011868 /nfs/dbraw/zinc/01/18/68/1263011868.db2.gz NAEXFYAGLCDMLX-KBPBESRZSA-N -1 3 363.462 0.979 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)N[C@@H]1Cc2ccccc2NC1=O ZINC001479506274 1263233255 /nfs/dbraw/zinc/23/32/55/1263233255.db2.gz CXSSTOJXDBZAOR-GXTWGEPZSA-N -1 3 368.397 0.624 10 0 FCAEHM CC(C)N(CCS(C)(=O)=O)C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001479507213 1263233952 /nfs/dbraw/zinc/23/39/52/1263233952.db2.gz IGJMBEQZUQSJKB-LBPRGKRZSA-N -1 3 371.463 0.226 10 0 FCAEHM Cn1nncc1CNCc1cc(=O)[n-]c(CNC(=O)C[C@@H]2C[C@H]2C2CC2)n1 ZINC001479607267 1263271534 /nfs/dbraw/zinc/27/15/34/1263271534.db2.gz PGXSBZWAMMJKBK-WFASDCNBSA-N -1 3 371.445 0.653 10 0 FCAEHM C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)N(C)C(=O)c1nnc2ccccc2c1[O-] ZINC001487005193 1263569246 /nfs/dbraw/zinc/56/92/46/1263569246.db2.gz XFRXVQXMTLEIMD-WCQGTBRESA-N -1 3 371.397 0.034 10 0 FCAEHM Cc1cccc([C@@H]2C[C@H]2C(=O)NC/C=C/CNCc2nc(=O)n(C)[n-]2)c1 ZINC001321291404 1263931415 /nfs/dbraw/zinc/93/14/15/1263931415.db2.gz RITKTPUTRYKQSI-MEGKRXCUSA-N -1 3 355.442 0.983 10 0 FCAEHM O=C(NCCN(C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C1CC1)c1cnc[n-]c1=O ZINC001497470861 1263934977 /nfs/dbraw/zinc/93/49/77/1263934977.db2.gz QMLLHHYLVNEHQT-CORIIIEPSA-N -1 3 360.414 0.718 10 0 FCAEHM COc1ccc([C@@H]2C[C@H]2C(=O)NC/C=C/CNCc2nc(=O)n(C)[n-]2)cc1 ZINC001497695583 1263949663 /nfs/dbraw/zinc/94/96/63/1263949663.db2.gz BMTNGTODIHOHND-MEGKRXCUSA-N -1 3 371.441 0.683 10 0 FCAEHM C[C@@H](CNCc1cc(=O)n2[n-]ccc2n1)NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001498073438 1263963795 /nfs/dbraw/zinc/96/37/95/1263963795.db2.gz MIMMNYGBLVOTMT-MYLCLEHYSA-N -1 3 359.430 0.432 10 0 FCAEHM CN1C(=O)C[C@@H](C(=O)N2CCc3nc[n-]c(=O)c3C2)[C@@H]1c1cccnc1 ZINC001321542061 1263988354 /nfs/dbraw/zinc/98/83/54/1263988354.db2.gz IAIZPVQPTNFWIR-WBMJQRKESA-N -1 3 353.382 0.682 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)C2CCN(c3cnccn3)CC2)[n-]1 ZINC001321793462 1264064678 /nfs/dbraw/zinc/06/46/78/1264064678.db2.gz FITFAGDRDOHYQD-UHFFFAOYSA-N -1 3 359.390 0.304 10 0 FCAEHM CCCC[C@H](CNCc1nc(=O)n(C)[n-]1)NC(=O)[C@]12CCC[C@H]1OCC2 ZINC001506540442 1264325699 /nfs/dbraw/zinc/32/56/99/1264325699.db2.gz SJYLQVBHMSROIC-LBTNJELSSA-N -1 3 365.478 0.832 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@H](C)N(C)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001509031962 1264432302 /nfs/dbraw/zinc/43/23/02/1264432302.db2.gz XEWCMGYCSCCCJS-ZBINZKHDSA-N -1 3 362.430 0.882 10 0 FCAEHM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@H](CO)CNC(=O)c1cccc2n[n-]nc21 ZINC001510952254 1264520664 /nfs/dbraw/zinc/52/06/64/1264520664.db2.gz LIEYWVQZUJXDHU-CYZMBNFOSA-N -1 3 359.430 0.847 10 0 FCAEHM CCCCO[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1O ZINC001512899063 1264722114 /nfs/dbraw/zinc/72/21/14/1264722114.db2.gz RJVQAPJWIMSRAQ-XNRPHZJLSA-N -1 3 350.415 0.899 10 0 FCAEHM CC[C@@H](C)CCC(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1O ZINC001513041370 1264881710 /nfs/dbraw/zinc/88/17/10/1264881710.db2.gz NOVQUTQFSJDRDT-RAIGVLPGSA-N -1 3 350.419 0.618 10 0 FCAEHM CCOCC(=O)N[C@@H]1CN(C(=O)c2nnc3ccccc3c2[O-])C[C@H]1C ZINC001513127696 1264927390 /nfs/dbraw/zinc/92/73/90/1264927390.db2.gz RLFCNGLBERIZHE-BXUZGUMPSA-N -1 3 358.398 0.949 10 0 FCAEHM CN(C)CCN(Cc1ccco1)C(=O)C(=O)Nc1cccnc1C(=O)[O-] ZINC001333516220 1266618618 /nfs/dbraw/zinc/61/86/18/1266618618.db2.gz RMTXOVHVLYYNSF-UHFFFAOYSA-N -1 3 360.370 0.902 10 0 FCAEHM CO[C@@H](C(=O)[O-])C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC001334026006 1266785931 /nfs/dbraw/zinc/78/59/31/1266785931.db2.gz RPUXVJVNFHOMBS-LSDHHAIUSA-N -1 3 363.414 0.891 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]Cc1noc2c1COCC2)C1CCOCC1 ZINC001334318904 1266944905 /nfs/dbraw/zinc/94/49/05/1266944905.db2.gz FWFNCYPIIGVVOS-OAHLLOKOSA-N -1 3 360.432 0.608 10 0 FCAEHM CCN(CCNC(=O)c1cnc[n-]c1=O)C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001528917753 1267009728 /nfs/dbraw/zinc/00/97/28/1267009728.db2.gz JLUOJEQRZIBXSC-UONOGXRCSA-N -1 3 362.430 0.823 10 0 FCAEHM O=C(NC1(CCO)CN(C(=O)[C@@H]2C[C@H]2C2CCC2)C1)c1cnc[n-]c1=O ZINC001334636758 1267116968 /nfs/dbraw/zinc/11/69/68/1267116968.db2.gz BHLWRFJBWVZHFK-QWHCGFSZSA-N -1 3 360.414 0.312 10 0 FCAEHM CCS(=O)(=O)CC(=O)Nc1ncc(S(=O)(=O)[N-]C(C)(C)C)s1 ZINC001535300634 1267288970 /nfs/dbraw/zinc/28/89/70/1267288970.db2.gz WAZIFYLEWWQPAX-UHFFFAOYSA-N -1 3 369.490 0.593 10 0 FCAEHM O=C(NCC1(NC(=O)[C@]23C[C@H]2COC3)CC1)c1nnc2ccccc2c1[O-] ZINC001536031907 1267315048 /nfs/dbraw/zinc/31/50/48/1267315048.db2.gz KCLJQOBLDPGQJW-WLRWDXFRSA-N -1 3 368.393 0.751 10 0 FCAEHM COc1ccccc1N1CCCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2N)CC1 ZINC001537772274 1267381764 /nfs/dbraw/zinc/38/17/64/1267381764.db2.gz VWDNTVNMDQWYNK-UHFFFAOYSA-N -1 3 359.386 0.831 10 0 FCAEHM Cc1ccc(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)nn1 ZINC001538088432 1267391718 /nfs/dbraw/zinc/39/17/18/1267391718.db2.gz AZYRKDVCPHOLIO-UHFFFAOYSA-N -1 3 356.354 0.772 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NC2CCN(CC(=O)NC)CC2)c1 ZINC001540638991 1267456080 /nfs/dbraw/zinc/45/60/80/1267456080.db2.gz WGAZPZLQCGPXTM-UHFFFAOYSA-N -1 3 360.414 0.457 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H]2OCCN(C)C2=O)cc1OC ZINC001543319632 1267542081 /nfs/dbraw/zinc/54/20/81/1267542081.db2.gz TYSAYJJKRGJOFC-CYBMUJFWSA-N -1 3 371.415 0.253 10 0 FCAEHM O=C(COCC(F)F)N1C[C@@H]2CCN(C(=O)c3cnc[n-]c3=O)[C@@H]2C1 ZINC001341065683 1268768592 /nfs/dbraw/zinc/76/85/92/1268768592.db2.gz RIDZUSDVKDACMK-GXSJLCMTSA-N -1 3 356.329 0.137 10 0 FCAEHM CNC(=O)CCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001341232220 1268878153 /nfs/dbraw/zinc/87/81/53/1268878153.db2.gz IWYRGSLNVCMHPW-UKRRQHHQSA-N -1 3 363.414 0.000 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCC2N=NC(=O)N2C2CC2)ccc1F ZINC001557265496 1268939008 /nfs/dbraw/zinc/93/90/08/1268939008.db2.gz LIDXUFPHVWTKCZ-UHFFFAOYSA-N -1 3 369.378 0.296 10 0 FCAEHM COc1ccc(OC)c(C2=NO[C@@H](C(=O)NCCCc3c[n-][nH]c3=O)C2)c1 ZINC001557701797 1268967828 /nfs/dbraw/zinc/96/78/28/1268967828.db2.gz ZJPLIJIKROBNMM-MEDUHNTESA-N -1 3 374.397 0.825 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC001557702688 1268969613 /nfs/dbraw/zinc/96/96/13/1268969613.db2.gz YFSKVZDGLGOERC-NSHDSACASA-N -1 3 368.415 0.306 10 0 FCAEHM NS(=O)(=O)N1CCC(NC(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC001557714024 1268970258 /nfs/dbraw/zinc/97/02/58/1268970258.db2.gz AKMMTHHNJFHTGM-UHFFFAOYSA-N -1 3 359.423 0.638 10 0 FCAEHM CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)[N-]OCCN2CCCC2=O)C1 ZINC001557719759 1268972058 /nfs/dbraw/zinc/97/20/58/1268972058.db2.gz RXZLJBTWIQDROK-QGZVFWFLSA-N -1 3 371.434 0.419 10 0 FCAEHM COc1cc(C(=O)NCc2cn(C3CC3)c(=O)[nH]c2=O)cc(OC)c1[O-] ZINC001558128320 1269030302 /nfs/dbraw/zinc/03/03/02/1269030302.db2.gz MPYQNJJMWXRJSK-UHFFFAOYSA-N -1 3 361.354 0.937 10 0 FCAEHM COC(=O)c1ccc2c(c1)CC[C@H](NC(=O)c1cc(=O)[n-]cn1)C(=O)N2 ZINC001558569491 1269114972 /nfs/dbraw/zinc/11/49/72/1269114972.db2.gz GHTSTHNPOHIVCD-LBPRGKRZSA-N -1 3 356.338 0.652 10 0 FCAEHM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@@]1(CO)COC[C@@H]2CCCN21 ZINC001558840624 1269147076 /nfs/dbraw/zinc/14/70/76/1269147076.db2.gz PAXYQSNEXUAXCI-MEDUHNTESA-N -1 3 368.459 0.168 10 0 FCAEHM CCN(CC)S(=O)(=O)CC(=O)Nc1[n-]nc2cc(C)n(CC)c(=O)c21 ZINC001559001023 1269159534 /nfs/dbraw/zinc/15/95/34/1269159534.db2.gz GTVDHJZVSMBRNU-UHFFFAOYSA-N -1 3 369.447 0.663 10 0 FCAEHM COCCOc1ccc(CNC(=O)CN2CC[C@@H](c3nnn[n-]3)C2)cc1 ZINC001560101271 1269186659 /nfs/dbraw/zinc/18/66/59/1269186659.db2.gz HDMCATDTTQIPGV-CQSZACIVSA-N -1 3 360.418 0.331 10 0 FCAEHM COCCOc1ccc(CNC(=O)CN2CC[C@@H](c3nn[n-]n3)C2)cc1 ZINC001560101271 1269186661 /nfs/dbraw/zinc/18/66/61/1269186661.db2.gz HDMCATDTTQIPGV-CQSZACIVSA-N -1 3 360.418 0.331 10 0 FCAEHM C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001560115891 1269188767 /nfs/dbraw/zinc/18/87/67/1269188767.db2.gz LWEKSFCOHIIFRR-PWSUYJOCSA-N -1 3 359.430 0.488 10 0 FCAEHM O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001564428095 1269420510 /nfs/dbraw/zinc/42/05/10/1269420510.db2.gz RQTAUFOAEQURPN-NWDGAFQWSA-N -1 3 360.418 0.071 10 0 FCAEHM CC(=O)[C@H]1CC(C(=O)NCCc2c(C)[n-][nH]c2=O)=NN1c1ccccc1 ZINC001565611460 1269481285 /nfs/dbraw/zinc/48/12/85/1269481285.db2.gz GKDSQTPXGJNOOG-GDBMZVCRSA-N -1 3 355.398 0.839 10 0 FCAEHM COc1ccc(S(=O)(=O)CCC(=O)NCCc2c(C)[n-][nH]c2=O)cc1 ZINC001565611444 1269481496 /nfs/dbraw/zinc/48/14/96/1269481496.db2.gz FTKVNKCQUVGWLM-CQSZACIVSA-N -1 3 367.427 0.487 10 0 FCAEHM COc1ccc(OC)c(C2=NO[C@@H](C(=O)NCCc3c(C)[n-][nH]c3=O)C2)c1 ZINC001565612217 1269482549 /nfs/dbraw/zinc/48/25/49/1269482549.db2.gz HANQGWXEYRBSDO-BLLLJJGKSA-N -1 3 374.397 0.825 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C=CC(=O)Nc1ccc2n[nH]cc2c1 ZINC001565612239 1269483404 /nfs/dbraw/zinc/48/34/04/1269483404.db2.gz HTMVJTVINNTTQO-ZFDPJTLLSA-N -1 3 354.370 0.686 10 0 FCAEHM CCOCCOCC(=O)N1C[C@@H](C)[C@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001342543181 1269508324 /nfs/dbraw/zinc/50/83/24/1269508324.db2.gz KYYSAMGZANRLFY-DGCLKSJQSA-N -1 3 366.418 0.120 10 0 FCAEHM CCO[C@@H]1CN(C(=O)[C@@H](C)CSC)C[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001565945722 1269526959 /nfs/dbraw/zinc/52/69/59/1269526959.db2.gz SGXRHANNBFTNCM-QJPTWQEYSA-N -1 3 357.480 0.463 10 0 FCAEHM O=C(CCN1CCN(c2cccc(Cl)c2)CC1)NCc1n[nH]c(=O)[n-]1 ZINC001566245106 1269625919 /nfs/dbraw/zinc/62/59/19/1269625919.db2.gz VXYLYEAPSHWOEE-UHFFFAOYSA-N -1 3 364.837 0.992 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)c1 ZINC001566420254 1269642171 /nfs/dbraw/zinc/64/21/71/1269642171.db2.gz PALNIMZBPWPDQJ-NSHDSACASA-N -1 3 367.427 0.528 10 0 FCAEHM C[C@@H](CO[N-]C(=O)[C@@H]1CCC2N=NC(=O)N2C1)NC(=O)OC(C)(C)C ZINC001566455923 1269644832 /nfs/dbraw/zinc/64/48/32/1269644832.db2.gz WEDATJOZKOADEQ-VHSXEESVSA-N -1 3 355.395 0.507 10 0 FCAEHM C[C@@H](CC(N)=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001566641491 1269652478 /nfs/dbraw/zinc/65/24/78/1269652478.db2.gz PLUKKIFXDAVBFU-ZETCQYMHSA-N -1 3 353.853 0.308 10 0 FCAEHM CCCCOCC(=O)N1C[C@@H](NC(=O)c2c(C)nc[n-]c2=O)[C@H](OC)C1 ZINC001343052096 1269749272 /nfs/dbraw/zinc/74/92/72/1269749272.db2.gz VGBJEPWTEXNXPJ-CHWSQXEVSA-N -1 3 366.418 0.263 10 0 FCAEHM C[C@@H](CNCc1nc(=O)n(C)[n-]1)NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001569071571 1269762600 /nfs/dbraw/zinc/76/26/00/1269762600.db2.gz PFNIQJXYHVCOPE-TVYUQYBPSA-N -1 3 365.384 0.785 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CC[C@](O)(C(F)F)C1 ZINC001569310957 1269775275 /nfs/dbraw/zinc/77/52/75/1269775275.db2.gz AENYMYAMZLPXPZ-QGZVFWFLSA-N -1 3 364.352 0.911 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H]1CCNC(=O)CC1 ZINC001570479289 1269890672 /nfs/dbraw/zinc/89/06/72/1269890672.db2.gz SXAMRUAIPZJFOF-CQSZACIVSA-N -1 3 369.425 0.858 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)NC[C@H](O)CN(C)C(=O)c1ccccc1[O-] ZINC001572462822 1270057048 /nfs/dbraw/zinc/05/70/48/1270057048.db2.gz AHESMRCYEKLGMH-BJJXKVORSA-N -1 3 350.415 0.756 10 0 FCAEHM Cc1ccn(C[C@H](C)C(=O)NC[C@H]2CC[C@@H](NC(=O)c3cn[n-]n3)C2)n1 ZINC001344279065 1270128122 /nfs/dbraw/zinc/12/81/22/1270128122.db2.gz UXLYYBDZFRNANK-FPMFFAJLSA-N -1 3 359.434 0.661 10 0 FCAEHM CC(C)COCCC(=O)N1C[C@@H]2CCN(C(=O)c3cnc[n-]c3=O)[C@@H]2C1 ZINC001572782951 1270137143 /nfs/dbraw/zinc/13/71/43/1270137143.db2.gz DYRSICFTJDENDA-DZGCQCFKSA-N -1 3 362.430 0.918 10 0 FCAEHM Cc1nccc(CCC(=O)NC[C@H]2CC[C@@H](NC(=O)c3cn[n-]n3)C2)n1 ZINC001344297713 1270137882 /nfs/dbraw/zinc/13/78/82/1270137882.db2.gz PGWCZGMMQBEZQF-GXTWGEPZSA-N -1 3 357.418 0.551 10 0 FCAEHM O=C(Cc1ccc[nH]1)NCc1nc(CNC(=O)[C@]23C[C@H]2COC3)cc(=O)[n-]1 ZINC001344650126 1270217000 /nfs/dbraw/zinc/21/70/00/1270217000.db2.gz NAZLKKOYBBGPOA-VOJFVSQTSA-N -1 3 371.397 0.022 10 0 FCAEHM COCC(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@]23CCC[C@H]2OCC3)n1 ZINC001344649772 1270217889 /nfs/dbraw/zinc/21/78/89/1270217889.db2.gz JVYNGLJCOUPUJP-PXAZEXFGSA-N -1 3 364.402 0.020 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2cnc[n-]c2=O)CCN1C(=O)CCCCC(N)=O ZINC001344854005 1270260870 /nfs/dbraw/zinc/26/08/70/1270260870.db2.gz XINCKSPCYHRLPJ-QWHCGFSZSA-N -1 3 363.418 0.337 10 0 FCAEHM CCC(CC)[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@@H]1O ZINC001573010264 1270496699 /nfs/dbraw/zinc/49/66/99/1270496699.db2.gz VFCZBTFPSLJUTB-GDLCADMTSA-N -1 3 364.446 0.864 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](NC(=O)C[C@@H](C)CC(C)C)[C@@H](O)C1 ZINC001573014889 1270506793 /nfs/dbraw/zinc/50/67/93/1270506793.db2.gz UDNSVVIQGRLITG-YUTCNCBUSA-N -1 3 364.446 0.864 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CC[C@H](CNC(=O)COC(C)C)C1 ZINC001573163766 1270624089 /nfs/dbraw/zinc/62/40/89/1270624089.db2.gz VRJHDFPVLJTSSL-QWHCGFSZSA-N -1 3 350.419 0.930 10 0 FCAEHM C[C@@H]1CCN(C(=O)c2cnc[n-]c2=O)[C@H](CNC(=O)CC2(O)CCC2)C1 ZINC001573232803 1270698230 /nfs/dbraw/zinc/69/82/30/1270698230.db2.gz OFFZOXSEIDWJDS-OLZOCXBDSA-N -1 3 362.430 0.844 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1CCNC(=O)c1cnc[n-]c1=O ZINC001574002286 1270985284 /nfs/dbraw/zinc/98/52/84/1270985284.db2.gz BBSRTXFFLVTVGU-TZMCWYRMSA-N -1 3 371.397 0.344 10 0 FCAEHM COCC1(C(=O)NCC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@H]2C)CC1 ZINC001574010222 1270992719 /nfs/dbraw/zinc/99/27/19/1270992719.db2.gz MHFBBBDLGNHEHC-CHWSQXEVSA-N -1 3 362.430 0.823 10 0 FCAEHM Cc1nn(C)c(-n2cccn2)c1C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001603292301 1287347484 /nfs/dbraw/zinc/34/74/84/1287347484.db2.gz PSZQNGYQDWCGBY-LBPRGKRZSA-N -1 3 368.401 0.419 10 0 FCAEHM Cc1nn(C)c(-n2cccn2)c1C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001603292300 1287347683 /nfs/dbraw/zinc/34/76/83/1287347683.db2.gz PSZQNGYQDWCGBY-GFCCVEGCSA-N -1 3 368.401 0.419 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cccc(-n2cnnn2)c1 ZINC001603293783 1287347911 /nfs/dbraw/zinc/34/79/11/1287347911.db2.gz YPUDOZKZQLUMKY-GFCCVEGCSA-N -1 3 352.358 0.167 10 0 FCAEHM O=C(N[C@@H](CO)CNC(=O)[C@@H]1C[C@H]1C1CC1)c1nnc2ccccc2c1[O-] ZINC001718619194 1287530777 /nfs/dbraw/zinc/53/07/77/1287530777.db2.gz XVURSYLDKXYSAA-KWCYVHTRSA-N -1 3 370.409 0.588 10 0 FCAEHM C[C@@H](C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1)S(=O)(=O)C1CCOCC1 ZINC001583357374 1282082717 /nfs/dbraw/zinc/08/27/17/1282082717.db2.gz IZLKTUNHVLBVPA-WDEREUQCSA-N -1 3 357.432 0.414 10 0 FCAEHM CCC(=O)N1CC[C@H](NC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])C1 ZINC001631667398 1282105466 /nfs/dbraw/zinc/10/54/66/1282105466.db2.gz RKYUOHVFQOVMHS-LBPRGKRZSA-N -1 3 374.372 0.615 10 0 FCAEHM CCC(=O)N1CC[C@H](NC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)C1 ZINC001631667398 1282105479 /nfs/dbraw/zinc/10/54/79/1282105479.db2.gz RKYUOHVFQOVMHS-LBPRGKRZSA-N -1 3 374.372 0.615 10 0 FCAEHM O=C(CNS(=O)(=O)c1ccccc1F)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001631826629 1282118109 /nfs/dbraw/zinc/11/81/09/1282118109.db2.gz QUILQWNSNKFBQM-SNVBAGLBSA-N -1 3 368.390 0.549 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)Cc1ccccc1S(=O)(=O)C(F)F ZINC001585158942 1282207131 /nfs/dbraw/zinc/20/71/31/1282207131.db2.gz XNMHVFPPUXXZJG-NSHDSACASA-N -1 3 373.381 0.854 10 0 FCAEHM C[C@H](C[S@@](C)=O)NC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001632783396 1282207334 /nfs/dbraw/zinc/20/73/34/1282207334.db2.gz JDUGEWBAGUKSDX-MXUQEVIESA-N -1 3 353.375 0.371 10 0 FCAEHM C[C@H](C[S@@](C)=O)NC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001632783396 1282207335 /nfs/dbraw/zinc/20/73/35/1282207335.db2.gz JDUGEWBAGUKSDX-MXUQEVIESA-N -1 3 353.375 0.371 10 0 FCAEHM CS(=O)(=O)C[C@@H](C(=O)NCCCc1c[n-][nH]c1=O)c1ccccc1 ZINC001585938582 1282258273 /nfs/dbraw/zinc/25/82/73/1282258273.db2.gz ZYQHCVKEHOMWEH-UONOGXRCSA-N -1 3 351.428 0.443 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NCCCc1c[nH][nH]c1=O ZINC001585938296 1282258580 /nfs/dbraw/zinc/25/85/80/1282258580.db2.gz WAJIZAFJMZLVAT-ZDUSSCGKSA-N -1 3 368.397 0.311 10 0 FCAEHM CS(=O)(=O)C[C@@H](C(=O)NCCCc1c[n-][nH]c1=O)c1ccccc1 ZINC001585938583 1282258624 /nfs/dbraw/zinc/25/86/24/1282258624.db2.gz ZYQHCVKEHOMWEH-ZIAGYGMSSA-N -1 3 351.428 0.443 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)c1nccn2c(Br)cnc12 ZINC001585938315 1282258801 /nfs/dbraw/zinc/25/88/01/1282258801.db2.gz WIONZWUAKHBZNE-QMMMGPOBSA-N -1 3 365.191 0.734 10 0 FCAEHM O=C(Cn1cnc(-c2ccccc2)cc1=O)NCCCc1c[n-][nH]c1=O ZINC001634143248 1282303939 /nfs/dbraw/zinc/30/39/39/1282303939.db2.gz GIYWCKOIBUVBEM-CQSZACIVSA-N -1 3 353.382 0.539 10 0 FCAEHM COCCOc1cncc(C(=O)N[C@@H]2CCN(c3nc(C)cc(=O)[n-]3)C2)c1 ZINC001634683190 1282346756 /nfs/dbraw/zinc/34/67/56/1282346756.db2.gz IVIUDDYEWNGRDA-CQSZACIVSA-N -1 3 373.413 0.920 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)N[C@H]1C[C@@H](CO)C1 ZINC001634701305 1282349523 /nfs/dbraw/zinc/34/95/23/1282349523.db2.gz RYXFBIUPNBDZNV-JGZJWPJOSA-N -1 3 363.386 0.313 10 0 FCAEHM CC(C)(C)n1ncnc1CNC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001634717235 1282350399 /nfs/dbraw/zinc/35/03/99/1282350399.db2.gz QTVUCHRMQLWTIT-LLVKDONJSA-N -1 3 360.422 0.607 10 0 FCAEHM CSc1ccc([O-])c(C(=O)NCCS(=O)(=O)N=S(C)(C)=O)c1 ZINC001635064951 1282374445 /nfs/dbraw/zinc/37/44/45/1282374445.db2.gz UXTWBAGYWZXHSK-UHFFFAOYSA-N -1 3 366.486 0.901 10 0 FCAEHM COc1ccc(NC(=O)[C@@]2(C)C[C@@H](O)CN2C)cc1[N-]S(C)(=O)=O ZINC001588163820 1282406779 /nfs/dbraw/zinc/40/67/79/1282406779.db2.gz YSUCCNLCJOEEBP-IAQYHMDHSA-N -1 3 357.432 0.460 10 0 FCAEHM O=C(c1ncc(Br)cc1[O-])N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC001635980746 1282448985 /nfs/dbraw/zinc/44/89/85/1282448985.db2.gz LJIWFJXSSFLQFH-WDEREUQCSA-N -1 3 356.220 0.831 10 0 FCAEHM COc1cc(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)cc(OC)c1O ZINC001636322074 1282485175 /nfs/dbraw/zinc/48/51/75/1282485175.db2.gz LQXPENIFNCPQNS-UHFFFAOYSA-N -1 3 361.354 0.908 10 0 FCAEHM CCC[C@@H]1C[C@H]1C(=O)N(C)C[C@@H](O)CN(C)C(=O)c1cnc[n-]c1=O ZINC001718784604 1287576389 /nfs/dbraw/zinc/57/63/89/1287576389.db2.gz QKTRZXQPOPEWOL-JHJVBQTASA-N -1 3 350.419 0.510 10 0 FCAEHM CCn1c(C)cc2n[n-]c(NC(=O)c3cn(C[C@H]4CCOC4)nn3)c2c1=O ZINC001638834646 1282724964 /nfs/dbraw/zinc/72/49/64/1282724964.db2.gz KWJAFUGEZBUGKO-LLVKDONJSA-N -1 3 371.401 0.933 10 0 FCAEHM O=C(NC[C@@H](CO)Cc1ccco1)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001638865484 1282728390 /nfs/dbraw/zinc/72/83/90/1282728390.db2.gz RIRHZMFBCGJBCV-QWHCGFSZSA-N -1 3 361.402 0.504 10 0 FCAEHM COCC[C@]1(NC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)CCOC1 ZINC001638865583 1282729337 /nfs/dbraw/zinc/72/93/37/1282729337.db2.gz VACWDSWYEYZZOS-LRDDRELGSA-N -1 3 351.407 0.256 10 0 FCAEHM C[C@@](O)(CNC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccccc1 ZINC001638865610 1282729376 /nfs/dbraw/zinc/72/93/76/1282729376.db2.gz VQMSEYNKGZLOQX-RDTXWAMCSA-N -1 3 357.414 0.968 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCc2nc3c(s2)COCC3)c(C)o1 ZINC001638996756 1282739062 /nfs/dbraw/zinc/73/90/62/1282739062.db2.gz CBBKLQCDUSEISK-UHFFFAOYSA-N -1 3 371.440 0.955 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC001639025856 1282742400 /nfs/dbraw/zinc/74/24/00/1282742400.db2.gz CHZRWOLVYLENLK-AGIUHOORSA-N -1 3 357.432 0.644 10 0 FCAEHM COC(=O)c1cnc(CCNC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)s1 ZINC001639099433 1282747218 /nfs/dbraw/zinc/74/72/18/1282747218.db2.gz SFKTVDXRKPIDQY-UHFFFAOYSA-N -1 3 359.363 0.786 10 0 FCAEHM COCCOCCc1ncc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)[nH]1 ZINC001639297906 1282768839 /nfs/dbraw/zinc/76/88/39/1282768839.db2.gz GRPQJIYTWGWWPK-LLVKDONJSA-N -1 3 365.390 0.724 10 0 FCAEHM C[C@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])CC(=O)N1C ZINC001639342562 1282773519 /nfs/dbraw/zinc/77/35/19/1282773519.db2.gz UVCJYJCUOHQBDY-JTQLQIEISA-N -1 3 360.345 0.177 10 0 FCAEHM C[C@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)CC(=O)N1C ZINC001639342562 1282773529 /nfs/dbraw/zinc/77/35/29/1282773529.db2.gz UVCJYJCUOHQBDY-JTQLQIEISA-N -1 3 360.345 0.177 10 0 FCAEHM C[S@](=O)C1(CNC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])CC1 ZINC001639346715 1282774409 /nfs/dbraw/zinc/77/44/09/1282774409.db2.gz VPLWHKCTUORXIC-VWLOTQADSA-N -1 3 365.386 0.515 10 0 FCAEHM C[S@](=O)C1(CNC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)CC1 ZINC001639346715 1282774413 /nfs/dbraw/zinc/77/44/13/1282774413.db2.gz VPLWHKCTUORXIC-VWLOTQADSA-N -1 3 365.386 0.515 10 0 FCAEHM Cn1cc(C(C)(C)NC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])nn1 ZINC001639819147 1282817285 /nfs/dbraw/zinc/81/72/85/1282817285.db2.gz BTZLKWKVPQGDMD-UHFFFAOYSA-N -1 3 372.360 0.668 10 0 FCAEHM Cn1cc(C(C)(C)NC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)nn1 ZINC001639819147 1282817291 /nfs/dbraw/zinc/81/72/91/1282817291.db2.gz BTZLKWKVPQGDMD-UHFFFAOYSA-N -1 3 372.360 0.668 10 0 FCAEHM COCc1nnc2n1CCN(C(=O)CCNC(=O)c1ccc(C)cc1[O-])C2 ZINC001639937566 1282827227 /nfs/dbraw/zinc/82/72/27/1282827227.db2.gz YAJLWPHAPLCDDU-UHFFFAOYSA-N -1 3 373.413 0.601 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)C1CCN(c2cnccn2)CC1 ZINC001640104519 1282837608 /nfs/dbraw/zinc/83/76/08/1282837608.db2.gz GBDKFRKMEZAWEJ-AWEZNQCLSA-N -1 3 369.429 0.584 10 0 FCAEHM COC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001640110376 1282838921 /nfs/dbraw/zinc/83/89/21/1282838921.db2.gz QBIUEZWJOCYHHO-RYUDHWBXSA-N -1 3 351.407 0.648 10 0 FCAEHM CS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)s1 ZINC001640110588 1282839351 /nfs/dbraw/zinc/83/93/51/1282839351.db2.gz TVPXOABOLMGSOB-VIFPVBQESA-N -1 3 368.440 0.656 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1sccc1-n1ccnn1 ZINC001640110311 1282839392 /nfs/dbraw/zinc/83/93/92/1282839392.db2.gz OJZQAVVSDMIXJS-JTQLQIEISA-N -1 3 357.399 0.833 10 0 FCAEHM Cc1cc(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)c2cnn(C)c2n1 ZINC001640104645 1282839577 /nfs/dbraw/zinc/83/95/77/1282839577.db2.gz JMLRLZHYMVGVQD-NSHDSACASA-N -1 3 353.386 0.781 10 0 FCAEHM C[C@H](NC(=O)[C@]1(C)C[C@H](O)CN1C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001640315583 1282854497 /nfs/dbraw/zinc/85/44/97/1282854497.db2.gz MAUYXINIGZBRLI-UWCDFFNFSA-N -1 3 350.419 0.322 10 0 FCAEHM CS(=O)(=O)NCc1ccc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)o1 ZINC001640594294 1282878266 /nfs/dbraw/zinc/87/82/66/1282878266.db2.gz DDIMQEYWZDUFQL-SECBINFHSA-N -1 3 354.388 0.387 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)c2ccnc(NC(=O)C3CC3)c2)[n-]1 ZINC001641468283 1282955029 /nfs/dbraw/zinc/95/50/29/1282955029.db2.gz RFEQPEQINBLXAW-UHFFFAOYSA-N -1 3 358.358 0.655 10 0 FCAEHM C[S@](=O)C1(CNC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)CCC1 ZINC001680640008 1283435510 /nfs/dbraw/zinc/43/55/10/1283435510.db2.gz HSEIQPHXCIWMMU-BUBHHJDNSA-N -1 3 353.448 0.361 10 0 FCAEHM C[S@](=O)C1(CNC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)CCC1 ZINC001680640009 1283435635 /nfs/dbraw/zinc/43/56/35/1283435635.db2.gz HSEIQPHXCIWMMU-JNDILOIQSA-N -1 3 353.448 0.361 10 0 FCAEHM CC(C)[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C[C@H]1O ZINC001682678846 1283754126 /nfs/dbraw/zinc/75/41/26/1283754126.db2.gz WXEWQGGZMDFEER-LERXQTSPSA-N -1 3 362.430 0.653 10 0 FCAEHM CCCCCCOCC(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1 ZINC001683538691 1284023552 /nfs/dbraw/zinc/02/35/52/1284023552.db2.gz NVHONJQVDMWEJN-KGLIPLIRSA-N -1 3 366.418 0.081 10 0 FCAEHM CC[C@@H](CC(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@@H]1O)C(C)(C)C ZINC001683577354 1284044017 /nfs/dbraw/zinc/04/40/17/1284044017.db2.gz RMILEGUQCREZNZ-YUTCNCBUSA-N -1 3 364.446 0.946 10 0 FCAEHM CC/C(C)=C/C(=O)N[C@@H]1CN(C(=O)c2nnc3ccccc3c2[O-])C[C@H]1O ZINC001719094185 1287708907 /nfs/dbraw/zinc/70/89/07/1287708907.db2.gz MYWPYQLRLACDFV-UHUXCJHTSA-N -1 3 370.409 0.993 10 0 FCAEHM CC(C)(C)CC(=O)NCC(=O)NC[C@H]1CC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC001702531439 1285702763 /nfs/dbraw/zinc/70/27/63/1285702763.db2.gz PXHZWXJKLOUXQK-NWDGAFQWSA-N -1 3 364.450 0.372 10 0 FCAEHM Cc1ncc(CC(=O)NC[C@H]2CC[C@@H](NC(=O)c3cnc[n-]c3=O)C2)o1 ZINC001702536612 1285707835 /nfs/dbraw/zinc/70/78/35/1285707835.db2.gz SBHWDYBTSLSQJM-NWDGAFQWSA-N -1 3 359.386 0.736 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)NCc1cc(=O)[n-]c(CNC(=O)CCCF)n1 ZINC001702603618 1285750215 /nfs/dbraw/zinc/75/02/15/1285750215.db2.gz CGXQKBFAUOGUTA-BZNIZROVSA-N -1 3 368.409 0.979 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)CCS(C)(=O)=O)CCN1C(=O)c1ccccc1[O-] ZINC001702631727 1285761517 /nfs/dbraw/zinc/76/15/17/1285761517.db2.gz IDJNQZMLCGYAGZ-UONOGXRCSA-N -1 3 368.455 0.936 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@H]1CCN(C(=O)CCCCC(N)=O)[C@@H]1C ZINC001702719796 1285818680 /nfs/dbraw/zinc/81/86/80/1285818680.db2.gz FRCLAAHUBSPYCF-NEPJUHHUSA-N -1 3 363.418 0.256 10 0 FCAEHM CO[C@@H](C)CC(=O)NCC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001702830565 1285923397 /nfs/dbraw/zinc/92/33/97/1285923397.db2.gz DORCRVMLNMXIFU-FRRDWIJNSA-N -1 3 350.419 0.822 10 0 FCAEHM Cc1ncncc1C(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2cnc[n-]c2=O)C1 ZINC001702844657 1285937277 /nfs/dbraw/zinc/93/72/77/1285937277.db2.gz NOYJAWFUFIZMML-DGCLKSJQSA-N -1 3 370.413 0.809 10 0 FCAEHM C[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccccc1[O-])NC(N)=O ZINC001702977500 1286031625 /nfs/dbraw/zinc/03/16/25/1286031625.db2.gz CUDCMPTZDGUEOD-OXHZDVMGSA-N -1 3 360.414 0.701 10 0 FCAEHM C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccccc1[O-])NC(N)=O ZINC001702977501 1286031652 /nfs/dbraw/zinc/03/16/52/1286031652.db2.gz CUDCMPTZDGUEOD-UNJBNNCHSA-N -1 3 360.414 0.701 10 0 FCAEHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O ZINC001702983545 1286034966 /nfs/dbraw/zinc/03/49/66/1286034966.db2.gz SATAFUKNPCDWQM-LTZCYQRMSA-N -1 3 370.413 0.646 10 0 FCAEHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001704037379 1286175173 /nfs/dbraw/zinc/17/51/73/1286175173.db2.gz WLNZEMJLMZRLNZ-MVWJERBFSA-N -1 3 370.413 0.821 10 0 FCAEHM CN(C)S(=O)(=O)c1cc(C(=O)N2CCC(Cc3nnn[n-]3)CC2)co1 ZINC001593917576 1286220496 /nfs/dbraw/zinc/22/04/96/1286220496.db2.gz BDAAKHFWTIXXLN-UHFFFAOYSA-N -1 3 368.419 0.138 10 0 FCAEHM CN(C)S(=O)(=O)c1cc(C(=O)N2CCC(Cc3nn[n-]n3)CC2)co1 ZINC001593917576 1286220502 /nfs/dbraw/zinc/22/05/02/1286220502.db2.gz BDAAKHFWTIXXLN-UHFFFAOYSA-N -1 3 368.419 0.138 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCN([S@@](C)(=N)=O)CC2)c1 ZINC001594848450 1286235231 /nfs/dbraw/zinc/23/52/31/1286235231.db2.gz SKMXVBVMHNIWLY-XMMPIXPASA-N -1 3 352.416 0.866 10 0 FCAEHM CCCN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001704463955 1286254325 /nfs/dbraw/zinc/25/43/25/1286254325.db2.gz ZNFWOBKVGCMWGV-YUELXQCFSA-N -1 3 359.426 0.967 10 0 FCAEHM CN1C(=O)CO[C@H](C(=O)N2CCCc3c(=O)[n-]cnc32)[C@H]1c1cccnc1 ZINC001595851679 1286266771 /nfs/dbraw/zinc/26/67/71/1286266771.db2.gz APBVEGMRRUDFKJ-CABCVRRESA-N -1 3 369.381 0.455 10 0 FCAEHM COC[C@H](OC)C(=O)Nc1ncc(S(=O)(=O)[N-]C(C)(C)C)s1 ZINC001597072719 1286326285 /nfs/dbraw/zinc/32/62/85/1286326285.db2.gz OAIUVIFBKIVVEU-QMMMGPOBSA-N -1 3 351.450 0.820 10 0 FCAEHM CC[C@H](C)[C@H](NC(C)=O)C(=O)NC[C@H]1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001707122053 1286458644 /nfs/dbraw/zinc/45/86/44/1286458644.db2.gz LHEGPYRQIHJNBJ-DNVSUFBTSA-N -1 3 366.466 0.436 10 0 FCAEHM O=C(NCCCN(Cc1cc(=O)n2[n-]ccc2n1)C1CC1)[C@]12C[C@H]1COC2 ZINC001707483382 1287136621 /nfs/dbraw/zinc/13/66/21/1287136621.db2.gz ZTFSZKIMSHOLDK-DJJJIMSYSA-N -1 3 371.441 0.530 10 0 FCAEHM COCCC(=O)N1C[C@@H](C)[C@H](NC(=O)CCc2c(C)nc[n-]c2=O)C1 ZINC001719185405 1287842488 /nfs/dbraw/zinc/84/24/88/1287842488.db2.gz QFXOKGAYEMRVMP-BXUZGUMPSA-N -1 3 350.419 0.423 10 0 FCAEHM CCCSCC(=O)N1C[C@@H](NC(=O)c2c(C)nc[n-]c2=O)[C@H](OC)C1 ZINC001719242321 1287934116 /nfs/dbraw/zinc/93/41/16/1287934116.db2.gz RSONCLDAPLXZKJ-VXGBXAGGSA-N -1 3 368.459 0.589 10 0 FCAEHM CCCCCCO[C@H](C)C(=O)N1C[C@@H](NC(=O)c2cn[n-]n2)[C@@H](O)C1 ZINC001719287548 1288035567 /nfs/dbraw/zinc/03/55/67/1288035567.db2.gz VEYOLPCQIFMOMW-BNOWGMLFSA-N -1 3 353.423 0.092 10 0 FCAEHM O=C(CO[C@H]1CCOC1)N[C@@H]1CC[C@H](CNC(=O)c2cnc[n-]c2=O)C1 ZINC001719455572 1288124993 /nfs/dbraw/zinc/12/49/93/1288124993.db2.gz ACVVWPDAIOCKPM-XQQFMLRXSA-N -1 3 364.402 0.002 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@]2(F)CCOC2)C1 ZINC001736118352 1289157441 /nfs/dbraw/zinc/15/74/41/1289157441.db2.gz RVQZVDBHNQPKHH-XWCIJXRUSA-N -1 3 366.393 0.634 10 0 FCAEHM CC1(C(=O)NCc2nc(CNC(=O)[C@]34C[C@H]3COC4)cc(=O)[n-]2)CCC1 ZINC001719523751 1288167275 /nfs/dbraw/zinc/16/72/75/1288167275.db2.gz OUSMCENDZVFDGX-VOJFVSQTSA-N -1 3 360.414 0.641 10 0 FCAEHM CCO[C@@H](C)C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@H]2CC)n1 ZINC001719524176 1288167309 /nfs/dbraw/zinc/16/73/09/1288167309.db2.gz VAYORSBGEHGKGN-DMDPSCGWSA-N -1 3 350.419 0.886 10 0 FCAEHM O=C(NC[C@@H](NCc1cc(=O)n2[n-]ccc2n1)C1CC1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001731405208 1288555865 /nfs/dbraw/zinc/55/58/65/1288555865.db2.gz NCFHRNCTZYRPOJ-FPCVCCKLSA-N -1 3 371.441 0.575 10 0 FCAEHM CC(C)SCC(=O)N1C[C@@H]2CCN(C(=O)c3cnc[n-]c3=O)[C@@H]2C1 ZINC001735710811 1288786774 /nfs/dbraw/zinc/78/67/74/1288786774.db2.gz MYYMIWDMLIUYQK-WCQYABFASA-N -1 3 350.444 0.997 10 0 FCAEHM CC[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2cc(=O)c3ccccc3[n-]2)C[C@H]1O ZINC001735729769 1288815436 /nfs/dbraw/zinc/81/54/36/1288815436.db2.gz YGXPBAGOHTULFZ-RGYTYGDFSA-N -1 3 357.410 0.876 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CNC(=O)CCc1cn[nH]c1 ZINC001736366551 1289284858 /nfs/dbraw/zinc/28/48/58/1289284858.db2.gz VQOGUQYUPHDDOE-DGCLKSJQSA-N -1 3 358.402 0.362 10 0 FCAEHM CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCc1c(C)nc[n-]c1=O ZINC001736454221 1289359389 /nfs/dbraw/zinc/35/93/89/1289359389.db2.gz CVJAJMPTVWAUNS-SNPRPXQTSA-N -1 3 362.430 0.708 10 0 FCAEHM CC[C@H](C)[C@H](NC(C)=O)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn[n-]n1)C2 ZINC001736494193 1289392869 /nfs/dbraw/zinc/39/28/69/1289392869.db2.gz KVWWVWKXJXZABY-ATDWNOGJSA-N -1 3 362.434 0.217 10 0 FCAEHM CN1C[C@H](C(=O)Nc2ccc(I)cc2[O-])NC1=O ZINC001611515637 1289655425 /nfs/dbraw/zinc/65/54/25/1289655425.db2.gz JLNRRTRQGCVVLE-MRVPVSSYSA-N -1 3 361.139 0.959 10 0 FCAEHM COCC1(C2CC2)CN(C(=O)C[N-]S(=O)(=O)c2c(C)noc2C)C1 ZINC001611620209 1289661822 /nfs/dbraw/zinc/66/18/22/1289661822.db2.gz GETBZLKRGPBRKH-UHFFFAOYSA-N -1 3 357.432 0.455 10 0 FCAEHM Cc1nc(C)c(CCC(=O)N2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)c(=O)[n-]1 ZINC001611640319 1289664171 /nfs/dbraw/zinc/66/41/71/1289664171.db2.gz ACEQGFMZMPDTBG-CHWSQXEVSA-N -1 3 353.444 0.625 10 0 FCAEHM NC(=O)c1nccnc1NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC001612290770 1289675916 /nfs/dbraw/zinc/67/59/16/1289675916.db2.gz DJCKBBPEXJNSOF-UHFFFAOYSA-N -1 3 373.797 0.758 10 0 FCAEHM O=C(NC[C@@H](CO)NC(=O)[C@@H]1C[C@H]1C1CC1)c1c[n-]c2ccccc2c1=O ZINC001701701092 1289687164 /nfs/dbraw/zinc/68/71/64/1289687164.db2.gz KRGRBGCMBGQIPR-AEGPPILISA-N -1 3 369.421 0.781 10 0 FCAEHM CN(C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1C1CCC1)C(=O)c1cnc[n-]c1=O ZINC001701856978 1289708248 /nfs/dbraw/zinc/70/82/48/1289708248.db2.gz JDUHJTMFTOSVRT-MELADBBJSA-N -1 3 362.430 0.510 10 0 FCAEHM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cncn1C)NC(=O)c1cnc[n-]c1=O ZINC001738857342 1289741076 /nfs/dbraw/zinc/74/10/76/1289741076.db2.gz HJVFIGNSIDDCRN-IJLUTSLNSA-N -1 3 358.402 0.296 10 0 FCAEHM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cncn1C)NC(=O)c1cnc[n-]c1=O ZINC001738857344 1289741113 /nfs/dbraw/zinc/74/11/13/1289741113.db2.gz HJVFIGNSIDDCRN-QJPTWQEYSA-N -1 3 358.402 0.296 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C1CCN(C(=O)c2cccnc2)CC1 ZINC001615962827 1289766240 /nfs/dbraw/zinc/76/62/40/1289766240.db2.gz ISRBADRNWMWNCF-OAHLLOKOSA-N -1 3 357.414 0.562 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1c(Cl)cccc1S(C)(=O)=O ZINC001615962323 1289766440 /nfs/dbraw/zinc/76/64/40/1289766440.db2.gz ALPJIUKQRUDPPD-VIFPVBQESA-N -1 3 357.819 0.985 10 0 FCAEHM CC[C@H](CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1)C(C)(C)C ZINC001702185202 1289806172 /nfs/dbraw/zinc/80/61/72/1289806172.db2.gz APNKSFMAGOXODP-MRVWCRGKSA-N -1 3 364.446 0.946 10 0 FCAEHM CN(CCc1nccc(C(F)(F)F)n1)Cc1cc(=O)n2nc(N)[n-]c2n1 ZINC001620651184 1290012694 /nfs/dbraw/zinc/01/26/94/1290012694.db2.gz ALVNMVOKNHTDLL-UHFFFAOYSA-N -1 3 368.323 0.483 10 0 FCAEHM CC(C)[C@H](F)C(=O)N[C@@H]1CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C[C@H]1O ZINC001739454613 1290024848 /nfs/dbraw/zinc/02/48/48/1290024848.db2.gz IDMDUTFORQEBKA-BZPMIXESSA-N -1 3 366.393 0.355 10 0 FCAEHM CO[C@@H]1CN(C(=O)[C@@H](C)CSC)C[C@H]1NC(=O)c1c(C)nc[n-]c1=O ZINC001702332721 1290066015 /nfs/dbraw/zinc/06/60/15/1290066015.db2.gz DXGIZPKSAKGKLX-MVWJERBFSA-N -1 3 368.459 0.445 10 0 FCAEHM CC[C@@H](O)Cn1cc(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)nn1 ZINC001622312218 1290118481 /nfs/dbraw/zinc/11/84/81/1290118481.db2.gz BLFHROBCOZSXBA-CYBMUJFWSA-N -1 3 373.413 0.353 10 0 FCAEHM CC(C)[C@@H](C)CC(=O)N1C[C@@H](NC(=O)c2cccc3n[n-]nc32)[C@@H](O)C1 ZINC001702356951 1290122885 /nfs/dbraw/zinc/12/28/85/1290122885.db2.gz WSZDSSNOGAOACF-GLQYFDAESA-N -1 3 359.430 0.942 10 0 FCAEHM CO[C@@H]1CN(C(=O)CCCC(C)C)C[C@H]1NC(=O)c1cnc[n-]c1=O ZINC001739579613 1290189133 /nfs/dbraw/zinc/18/91/33/1290189133.db2.gz UQAWTDSNDVKVPE-ZIAGYGMSSA-N -1 3 350.419 0.964 10 0 FCAEHM CCOC(=O)c1ccc(N2CCN(C(=O)c3cnncc3[O-])CC2)nc1 ZINC001625322759 1290334081 /nfs/dbraw/zinc/33/40/81/1290334081.db2.gz GRSWKCOZFQKEOL-UHFFFAOYSA-N -1 3 357.370 0.716 10 0 FCAEHM CC[C@H](C)CCC(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@@H]1O ZINC001739688697 1290362740 /nfs/dbraw/zinc/36/27/40/1290362740.db2.gz NOVQUTQFSJDRDT-UHTWSYAYSA-N -1 3 350.419 0.618 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC001627153718 1290441541 /nfs/dbraw/zinc/44/15/41/1290441541.db2.gz XUKSCEVJNFVCHM-YVEFUNNKSA-N -1 3 368.434 0.377 10 0 FCAEHM CCO[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CNC(=O)C[C@@H](C)OC ZINC001739940455 1290449025 /nfs/dbraw/zinc/44/90/25/1290449025.db2.gz ZMPSBPOZRBDJIE-YRGRVCCFSA-N -1 3 366.418 0.201 10 0 FCAEHM O=C(CCC(F)F)NCc1nc(CNC(=O)[C@]23C[C@H]2COC3)cc(=O)[n-]1 ZINC001739983681 1290458435 /nfs/dbraw/zinc/45/84/35/1290458435.db2.gz SVAJYUIBTRKSNU-FVMDXXJSSA-N -1 3 370.356 0.496 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NCc1cc(=O)[n-]c(CNC(=O)Cc2ccon2)n1 ZINC001739982371 1290458532 /nfs/dbraw/zinc/45/85/32/1290458532.db2.gz GTYWRPAQEBRDOC-ZWNOBZJWSA-N -1 3 359.386 0.691 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)CCCC(=O)NC)CCN1C(=O)c1cnc[n-]c1=O ZINC001739997984 1290462018 /nfs/dbraw/zinc/46/20/18/1290462018.db2.gz PUEXTWYHCSZQDX-QWHCGFSZSA-N -1 3 363.418 0.208 10 0 FCAEHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)[C@H]1CNC(=O)C[C@H]1C(F)(F)F ZINC001628259221 1290521966 /nfs/dbraw/zinc/52/19/66/1290521966.db2.gz RFZVGJQQKLWTFA-NKWVEPMBSA-N -1 3 350.322 0.402 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H](C)[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001628274714 1290523252 /nfs/dbraw/zinc/52/32/52/1290523252.db2.gz PAGTZAALDOOJGF-RTXFEEFZSA-N -1 3 370.450 0.479 10 0 FCAEHM CO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O)C1CCC1 ZINC001740377909 1290549466 /nfs/dbraw/zinc/54/94/66/1290549466.db2.gz ZCLIFENMFVQKGE-RZFFKMDDSA-N -1 3 360.414 0.859 10 0 FCAEHM Cc1nc(CS(C)(=O)=O)sc1CC(=O)NCCCc1cc(=O)[nH][n-]1 ZINC001629042804 1290573115 /nfs/dbraw/zinc/57/31/15/1290573115.db2.gz GJDYZGYKFDESQC-UHFFFAOYSA-N -1 3 372.472 0.311 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)c1cc2nccc(C(F)(F)F)n2n1 ZINC001630631482 1290682387 /nfs/dbraw/zinc/68/23/87/1290682387.db2.gz JUZGNJITSPCIEK-MRVPVSSYSA-N -1 3 354.292 0.990 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)c1ccc2c(c1)nc1n(c2=O)CCC1 ZINC001630632665 1290685131 /nfs/dbraw/zinc/68/51/31/1290685131.db2.gz WEJGYPLNTQPCSJ-GFCCVEGCSA-N -1 3 353.382 0.585 10 0 FCAEHM O=C(c1nnc2ccccc2c1[O-])N1CCC2(CC1)C[C@@H](O)CNC2=O ZINC001643236932 1290864406 /nfs/dbraw/zinc/86/44/06/1290864406.db2.gz NHTHWHCZLXZVLY-LLVKDONJSA-N -1 3 356.382 0.439 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCC3(CC2)C[C@@H](O)CNC3=O)c1 ZINC001643242090 1290865538 /nfs/dbraw/zinc/86/55/38/1290865538.db2.gz YKFZGDLXEHCQNF-CYBMUJFWSA-N -1 3 373.409 0.620 10 0 FCAEHM CN(C)c1ncnc2c1cc(C(=O)N1CCC(Cc3nnn[n-]3)CC1)n2C ZINC001643900171 1290924574 /nfs/dbraw/zinc/92/45/74/1290924574.db2.gz RUNJIHQQYUONTO-UHFFFAOYSA-N -1 3 369.433 0.642 10 0 FCAEHM CN(C)c1ncnc2c1cc(C(=O)N1CCC(Cc3nn[n-]n3)CC1)n2C ZINC001643900171 1290924581 /nfs/dbraw/zinc/92/45/81/1290924581.db2.gz RUNJIHQQYUONTO-UHFFFAOYSA-N -1 3 369.433 0.642 10 0 FCAEHM O=C(Cn1cc(I)c(=O)[n-]c1=O)c1nccs1 ZINC001643932506 1290930486 /nfs/dbraw/zinc/93/04/86/1290930486.db2.gz ZXGHXPGZBDVJOQ-UHFFFAOYSA-N -1 3 363.136 0.893 10 0 FCAEHM COC1(OC)CC2(CN(C(=O)c3[nH]c(=O)[n-]c(=O)c3N)[C@@H]2C(C)C)C1 ZINC001643978867 1290934354 /nfs/dbraw/zinc/93/43/54/1290934354.db2.gz BRZTVKQWEFMPLD-LLVKDONJSA-N -1 3 352.391 0.720 10 0 FCAEHM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1cnnn1-c1cccc(F)c1 ZINC001644156993 1290944710 /nfs/dbraw/zinc/94/47/10/1290944710.db2.gz QBSDPTDPKDMHQA-UHFFFAOYSA-N -1 3 370.344 0.905 10 0 FCAEHM CS(=O)(=O)NC[C@@H]1CCN(C(=O)c2nnc3ccccc3c2[O-])C1 ZINC001644181390 1290945566 /nfs/dbraw/zinc/94/55/66/1290945566.db2.gz DAMODKNKKXQEGQ-JTQLQIEISA-N -1 3 350.400 0.347 10 0 FCAEHM NS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)c(F)c1 ZINC001644261282 1290950311 /nfs/dbraw/zinc/95/03/11/1290950311.db2.gz QOMTUMIBUCGKHV-MRVPVSSYSA-N -1 3 354.363 0.532 10 0 FCAEHM O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001644261241 1290950657 /nfs/dbraw/zinc/95/06/57/1290950657.db2.gz PSFKCHNKJBUVCD-RWMBFGLXSA-N -1 3 360.414 0.997 10 0 FCAEHM O=C([C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001644261143 1290950759 /nfs/dbraw/zinc/95/07/59/1290950759.db2.gz NYSAWXDTKUATSK-HLTSFMKQSA-N -1 3 367.349 0.654 10 0 FCAEHM Cc1ccc(S(N)(=O)=O)c(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)c1 ZINC001644268681 1290951805 /nfs/dbraw/zinc/95/18/05/1290951805.db2.gz HBTUYIFYXLTWMG-UHFFFAOYSA-N -1 3 354.413 0.357 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)c3nc(C)c(C)[nH]c3=O)CC2)n1 ZINC001645230940 1291011325 /nfs/dbraw/zinc/01/13/25/1291011325.db2.gz JDPAMDXHDZNKRN-UHFFFAOYSA-N -1 3 358.402 0.590 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CC[C@@H](O)[C@@H](O)C2)ccc1F ZINC001645569024 1291036366 /nfs/dbraw/zinc/03/63/66/1291036366.db2.gz RZJBNXGJEOBOKO-YUTCNCBUSA-N -1 3 374.434 0.517 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)c1cnn(CCO)c1-c1ccccc1 ZINC001647857790 1291079521 /nfs/dbraw/zinc/07/95/21/1291079521.db2.gz AWIHKMOGYBQLMR-CQSZACIVSA-N -1 3 355.398 0.784 10 0 FCAEHM Nc1cn[nH]c1[C@H]1CCN(C(=O)c2nc[n-]c(=O)c2Br)C1 ZINC001647953838 1291088931 /nfs/dbraw/zinc/08/89/31/1291088931.db2.gz FNCGDGJRRUNMJX-LURJTMIESA-N -1 3 353.180 0.880 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](c3cn(C)nn3)C2)c(C)o1 ZINC001648645129 1291135246 /nfs/dbraw/zinc/13/52/46/1291135246.db2.gz GSCGAIHKEKEKFF-NSHDSACASA-N -1 3 367.431 0.644 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)C2CCN(CC(F)(F)F)CC2)[n-]1 ZINC001650943315 1291187639 /nfs/dbraw/zinc/18/76/39/1291187639.db2.gz FNNFGHAGKDKPKB-UHFFFAOYSA-N -1 3 363.340 0.872 10 0 FCAEHM O=C(NCc1cn(CC(F)(F)F)c(=O)[nH]c1=O)c1c([O-])cccc1O ZINC001651235606 1291207688 /nfs/dbraw/zinc/20/76/88/1291207688.db2.gz PIAWPEVEOYNTIF-UHFFFAOYSA-N -1 3 359.260 0.852 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)C[C@@H]3CCCS3(=O)=O)CC2)n1 ZINC001652070966 1291257623 /nfs/dbraw/zinc/25/76/23/1291257623.db2.gz KHHIQFSAYFLBLR-LBPRGKRZSA-N -1 3 354.432 0.107 10 0 FCAEHM CCOC(=O)N1C[C@H](NC(=O)c2cc(NC(C)=O)ccc2[O-])[C@@H](CO)C1 ZINC001653464070 1291346007 /nfs/dbraw/zinc/34/60/07/1291346007.db2.gz ROLHXTUUGJSRSO-RISCZKNCSA-N -1 3 365.386 0.530 10 0 FCAEHM C[C@H](C(=O)NCC(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12)[C@@H]1CCCO1 ZINC001654253524 1291402158 /nfs/dbraw/zinc/40/21/58/1291402158.db2.gz SMEUUNGTWYVIIB-CABZTGNLSA-N -1 3 360.370 0.911 10 0 FCAEHM CCOC(=O)[C@@H](C)C1CN(C(=O)C[N-]S(=O)(=O)c2c(C)noc2C)C1 ZINC001654801268 1291436050 /nfs/dbraw/zinc/43/60/50/1291436050.db2.gz ZVDYATLRVCGBKF-VIFPVBQESA-N -1 3 373.431 0.227 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N(C)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001678225294 1292253875 /nfs/dbraw/zinc/25/38/75/1292253875.db2.gz ZJQQDGDFUGPYNO-YUSALJHKSA-N -1 3 358.402 0.594 10 0 FCAEHM C[C@@H]1CCN(C(=O)c2cnc[n-]c2=O)[C@H](CNC(=O)[C@]2(F)CCOC2)C1 ZINC001684733134 1292324124 /nfs/dbraw/zinc/32/41/24/1292324124.db2.gz NURFPJAXMFRXLK-PEBVRCNWSA-N -1 3 366.393 0.668 10 0 FCAEHM CCC(=O)N[C@@H](C)C(=O)N1CC[C@H](NC(=O)c2cnc[n-]c2=O)[C@H]1CC ZINC001684944048 1292376483 /nfs/dbraw/zinc/37/64/83/1292376483.db2.gz GVZCWEZITOIASI-WCFLWFBJSA-N -1 3 363.418 0.206 10 0 FCAEHM COCCCC(=O)N1C[C@@H]2CN(C(=O)c3c(C)nc[n-]c3=O)CC[C@@H]2C1 ZINC001685040882 1292405213 /nfs/dbraw/zinc/40/52/13/1292405213.db2.gz PWIXWMWJWITUEL-KGLIPLIRSA-N -1 3 362.430 0.838 10 0 FCAEHM CN(CC(=O)NC(C)(C)C)C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001685645328 1292581645 /nfs/dbraw/zinc/58/16/45/1292581645.db2.gz QRMRUARNHCNAIO-NSHDSACASA-N -1 3 350.423 0.317 10 0 FCAEHM O=C(CNC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)NCc1ccccc1 ZINC001685645783 1292581708 /nfs/dbraw/zinc/58/17/08/1292581708.db2.gz ZCVZKZIVWZLHOD-AWEZNQCLSA-N -1 3 370.413 0.377 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CCSC[C@@H]1CCO ZINC001685649494 1292583268 /nfs/dbraw/zinc/58/32/68/1292583268.db2.gz LFDPOUYSGDCWCF-RYUDHWBXSA-N -1 3 353.448 0.270 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CCNC(=O)Cc1ccon1 ZINC001685834437 1292652096 /nfs/dbraw/zinc/65/20/96/1292652096.db2.gz RLIUVVHQENRMLB-VXGBXAGGSA-N -1 3 359.386 0.627 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N[C@H]1CCO[C@]2(CCOC2)C1 ZINC001685921912 1292698279 /nfs/dbraw/zinc/69/82/79/1292698279.db2.gz WRSOZOXMOAGXIV-OGHNNQOOSA-N -1 3 363.418 0.398 10 0 FCAEHM NC(=O)NC1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccccc2[O-])C3)CC1 ZINC001685963815 1292709099 /nfs/dbraw/zinc/70/90/99/1292709099.db2.gz GMGHTGPTKRYIEW-WXHSDQCUSA-N -1 3 358.398 0.455 10 0 FCAEHM O=C(CCC(F)F)N1C[C@@H](C(F)(F)F)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001686321120 1292902997 /nfs/dbraw/zinc/90/29/97/1292902997.db2.gz OVSZXZLUCFWXLM-HTRCEHHLSA-N -1 3 355.267 0.969 10 0 FCAEHM O=C(NCCNC(=O)[C@]12CCC[C@H]1OCC2)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001686798211 1292959218 /nfs/dbraw/zinc/95/92/18/1292959218.db2.gz JBTYGDUAMVYEPZ-KUHUBIRLSA-N -1 3 371.393 0.375 10 0 FCAEHM CCN(CCCNC(=O)c1c(C)nc[n-]c1=O)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001687761142 1293009649 /nfs/dbraw/zinc/00/96/49/1293009649.db2.gz HTYGBZHVTIRQQG-AQRJEWBLSA-N -1 3 374.441 0.882 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CC[C@H](Cn2ccnn2)C1 ZINC001687789865 1293014072 /nfs/dbraw/zinc/01/40/72/1293014072.db2.gz NENCYFRPNMYKCF-QWHCGFSZSA-N -1 3 358.406 0.084 10 0 FCAEHM Cn1nccc1[C@@H]1COCCN1C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001687789879 1293014244 /nfs/dbraw/zinc/01/42/44/1293014244.db2.gz NJXBJDOLYPSAGJ-OCCSQVGLSA-N -1 3 373.417 0.278 10 0 FCAEHM Cc1cccc(NC(=O)COC(=O)C[N-]S(=O)(=O)CCOC(C)C)c1 ZINC000748149975 836287160 /nfs/dbraw/zinc/28/71/60/836287160.db2.gz WORYAMZTRYHXGP-UHFFFAOYSA-N -1 3 372.443 0.821 10 0 FCAEHM COCc1nc(C[N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)n[nH]1 ZINC001118444122 847425802 /nfs/dbraw/zinc/42/58/02/847425802.db2.gz OSKMUBHZDLCSDM-UHFFFAOYSA-N -1 3 354.314 0.182 10 0 FCAEHM C[C@H]1CSCCCN1C(=O)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC001119788885 847979268 /nfs/dbraw/zinc/97/92/68/847979268.db2.gz WMRZEUIATBKYSK-ZETCQYMHSA-N -1 3 351.354 0.794 10 0 FCAEHM C[C@H]1CN(c2nnc(-c3nnc(Cl)[n-]3)n2C[C@H]2CCOC2)CCO1 ZINC001123235352 848580024 /nfs/dbraw/zinc/58/00/24/848580024.db2.gz GJXPZEWVYDBEFG-VHSXEESVSA-N -1 3 353.814 0.978 10 0 FCAEHM C[C@H]1CN(c2nnc(-c3n[n-]c(Cl)n3)n2C[C@H]2CCOC2)CCO1 ZINC001123235352 848580030 /nfs/dbraw/zinc/58/00/30/848580030.db2.gz GJXPZEWVYDBEFG-VHSXEESVSA-N -1 3 353.814 0.978 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H]3C(=O)OC[C@@H]3C2)ccc1F ZINC001131828809 849135687 /nfs/dbraw/zinc/13/56/87/849135687.db2.gz IKLDPNPPTDHACK-RYUDHWBXSA-N -1 3 370.402 0.757 10 0 FCAEHM CNC(=O)c1cccc([N-]C(=O)c2nnc(C(C)(C)S(C)(=O)=O)o2)c1 ZINC001136058465 849205871 /nfs/dbraw/zinc/20/58/71/849205871.db2.gz NVUIDAIEJWVAGZ-UHFFFAOYSA-N -1 3 366.399 0.961 10 0 FCAEHM O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1nc[n-]c(=O)c1Br ZINC001136492915 849223968 /nfs/dbraw/zinc/22/39/68/849223968.db2.gz NMLQBEWVMRQCJP-DTWKUNHWSA-N -1 3 357.208 0.538 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1nc(N2CCCC2)ncc1Cl ZINC001136653679 849232882 /nfs/dbraw/zinc/23/28/82/849232882.db2.gz DFAVQYMGZPYDLV-JTQLQIEISA-N -1 3 350.810 0.972 10 0 FCAEHM C[C@@H](CNC(=O)c1nc[n-]c(=O)c1Br)CN1CCOCC1 ZINC001136961704 849250717 /nfs/dbraw/zinc/25/07/17/849250717.db2.gz XAOAKPUWOSAYPJ-VIFPVBQESA-N -1 3 359.224 0.643 10 0 FCAEHM CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)/C=C\Cn1cncn1 ZINC001137301322 849262134 /nfs/dbraw/zinc/26/21/34/849262134.db2.gz GCJMIGFSCSMQPK-UTCJRWHESA-N -1 3 353.379 0.661 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(Br)c(C=O)n1C ZINC001144232721 849513338 /nfs/dbraw/zinc/51/33/38/849513338.db2.gz HCNXHKPKOKYDKI-MRVPVSSYSA-N -1 3 355.192 0.842 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2COCCC2(OC)OC)c(C)o1 ZINC001148245370 849605735 /nfs/dbraw/zinc/60/57/35/849605735.db2.gz BRQBRYZXUUJFIT-LLVKDONJSA-N -1 3 362.404 0.004 10 0 FCAEHM CC(C)S(=O)(=O)c1cccc(C(=O)[N-]N2C(=O)[C@H](C)N(C)C2=O)c1 ZINC001167406122 850543350 /nfs/dbraw/zinc/54/33/50/850543350.db2.gz XXDFZYJBJCAJBP-JTQLQIEISA-N -1 3 353.400 0.796 10 0 FCAEHM Cc1nc(C)c(CC(=O)N[C@@H]2CCS(=O)(=O)C3(CCC3)C2)c(=O)[n-]1 ZINC001178547230 850907006 /nfs/dbraw/zinc/90/70/06/850907006.db2.gz BUGSGXJOJMNBIZ-GFCCVEGCSA-N -1 3 353.444 0.958 10 0 FCAEHM COCCS(=O)(=O)CC(=O)Nc1cc(C(=O)OC)cc(OC)c1[O-] ZINC001179883070 851003906 /nfs/dbraw/zinc/00/39/06/851003906.db2.gz GPSRXNNMHGPTFJ-UHFFFAOYSA-N -1 3 361.372 0.187 10 0 FCAEHM CS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)o1 ZINC001180028847 851010132 /nfs/dbraw/zinc/01/01/32/851010132.db2.gz VKFWAITUKQHQOW-VIFPVBQESA-N -1 3 352.372 0.187 10 0 FCAEHM CNS(=O)(=O)C[C@H]1CCCN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001261839708 858682786 /nfs/dbraw/zinc/68/27/86/858682786.db2.gz KYXUJFPQKVHUDX-JTQLQIEISA-N -1 3 354.432 0.461 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)N[C@@](C)(CNCc1nc(=O)n(C)[n-]1)C1CC1 ZINC001269619590 859550999 /nfs/dbraw/zinc/55/09/99/859550999.db2.gz QXMLWJWTGVOVDH-WHCBVINPSA-N -1 3 351.451 0.298 10 0 FCAEHM Cn1ncc(CCC(=O)Nc2ncc(S(=O)(=O)[N-]C(C)(C)C)s2)n1 ZINC001287882717 864757048 /nfs/dbraw/zinc/75/70/48/864757048.db2.gz PXDSQSDIHCNCFW-UHFFFAOYSA-N -1 3 372.476 0.920 10 0 FCAEHM C[C@H](CC(F)(F)F)C(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1 ZINC001289659637 865203335 /nfs/dbraw/zinc/20/33/35/865203335.db2.gz PEJDQOGRDLLGEB-QNSHHTMESA-N -1 3 362.308 0.072 10 0 FCAEHM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCC(CN2CCOCC2)CC1 ZINC001291003747 865582425 /nfs/dbraw/zinc/58/24/25/865582425.db2.gz OIEOGFIFOMBBMD-UHFFFAOYSA-N -1 3 353.423 0.040 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(S(C)(=O)=O)ncc1Cl ZINC001292969889 865765221 /nfs/dbraw/zinc/76/52/21/865765221.db2.gz PXQZKDJQKHDBRP-QMMMGPOBSA-N -1 3 358.807 0.380 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(S(C)(=O)=O)ncc1Cl ZINC001292969887 865765941 /nfs/dbraw/zinc/76/59/41/865765941.db2.gz PXQZKDJQKHDBRP-MRVPVSSYSA-N -1 3 358.807 0.380 10 0 FCAEHM CC1(C)CN(C(=O)c2nc[n-]c(=O)c2Br)CCN1CCO ZINC001296497391 865971551 /nfs/dbraw/zinc/97/15/51/865971551.db2.gz LIKOXVOLTGBGBT-UHFFFAOYSA-N -1 3 359.224 0.473 10 0 FCAEHM COCCO[C@@H]1C[C@@H](CO)CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001297261664 866018400 /nfs/dbraw/zinc/01/84/00/866018400.db2.gz YAVGDMCLBPFSFJ-DGCLKSJQSA-N -1 3 351.403 0.546 10 0 FCAEHM COC(=O)CC(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001297639511 866046518 /nfs/dbraw/zinc/04/65/18/866046518.db2.gz BCCLKLJXWDRJDT-UHFFFAOYSA-N -1 3 369.226 0.951 10 0 FCAEHM COCCN1[C@H](C)CN(C(=O)CNC(=O)c2ncccc2[O-])C[C@@H]1C ZINC001299893672 866199555 /nfs/dbraw/zinc/19/95/55/866199555.db2.gz WNRJSHXIZNNLFB-BETUJISGSA-N -1 3 350.419 0.085 10 0 FCAEHM NS(=O)(=O)c1cc(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)ccc1F ZINC001300198020 866214331 /nfs/dbraw/zinc/21/43/31/866214331.db2.gz OVTWKKFBGZWUFN-UHFFFAOYSA-N -1 3 358.376 0.187 10 0 FCAEHM C[C@@]12CCC(=O)N1[C@H](C(=O)N1CCC(Cc3nnn[n-]3)CC1)CS2 ZINC001349108280 866236836 /nfs/dbraw/zinc/23/68/36/866236836.db2.gz NLNIGEVAJZJKNK-XHDPSFHLSA-N -1 3 350.448 0.435 10 0 FCAEHM C[C@@]12CCC(=O)N1[C@H](C(=O)N1CCC(Cc3nn[n-]n3)CC1)CS2 ZINC001349108280 866236852 /nfs/dbraw/zinc/23/68/52/866236852.db2.gz NLNIGEVAJZJKNK-XHDPSFHLSA-N -1 3 350.448 0.435 10 0 FCAEHM CN(C)S(=O)(=O)c1ccc(F)c(C(=O)NCCCc2c[n-][nH]c2=O)c1 ZINC001301561777 866271201 /nfs/dbraw/zinc/27/12/01/866271201.db2.gz PTOBXRLJSSVCOA-JTQLQIEISA-N -1 3 370.406 0.318 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)OC[C@H]2CCN2C2CCOCC2)o1 ZINC001349759876 866433547 /nfs/dbraw/zinc/43/35/47/866433547.db2.gz FCUHIWUIRWLXIA-GFCCVEGCSA-N -1 3 358.416 0.598 10 0 FCAEHM O=C(NCc1ccc([O-])c(Br)c1)C(=O)N1CC=C[C@@H]1CO ZINC001350461984 866600463 /nfs/dbraw/zinc/60/04/63/866600463.db2.gz ZBSIHUUFOIFKML-SNVBAGLBSA-N -1 3 355.188 0.530 10 0 FCAEHM CC[C@@H](COCC1CC1)NC(=O)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC001350832849 866703634 /nfs/dbraw/zinc/70/36/34/866703634.db2.gz BUIZEFLLXWHUAR-VIFPVBQESA-N -1 3 363.340 0.761 10 0 FCAEHM CN(C[C@@H]1COCCO1)c1nnc(-c2nnc(Cl)[n-]2)n1CC1CC1 ZINC001351334477 866836199 /nfs/dbraw/zinc/83/61/99/866836199.db2.gz YIYOTEARMMURHF-SNVBAGLBSA-N -1 3 353.814 0.978 10 0 FCAEHM CN(C[C@@H]1COCCO1)c1nnc(-c2n[n-]c(Cl)n2)n1CC1CC1 ZINC001351334477 866836206 /nfs/dbraw/zinc/83/62/06/866836206.db2.gz YIYOTEARMMURHF-SNVBAGLBSA-N -1 3 353.814 0.978 10 0 FCAEHM COC[C@H]([N-]S(=O)(=O)C1CCS(=O)(=O)CC1)c1ccc(C)o1 ZINC001319319316 867883757 /nfs/dbraw/zinc/88/37/57/867883757.db2.gz BCPFTSUAOHXNPO-LBPRGKRZSA-N -1 3 351.446 0.772 10 0 FCAEHM Cn1ncc(NC(=O)C(=O)NCc2nc(C(F)(F)F)n[n-]2)c1C(F)F ZINC001320398149 868157499 /nfs/dbraw/zinc/15/74/99/868157499.db2.gz KIPNUODSCPTCQR-UHFFFAOYSA-N -1 3 367.238 0.750 10 0 FCAEHM O=C(NCc1nc(C(F)(F)F)n[n-]1)C(=O)N1CC[C@]2(CC2(F)F)C1 ZINC001326726308 870470057 /nfs/dbraw/zinc/47/00/57/870470057.db2.gz NTPZLZKRFUCFDU-JTQLQIEISA-N -1 3 353.251 0.697 10 0 FCAEHM CN1CCC2(CC1)CN(S(=O)(=O)c1ccc(C(=O)[O-])cc1)CCO2 ZINC001327070814 870649774 /nfs/dbraw/zinc/64/97/74/870649774.db2.gz IIEIKPLGHBQIDW-UHFFFAOYSA-N -1 3 354.428 0.870 10 0 FCAEHM CCOC(=O)N1CCC(NC(=O)CN2CC[C@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC001327208794 870718013 /nfs/dbraw/zinc/71/80/13/870718013.db2.gz PNHSUBYCNBIPOT-GXTWGEPZSA-N -1 3 355.435 0.766 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)c2ccccc2[O-])CCN1C(=O)C(=O)NCC(F)F ZINC001345255623 871251484 /nfs/dbraw/zinc/25/14/84/871251484.db2.gz ZTUMDDLDSUVLQQ-KOLCDFICSA-N -1 3 355.341 0.493 10 0 FCAEHM O=C(NCc1nc(C(F)(F)F)n[n-]1)C(=O)NC1CC2(CC2(F)F)C1 ZINC001328162093 871257624 /nfs/dbraw/zinc/25/76/24/871257624.db2.gz OBRNINULWRKBQR-UHFFFAOYSA-N -1 3 353.251 0.744 10 0 FCAEHM C[C@H]1CC[C@@H](NC(=O)C(=O)NCc2ccc([O-])c(F)c2)CS1(=O)=O ZINC001328247717 871310805 /nfs/dbraw/zinc/31/08/05/871310805.db2.gz ZUUZQABPOVZUFK-GXSJLCMTSA-N -1 3 358.391 0.229 10 0 FCAEHM Cc1[nH]nc(C(=O)N2C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C2)c1[O-] ZINC001346120463 871656427 /nfs/dbraw/zinc/65/64/27/871656427.db2.gz IWBDSPSSWFXHIV-DGCLKSJQSA-N -1 3 351.451 0.588 10 0 FCAEHM Cn1cc(C[N-]S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)nn1 ZINC001346157480 871675617 /nfs/dbraw/zinc/67/56/17/871675617.db2.gz ZVXBRKKQAOBRHL-UHFFFAOYSA-N -1 3 357.779 0.278 10 0 FCAEHM Cn1cnnc1C[N-]S(=O)(=O)Cc1ncsc1Br ZINC001329375371 871986170 /nfs/dbraw/zinc/98/61/70/871986170.db2.gz KIGPZAFNBICHAH-UHFFFAOYSA-N -1 3 352.239 0.654 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]c1ccc(N(C)C(C)=O)nc1)[C@@H]1CCOC1 ZINC001330128865 872479648 /nfs/dbraw/zinc/47/96/48/872479648.db2.gz PKHFDRZSSXCZPH-TZMCWYRMSA-N -1 3 357.432 0.858 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]C1(c2cc(C)no2)CCOCC1)[C@@H]1CCOC1 ZINC001348200548 872626563 /nfs/dbraw/zinc/62/65/63/872626563.db2.gz XOCRGPNXBGDHGB-KGLIPLIRSA-N -1 3 374.459 0.960 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](OC)C[C@]2(C)CO)ccc1F ZINC001348765649 872788482 /nfs/dbraw/zinc/78/84/82/872788482.db2.gz JQQSUSYINNWCBO-IAQYHMDHSA-N -1 3 360.407 0.346 10 0 FCAEHM COC(=O)C[C@@H](CNC(=O)C(=O)NCc1ccc([O-])c(F)c1)C1CC1 ZINC001331088005 872953464 /nfs/dbraw/zinc/95/34/64/872953464.db2.gz ALRZWJISEHYGCS-LBPRGKRZSA-N -1 3 352.362 0.853 10 0 FCAEHM C[C@@H](NC(=O)C(=O)N(C)CCN1CCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001332945734 873727538 /nfs/dbraw/zinc/72/75/38/873727538.db2.gz OMHABLDDAKOKOP-HZSPNIEDSA-N -1 3 353.463 0.792 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)CCC(=O)N3CCOCC3)cc2n(C)c1=O ZINC000291643659 214048472 /nfs/dbraw/zinc/04/84/72/214048472.db2.gz VUEHYKSGZREWLK-UHFFFAOYSA-N -1 3 362.386 0.160 10 0 FCAEHM C[C@@H]1C[C@H]1CNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000265987748 210260813 /nfs/dbraw/zinc/26/08/13/210260813.db2.gz YDCHUEKLUXSSNT-ZJUUUORDSA-N -1 3 369.418 0.977 10 0 FCAEHM CN(C)c1ccc(C2(C(=O)N3CCC[C@@]4(C3)NC(=O)[N-]C4=O)CC2)cc1 ZINC000294219469 214232151 /nfs/dbraw/zinc/23/21/51/214232151.db2.gz LSRRAYMNSJUDBL-IBGZPJMESA-N -1 3 356.426 0.985 10 0 FCAEHM CCOc1ccncc1S(=O)(=O)[N-]CCCN(C)S(=O)(=O)CC ZINC000295253011 214285774 /nfs/dbraw/zinc/28/57/74/214285774.db2.gz WYKMZYIEVCBDQN-UHFFFAOYSA-N -1 3 365.477 0.430 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCc1nnc(C2CC2)[nH]1 ZINC000295566281 214306096 /nfs/dbraw/zinc/30/60/96/214306096.db2.gz ZERYVTVEBMUUOR-VIFPVBQESA-N -1 3 367.406 0.804 10 0 FCAEHM CC[C@H](NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O)[C@@H](O)C(F)F ZINC000296380142 214347776 /nfs/dbraw/zinc/34/77/76/214347776.db2.gz VPIDXROGAUBSQD-WCQYABFASA-N -1 3 355.341 0.601 10 0 FCAEHM COc1ccc(S(=O)(=O)N2C[C@H](C)[C@@H]2C)cc1[C@]1(C)NC(=O)[N-]C1=O ZINC000297256907 214389107 /nfs/dbraw/zinc/38/91/07/214389107.db2.gz YMNDMBKAZYJYDO-PUTJDCORSA-N -1 3 367.427 0.779 10 0 FCAEHM Cc1nn(C)c(C)c1OCC(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000291493268 214038425 /nfs/dbraw/zinc/03/84/25/214038425.db2.gz GZZLTGBCKWWAOG-UHFFFAOYSA-N -1 3 359.386 0.950 10 0 FCAEHM CCOC(=O)CC[C@H](C)NC(=O)C[N-]S(=O)(=O)c1ccccc1F ZINC000291502285 214038247 /nfs/dbraw/zinc/03/82/47/214038247.db2.gz SGWQGDMPCQKMTF-NSHDSACASA-N -1 3 360.407 0.952 10 0 FCAEHM C[C@H]1CCN(C[C@H](O)C[C@]2(O)CCOC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000930488666 674031815 /nfs/dbraw/zinc/03/18/15/674031815.db2.gz LOBNCQNVXOHKPM-DKBOKBLXSA-N -1 3 368.396 0.666 10 0 FCAEHM CN1C[C@H](NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)CCC1=O ZINC000265743355 210211737 /nfs/dbraw/zinc/21/17/37/210211737.db2.gz DRGUGXZKYAXXEK-CQSZACIVSA-N -1 3 360.414 0.480 10 0 FCAEHM CCc1ncc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2CNS(C)(=O)=O)s1 ZINC000409798444 529759346 /nfs/dbraw/zinc/75/93/46/529759346.db2.gz OHJQMKRYGBPCAH-ZJUUUORDSA-N -1 3 367.518 0.702 10 0 FCAEHM CCc1ncc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2CNS(C)(=O)=O)s1 ZINC000409798443 529759418 /nfs/dbraw/zinc/75/94/18/529759418.db2.gz OHJQMKRYGBPCAH-VHSXEESVSA-N -1 3 367.518 0.702 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000265722524 210206975 /nfs/dbraw/zinc/20/69/75/210206975.db2.gz ZSYABOMUSFTCCS-ZJUUUORDSA-N -1 3 366.486 0.060 10 0 FCAEHM CN1C[C@@H](NC(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)CCC1=O ZINC000265660323 210191004 /nfs/dbraw/zinc/19/10/04/210191004.db2.gz AWYRPUBDNVRPBC-AWEZNQCLSA-N -1 3 360.414 0.480 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000265432600 210133513 /nfs/dbraw/zinc/13/35/13/210133513.db2.gz GUMZHKVMSCNJTI-AWEZNQCLSA-N -1 3 373.413 0.741 10 0 FCAEHM CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1nc(CC(=O)OC)n[n-]1 ZINC000265422091 210130105 /nfs/dbraw/zinc/13/01/05/210130105.db2.gz FZPXGEXPSXMPHL-RKDXNWHRSA-N -1 3 355.420 0.406 10 0 FCAEHM CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1nnc(CC(=O)OC)[n-]1 ZINC000265422091 210130109 /nfs/dbraw/zinc/13/01/09/210130109.db2.gz FZPXGEXPSXMPHL-RKDXNWHRSA-N -1 3 355.420 0.406 10 0 FCAEHM CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1n[n-]c(CC(=O)OC)n1 ZINC000265422091 210130112 /nfs/dbraw/zinc/13/01/12/210130112.db2.gz FZPXGEXPSXMPHL-RKDXNWHRSA-N -1 3 355.420 0.406 10 0 FCAEHM COC(=O)CN(CCN1CCOCC1)C(=O)c1cccc(OC)c1[O-] ZINC000265337448 210100636 /nfs/dbraw/zinc/10/06/36/210100636.db2.gz AJXKNORCZGVQKV-UHFFFAOYSA-N -1 3 352.387 0.348 10 0 FCAEHM CCOc1cc2c(cc1OCC)CN(C(=O)CN1CC(=O)[N-]C1=O)CC2 ZINC000264871185 210004337 /nfs/dbraw/zinc/00/43/37/210004337.db2.gz REJDDXNBZNKXSR-UHFFFAOYSA-N -1 3 361.398 0.921 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000264853356 210000048 /nfs/dbraw/zinc/00/00/48/210000048.db2.gz NMMNSSYJVWPCNZ-UHFFFAOYSA-N -1 3 373.438 0.492 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000333070735 215230801 /nfs/dbraw/zinc/23/08/01/215230801.db2.gz OTEQIEOIIALUIF-WBVHZDCISA-N -1 3 373.453 0.930 10 0 FCAEHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000360971996 215376741 /nfs/dbraw/zinc/37/67/41/215376741.db2.gz GLORQDDZCGXELB-CYBMUJFWSA-N -1 3 371.393 0.281 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000361279437 215387745 /nfs/dbraw/zinc/38/77/45/215387745.db2.gz XLWWVCPQKTVGCN-NSHDSACASA-N -1 3 353.382 0.889 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000361279437 215387749 /nfs/dbraw/zinc/38/77/49/215387749.db2.gz XLWWVCPQKTVGCN-NSHDSACASA-N -1 3 353.382 0.889 10 0 FCAEHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H]2CCC(=O)N(C)C2)c1 ZINC000285183150 213297789 /nfs/dbraw/zinc/29/77/89/213297789.db2.gz NDCHEVKCLDXFRS-NSHDSACASA-N -1 3 358.391 0.902 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](CO)C[C@@H](O)C(C)(C)C)c(C)o1 ZINC000284756742 213213421 /nfs/dbraw/zinc/21/34/21/213213421.db2.gz UUVCEHVIWLFBAD-GXFFZTMASA-N -1 3 363.432 0.811 10 0 FCAEHM CN1CCO[C@@H]2CCN(C(=O)c3ccc([C@@]4(C)NC(=O)[N-]C4=O)cc3)C[C@@H]21 ZINC000284399649 213130244 /nfs/dbraw/zinc/13/02/44/213130244.db2.gz CBEXWPQVKXKKBG-QMTMVMCOSA-N -1 3 372.425 0.286 10 0 FCAEHM CN(C)C[C@@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000411911272 237103303 /nfs/dbraw/zinc/10/33/03/237103303.db2.gz NLWDQBZPDFPIKV-NSHDSACASA-N -1 3 361.414 0.796 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CC[C@@](F)(c3ccccc3)C2)c1 ZINC000367306573 216105369 /nfs/dbraw/zinc/10/53/69/216105369.db2.gz YPBHUJJVCJPDOQ-INIZCTEOSA-N -1 3 366.418 0.796 10 0 FCAEHM CS(=O)(=O)[N-]c1cc(C(=O)N2CCNC[C@H]2C(F)F)ccc1F ZINC000368009361 216192296 /nfs/dbraw/zinc/19/22/96/216192296.db2.gz NEXRLLYFOXMHHP-NSHDSACASA-N -1 3 351.350 0.876 10 0 FCAEHM CN1CC[C@@H](NC(=O)CN2CC(=O)[N-]C2=O)[C@H]1c1ccc(F)c(F)c1 ZINC000245648782 209371156 /nfs/dbraw/zinc/37/11/56/209371156.db2.gz CTHWHYKLKYGVGE-IUODEOHRSA-N -1 3 352.341 0.378 10 0 FCAEHM Cc1cn(-c2ccccc2)nc1C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000195006093 209331971 /nfs/dbraw/zinc/33/19/71/209331971.db2.gz LBGAOOXFUYUBRH-SFHVURJKSA-N -1 3 353.382 0.995 10 0 FCAEHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCOCC(N)=O ZINC000230202426 209342086 /nfs/dbraw/zinc/34/20/86/209342086.db2.gz HHAJOVMOEJTCEE-UHFFFAOYSA-N -1 3 367.221 0.238 10 0 FCAEHM Cc1nc([C@H]([N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C)c2ccccc2)n[nH]1 ZINC000193895416 209319884 /nfs/dbraw/zinc/31/98/84/209319884.db2.gz MXCOLNNSUQXKDL-GXFFZTMASA-N -1 3 351.432 0.599 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)NCCc1nnc2n1CCCC2 ZINC000368620816 216271721 /nfs/dbraw/zinc/27/17/21/216271721.db2.gz FDOPUCVWBRFDID-UHFFFAOYSA-N -1 3 369.472 0.313 10 0 FCAEHM O=C1[C@H]([N-]S(=O)(=O)CCN2CCCC2)CCCN1c1cccnc1 ZINC000189814982 209261381 /nfs/dbraw/zinc/26/13/81/209261381.db2.gz CVMCMWZYRNOFEN-OAHLLOKOSA-N -1 3 352.460 0.592 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000277616314 212380191 /nfs/dbraw/zinc/38/01/91/212380191.db2.gz RDDSGQGBWHQTAB-PMUMKWKESA-N -1 3 363.389 0.614 10 0 FCAEHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)[C@@H](O)C(=O)OC)c1 ZINC000277132759 212333114 /nfs/dbraw/zinc/33/31/14/212333114.db2.gz WRWZKLKQWVRYMG-NSHDSACASA-N -1 3 363.363 0.203 10 0 FCAEHM COC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H](C)C(=O)N(C)C)s1 ZINC000277006468 212317621 /nfs/dbraw/zinc/31/76/21/212317621.db2.gz HMDLVZFVCNEHMH-VIFPVBQESA-N -1 3 363.461 0.402 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H](C)c1ncnn1C ZINC000276874073 212301341 /nfs/dbraw/zinc/30/13/41/212301341.db2.gz LSEZSHVRMKXBNZ-UWVGGRQHSA-N -1 3 355.395 0.498 10 0 FCAEHM COC(=O)[C@@H](O)C(C)(C)[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000276856895 212298054 /nfs/dbraw/zinc/29/80/54/212298054.db2.gz AFSDNMYKHNWKFD-SECBINFHSA-N -1 3 367.221 0.435 10 0 FCAEHM COC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H](C)c2ncnn2C)s1 ZINC000276727704 212281483 /nfs/dbraw/zinc/28/14/83/212281483.db2.gz QIHNKPWXXXATRQ-VIFPVBQESA-N -1 3 373.460 0.815 10 0 FCAEHM CCn1cnnc1C[N-]S(=O)(=O)c1ccc(CCNC(=O)OC)s1 ZINC000276442817 212234900 /nfs/dbraw/zinc/23/49/00/212234900.db2.gz FNBRWPNZHLYXIC-UHFFFAOYSA-N -1 3 373.460 0.737 10 0 FCAEHM CCN1CCCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)CC1=O ZINC000276367225 212220560 /nfs/dbraw/zinc/22/05/60/212220560.db2.gz QHINDKZXMUFVOP-LBPRGKRZSA-N -1 3 371.434 0.573 10 0 FCAEHM CCN(C)C(=O)C[N-]S(=O)(=O)c1ccc(CCNC(=O)OC)s1 ZINC000276297566 212207871 /nfs/dbraw/zinc/20/78/71/212207871.db2.gz ZUTQSZNWDYDPKI-UHFFFAOYSA-N -1 3 363.461 0.403 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000371384353 216722401 /nfs/dbraw/zinc/72/24/01/216722401.db2.gz KHICHEPEQIEEAU-RYUDHWBXSA-N -1 3 369.324 0.786 10 0 FCAEHM COC[C@H](CCO)[N-]S(=O)(=O)c1ccc(CCNC(=O)OC)s1 ZINC000276228031 212191308 /nfs/dbraw/zinc/19/13/08/212191308.db2.gz NBROKKMMNLJUDB-JTQLQIEISA-N -1 3 366.461 0.322 10 0 FCAEHM COC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H](C)[C@@H](C)CO)s1 ZINC000276198146 212183004 /nfs/dbraw/zinc/18/30/04/212183004.db2.gz IHODITHZTKSMCH-UWVGGRQHSA-N -1 3 350.462 0.942 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(C)[C@@H]1CCN(C)C1=O ZINC000276177279 212178908 /nfs/dbraw/zinc/17/89/08/212178908.db2.gz XBTWJDQXYNLEMO-SNVBAGLBSA-N -1 3 367.427 0.861 10 0 FCAEHM CCOC(=O)c1cn[n-]c1S(=O)(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)OC ZINC000276177655 212179246 /nfs/dbraw/zinc/17/92/46/212179246.db2.gz VCNIKZWBRRIEKE-HOSYDEDBSA-N -1 3 371.415 0.549 10 0 FCAEHM CCOC(=O)c1c[n-]nc1S(=O)(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)OC ZINC000276177655 212179248 /nfs/dbraw/zinc/17/92/48/212179248.db2.gz VCNIKZWBRRIEKE-HOSYDEDBSA-N -1 3 371.415 0.549 10 0 FCAEHM CO[C@H](C)[C@H](C)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000276066443 212151465 /nfs/dbraw/zinc/15/14/65/212151465.db2.gz JJPIXYCHOOUJBC-WDEREUQCSA-N -1 3 350.462 0.639 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(C)CCC(=O)NC ZINC000275887097 212112525 /nfs/dbraw/zinc/11/25/25/212112525.db2.gz RLTVBCMHWRTFRN-UHFFFAOYSA-N -1 3 355.416 0.766 10 0 FCAEHM CC(C)OCCS(=O)(=O)[N-]CC(=O)Nc1cccc2c1OCC[C@H]2O ZINC000373344319 217009364 /nfs/dbraw/zinc/00/93/64/217009364.db2.gz ABIXIATXACKZJL-CQSZACIVSA-N -1 3 372.443 0.785 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCOc2c(Br)cccc2C1 ZINC000373419505 217016897 /nfs/dbraw/zinc/01/68/97/217016897.db2.gz VRDMEJHLLPIZRS-UHFFFAOYSA-N -1 3 368.187 0.722 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000184126341 209156951 /nfs/dbraw/zinc/15/69/51/209156951.db2.gz VDXUQAMGTLEWQN-SECBINFHSA-N -1 3 359.308 0.617 10 0 FCAEHM O=C(CC[C@@H]1NC(=O)[N-]C1=O)N1CCOC[C@@H]1Cc1c[nH]c2ccccc12 ZINC000374346324 217120237 /nfs/dbraw/zinc/12/02/37/217120237.db2.gz QZNZNDZTLVXCEN-BBRMVZONSA-N -1 3 370.409 0.926 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](c2nc[nH]n2)c2ccccc2)o1 ZINC000374825983 217178695 /nfs/dbraw/zinc/17/86/95/217178695.db2.gz KZOOECXBMCFLAA-ZDUSSCGKSA-N -1 3 361.383 0.825 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](c2nnc[nH]2)c2ccccc2)o1 ZINC000374825983 217178697 /nfs/dbraw/zinc/17/86/97/217178697.db2.gz KZOOECXBMCFLAA-ZDUSSCGKSA-N -1 3 361.383 0.825 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000374930232 217192540 /nfs/dbraw/zinc/19/25/40/217192540.db2.gz RHCZATSEPURMSF-QWHCGFSZSA-N -1 3 371.434 0.036 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCO[C@H](C3CCCCC3)C2)c1 ZINC000374945855 217195290 /nfs/dbraw/zinc/19/52/90/217195290.db2.gz KIOPREYQLIYRMD-AWEZNQCLSA-N -1 3 370.475 0.506 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000375302619 217247554 /nfs/dbraw/zinc/24/75/54/217247554.db2.gz MCCKNIMEEXKWKH-ZDUSSCGKSA-N -1 3 352.341 0.602 10 0 FCAEHM CC(C)C[C@H](CNC(=O)C(=O)N1CCCC12CCN(C)CC2)C(=O)[O-] ZINC000424492798 247238062 /nfs/dbraw/zinc/23/80/62/247238062.db2.gz NDTBLNPXRMVEFG-CQSZACIVSA-N -1 3 353.463 0.936 10 0 FCAEHM CC(C)C[C@@H](CNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1)C(=O)[O-] ZINC000424494119 247239108 /nfs/dbraw/zinc/23/91/08/247239108.db2.gz PHTYQJFMPFKAJE-LSDHHAIUSA-N -1 3 353.463 0.936 10 0 FCAEHM CC(C)C[C@H](CNC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1)C(=O)[O-] ZINC000424478673 247232602 /nfs/dbraw/zinc/23/26/02/247232602.db2.gz GPICXBOSYQYIRR-HUUCEWRRSA-N -1 3 353.463 0.936 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)N[C@@H]1CC[C@H]1O ZINC000425735639 247372948 /nfs/dbraw/zinc/37/29/48/247372948.db2.gz NOZUZSMVRZZXNT-HTQZYQBOSA-N -1 3 353.853 0.502 10 0 FCAEHM COC(=O)[C@@H](CNC(=O)C(=O)[N-]c1cnns1)Cc1cccc(F)c1 ZINC000430064554 247676830 /nfs/dbraw/zinc/67/68/30/247676830.db2.gz IAHPVJVARVCGRW-SNVBAGLBSA-N -1 3 366.374 0.764 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)Nc1cc(C)nn1C1CCOCC1 ZINC000434551033 247924970 /nfs/dbraw/zinc/92/49/70/247924970.db2.gz ZNDOELAUFWSXKN-UHFFFAOYSA-N -1 3 374.463 0.437 10 0 FCAEHM Cc1noc(CCNC(=O)NCC[N-]S(=O)(=O)c2cccs2)n1 ZINC000438018869 248074929 /nfs/dbraw/zinc/07/49/29/248074929.db2.gz NJZMGHJWSUPRNU-UHFFFAOYSA-N -1 3 359.433 0.260 10 0 FCAEHM CNC(=O)[C@]1(C)CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000437002685 248057422 /nfs/dbraw/zinc/05/74/22/248057422.db2.gz RUYHCOPWRQPUKL-AUUYWEPGSA-N -1 3 359.426 0.981 10 0 FCAEHM O=S(=O)([N-]CCNc1cncc(OCCO)n1)c1ccc(F)cc1F ZINC000440663589 248203206 /nfs/dbraw/zinc/20/32/06/248203206.db2.gz IZSXBXOJTPPMQK-UHFFFAOYSA-N -1 3 374.369 0.516 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCC(C(N)=O)CC1 ZINC000441664192 248258634 /nfs/dbraw/zinc/25/86/34/248258634.db2.gz PSQUIICFDYJDPF-UHFFFAOYSA-N -1 3 367.427 0.896 10 0 FCAEHM COCCO[C@@H]1CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000440572935 248197958 /nfs/dbraw/zinc/19/79/58/248197958.db2.gz CGEPPBONLAUFFR-QWHCGFSZSA-N -1 3 374.434 0.756 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(C)[C@@H]1CCNC1=O ZINC000442258217 248280400 /nfs/dbraw/zinc/28/04/00/248280400.db2.gz WAWRBYYCWMXBEK-SECBINFHSA-N -1 3 353.400 0.519 10 0 FCAEHM O=S(=O)([N-]C[C@@H]1CCS(=O)(=O)C1)c1cnccc1C(F)(F)F ZINC000442912213 248299556 /nfs/dbraw/zinc/29/95/56/248299556.db2.gz LVAQVZUQEMMLGT-QMMMGPOBSA-N -1 3 358.363 0.813 10 0 FCAEHM Cn1cc(C(N)=O)cc1C(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000445830603 248378625 /nfs/dbraw/zinc/37/86/25/248378625.db2.gz XFRVAQURJUHRLI-QGZVFWFLSA-N -1 3 355.354 0.431 10 0 FCAEHM CN(C)c1nc(C(=O)N(C)C2CCN(c3cnccn3)CC2)cc(=O)[n-]1 ZINC000447667315 248423814 /nfs/dbraw/zinc/42/38/14/248423814.db2.gz JWEWVEAJTMLUHB-UHFFFAOYSA-N -1 3 357.418 0.779 10 0 FCAEHM O=C(CCCNC(=O)c1ccsc1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000447747701 248426098 /nfs/dbraw/zinc/42/60/98/248426098.db2.gz VAEHEDQYAJVOBD-INIZCTEOSA-N -1 3 364.427 0.459 10 0 FCAEHM CS(=O)(=O)[N-]c1cc(C(=O)NC[C@H]2CCCCN2CCO)ccc1F ZINC000452387312 249315210 /nfs/dbraw/zinc/31/52/10/249315210.db2.gz GVKXPGRMVOGCCC-CYBMUJFWSA-N -1 3 373.450 0.774 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000452536353 249319795 /nfs/dbraw/zinc/31/97/95/249319795.db2.gz TUOCQIQGPJODRK-NSHDSACASA-N -1 3 359.304 0.797 10 0 FCAEHM C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000271390414 211392951 /nfs/dbraw/zinc/39/29/51/211392951.db2.gz LDZFMABUFOWANI-DCAQKATOSA-N -1 3 354.407 0.441 10 0 FCAEHM COc1nnc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)[n-]1 ZINC000271268902 211367940 /nfs/dbraw/zinc/36/79/40/211367940.db2.gz LKTLXJPZLMJZJB-UHFFFAOYSA-N -1 3 359.795 0.969 10 0 FCAEHM COc1nc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)n[n-]1 ZINC000271268902 211367944 /nfs/dbraw/zinc/36/79/44/211367944.db2.gz LKTLXJPZLMJZJB-UHFFFAOYSA-N -1 3 359.795 0.969 10 0 FCAEHM COc1n[n-]c(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)n1 ZINC000271268902 211367948 /nfs/dbraw/zinc/36/79/48/211367948.db2.gz LKTLXJPZLMJZJB-UHFFFAOYSA-N -1 3 359.795 0.969 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](C)[C@H](C)CO)cc1F ZINC000271213449 211356606 /nfs/dbraw/zinc/35/66/06/211356606.db2.gz MKSCTDJAHPDARN-NXEZZACHSA-N -1 3 368.452 0.883 10 0 FCAEHM CN1C(=O)C[C@@H](NC(=O)CN2CC(=O)[N-]C2=O)[C@H]1c1ccc(Cl)cc1 ZINC000271091437 211333243 /nfs/dbraw/zinc/33/32/43/211333243.db2.gz HWDISNNLFRHECO-IAQYHMDHSA-N -1 3 364.789 0.280 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCCCNc1ccc(C(F)(F)F)cn1 ZINC000271058956 211325490 /nfs/dbraw/zinc/32/54/90/211325490.db2.gz UUKKDJJASBISOE-VIFPVBQESA-N -1 3 359.308 0.617 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H]1CCCCC[C@H]1C(N)=O ZINC000467757087 249861760 /nfs/dbraw/zinc/86/17/60/249861760.db2.gz WVUBMYHRENFNTK-QJPTWQEYSA-N -1 3 373.500 0.965 10 0 FCAEHM COC(=O)CSCc1cccc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)c1 ZINC000270772851 211265794 /nfs/dbraw/zinc/26/57/94/211265794.db2.gz MHDBJPDQWUYZSR-NSHDSACASA-N -1 3 351.384 0.629 10 0 FCAEHM Cc1ccccc1-c1cc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)n(CCO)n1 ZINC000270723596 211255881 /nfs/dbraw/zinc/25/58/81/211255881.db2.gz RQDHVAUWPWOZRY-ZDUSSCGKSA-N -1 3 357.370 0.387 10 0 FCAEHM O=C(CCCc1ccccc1)N1CCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)CC1 ZINC000270697244 211249257 /nfs/dbraw/zinc/24/92/57/211249257.db2.gz LIRSZMWXQNWMBB-HNNXBMFYSA-N -1 3 372.425 0.278 10 0 FCAEHM C[C@@H]1CN(Cc2csc(NC(=O)C[C@@H]3NC(=O)[N-]C3=O)n2)C[C@@H](C)O1 ZINC000270580163 211227183 /nfs/dbraw/zinc/22/71/83/211227183.db2.gz FQEBIBYYNSRDJV-KKZNHRDASA-N -1 3 367.431 0.289 10 0 FCAEHM C[C@@H]1CCCN(Cc2csc(NC(=O)C[C@@H]3NC(=O)[N-]C3=O)n2)C1 ZINC000270572605 211225982 /nfs/dbraw/zinc/22/59/82/211225982.db2.gz BSPRZZIGQUHOLH-KOLCDFICSA-N -1 3 351.432 0.912 10 0 FCAEHM CC[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)OC)c1)C(=O)OC ZINC000270478776 211209750 /nfs/dbraw/zinc/20/97/50/211209750.db2.gz HVVGTRZSSKADEY-SNVBAGLBSA-N -1 3 351.327 0.981 10 0 FCAEHM CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)ccc1C(=O)OC)C(=O)OC ZINC000270500261 211213359 /nfs/dbraw/zinc/21/33/59/211213359.db2.gz MIUNRTSFPLFQFT-NSHDSACASA-N -1 3 373.383 0.490 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC[C@@H](C)O)c(OC)c1 ZINC000270503684 211213348 /nfs/dbraw/zinc/21/33/48/211213348.db2.gz NAAXZFFQOYAUJM-SNVBAGLBSA-N -1 3 366.461 0.506 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)CS(C)(=O)=O)c(Cl)c1 ZINC000270259665 211176626 /nfs/dbraw/zinc/17/66/26/211176626.db2.gz VVBHGMXRQNDXFX-MRVPVSSYSA-N -1 3 369.848 0.838 10 0 FCAEHM COC(=O)[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccn(C)n1 ZINC000470758789 250061000 /nfs/dbraw/zinc/06/10/00/250061000.db2.gz ZNWCEQHLQWZEFF-ZDUSSCGKSA-N -1 3 366.399 0.436 10 0 FCAEHM COC(=O)Cn1cc(S(=O)(=O)[N-]c2cc(Cl)c(=O)n(C)c2)cn1 ZINC000471201522 250093728 /nfs/dbraw/zinc/09/37/28/250093728.db2.gz AQPGILNGZVODNI-UHFFFAOYSA-N -1 3 360.779 0.209 10 0 FCAEHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCN(CCC(=O)N(C)C)CC2)c1 ZINC000270062684 211148311 /nfs/dbraw/zinc/14/83/11/211148311.db2.gz QPWCHXRKLJCIPA-UHFFFAOYSA-N -1 3 362.430 0.587 10 0 FCAEHM CO[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)C1 ZINC000472196119 250138081 /nfs/dbraw/zinc/13/80/81/250138081.db2.gz FOFPRMGFIYAZRI-NEPJUHHUSA-N -1 3 362.473 0.783 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@H]1CCCN1S(C)(=O)=O ZINC000269889617 211110836 /nfs/dbraw/zinc/11/08/36/211110836.db2.gz VPHBTOIIMVBNLI-SECBINFHSA-N -1 3 370.884 0.084 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)cn1 ZINC000472641351 250169994 /nfs/dbraw/zinc/16/99/94/250169994.db2.gz JPFLWYOFSNVDSB-ZDUSSCGKSA-N -1 3 374.422 0.846 10 0 FCAEHM COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)NCc1ncccc1[O-] ZINC000473059685 250197662 /nfs/dbraw/zinc/19/76/62/250197662.db2.gz NAXSBZZHAMFQBA-UHFFFAOYSA-N -1 3 372.381 0.753 10 0 FCAEHM C[C@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1N)C1CCN(CC(F)(F)F)CC1 ZINC000473170102 250204933 /nfs/dbraw/zinc/20/49/33/250204933.db2.gz DSSMTHLDBNVVFT-ZETCQYMHSA-N -1 3 363.340 0.863 10 0 FCAEHM O=C(NCc1ncccc1[O-])C1(C(=O)NCc2ncccc2O)CCC1 ZINC000473626993 250241953 /nfs/dbraw/zinc/24/19/53/250241953.db2.gz DGBOWQQYQBNKBJ-UHFFFAOYSA-N -1 3 356.382 0.991 10 0 FCAEHM CNS(=O)(=O)c1cc(C(=O)NCc2ncccc2[O-])ccc1OC ZINC000473643436 250243907 /nfs/dbraw/zinc/24/39/07/250243907.db2.gz ODRLKLXZPYQBPD-UHFFFAOYSA-N -1 3 351.384 0.634 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CC[C@H](C(F)(F)F)[C@@H]2C)cn1C ZINC000473386278 250225604 /nfs/dbraw/zinc/22/56/04/250225604.db2.gz HDRPFYHMJNAJRY-WPRPVWTQSA-N -1 3 368.381 0.806 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-][C@H](C)c2ccc(S(=O)(=O)NC)cc2)c1 ZINC000474078413 250268579 /nfs/dbraw/zinc/26/85/79/250268579.db2.gz APRINMGYMPSCKJ-LLVKDONJSA-N -1 3 372.472 0.851 10 0 FCAEHM COCCn1nc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)ccc1=O ZINC000473888412 250254240 /nfs/dbraw/zinc/25/42/40/250254240.db2.gz ZHKCBXXWYUTWFK-UHFFFAOYSA-N -1 3 355.358 0.246 10 0 FCAEHM COCCn1nc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)ccc1=O ZINC000473888412 250254243 /nfs/dbraw/zinc/25/42/43/250254243.db2.gz ZHKCBXXWYUTWFK-UHFFFAOYSA-N -1 3 355.358 0.246 10 0 FCAEHM NC(=O)COc1cccc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c1 ZINC000473933028 250256350 /nfs/dbraw/zinc/25/63/50/250256350.db2.gz QIKGFBMHYUSKSJ-UHFFFAOYSA-N -1 3 352.354 0.907 10 0 FCAEHM NC(=O)COc1cccc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c1 ZINC000473933028 250256355 /nfs/dbraw/zinc/25/63/55/250256355.db2.gz QIKGFBMHYUSKSJ-UHFFFAOYSA-N -1 3 352.354 0.907 10 0 FCAEHM NC(=O)COc1ccccc1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000473928207 250257360 /nfs/dbraw/zinc/25/73/60/250257360.db2.gz MSFOMMUKMKDANC-UHFFFAOYSA-N -1 3 352.354 0.907 10 0 FCAEHM NC(=O)COc1ccccc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000473928207 250257363 /nfs/dbraw/zinc/25/73/63/250257363.db2.gz MSFOMMUKMKDANC-UHFFFAOYSA-N -1 3 352.354 0.907 10 0 FCAEHM C[C@@H](CC[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)[S@](C)=O ZINC000481076361 250313148 /nfs/dbraw/zinc/31/31/48/250313148.db2.gz SPMMVVUUVGWEFX-LXGOIASLSA-N -1 3 371.477 0.665 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000088637466 208120400 /nfs/dbraw/zinc/12/04/00/208120400.db2.gz YVKWMPWIGJMQEM-VHSXEESVSA-N -1 3 368.381 0.936 10 0 FCAEHM Cc1cc([N-]C(=O)[C@@H](C)N2CCN(c3ccc4nncn4n3)CC2)on1 ZINC000106092332 208206338 /nfs/dbraw/zinc/20/63/38/208206338.db2.gz UQBJPMMETNAUFL-GFCCVEGCSA-N -1 3 356.390 0.570 10 0 FCAEHM O=C(N[C@H]1CCc2ncnn2C1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000112725472 208300152 /nfs/dbraw/zinc/30/01/52/208300152.db2.gz OOXYDBWQLBGHPK-JSGCOSHPSA-N -1 3 355.398 0.720 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC[C@H](O)c1cnn(C)c1 ZINC000266551454 210355676 /nfs/dbraw/zinc/35/56/76/210355676.db2.gz LMNOYGXFUXCNNW-GWCFXTLKSA-N -1 3 370.406 0.076 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000132389480 208668293 /nfs/dbraw/zinc/66/82/93/208668293.db2.gz YYWSOFZMBFZJRK-QWRGUYRKSA-N -1 3 372.219 0.469 10 0 FCAEHM Cc1nn2c(nnc2SCC(=O)Nc2ccc3c(c2)OCO3)[n-]c1=O ZINC000022719913 220395538 /nfs/dbraw/zinc/39/55/38/220395538.db2.gz KUSYOPQCXUQQHF-UHFFFAOYSA-N -1 3 360.355 0.993 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)ccc1F ZINC000177517241 209028588 /nfs/dbraw/zinc/02/85/88/209028588.db2.gz JXPLZCOPZLDYKO-LBPRGKRZSA-N -1 3 370.324 0.873 10 0 FCAEHM O=C(NC[C@H]1CN2CCN1CC2)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000179025231 209069452 /nfs/dbraw/zinc/06/94/52/209069452.db2.gz WVYOZNQTYAQQDZ-GOEBONIOSA-N -1 3 358.442 0.113 10 0 FCAEHM COc1ccsc1S(=O)(=O)[N-][C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000409793010 230046614 /nfs/dbraw/zinc/04/66/14/230046614.db2.gz MTNQDOLAXHTKSE-UWVGGRQHSA-N -1 3 368.502 0.753 10 0 FCAEHM COCc1cc(N2CCN(CC(=O)[O-])CC2)nc(-n2nc(C)cc2C)n1 ZINC000045947502 263405345 /nfs/dbraw/zinc/40/53/45/263405345.db2.gz JOYABUPGABPUEA-UHFFFAOYSA-N -1 3 360.418 0.632 10 0 FCAEHM Cn1c([N-]C(=O)c2cc3c(s2)n(C)c(=O)n(C)c3=O)nnc1C1CC1 ZINC000617293133 484480546 /nfs/dbraw/zinc/48/05/46/484480546.db2.gz HYGQAZUOTLRUDT-UHFFFAOYSA-N -1 3 360.399 0.557 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CF)C(=O)OC)cc1Cl ZINC000287530794 488878619 /nfs/dbraw/zinc/87/86/19/488878619.db2.gz UKJCOQPDXVEVSA-JTQLQIEISA-N -1 3 353.755 0.916 10 0 FCAEHM C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-][C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000278625107 488885906 /nfs/dbraw/zinc/88/59/06/488885906.db2.gz GGRBYBVLNNLABR-SMDDNHRTSA-N -1 3 371.434 0.323 10 0 FCAEHM CCCN(C)S(=O)(=O)[N-]c1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000363793706 488885971 /nfs/dbraw/zinc/88/59/71/488885971.db2.gz RYUCQNIIDYSXGT-CHWSQXEVSA-N -1 3 373.479 0.517 10 0 FCAEHM O=C1N[C@@H](CF)C(=O)N1CC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000287657691 488891865 /nfs/dbraw/zinc/89/18/65/488891865.db2.gz KKLISQRNYGMIPE-LURJTMIESA-N -1 3 355.800 0.570 10 0 FCAEHM CCC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H]1C[C@@]1(C)NC(=O)[N-]C1=O ZINC000287692717 488895276 /nfs/dbraw/zinc/89/52/76/488895276.db2.gz CYHLUESPTDYROG-LYOVBCGYSA-N -1 3 368.459 0.277 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-][C@@H](C)c2cccc(S(N)(=O)=O)c2)c1 ZINC000320830839 488900381 /nfs/dbraw/zinc/90/03/81/488900381.db2.gz ULYHEQIXTCNKBG-JTQLQIEISA-N -1 3 358.445 0.590 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]Cc2ccc(OC)c(S(N)(=O)=O)c2)c1 ZINC000325689283 488911533 /nfs/dbraw/zinc/91/15/33/488911533.db2.gz NDPPZNIUYAOPJZ-UHFFFAOYSA-N -1 3 374.444 0.038 10 0 FCAEHM COc1ccc2[nH]cc(CC(=O)N3CCC[C@@]4(C3)NC(=O)[N-]C4=O)c2c1 ZINC000279042129 488912896 /nfs/dbraw/zinc/91/28/96/488912896.db2.gz ACMUCMOPCOFISL-SFHVURJKSA-N -1 3 356.382 0.920 10 0 FCAEHM CCn1nc2c(cc1=O)CN(CC(=O)[N-]C(=O)c1ccc(OC)cc1)CC2 ZINC000364020390 488914158 /nfs/dbraw/zinc/91/41/58/488914158.db2.gz PPKMEUFEHWCQFY-UHFFFAOYSA-N -1 3 370.409 0.587 10 0 FCAEHM Cc1ccc(NC(=O)NC(=O)CN2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c(C)c1 ZINC000279106892 488917451 /nfs/dbraw/zinc/91/74/51/488917451.db2.gz RTEYFYIOFWIWBD-SFHVURJKSA-N -1 3 373.413 0.626 10 0 FCAEHM O=C(Nc1ccccc1)c1ccc(N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)nn1 ZINC000279130619 488919357 /nfs/dbraw/zinc/91/93/57/488919357.db2.gz QXPLORKXZIBVSE-SFHVURJKSA-N -1 3 366.381 0.907 10 0 FCAEHM COc1ccc(OC)c(S(=O)(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000327372895 488919749 /nfs/dbraw/zinc/91/97/49/488919749.db2.gz MEDAAKIVNLKTHM-OAHLLOKOSA-N -1 3 369.399 0.067 10 0 FCAEHM Cc1nc(C)n(C[C@@H]2CN(C(=O)c3cc(F)cc4[n-]nnc43)CCO2)n1 ZINC000328659296 488927368 /nfs/dbraw/zinc/92/73/68/488927368.db2.gz SMHRAWUSJRFDPP-LBPRGKRZSA-N -1 3 359.365 0.847 10 0 FCAEHM Cc1nc(C)n(C[C@@H]2CN(C(=O)c3cc(F)cc4nn[n-]c43)CCO2)n1 ZINC000328659296 488927371 /nfs/dbraw/zinc/92/73/71/488927371.db2.gz SMHRAWUSJRFDPP-LBPRGKRZSA-N -1 3 359.365 0.847 10 0 FCAEHM Cc1nc(C)n(C[C@@H]2CN(C(=O)c3cc(F)cc4n[n-]nc43)CCO2)n1 ZINC000328659296 488927372 /nfs/dbraw/zinc/92/73/72/488927372.db2.gz SMHRAWUSJRFDPP-LBPRGKRZSA-N -1 3 359.365 0.847 10 0 FCAEHM COc1ccc(C=CC(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c(OC)c1 ZINC000279350934 488934797 /nfs/dbraw/zinc/93/47/97/488934797.db2.gz CLDPVMGUFNSVCQ-SUQGKYDKSA-N -1 3 359.382 0.918 10 0 FCAEHM Cn1ncc(C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1-c1ccccc1 ZINC000279380232 488937296 /nfs/dbraw/zinc/93/72/96/488937296.db2.gz FMGGYIKTRAOENO-SFHVURJKSA-N -1 3 353.382 0.901 10 0 FCAEHM COc1ccc(-c2cc(C(=O)N3CCC[C@@]4(C3)NC(=O)[N-]C4=O)[nH]n2)cc1 ZINC000279381935 488937404 /nfs/dbraw/zinc/93/74/04/488937404.db2.gz FOVOVPYSTOHMBR-SFHVURJKSA-N -1 3 369.381 0.900 10 0 FCAEHM COC(=O)[C@H](C)Oc1ccc(CN2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000279383009 488937482 /nfs/dbraw/zinc/93/74/82/488937482.db2.gz JHXAVMOKCINUIE-KPZWWZAWSA-N -1 3 361.398 0.801 10 0 FCAEHM CC(=O)Nc1ccc(C=CC(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000279468995 488944905 /nfs/dbraw/zinc/94/49/05/488944905.db2.gz LQMGDRZMDPDHFN-KRZKXXONSA-N -1 3 356.382 0.859 10 0 FCAEHM CCOC(=O)N1CCC[C@H](C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)C1 ZINC000279581040 488953832 /nfs/dbraw/zinc/95/38/32/488953832.db2.gz UIYHGVBGQZAAHZ-ZBEGNZNMSA-N -1 3 352.391 0.056 10 0 FCAEHM COc1ccc(CNC(=O)CC[C@H]2NC(=O)[N-]C2=O)cc1OC(F)F ZINC000042058320 487855854 /nfs/dbraw/zinc/85/58/54/487855854.db2.gz JSXLPQIKABUPHF-SECBINFHSA-N -1 3 357.313 0.901 10 0 FCAEHM O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000044959324 487926968 /nfs/dbraw/zinc/92/69/68/487926968.db2.gz GCAOJDPNTFYACQ-DGCLKSJQSA-N -1 3 352.412 0.300 10 0 FCAEHM COc1cc[n-]c(=NNC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)n1 ZINC000046364672 487979040 /nfs/dbraw/zinc/97/90/40/487979040.db2.gz IJSPEUOVTOCKPV-UHFFFAOYSA-N -1 3 362.390 0.525 10 0 FCAEHM CCCC(=O)NCC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000047431511 488027923 /nfs/dbraw/zinc/02/79/23/488027923.db2.gz MNUGMWQQMOSREO-UHFFFAOYSA-N -1 3 373.500 0.934 10 0 FCAEHM NC(=O)CNC(=O)c1ccc([N-]S(=O)(=O)CCc2ccccc2)cc1 ZINC000050208244 488109731 /nfs/dbraw/zinc/10/97/31/488109731.db2.gz LFCAATJZOBEZIA-UHFFFAOYSA-N -1 3 361.423 0.886 10 0 FCAEHM NC(=O)Cn1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cn1 ZINC000053414171 488200829 /nfs/dbraw/zinc/20/08/29/488200829.db2.gz GWZPAQZSVHAVAM-ZDUSSCGKSA-N -1 3 357.370 0.317 10 0 FCAEHM CC[C@@]1(c2ccc(NC(=O)C[C@@H]3NC(=O)[N-]C3=O)cc2)CCC(=O)NC1=O ZINC000056165589 488253877 /nfs/dbraw/zinc/25/38/77/488253877.db2.gz CKEZMYOZAIHHTH-SGTLLEGYSA-N -1 3 372.381 0.308 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000067865707 488357215 /nfs/dbraw/zinc/35/72/15/488357215.db2.gz ZLJDLHOLOLFPIO-NWDGAFQWSA-N -1 3 355.435 0.845 10 0 FCAEHM C[C@H](Cn1cncn1)NC(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000068087101 488360348 /nfs/dbraw/zinc/36/03/48/488360348.db2.gz GEKKAXOIJMAASV-SNVBAGLBSA-N -1 3 373.385 0.430 10 0 FCAEHM C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000068100357 488360728 /nfs/dbraw/zinc/36/07/28/488360728.db2.gz RTGCSLQMOYSLGM-NEPJUHHUSA-N -1 3 371.434 0.607 10 0 FCAEHM CC[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000068277540 488363127 /nfs/dbraw/zinc/36/31/27/488363127.db2.gz OPKUFTCGVADOFU-WOPDTQHZSA-N -1 3 373.450 0.912 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)NCCCCC(=O)OC)s1 ZINC000069244781 488371556 /nfs/dbraw/zinc/37/15/56/488371556.db2.gz RVFVAIGOMHFWLS-UHFFFAOYSA-N -1 3 363.461 0.799 10 0 FCAEHM COCc1ncc(CN2CC3(C[C@@H]2C(=O)[O-])CCN(C(C)=O)CC3)cn1 ZINC000072434958 488381038 /nfs/dbraw/zinc/38/10/38/488381038.db2.gz UIXVEQGWKIQGRJ-OAHLLOKOSA-N -1 3 362.430 0.911 10 0 FCAEHM COC(=O)[C@H](C)CS(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)N(C)C ZINC000268376622 488412985 /nfs/dbraw/zinc/41/29/85/488412985.db2.gz ZOJXITPGOPYSTO-TZMCWYRMSA-N -1 3 356.444 0.414 10 0 FCAEHM Cc1cc(-c2noc([C@H](C)NC(=O)CN3CC(=O)[N-]C3=O)n2)ccc1F ZINC000268412160 488416324 /nfs/dbraw/zinc/41/63/24/488416324.db2.gz CTHXXJIDPLOWEF-VIFPVBQESA-N -1 3 361.333 0.913 10 0 FCAEHM CCN1CN(C(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)CC1=O ZINC000190525146 488417491 /nfs/dbraw/zinc/41/74/91/488417491.db2.gz CJULCWULMQSLDJ-UHFFFAOYSA-N -1 3 355.398 0.721 10 0 FCAEHM CCNC(=O)N1CC[C@@H](NC(=O)CC[N-]S(=O)(=O)c2cccs2)C1 ZINC000268514622 488426546 /nfs/dbraw/zinc/42/65/46/488426546.db2.gz YKAHQGBSRZCFPB-LLVKDONJSA-N -1 3 374.488 0.337 10 0 FCAEHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CCCCN2S(C)(=O)=O)c1 ZINC000562868624 491197630 /nfs/dbraw/zinc/19/76/30/491197630.db2.gz KVLHGYUMFXKNFW-ZDUSSCGKSA-N -1 3 369.443 0.895 10 0 FCAEHM O=C(CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC000246239968 488471330 /nfs/dbraw/zinc/47/13/30/488471330.db2.gz RMXNQAUBQSJANS-MSRIBSCDSA-N -1 3 356.382 0.707 10 0 FCAEHM O=C(CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)Nc1cccc2c(=O)[n-][nH]c(=O)c12 ZINC000246239968 488471331 /nfs/dbraw/zinc/47/13/31/488471331.db2.gz RMXNQAUBQSJANS-MSRIBSCDSA-N -1 3 356.382 0.707 10 0 FCAEHM COCCN1CCCN(C(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)CC1 ZINC000269229943 488480561 /nfs/dbraw/zinc/48/05/61/488480561.db2.gz FSJPWEXUWOKJOK-LJQANCHMSA-N -1 3 374.441 0.536 10 0 FCAEHM CN1CC[C@H](NC(=O)C[C@@H]2NC(=O)[N-]C2=O)[C@H]1c1ccc(F)c(F)c1 ZINC000247690467 488488822 /nfs/dbraw/zinc/48/88/22/488488822.db2.gz QUQRIDMCGVUPJD-SGMGOOAPSA-N -1 3 352.341 0.424 10 0 FCAEHM COCCCS(=O)(=O)[N-]CC(=O)Nc1cccc(N(C)C(C)=O)c1 ZINC000269319761 488491405 /nfs/dbraw/zinc/49/14/05/488491405.db2.gz LTUXVVFJXBLKOK-UHFFFAOYSA-N -1 3 357.432 0.564 10 0 FCAEHM C[C@@H](Cc1noc(CN2CC(=O)[N-]C2=O)n1)N(C)C(=O)OC(C)(C)C ZINC000269322814 488491992 /nfs/dbraw/zinc/49/19/92/488491992.db2.gz FSVHCQOVCGTWCA-VIFPVBQESA-N -1 3 353.379 0.919 10 0 FCAEHM C=CC(=O)NCCC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000269475530 488506960 /nfs/dbraw/zinc/50/69/60/488506960.db2.gz AGYWRZPZVZELTB-UHFFFAOYSA-N -1 3 355.391 0.897 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N(CC(F)F)C3CC3)cnc21 ZINC000106896418 488516411 /nfs/dbraw/zinc/51/64/11/488516411.db2.gz PMBSNMRPWWNQSM-UHFFFAOYSA-N -1 3 360.342 0.040 10 0 FCAEHM CCc1nc(CNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)cs1 ZINC000107615572 488518104 /nfs/dbraw/zinc/51/81/04/488518104.db2.gz AXYXBLQWFHYAED-UHFFFAOYSA-N -1 3 373.232 0.634 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1CCN(CC2CC2)C1 ZINC000108403981 488519083 /nfs/dbraw/zinc/51/90/83/488519083.db2.gz ZXNZDVQGVJSRBR-CYBMUJFWSA-N -1 3 358.485 0.853 10 0 FCAEHM CCNC(=O)CNC(=O)c1c(C)oc2[n-]c(=O)n(-c3ccccc3)c(=O)c21 ZINC000109933599 488524678 /nfs/dbraw/zinc/52/46/78/488524678.db2.gz BGHUKOAYJXHYSV-UHFFFAOYSA-N -1 3 370.365 0.446 10 0 FCAEHM NC(=O)C[C@H]1CCCCN1C(=O)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000116580560 488548001 /nfs/dbraw/zinc/54/80/01/488548001.db2.gz HUYUAVBYYAWLLU-GFCCVEGCSA-N -1 3 370.409 0.927 10 0 FCAEHM Cc1noc(CCNC(=O)CC[N-]S(=O)(=O)c2ccccc2F)n1 ZINC000119702335 488558642 /nfs/dbraw/zinc/55/86/42/488558642.db2.gz QRRSNBAHBNIKKR-UHFFFAOYSA-N -1 3 356.379 0.544 10 0 FCAEHM COC[C@@](C)(CCO)NC(=O)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000272149478 488564683 /nfs/dbraw/zinc/56/46/83/488564683.db2.gz AGEOQAQVEXPGTR-GOSISDBHSA-N -1 3 361.398 0.574 10 0 FCAEHM COCCNC(=O)CSc1ccccc1C(=O)Nc1nnc(OC)[n-]1 ZINC000272401745 488578580 /nfs/dbraw/zinc/57/85/80/488578580.db2.gz DVFBOUDXWYUECD-UHFFFAOYSA-N -1 3 365.415 0.920 10 0 FCAEHM COCCNC(=O)CSc1ccccc1C(=O)Nc1n[n-]c(OC)n1 ZINC000272401745 488578581 /nfs/dbraw/zinc/57/85/81/488578581.db2.gz DVFBOUDXWYUECD-UHFFFAOYSA-N -1 3 365.415 0.920 10 0 FCAEHM COCCNC(=O)CSc1ccccc1C(=O)Nc1nc(OC)n[n-]1 ZINC000272401745 488578582 /nfs/dbraw/zinc/57/85/82/488578582.db2.gz DVFBOUDXWYUECD-UHFFFAOYSA-N -1 3 365.415 0.920 10 0 FCAEHM COc1nnc(NC(=O)[C@@H](C)CS(=O)(=O)c2ccc(OC)cc2)[n-]1 ZINC000272551008 488587827 /nfs/dbraw/zinc/58/78/27/488587827.db2.gz SSPJHWCFBDZYIE-VIFPVBQESA-N -1 3 354.388 0.870 10 0 FCAEHM COc1nc(NC(=O)[C@@H](C)CS(=O)(=O)c2ccc(OC)cc2)n[n-]1 ZINC000272551008 488587828 /nfs/dbraw/zinc/58/78/28/488587828.db2.gz SSPJHWCFBDZYIE-VIFPVBQESA-N -1 3 354.388 0.870 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@@H](C)CS(=O)(=O)c2ccc(OC)cc2)n1 ZINC000272551008 488587829 /nfs/dbraw/zinc/58/78/29/488587829.db2.gz SSPJHWCFBDZYIE-VIFPVBQESA-N -1 3 354.388 0.870 10 0 FCAEHM Cc1ccc(N2CC[C@H](N3CCO[C@@H](CN(C)CC(=O)[O-])C3)C2=O)cc1 ZINC000262873306 488597514 /nfs/dbraw/zinc/59/75/14/488597514.db2.gz MOMJNEPGSHZPJQ-IRXDYDNUSA-N -1 3 361.442 0.818 10 0 FCAEHM C[C@@]1(c2ccc(CNC(=O)[C@H]3CC(F)(F)CN3)cc2)NC(=O)[N-]C1=O ZINC000263223665 488606378 /nfs/dbraw/zinc/60/63/78/488606378.db2.gz MLJYZZCTQCBNDI-ABAIWWIYSA-N -1 3 352.341 0.355 10 0 FCAEHM COCc1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1c(C)nn(C)c1Cl)CC2 ZINC000129023106 488628551 /nfs/dbraw/zinc/62/85/51/488628551.db2.gz NYSASJYEMIYDTM-VIFPVBQESA-N -1 3 374.854 0.413 10 0 FCAEHM O=C1OCCN1CCC[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000263996114 488641744 /nfs/dbraw/zinc/64/17/44/488641744.db2.gz LSZDXCSTEXTGLM-UHFFFAOYSA-N -1 3 371.390 0.831 10 0 FCAEHM CN(Cc1nc2ccsc2c(=O)[n-]1)C[C@H](O)COC[C@@H]1CCCO1 ZINC000131550165 488647328 /nfs/dbraw/zinc/64/73/28/488647328.db2.gz OQVUQFXVASYZSE-RYUDHWBXSA-N -1 3 353.444 0.973 10 0 FCAEHM C[C@@H](CCNC(=O)CC[N-]S(=O)(=O)c1ccccc1F)[S@@](C)=O ZINC000134880991 488669259 /nfs/dbraw/zinc/66/92/59/488669259.db2.gz UEJJXEMGQMZSLQ-SAHAZLINSA-N -1 3 364.464 0.767 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2nnc3n2CCCC3)c(C)o1 ZINC000135283464 488672008 /nfs/dbraw/zinc/67/20/08/488672008.db2.gz FLPDEVPAOIPPDN-SECBINFHSA-N -1 3 367.431 0.915 10 0 FCAEHM CCO[C@@H]1C[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)[C@H]1OC ZINC000274095159 488683050 /nfs/dbraw/zinc/68/30/50/488683050.db2.gz SBCGBZHXPMGKSA-XTWPYSKKSA-N -1 3 374.434 0.801 10 0 FCAEHM O=C(c1ccc2c(c1)S(=O)(=O)[N-]c1ncnn1-2)N1CCN2CCC[C@@H]2C1 ZINC000264551387 488684834 /nfs/dbraw/zinc/68/48/34/488684834.db2.gz XZLMZSTWGODXFW-GFCCVEGCSA-N -1 3 374.426 0.302 10 0 FCAEHM COCCN(CCOC)S(=O)(=O)[N-][C@@H]1CCN(c2ccccc2)C1=O ZINC000264572080 488686673 /nfs/dbraw/zinc/68/66/73/488686673.db2.gz ZWIIZMUVVUWPJP-OAHLLOKOSA-N -1 3 371.459 0.221 10 0 FCAEHM CCn1nccc1S(=O)(=O)NCc1ccc(S(=O)(=O)[N-]C)s1 ZINC000274427583 488707065 /nfs/dbraw/zinc/70/70/65/488707065.db2.gz DFUDVDRLFCMXHU-UHFFFAOYSA-N -1 3 364.474 0.351 10 0 FCAEHM COc1cccc(CN(C[C@@H]2CCCO2)C(=O)CN2CC(=O)[N-]C2=O)c1 ZINC000264594923 488688613 /nfs/dbraw/zinc/68/86/13/488688613.db2.gz BRQRONQBHIMKRD-HNNXBMFYSA-N -1 3 361.398 0.755 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC(C(=O)N(C)C)CC1 ZINC000143083940 488690786 /nfs/dbraw/zinc/69/07/86/488690786.db2.gz WMSAJDMVSGMGHG-LLVKDONJSA-N -1 3 373.500 0.742 10 0 FCAEHM C[C@@H]1CN(Cc2ccc(CNC(=O)CN3CC(=O)[N-]C3=O)cc2)C[C@@H](C)O1 ZINC000264618490 488691088 /nfs/dbraw/zinc/69/10/88/488691088.db2.gz BBRDAVPWLONFAN-ZIAGYGMSSA-N -1 3 374.441 0.464 10 0 FCAEHM CCOc1c(Cl)cc(CNC(=O)CN2CC(=O)[N-]C2=O)cc1OC ZINC000264703745 488700901 /nfs/dbraw/zinc/70/09/01/488700901.db2.gz NQKYKYIQBVGUBV-UHFFFAOYSA-N -1 3 355.778 0.915 10 0 FCAEHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCO[C@]2(CCOC2)C1 ZINC000274374443 488702266 /nfs/dbraw/zinc/70/22/66/488702266.db2.gz BZCGQBIRPPKFJE-MRXNPFEDSA-N -1 3 368.411 0.881 10 0 FCAEHM Cc1cnn([C@@H]2CCCN(C(=O)C[N-]S(=O)(=O)c3cn(C)cn3)C2)c1 ZINC000151276864 488703360 /nfs/dbraw/zinc/70/33/60/488703360.db2.gz AXZWESQPLTYWQT-CYBMUJFWSA-N -1 3 366.447 0.067 10 0 FCAEHM CC[C@H]1CCCCCN1S(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000151551439 488706632 /nfs/dbraw/zinc/70/66/32/488706632.db2.gz YPJKSEFVSPMXSI-NSHDSACASA-N -1 3 366.443 0.965 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2c(C)cc(C)[nH]c2=O)cn1 ZINC000274426352 488707102 /nfs/dbraw/zinc/70/71/02/488707102.db2.gz DAOKMESITMGQTI-UHFFFAOYSA-N -1 3 350.400 0.637 10 0 FCAEHM Cc1ccccc1-c1cc(NC(=O)CN2CC(=O)[N-]C2=O)n(CCO)n1 ZINC000264812148 488714932 /nfs/dbraw/zinc/71/49/32/488714932.db2.gz GFZLPVPEVAWOAM-UHFFFAOYSA-N -1 3 357.370 0.341 10 0 FCAEHM CN1CC[C@@H](NC(=O)CN2CC(=O)[N-]C2=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152410319 488717967 /nfs/dbraw/zinc/71/79/67/488717967.db2.gz AVBJQKOKXLLQCI-DOMZBBRYSA-N -1 3 368.796 0.892 10 0 FCAEHM CCN1CCN(c2cccc(NC(=O)c3cnc([O-])n(C)c3=O)c2)CC1 ZINC000274562348 488719891 /nfs/dbraw/zinc/71/98/91/488719891.db2.gz DFVUDVDEWXZQAQ-UHFFFAOYSA-N -1 3 357.414 0.880 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N1CCO[C@@]2(CCOC2)C1 ZINC000274693470 488728035 /nfs/dbraw/zinc/72/80/35/488728035.db2.gz VOODJMQWDHOZCS-SFHVURJKSA-N -1 3 359.382 0.098 10 0 FCAEHM CCOC(=O)[C@@H](NC(=O)CN1CC(=O)[N-]C1=O)c1ccc(OC)c(F)c1 ZINC000274761584 488732299 /nfs/dbraw/zinc/73/22/99/488732299.db2.gz QXJAYAYHRBXZJJ-AWEZNQCLSA-N -1 3 367.333 0.107 10 0 FCAEHM C[C@@H](CC[S@](C)=O)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000267091629 488760106 /nfs/dbraw/zinc/76/01/06/488760106.db2.gz MIAGUYJFCYBFKY-GANBNBROSA-N -1 3 364.464 0.766 10 0 FCAEHM C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000275153929 488766600 /nfs/dbraw/zinc/76/66/00/488766600.db2.gz UEBVPHXIIFLDAB-GARJFASQSA-N -1 3 354.407 0.346 10 0 FCAEHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000267481344 488790224 /nfs/dbraw/zinc/79/02/24/488790224.db2.gz UFVBBLPOUMTDHI-LBPRGKRZSA-N -1 3 366.317 0.999 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@]2(C(=O)OC)CCOC2)cc1F ZINC000277958477 488794620 /nfs/dbraw/zinc/79/46/20/488794620.db2.gz TZXVQPQLTQAVHB-AWEZNQCLSA-N -1 3 361.347 0.223 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](O)c2ccccc2OC)c(C)o1 ZINC000267646320 488809166 /nfs/dbraw/zinc/80/91/66/488809166.db2.gz ZVZOIIUSFCAHGE-CYBMUJFWSA-N -1 3 368.411 0.968 10 0 FCAEHM CC[C@@H]([N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl)C(=O)OC ZINC000267890476 488827409 /nfs/dbraw/zinc/82/74/09/488827409.db2.gz IONCNJDZDHJPIR-SNVBAGLBSA-N -1 3 369.848 0.973 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N[C@H](C)c1cnn(C)c1C ZINC000171964806 488829137 /nfs/dbraw/zinc/82/91/37/488829137.db2.gz ZNQNKUCTXPDHTN-SCZZXKLOSA-N -1 3 369.447 0.878 10 0 FCAEHM C[C@H](CO[C@@H]1CCOC1)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000267947659 488830440 /nfs/dbraw/zinc/83/04/40/488830440.db2.gz JOJDQQUZYSMUBB-FRRDWIJNSA-N -1 3 374.434 0.803 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000172213491 488831378 /nfs/dbraw/zinc/83/13/78/488831378.db2.gz XRLPEIGAKJLHNC-JQWIXIFHSA-N -1 3 366.418 0.889 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)Nc1ccc(N2CCCC2)nc1 ZINC000268107624 488840157 /nfs/dbraw/zinc/84/01/57/488840157.db2.gz HFEQPMCOKZTMBY-UHFFFAOYSA-N -1 3 356.448 0.576 10 0 FCAEHM Cc1cc(N2CC[C@@H]([N-]S(=O)(=O)N3CCC[C@H](C)C3)C2=O)n(C)n1 ZINC000173801874 488845446 /nfs/dbraw/zinc/84/54/46/488845446.db2.gz RAEWIXYOURHOJQ-WCQYABFASA-N -1 3 355.464 0.400 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C(C)(C)CCS(C)(=O)=O ZINC000173869675 488845972 /nfs/dbraw/zinc/84/59/72/488845972.db2.gz QCCZRTLJVFJSBT-UHFFFAOYSA-N -1 3 357.885 0.874 10 0 FCAEHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)NCc1cc(F)cc(Br)c1 ZINC000174175268 488847750 /nfs/dbraw/zinc/84/77/50/488847750.db2.gz LRLVLILQWPVESV-UHFFFAOYSA-N -1 3 357.139 0.477 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2Cn2ccnc2)c(C)o1 ZINC000176257800 488858078 /nfs/dbraw/zinc/85/80/78/488858078.db2.gz JGOVQFRNYATYEW-LBPRGKRZSA-N -1 3 352.416 0.997 10 0 FCAEHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CC(=O)N(C)[C@H](C)C1 ZINC000288444248 488981896 /nfs/dbraw/zinc/98/18/96/488981896.db2.gz PELCPZIJYSBQSX-SECBINFHSA-N -1 3 353.400 0.471 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@@H](CO)c1ccccc1OC(F)(F)F ZINC000280221174 488990694 /nfs/dbraw/zinc/99/06/94/488990694.db2.gz NSWTVWDMZQZQGJ-VIFPVBQESA-N -1 3 361.276 0.287 10 0 FCAEHM COCCn1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])n1 ZINC000365008550 489029348 /nfs/dbraw/zinc/02/93/48/489029348.db2.gz CAYWRUMKWHROPN-AWEZNQCLSA-N -1 3 358.398 1.478 10 0 FCAEHM CCOc1ccncc1S(=O)(=O)[N-]CCC(=O)NCc1ccccn1 ZINC000289214819 489050111 /nfs/dbraw/zinc/05/01/11/489050111.db2.gz SYIBSEVBVMBDAE-UHFFFAOYSA-N -1 3 364.427 0.860 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]CCC(=O)N1CCOCC1 ZINC000289288230 489056245 /nfs/dbraw/zinc/05/62/45/489056245.db2.gz GNMDCXARKWUZAZ-UHFFFAOYSA-N -1 3 374.415 0.210 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]Cc1nnc2n1CCC2 ZINC000289326110 489059030 /nfs/dbraw/zinc/05/90/30/489059030.db2.gz LLTMSWZAJGRGEV-UHFFFAOYSA-N -1 3 354.388 0.699 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNS(=O)(=O)CC(C)(C)OC)s1 ZINC000289563232 489077560 /nfs/dbraw/zinc/07/75/60/489077560.db2.gz SVTAJLGKWKZNMQ-UHFFFAOYSA-N -1 3 356.491 0.501 10 0 FCAEHM C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000289508860 489072694 /nfs/dbraw/zinc/07/26/94/489072694.db2.gz UYBPSOVLTJKZQS-CMPLNLGQSA-N -1 3 358.402 0.404 10 0 FCAEHM CCOC(=O)CC[C@H](C)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000281485808 489079193 /nfs/dbraw/zinc/07/91/93/489079193.db2.gz NRVJDIIRHWTWNB-JTQLQIEISA-N -1 3 364.445 0.495 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@]1(C)CCS(=O)(=O)C1 ZINC000289594711 489079900 /nfs/dbraw/zinc/07/99/00/489079900.db2.gz WCVLCUIUBTWHRX-CYBMUJFWSA-N -1 3 365.429 0.539 10 0 FCAEHM CC(C)c1nnc(NC(=O)CN2CCC[C@@]3(C2)NC(=O)[N-]C3=O)s1 ZINC000365529506 489085183 /nfs/dbraw/zinc/08/51/83/489085183.db2.gz PZTSYRVWYQBPLU-AWEZNQCLSA-N -1 3 352.420 0.274 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)Cc1cc(C)on1 ZINC000281646967 489093928 /nfs/dbraw/zinc/09/39/28/489093928.db2.gz BDCRWDFDAVFFAL-UHFFFAOYSA-N -1 3 359.429 0.712 10 0 FCAEHM COCC[C@@H]([N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC)C(=O)OC ZINC000289840747 489096695 /nfs/dbraw/zinc/09/66/95/489096695.db2.gz KDNWTIDXDANXKV-SNVBAGLBSA-N -1 3 363.388 0.539 10 0 FCAEHM COCCN1CCCN(C(=O)C[N-]S(=O)(=O)c2ccccc2F)CC1 ZINC000290032644 489109730 /nfs/dbraw/zinc/10/97/30/489109730.db2.gz KWAYCVBTEKNRLV-UHFFFAOYSA-N -1 3 373.450 0.285 10 0 FCAEHM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-][C@H]1CCCN(c2ccccc2)C1=O ZINC000365795917 489114489 /nfs/dbraw/zinc/11/44/89/489114489.db2.gz OLWWERKYRCGRGS-OCCSQVGLSA-N -1 3 353.444 0.578 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)COCCNC(=O)c2ccccc2)nc1=N ZINC000563269662 491234325 /nfs/dbraw/zinc/23/43/25/491234325.db2.gz NSAYXOPXRUZIFQ-CQSZACIVSA-N -1 3 372.429 0.338 10 0 FCAEHM Cn1cc(N2CCN(C(=O)c3cc(=O)c4ccccc4[n-]3)CC2=O)cn1 ZINC000365902032 489123874 /nfs/dbraw/zinc/12/38/74/489123874.db2.gz RKFCOUKRZNHYAF-UHFFFAOYSA-N -1 3 351.366 0.751 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)Cn2cc(C(N)=O)c3ccccc32)nc1=N ZINC000563267230 491234409 /nfs/dbraw/zinc/23/44/09/491234409.db2.gz CIBCFKNLFARXGO-AWEZNQCLSA-N -1 3 367.413 0.645 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)Cn2nnnc2-c2ccsc2)nc1=N ZINC000563270403 491234655 /nfs/dbraw/zinc/23/46/55/491234655.db2.gz VMKAPUCQAJVRHR-SNVBAGLBSA-N -1 3 359.419 0.306 10 0 FCAEHM CCS(=O)(=O)C[C@H](C)[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000290348129 489133092 /nfs/dbraw/zinc/13/30/92/489133092.db2.gz CEMIDJMNIWZNCL-QMMMGPOBSA-N -1 3 367.445 0.785 10 0 FCAEHM Cc1cc(F)ccc1-n1cc(C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)nn1 ZINC000366083074 489142101 /nfs/dbraw/zinc/14/21/01/489142101.db2.gz JAVZZDHKRIOKBA-QGZVFWFLSA-N -1 3 372.360 0.529 10 0 FCAEHM C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000366080800 489142531 /nfs/dbraw/zinc/14/25/31/489142531.db2.gz AZGGTMLBGYZGTF-DIFFPNOSSA-N -1 3 368.434 0.690 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC(=O)N(C)C2)cc1F ZINC000330792780 489144064 /nfs/dbraw/zinc/14/40/64/489144064.db2.gz CNERMYORKOBGSP-UHFFFAOYSA-N -1 3 365.408 0.008 10 0 FCAEHM C[C@@H](C(=O)NC(=O)NC1CCCCC1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000366121862 489147938 /nfs/dbraw/zinc/14/79/38/489147938.db2.gz HHMKCDULTKFFDW-APPDUMDISA-N -1 3 365.434 0.207 10 0 FCAEHM COc1ccc(F)c([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C)c1 ZINC000290578628 489151012 /nfs/dbraw/zinc/15/10/12/489151012.db2.gz VLPNADBQZFUMOD-UHFFFAOYSA-N -1 3 354.425 0.858 10 0 FCAEHM CC(C)(C)OC(=O)NCC(C)(C)C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000366156482 489152312 /nfs/dbraw/zinc/15/23/12/489152312.db2.gz PSQLCXLIWNZSJU-KRWDZBQOSA-N -1 3 368.434 0.738 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@H](C)[C@H](OC)C1 ZINC000282413910 489161575 /nfs/dbraw/zinc/16/15/75/489161575.db2.gz FCZBWGRBGFINLN-NWDGAFQWSA-N -1 3 362.473 0.640 10 0 FCAEHM CN(CCCO)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000282433929 489163255 /nfs/dbraw/zinc/16/32/55/489163255.db2.gz NAEWHDZBZBRKPJ-UHFFFAOYSA-N -1 3 355.869 0.704 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000282452125 489165086 /nfs/dbraw/zinc/16/50/86/489165086.db2.gz SMPXDKBIRIEPHB-QWRGUYRKSA-N -1 3 357.407 0.182 10 0 FCAEHM Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000290790406 489165285 /nfs/dbraw/zinc/16/52/85/489165285.db2.gz DCPVIMSYNQULRO-CYBMUJFWSA-N -1 3 359.308 0.411 10 0 FCAEHM CCOC(=O)[C@@H]1CC[C@H](NC(=O)C[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000290827371 489168366 /nfs/dbraw/zinc/16/83/66/489168366.db2.gz HNKWRFVINNVRDI-NEPJUHHUSA-N -1 3 372.418 0.952 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1ccc(Cl)c(F)c1N1CCOCC1 ZINC000282566049 489175285 /nfs/dbraw/zinc/17/52/85/489175285.db2.gz YZVHNLNGHKLXLP-UHFFFAOYSA-N -1 3 370.768 0.806 10 0 FCAEHM CC[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2cccs2)C[C@@]2(CCOC2)O1 ZINC000366540156 489192761 /nfs/dbraw/zinc/19/27/61/489192761.db2.gz NTTKUHLOMUKIQA-IUODEOHRSA-N -1 3 374.484 0.823 10 0 FCAEHM CC[C@H]1CN(C(=O)c2cc(S(=O)(=O)[N-]C)oc2C)C[C@]2(CCOC2)O1 ZINC000366541401 489192866 /nfs/dbraw/zinc/19/28/66/489192866.db2.gz SFZZQNTUWLLNBG-LRDDRELGSA-N -1 3 372.443 0.906 10 0 FCAEHM O=C(CCn1cnc2sccc2c1=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282885657 489196931 /nfs/dbraw/zinc/19/69/31/489196931.db2.gz KAAKDSLBFZJWIH-SNVBAGLBSA-N -1 3 374.426 0.666 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H](C)C(=O)NCCF ZINC000282914920 489198961 /nfs/dbraw/zinc/19/89/61/489198961.db2.gz YBJMADKZGBUSHA-UWVGGRQHSA-N -1 3 363.386 0.083 10 0 FCAEHM O=C(CCn1cnc2ccccc2c1=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000283027962 489207674 /nfs/dbraw/zinc/20/76/74/489207674.db2.gz YDADFFFFGMETKN-GFCCVEGCSA-N -1 3 368.397 0.604 10 0 FCAEHM CCOCCOCC(=O)N1CCC(c2n[n-]c(C(=O)OCC)n2)CC1 ZINC000369364633 489230193 /nfs/dbraw/zinc/23/01/93/489230193.db2.gz XTFFAEFRPFKQOR-UHFFFAOYSA-N -1 3 354.407 0.741 10 0 FCAEHM CCOCCOCC(=O)N1CCC(c2nnc(C(=O)OCC)[n-]2)CC1 ZINC000369364633 489230195 /nfs/dbraw/zinc/23/01/95/489230195.db2.gz XTFFAEFRPFKQOR-UHFFFAOYSA-N -1 3 354.407 0.741 10 0 FCAEHM Cc1nn(C)c2nc(C)cc(C(=O)Nc3[n-]nnc3C(=O)NC3CC3)c12 ZINC000297767441 489237597 /nfs/dbraw/zinc/23/75/97/489237597.db2.gz PNAINBBEZFOEIS-UHFFFAOYSA-N -1 3 354.374 0.848 10 0 FCAEHM Cc1nn(C)c2nc(C)cc(C(=O)Nc3nn[n-]c3C(=O)NC3CC3)c12 ZINC000297767441 489237601 /nfs/dbraw/zinc/23/76/01/489237601.db2.gz PNAINBBEZFOEIS-UHFFFAOYSA-N -1 3 354.374 0.848 10 0 FCAEHM Cc1nn(C)c2nc(C)cc(C(=O)Nc3n[n-]nc3C(=O)NC3CC3)c12 ZINC000297767441 489237604 /nfs/dbraw/zinc/23/76/04/489237604.db2.gz PNAINBBEZFOEIS-UHFFFAOYSA-N -1 3 354.374 0.848 10 0 FCAEHM CCS(=O)(=O)c1cccc(C(=O)Nc2[n-]nnc2C(=O)NC2CC2)c1 ZINC000297829302 489247735 /nfs/dbraw/zinc/24/77/35/489247735.db2.gz VPAVBANJTBDRHP-UHFFFAOYSA-N -1 3 363.399 0.743 10 0 FCAEHM CCS(=O)(=O)c1cccc(C(=O)Nc2nn[n-]c2C(=O)NC2CC2)c1 ZINC000297829302 489247738 /nfs/dbraw/zinc/24/77/38/489247738.db2.gz VPAVBANJTBDRHP-UHFFFAOYSA-N -1 3 363.399 0.743 10 0 FCAEHM CCS(=O)(=O)c1cccc(C(=O)Nc2n[n-]nc2C(=O)NC2CC2)c1 ZINC000297829302 489247741 /nfs/dbraw/zinc/24/77/41/489247741.db2.gz VPAVBANJTBDRHP-UHFFFAOYSA-N -1 3 363.399 0.743 10 0 FCAEHM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]c1cccc(-n2cnc(N(C)C)n2)c1 ZINC000570468629 491242973 /nfs/dbraw/zinc/24/29/73/491242973.db2.gz ACFAYUJJRMQWLJ-LLVKDONJSA-N -1 3 366.447 0.552 10 0 FCAEHM O=C(CNC(=O)c1cccc([O-])c1)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000283548057 489273713 /nfs/dbraw/zinc/27/37/13/489273713.db2.gz HOIGNQCREOIHLY-WMLDXEAASA-N -1 3 362.426 0.806 10 0 FCAEHM CNC(=O)CCOC1CCN(C(=O)c2cc(=O)[n-]c(N(C)C)n2)CC1 ZINC000555280471 491243622 /nfs/dbraw/zinc/24/36/22/491243622.db2.gz QGCUPBIUFDJGDC-UHFFFAOYSA-N -1 3 351.407 0.006 10 0 FCAEHM O=C1N[C@@H](CF)C(=O)N1CC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000348952274 489280385 /nfs/dbraw/zinc/28/03/85/489280385.db2.gz DYCVDWACRHYSKG-VIFPVBQESA-N -1 3 367.761 0.647 10 0 FCAEHM O=S(=O)(CCCS(=O)(=O)N[C@@H]1C[C@H]1C1CC1)[N-]c1cccnc1 ZINC000349545889 489312515 /nfs/dbraw/zinc/31/25/15/489312515.db2.gz RTYZZURHDHFFES-UONOGXRCSA-N -1 3 359.473 0.931 10 0 FCAEHM CC1(CNS(=O)(=O)CCCS(=O)(=O)[N-]c2cn[nH]c2)CCC1 ZINC000349572732 489319223 /nfs/dbraw/zinc/31/92/23/489319223.db2.gz KUTGQIVFYFFLJO-UHFFFAOYSA-N -1 3 350.466 0.651 10 0 FCAEHM O=c1nc(C2CCN(CCS(=O)(=O)Cc3ccccc3)CC2)[nH][n-]1 ZINC000298554760 489336790 /nfs/dbraw/zinc/33/67/90/489336790.db2.gz OQEWHMKDTBEGPS-UHFFFAOYSA-N -1 3 350.444 0.892 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCc2nc([C@@H]3CCOC[C@H]3C)no2)cn1C ZINC000350605316 489342912 /nfs/dbraw/zinc/34/29/12/489342912.db2.gz ZWDJGCDEUPHVOB-ZYHUDNBSSA-N -1 3 369.447 0.773 10 0 FCAEHM NC(=O)CNC(=O)c1ccc([N-]S(=O)(=O)CCc2cccs2)cc1 ZINC000570485733 491244367 /nfs/dbraw/zinc/24/43/67/491244367.db2.gz YKPBFMIVCNNARL-UHFFFAOYSA-N -1 3 367.452 0.948 10 0 FCAEHM CCN1C[C@@H](S(=O)(=O)[N-]Cc2n[nH]cc2Br)CC1=O ZINC000631934372 492890885 /nfs/dbraw/zinc/89/08/85/492890885.db2.gz YWENIZXMOMRLSX-ZETCQYMHSA-N -1 3 351.226 0.212 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-][C@@H](C(C)C)[C@H](O)C(F)(F)F)[C@H]1CCOC1 ZINC000632306197 492969119 /nfs/dbraw/zinc/96/91/19/492969119.db2.gz NEWVJMRPLRBRRW-BJDJZHNGSA-N -1 3 363.398 0.905 10 0 FCAEHM C[C@]1(C[C@H]2CCCN2C(=O)c2cnc(OCC3CC3)cn2)NC(=O)[N-]C1=O ZINC000286254961 489374038 /nfs/dbraw/zinc/37/40/38/489374038.db2.gz PJSIHGQFTPMBBH-KZULUSFZSA-N -1 3 373.413 0.858 10 0 FCAEHM COc1ccnc(N2CCN(C(=O)CCc3c(C)nc(C)[n-]c3=O)CC2)n1 ZINC000298907177 489380524 /nfs/dbraw/zinc/38/05/24/489380524.db2.gz BFWQYXSMJHNFED-UHFFFAOYSA-N -1 3 372.429 0.879 10 0 FCAEHM CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)CNC(=O)c2cccc([O-])c2)C1 ZINC000286520586 489400329 /nfs/dbraw/zinc/40/03/29/489400329.db2.gz YBFCUPUEWCJONY-AWEZNQCLSA-N -1 3 369.443 0.004 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N1CCO[C@]2(CCCOC2)C1 ZINC000286528790 489401305 /nfs/dbraw/zinc/40/13/05/489401305.db2.gz YAEDXIREGVFFOP-LJQANCHMSA-N -1 3 373.409 0.488 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)C[C@H]2Oc3ccccc3NC2=O)nc1=N ZINC000555534282 491253147 /nfs/dbraw/zinc/25/31/47/491253147.db2.gz LURRBEOEEUKANY-DGCLKSJQSA-N -1 3 356.386 0.681 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]CCN1CCCOCC1 ZINC000632259065 492959801 /nfs/dbraw/zinc/95/98/01/492959801.db2.gz BCUIBFWDCSNXNA-UHFFFAOYSA-N -1 3 356.370 0.440 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N(C)Cc1nccn1C ZINC000299249380 489423756 /nfs/dbraw/zinc/42/37/56/489423756.db2.gz YYPWFYJJKWCIND-NSHDSACASA-N -1 3 354.407 0.885 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H]1CCN(c2cnn(C)c2)C1 ZINC000371021588 489439240 /nfs/dbraw/zinc/43/92/40/489439240.db2.gz FAPFRKRMPNTUDH-JTQLQIEISA-N -1 3 358.855 0.673 10 0 FCAEHM COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000371225384 489468898 /nfs/dbraw/zinc/46/88/98/489468898.db2.gz IYUBCYHFWICLKK-STQMWFEESA-N -1 3 374.397 0.531 10 0 FCAEHM COC(=O)[C@@H](CF)[N-]S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000287327354 489477599 /nfs/dbraw/zinc/47/75/99/489477599.db2.gz FZYNDNKTIGUDSK-MRVPVSSYSA-N -1 3 353.755 0.901 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CF)C(=O)OC)ccc1Cl ZINC000287338654 489478621 /nfs/dbraw/zinc/47/86/21/489478621.db2.gz GSYDBUWGUUAYGT-JTQLQIEISA-N -1 3 353.755 0.916 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCc3[nH]cnc3C2)ccc1F ZINC000371349822 489479327 /nfs/dbraw/zinc/47/93/27/489479327.db2.gz MUHSTODKUSTZHK-SNVBAGLBSA-N -1 3 352.391 0.744 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCc3nc[nH]c3C2)ccc1F ZINC000371349822 489479329 /nfs/dbraw/zinc/47/93/29/489479329.db2.gz MUHSTODKUSTZHK-SNVBAGLBSA-N -1 3 352.391 0.744 10 0 FCAEHM O=C(c1ccnc(N2CCCCC2)n1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000570664726 491256747 /nfs/dbraw/zinc/25/67/47/491256747.db2.gz LNOHKADFSWEIPC-KRWDZBQOSA-N -1 3 358.402 0.281 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N(C)[C@@H]1CCCCNC1=O ZINC000371574214 489488747 /nfs/dbraw/zinc/48/87/47/489488747.db2.gz YUNYEKMYPUXKCD-WCQYABFASA-N -1 3 371.434 0.620 10 0 FCAEHM CC[C@H]([N-]S(=O)(=O)C[C@H]1CCCC1(F)F)C(=O)N1CCOCC1 ZINC000451303679 489497738 /nfs/dbraw/zinc/49/77/38/489497738.db2.gz MXTKMNDETHOHAY-NEPJUHHUSA-N -1 3 354.419 0.979 10 0 FCAEHM COC(=O)[C@@H]1CSCCN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000414418242 489499249 /nfs/dbraw/zinc/49/92/49/489499249.db2.gz YRRMGKYFECMDON-VIFPVBQESA-N -1 3 363.395 0.940 10 0 FCAEHM Cc1nn(C)cc1CC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000451459654 489505261 /nfs/dbraw/zinc/50/52/61/489505261.db2.gz YCQZBFOZJFPIBW-UHFFFAOYSA-N -1 3 372.397 0.644 10 0 FCAEHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC(C)(OCC)C1 ZINC000451632733 489513711 /nfs/dbraw/zinc/51/37/11/489513711.db2.gz PEICIKAMBCLNQH-UHFFFAOYSA-N -1 3 362.473 0.784 10 0 FCAEHM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-]CC2=CCOCC2)c1 ZINC000451673301 489516539 /nfs/dbraw/zinc/51/65/39/489516539.db2.gz KNPMYBQYKDAFFP-UHFFFAOYSA-N -1 3 369.395 0.885 10 0 FCAEHM CC[C@@H]([N-]S(=O)(=O)C1CN(C(=O)C2CCCC2)C1)[C@@H](O)C(F)F ZINC000451717485 489519943 /nfs/dbraw/zinc/51/99/43/489519943.db2.gz TUXKLEJWCWVKDC-VXGBXAGGSA-N -1 3 354.419 0.711 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)NCCCC2CCOCC2)cn1C ZINC000452206592 489550463 /nfs/dbraw/zinc/55/04/63/489550463.db2.gz LEGALMKPAOVDFT-UHFFFAOYSA-N -1 3 372.491 0.720 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)NCCCC2CCOCC2)cn1C ZINC000452211744 489550671 /nfs/dbraw/zinc/55/06/71/489550671.db2.gz YTSIUWKCDBRJPO-UHFFFAOYSA-N -1 3 358.464 0.330 10 0 FCAEHM COC(=O)CC[C@H](CC1CCCCC1)NC(=O)CN1CC(=O)[N-]C1=O ZINC000416272104 489576481 /nfs/dbraw/zinc/57/64/81/489576481.db2.gz UTKMSBYIZOJLLD-CYBMUJFWSA-N -1 3 353.419 0.947 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)[C@H](C)CN1CCO ZINC000416288680 489577461 /nfs/dbraw/zinc/57/74/61/489577461.db2.gz DIRLTTSYJSQDQY-VXGBXAGGSA-N -1 3 373.450 0.724 10 0 FCAEHM O=c1[nH]c2cc(F)c(S(=O)(=O)[N-]CCCN3CCCC3=O)cc2o1 ZINC000416373084 489586261 /nfs/dbraw/zinc/58/62/61/489586261.db2.gz LMJGDXLRZSOVQK-UHFFFAOYSA-N -1 3 357.363 0.551 10 0 FCAEHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]CC(=O)NCC(F)(F)F)cn21 ZINC000416377390 489586602 /nfs/dbraw/zinc/58/66/02/489586602.db2.gz VMDIRAXSDYMCIL-MRVPVSSYSA-N -1 3 354.354 0.737 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)N2CCN(CCO)C[C@@H]2C)ccc1F ZINC000455401744 489591608 /nfs/dbraw/zinc/59/16/08/489591608.db2.gz LKBOWTVAAUABEU-NSHDSACASA-N -1 3 374.438 0.264 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)NCC2(C)CCC2)s1 ZINC000427189469 489597047 /nfs/dbraw/zinc/59/70/47/489597047.db2.gz MOVSBRCGDONRKR-UHFFFAOYSA-N -1 3 373.500 0.969 10 0 FCAEHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](CO)c1ccnn1C ZINC000416547869 489608762 /nfs/dbraw/zinc/60/87/62/489608762.db2.gz MEHVCLDHRUYHOX-LLVKDONJSA-N -1 3 373.818 0.872 10 0 FCAEHM O=S(=O)([N-]C[C@H](O)Cn1ccnn1)c1cc(Cl)cc(Cl)c1 ZINC000416564613 489610347 /nfs/dbraw/zinc/61/03/47/489610347.db2.gz RQBWBMDOTYBEBV-JTQLQIEISA-N -1 3 351.215 0.924 10 0 FCAEHM COC(=O)[C@@H](NC(=O)CNC(=O)c1cccc([O-])c1)c1cccc(O)c1 ZINC000427658250 489616778 /nfs/dbraw/zinc/61/67/78/489616778.db2.gz WTKIBUAALWCVEN-INIZCTEOSA-N -1 3 358.350 0.858 10 0 FCAEHM O=C(NCCCNC(=O)c1cc2c(cn1)nc[nH]c2=O)c1cccc([O-])c1 ZINC000427759078 489619709 /nfs/dbraw/zinc/61/97/09/489619709.db2.gz MPHCSSIITYOHRW-UHFFFAOYSA-N -1 3 367.365 0.986 10 0 FCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000428056526 489635244 /nfs/dbraw/zinc/63/52/44/489635244.db2.gz MOVBDNKHQOEMED-WDEREUQCSA-N -1 3 359.382 0.714 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCN(CCO)C[C@@H]1C ZINC000457142003 489638276 /nfs/dbraw/zinc/63/82/76/489638276.db2.gz YVDYMIQRXOVDJA-STQMWFEESA-N -1 3 373.450 0.018 10 0 FCAEHM Cc1ccccc1[C@@H](CC(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1)NC(N)=O ZINC000570886732 491271471 /nfs/dbraw/zinc/27/14/71/491271471.db2.gz GHJOUDVQZBHAGC-ZIAGYGMSSA-N -1 3 371.445 0.999 10 0 FCAEHM COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@@H]1CCC(=O)N(C)C1 ZINC000469301463 489701501 /nfs/dbraw/zinc/70/15/01/489701501.db2.gz SWMWETPASOONCG-GFCCVEGCSA-N -1 3 360.407 0.750 10 0 FCAEHM O=C(CN1CCC[C@]2(C1)NC(=O)[N-]C2=O)NC1C2CC3CC(C2)CC1C3 ZINC000563848605 491272859 /nfs/dbraw/zinc/27/28/59/491272859.db2.gz APEDRBWUDNFUNU-JMNUTLKTSA-N -1 3 360.458 0.601 10 0 FCAEHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1C[C@H](C(N)=O)CC[C@H]1C ZINC000430224708 489725678 /nfs/dbraw/zinc/72/56/78/489725678.db2.gz WHFQMJBKWBJUFM-NXEZZACHSA-N -1 3 367.427 0.976 10 0 FCAEHM Cc1ccnc(C(=O)[N-]c2ncn(CC(=O)NCc3ccccc3)n2)n1 ZINC000470877068 489728045 /nfs/dbraw/zinc/72/80/45/489728045.db2.gz DNJHBZBOVBTJNH-UHFFFAOYSA-N -1 3 351.370 0.945 10 0 FCAEHM Cc1nc2nc(N)nn2c(C)c1CCC(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473847434 489740872 /nfs/dbraw/zinc/74/08/72/489740872.db2.gz CICLEFYCXWSNSM-CYBMUJFWSA-N -1 3 370.417 0.891 10 0 FCAEHM C/C=C/C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]C)nc1)C(=O)OCC ZINC000474423333 489762727 /nfs/dbraw/zinc/76/27/27/489762727.db2.gz ZCIMTLYXEWSKTF-FUEXJSSKSA-N -1 3 355.416 0.617 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@@H](C)NC(=O)c2cc3c(C)nn(C)c3s2)n1 ZINC000490736939 489781902 /nfs/dbraw/zinc/78/19/02/489781902.db2.gz VOKZPJIQPINYPN-SSDOTTSWSA-N -1 3 363.403 0.827 10 0 FCAEHM COc1nc(NC(=O)C2(NC(=O)c3c(C)nn(C)c3C)CCCC2)n[n-]1 ZINC000490735975 489782359 /nfs/dbraw/zinc/78/23/59/489782359.db2.gz SHLIPZKGSDRUNQ-UHFFFAOYSA-N -1 3 361.406 0.845 10 0 FCAEHM COc1nnc(NC(=O)C2(NC(=O)c3c(C)nn(C)c3C)CCCC2)[n-]1 ZINC000490735975 489782365 /nfs/dbraw/zinc/78/23/65/489782365.db2.gz SHLIPZKGSDRUNQ-UHFFFAOYSA-N -1 3 361.406 0.845 10 0 FCAEHM COc1n[n-]c(NC(=O)C2(NC(=O)c3c(C)nn(C)c3C)CCCC2)n1 ZINC000490735975 489782372 /nfs/dbraw/zinc/78/23/72/489782372.db2.gz SHLIPZKGSDRUNQ-UHFFFAOYSA-N -1 3 361.406 0.845 10 0 FCAEHM CC1(C)CC(=O)c2cc(NC(=O)C(=O)[N-]N3CCCNC3=O)ccc2O1 ZINC000376844356 489803804 /nfs/dbraw/zinc/80/38/04/489803804.db2.gz MAVLGOAOUATSDR-UHFFFAOYSA-N -1 3 360.370 0.815 10 0 FCAEHM CN(C)S(=O)(=O)c1ccc(NC(=O)NCc2ncccc2[O-])nc1 ZINC000432807882 489855006 /nfs/dbraw/zinc/85/50/06/489855006.db2.gz GJBWBDASGGXHSB-UHFFFAOYSA-N -1 3 351.388 0.754 10 0 FCAEHM C[C@@]1(c2ccc(CNC(=O)NCCc3cn[nH]c3)cc2)NC(=O)[N-]C1=O ZINC000460344442 489864530 /nfs/dbraw/zinc/86/45/30/489864530.db2.gz BDPNVDLQIUIFCK-KRWDZBQOSA-N -1 3 356.386 0.506 10 0 FCAEHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)[C@@H]1OC ZINC000460487627 489869070 /nfs/dbraw/zinc/86/90/70/489869070.db2.gz GICOIBIYIZOMLF-GYSYKLTISA-N -1 3 363.457 0.561 10 0 FCAEHM NC(=O)c1coc(C[N-]S(=O)(=O)c2ccccc2Cn2cncn2)c1 ZINC000494330437 489883766 /nfs/dbraw/zinc/88/37/66/489883766.db2.gz OAKIWMLLACNHEJ-UHFFFAOYSA-N -1 3 361.383 0.497 10 0 FCAEHM COC(=O)c1ccc(CS(=O)(=O)[N-]Cc2cc(C(N)=O)co2)cc1 ZINC000494339684 489884722 /nfs/dbraw/zinc/88/47/22/489884722.db2.gz GMJLSDRYLXWPKN-UHFFFAOYSA-N -1 3 352.368 0.785 10 0 FCAEHM C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000494465416 489892749 /nfs/dbraw/zinc/89/27/49/489892749.db2.gz VZUOQZRXJPVGGQ-AJLCLMPTSA-N -1 3 358.398 0.467 10 0 FCAEHM Cc1nc(C[N-]S(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)no1 ZINC000433658533 489894845 /nfs/dbraw/zinc/89/48/45/489894845.db2.gz GRMJKIAYTNYXEV-UHFFFAOYSA-N -1 3 364.380 0.367 10 0 FCAEHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC(=O)[C@@H](C)C1 ZINC000433863922 489902650 /nfs/dbraw/zinc/90/26/50/489902650.db2.gz UGSSNHMMNHEPPF-NSHDSACASA-N -1 3 360.457 0.584 10 0 FCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000495180450 489929868 /nfs/dbraw/zinc/92/98/68/489929868.db2.gz NDAYUERZVAGNBY-NXEZZACHSA-N -1 3 355.366 0.787 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NC1CCN(c2nc3ccccc3s2)CC1 ZINC000377630523 489933333 /nfs/dbraw/zinc/93/33/33/489933333.db2.gz FFLLJUIUNXHFIJ-UHFFFAOYSA-N -1 3 373.438 0.933 10 0 FCAEHM C/C=C\C[C@H]([N-]S(=O)(=O)N1CCC(C(=O)OC)CC1)C(=O)OCC ZINC000477133482 489945758 /nfs/dbraw/zinc/94/57/58/489945758.db2.gz GACNLTVFLPVJSX-AGLBCWCQSA-N -1 3 362.448 0.604 10 0 FCAEHM COc1ccc(S(=O)(=O)N2CC(C)C2)cc1[C@]1(C)NC(=O)[N-]C1=O ZINC000477150035 489946511 /nfs/dbraw/zinc/94/65/11/489946511.db2.gz HKTDLJZUYAQZPA-HNNXBMFYSA-N -1 3 353.400 0.390 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-][C@@H]2CCN(C3CCOCC3)C2=O)CCC1 ZINC000462090757 489956657 /nfs/dbraw/zinc/95/66/57/489956657.db2.gz GUUGXZBJOMYVRB-CYBMUJFWSA-N -1 3 374.459 0.029 10 0 FCAEHM CCOc1ccc(CN(C)C(=O)CN2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000434789251 489957034 /nfs/dbraw/zinc/95/70/34/489957034.db2.gz XATNQXBRACOUIM-LJQANCHMSA-N -1 3 374.441 0.718 10 0 FCAEHM CCn1nccc1CN(CCO)C(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000477423311 489963960 /nfs/dbraw/zinc/96/39/60/489963960.db2.gz WJDJRYNMGOLRON-UHFFFAOYSA-N -1 3 370.431 0.347 10 0 FCAEHM O=C(Cn1ccnc1)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000462414254 489974437 /nfs/dbraw/zinc/97/44/37/489974437.db2.gz LACDMFBPJSGHFJ-UHFFFAOYSA-N -1 3 360.798 0.770 10 0 FCAEHM CC(C)N1CCN(c2ccc(C(=O)NCCc3nc(=O)o[n-]3)cc2)CC1 ZINC000556077845 491292229 /nfs/dbraw/zinc/29/22/29/491292229.db2.gz VCKSUPRZXKXBNJ-UHFFFAOYSA-N -1 3 359.430 0.866 10 0 FCAEHM CCOC(=O)COc1ccc(CN2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000435030430 489975250 /nfs/dbraw/zinc/97/52/50/489975250.db2.gz RLDKMZUITDMNDX-SFHVURJKSA-N -1 3 361.398 0.803 10 0 FCAEHM COC(=O)CCn1nc(C)c(CN2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1C ZINC000435045607 489977877 /nfs/dbraw/zinc/97/78/77/489977877.db2.gz ZLVIKDRIZXTBMD-KRWDZBQOSA-N -1 3 363.418 0.237 10 0 FCAEHM COC[C@@H](CO)NC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000477744480 489988433 /nfs/dbraw/zinc/98/84/33/489988433.db2.gz PCNDMSRTGRLHEL-SNVBAGLBSA-N -1 3 374.440 0.557 10 0 FCAEHM CN(C)c1ccc(NC(=O)C(=O)NCc2nnc(C(F)(F)F)[n-]2)cn1 ZINC000477990153 489999427 /nfs/dbraw/zinc/99/94/27/489999427.db2.gz PZTLCHJVJPKQRI-UHFFFAOYSA-N -1 3 357.296 0.539 10 0 FCAEHM CN(C)c1ccc(NC(=O)C(=O)NCc2n[n-]c(C(F)(F)F)n2)cn1 ZINC000477990153 489999429 /nfs/dbraw/zinc/99/94/29/489999429.db2.gz PZTLCHJVJPKQRI-UHFFFAOYSA-N -1 3 357.296 0.539 10 0 FCAEHM CN(C)c1ccc(NC(=O)C(=O)NCc2nc(C(F)(F)F)n[n-]2)cn1 ZINC000477990153 489999432 /nfs/dbraw/zinc/99/94/32/489999432.db2.gz PZTLCHJVJPKQRI-UHFFFAOYSA-N -1 3 357.296 0.539 10 0 FCAEHM CC(=O)N1CCN(C(=O)CC[N-]S(=O)(=O)c2ccccc2F)[C@@H](C)C1 ZINC000478020896 490000812 /nfs/dbraw/zinc/00/08/12/490000812.db2.gz DCVYVANFYKIXIQ-LBPRGKRZSA-N -1 3 371.434 0.573 10 0 FCAEHM O=C(CC[C@@H]1NC(=O)[N-]C1=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000378096717 490009165 /nfs/dbraw/zinc/00/91/65/490009165.db2.gz XGRDLYHKTMATNX-ONGXEEELSA-N -1 3 351.794 0.418 10 0 FCAEHM O=C(NC[C@H](O)COCC1CC1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436632706 490009664 /nfs/dbraw/zinc/00/96/64/490009664.db2.gz ZWOBBDAFAXFQDI-GOEBONIOSA-N -1 3 362.426 0.901 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCN(c2ccnc(N3CCOCC3)n2)CC1 ZINC000436908893 490015496 /nfs/dbraw/zinc/01/54/96/490015496.db2.gz KUOSFWCGBCPNBV-UHFFFAOYSA-N -1 3 369.425 0.981 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000378385930 490057489 /nfs/dbraw/zinc/05/74/89/490057489.db2.gz ZGHKGJLZGACAPS-JTQLQIEISA-N -1 3 372.303 0.632 10 0 FCAEHM C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000479256316 490078301 /nfs/dbraw/zinc/07/83/01/490078301.db2.gz XGQQQTTWNAETIO-AJLCLMPTSA-N -1 3 358.398 0.467 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCC1(CC(N)=O)CC1 ZINC000421913080 490110253 /nfs/dbraw/zinc/11/02/53/490110253.db2.gz FXIQTATYUZWFKM-JTQLQIEISA-N -1 3 357.407 0.264 10 0 FCAEHM NC(=O)c1ccc(NC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)cn1 ZINC000479694913 490116047 /nfs/dbraw/zinc/11/60/47/490116047.db2.gz QWZISGMUYBEKDL-UHFFFAOYSA-N -1 3 353.338 0.625 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1C[C@H](C)C[C@@H](CO)C1 ZINC000421940524 490117471 /nfs/dbraw/zinc/11/74/71/490117471.db2.gz PVPWXMFWHABVIZ-FRRDWIJNSA-N -1 3 358.435 0.969 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(N)=O)C2)cc1F ZINC000445048214 490122890 /nfs/dbraw/zinc/12/28/90/490122890.db2.gz LFPNPSSZQWBRDK-ZJUUUORDSA-N -1 3 358.391 0.935 10 0 FCAEHM COCC[C@@]1([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)CCOC1 ZINC000445061222 490124636 /nfs/dbraw/zinc/12/46/36/490124636.db2.gz CDKIKBZXBQOJCW-CQSZACIVSA-N -1 3 363.457 0.564 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H]1CCCC[C@H]1C(N)=O ZINC000465494073 490124971 /nfs/dbraw/zinc/12/49/71/490124971.db2.gz OKNKXLIBPJLEBO-MNOVXSKESA-N -1 3 360.457 0.413 10 0 FCAEHM Cc1nc(C)c(CC(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)c(=O)[n-]1 ZINC000506686879 490127030 /nfs/dbraw/zinc/12/70/30/490127030.db2.gz KWIWLFVPDLNENK-YPMHNXCESA-N -1 3 356.448 0.176 10 0 FCAEHM C[C@H](C(=O)Nc1cc(-c2nccn2C)[n-]n1)S(=O)(=O)C1CCOCC1 ZINC000532940510 490143855 /nfs/dbraw/zinc/14/38/55/490143855.db2.gz WNTJMYZQGHAETH-SNVBAGLBSA-N -1 3 367.431 0.731 10 0 FCAEHM O=C(Cn1cc(I)c(=O)[n-]c1=O)NC1CCCC1 ZINC000564352951 491303024 /nfs/dbraw/zinc/30/30/24/491303024.db2.gz XJVCBLXQQZCONH-UHFFFAOYSA-N -1 3 363.155 0.612 10 0 FCAEHM O=C(c1ccc([O-])cc1)N1CCN(C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC000533035756 490161864 /nfs/dbraw/zinc/16/18/64/490161864.db2.gz ZVFBJYSNESGJNC-ZWKOTPCHSA-N -1 3 364.442 0.707 10 0 FCAEHM O=C(c1ccc([O-])cc1)N1CCN(C[C@@H](O)COC[C@H]2CCCO2)CC1 ZINC000533035754 490161922 /nfs/dbraw/zinc/16/19/22/490161922.db2.gz ZVFBJYSNESGJNC-QZTJIDSGSA-N -1 3 364.442 0.707 10 0 FCAEHM C[C@@H](CCNC(=O)NCC[N-]S(=O)(=O)c1cccs1)[S@@](C)=O ZINC000446891134 490169154 /nfs/dbraw/zinc/16/91/54/490169154.db2.gz UPKNJCNHTSMLAL-CHNSCGDPSA-N -1 3 367.518 0.483 10 0 FCAEHM C[C@@]1(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2[O-])CCC(=O)NC1 ZINC000545992657 490173014 /nfs/dbraw/zinc/17/30/14/490173014.db2.gz ZDNMSTXRLCOKBP-MRXNPFEDSA-N -1 3 367.427 0.787 10 0 FCAEHM CCOC(=O)[C@]1(COC)CCCN(C(=O)c2cc(=O)[n-]c(N(C)C)n2)C1 ZINC000545992696 490173331 /nfs/dbraw/zinc/17/33/31/490173331.db2.gz FVHIMTUYZANNRL-QGZVFWFLSA-N -1 3 366.418 0.680 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000564408693 491305429 /nfs/dbraw/zinc/30/54/29/491305429.db2.gz AOFYFIGDGVVITN-GOSISDBHSA-N -1 3 355.398 0.904 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](C)S(C)(=O)=O)c(Cl)c1 ZINC000533150076 490186291 /nfs/dbraw/zinc/18/62/91/490186291.db2.gz INKPSCXNCRSIMB-QMMMGPOBSA-N -1 3 369.848 0.838 10 0 FCAEHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1cc(C(=O)NC)n(C)c1 ZINC000447143611 490192818 /nfs/dbraw/zinc/19/28/18/490192818.db2.gz CZMZLLNQXJQWJY-UHFFFAOYSA-N -1 3 354.432 0.976 10 0 FCAEHM O=C(N[C@@H]1CCOC2(CCSCC2)C1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000546138571 490194767 /nfs/dbraw/zinc/19/47/67/490194767.db2.gz UGBJBDZKGMPLOF-NEPJUHHUSA-N -1 3 368.459 0.377 10 0 FCAEHM CC(=O)N1CSC[C@@H]1C(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000407988898 490196960 /nfs/dbraw/zinc/19/69/60/490196960.db2.gz IHHJUCBPZFGIGZ-OAHLLOKOSA-N -1 3 363.439 0.598 10 0 FCAEHM O=C(c1ccccc1)N1CCC[C@@H]1C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000408033583 490219372 /nfs/dbraw/zinc/21/93/72/490219372.db2.gz OALQKYZBBHSZRF-ZIAGYGMSSA-N -1 3 356.382 0.054 10 0 FCAEHM CNS(=O)(=O)c1cccc([N-]C(=O)c2ccc(S(C)(=O)=O)o2)c1 ZINC000497826385 490219956 /nfs/dbraw/zinc/21/99/56/490219956.db2.gz QQDYYTNTUCQRSH-UHFFFAOYSA-N -1 3 358.397 0.844 10 0 FCAEHM CNC(=O)[C@@H]1CCCN1C(=O)C[N-]S(=O)(=O)Cc1ccc(C)cc1F ZINC000480639806 490220217 /nfs/dbraw/zinc/22/02/17/490220217.db2.gz WEOOKUMGURDXTA-AWEZNQCLSA-N -1 3 371.434 0.291 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC[C@@H]([C@@H]3CCOC3)C2)cn1C ZINC000533503687 490246426 /nfs/dbraw/zinc/24/64/26/490246426.db2.gz CVLLZZIPVPHCHJ-ZIAGYGMSSA-N -1 3 370.475 0.282 10 0 FCAEHM CC(C)c1noc(CCCNC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)n1 ZINC000546819354 490248433 /nfs/dbraw/zinc/24/84/33/490248433.db2.gz UDUXCPUOOSIURC-JTQLQIEISA-N -1 3 350.379 0.071 10 0 FCAEHM O=C(c1cccc([O-])c1)N1CCN(C[C@H](O)COC[C@@H]2CCCO2)CC1 ZINC000533531584 490249729 /nfs/dbraw/zinc/24/97/29/490249729.db2.gz SCQXPYWGBOXZSY-ROUUACIJSA-N -1 3 364.442 0.707 10 0 FCAEHM COC(=O)COc1cccc(C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000447750832 490264361 /nfs/dbraw/zinc/26/43/61/490264361.db2.gz NBDVWELGCWSJON-QGZVFWFLSA-N -1 3 361.354 0.053 10 0 FCAEHM NC(=O)[C@@H]1CCCCC[C@H]1NC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000467204234 490267267 /nfs/dbraw/zinc/26/72/67/490267267.db2.gz XUKRLFARYQAPAC-VXGBXAGGSA-N -1 3 373.500 0.967 10 0 FCAEHM O=C(N[C@H]1CCN(c2ccc(F)cc2)C1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000521578742 490277517 /nfs/dbraw/zinc/27/75/17/490277517.db2.gz LICRIUAXXWVRIY-GXTWGEPZSA-N -1 3 361.377 0.350 10 0 FCAEHM CN(C)c1nc(C(=O)NCCCN2C(=O)COc3ccccc32)cc(=O)[n-]1 ZINC000547326463 490279614 /nfs/dbraw/zinc/27/96/14/490279614.db2.gz QOZHLYSIGNIDRS-UHFFFAOYSA-N -1 3 371.397 0.794 10 0 FCAEHM CO[C@H](CS(=O)(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)C1CC1 ZINC000521617910 490281664 /nfs/dbraw/zinc/28/16/64/490281664.db2.gz LZNHREORFJHQFT-MRXNPFEDSA-N -1 3 368.455 0.905 10 0 FCAEHM CO[C@@H](CS(=O)(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)C1CC1 ZINC000521617909 490282460 /nfs/dbraw/zinc/28/24/60/490282460.db2.gz LZNHREORFJHQFT-INIZCTEOSA-N -1 3 368.455 0.905 10 0 FCAEHM C[C@]1(C[C@@H]2CCCN2C(=O)c2cc3c(cn2)OCCO3)NC(=O)[N-]C1=O ZINC000521614177 490282613 /nfs/dbraw/zinc/28/26/13/490282613.db2.gz AICKSWQJKCAIRY-DYZYQPBXSA-N -1 3 360.370 0.446 10 0 FCAEHM O=S(=O)([N-]CC(F)(F)F)c1cccc(S(=O)(=O)N2CCOC2)c1 ZINC000521646409 490286777 /nfs/dbraw/zinc/28/67/77/490286777.db2.gz SBDXHZRXDQVFGC-UHFFFAOYSA-N -1 3 374.362 0.506 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCC[C@]3(CNC(=O)C3)C2)cc1 ZINC000408248387 490287744 /nfs/dbraw/zinc/28/77/44/490287744.db2.gz UTMZMSFCWGJOSZ-INIZCTEOSA-N -1 3 351.428 0.800 10 0 FCAEHM COC(=O)[C@H]1CCN(C(=O)CC[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000521844468 490301226 /nfs/dbraw/zinc/30/12/26/490301226.db2.gz MFCZPEDPPATWMX-NSHDSACASA-N -1 3 358.391 0.516 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@@]1(CCO)CCOC1 ZINC000534006200 490308770 /nfs/dbraw/zinc/30/87/70/490308770.db2.gz LPUNLLGZKVIGBS-CQSZACIVSA-N -1 3 363.457 0.158 10 0 FCAEHM C[C@@H]1CCCCN1S(=O)(=O)[N-][C@@H]1CCCN(c2ccnn2C)C1=O ZINC000408387782 490322326 /nfs/dbraw/zinc/32/23/26/490322326.db2.gz YFJRAOAMFHOPFE-CHWSQXEVSA-N -1 3 355.464 0.624 10 0 FCAEHM C[C@@H](C(=O)Nc1cccc(NC(=O)CN2CC(=O)[N-]C2=O)c1)n1cccn1 ZINC000522048163 490333577 /nfs/dbraw/zinc/33/35/77/490333577.db2.gz FGJQKOQHRWHPET-NSHDSACASA-N -1 3 370.369 0.573 10 0 FCAEHM CS(=O)(=O)Nc1ccc(NC(=O)CN2CC(=O)[N-]C2=O)cc1Cl ZINC000522050472 490334416 /nfs/dbraw/zinc/33/44/16/490334416.db2.gz QGUAHGUFRXGWLJ-UHFFFAOYSA-N -1 3 360.779 0.202 10 0 FCAEHM CCCCc1nc(C(=O)OCC)c(NC(=O)CN2CCOCC2=O)[n-]1 ZINC000448398873 490343908 /nfs/dbraw/zinc/34/39/08/490343908.db2.gz WSCSPCJMBFFCOG-UHFFFAOYSA-N -1 3 352.391 0.726 10 0 FCAEHM CCCCc1nc(NC(=O)CN2CCOCC2=O)c(C(=O)OCC)[n-]1 ZINC000448398873 490343914 /nfs/dbraw/zinc/34/39/14/490343914.db2.gz WSCSPCJMBFFCOG-UHFFFAOYSA-N -1 3 352.391 0.726 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CCSC[C@H]1CCO ZINC000534343843 490356697 /nfs/dbraw/zinc/35/66/97/490356697.db2.gz PHZLQSBWYDDALU-LLVKDONJSA-N -1 3 364.514 0.743 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C(F)(F)F)n[nH]2)c(C)o1 ZINC000448514555 490359517 /nfs/dbraw/zinc/35/95/17/490359517.db2.gz BBOGLGXBHUEZFQ-UHFFFAOYSA-N -1 3 352.294 1.490 10 0 FCAEHM Cc1cc(S(=O)(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)c(Cl)cc1F ZINC000498912371 490364341 /nfs/dbraw/zinc/36/43/41/490364341.db2.gz UUCQWGDGPZWTHE-SNVBAGLBSA-N -1 3 361.782 0.712 10 0 FCAEHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000468286464 490381258 /nfs/dbraw/zinc/38/12/58/490381258.db2.gz FIDSCPLHFAICLJ-UHFFFAOYSA-N -1 3 359.386 0.232 10 0 FCAEHM O=C(NC1CC1)c1nn[n-]c1NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000411102715 490389905 /nfs/dbraw/zinc/38/99/05/490389905.db2.gz DDFXHCWGTZYEAN-SNVBAGLBSA-N -1 3 358.333 0.901 10 0 FCAEHM O=C(NC1CC1)c1[n-]nnc1NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000411102715 490389913 /nfs/dbraw/zinc/38/99/13/490389913.db2.gz DDFXHCWGTZYEAN-SNVBAGLBSA-N -1 3 358.333 0.901 10 0 FCAEHM O=C(NC1CC1)c1n[n-]nc1NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000411102715 490389918 /nfs/dbraw/zinc/38/99/18/490389918.db2.gz DDFXHCWGTZYEAN-SNVBAGLBSA-N -1 3 358.333 0.901 10 0 FCAEHM Cc1cc(COCC(=O)NCC[N-]S(=O)(=O)c2cccs2)on1 ZINC000509172498 490398612 /nfs/dbraw/zinc/39/86/12/490398612.db2.gz CYAOEZVURZTENF-UHFFFAOYSA-N -1 3 359.429 0.656 10 0 FCAEHM Cn1c(=O)[nH]cc(C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)c1=O ZINC000534751936 490405347 /nfs/dbraw/zinc/40/53/47/490405347.db2.gz JMRSWHHTFLHVLJ-UHFFFAOYSA-N -1 3 372.381 0.682 10 0 FCAEHM CSc1nc(=NC(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C)s[n-]1 ZINC000534752896 490405370 /nfs/dbraw/zinc/40/53/70/490405370.db2.gz SUZUVYAMDQAHHM-JTQLQIEISA-N -1 3 374.536 0.896 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)[C@@H]2CC[C@H](C(=O)OC)C2)s1 ZINC000411219721 490407995 /nfs/dbraw/zinc/40/79/95/490407995.db2.gz QVSXLVNZAXKGRO-ZJUUUORDSA-N -1 3 360.457 0.862 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCc1cccc(NC(=O)c2ccncc2)c1 ZINC000484318143 490410240 /nfs/dbraw/zinc/41/02/40/490410240.db2.gz KRFRCUNGUZNRFR-AWEZNQCLSA-N -1 3 367.365 0.548 10 0 FCAEHM CCOc1nc2cc(C(=O)NCC(=O)N3CCC[C@H]3C(=O)NC)ccc2[n-]1 ZINC000449842650 490432118 /nfs/dbraw/zinc/43/21/18/490432118.db2.gz DJGCRTKBETZOQM-AWEZNQCLSA-N -1 3 373.413 0.428 10 0 FCAEHM CCOc1nc2ccc(C(=O)NCC(=O)N3CCC[C@H]3C(=O)NC)cc2[n-]1 ZINC000449842650 490432125 /nfs/dbraw/zinc/43/21/25/490432125.db2.gz DJGCRTKBETZOQM-AWEZNQCLSA-N -1 3 373.413 0.428 10 0 FCAEHM CNC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]CC[C@@H](C)O)c1OC ZINC000509481917 490432770 /nfs/dbraw/zinc/43/27/70/490432770.db2.gz WGYJDKUJYLOEBT-MRVPVSSYSA-N -1 3 350.824 0.757 10 0 FCAEHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCN(c3nccn(C)c3=O)CC2)c1 ZINC000535101336 490456544 /nfs/dbraw/zinc/45/65/44/490456544.db2.gz PKZVRHZMMUXIPL-UHFFFAOYSA-N -1 3 371.397 0.407 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)[C@H](O)C1CCC1 ZINC000450313406 490459141 /nfs/dbraw/zinc/45/91/41/490459141.db2.gz QVDHLNUARACXNU-LLVKDONJSA-N -1 3 352.865 0.957 10 0 FCAEHM COCCNC(=O)c1cccc(S(=O)(=O)NCc2ncccc2[O-])c1 ZINC000509735814 490459813 /nfs/dbraw/zinc/45/98/13/490459813.db2.gz OVUYQOLNCLFSOX-UHFFFAOYSA-N -1 3 365.411 0.642 10 0 FCAEHM CN1C[C@@H](NC(=O)c2cc(C3CC3)nc3c2c(=O)[n-]c(=O)n3C)CCC1=O ZINC000523399541 490461495 /nfs/dbraw/zinc/46/14/95/490461495.db2.gz ADWDHQKBPKVIQB-JTQLQIEISA-N -1 3 371.397 0.262 10 0 FCAEHM COC(=O)c1ccc(NC(=O)C(=O)NCc2ncccc2[O-])cc1OC ZINC000484848538 490472935 /nfs/dbraw/zinc/47/29/35/490472935.db2.gz LHESIIWKDXPFGG-UHFFFAOYSA-N -1 3 359.338 0.837 10 0 FCAEHM Cn1ccc(C[N-]S(=O)(=O)c2ccccc2S(=O)(=O)NC2CC2)n1 ZINC000548371305 490474610 /nfs/dbraw/zinc/47/46/10/490474610.db2.gz SELNWZVKUHRMGO-UHFFFAOYSA-N -1 3 370.456 0.339 10 0 FCAEHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1C[C@@H](C(N)=O)CC[C@H]1C ZINC000500235946 490493340 /nfs/dbraw/zinc/49/33/40/490493340.db2.gz ZBDIBSQAPKOTAX-ZJUUUORDSA-N -1 3 367.427 0.894 10 0 FCAEHM C[C@](O)(C[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)C(F)(F)F ZINC000535538996 490497658 /nfs/dbraw/zinc/49/76/58/490497658.db2.gz YVLGAELNSRCRGY-JTQLQIEISA-N -1 3 361.363 0.682 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2CC(=O)NC[C@H]2COc3ccccc3O2)nc1=N ZINC000450905691 490498090 /nfs/dbraw/zinc/49/80/90/490498090.db2.gz PPYGAJNXBMGKST-QWHCGFSZSA-N -1 3 372.429 0.321 10 0 FCAEHM COC(=O)c1cc(F)cc(S(=O)(=O)NC2CCN(CC(=O)[O-])CC2)c1 ZINC000548546149 490503150 /nfs/dbraw/zinc/50/31/50/490503150.db2.gz DTYYXJOMMWTZHS-UHFFFAOYSA-N -1 3 374.390 0.440 10 0 FCAEHM COC(=O)c1sc2[n-]c(CN3CC[C@@H](NC(N)=O)C3)nc(=O)c2c1C ZINC000535681714 490512508 /nfs/dbraw/zinc/51/25/08/490512508.db2.gz RPKUXGFFOMPPJF-MRVPVSSYSA-N -1 3 365.415 0.322 10 0 FCAEHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)n[nH]1 ZINC000535692755 490513049 /nfs/dbraw/zinc/51/30/49/490513049.db2.gz RKUDTCOFAGFAGV-VIFPVBQESA-N -1 3 370.456 0.736 10 0 FCAEHM COC(=O)c1ccc(NC(=O)CN2CC(=O)[N-]C2=O)c(OC(F)F)c1 ZINC000524049624 490513209 /nfs/dbraw/zinc/51/32/09/490513209.db2.gz RPUYRQQZEIFFFE-UHFFFAOYSA-N -1 3 357.269 0.565 10 0 FCAEHM O=C([C@@H](OC1CCOCC1)c1ccccc1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000535725782 490517880 /nfs/dbraw/zinc/51/78/80/490517880.db2.gz MYJGPDDYAHMNGJ-CVEARBPZSA-N -1 3 373.409 0.686 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H]1CCn2ccnc2C1 ZINC000548623603 490519557 /nfs/dbraw/zinc/51/95/57/490519557.db2.gz OANVDFNPHSBJRB-NSHDSACASA-N -1 3 355.441 0.580 10 0 FCAEHM O=C(CNC(=O)c1ccc([O-])cc1)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000524169789 490522685 /nfs/dbraw/zinc/52/26/85/490522685.db2.gz FIYDMWMJUXGRGF-CQSZACIVSA-N -1 3 355.398 0.697 10 0 FCAEHM Cc1noc(CN2CCN(C(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)CC2)n1 ZINC000510602330 490527166 /nfs/dbraw/zinc/52/71/66/490527166.db2.gz USTDZHHJKWXYFW-UHFFFAOYSA-N -1 3 370.369 0.611 10 0 FCAEHM CN(C)c1nc(C(=O)Nc2cccc(CS(N)(=O)=O)c2)cc(=O)[n-]1 ZINC000549209720 490569637 /nfs/dbraw/zinc/56/96/37/490569637.db2.gz YFEQDMFSFASMBX-UHFFFAOYSA-N -1 3 351.388 0.289 10 0 FCAEHM CN(CC(N)=O)C(=O)c1cccc(NC(=O)NCc2ncccc2[O-])c1 ZINC000501098612 490578500 /nfs/dbraw/zinc/57/85/00/490578500.db2.gz HSEWBLBEXCNVMJ-UHFFFAOYSA-N -1 3 357.370 0.666 10 0 FCAEHM CN(C)c1nc(C(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)cc(=O)[n-]1 ZINC000549361084 490578949 /nfs/dbraw/zinc/57/89/49/490578949.db2.gz WBTVFXQGCUJWIC-ZDUSSCGKSA-N -1 3 373.388 0.918 10 0 FCAEHM CCn1cncc1S(=O)(=O)N1CCC[C@@H]1C[C@]1(C)NC(=O)[N-]C1=O ZINC000556818614 491339087 /nfs/dbraw/zinc/33/90/87/491339087.db2.gz OLTDOQYOBVFWNZ-YGRLFVJLSA-N -1 3 355.420 0.044 10 0 FCAEHM COC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)CCCS(C)(=O)=O ZINC000525407257 490603347 /nfs/dbraw/zinc/60/33/47/490603347.db2.gz PBQLGWJIOAEKFT-ZDUSSCGKSA-N -1 3 363.457 0.125 10 0 FCAEHM CCOC(=O)[C@H](Cc1ccccn1)[N-]S(=O)(=O)CC[C@@H]1CCOC1 ZINC000549815416 490609222 /nfs/dbraw/zinc/60/92/22/490609222.db2.gz UMAXTYBVCSXJAS-ZFWWWQNUSA-N -1 3 356.444 0.902 10 0 FCAEHM NC(=O)c1ccc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)cc1N1CCCCC1 ZINC000536908231 490622789 /nfs/dbraw/zinc/62/27/89/490622789.db2.gz DWYOHHVROVGEQG-LBPRGKRZSA-N -1 3 359.386 0.312 10 0 FCAEHM CNC(=O)CCNC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000511803248 490629468 /nfs/dbraw/zinc/62/94/68/490629468.db2.gz XPALKFWNPBGBGM-UHFFFAOYSA-N -1 3 371.440 0.686 10 0 FCAEHM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCCN(C)C3)C[C@H]1C(=O)[O-] ZINC000564976717 491342528 /nfs/dbraw/zinc/34/25/28/491342528.db2.gz UTRDFTFFMGXKOG-HBUWYVDXSA-N -1 3 351.447 0.500 10 0 FCAEHM O=C(Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1)N1CC(CO)C1 ZINC000486911415 490680426 /nfs/dbraw/zinc/68/04/26/490680426.db2.gz HHMQQNVRYVHUSH-UHFFFAOYSA-N -1 3 367.349 0.983 10 0 FCAEHM COC(=O)CCN(C)S(=O)(=O)[N-][C@H](C(=O)OC)c1ccc(OC)cc1 ZINC000486992952 490685206 /nfs/dbraw/zinc/68/52/06/490685206.db2.gz BDRBVVDWOSZCNV-AWEZNQCLSA-N -1 3 374.415 0.239 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)Nc2nccn2CC(C)C)cn1C ZINC000512558396 490688112 /nfs/dbraw/zinc/68/81/12/490688112.db2.gz FFVPAZXZZITFKA-UHFFFAOYSA-N -1 3 354.436 0.498 10 0 FCAEHM CCOC(=O)CCN(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000502254136 490691114 /nfs/dbraw/zinc/69/11/14/490691114.db2.gz AICGRDSJTIJGSW-NSHDSACASA-N -1 3 360.407 0.904 10 0 FCAEHM Cc1cc(COCC(=O)NCc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)on1 ZINC000512679767 490692618 /nfs/dbraw/zinc/69/26/18/490692618.db2.gz AHQSHOIPJLUVPM-GOSISDBHSA-N -1 3 372.381 0.871 10 0 FCAEHM COC(=O)CCCCNC(=O)N1CCC[C@@H]1C[C@@]1(C)NC(=O)[N-]C1=O ZINC000487245769 490701958 /nfs/dbraw/zinc/70/19/58/490701958.db2.gz YQXHQKSQYOSTFY-BDJLRTHQSA-N -1 3 354.407 0.492 10 0 FCAEHM O=C(Cn1cnnn1)N1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000527158241 490705348 /nfs/dbraw/zinc/70/53/48/490705348.db2.gz CVBZQVREPOEFCG-UHFFFAOYSA-N -1 3 366.381 0.517 10 0 FCAEHM CC(=O)Nc1cccc(NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)c1 ZINC000502481992 490706833 /nfs/dbraw/zinc/70/68/33/490706833.db2.gz SAJVNZHRNKXRTK-UHFFFAOYSA-N -1 3 351.388 0.296 10 0 FCAEHM CN(CC1(CO)CC1)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1CC1 ZINC000527326765 490717377 /nfs/dbraw/zinc/71/73/77/490717377.db2.gz VJBIGVIBYXFCNA-UHFFFAOYSA-N -1 3 374.484 0.520 10 0 FCAEHM COCc1nc([C@@H]2COCCN2C(=O)c2cc(F)cc3[n-]nnc32)no1 ZINC000502825741 490723158 /nfs/dbraw/zinc/72/31/58/490723158.db2.gz RDTIUCISIDXZIO-NSHDSACASA-N -1 3 362.321 0.840 10 0 FCAEHM COCc1nc([C@@H]2COCCN2C(=O)c2cc(F)cc3nn[n-]c32)no1 ZINC000502825741 490723159 /nfs/dbraw/zinc/72/31/59/490723159.db2.gz RDTIUCISIDXZIO-NSHDSACASA-N -1 3 362.321 0.840 10 0 FCAEHM COCc1nc([C@@H]2COCCN2C(=O)c2cc(F)cc3n[n-]nc32)no1 ZINC000502825741 490723160 /nfs/dbraw/zinc/72/31/60/490723160.db2.gz RDTIUCISIDXZIO-NSHDSACASA-N -1 3 362.321 0.840 10 0 FCAEHM Cc1ccc(NC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)cc1S(C)(=O)=O ZINC000538714376 490746808 /nfs/dbraw/zinc/74/68/08/490746808.db2.gz LREATZZEFQDDSX-NSHDSACASA-N -1 3 366.399 0.166 10 0 FCAEHM Cn1cc(C(N)=O)cc1C(=O)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000538813262 490750760 /nfs/dbraw/zinc/75/07/60/490750760.db2.gz JHUBUXNUDVBOKJ-LBPRGKRZSA-N -1 3 355.354 0.127 10 0 FCAEHM CN1C2(CCC2)COC[C@]1(CO)C[N-]S(=O)(=O)c1ccccc1F ZINC000528479687 490801346 /nfs/dbraw/zinc/80/13/46/490801346.db2.gz CBOMYGDUGOZEJJ-MRXNPFEDSA-N -1 3 358.435 0.720 10 0 FCAEHM Cc1ncc(S(=O)(=O)[N-]C[C@@]2(CO)COCC3(CCC3)N2C)s1 ZINC000528481619 490801798 /nfs/dbraw/zinc/80/17/98/490801798.db2.gz QRRQLJCALIEZDR-CQSZACIVSA-N -1 3 361.489 0.346 10 0 FCAEHM COc1ccc(CN2CC[C@@H]2C[N-]S(=O)(=O)c2ccn(C)n2)cc1 ZINC000528501439 490804927 /nfs/dbraw/zinc/80/49/27/490804927.db2.gz MCXHFBDSNCHRCX-CQSZACIVSA-N -1 3 350.444 0.982 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCCC[C@@H]2C(F)F)cn1C ZINC000505424698 490829052 /nfs/dbraw/zinc/82/90/52/490829052.db2.gz DQPLUDFSEYXMOU-SNVBAGLBSA-N -1 3 350.391 0.653 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)c2ccc3c(c2)N(C)C(=O)CO3)nc1=N ZINC000529264635 490846730 /nfs/dbraw/zinc/84/67/30/490846730.db2.gz BVJYVVVPSXTKFU-LLVKDONJSA-N -1 3 356.386 0.560 10 0 FCAEHM CC(C)[C@H]1CN(Cc2ccccc2)CCN1C(=O)CN1CC(=O)[N-]C1=O ZINC000529703704 490865729 /nfs/dbraw/zinc/86/57/29/490865729.db2.gz XRLJKNXVBFGUQB-MRXNPFEDSA-N -1 3 358.442 0.907 10 0 FCAEHM CC[C@H]([N-]S(=O)(=O)CCC(C)(C)S(C)(=O)=O)[C@H](O)C(F)F ZINC000565233961 491362522 /nfs/dbraw/zinc/36/25/22/491362522.db2.gz BCHFTAWJYJGBNN-IUCAKERBSA-N -1 3 351.437 0.524 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CC(Cc3ccco3)C2)cn1C ZINC000529860074 490879483 /nfs/dbraw/zinc/87/94/83/490879483.db2.gz PRQYCMSRZZMFLQ-UHFFFAOYSA-N -1 3 352.416 0.301 10 0 FCAEHM C[C@@H]1CCN(CC(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000565203989 491360145 /nfs/dbraw/zinc/36/01/45/491360145.db2.gz KZUVBYZIYGUNBU-LLVKDONJSA-N -1 3 361.414 0.701 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c(F)c1 ZINC000530482558 490907917 /nfs/dbraw/zinc/90/79/17/490907917.db2.gz RGGIBAIYEVLPTM-UFGOTCBOSA-N -1 3 370.402 0.900 10 0 FCAEHM COC[C@@](C)(CC(=O)OC)[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000601365040 491908989 /nfs/dbraw/zinc/90/89/89/491908989.db2.gz QFQHRRCLDYJQRS-LLVKDONJSA-N -1 3 373.353 0.685 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]CC2CCN(S(=O)(=O)CC)CC2)c1 ZINC000543668506 490940304 /nfs/dbraw/zinc/94/03/04/490940304.db2.gz UHPAXMZZSMPBED-UHFFFAOYSA-N -1 3 364.493 0.243 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]Cc2cccc(NC(=O)COC)c2)c1 ZINC000531094467 490940461 /nfs/dbraw/zinc/94/04/61/490940461.db2.gz RHRVQFRBBGKKCA-UHFFFAOYSA-N -1 3 352.416 0.966 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NC[C@@H]1CCCS1(=O)=O ZINC000518461649 490942202 /nfs/dbraw/zinc/94/22/02/490942202.db2.gz AEDBWBZYQDKMSQ-JTQLQIEISA-N -1 3 364.427 0.858 10 0 FCAEHM CCOCCOCC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-] ZINC000519478895 490973039 /nfs/dbraw/zinc/97/30/39/490973039.db2.gz AKPLLFHNTIRECF-UHFFFAOYSA-N -1 3 358.416 0.924 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N[C@@H](c2cnn(C)c2)C(C)(C)C)c1 ZINC000531778025 490973664 /nfs/dbraw/zinc/97/36/64/490973664.db2.gz CBYVBZBGQJHHFM-AWEZNQCLSA-N -1 3 368.463 0.336 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N(C[C@H]2CCCO2)C2CCCC2)c1 ZINC000532298806 490990534 /nfs/dbraw/zinc/99/05/34/490990534.db2.gz PELHIMQLEYBDLQ-CQSZACIVSA-N -1 3 370.475 0.649 10 0 FCAEHM CS(=O)(=O)CC[C@@H]1CCCCN1C(=O)CNC(=O)c1cccc([O-])c1 ZINC000557423398 491373911 /nfs/dbraw/zinc/37/39/11/491373911.db2.gz VRRGBXGTJFYEPT-AWEZNQCLSA-N -1 3 368.455 0.938 10 0 FCAEHM C[C@H](NC(=O)CNC(=O)c1cccnc1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673507992 493337519 /nfs/dbraw/zinc/33/75/19/493337519.db2.gz FFRZIBDRINGIAD-RYUDHWBXSA-N -1 3 371.397 0.692 10 0 FCAEHM Cn1nccc1[C@@H](CO)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000565432369 491376199 /nfs/dbraw/zinc/37/61/99/491376199.db2.gz MSTFMFPXCZPXFS-SECBINFHSA-N -1 3 350.322 0.846 10 0 FCAEHM COc1ccc(OC)c(NC(=O)C(=O)N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)c1 ZINC000565719732 491395179 /nfs/dbraw/zinc/39/51/79/491395179.db2.gz MJTDZYXRBLPOQA-GFCCVEGCSA-N -1 3 374.401 0.547 10 0 FCAEHM CC[C@H]1CCN1C(=O)C[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000558161995 491417525 /nfs/dbraw/zinc/41/75/25/491417525.db2.gz DJXZYAZHRFGCNN-NSHDSACASA-N -1 3 359.473 0.673 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@@H](C)CCS(C)(=O)=O ZINC000558437291 491430820 /nfs/dbraw/zinc/43/08/20/491430820.db2.gz ZLXHEFYFYHEZMP-QMMMGPOBSA-N -1 3 367.445 0.785 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2[C@@H]3COC[C@@H]32)cc1F ZINC000573418761 491432037 /nfs/dbraw/zinc/43/20/37/491432037.db2.gz XVJQIZKOAZILIV-IWIIMEHWSA-N -1 3 364.420 0.510 10 0 FCAEHM COC(C)(C)C(=O)Cn1cc(I)c(=O)[n-]c1=O ZINC000566499077 491448873 /nfs/dbraw/zinc/44/88/73/491448873.db2.gz UODBSBIXJRFELS-UHFFFAOYSA-N -1 3 352.128 0.548 10 0 FCAEHM Cc1ccc(C(=O)N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)cc1S(C)(=O)=O ZINC000559258204 491458823 /nfs/dbraw/zinc/45/88/23/491458823.db2.gz PJFBYSFKUAQKHK-GFCCVEGCSA-N -1 3 363.443 0.917 10 0 FCAEHM CSc1ccc([C@@H](CNC(=O)CN2CC(=O)[N-]C2=O)N(C)C)cc1 ZINC000567078811 491484801 /nfs/dbraw/zinc/48/48/01/491484801.db2.gz POMJBDXBDOEVCG-CYBMUJFWSA-N -1 3 350.444 0.679 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)C[C@@H](NC(N)=O)c2ccccc2)nc1=N ZINC000574284761 491486609 /nfs/dbraw/zinc/48/66/09/491486609.db2.gz WFNKUGNCLRGFMR-CHWSQXEVSA-N -1 3 357.418 0.691 10 0 FCAEHM CN(C)S(=O)(=O)c1ccc(CN2CCC[C@H]2c2nc(=N)n(C)[n-]2)s1 ZINC000575118325 491540193 /nfs/dbraw/zinc/54/01/93/491540193.db2.gz PFPZKPQRZWDTBN-NSHDSACASA-N -1 3 370.504 0.877 10 0 FCAEHM Cc1ccc(CNC(=O)NCC(=O)N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)cc1 ZINC000568316583 491569413 /nfs/dbraw/zinc/56/94/13/491569413.db2.gz HQSULTFWQSIQNM-CQSZACIVSA-N -1 3 371.445 0.699 10 0 FCAEHM CNS(=O)(=O)c1ccc(CN2CCC[C@@H]2c2nc(=N)n(C)[n-]2)cc1 ZINC000660468582 493353665 /nfs/dbraw/zinc/35/36/65/493353665.db2.gz FZYPIRUWESOJGH-CYBMUJFWSA-N -1 3 350.448 0.473 10 0 FCAEHM CN(C)c1nc(CN(C)[C@@H]2CCN(c3ncnc4n[nH]cc43)C2)cc(=O)[n-]1 ZINC000568666911 491598494 /nfs/dbraw/zinc/59/84/94/491598494.db2.gz BKERQBWXTZKOMO-GFCCVEGCSA-N -1 3 369.433 0.625 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccccc2F)[C@H](C)O)cn1 ZINC000576353905 491607789 /nfs/dbraw/zinc/60/77/89/491607789.db2.gz JVOVAYSXPDOSAL-ZUZCIYMTSA-N -1 3 367.402 0.981 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H]2CNCCC2(F)F)s1 ZINC000577279675 491608917 /nfs/dbraw/zinc/60/89/17/491608917.db2.gz DWPNPJVBIHCBLF-SNVBAGLBSA-N -1 3 353.416 0.660 10 0 FCAEHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cnn3c2OCCC3)[C@@H]1n1cccn1 ZINC000577366407 491615976 /nfs/dbraw/zinc/61/59/76/491615976.db2.gz GCZBZYCIUCPPBC-SCRDCRAPSA-N -1 3 367.431 0.559 10 0 FCAEHM O=C1[N-]C(=O)[C@@]2(CCCN(c3ncnc4c3cnn4-c3ccccc3)C2)N1 ZINC000568949117 491621532 /nfs/dbraw/zinc/62/15/32/491621532.db2.gz IQIWKLQSKFOJLC-SFHVURJKSA-N -1 3 363.381 0.994 10 0 FCAEHM Cn1cc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c(=O)n(C)c1=O ZINC000576531165 491622780 /nfs/dbraw/zinc/62/27/80/491622780.db2.gz URHNKWDRQBAUFT-CYBMUJFWSA-N -1 3 372.381 0.033 10 0 FCAEHM O=C(Nc1cc(-c2ccccc2F)on1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000577453533 491622828 /nfs/dbraw/zinc/62/28/28/491622828.db2.gz MTTVCQRDSWXNTF-LLVKDONJSA-N -1 3 359.317 1.249 10 0 FCAEHM O=C(NC[C@H]1CSc2ccccc2O1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000568980301 491623800 /nfs/dbraw/zinc/62/38/00/491623800.db2.gz GONDLTXCEDEKDA-QWRGUYRKSA-N -1 3 362.411 0.485 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)c2cc(N3CCOCC3)ccn2)nc1=N ZINC000561679713 491624604 /nfs/dbraw/zinc/62/46/04/491624604.db2.gz MZNSYQVJPZJUCZ-CQSZACIVSA-N -1 3 357.418 0.437 10 0 FCAEHM O=C(c1cccc([O-])c1)N1CCN(S(=O)(=O)c2cscn2)CC1 ZINC000576579658 491626803 /nfs/dbraw/zinc/62/68/03/491626803.db2.gz ICGIAKBNPJZXPR-UHFFFAOYSA-N -1 3 353.425 0.995 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)NCCc2cc(C)no2)s1 ZINC000561952936 491642160 /nfs/dbraw/zinc/64/21/60/491642160.db2.gz XUTPUOLLPYFBFO-UHFFFAOYSA-N -1 3 358.445 0.995 10 0 FCAEHM CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000578132440 491670588 /nfs/dbraw/zinc/67/05/88/491670588.db2.gz FLIKHCCKCBLIDJ-ZNMIVQPWSA-N -1 3 353.463 0.936 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H](N)CCC(=O)OC)cc1OC ZINC000578892917 491686665 /nfs/dbraw/zinc/68/66/65/491686665.db2.gz BNBBOYWLMLXPRL-NSHDSACASA-N -1 3 373.431 0.676 10 0 FCAEHM C[C@@H](Sc1nnnn1C1CC1)C(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1 ZINC000579527973 491699854 /nfs/dbraw/zinc/69/98/54/491699854.db2.gz UQUYQHKBRLZNTO-PSASIEDQSA-N -1 3 363.451 0.393 10 0 FCAEHM COCC[C@H](COC)NC(=O)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1 ZINC000579778304 491705217 /nfs/dbraw/zinc/70/52/17/491705217.db2.gz NWXBOFNSOFYSAX-ZIAGYGMSSA-N -1 3 364.402 0.610 10 0 FCAEHM O=C(N1CCC(c2n[nH]c(=O)[n-]2)CC1)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000579962532 491711495 /nfs/dbraw/zinc/71/14/95/491711495.db2.gz JCCUFACIWKVHKU-IBGZPJMESA-N -1 3 371.441 0.853 10 0 FCAEHM CC[C@@H]([N-]S(=O)(=O)Cc1cccc(S(C)(=O)=O)c1)[C@H](O)C(F)F ZINC000580096808 491717405 /nfs/dbraw/zinc/71/74/05/491717405.db2.gz QDIKIGMFRCYPFV-NEPJUHHUSA-N -1 3 371.427 0.914 10 0 FCAEHM CCN(CC)C(=O)CN1CCC([N-]S(=O)(=O)c2cscn2)CC1 ZINC000580094903 491717421 /nfs/dbraw/zinc/71/74/21/491717421.db2.gz ACKCSNXTKNTMBP-UHFFFAOYSA-N -1 3 360.505 0.754 10 0 FCAEHM C[C@H](O)[C@H]([N-]S(=O)(=O)CCCN1CCOCC1)c1ccccc1F ZINC000580199452 491721304 /nfs/dbraw/zinc/72/13/04/491721304.db2.gz LXUOGOBWPFAAII-BBRMVZONSA-N -1 3 360.451 0.889 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@@H]2CCc3ccccc3C2)cn1C ZINC000588633244 491744722 /nfs/dbraw/zinc/74/47/22/491744722.db2.gz CDMGLSZULUDQSG-OAHLLOKOSA-N -1 3 362.455 0.681 10 0 FCAEHM Cc1c(C(=O)N2CCC[C@H]2c2nc(=N)n(C)[n-]2)cccc1S(N)(=O)=O ZINC000580839279 491748212 /nfs/dbraw/zinc/74/82/12/491748212.db2.gz PDYNJNJJSKAUAI-NSHDSACASA-N -1 3 364.431 0.161 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(C(=O)NC3COCCOC3)CC2)n[n-]1 ZINC000589940002 491767672 /nfs/dbraw/zinc/76/76/72/491767672.db2.gz LTUXUSBULBECLU-UHFFFAOYSA-N -1 3 367.406 0.286 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(C(=O)NC3COCCOC3)CC2)[n-]1 ZINC000589940002 491767674 /nfs/dbraw/zinc/76/76/74/491767674.db2.gz LTUXUSBULBECLU-UHFFFAOYSA-N -1 3 367.406 0.286 10 0 FCAEHM CCN(CC)CCS(=O)(=O)[N-][C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000581457785 491773991 /nfs/dbraw/zinc/77/39/91/491773991.db2.gz MHZZDTAXOOSFHE-CYBMUJFWSA-N -1 3 357.480 0.177 10 0 FCAEHM CC(C)c1nc(S(=O)(=O)[N-][C@H]2CCN(C3CCOCC3)C2=O)c[nH]1 ZINC000673824807 493364142 /nfs/dbraw/zinc/36/41/42/493364142.db2.gz CXENACLYIIEDND-LBPRGKRZSA-N -1 3 356.448 0.591 10 0 FCAEHM CC[C@@H]1C[C@H](NS(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)CCO1 ZINC000582838859 491828912 /nfs/dbraw/zinc/82/89/12/491828912.db2.gz UERNAYXRZLVCQU-NXEZZACHSA-N -1 3 368.415 0.270 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]CCCc1ncn(C)n1 ZINC000592069806 491830347 /nfs/dbraw/zinc/83/03/47/491830347.db2.gz SUJFQYJRAWBLGY-UHFFFAOYSA-N -1 3 356.404 0.723 10 0 FCAEHM COC(=O)c1sccc1S(=O)(=O)[N-]CC(C)(C)[C@]1(O)CCOC1 ZINC000592088109 491831283 /nfs/dbraw/zinc/83/12/83/491831283.db2.gz UVVNMMMWLDZQNC-AWEZNQCLSA-N -1 3 363.457 0.991 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)Nc2cnc(C)nc2C2CC2)cn1C ZINC000583509468 491846590 /nfs/dbraw/zinc/84/65/90/491846590.db2.gz OGGYZJLTBITQAK-UHFFFAOYSA-N -1 3 364.431 0.621 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)cn1C ZINC000583547088 491847160 /nfs/dbraw/zinc/84/71/60/491847160.db2.gz IOAMXTPUEDLQBD-FHIRATQRSA-N -1 3 364.471 0.677 10 0 FCAEHM CC(C)(C)c1cc(CS(=O)(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)no1 ZINC000583684286 491849997 /nfs/dbraw/zinc/84/99/97/491849997.db2.gz RIJSUTMEEBALTF-HNNXBMFYSA-N -1 3 370.431 0.476 10 0 FCAEHM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N1CCNC[C@H]1C(F)F ZINC000583995256 491856292 /nfs/dbraw/zinc/85/62/92/491856292.db2.gz AXFIHSRQIZLCMD-NSHDSACASA-N -1 3 364.356 0.556 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CC[C@@H](C)S(=O)(=O)C2)oc1C ZINC000594848618 491866091 /nfs/dbraw/zinc/86/60/91/491866091.db2.gz GTNWTYQJEKNQMN-PSASIEDQSA-N -1 3 365.429 0.619 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CC[C@@H](C)S(=O)(=O)C2)c(C)o1 ZINC000594849649 491866503 /nfs/dbraw/zinc/86/65/03/491866503.db2.gz RBDHPWFEOVBDDC-SCZZXKLOSA-N -1 3 365.429 0.619 10 0 FCAEHM COC(=O)CC1(Cn2cc(I)c(=O)[n-]c2=O)CC1 ZINC000594900851 491871707 /nfs/dbraw/zinc/87/17/07/491871707.db2.gz IHHPPRFLLFGBKH-UHFFFAOYSA-N -1 3 364.139 0.897 10 0 FCAEHM CCOC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)C[C@H]1CNCCO1 ZINC000601339740 491905486 /nfs/dbraw/zinc/90/54/86/491905486.db2.gz GVKHHINFKMLBLS-CABCVRRESA-N -1 3 356.444 0.069 10 0 FCAEHM COC(=O)[C@@]1(NCc2nc(=O)n(C)[n-]2)CCCN(Cc2ccccc2)C1 ZINC000612453172 491919485 /nfs/dbraw/zinc/91/94/85/491919485.db2.gz WDUDKXXTNNQIBC-GOSISDBHSA-N -1 3 359.430 0.406 10 0 FCAEHM CCOC(=O)[C@H](CC1(OC)CCC1)[N-]S(=O)(=O)CC1(N(C)C)CC1 ZINC000601454977 491921854 /nfs/dbraw/zinc/92/18/54/491921854.db2.gz UQUYMXKOPAVQJU-ZDUSSCGKSA-N -1 3 362.492 0.891 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2[C@@H]2CCN(CC(=O)OC(C)(C)C)C2=O)nc1=N ZINC000595470444 491934268 /nfs/dbraw/zinc/93/42/68/491934268.db2.gz NWVLDIYEGCQMTP-VXGBXAGGSA-N -1 3 364.450 0.307 10 0 FCAEHM COC(=O)CCN1CCC[C@H](N2CCC(c3n[n-]c(=O)o3)CC2)C1=O ZINC000595473271 491934880 /nfs/dbraw/zinc/93/48/80/491934880.db2.gz WBMFWCHVGIMLMK-LBPRGKRZSA-N -1 3 352.391 0.509 10 0 FCAEHM COC(=O)C(C)(C)n1ccc(=NC(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)[nH]1 ZINC000597072194 492014438 /nfs/dbraw/zinc/01/44/38/492014438.db2.gz GCIIOQLWZGEOQC-NSHDSACASA-N -1 3 362.390 0.854 10 0 FCAEHM CN1CCN(c2cc(C(=O)N3CCC[C@@H](c4n[n-]c(=O)o4)C3)ccn2)CC1 ZINC000614388814 492027751 /nfs/dbraw/zinc/02/77/51/492027751.db2.gz IHAMKFWQDSBVIO-CQSZACIVSA-N -1 3 372.429 0.942 10 0 FCAEHM Cn1cc(CCC(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)nn1 ZINC000614449341 492030504 /nfs/dbraw/zinc/03/05/04/492030504.db2.gz DJGPJTTZHHVBIM-UHFFFAOYSA-N -1 3 373.385 0.121 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCOC[C@H]1CCCO1 ZINC000604345689 492057365 /nfs/dbraw/zinc/05/73/65/492057365.db2.gz KFHYZBKCGIPQAG-QWHCGFSZSA-N -1 3 374.434 0.804 10 0 FCAEHM COC(=O)[C@](C)(NC(=O)CC[C@@H]1NC(=O)[N-]C1=O)c1ccc(F)cc1 ZINC000597688147 492059561 /nfs/dbraw/zinc/05/95/61/492059561.db2.gz TZNRGJMPPGPNIV-MEDUHNTESA-N -1 3 351.334 0.318 10 0 FCAEHM COC(=O)[C@](C)(NC(=O)CC[C@H]1NC(=O)[N-]C1=O)c1ccc(F)cc1 ZINC000597688145 492059746 /nfs/dbraw/zinc/05/97/46/492059746.db2.gz TZNRGJMPPGPNIV-BDJLRTHQSA-N -1 3 351.334 0.318 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)CN3CCN(C4CC4)C3=O)cc2n(C)c1=O ZINC000615063038 492070569 /nfs/dbraw/zinc/07/05/69/492070569.db2.gz FBRINIJHJIAWQO-UHFFFAOYSA-N -1 3 359.386 0.421 10 0 FCAEHM COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)C[C@@H]1NC(=O)[N-]C1=O)CCC2 ZINC000598105970 492083377 /nfs/dbraw/zinc/08/33/77/492083377.db2.gz HKVFQLOJLXSTBL-OCCSQVGLSA-N -1 3 359.382 0.607 10 0 FCAEHM COC(=O)[C@@H]1CCN(C(=O)CC[C@@H]2NC(=O)[N-]C2=O)[C@@H]2CCCC[C@@H]12 ZINC000598165056 492086939 /nfs/dbraw/zinc/08/69/39/492086939.db2.gz BQOXBIFKTYDYMF-QNWHQSFQSA-N -1 3 351.403 0.555 10 0 FCAEHM O=C(c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)N1CC(O)(CO)C1 ZINC000615427248 492090015 /nfs/dbraw/zinc/09/00/15/492090015.db2.gz UCCJTIGSJZRVFZ-UHFFFAOYSA-N -1 3 369.374 0.134 10 0 FCAEHM COC(=O)C(C)(C)n1ccc(NC(=O)CNC(=O)c2cccc([O-])c2)n1 ZINC000598258054 492091162 /nfs/dbraw/zinc/09/11/62/492091162.db2.gz ASDLIOZAMOFHFM-UHFFFAOYSA-N -1 3 360.370 0.865 10 0 FCAEHM CCCC(=O)N1CCCC[C@@H]1C(=O)NCc1nnc(C(=O)OCC)[n-]1 ZINC000615919651 492107877 /nfs/dbraw/zinc/10/78/77/492107877.db2.gz IJNUVHDEEWWPAW-LLVKDONJSA-N -1 3 351.407 0.779 10 0 FCAEHM COC(=O)[C@@H]1CCN(Cc2cc(=O)n3nc(N)[n-]c3n2)[C@H]2CCCC[C@H]12 ZINC000598627430 492110246 /nfs/dbraw/zinc/11/02/46/492110246.db2.gz SKTDXWMPJWJCDI-UPJWGTAASA-N -1 3 360.418 0.384 10 0 FCAEHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@@H]2CCC(=O)N(C)C2)s1 ZINC000606463798 492123430 /nfs/dbraw/zinc/12/34/30/492123430.db2.gz UPWAEPVQOLGBGV-MWLCHTKSSA-N -1 3 359.473 0.844 10 0 FCAEHM COC(=O)C(C)(C)CS(=O)(=O)[N-][C@H]1c2ccccc2CN(C)C1=O ZINC000598938009 492126001 /nfs/dbraw/zinc/12/60/01/492126001.db2.gz BNTFHYZPOINUQU-ZDUSSCGKSA-N -1 3 354.428 0.818 10 0 FCAEHM C[C@]1(c2cccc(NC(=O)C3C[C@@H]4COC[C@H](C3)C4=O)c2)NC(=O)[N-]C1=O ZINC000606770069 492129318 /nfs/dbraw/zinc/12/93/18/492129318.db2.gz MVBRZAWSUYAYEY-KGNZARFDSA-N -1 3 371.393 0.921 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H](C)CS(=O)(=O)CC)on1 ZINC000599266174 492151634 /nfs/dbraw/zinc/15/16/34/492151634.db2.gz RYOASISPIUNOFX-VIFPVBQESA-N -1 3 368.433 0.094 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]Cc2ccnc(OC)c2)on1 ZINC000599220420 492144439 /nfs/dbraw/zinc/14/44/39/492144439.db2.gz KIKONFOZVPYBPY-UHFFFAOYSA-N -1 3 355.372 0.875 10 0 FCAEHM COC(=O)[C@@]1([N-]S(=O)(=O)c2cnnn2-c2ccccc2)CCSC1 ZINC000599265896 492151548 /nfs/dbraw/zinc/15/15/48/492151548.db2.gz LLBGODVEZBCVCU-CQSZACIVSA-N -1 3 368.440 0.594 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]Cc2cccc(N(C)C)n2)on1 ZINC000599267320 492151637 /nfs/dbraw/zinc/15/16/37/492151637.db2.gz ZSIQJULLJMDDPY-UHFFFAOYSA-N -1 3 368.415 0.932 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@H]2CCOC[C@@H]2OCC)on1 ZINC000599281919 492154106 /nfs/dbraw/zinc/15/41/06/492154106.db2.gz WYEVGMXEAJREGA-AAEUAGOBSA-N -1 3 362.404 0.465 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)NC[C@H](C)c2ccccn2)cn1C ZINC000617078676 492154554 /nfs/dbraw/zinc/15/45/54/492154554.db2.gz GMYVYQAJVURRTD-LBPRGKRZSA-N -1 3 365.459 0.712 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]C[C@@H](C)N2CCCCC2=O)on1 ZINC000599295248 492156239 /nfs/dbraw/zinc/15/62/39/492156239.db2.gz ZWTZLHURDMCTDO-LLVKDONJSA-N -1 3 373.431 0.672 10 0 FCAEHM CO[C@H](CNC(=O)CCn1[n-]c(=O)c2ccccc2c1=O)[C@H]1CCOC1 ZINC000617151522 492157218 /nfs/dbraw/zinc/15/72/18/492157218.db2.gz ZWPCFVXWMMMNLP-SWLSCSKDSA-N -1 3 361.398 0.660 10 0 FCAEHM CO[C@@H](CNC(=O)C[N-]S(=O)(=O)c1ccccc1F)[C@H]1CCOC1 ZINC000617153029 492157832 /nfs/dbraw/zinc/15/78/32/492157832.db2.gz OZNPRDFXYXQROI-AAEUAGOBSA-N -1 3 360.407 0.272 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]Cc2cnccc2OC)on1 ZINC000599316574 492159210 /nfs/dbraw/zinc/15/92/10/492159210.db2.gz CVZQVEPCGMNGGI-UHFFFAOYSA-N -1 3 355.372 0.875 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H]2C[C@@H]3CCCCN3C2=O)on1 ZINC000599323120 492160320 /nfs/dbraw/zinc/16/03/20/492160320.db2.gz FGISWCTVKQQWOA-CMPLNLGQSA-N -1 3 371.415 0.424 10 0 FCAEHM COC[C@@H](CCNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)OC ZINC000617233118 492160683 /nfs/dbraw/zinc/16/06/83/492160683.db2.gz OQVBRODOXYIQAO-SECBINFHSA-N -1 3 370.880 0.848 10 0 FCAEHM COC(=O)[C@@H](CCF)[N-]S(=O)(=O)c1cccnc1OCC(F)F ZINC000599338036 492162313 /nfs/dbraw/zinc/16/23/13/492162313.db2.gz AADKTMAJBAMGRF-MRVPVSSYSA-N -1 3 356.322 0.905 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]Cc2ccoc2C(=O)OC)on1 ZINC000599347506 492163222 /nfs/dbraw/zinc/16/32/22/492163222.db2.gz SOOOTHAPMUGMER-UHFFFAOYSA-N -1 3 372.355 0.851 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2c(C(=O)N[C@@H](CO)C3CCC3)cc(C3CC3)nc21 ZINC000617300789 492163713 /nfs/dbraw/zinc/16/37/13/492163713.db2.gz HASVTOLVEODBLT-ZDUSSCGKSA-N -1 3 358.398 0.802 10 0 FCAEHM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](O)[C@@H]2CCCO2)c(F)c1 ZINC000599392382 492167178 /nfs/dbraw/zinc/16/71/78/492167178.db2.gz SEMHBZANAPQNTG-STQMWFEESA-N -1 3 361.391 0.821 10 0 FCAEHM C[C@@H]1C[C@H](NC(=O)c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)c2ncnn21 ZINC000617440034 492168613 /nfs/dbraw/zinc/16/86/13/492168613.db2.gz MCXIIOPNOXJNQF-ZPQPFTAQSA-N -1 3 354.370 0.769 10 0 FCAEHM COC(=O)[C@@H](Cc1cccc(OC)c1)[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000599404875 492169086 /nfs/dbraw/zinc/16/90/86/492169086.db2.gz POBCSMJSHRMIIA-CQSZACIVSA-N -1 3 367.427 0.800 10 0 FCAEHM COC(=O)[C@H](Cc1cccc(OC)c1)[N-]S(=O)(=O)N1CC[C@H](C)C1 ZINC000599404918 492169157 /nfs/dbraw/zinc/16/91/57/492169157.db2.gz QXCNKINGFZULNG-WFASDCNBSA-N -1 3 356.444 0.956 10 0 FCAEHM CCN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-])[C@H]1CCN(C)C1 ZINC000617552739 492176023 /nfs/dbraw/zinc/17/60/23/492176023.db2.gz UMXABBPFLVUZBN-LBPRGKRZSA-N -1 3 355.460 0.809 10 0 FCAEHM COC(=O)CCNC(=O)CC[N-]S(=O)(=O)c1cccc(OC)c1F ZINC000599476754 492178298 /nfs/dbraw/zinc/17/82/98/492178298.db2.gz JJWJZEWENCNKPI-UHFFFAOYSA-N -1 3 362.379 0.182 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2c(C(=O)N3C[C@H]4CC[C@@H](C3)O4)cc(C3CC3)nc21 ZINC000608591184 492181328 /nfs/dbraw/zinc/18/13/28/492181328.db2.gz WEYDSKKCIQTGRW-PHIMTYICSA-N -1 3 356.382 0.915 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-][C@@H]2CCN(C3CCC3)C2=O)CCCC1 ZINC000599523782 492183554 /nfs/dbraw/zinc/18/35/54/492183554.db2.gz GGFARSQLXUTFMB-CYBMUJFWSA-N -1 3 358.460 0.793 10 0 FCAEHM CO[C@]1(CO)CCCN(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)C1 ZINC000617796404 492192238 /nfs/dbraw/zinc/19/22/38/492192238.db2.gz TTXWGXBLSIDNOG-OAHLLOKOSA-N -1 3 360.407 0.811 10 0 FCAEHM CO[C@]1(CO)CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000617801813 492192415 /nfs/dbraw/zinc/19/24/15/492192415.db2.gz WYLOGYYACALKMQ-DNVCBOLYSA-N -1 3 362.426 0.997 10 0 FCAEHM CO[C@]1(CO)CCCN(C(=O)CCNC(=O)c2ccc(C)cc2[O-])C1 ZINC000617801908 492192427 /nfs/dbraw/zinc/19/24/27/492192427.db2.gz ZGNZSIRWPGHFNK-GOSISDBHSA-N -1 3 350.415 0.820 10 0 FCAEHM C[C@]1(c2ccc(C(=O)N3CC[C@H](O)C(F)(F)C3)cc2)NC(=O)[N-]C1=O ZINC000617810642 492193233 /nfs/dbraw/zinc/19/32/33/492193233.db2.gz LXJZIQILEKXYDI-XHDPSFHLSA-N -1 3 353.325 0.583 10 0 FCAEHM C[C@@H]1CC[C@H](NC(=O)C[N-]S(=O)(=O)c2cccs2)CS1(=O)=O ZINC000618315376 492223511 /nfs/dbraw/zinc/22/35/11/492223511.db2.gz SWXIYEQOKSTMDG-ZJUUUORDSA-N -1 3 366.486 0.108 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCc2nccc(OC)c2F)c(C)o1 ZINC000618640466 492232870 /nfs/dbraw/zinc/23/28/70/492232870.db2.gz AMQAXTKPCUIXGF-UHFFFAOYSA-N -1 3 357.363 0.969 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H]1C[C@@H](O)C12CCC2 ZINC000619082500 492249486 /nfs/dbraw/zinc/24/94/86/492249486.db2.gz SXLSDBOYWLSUIP-ZLKJLUDKSA-N -1 3 356.419 0.912 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000600485356 492274169 /nfs/dbraw/zinc/27/41/69/492274169.db2.gz WUSTTZOVVAYOLK-NNUHMIRASA-N -1 3 362.498 0.538 10 0 FCAEHM C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)C[C@@H]1C(=O)[O-] ZINC000647501899 492298586 /nfs/dbraw/zinc/29/85/86/492298586.db2.gz BZLZEQGCLYYMHV-KFWWJZLASA-N -1 3 351.447 0.642 10 0 FCAEHM O=C(N[C@H](Cc1ccccc1)c1ncco1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000654753071 492347108 /nfs/dbraw/zinc/34/71/08/492347108.db2.gz WYLGHPNCXOCSRQ-ZIAGYGMSSA-N -1 3 369.381 0.904 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@@H](c2ccccc2)[C@H](C)O)cn1C ZINC000620986401 492349140 /nfs/dbraw/zinc/34/91/40/492349140.db2.gz DSCYFQCVTIQQPP-MEDUHNTESA-N -1 3 366.443 0.245 10 0 FCAEHM CSc1nc(C)c(CCC(=O)N2CC(CN3CCOCC3)C2)c(=O)[n-]1 ZINC000647806505 492364138 /nfs/dbraw/zinc/36/41/38/492364138.db2.gz KMEXNJYYUKNDBN-UHFFFAOYSA-N -1 3 366.487 0.936 10 0 FCAEHM C[C@H]1CN(Cc2cc(=O)n3nc(N)[n-]c3n2)C[C@H](c2ccc(F)cc2)O1 ZINC000621259557 492365232 /nfs/dbraw/zinc/36/52/32/492365232.db2.gz ZUJWCBGGSZCTCS-IINYFYTJSA-N -1 3 358.377 0.931 10 0 FCAEHM CC[C@H]1CN(c2ccccc2)CCN1Cc1cc(=O)n2nc(N)[n-]c2n1 ZINC000621278984 492368383 /nfs/dbraw/zinc/36/83/83/492368383.db2.gz DVSXGFKRHHNPBY-AWEZNQCLSA-N -1 3 353.430 0.931 10 0 FCAEHM CC[C@@H]1CN(c2ccccc2)CCN1Cc1cc(=O)n2nc(N)[n-]c2n1 ZINC000621278985 492368890 /nfs/dbraw/zinc/36/88/90/492368890.db2.gz DVSXGFKRHHNPBY-CQSZACIVSA-N -1 3 353.430 0.931 10 0 FCAEHM CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC[C@H]1CC1(F)F ZINC000621304969 492372473 /nfs/dbraw/zinc/37/24/73/492372473.db2.gz MLINERUUTQAPQV-VIFPVBQESA-N -1 3 354.400 0.918 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-][C@H]2CS(=O)(=O)Cc3ccccc32)cn1C ZINC000621307345 492372947 /nfs/dbraw/zinc/37/29/47/492372947.db2.gz SHXHVPOIZWDBLC-ZDUSSCGKSA-N -1 3 355.441 0.677 10 0 FCAEHM CO[C@H]1CC[C@@H](C(=O)NCC(=O)Nc2cccc3c(=O)[nH][n-]c(=O)c23)C1 ZINC000621730290 492407073 /nfs/dbraw/zinc/40/70/73/492407073.db2.gz HICSZMIYJYNUIE-ZJUUUORDSA-N -1 3 360.370 0.911 10 0 FCAEHM CO[C@H]1CC[C@@H](C(=O)NCC(=O)Nc2cccc3c(=O)[n-][nH]c(=O)c23)C1 ZINC000621730290 492407076 /nfs/dbraw/zinc/40/70/76/492407076.db2.gz HICSZMIYJYNUIE-ZJUUUORDSA-N -1 3 360.370 0.911 10 0 FCAEHM CO[C@](C)(CO)CNC(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2C ZINC000655208246 492413528 /nfs/dbraw/zinc/41/35/28/492413528.db2.gz KPUGVUATZOYLNO-KRWDZBQOSA-N -1 3 362.386 0.039 10 0 FCAEHM Cn1ncnc1CCCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000627896795 492415577 /nfs/dbraw/zinc/41/55/77/492415577.db2.gz SDUPGIISCDOVAY-AWEZNQCLSA-N -1 3 357.414 0.874 10 0 FCAEHM Cn1ncnc1CCCNC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000627898241 492416307 /nfs/dbraw/zinc/41/63/07/492416307.db2.gz WORFMPUCAMCJGC-QGZVFWFLSA-N -1 3 356.386 0.232 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)NC[C@@H]2CCC3(CCCC3)O2)cn1C ZINC000655367714 492438648 /nfs/dbraw/zinc/43/86/48/492438648.db2.gz IRAKFEMBARFMED-ZDUSSCGKSA-N -1 3 370.475 0.615 10 0 FCAEHM COc1ccc2c(c1)[n-]cc(C(=O)N1CC(CN3CCOCC3)C1)c2=O ZINC000622062967 492450234 /nfs/dbraw/zinc/45/02/34/492450234.db2.gz YLCFTKBIYJGADU-UHFFFAOYSA-N -1 3 357.410 0.941 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@@H](C[C@@H]2CCCO2)C(F)(F)F)cc1C(N)=O ZINC000655661098 492474317 /nfs/dbraw/zinc/47/43/17/492474317.db2.gz AVWZNRWXTQSEET-KWQFWETISA-N -1 3 369.365 0.902 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)NC[C@@H](C)CC(F)F)cn1C ZINC000648962335 492480986 /nfs/dbraw/zinc/48/09/86/492480986.db2.gz WQVGMRNTDNNSGS-VIFPVBQESA-N -1 3 352.407 0.804 10 0 FCAEHM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655880278 492482636 /nfs/dbraw/zinc/48/26/36/492482636.db2.gz VJVNGJKOTOUCDI-IXDOHACOSA-N -1 3 361.442 0.923 10 0 FCAEHM CC(C)(CNC(=O)C[N-]S(=O)(=O)c1ccccc1F)[C@@]1(O)CCOC1 ZINC000649098066 492499790 /nfs/dbraw/zinc/49/97/90/492499790.db2.gz UXSHTXSOHKRMGU-MRXNPFEDSA-N -1 3 374.434 0.398 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N[C@H]2C[C@@H](OC(C)(C)C)C2)cn1C ZINC000649099070 492499880 /nfs/dbraw/zinc/49/98/80/492499880.db2.gz HFONQKQOTOGYAT-BETUJISGSA-N -1 3 372.491 0.859 10 0 FCAEHM CC(C)[C@H]1N(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)CC12CC=CC2 ZINC000649141273 492504563 /nfs/dbraw/zinc/50/45/63/492504563.db2.gz HERJKHOEYQLGCK-OAHLLOKOSA-N -1 3 352.460 0.902 10 0 FCAEHM CC(C)C[C@H](CNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12)C(=O)[O-] ZINC000655997702 492509504 /nfs/dbraw/zinc/50/95/04/492509504.db2.gz IYXAXYYIOKGLHX-QLFBSQMISA-N -1 3 353.463 0.983 10 0 FCAEHM C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C[C@@H]1C(=O)[O-] ZINC000656021068 492519428 /nfs/dbraw/zinc/51/94/28/492519428.db2.gz ZWACMFXRJVLJCB-BARDWOONSA-N -1 3 351.447 0.689 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CCC(=O)CC(C)(C)C2)cn1C ZINC000628686048 492534237 /nfs/dbraw/zinc/53/42/37/492534237.db2.gz HIEHOXXRPHWUIP-UHFFFAOYSA-N -1 3 370.475 0.615 10 0 FCAEHM CCn1c(=O)[n-]c(=O)c2c(C(=O)N[C@H]3C[C@H](C(N)=O)C3)cc(C(C)C)nc21 ZINC000628781282 492546498 /nfs/dbraw/zinc/54/64/98/492546498.db2.gz MFRIXUWBHMUDDA-MGCOHNPYSA-N -1 3 373.413 0.634 10 0 FCAEHM COc1ncc(Br)cc1CNC(=O)CC[C@H]1NC(=O)[N-]C1=O ZINC000628794586 492548190 /nfs/dbraw/zinc/54/81/90/492548190.db2.gz MNAUNBFOXHNWGP-SECBINFHSA-N -1 3 371.191 0.457 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@]2(CO)CCCC(C)(C)C2)cn1C ZINC000628805779 492551936 /nfs/dbraw/zinc/55/19/36/492551936.db2.gz NFMWGGRKLXGNHD-MRXNPFEDSA-N -1 3 372.491 0.454 10 0 FCAEHM CCOC[C@H]1CN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)CCO1 ZINC000628902829 492559328 /nfs/dbraw/zinc/55/93/28/492559328.db2.gz FTJQCVFUZUSLTH-QWHCGFSZSA-N -1 3 374.434 0.756 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000629084020 492577163 /nfs/dbraw/zinc/57/71/63/492577163.db2.gz OWXCEDZRFDTVGS-BLLLJJGKSA-N -1 3 356.419 0.725 10 0 FCAEHM CCOc1nc2cc(C(=O)NC3CN(S(=O)(=O)N(C)C)C3)ccc2[n-]1 ZINC000629530623 492639880 /nfs/dbraw/zinc/63/98/80/492639880.db2.gz LTILXEUNPLQQFS-UHFFFAOYSA-N -1 3 367.431 0.182 10 0 FCAEHM CCOc1nc2ccc(C(=O)NC3CN(S(=O)(=O)N(C)C)C3)cc2[n-]1 ZINC000629530623 492639884 /nfs/dbraw/zinc/63/98/84/492639884.db2.gz LTILXEUNPLQQFS-UHFFFAOYSA-N -1 3 367.431 0.182 10 0 FCAEHM CC[C@@H]1[NH2+]CC[C@H]1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000624393014 492644906 /nfs/dbraw/zinc/64/49/06/492644906.db2.gz HCVTYVOJOGILEC-NWDGAFQWSA-N -1 3 365.452 0.616 10 0 FCAEHM CSc1ccc([O-])c(C(=O)N2CCOC[C@@H]2CNS(C)(=O)=O)c1 ZINC000629566793 492646355 /nfs/dbraw/zinc/64/63/55/492646355.db2.gz HTKNWKUHCXYQIF-JTQLQIEISA-N -1 3 360.457 0.504 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]c1cc(C)nn1-c1ncccn1)[C@@H]1CCOC1 ZINC000656728688 492646420 /nfs/dbraw/zinc/64/64/20/492646420.db2.gz QVOLQJVLRRIBJA-CHWSQXEVSA-N -1 3 367.431 0.764 10 0 FCAEHM COCCOc1ccc([N-]S(=O)(=O)C[C@H](OC)[C@H]2CCOC2)cn1 ZINC000656727952 492646610 /nfs/dbraw/zinc/64/66/10/492646610.db2.gz RBXVTYOVBYUJSE-JSGCOSHPSA-N -1 3 360.432 0.900 10 0 FCAEHM C[C@@H]1[NH2+]CC[C@H]1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000624415310 492648700 /nfs/dbraw/zinc/64/87/00/492648700.db2.gz ANUVGOKCFNYOMQ-GZMMTYOYSA-N -1 3 351.425 0.226 10 0 FCAEHM C[C@@]1(c2ccc(CN3C(=O)N4CC5CC4(C5)C3=O)cc2)NC(=O)[N-]C1=O ZINC000656801423 492649118 /nfs/dbraw/zinc/64/91/18/492649118.db2.gz UTOOFMJQMSQLPM-CEKSDINPSA-N -1 3 354.366 0.668 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]C[C@H]1COc2ccccc2O1)[C@@H]1CCOC1 ZINC000656862111 492653792 /nfs/dbraw/zinc/65/37/92/492653792.db2.gz ZBGPQXDBDRLZOL-DVOMOZLQSA-N -1 3 357.428 0.797 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]Cc1nnnn1-c1ccccc1)[C@@H]1CCOC1 ZINC000656896113 492662210 /nfs/dbraw/zinc/66/22/10/492662210.db2.gz GELVCBWIRDCLBQ-TZMCWYRMSA-N -1 3 367.431 0.133 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@H]1CCN(CC(F)(F)F)C1=O)[C@@H]1CCOC1 ZINC000656901210 492664309 /nfs/dbraw/zinc/66/43/09/492664309.db2.gz MUOLQEBXCAVKRR-OUAUKWLOSA-N -1 3 374.381 0.121 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@@H](C(N)=O)c1ccc(F)cc1)[C@H]1CCOC1 ZINC000656963420 492680514 /nfs/dbraw/zinc/68/05/14/492680514.db2.gz OBBIEOIFSKNVSR-IACUBPJLSA-N -1 3 360.407 0.323 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@H](c1nc[nH]n1)c1ccccc1)[C@H]1CCOC1 ZINC000656966102 492681599 /nfs/dbraw/zinc/68/15/99/492681599.db2.gz ALUIYBUTKPRELY-ZNMIVQPWSA-N -1 3 366.443 0.865 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-][C@@H](C(N)=O)c2ccccc2)CCOCC1 ZINC000624818813 492687850 /nfs/dbraw/zinc/68/78/50/492687850.db2.gz YKHGMJQSRLWYAS-CQSZACIVSA-N -1 3 356.444 0.718 10 0 FCAEHM CNS(=O)(=O)C[C@H]1CCCN(C(=O)c2cc(NC(C)=O)ccc2[O-])C1 ZINC000629891254 492696392 /nfs/dbraw/zinc/69/63/92/492696392.db2.gz QBLWHVBLXYALEJ-LBPRGKRZSA-N -1 3 369.443 0.752 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]CCS(=O)(=O)NC(C)C)c(F)c1F ZINC000624929991 492698049 /nfs/dbraw/zinc/69/80/49/492698049.db2.gz KILDDBXOXZKEFM-UHFFFAOYSA-N -1 3 356.416 0.879 10 0 FCAEHM COC[C@]1(C)CN(C(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)CCO1 ZINC000629901717 492698473 /nfs/dbraw/zinc/69/84/73/492698473.db2.gz SNMOQODNLKZHOM-ROUUACIJSA-N -1 3 361.398 0.619 10 0 FCAEHM COC[C@@]1(C)CN(C(=O)CC[N-]S(=O)(=O)c2ccccc2F)CCO1 ZINC000629908104 492700349 /nfs/dbraw/zinc/70/03/49/492700349.db2.gz AFMPVGBBLBWPAE-MRXNPFEDSA-N -1 3 374.434 0.758 10 0 FCAEHM CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H]2CCNC2=O)s1 ZINC000657029587 492700627 /nfs/dbraw/zinc/70/06/27/492700627.db2.gz CYLQYPDZJHYTIF-LBPRGKRZSA-N -1 3 373.500 0.620 10 0 FCAEHM CO[C@@H](C[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F)[C@@H]1CCOC1 ZINC000657043137 492702531 /nfs/dbraw/zinc/70/25/31/492702531.db2.gz GBRKQZPTVSYHAH-PELKAZGASA-N -1 3 360.363 0.590 10 0 FCAEHM COC[C@H](CC[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)OC ZINC000657053803 492705098 /nfs/dbraw/zinc/70/50/98/492705098.db2.gz SFKBWVNVOITJBN-NSHDSACASA-N -1 3 351.446 0.420 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCN(C3CCC3)C2=O)c(C)o1 ZINC000629923442 492705381 /nfs/dbraw/zinc/70/53/81/492705381.db2.gz CDYCDCKATOCBHK-GFCCVEGCSA-N -1 3 355.416 0.379 10 0 FCAEHM COC[C@H]([N-]S(=O)(=O)CC1(OC)CCOCC1)C1CCOCC1 ZINC000657062580 492706766 /nfs/dbraw/zinc/70/67/66/492706766.db2.gz ZMTBYSANLRWSHJ-AWEZNQCLSA-N -1 3 351.465 0.543 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-]C[C@@H](O)COc2ccccc2)CCOCC1 ZINC000624992114 492707519 /nfs/dbraw/zinc/70/75/19/492707519.db2.gz OGVHATXDQVGXIH-OAHLLOKOSA-N -1 3 373.471 0.931 10 0 FCAEHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)c2ncnn21 ZINC000657069415 492708263 /nfs/dbraw/zinc/70/82/63/492708263.db2.gz VRIOSQJKGPWWTK-NXEZZACHSA-N -1 3 356.429 0.666 10 0 FCAEHM NC(=O)c1coc(C[N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)n1 ZINC000657070308 492708965 /nfs/dbraw/zinc/70/89/65/492708965.db2.gz KHTCHQJQVDJZBO-UHFFFAOYSA-N -1 3 364.383 0.379 10 0 FCAEHM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]Cc1nc(C(N)=O)co1 ZINC000657071386 492709133 /nfs/dbraw/zinc/70/91/33/492709133.db2.gz QKYMYTHMTLOTTC-LBPRGKRZSA-N -1 3 353.400 0.451 10 0 FCAEHM C[C@H]1CCCc2nc(S(=O)(=O)[N-]C[C@@]3(OCCO)CCOC3)cn21 ZINC000657087725 492713550 /nfs/dbraw/zinc/71/35/50/492713550.db2.gz WZAYSJXKRUTSNT-WFASDCNBSA-N -1 3 359.448 0.227 10 0 FCAEHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]C[C@]3(OCCO)CCOC3)cn21 ZINC000657087672 492713931 /nfs/dbraw/zinc/71/39/31/492713931.db2.gz WZAYSJXKRUTSNT-IUODEOHRSA-N -1 3 359.448 0.227 10 0 FCAEHM O=S(=O)([N-]CCC1CS(=O)(=O)C1)c1cccnc1OCC(F)F ZINC000625147104 492730486 /nfs/dbraw/zinc/73/04/86/492730486.db2.gz FGKNGLJNLJJRIA-UHFFFAOYSA-N -1 3 370.399 0.439 10 0 FCAEHM CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@]1(C)CC1(F)F ZINC000657157723 492733713 /nfs/dbraw/zinc/73/37/13/492733713.db2.gz XIHXAWGYMLIUDE-NSHDSACASA-N -1 3 354.400 0.918 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-][C@H](CO)c1ccnn1C)c1ccc(F)cc1 ZINC000625241867 492744311 /nfs/dbraw/zinc/74/43/11/492744311.db2.gz BDDNFYSSTIXHBK-HIFRSBDPSA-N -1 3 357.407 0.900 10 0 FCAEHM O=S(=O)([N-]CC[C@]1(O)CCOC1)c1cccnc1OCC(F)F ZINC000625271458 492749700 /nfs/dbraw/zinc/74/97/00/492749700.db2.gz VCRTXECIMUEDOH-ZDUSSCGKSA-N -1 3 352.359 0.545 10 0 FCAEHM CO[C@@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)c1ccc(C)c(F)c1F ZINC000625278014 492750416 /nfs/dbraw/zinc/75/04/16/492750416.db2.gz KDPNXQCYMWTJJF-RKDXNWHRSA-N -1 3 355.384 0.364 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-]CC2(S(=O)(=O)CC)CC2)CCOCC1 ZINC000625284501 492751649 /nfs/dbraw/zinc/75/16/49/492751649.db2.gz KNNBWZSVQHBXHS-UHFFFAOYSA-N -1 3 369.505 0.459 10 0 FCAEHM Cc1cnn(C)c1NC(=O)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000657537643 492759223 /nfs/dbraw/zinc/75/92/23/492759223.db2.gz RXYSXMKJEZLZPW-UHFFFAOYSA-N -1 3 371.397 0.357 10 0 FCAEHM Cc1cc(CS(=O)(=O)[N-]C[C@@]2(CO)COCC3(CCC3)N2C)no1 ZINC000625377371 492769103 /nfs/dbraw/zinc/76/91/03/492769103.db2.gz UKQIZSFKFBDCQW-OAHLLOKOSA-N -1 3 359.448 0.018 10 0 FCAEHM CCN1CCN(C[C@@H](C)CN=c2nn[n-]n2Cc2ccc(OC)cc2)CC1 ZINC000631065648 492796542 /nfs/dbraw/zinc/79/65/42/492796542.db2.gz ZCAUXQWTFMVNRD-INIZCTEOSA-N -1 3 373.505 0.837 10 0 FCAEHM C[C@@H]1[C@H]([N-]S(=O)(=O)c2cccnc2C(F)(F)F)CCS1(=O)=O ZINC000625520272 492808838 /nfs/dbraw/zinc/80/88/38/492808838.db2.gz GLBXACOPBLBDNI-HTQZYQBOSA-N -1 3 358.363 0.954 10 0 FCAEHM COC1(CS(=O)(=O)[N-][C@@H](C)C2(S(C)(=O)=O)CC2)CCOCC1 ZINC000651703417 492809223 /nfs/dbraw/zinc/80/92/23/492809223.db2.gz XZAWNDOYAHUIRE-NSHDSACASA-N -1 3 355.478 0.067 10 0 FCAEHM COC1(CS(=O)(=O)[N-][C@H](C)C2(S(C)(=O)=O)CC2)CCOCC1 ZINC000651703416 492809397 /nfs/dbraw/zinc/80/93/97/492809397.db2.gz XZAWNDOYAHUIRE-LLVKDONJSA-N -1 3 355.478 0.067 10 0 FCAEHM O=S(=O)([N-]C[C@@]1(CO)CCc2ccccc21)c1cnn2c1OCCC2 ZINC000651787337 492823100 /nfs/dbraw/zinc/82/31/00/492823100.db2.gz NVZCYQYGLKWQQC-QGZVFWFLSA-N -1 3 363.439 0.820 10 0 FCAEHM CN1CCN(CCOc2ccc(NC(=O)CCc3nnn[n-]3)cc2)CC1 ZINC000631557504 492824778 /nfs/dbraw/zinc/82/47/78/492824778.db2.gz OQUUGNDQSDWYPN-UHFFFAOYSA-N -1 3 359.434 0.397 10 0 FCAEHM CN1CCN(CCOc2ccc(NC(=O)CCc3nn[n-]n3)cc2)CC1 ZINC000631557504 492824782 /nfs/dbraw/zinc/82/47/82/492824782.db2.gz OQUUGNDQSDWYPN-UHFFFAOYSA-N -1 3 359.434 0.397 10 0 FCAEHM Cc1cc(C)c(NC(=O)C[N-]S(=O)(=O)C[C@@H]2CN(C)CCO2)c(C)c1 ZINC000631655988 492830260 /nfs/dbraw/zinc/83/02/60/492830260.db2.gz CHMLTIBCKYVLAS-HNNXBMFYSA-N -1 3 369.487 0.800 10 0 FCAEHM CC1(C)C[C@H](S(=O)(=O)[N-]CC(=O)Nc2ccc3c(c2)OCCO3)CO1 ZINC000625617072 492839720 /nfs/dbraw/zinc/83/97/20/492839720.db2.gz RDSGVHYDEXSOGZ-LBPRGKRZSA-N -1 3 370.427 0.883 10 0 FCAEHM Cc1cc(CS(=O)(=O)[N-]C[C@@H]2CN(Cc3ccncc3)CCO2)no1 ZINC000625618526 492840897 /nfs/dbraw/zinc/84/08/97/492840897.db2.gz KBADSCDDFLAQPR-MRXNPFEDSA-N -1 3 366.443 0.698 10 0 FCAEHM CN(C)S(=O)(=O)N1CC([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)C1 ZINC000625624102 492845638 /nfs/dbraw/zinc/84/56/38/492845638.db2.gz IVRFJZVHKQUZKJ-UHFFFAOYSA-N -1 3 371.843 0.248 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N3C[C@@H]4CCCC[C@@]43C)cnc21 ZINC000625631213 492848692 /nfs/dbraw/zinc/84/86/92/492848692.db2.gz FWSGYCGMJFDKKB-QFYYESIMSA-N -1 3 364.427 0.987 10 0 FCAEHM Cc1nn2cc(Br)cnc2c1S(=O)(=O)[N-][C@H]1CCN(C)C1 ZINC000631786542 492853133 /nfs/dbraw/zinc/85/31/33/492853133.db2.gz YMPBKHHRFSPWKU-JTQLQIEISA-N -1 3 374.264 0.783 10 0 FCAEHM Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1 ZINC000651979892 492857557 /nfs/dbraw/zinc/85/75/57/492857557.db2.gz PDBAUNYMMALBPW-GFCCVEGCSA-N -1 3 364.431 0.161 10 0 FCAEHM CN1CCO[C@H](CS(=O)(=O)[N-]Cc2noc(-c3cccs3)n2)C1 ZINC000631814282 492857730 /nfs/dbraw/zinc/85/77/30/492857730.db2.gz HTWXRRVUSDFCED-JTQLQIEISA-N -1 3 358.445 0.548 10 0 FCAEHM CN1CCO[C@@H](CS(=O)(=O)[N-][C@@H]2CCN(Cc3ccccc3)C2=O)C1 ZINC000631813564 492857898 /nfs/dbraw/zinc/85/78/98/492857898.db2.gz QIQSUBOQUNADMT-HZPDHXFCSA-N -1 3 367.471 0.038 10 0 FCAEHM CC(C)O[C@]1(CS(=O)(=O)[N-][C@H]2CCN(C3CCC3)C2=O)CCOC1 ZINC000625689600 492861660 /nfs/dbraw/zinc/86/16/60/492861660.db2.gz CDPLWNTWBUXVOY-GOEBONIOSA-N -1 3 360.476 0.643 10 0 FCAEHM O=C1[C@H]([N-]S(=O)(=O)c2cnnn2-c2ccccc2)CCN1C1CCC1 ZINC000625689797 492861763 /nfs/dbraw/zinc/86/17/63/492861763.db2.gz DWBGLFVNQNECBT-CQSZACIVSA-N -1 3 361.427 0.699 10 0 FCAEHM CN(C)C(=O)[C@@H]1CCCN1CCCNS(=O)(=O)c1cc([O-])cc(F)c1 ZINC000631879634 492868413 /nfs/dbraw/zinc/86/84/13/492868413.db2.gz CBSTTXSAJJWSBH-HNNXBMFYSA-N -1 3 373.450 0.752 10 0 FCAEHM O=C1[C@@H]([N-]S(=O)(=O)C[C@@H]2CNCCO2)CCN1c1ccccc1Cl ZINC000631919829 492884867 /nfs/dbraw/zinc/88/48/67/492884867.db2.gz ZQGDZAMZNGFIMS-AAEUAGOBSA-N -1 3 373.862 0.353 10 0 FCAEHM CCN1C[C@@H](S(=O)(=O)[N-][C@@H]2CCN(c3ccccc3)C2=O)CC1=O ZINC000631934879 492890923 /nfs/dbraw/zinc/89/09/23/492890923.db2.gz MZRLXWUJXLFGCI-UONOGXRCSA-N -1 3 351.428 0.332 10 0 FCAEHM CN1CCO[C@@H](CS(=O)(=O)[N-][C@@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000631953397 492897752 /nfs/dbraw/zinc/89/77/52/492897752.db2.gz JJFWVGOHLAWRQF-TZMCWYRMSA-N -1 3 371.434 0.181 10 0 FCAEHM O=C1C[C@H](S(=O)(=O)[N-]C[C@@H]2OCCc3ccccc32)CN1C1CC1 ZINC000631959449 492899110 /nfs/dbraw/zinc/89/91/10/492899110.db2.gz UEACMOWRJIQDOY-HOCLYGCPSA-N -1 3 350.440 0.983 10 0 FCAEHM O=C1C[C@H](S(=O)(=O)[N-]C[C@H]2OCCc3ccccc32)CN1C1CC1 ZINC000631959448 492899161 /nfs/dbraw/zinc/89/91/61/492899161.db2.gz UEACMOWRJIQDOY-GOEBONIOSA-N -1 3 350.440 0.983 10 0 FCAEHM O=C1C[C@@H](S(=O)(=O)[N-]C[C@@H]2OCCc3ccccc32)CN1C1CC1 ZINC000631959450 492899193 /nfs/dbraw/zinc/89/91/93/492899193.db2.gz UEACMOWRJIQDOY-ZBFHGGJFSA-N -1 3 350.440 0.983 10 0 FCAEHM CCN1C[C@H](S(=O)(=O)[N-][C@H]2CCCN(c3ccccc3)C2=O)CC1=O ZINC000631969578 492900971 /nfs/dbraw/zinc/90/09/71/492900971.db2.gz GDKMYLGGZQPJJV-CABCVRRESA-N -1 3 365.455 0.722 10 0 FCAEHM Cn1cnc(CCCNC(=O)NCC[N-]S(=O)(=O)c2cccs2)n1 ZINC000645381099 492901397 /nfs/dbraw/zinc/90/13/97/492901397.db2.gz VBOPZAZLIVYDKD-UHFFFAOYSA-N -1 3 372.476 0.087 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CCCN2CCOCC2)coc1C(=O)N(C)C ZINC000645422704 492904905 /nfs/dbraw/zinc/90/49/05/492904905.db2.gz LNSVRBAAZXHSDJ-UHFFFAOYSA-N -1 3 359.448 0.290 10 0 FCAEHM COc1ccccc1[C@@H](CO)[N-]S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000632014848 492911453 /nfs/dbraw/zinc/91/14/53/492911453.db2.gz UAGKZGZCBRGBLI-TZMCWYRMSA-N -1 3 354.428 0.411 10 0 FCAEHM C[C@H](C[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C)N1CCN(C)CC1 ZINC000632020855 492912707 /nfs/dbraw/zinc/91/27/07/492912707.db2.gz RHZZXYZYCNXRGA-SNVBAGLBSA-N -1 3 369.413 0.353 10 0 FCAEHM Cn1ccc(N2CCC[C@H]([N-]S(=O)(=O)CCOC(C)(C)C)C2=O)n1 ZINC000632038165 492916445 /nfs/dbraw/zinc/91/64/45/492916445.db2.gz QPZHYSUBDCUXPH-LBPRGKRZSA-N -1 3 358.464 0.650 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@H]2CC(=O)N(C(C)C)C2)coc1C(=O)N(C)C ZINC000645512405 492918324 /nfs/dbraw/zinc/91/83/24/492918324.db2.gz RYUQWPIILNSXHX-NSHDSACASA-N -1 3 357.432 0.577 10 0 FCAEHM C[C@H]1C[C@@H]([N-]S(=O)(=O)CCOC(C)(C)C)C(=O)N1c1cnn(C)c1 ZINC000632048797 492920165 /nfs/dbraw/zinc/92/01/65/492920165.db2.gz UJMPVZQYXBQDCB-WCQYABFASA-N -1 3 358.464 0.648 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CCOC[C@H]2CCOC2)coc1C(=O)N(C)C ZINC000645528292 492920362 /nfs/dbraw/zinc/92/03/62/492920362.db2.gz SECAEFWWUUHDHC-LBPRGKRZSA-N -1 3 360.432 0.621 10 0 FCAEHM C[C@H](CCS(C)(=O)=O)[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000632106922 492931526 /nfs/dbraw/zinc/93/15/26/492931526.db2.gz TUHYNDIAUSJEAY-SSDOTTSWSA-N -1 3 363.383 0.540 10 0 FCAEHM C[C@H]1C[C@H]([N-]S(=O)(=O)CCOCC2CCC2)C(=O)N1c1cnn(C)c1 ZINC000645573830 492929983 /nfs/dbraw/zinc/92/99/83/492929983.db2.gz ZBAHKAZZFYYIGH-WFASDCNBSA-N -1 3 370.475 0.650 10 0 FCAEHM COC1CCN(CC[N-]S(=O)(=O)c2coc(C(=O)N(C)C)c2C)CC1 ZINC000645593330 492934925 /nfs/dbraw/zinc/93/49/25/492934925.db2.gz WCJQTSMXEHLZQP-UHFFFAOYSA-N -1 3 373.475 0.679 10 0 FCAEHM CCN1C[C@H](S(=O)(=O)[N-][C@@H]2CCCN(CC(F)(F)F)C2=O)CC1=O ZINC000632127745 492934931 /nfs/dbraw/zinc/93/49/31/492934931.db2.gz HMPSZCHIFXDSKC-NXEZZACHSA-N -1 3 371.381 0.080 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]Cc2ccc(C(N)=O)nc2)coc1C(=O)N(C)C ZINC000645596303 492935552 /nfs/dbraw/zinc/93/55/52/492935552.db2.gz BWDKQLUTTFNGBC-UHFFFAOYSA-N -1 3 366.399 0.262 10 0 FCAEHM COC1(CS(=O)(=O)[N-][C@@H]2CCCN(Cc3nccn3C)C2=O)CCC1 ZINC000632201910 492949615 /nfs/dbraw/zinc/94/96/15/492949615.db2.gz ZZHUBPGTSXADQR-CYBMUJFWSA-N -1 3 370.475 0.400 10 0 FCAEHM CCO[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000632209746 492951613 /nfs/dbraw/zinc/95/16/13/492951613.db2.gz KUNZQZQODXMLRZ-NXEZZACHSA-N -1 3 357.354 0.911 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]C(C)(C)CS(C)(=O)=O)coc1C(=O)N(C)C ZINC000645650330 492954815 /nfs/dbraw/zinc/95/48/15/492954815.db2.gz DZBOOTBTTXQSLO-UHFFFAOYSA-N -1 3 366.461 0.391 10 0 FCAEHM CCO[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)C[C@H](OC)C1CCOCC1 ZINC000645651020 492955148 /nfs/dbraw/zinc/95/51/48/492955148.db2.gz SYKXBFUSEBLDET-ZNMIVQPWSA-N -1 3 351.465 0.541 10 0 FCAEHM COCCN1CC[C@H]([N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)C1 ZINC000632255409 492958310 /nfs/dbraw/zinc/95/83/10/492958310.db2.gz RSUIPWWLVYLZOZ-VIFPVBQESA-N -1 3 356.370 0.438 10 0 FCAEHM CCN1C[C@H](S(=O)(=O)[N-][C@@H]2CCCN(C3CCCCC3)C2=O)CC1=O ZINC000632261791 492959521 /nfs/dbraw/zinc/95/95/21/492959521.db2.gz ZFXJBQWNZALONG-HUUCEWRRSA-N -1 3 371.503 0.850 10 0 FCAEHM CCN1C[C@H](S(=O)(=O)[N-][C@H]2CCCN(C3CCCCC3)C2=O)CC1=O ZINC000632261789 492959651 /nfs/dbraw/zinc/95/96/51/492959651.db2.gz ZFXJBQWNZALONG-CABCVRRESA-N -1 3 371.503 0.850 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@H](C)C1(S(C)(=O)=O)CC1)C1CCOCC1 ZINC000645711492 492964996 /nfs/dbraw/zinc/96/49/96/492964996.db2.gz VCFRQVWMOWQUEY-DGCLKSJQSA-N -1 3 369.505 0.313 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-][C@@H](C)C1(S(C)(=O)=O)CC1)C1CCOCC1 ZINC000645711490 492965240 /nfs/dbraw/zinc/96/52/40/492965240.db2.gz VCFRQVWMOWQUEY-AAEUAGOBSA-N -1 3 369.505 0.313 10 0 FCAEHM CS(=O)(=O)c1cccnc1C[N-]S(=O)(=O)C[C@@H]1CCC1(F)F ZINC000632285396 492965426 /nfs/dbraw/zinc/96/54/26/492965426.db2.gz QBODABBCSKPVCG-VIFPVBQESA-N -1 3 354.400 0.950 10 0 FCAEHM CCNC(=O)[C@@H]([N-]S(=O)(=O)C[C@@H](OC)C1CCOCC1)C(C)C ZINC000645731076 492967913 /nfs/dbraw/zinc/96/79/13/492967913.db2.gz MHVQIRJLPFVXRO-KGLIPLIRSA-N -1 3 350.481 0.508 10 0 FCAEHM CC[C@H]([N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C)[C@H](O)C(F)F ZINC000645744498 492969346 /nfs/dbraw/zinc/96/93/46/492969346.db2.gz YFFJVGMFMXGWSV-WPRPVWTQSA-N -1 3 354.375 0.973 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]C[C@H]2CCCCN2CCO)coc1C(=O)N(C)C ZINC000645741103 492968845 /nfs/dbraw/zinc/96/88/45/492968845.db2.gz ASDDLWMKRYNKBU-CYBMUJFWSA-N -1 3 373.475 0.415 10 0 FCAEHM COC1(CS(=O)(=O)[N-]CC2(OCCO)CCOCC2)CCCC1 ZINC000632309360 492970349 /nfs/dbraw/zinc/97/03/49/492970349.db2.gz BQMAMOSNPBGJLX-UHFFFAOYSA-N -1 3 351.465 0.423 10 0 FCAEHM CCCN1C[C@H](C[N-]S(=O)(=O)c2coc(C(=O)N(C)C)c2C)CC1=O ZINC000645764180 492972022 /nfs/dbraw/zinc/97/20/22/492972022.db2.gz RDZAJSPXRAGUIY-LBPRGKRZSA-N -1 3 371.459 0.827 10 0 FCAEHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]CCCc2ncn(C)n2)s1 ZINC000645805155 492976815 /nfs/dbraw/zinc/97/68/15/492976815.db2.gz UJZSFIGHBYVUPU-JTQLQIEISA-N -1 3 371.488 0.985 10 0 FCAEHM CC(=O)Nc1ccc(S(=O)(=O)[N-]CCCc2ncn(C)n2)c(F)c1 ZINC000645805147 492977028 /nfs/dbraw/zinc/97/70/28/492977028.db2.gz SYWLEINFFCLHMH-UHFFFAOYSA-N -1 3 355.395 0.824 10 0 FCAEHM CC(C)(C[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F)[C@]1(O)CCOC1 ZINC000645838899 492982088 /nfs/dbraw/zinc/98/20/88/492982088.db2.gz ROZPNBWCPWFTHZ-HNNXBMFYSA-N -1 3 374.390 0.716 10 0 FCAEHM O=C1C[C@H](S(=O)(=O)[N-]Cc2ncn(-c3ccccc3)n2)CN1C1CC1 ZINC000632374028 492985852 /nfs/dbraw/zinc/98/58/52/492985852.db2.gz KYKYEZUMWURZDG-AWEZNQCLSA-N -1 3 361.427 0.450 10 0 FCAEHM CN(C)C(=O)C1([N-]S(=O)(=O)[C@H]2CC(=O)N(C3CC3)C2)CCCCC1 ZINC000632406329 492991487 /nfs/dbraw/zinc/99/14/87/492991487.db2.gz MAZWEEOQKFWVJH-ZDUSSCGKSA-N -1 3 357.476 0.460 10 0 FCAEHM COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)[N-]c1ncn(C(C)C)n1 ZINC000652726961 493005494 /nfs/dbraw/zinc/00/54/94/493005494.db2.gz WXSJVFNFSXOOKW-UHFFFAOYSA-N -1 3 369.403 0.776 10 0 FCAEHM CC(C)n1cnc(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)n1 ZINC000652728500 493006763 /nfs/dbraw/zinc/00/67/63/493006763.db2.gz NCGJBBCXXSOSBU-UHFFFAOYSA-N -1 3 357.168 0.523 10 0 FCAEHM COc1cc(F)c(S(=O)(=O)[N-][C@H]2CS(=O)(=O)C2(C)C)cc1OC ZINC000632493716 493011024 /nfs/dbraw/zinc/01/10/24/493011024.db2.gz CYYKPRBFALWCEI-LBPRGKRZSA-N -1 3 367.420 0.697 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]CC(C)(C)[C@@]1(O)CCOC1 ZINC000632500579 493014169 /nfs/dbraw/zinc/01/41/69/493014169.db2.gz ZBXHXDJDOZDKSD-GFCCVEGCSA-N -1 3 371.381 0.895 10 0 FCAEHM CCn1cc(S(=O)(=O)[N-][C@H]2C[C@@H](N3CCOCC3)C2(C)C)nc1C ZINC000632501490 493015312 /nfs/dbraw/zinc/01/53/12/493015312.db2.gz NEIKVRKHYNEXNN-UONOGXRCSA-N -1 3 356.492 0.989 10 0 FCAEHM CN1CCC[C@@H]1CNC(=O)N[C@@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC000626769092 493017021 /nfs/dbraw/zinc/01/70/21/493017021.db2.gz XFWVWBOXVGZOBY-OAGGEKHMSA-N -1 3 374.441 0.807 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)NCC[C@@]1(O)CCOC1 ZINC000652811681 493023493 /nfs/dbraw/zinc/02/34/93/493023493.db2.gz RNXUOQKYZLJGFT-OAHLLOKOSA-N -1 3 360.407 0.152 10 0 FCAEHM O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)NC1COCCOC1 ZINC000652811974 493023839 /nfs/dbraw/zinc/02/38/39/493023839.db2.gz RXBZTDBHVUSPPR-UHFFFAOYSA-N -1 3 373.406 0.803 10 0 FCAEHM CCN1C[C@@H](CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC1=O ZINC000652833541 493026086 /nfs/dbraw/zinc/02/60/86/493026086.db2.gz PNVMVQUKKOGCMX-UKRRQHHQSA-N -1 3 359.426 0.981 10 0 FCAEHM COc1cccc([C@@H](C[N-]S(=O)(=O)C[C@H]2CN(C)CCO2)OC)c1 ZINC000632589680 493038388 /nfs/dbraw/zinc/03/83/88/493038388.db2.gz VFNFETGSYGGKRO-HZPDHXFCSA-N -1 3 358.460 0.633 10 0 FCAEHM O=C1C[C@@H](S(=O)(=O)[N-]C[C@@H](n2cccn2)C(F)(F)F)CN1C1CC1 ZINC000632589562 493038550 /nfs/dbraw/zinc/03/85/50/493038550.db2.gz RNMVSTPJCOYDCR-GHMZBOCLSA-N -1 3 366.365 0.669 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(CCOC)CC2(C)C)co1 ZINC000652926702 493044939 /nfs/dbraw/zinc/04/49/39/493044939.db2.gz JTQYAHNLJBWWOL-UHFFFAOYSA-N -1 3 359.448 0.371 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2[C@@H]2CCCN2C)o1 ZINC000646448015 493049259 /nfs/dbraw/zinc/04/92/59/493049259.db2.gz YHTIBQVPRGASFL-RYUDHWBXSA-N -1 3 357.432 0.123 10 0 FCAEHM O=C(NCc1ncccc1[O-])C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659080616 493144252 /nfs/dbraw/zinc/14/42/52/493144252.db2.gz BGEWWERDDGECOR-MRXNPFEDSA-N -1 3 356.382 0.703 10 0 FCAEHM COCC[C@@H](COC)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000641033845 493163898 /nfs/dbraw/zinc/16/38/98/493163898.db2.gz TUKBWMZAKOEDRR-RYUDHWBXSA-N -1 3 362.423 0.660 10 0 FCAEHM CC(C)(C(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)n1cc(N)cn1 ZINC000659266036 493180610 /nfs/dbraw/zinc/18/06/10/493180610.db2.gz JHXJKQMEWARUQY-KRWDZBQOSA-N -1 3 356.386 0.894 10 0 FCAEHM CN(C)C[C@H](NC(=O)CN1CC(=O)[N-]C1=O)c1cccc(C(F)(F)F)c1 ZINC000633765961 493189032 /nfs/dbraw/zinc/18/90/32/493189032.db2.gz JOBGEDGLMSEQPI-LBPRGKRZSA-N -1 3 372.347 0.976 10 0 FCAEHM COc1cccc([C@H]2CN(C(=O)NCc3nc(CN)cc(=O)[n-]3)CCO2)c1 ZINC000659630875 493223455 /nfs/dbraw/zinc/22/34/55/493223455.db2.gz OJHHYRQIHMSGRT-OAHLLOKOSA-N -1 3 373.413 0.933 10 0 FCAEHM CC[C@H]1CN(C(=O)NCc2nc(CN)cc(=O)[n-]2)CCN1CC(F)F ZINC000659629851 493223901 /nfs/dbraw/zinc/22/39/01/493223901.db2.gz AOBXXFSDHXSKLT-NSHDSACASA-N -1 3 358.393 0.512 10 0 FCAEHM CC1CCN(CCNC(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)CC1 ZINC000659645947 493228576 /nfs/dbraw/zinc/22/85/76/493228576.db2.gz CWAOKVSENUBYBN-UHFFFAOYSA-N -1 3 353.463 0.938 10 0 FCAEHM CC(C)CCc1nnc(NC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)s1 ZINC000667343385 493277181 /nfs/dbraw/zinc/27/71/81/493277181.db2.gz VPXRGTPLNOKFGC-SECBINFHSA-N -1 3 352.420 0.895 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)NC(C)(C)C(F)F)ccc1F ZINC000673001137 493278931 /nfs/dbraw/zinc/27/89/31/493278931.db2.gz JVIXPHSWFVONSI-UHFFFAOYSA-N -1 3 367.349 0.832 10 0 FCAEHM CN(CCc1ccc(F)cc1)C(=O)C(=O)NCc1nc(CN)cc(=O)[n-]1 ZINC000659747708 493284265 /nfs/dbraw/zinc/28/42/65/493284265.db2.gz IEIMIXPLWFWJSV-UHFFFAOYSA-N -1 3 361.377 0.097 10 0 FCAEHM O=C(NCCC1CS(=O)(=O)C1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000682561482 493309058 /nfs/dbraw/zinc/30/90/58/493309058.db2.gz VRRALSLJIBHMSX-UHFFFAOYSA-N -1 3 356.350 0.971 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1C[C@H](O)CC(F)(F)C1 ZINC000682590137 493310081 /nfs/dbraw/zinc/31/00/81/493310081.db2.gz TWCYJHUNFCRKHV-DTWKUNHWSA-N -1 3 354.400 0.643 10 0 FCAEHM C[C@]1(c2ccc(C(=O)N3C[C@@H](O)CC(F)(F)C3)cc2)NC(=O)[N-]C1=O ZINC000682592086 493310263 /nfs/dbraw/zinc/31/02/63/493310263.db2.gz XOKSCJBDQINPLP-XHDPSFHLSA-N -1 3 353.325 0.583 10 0 FCAEHM CCc1nc(S(=O)(=O)[N-][C@H](CO)c2ccnn2C)cn1CC1CC1 ZINC000659977804 493311089 /nfs/dbraw/zinc/31/10/89/493311089.db2.gz YIZVQSIUNYYDGE-GFCCVEGCSA-N -1 3 353.448 0.601 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c1 ZINC000660036557 493317900 /nfs/dbraw/zinc/31/79/00/493317900.db2.gz QNKWZNWGXIQNFI-ZIAGYGMSSA-N -1 3 354.476 0.825 10 0 FCAEHM CCS(=O)(=O)C1(C[N-]S(=O)(=O)CCOCC(F)(F)F)CC1 ZINC000660045433 493318289 /nfs/dbraw/zinc/31/82/89/493318289.db2.gz APYHFACOPMQTLP-UHFFFAOYSA-N -1 3 353.384 0.452 10 0 FCAEHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@H]2COC[C@H]2C1 ZINC000660078575 493322628 /nfs/dbraw/zinc/32/26/28/493322628.db2.gz JRXJAOAFJDZWBP-CHWSQXEVSA-N -1 3 374.484 0.642 10 0 FCAEHM C[C@@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(S(C)(=O)=O)nc1)c1ccccc1 ZINC000660161757 493331217 /nfs/dbraw/zinc/33/12/17/493331217.db2.gz HMDMZASGNWBBGH-IAQYHMDHSA-N -1 3 370.452 0.886 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CC[C@@H](N2CCC2)[C@H](F)C1 ZINC000684180356 493399829 /nfs/dbraw/zinc/39/98/29/493399829.db2.gz CEARGEDRSYETCC-VXGBXAGGSA-N -1 3 361.464 0.671 10 0 FCAEHM CS(=O)(=O)NC1(CNC(=O)NCc2ncccc2[O-])CCCCC1 ZINC000684251249 493402083 /nfs/dbraw/zinc/40/20/83/493402083.db2.gz FIRFALHRDBFGEN-UHFFFAOYSA-N -1 3 356.448 0.839 10 0 FCAEHM CN(C)CCNC(=O)c1ccc(NC(=O)c2cnc([O-])n(C)c2=O)cc1 ZINC000674389229 493412264 /nfs/dbraw/zinc/41/22/64/493412264.db2.gz WWFONKISGNQPND-UHFFFAOYSA-N -1 3 359.386 0.030 10 0 FCAEHM Cc1nc(C)c(CCC(=O)N(C)CCN2CCCS2(=O)=O)c(=O)[n-]1 ZINC000674504108 493424022 /nfs/dbraw/zinc/42/40/22/493424022.db2.gz IVEIKHWUYMZTMT-UHFFFAOYSA-N -1 3 356.448 0.226 10 0 FCAEHM C[C@H]1C[C@@H](NC(=O)NCC[N-]S(=O)(=O)c2cccs2)c2ncnn21 ZINC000661533985 493445452 /nfs/dbraw/zinc/44/54/52/493445452.db2.gz DGQKDQKXGIJPSR-VHSXEESVSA-N -1 3 370.460 0.623 10 0 FCAEHM CCOc1ccc([C@H](C)NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)cc1 ZINC000674877020 493454312 /nfs/dbraw/zinc/45/43/12/493454312.db2.gz ZYWNLPDMVVFRHY-LBPRGKRZSA-N -1 3 366.443 0.975 10 0 FCAEHM COc1ccsc1S(=O)(=O)[N-]CCCN1CCCS1(=O)=O ZINC000675458329 493482495 /nfs/dbraw/zinc/48/24/95/493482495.db2.gz IDPGAUHIJNQDLL-UHFFFAOYSA-N -1 3 354.475 0.461 10 0 FCAEHM CN1CC[C@H](N[C@@H]2CCN(CC(=O)[O-])C2=O)[C@H]1c1ccc(F)c(F)c1 ZINC000662210497 493496869 /nfs/dbraw/zinc/49/68/69/493496869.db2.gz GUMBRLDARVRRBF-SQWLQELKSA-N -1 3 353.369 0.985 10 0 FCAEHM CS(=O)(=O)c1ccc(OCCCN2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1 ZINC000662220161 493497506 /nfs/dbraw/zinc/49/75/06/493497506.db2.gz STPWFISEQVZUCK-CXAGYDPISA-N -1 3 369.439 0.892 10 0 FCAEHM O=C([O-])[C@]12COC[C@H]1CN(CC(=O)NCc1ccc(OC(F)F)cc1)C2 ZINC000662220257 493497641 /nfs/dbraw/zinc/49/76/41/493497641.db2.gz FQTUPGUXSXEQDD-SJKOYZFVSA-N -1 3 370.352 0.937 10 0 FCAEHM C[C@H]1CCCC[C@@H]1OCCNC(=O)CN1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662219966 493497817 /nfs/dbraw/zinc/49/78/17/493497817.db2.gz PSKRBODEEKHYMU-JTOWHCCKSA-N -1 3 354.447 0.731 10 0 FCAEHM CCN(CC)CCS(=O)(=O)[N-][C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000685593239 493504861 /nfs/dbraw/zinc/50/48/61/493504861.db2.gz XRLSGOYYKJUPPM-GXTWGEPZSA-N -1 3 357.480 0.175 10 0 FCAEHM CS(=O)(=O)NC1CC([N-]S(=O)(=O)c2cnccc2C(F)(F)F)C1 ZINC000669844954 493529563 /nfs/dbraw/zinc/52/95/63/493529563.db2.gz WOCAOXRUHABJBP-UHFFFAOYSA-N -1 3 373.378 0.459 10 0 FCAEHM CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)NCc1nc(CN)cc(=O)[n-]1 ZINC000662751334 493537668 /nfs/dbraw/zinc/53/76/68/493537668.db2.gz AFPJAVLASORYCM-KOLCDFICSA-N -1 3 353.448 0.205 10 0 FCAEHM C[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F)[C@H]1CN(C)CCO1 ZINC000676287040 493541608 /nfs/dbraw/zinc/54/16/08/493541608.db2.gz NGRRZSUQWMDDAV-MBNYWOFBSA-N -1 3 373.450 0.328 10 0 FCAEHM NCc1cc(=O)[n-]c(CNC(=O)[C@H]2CSCN2C(=O)c2ccccc2)n1 ZINC000662944937 493558370 /nfs/dbraw/zinc/55/83/70/493558370.db2.gz CEDOFXQAPGXXPZ-CYBMUJFWSA-N -1 3 373.438 0.472 10 0 FCAEHM O=C([O-])[C@]12COC[C@H]1CN(C(=O)CC1(N3CCOCC3)CCCC1)C2 ZINC000663129882 493573482 /nfs/dbraw/zinc/57/34/82/493573482.db2.gz YTOWMLQUDWWWQJ-RDTXWAMCSA-N -1 3 352.431 0.581 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]c1ccnc(OCCO)c1)C1CCOCC1 ZINC000663301009 493583349 /nfs/dbraw/zinc/58/33/49/493583349.db2.gz XJAFASJXRQWOSI-AWEZNQCLSA-N -1 3 360.432 0.636 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC[C@H](C)S(C)(=O)=O ZINC000677181671 493588617 /nfs/dbraw/zinc/58/86/17/493588617.db2.gz XRGJESPHSOSYSZ-UWVGGRQHSA-N -1 3 366.436 0.042 10 0 FCAEHM C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663619154 493605035 /nfs/dbraw/zinc/60/50/35/493605035.db2.gz FPOFRBGSIVWBLE-IPYPFGDCSA-N -1 3 353.463 0.840 10 0 FCAEHM CN(C)Cc1cccc(CNC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)c1 ZINC000663619460 493605108 /nfs/dbraw/zinc/60/51/08/493605108.db2.gz DCPMQZAXIFLLQV-INIZCTEOSA-N -1 3 361.442 0.982 10 0 FCAEHM O=C([O-])[C@@H](CNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12)C1CCC1 ZINC000663628672 493606439 /nfs/dbraw/zinc/60/64/39/493606439.db2.gz GZFIGGDEXWZXOQ-RRFJBIMHSA-N -1 3 351.447 0.737 10 0 FCAEHM C[C@]1(c2ccc(CNC(=O)N3CC[C@@H]4COC[C@@H]4C3)cc2)NC(=O)[N-]C1=O ZINC000663918824 493625763 /nfs/dbraw/zinc/62/57/63/493625763.db2.gz FRVFMXVYTIDYHA-BIENJYKASA-N -1 3 372.425 0.919 10 0 FCAEHM C[C@]1(c2ccc(CNC(=O)N[C@H]3C[C@H](O)C34CCC4)cc2)NC(=O)[N-]C1=O ZINC000663920608 493625868 /nfs/dbraw/zinc/62/58/68/493625868.db2.gz WQLBTQHRRQVHHJ-SUNYJGFJSA-N -1 3 372.425 0.844 10 0 FCAEHM C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000678326296 493641152 /nfs/dbraw/zinc/64/11/52/493641152.db2.gz MNBHWKUEFKVSJY-GWCFXTLKSA-N -1 3 370.365 0.787 10 0 FCAEHM COc1nc(NC(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)n[n-]1 ZINC000678351864 493641813 /nfs/dbraw/zinc/64/18/13/493641813.db2.gz VYHGZKBEBXKFRQ-JDNHERCYSA-N -1 3 364.406 0.889 10 0 FCAEHM COc1nnc(NC(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)[n-]1 ZINC000678351864 493641816 /nfs/dbraw/zinc/64/18/16/493641816.db2.gz VYHGZKBEBXKFRQ-JDNHERCYSA-N -1 3 364.406 0.889 10 0 FCAEHM COc1n[n-]c(NC(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)n1 ZINC000678351864 493641818 /nfs/dbraw/zinc/64/18/18/493641818.db2.gz VYHGZKBEBXKFRQ-JDNHERCYSA-N -1 3 364.406 0.889 10 0 FCAEHM O=C(NCCN1C[C@H]2CCCCN2C1=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000664438767 493659532 /nfs/dbraw/zinc/65/95/32/493659532.db2.gz NVSWSZXKXMYELQ-GFCCVEGCSA-N -1 3 371.397 0.982 10 0 FCAEHM O[C@@H]1C[C@H](N=c2cc(N[C@H]3C[C@H](O)C34CCC4)n3[n-]cnc3n2)C12CCC2 ZINC000664466745 493662014 /nfs/dbraw/zinc/66/20/14/493662014.db2.gz NLPCORLUNVQGQQ-FQUUOJAGSA-N -1 3 370.457 0.977 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)N1CC[C@@H]2COC[C@@H]2C1 ZINC000664501038 493663967 /nfs/dbraw/zinc/66/39/67/493663967.db2.gz FMWKSKDZOGCHGT-NEPJUHHUSA-N -1 3 359.473 0.704 10 0 FCAEHM Cn1cc(C[N-]S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)nn1 ZINC000679935978 493702214 /nfs/dbraw/zinc/70/22/14/493702214.db2.gz VBKYRMFNHSBQAO-UHFFFAOYSA-N -1 3 355.807 0.832 10 0 FCAEHM CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H](C(=O)[O-])C2CCC2)CC1 ZINC000665324069 493709533 /nfs/dbraw/zinc/70/95/33/493709533.db2.gz LDXVUVUJBNNYDG-LSDHHAIUSA-N -1 3 366.462 0.435 10 0 FCAEHM Cn1cc(C[N-]S(=O)(=O)c2cc(Br)cc3c2OCC3)nn1 ZINC000680510783 493720623 /nfs/dbraw/zinc/72/06/23/493720623.db2.gz QCJQRFWLSXQKCO-UHFFFAOYSA-N -1 3 373.232 0.991 10 0 FCAEHM O=C(NCC[C@@H]1COc2ccccc2O1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000680611112 493726418 /nfs/dbraw/zinc/72/64/18/493726418.db2.gz ZWVMDOGERVHRMS-NEPJUHHUSA-N -1 3 360.370 0.162 10 0 FCAEHM C[C@]1(c2cccc(C(=O)NC3(CCO)CCOCC3)c2)NC(=O)[N-]C1=O ZINC000680934866 493737559 /nfs/dbraw/zinc/73/75/59/493737559.db2.gz SHSLITPBNVMXKA-QGZVFWFLSA-N -1 3 361.398 0.403 10 0 FCAEHM Cn1nnnc1CC[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000681267959 493754589 /nfs/dbraw/zinc/75/45/89/493754589.db2.gz LXYZCDVWSCDGBK-UHFFFAOYSA-N -1 3 364.200 0.633 10 0 FCAEHM NS(=O)(=O)c1ccc(CNC(=O)c2cc3c(cc2[O-])OCO3)cc1 ZINC000048211238 674351105 /nfs/dbraw/zinc/35/11/05/674351105.db2.gz XBBPKXWLGGZHFS-UHFFFAOYSA-N -1 3 350.352 0.698 10 0 FCAEHM COC(=O)c1sc2[n-]c(CN3CCO[C@@H]([C@H](C)O)C3)nc(=O)c2c1C ZINC000412086417 534397878 /nfs/dbraw/zinc/39/78/78/534397878.db2.gz NRKZHELLJZFYFM-VHSXEESVSA-N -1 3 367.427 0.661 10 0 FCAEHM CN(C)c1nc(CN(C)[C@H]2CCN(C(=O)[C@H]3CCCOC3)C2)cc(=O)[n-]1 ZINC000276647984 522333749 /nfs/dbraw/zinc/33/37/49/522333749.db2.gz YAPCWLGWGKOPNY-ZFWWWQNUSA-N -1 3 363.462 0.708 10 0 FCAEHM CN(CC(=O)[O-])C[C@@H]1CN(C(=O)C[C@H]2OCCc3ccccc32)CCO1 ZINC000275614442 522525700 /nfs/dbraw/zinc/52/57/00/522525700.db2.gz ITFZAXANZKUEAZ-NVXWUHKLSA-N -1 3 362.426 0.934 10 0 FCAEHM CN1CC[C@@H](C[N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)CC1=O ZINC000425186090 536450609 /nfs/dbraw/zinc/45/06/09/536450609.db2.gz SYGSLSLJQVWTEK-LLVKDONJSA-N -1 3 360.457 0.237 10 0 FCAEHM CC[C@@H](NC(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1)C(=O)OC ZINC000438978388 535786402 /nfs/dbraw/zinc/78/64/02/535786402.db2.gz XMKACYBRWBOUBN-GFCCVEGCSA-N -1 3 364.370 0.701 10 0 FCAEHM CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]Cc1noc(C2CC2)n1 ZINC000443045980 536332084 /nfs/dbraw/zinc/33/20/84/536332084.db2.gz IPPKKQQVZLLDNO-UHFFFAOYSA-N -1 3 372.428 0.334 10 0 FCAEHM COC[C@](C)(O)CCNC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000452339533 536640148 /nfs/dbraw/zinc/64/01/48/536640148.db2.gz MSMLHUBNZHULIS-CYBMUJFWSA-N -1 3 350.462 0.320 10 0 FCAEHM COC(=O)c1nscc1S(=O)(=O)[N-]CC(=O)NC1CCCCC1 ZINC000443049339 536866416 /nfs/dbraw/zinc/86/64/16/536866416.db2.gz MYNWHJPEURZVDN-UHFFFAOYSA-N -1 3 361.445 0.657 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-][C@H]2CN(c3ccc(F)cc3)C2=O)C[C@H](C)O1 ZINC000329298643 546552102 /nfs/dbraw/zinc/55/21/02/546552102.db2.gz LNBZSIKNILRWTJ-WDMOLILDSA-N -1 3 357.407 0.485 10 0 FCAEHM CC[C@@H](C)C[C@H]([N-]S(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)OC ZINC000592066191 546606528 /nfs/dbraw/zinc/60/65/28/546606528.db2.gz LTSPNLVHRGIOOQ-PWSUYJOCSA-N -1 3 355.478 0.461 10 0 FCAEHM C[C@@H]1CCN(S(=O)(=O)[N-][C@@H](C(=O)OC(C)(C)C)c2ccnn2C)C1 ZINC000592106233 546608802 /nfs/dbraw/zinc/60/88/02/546608802.db2.gz SSWAPXLMBVRLDW-DGCLKSJQSA-N -1 3 358.464 0.979 10 0 FCAEHM CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)C1 ZINC000593506176 546711521 /nfs/dbraw/zinc/71/15/21/546711521.db2.gz NNXJYQSQUDCXEU-QJPTWQEYSA-N -1 3 351.403 0.507 10 0 FCAEHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCC(=O)N(C)C2)c(F)c1 ZINC000593549472 546713435 /nfs/dbraw/zinc/71/34/35/546713435.db2.gz TWXHCNMCGYDVBQ-LLVKDONJSA-N -1 3 358.391 0.902 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@@H](CCF)C(=O)OC ZINC000593634036 546724597 /nfs/dbraw/zinc/72/45/97/546724597.db2.gz JGMFIJUNTXPORJ-VIFPVBQESA-N -1 3 351.352 0.863 10 0 FCAEHM CCOC(=O)c1ccc(S(=O)(=O)[N-]CC[C@@]2(O)CCOC2)c(F)c1 ZINC000593634896 546725599 /nfs/dbraw/zinc/72/55/99/546725599.db2.gz DTLURRWPYBLHGD-OAHLLOKOSA-N -1 3 361.391 0.822 10 0 FCAEHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCNC(=O)CC2)c(F)c1 ZINC000593609931 546727343 /nfs/dbraw/zinc/72/73/43/546727343.db2.gz ZTYVQECXXPYIJD-LLVKDONJSA-N -1 3 358.391 0.949 10 0 FCAEHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593712449 546743932 /nfs/dbraw/zinc/74/39/32/546743932.db2.gz WWSTZQKGGRYVFJ-GHMSSADISA-N -1 3 356.425 0.513 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@@H](CCSC)C(=O)N(C)C)[C@@H]1CCOC1 ZINC000594778354 546832778 /nfs/dbraw/zinc/83/27/78/546832778.db2.gz IGVZNJRWLPSXFO-FRRDWIJNSA-N -1 3 368.521 0.167 10 0 FCAEHM O=C(NCCc1cc(F)c(F)c(F)c1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000546846228 547047411 /nfs/dbraw/zinc/04/74/11/547047411.db2.gz JKTIQBPSGTYHGK-NSHDSACASA-N -1 3 356.304 0.592 10 0 FCAEHM COc1cc(=NC(=O)CS[C@H](C)C(=O)Nc2cc(C)on2)[n-]n1C ZINC000548472351 547060743 /nfs/dbraw/zinc/06/07/43/547060743.db2.gz BAXCRIXOTKWAFO-SECBINFHSA-N -1 3 353.404 0.268 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)C2CN(CC(F)F)C2)ccc1F ZINC000553076909 547250532 /nfs/dbraw/zinc/25/05/32/547250532.db2.gz IXUQZDZBPSSHIU-UHFFFAOYSA-N -1 3 351.350 0.869 10 0 FCAEHM COC(=O)[C@@]1([N-]S(=O)(=O)c2cnc(NC(C)=O)s2)CCSC1 ZINC000553531493 547285424 /nfs/dbraw/zinc/28/54/24/547285424.db2.gz VREOXBHXDBQCMN-LLVKDONJSA-N -1 3 365.458 0.429 10 0 FCAEHM CN(C)S(=O)(=O)N1CCC[C@@H]([N-]S(=O)(=O)c2ccccc2F)C1 ZINC000553885660 547314070 /nfs/dbraw/zinc/31/40/70/547314070.db2.gz DRPLUCBKFNXLFD-LLVKDONJSA-N -1 3 365.452 0.375 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N(C)C[C@@H](O)C(F)(F)F ZINC000180790699 547404829 /nfs/dbraw/zinc/40/48/29/547404829.db2.gz CCQNSUPOWAOEPG-GZMMTYOYSA-N -1 3 372.340 0.874 10 0 FCAEHM CC(C)(C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000392756553 547415353 /nfs/dbraw/zinc/41/53/53/547415353.db2.gz VNZBRAOZBUGFQP-APPDUMDISA-N -1 3 350.419 0.224 10 0 FCAEHM CCOC(=O)[C@@H](F)[C@H]1CCN(C(=O)CNC(=O)c2ccc([O-])cc2)C1 ZINC000898537684 665882862 /nfs/dbraw/zinc/88/28/62/665882862.db2.gz SOVRUYFXXSMJAJ-WFASDCNBSA-N -1 3 352.362 0.872 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)[C@@H]1CSCN1C(=O)c1ccccc1 ZINC000898729079 665905147 /nfs/dbraw/zinc/90/51/47/665905147.db2.gz CIYJAJCQQRSLOV-KBPBESRZSA-N -1 3 360.439 0.830 10 0 FCAEHM COCC[C@@](C)(O)C[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000866845469 663139117 /nfs/dbraw/zinc/13/91/17/663139117.db2.gz HVDKBGZAFURYJC-SNVBAGLBSA-N -1 3 356.242 0.248 10 0 FCAEHM CCC(=O)N1CSC[C@H]1C(=O)N1CCN(c2nc(C)cc(=O)[n-]2)CC1 ZINC000899500645 665943487 /nfs/dbraw/zinc/94/34/87/665943487.db2.gz MHWNZIPTEXRRTR-LBPRGKRZSA-N -1 3 365.459 0.451 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000899623573 665948185 /nfs/dbraw/zinc/94/81/85/665948185.db2.gz RKWCAMGDHNATES-KOLCDFICSA-N -1 3 372.219 0.739 10 0 FCAEHM C[C@@H](CO)[C@H](C)[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866855651 663466667 /nfs/dbraw/zinc/46/66/67/663466667.db2.gz RNCUQEXFKWQRJF-BQBZGAKWSA-N -1 3 373.216 0.320 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-][C@@H]2CCN(c3ccc(C)cc3)C2=O)CC1 ZINC000866868760 663471219 /nfs/dbraw/zinc/47/12/19/663471219.db2.gz BDAYIEPINQLESW-CQSZACIVSA-N -1 3 366.439 0.973 10 0 FCAEHM CCN1C[C@@H](S(=O)(=O)[N-][C@@H]2CCN(c3ccc(C)cc3)C2=O)CC1=O ZINC000866869159 663471742 /nfs/dbraw/zinc/47/17/42/663471742.db2.gz GCENECWUDJDBJS-LSDHHAIUSA-N -1 3 365.455 0.641 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N(C[C@@H]2CCC(=O)N2)C(C)C)ccc1F ZINC000840561490 663623973 /nfs/dbraw/zinc/62/39/73/663623973.db2.gz XFXWUUOFEOJFRP-LBPRGKRZSA-N -1 3 371.434 0.863 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)Cn2cncn2)ccc1F ZINC000097682253 674586567 /nfs/dbraw/zinc/58/65/67/674586567.db2.gz MNCKMRUVUAWWGR-LLVKDONJSA-N -1 3 369.422 0.922 10 0 FCAEHM C[C@@H](CNC(=O)NNC(=O)c1ccccc1[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000047012342 664887260 /nfs/dbraw/zinc/88/72/60/664887260.db2.gz YXIAGCDWKDDMJY-RWMBFGLXSA-N -1 3 350.419 0.834 10 0 FCAEHM COC[C@](C)([N-]S(=O)(=O)c1cn(C)nc1Br)C(=O)OC ZINC000866947455 665238026 /nfs/dbraw/zinc/23/80/26/665238026.db2.gz CGDCDUFMQHXOCL-JTQLQIEISA-N -1 3 370.225 0.039 10 0 FCAEHM CNC(=O)[C@H]1CCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000729354124 665294729 /nfs/dbraw/zinc/29/47/29/665294729.db2.gz KMCAZNAELPDPPE-CYBMUJFWSA-N -1 3 371.434 0.863 10 0 FCAEHM CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436823151 666034404 /nfs/dbraw/zinc/03/44/04/666034404.db2.gz ZOTBGGPRUZEFHV-IUCAKERBSA-N -1 3 352.343 0.307 10 0 FCAEHM C/C=C/[C@@H](O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000908001006 666173187 /nfs/dbraw/zinc/17/31/87/666173187.db2.gz IWQTWWSAIUENLN-KXMPLOMGSA-N -1 3 350.799 0.811 10 0 FCAEHM O=C([O-])[C@@H]1CCCN(CC(=O)N2CCCC[C@@H]2CN2CCOCC2)C1 ZINC000911335062 666336248 /nfs/dbraw/zinc/33/62/48/666336248.db2.gz IFCRJUQFFPMKTI-HZPDHXFCSA-N -1 3 353.463 0.496 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NNC(=O)[C@H]2CCCO2)ccc1F ZINC000032261606 666368820 /nfs/dbraw/zinc/36/88/20/666368820.db2.gz CYVZKLLTRMFDRQ-GFCCVEGCSA-N -1 3 373.406 0.452 10 0 FCAEHM CS(=O)(=O)CCCS(=O)(=O)[N-][C@H]1c2ccccc2OC[C@@H]1F ZINC000921319000 666432209 /nfs/dbraw/zinc/43/22/09/666432209.db2.gz HIQBZWLXYJMVTP-AAEUAGOBSA-N -1 3 351.421 0.812 10 0 FCAEHM CS(=O)(=O)CCCS(=O)(=O)[N-][C@H]1c2ccccc2OC[C@H]1F ZINC000921319003 666432294 /nfs/dbraw/zinc/43/22/94/666432294.db2.gz HIQBZWLXYJMVTP-YPMHNXCESA-N -1 3 351.421 0.812 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]C[C@]2(CO)COCCN2C)c(F)c1F ZINC000921338580 666436367 /nfs/dbraw/zinc/43/63/67/666436367.db2.gz LMTXBLUHWHYCRA-AWEZNQCLSA-N -1 3 350.387 0.245 10 0 FCAEHM CN1CCOC[C@]1(CO)C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000921339547 666437115 /nfs/dbraw/zinc/43/71/15/666437115.db2.gz HFPCIMQFTZUJQA-GFCCVEGCSA-N -1 3 370.258 0.360 10 0 FCAEHM CN1C(=O)CN=C1[N-]C(=O)c1c(F)ccc(S(=O)(=O)CC2CC2)c1F ZINC000912497767 666447179 /nfs/dbraw/zinc/44/71/79/666447179.db2.gz IHZYOZPEDWFDKM-UHFFFAOYSA-N -1 3 371.365 0.706 10 0 FCAEHM CO[C@]1(C[N-]S(=O)(=O)c2ccc(Cl)s2)CCS(=O)(=O)C1 ZINC000921465897 666449128 /nfs/dbraw/zinc/44/91/28/666449128.db2.gz PVPVRAHPYBNHRG-JTQLQIEISA-N -1 3 359.878 0.884 10 0 FCAEHM COc1cc(C(=O)NCC23COCCN2CCOC3)cc(OC)c1[O-] ZINC000913302446 666520402 /nfs/dbraw/zinc/52/04/02/666520402.db2.gz APVAZGLRSDXSFN-UHFFFAOYSA-N -1 3 352.387 0.240 10 0 FCAEHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]CC(=O)NCc2ccco2)c1 ZINC000063183903 666604524 /nfs/dbraw/zinc/60/45/24/666604524.db2.gz AJERRQCDFKZXAW-UHFFFAOYSA-N -1 3 370.358 0.800 10 0 FCAEHM CCOc1nnc(NC(=O)c2nn(C)cc2I)[n-]1 ZINC000913777945 666650345 /nfs/dbraw/zinc/65/03/45/666650345.db2.gz SPHUUPWDIFOIIT-UHFFFAOYSA-N -1 3 362.131 0.794 10 0 FCAEHM CCOc1nc(NC(=O)c2nn(C)cc2I)n[n-]1 ZINC000913777945 666650347 /nfs/dbraw/zinc/65/03/47/666650347.db2.gz SPHUUPWDIFOIIT-UHFFFAOYSA-N -1 3 362.131 0.794 10 0 FCAEHM CCOc1n[n-]c(NC(=O)c2nn(C)cc2I)n1 ZINC000913777945 666650349 /nfs/dbraw/zinc/65/03/49/666650349.db2.gz SPHUUPWDIFOIIT-UHFFFAOYSA-N -1 3 362.131 0.794 10 0 FCAEHM COCCO[C@H]1COCC[C@@H]1[N-]S(=O)(=O)Cc1noc2c1CCCC2 ZINC000914396362 666750646 /nfs/dbraw/zinc/75/06/46/666750646.db2.gz OUOJTCZCZLKFOE-BBRMVZONSA-N -1 3 374.459 0.793 10 0 FCAEHM C[C@H](CC(=O)N[C@H]1CCCNC1=O)[N-]S(=O)(=O)c1cccnc1Cl ZINC000731896884 666844965 /nfs/dbraw/zinc/84/49/65/666844965.db2.gz NGCCXZJVIQFIOL-ZJUUUORDSA-N -1 3 374.850 0.187 10 0 FCAEHM COC1(OC)CCCC[C@@H]1[N-]S(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC000918061604 667098680 /nfs/dbraw/zinc/09/86/80/667098680.db2.gz SMQJYMURECCRMT-STQMWFEESA-N -1 3 369.505 0.662 10 0 FCAEHM O=S(=O)(Cc1cccc(F)c1Br)[N-][C@H]1COC[C@H]1O ZINC000918537205 667124463 /nfs/dbraw/zinc/12/44/63/667124463.db2.gz OKIJMIUQHRAWJG-VHSXEESVSA-N -1 3 354.197 0.767 10 0 FCAEHM O=S(=O)([N-][C@H](CO)CN1CCOCC1)c1ccc(Cl)cc1F ZINC000918989924 667149407 /nfs/dbraw/zinc/14/94/07/667149407.db2.gz WHAOMLVYAFCDFY-NSHDSACASA-N -1 3 352.815 0.451 10 0 FCAEHM CN1C(=O)N=NC1C[N-]S(=O)(=O)Cc1ccsc1Br ZINC000919693197 667195894 /nfs/dbraw/zinc/19/58/94/667195894.db2.gz KFZFHOZXYRKRBU-UHFFFAOYSA-N -1 3 367.250 0.964 10 0 FCAEHM CN1C[C@@H](CC[N-]S(=O)(=O)N=[S@](C)(=O)c2ccccc2)CC1=O ZINC000921057577 667266130 /nfs/dbraw/zinc/26/61/30/667266130.db2.gz BNXGHFFBXUIZPG-AMXDTQDGSA-N -1 3 359.473 0.846 10 0 FCAEHM CN(C)Cc1csc(C[N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)n1 ZINC000921105178 667268826 /nfs/dbraw/zinc/26/88/26/667268826.db2.gz OTLDNVJAVGYHIK-LBPRGKRZSA-N -1 3 371.488 0.841 10 0 FCAEHM CCOC(=O)[C@H](CC1CC1)[N-]S(=O)(=O)c1csnc1C(=O)OC ZINC000751470046 667470415 /nfs/dbraw/zinc/47/04/15/667470415.db2.gz CITAWBXMTYWCAE-VIFPVBQESA-N -1 3 362.429 0.940 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@H]1CCN1C1CCOCC1 ZINC000921911483 667540264 /nfs/dbraw/zinc/54/02/64/667540264.db2.gz IBANAAIKCLDZTR-GFCCVEGCSA-N -1 3 362.883 0.914 10 0 FCAEHM NC(=O)CO[N-]C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 ZINC000756493458 667676499 /nfs/dbraw/zinc/67/64/99/667676499.db2.gz FKTMCLYVUKGLMU-NSHDSACASA-N -1 3 357.388 0.178 10 0 FCAEHM CS[C@@H](CO)[C@@H](C)[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867018681 667728210 /nfs/dbraw/zinc/72/82/10/667728210.db2.gz WHQZOVMLDLWKHO-RQJHMYQMSA-N -1 3 358.283 0.573 10 0 FCAEHM Cc1nc(CNC(=O)C[C@H](C)[N-]S(=O)(=O)c2cccnc2Cl)no1 ZINC000760595766 667855517 /nfs/dbraw/zinc/85/55/17/667855517.db2.gz UQSUDLAGOJALHM-QMMMGPOBSA-N -1 3 373.822 0.800 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-][C@H]2CCOC2)c1I ZINC000867003139 667975949 /nfs/dbraw/zinc/97/59/49/667975949.db2.gz FYJCWXYNOWXGFL-LURJTMIESA-N -1 3 357.173 0.092 10 0 FCAEHM COC(=O)N1CCC([C@H](C)NC(=O)c2cc(=O)[n-]c(N(C)C)n2)CC1 ZINC000765515774 668008676 /nfs/dbraw/zinc/00/86/76/668008676.db2.gz OFVVJSIQTJJTSX-JTQLQIEISA-N -1 3 351.407 0.845 10 0 FCAEHM COC(=O)N1CCC([C@@H](C)NC(=O)c2cc(=O)[n-]c(N(C)C)n2)CC1 ZINC000765516167 668008903 /nfs/dbraw/zinc/00/89/03/668008903.db2.gz OFVVJSIQTJJTSX-SNVBAGLBSA-N -1 3 351.407 0.845 10 0 FCAEHM CC[S@@](=O)CCNC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000741418879 668019576 /nfs/dbraw/zinc/01/95/76/668019576.db2.gz BJKZGEGEMKFRIB-XMMPIXPASA-N -1 3 353.444 0.628 10 0 FCAEHM C[C@H](CO[N-]C(=O)CCCN1C(=O)CNC1=O)NC(=O)OC(C)(C)C ZINC000767177900 668046621 /nfs/dbraw/zinc/04/66/21/668046621.db2.gz OHWJGLKYEDFARO-SNVBAGLBSA-N -1 3 358.395 0.279 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)OCc1nc2cc(F)ccc2o1 ZINC000767375652 668050829 /nfs/dbraw/zinc/05/08/29/668050829.db2.gz SSFALGVCOZDMTF-UHFFFAOYSA-N -1 3 360.363 0.966 10 0 FCAEHM COC[C@@](C)(CO)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000768456398 668082756 /nfs/dbraw/zinc/08/27/56/668082756.db2.gz NJZRTOAGSSAIEM-OAHLLOKOSA-N -1 3 360.407 0.394 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)O[C@H]2CCNC2=O)c1Cl ZINC000770034793 668168867 /nfs/dbraw/zinc/16/88/67/668168867.db2.gz ZBUPAVYCLQCYKZ-ZETCQYMHSA-N -1 3 367.210 0.947 10 0 FCAEHM COCCO[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000776802883 668294272 /nfs/dbraw/zinc/29/42/72/668294272.db2.gz RYNOMFMTIJOTAE-QWRGUYRKSA-N -1 3 367.855 0.481 10 0 FCAEHM CC(C)OCCS(=O)(=O)[N-]CC(=O)OCc1nnc(C2CCC2)n1C ZINC000783164188 668601060 /nfs/dbraw/zinc/60/10/60/668601060.db2.gz XBVXEAWDAXJZJU-UHFFFAOYSA-N -1 3 374.463 0.470 10 0 FCAEHM CNC(=O)NC(=O)CCN1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805788066 668733223 /nfs/dbraw/zinc/73/32/23/668733223.db2.gz GRRXNVRGKBECOU-QXEWZRGKSA-N -1 3 352.357 0.610 10 0 FCAEHM CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)C2CCN(C3CC3)CC2)cc1 ZINC000805910500 668871447 /nfs/dbraw/zinc/87/14/47/668871447.db2.gz VUNKIIBUMJAYGH-UHFFFAOYSA-N -1 3 365.455 0.726 10 0 FCAEHM COC[C@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)C(N)=O ZINC000790248001 668873625 /nfs/dbraw/zinc/87/36/25/668873625.db2.gz XMHPGWOMKVOXIP-ZETCQYMHSA-N -1 3 371.640 0.881 10 0 FCAEHM C[C@@H](CC(=O)Nc1cn(C)nn1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000794603998 668985618 /nfs/dbraw/zinc/98/56/18/668985618.db2.gz AMHDZKFGGMBAIK-QMMMGPOBSA-N -1 3 358.811 0.559 10 0 FCAEHM NC(=O)C1=NO[C@H](C[N-]S(=O)(=O)c2cnccc2C(F)(F)F)C1 ZINC000795173014 669018125 /nfs/dbraw/zinc/01/81/25/669018125.db2.gz DCONESGORLDCST-LURJTMIESA-N -1 3 352.294 0.009 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)O[C@@H]1CCN(C(C)(C)C)C1=O ZINC000820162522 669062045 /nfs/dbraw/zinc/06/20/45/669062045.db2.gz WFXQWVPVQGEXKI-LLVKDONJSA-N -1 3 373.431 0.512 10 0 FCAEHM COc1ncc(S(=O)(=O)[N-][C@@H]2CCCN(c3ncccn3)C2)s1 ZINC000820786499 669126352 /nfs/dbraw/zinc/12/63/52/669126352.db2.gz KLBNZJKBTPAASB-SNVBAGLBSA-N -1 3 355.445 0.889 10 0 FCAEHM CNC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867034020 669165366 /nfs/dbraw/zinc/16/53/66/669165366.db2.gz PLAGMQQXMMTEOQ-SFYZADRCSA-N -1 3 365.253 0.376 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](CO)c2cccnc2)ccc1F ZINC000807851002 669521240 /nfs/dbraw/zinc/52/12/40/669521240.db2.gz NDHZMOSZSZPCNN-CYBMUJFWSA-N -1 3 367.402 0.635 10 0 FCAEHM O=S(=O)(Cc1ccccc1)NCC[N-]S(=O)(=O)c1cscn1 ZINC000826984936 669530772 /nfs/dbraw/zinc/53/07/72/669530772.db2.gz WIDZZCWKBGNJEU-UHFFFAOYSA-N -1 3 361.470 0.541 10 0 FCAEHM Cn1c(=O)[nH]cc(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1=O ZINC000812276106 669794640 /nfs/dbraw/zinc/79/46/40/669794640.db2.gz HXWUJSGUAZYCMH-MRVPVSSYSA-N -1 3 362.308 0.017 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H]1CCCN(CCCO)C1 ZINC000831810659 669869318 /nfs/dbraw/zinc/86/93/18/669869318.db2.gz UQAAFFLQTFBZFE-NSHDSACASA-N -1 3 350.872 0.507 10 0 FCAEHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cn(C)c(Cl)n2)[C@@H]1n1cccn1 ZINC000815110164 669900332 /nfs/dbraw/zinc/90/03/32/669900332.db2.gz GATRXKNEJJWZFY-UMNHJUIQSA-N -1 3 359.839 0.967 10 0 FCAEHM C[C@H](C[C@H](C)O)[N-]S(=O)(=O)c1cnn(C)c1I ZINC000867090787 669933359 /nfs/dbraw/zinc/93/33/59/669933359.db2.gz RRYABYQWSJZADY-RQJHMYQMSA-N -1 3 373.216 0.462 10 0 FCAEHM COC(=O)c1cc(C(=O)OCc2cn([C@@H]3COC[C@H]3OC)nn2)c[n-]1 ZINC000816090009 669939497 /nfs/dbraw/zinc/93/94/97/669939497.db2.gz SNGGSAYQAZZIDN-CHWSQXEVSA-N -1 3 350.331 0.336 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@@H]2CCn3ccnc3C2)c(Br)n1 ZINC000867129355 670005882 /nfs/dbraw/zinc/00/58/82/670005882.db2.gz RKZGWALBODJVJF-MRVPVSSYSA-N -1 3 360.237 0.672 10 0 FCAEHM COCCN1CC[C@@H]([N-]S(=O)(=O)c2cn(C)nc2Br)C1 ZINC000867147727 670020146 /nfs/dbraw/zinc/02/01/46/670020146.db2.gz KPFXMSOPIWCPGC-SECBINFHSA-N -1 3 367.269 0.182 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CC2(C1)CNC(=O)O2 ZINC000817681224 670027413 /nfs/dbraw/zinc/02/74/13/670027413.db2.gz CLMCDICEHKVYFV-UHFFFAOYSA-N -1 3 365.820 0.001 10 0 FCAEHM Cc1cc(N2CCC[C@@H]([N-]S(=O)(=O)c3ccc(C)nn3)C2)n(C)n1 ZINC000867196222 670065124 /nfs/dbraw/zinc/06/51/24/670065124.db2.gz SQJPFCAYRAXOSW-CYBMUJFWSA-N -1 3 350.448 0.774 10 0 FCAEHM C[C@H]1OCC[C@@]1(O)C[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867207877 670074805 /nfs/dbraw/zinc/07/48/05/670074805.db2.gz WTRJZHZRMKGBBT-GMSGAONNSA-N -1 3 354.226 0.001 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CC2([S@](C)=O)CC2)c(Br)n1 ZINC000867227879 670093244 /nfs/dbraw/zinc/09/32/44/670093244.db2.gz CEOWUTNIXJFINM-KRWDZBQOSA-N -1 3 356.267 0.372 10 0 FCAEHM COC(=O)C1(COC(=O)c2ccc(S(=O)(=O)[N-]CCO)s2)CC1 ZINC000837543053 670114342 /nfs/dbraw/zinc/11/43/42/670114342.db2.gz WXIDXVKKFUFQGA-UHFFFAOYSA-N -1 3 363.413 0.129 10 0 FCAEHM Cn1cnc(CCNC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c1 ZINC000837717041 670126389 /nfs/dbraw/zinc/12/63/89/670126389.db2.gz ILSXBHMPQAMFJJ-UHFFFAOYSA-N -1 3 366.418 0.972 10 0 FCAEHM CO[C@H](C[N-]S(=O)(=O)c1cnn(C)c1Br)[C@H]1CCOC1 ZINC000867496591 670139299 /nfs/dbraw/zinc/13/92/99/670139299.db2.gz FVSPQJIBLXDEAL-DTWKUNHWSA-N -1 3 368.253 0.512 10 0 FCAEHM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1C[C@H](C)N(CCO)C[C@H]1C ZINC000841458437 670562346 /nfs/dbraw/zinc/56/23/46/670562346.db2.gz ZOLCMBDKJNQDBS-TUAOUCFPSA-N -1 3 353.385 0.603 10 0 FCAEHM C[C@@H](CC(=O)N1CN(C)C(=O)[C@@H]1C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000844103581 670896156 /nfs/dbraw/zinc/89/61/56/670896156.db2.gz QIGNQRFTLGZSEF-UWVGGRQHSA-N -1 3 374.850 0.439 10 0 FCAEHM CCN1CCN(CC(C)(C)[N-]S(=O)(=O)N=[S@](C)(=O)CC)CC1 ZINC000867373248 670950292 /nfs/dbraw/zinc/95/02/92/670950292.db2.gz USESHVCKRQLWBL-OAQYLSRUSA-N -1 3 354.542 0.355 10 0 FCAEHM O=C([N-]CC1CCN(C(=O)NCC[C@@]2(O)CCOC2)CC1)C(F)(F)F ZINC000845456240 671006666 /nfs/dbraw/zinc/00/66/66/671006666.db2.gz XBNHNQDPSZTSGK-CQSZACIVSA-N -1 3 367.368 0.628 10 0 FCAEHM CCON(C)C(=O)C[N-]S(=O)(=O)CC1(C(=O)OC)CCCCC1 ZINC000846007291 671067534 /nfs/dbraw/zinc/06/75/34/671067534.db2.gz FMHLILVLGGWUAF-UHFFFAOYSA-N -1 3 350.437 0.439 10 0 FCAEHM CCON(C)C(=O)CNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000846504775 671119712 /nfs/dbraw/zinc/11/97/12/671119712.db2.gz OEYYZAQWOGQSHY-UHFFFAOYSA-N -1 3 369.852 0.206 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)OCc2nnn(C(C)(C)C)n2)c(C)o1 ZINC000848002794 671240663 /nfs/dbraw/zinc/24/06/63/671240663.db2.gz JJVGISISGAOWCN-UHFFFAOYSA-N -1 3 357.392 0.595 10 0 FCAEHM COC[C@H]([N-]S(=O)(=O)Cc1cccc(Br)c1C)C(N)=O ZINC000848447084 671276032 /nfs/dbraw/zinc/27/60/32/671276032.db2.gz HYFJSYKQHGCQKV-NSHDSACASA-N -1 3 365.249 0.677 10 0 FCAEHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]CC[C@]2(O)CCOC2)c1 ZINC000848461079 671278486 /nfs/dbraw/zinc/27/84/86/671278486.db2.gz SIIZURQGZVBFNV-HNNXBMFYSA-N -1 3 361.391 0.741 10 0 FCAEHM C[C@@H](C[N-]S(=O)(=O)c1cn(C)c(Cl)n1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848475770 671279547 /nfs/dbraw/zinc/27/95/47/671279547.db2.gz RKGPZVUFXXPUCL-GARJFASQSA-N -1 3 350.872 0.850 10 0 FCAEHM CCN1C[C@H](COC(=O)c2ccc(F)c(S(=O)(=O)[N-]C)c2)OC1=O ZINC000848729501 671293471 /nfs/dbraw/zinc/29/34/71/671293471.db2.gz ZMQXTZPRRADYSQ-SNVBAGLBSA-N -1 3 360.363 0.731 10 0 FCAEHM O=S(=O)([N-]C[C@@]1(OCCO)CCOC1)c1cnc(Cl)c(Cl)c1 ZINC000849428380 671342255 /nfs/dbraw/zinc/34/22/55/671342255.db2.gz XMDYHZOAKLSOGM-LBPRGKRZSA-N -1 3 371.242 0.835 10 0 FCAEHM COC(=O)[C@@H]([N-]S(=O)(=O)CCCOC(C)=O)c1cccc(OC)c1 ZINC000849432385 671342954 /nfs/dbraw/zinc/34/29/54/671342954.db2.gz DSLZXUWSFDDXFF-AWEZNQCLSA-N -1 3 359.400 0.782 10 0 FCAEHM Cc1cc(NC(=O)C(=O)[N-]N2CC(=O)N(C)C2=O)cnc1C(F)(F)F ZINC000850433073 671383393 /nfs/dbraw/zinc/38/33/93/671383393.db2.gz IRLQZTZGMOXDEW-UHFFFAOYSA-N -1 3 359.264 0.273 10 0 FCAEHM CO[C@H](C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)[C@H]1CCOC1 ZINC000854528021 671582194 /nfs/dbraw/zinc/58/21/94/671582194.db2.gz XEQXQKZLBKMGMC-SRVKXCTJSA-N -1 3 352.353 0.955 10 0 FCAEHM CO[C@H](C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)[C@@H]1CCOC1 ZINC000854528022 671582225 /nfs/dbraw/zinc/58/22/25/671582225.db2.gz XEQXQKZLBKMGMC-TUAOUCFPSA-N -1 3 352.353 0.955 10 0 FCAEHM CO[C@H](C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)[C@@H]1CCOC1 ZINC000854528023 671582302 /nfs/dbraw/zinc/58/23/02/671582302.db2.gz XEQXQKZLBKMGMC-UTUOFQBUSA-N -1 3 352.353 0.955 10 0 FCAEHM Cc1nc(C)c(CC(=O)N[C@@]2(C(=O)OC(C)(C)C)CCOC2)c(=O)[n-]1 ZINC000855640975 671656937 /nfs/dbraw/zinc/65/69/37/671656937.db2.gz RFKWOPRKPWQLCN-KRWDZBQOSA-N -1 3 351.403 0.959 10 0 FCAEHM COC(=O)C1CC2(C1)CN(CC(=O)N1CCC[C@H](C)C1)C[C@H]2C(=O)[O-] ZINC000903413955 675929318 /nfs/dbraw/zinc/92/93/18/675929318.db2.gz CGTPGOGETXQRSV-FMHYQEOESA-N -1 3 352.431 0.831 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N[C@H]1C[C@H](O)c2ccccc21 ZINC000857318526 671724974 /nfs/dbraw/zinc/72/49/74/671724974.db2.gz QNUFPNBETMJMLI-KBPBESRZSA-N -1 3 365.411 0.864 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]CCOCCS(C)(=O)=O)c(F)c1F ZINC000859019299 671789679 /nfs/dbraw/zinc/78/96/79/671789679.db2.gz NQZRJGOQFZTBDU-UHFFFAOYSA-N -1 3 357.400 0.613 10 0 FCAEHM CC1(C)C[C@@H](S(=O)(=O)[N-]N2C(=O)N[C@](C)(c3ccccc3)C2=O)CO1 ZINC000859135430 671795720 /nfs/dbraw/zinc/79/57/20/671795720.db2.gz ULGRZACROKUMJE-MLGOLLRUSA-N -1 3 367.427 0.856 10 0 FCAEHM CCON(CC)C(=O)C[N-]S(=O)(=O)CC1(OCC)CCOCC1 ZINC000859272948 671806766 /nfs/dbraw/zinc/80/67/66/671806766.db2.gz YEUXLKJNMWRGLJ-UHFFFAOYSA-N -1 3 352.453 0.292 10 0 FCAEHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1COCCN1C ZINC000859335690 671816127 /nfs/dbraw/zinc/81/61/27/671816127.db2.gz FQPGFJHIOAUUTC-VIFPVBQESA-N -1 3 363.823 0.131 10 0 FCAEHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@@H]2COCCN2C)c1 ZINC000859335679 671816144 /nfs/dbraw/zinc/81/61/44/671816144.db2.gz FNVNSZOOJORJTM-GFCCVEGCSA-N -1 3 360.407 0.611 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)OCc1cc(Cl)n(C)n1 ZINC000859462454 671828882 /nfs/dbraw/zinc/82/88/82/671828882.db2.gz WOVODGDJDQTHGX-UHFFFAOYSA-N -1 3 362.795 0.700 10 0 FCAEHM O=C(COC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)[N-]C(=O)c1cccs1 ZINC000859919218 671854384 /nfs/dbraw/zinc/85/43/84/671854384.db2.gz IQHXKVMWXMZVQW-VHJICNHVSA-N -1 3 365.363 0.268 10 0 FCAEHM Cn1[n-]c(CN2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(F)(F)F)nc1=O ZINC000860049816 671865767 /nfs/dbraw/zinc/86/57/67/671865767.db2.gz IUIPHIZEZBMYBZ-VLEAKVRGSA-N -1 3 359.352 0.340 10 0 FCAEHM CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000861740636 671989204 /nfs/dbraw/zinc/98/92/04/671989204.db2.gz UEGDUEHSQUNVDT-YPMHNXCESA-N -1 3 354.407 0.441 10 0 FCAEHM O=C(NC[C@@H](O)[C@H]1CCCO1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000862651845 672062664 /nfs/dbraw/zinc/06/26/64/672062664.db2.gz PUCBJXYPLIPOMU-ZIAGYGMSSA-N -1 3 372.418 0.536 10 0 FCAEHM CC(C)(C)OC(=O)NC1(CNC(=O)c2cc(=O)[n-]cn2)CCOCC1 ZINC000862813928 672078546 /nfs/dbraw/zinc/07/85/46/672078546.db2.gz UTJKHXNHFMTDNH-UHFFFAOYSA-N -1 3 352.391 0.986 10 0 FCAEHM CCOC(=O)C1=CC[C@H](NC(=O)C[N-]S(=O)(=O)c2c(C)noc2C)C1 ZINC000863938478 672162881 /nfs/dbraw/zinc/16/28/81/672162881.db2.gz FAQOBMIIUAEMCI-LBPRGKRZSA-N -1 3 371.415 0.338 10 0 FCAEHM O=C([O-])CN1CCC(NS(=O)(=O)c2cccc3c2OCCC3)CC1 ZINC000864500494 672198059 /nfs/dbraw/zinc/19/80/59/672198059.db2.gz AMBYUHPOSLUNIF-UHFFFAOYSA-N -1 3 354.428 0.839 10 0 FCAEHM O=C([N-]C[C@@H]1CC(C(F)(F)F)=NO1)C(F)(F)C(=O)N1CCOCC1 ZINC000866059952 672262010 /nfs/dbraw/zinc/26/20/10/672262010.db2.gz XGGJQTYNNLNUCW-ZETCQYMHSA-N -1 3 359.251 0.304 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-]C[C@@H]2CCCO2)c1I ZINC000866373754 672269375 /nfs/dbraw/zinc/26/93/75/672269375.db2.gz RPFMTYVMYXNHHO-ZETCQYMHSA-N -1 3 371.200 0.482 10 0 FCAEHM CCN1CCC[C@@H]1C[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000866393898 672270631 /nfs/dbraw/zinc/27/06/31/672270631.db2.gz NKZCMIWWDUTPLV-SECBINFHSA-N -1 3 351.270 0.945 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-]Cc2cc[nH]n2)c1I ZINC000866493225 672278071 /nfs/dbraw/zinc/27/80/71/672278071.db2.gz YEVIFSYJHHUGRO-UHFFFAOYSA-N -1 3 367.172 0.226 10 0 FCAEHM C[C@H]1C[C@H]1C[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866494947 672278294 /nfs/dbraw/zinc/27/82/94/672278294.db2.gz UXEDADRYKFQITI-BQBZGAKWSA-N -1 3 355.201 0.959 10 0 FCAEHM O=S(=O)(Cc1ncsc1Br)[N-]C[C@@H]1COCCO1 ZINC000866559837 672282395 /nfs/dbraw/zinc/28/23/95/672282395.db2.gz MNBXPWIIXHAMKY-SSDOTTSWSA-N -1 3 357.251 0.740 10 0 FCAEHM COC(=O)CCCC[N-]S(=O)(=O)c1cnn(C)c1Br ZINC000866615349 672284753 /nfs/dbraw/zinc/28/47/53/672284753.db2.gz CYMBJPOYVLGNEX-UHFFFAOYSA-N -1 3 354.226 0.804 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CC(=O)OC(C)(C)C)c(Br)n1 ZINC000866794688 672306729 /nfs/dbraw/zinc/30/67/29/672306729.db2.gz OAURQZBGFCDNCU-UHFFFAOYSA-N -1 3 354.226 0.803 10 0 FCAEHM COC(=O)c1ccoc1S(=O)(=O)[N-]C1CCN(C[C@H]2CCCO2)CC1 ZINC000866791805 672306026 /nfs/dbraw/zinc/30/60/26/672306026.db2.gz LBADBFVCZGYREI-CYBMUJFWSA-N -1 3 372.443 0.988 10 0 FCAEHM CCN1C[C@@H](S(=O)(=O)[N-][C@H](C)C(=O)OCc2ccccc2)CC1=O ZINC000867483105 672323676 /nfs/dbraw/zinc/32/36/76/672323676.db2.gz OSZOXNRCIHKBHO-OCCSQVGLSA-N -1 3 354.428 0.659 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@@H]2C[C@@H](O)C23CCC3)c(Br)n1 ZINC000867519012 672330181 /nfs/dbraw/zinc/33/01/81/672330181.db2.gz MDNKDRUEKCMGFD-RKDXNWHRSA-N -1 3 350.238 0.764 10 0 FCAEHM COC(=O)C1=CC[C@@H]([N-]S(=O)(=O)c2cn(C)nc2Br)C1 ZINC000867556811 672336369 /nfs/dbraw/zinc/33/63/69/672336369.db2.gz HPCDBRANMBXRAI-MRVPVSSYSA-N -1 3 364.221 0.723 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)c(Br)n1 ZINC000867608636 672347625 /nfs/dbraw/zinc/34/76/25/672347625.db2.gz BGQZVAMGNSJMGY-ASJMHXKMSA-N -1 3 362.249 0.884 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-]C2(C)COC2)c1I ZINC000867629805 672350670 /nfs/dbraw/zinc/35/06/70/672350670.db2.gz FSODMXSMSBSOET-UHFFFAOYSA-N -1 3 357.173 0.092 10 0 FCAEHM O=C1OC[C@@]2(C[N-]S(=O)(=O)c3ccc(Cl)s3)COCCN12 ZINC000867751426 672363772 /nfs/dbraw/zinc/36/37/72/672363772.db2.gz MNLKKZYHEDDOIK-LLVKDONJSA-N -1 3 352.821 0.901 10 0 FCAEHM O=C(NCC[C@@H](O)C(F)F)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC000870421722 672491386 /nfs/dbraw/zinc/49/13/86/672491386.db2.gz LRGAWZCMTKGWES-SNVBAGLBSA-N -1 3 357.288 0.620 10 0 FCAEHM O=C(NCC[C@@H](O)C(F)F)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000870421722 672491390 /nfs/dbraw/zinc/49/13/90/672491390.db2.gz LRGAWZCMTKGWES-SNVBAGLBSA-N -1 3 357.288 0.620 10 0 FCAEHM CN(C)CCn1nccc1[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000872004513 672593558 /nfs/dbraw/zinc/59/35/58/672593558.db2.gz JJHYXSDWJSCVNA-UHFFFAOYSA-N -1 3 366.369 0.998 10 0 FCAEHM O=C1C[C@H](S(=O)(=O)[N-]C[C@]2(C(F)(F)F)CCCN2)CN1C1CC1 ZINC000923685851 673466669 /nfs/dbraw/zinc/46/66/69/673466669.db2.gz PDRIWLXGUQCXLY-JQWIXIFHSA-N -1 3 355.382 0.354 10 0 FCAEHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@H]1CNOC1 ZINC000923726138 673738696 /nfs/dbraw/zinc/73/86/96/673738696.db2.gz IAHRSHIGAHHLPK-ZETCQYMHSA-N -1 3 355.185 0.779 10 0 FCAEHM COC(=O)CC(C)(C)CNC(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000925004738 673773601 /nfs/dbraw/zinc/77/36/01/673773601.db2.gz CTIRSZFELYFJGS-UHFFFAOYSA-N -1 3 353.341 0.896 10 0 FCAEHM CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1nnc2ccccc2c1[O-] ZINC000800668928 675689800 /nfs/dbraw/zinc/68/98/00/675689800.db2.gz YPTDREPRECEFTF-JQWIXIFHSA-N -1 3 364.427 0.783 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCO[C@@H](C(F)F)C1 ZINC000801115496 675738951 /nfs/dbraw/zinc/73/89/51/675738951.db2.gz RDPHHEKBWCGEBP-SSDOTTSWSA-N -1 3 368.134 0.204 10 0 FCAEHM C[C@@H]1OCCO[C@@H]1C(=O)NCCCCCCNC(=O)c1cnc[n-]c1=O ZINC001687131578 1167986760 /nfs/dbraw/zinc/98/67/60/1167986760.db2.gz URWLLOMSCKNTEC-JSGCOSHPSA-N -1 3 366.418 0.393 10 0 FCAEHM CO[C@@H](C)CCC(=O)N1C[C@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@@]2(C)C1 ZINC001719680572 1179345495 /nfs/dbraw/zinc/34/54/95/1179345495.db2.gz NABIFMOWRNGWRH-ZJNRKIDTSA-N -1 3 362.430 0.918 10 0 FCAEHM CCOCC(=O)NC[C@@H]1CN(C(=O)CCc2c(C)nc[n-]c2=O)C[C@H]1C ZINC001719697354 1179470687 /nfs/dbraw/zinc/47/06/87/1179470687.db2.gz VDLUYOGKIISVLX-TZMCWYRMSA-N -1 3 364.446 0.670 10 0 FCAEHM COCC1(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cnc[n-]c2=O)CC1 ZINC001719823988 1186072774 /nfs/dbraw/zinc/07/27/74/1186072774.db2.gz KREOPVQZHOABIZ-XBFCOCLRSA-N -1 3 360.414 0.861 10 0 FCAEHM Cn1cncc1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O ZINC001719854555 1186474654 /nfs/dbraw/zinc/47/46/54/1186474654.db2.gz DUOFHMOUOQUYIM-UGFHNGPFSA-N -1 3 370.413 0.410 10 0 FCAEHM COC(=O)[C@@H]1CCCN(CC(=O)Nc2cccc(Cc3nnn[n-]3)c2)C1=O ZINC001625917167 1186521221 /nfs/dbraw/zinc/52/12/21/1186521221.db2.gz SAJVSGLNUWWSIV-CYBMUJFWSA-N -1 3 372.385 0.141 10 0 FCAEHM COC(=O)[C@@H]1CCCN(CC(=O)Nc2cccc(Cc3nn[n-]n3)c2)C1=O ZINC001625917167 1186521222 /nfs/dbraw/zinc/52/12/22/1186521222.db2.gz SAJVSGLNUWWSIV-CYBMUJFWSA-N -1 3 372.385 0.141 10 0 FCAEHM CC(C)[C@@H](CNC(=O)[C@@H]1CCO[C@H]1C1CC1)NC(=O)c1cnc[n-]c1=O ZINC001746843227 1187907053 /nfs/dbraw/zinc/90/70/53/1187907053.db2.gz SAYQWRDHPWHEPU-YUELXQCFSA-N -1 3 362.430 0.868 10 0 FCAEHM CC(C)[C@@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)NCc1nc(=O)n(C)[n-]1 ZINC001482543147 1190759025 /nfs/dbraw/zinc/75/90/25/1190759025.db2.gz BJDMERJSCNEJQV-RMRHIDDWSA-N -1 3 351.451 0.154 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)c3cccn(C4CC4)c3=O)CC2)n1 ZINC000899491966 1194161446 /nfs/dbraw/zinc/16/14/46/1194161446.db2.gz AWYOTOMVSCZKBL-UHFFFAOYSA-N -1 3 355.398 0.950 10 0 FCAEHM O=Cc1ccc(OC(F)(F)C(=O)[N-][C@@H]2C(=O)NCC23CCOCC3)cc1 ZINC000923948295 1194284475 /nfs/dbraw/zinc/28/44/75/1194284475.db2.gz MXTRMWDXZLSQEN-CYBMUJFWSA-N -1 3 368.336 0.882 10 0 FCAEHM Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CCC(=O)NCCCc1c[n-][nH]c1=O ZINC001168402605 1196642772 /nfs/dbraw/zinc/64/27/72/1196642772.db2.gz FABCHEUOVYUSQC-GFCCVEGCSA-N -1 3 372.429 0.439 10 0 FCAEHM CCOC(=O)[C@H](NC(=O)c1cc2c(cc1[O-])OCO2)[C@@H](O)c1ccncc1 ZINC001169735772 1199089715 /nfs/dbraw/zinc/08/97/15/1199089715.db2.gz OACDPNNSFSECRT-CVEARBPZSA-N -1 3 374.349 0.911 10 0 FCAEHM Cc1ccc(N2CCNC2=O)cc1NC(=O)C(=O)NCc1ncccc1[O-] ZINC000792412348 1201193561 /nfs/dbraw/zinc/19/35/61/1201193561.db2.gz ATBFPYJKXBDUCR-UHFFFAOYSA-N -1 3 369.381 0.880 10 0 FCAEHM COC(=O)[C@H]1[C@@H]2CN(C(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])C[C@@H]21 ZINC000816958884 1203083617 /nfs/dbraw/zinc/08/36/17/1203083617.db2.gz JLKALYCVQUFKHO-KNCOVGOOSA-N -1 3 358.394 0.874 10 0 FCAEHM CN1CC2(CN(C(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])C2)OC1=O ZINC000817653193 1203111351 /nfs/dbraw/zinc/11/13/51/1203111351.db2.gz QUODUTQPEUKVNK-CYBMUJFWSA-N -1 3 359.382 0.660 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001136653866 1203243961 /nfs/dbraw/zinc/24/39/61/1203243961.db2.gz KDVYHRGNRQBOEN-CHWSQXEVSA-N -1 3 368.434 0.641 10 0 FCAEHM CC(C)(C)OC(=O)NCc1cc(=O)[n-]c(CNC(=O)N2CC(CO)C2)n1 ZINC000824012977 1203280431 /nfs/dbraw/zinc/28/04/31/1203280431.db2.gz ACQCAOAXBBYHEZ-UHFFFAOYSA-N -1 3 367.406 0.341 10 0 FCAEHM CCN(OC)C(=O)CNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC000844064413 1203333383 /nfs/dbraw/zinc/33/33/83/1203333383.db2.gz UIUOVZOFYNTNRA-UHFFFAOYSA-N -1 3 364.333 0.014 10 0 FCAEHM CCN(OC)C(=O)CNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000844064413 1203333387 /nfs/dbraw/zinc/33/33/87/1203333387.db2.gz UIUOVZOFYNTNRA-UHFFFAOYSA-N -1 3 364.333 0.014 10 0 FCAEHM CCN(OC)C(=O)CNC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000844067977 1203333722 /nfs/dbraw/zinc/33/37/22/1203333722.db2.gz GPDKBVYANHAQAW-UHFFFAOYSA-N -1 3 373.413 0.599 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)c3cnc4[nH]c(=O)[nH]c4c3)CC2)n1 ZINC001178039108 1206351941 /nfs/dbraw/zinc/35/19/41/1206351941.db2.gz NCDLOFKUIJRFLV-UHFFFAOYSA-N -1 3 355.358 0.430 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)c3ccc4c(c3)NC(=O)CO4)CC2)n1 ZINC001178038697 1206351996 /nfs/dbraw/zinc/35/19/96/1206351996.db2.gz FNGVNWIBXMZVRQ-UHFFFAOYSA-N -1 3 369.381 0.784 10 0 FCAEHM COc1ccc(NC(=O)C(=O)N2CCN(c3nc(C)cc(=O)[n-]3)CC2)cc1 ZINC001178039534 1206352100 /nfs/dbraw/zinc/35/21/00/1206352100.db2.gz XNJXQYVJZFAHTK-UHFFFAOYSA-N -1 3 371.397 0.787 10 0 FCAEHM O=C(Cn1cc(-c2ccccc2)nn1)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001180027115 1206387783 /nfs/dbraw/zinc/38/77/83/1206387783.db2.gz DPBITEKQUHPPHL-AWEZNQCLSA-N -1 3 365.397 0.836 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)[C@H]1CNC(=O)c2ccccc21 ZINC001180027153 1206387924 /nfs/dbraw/zinc/38/79/24/1206387924.db2.gz FLLUSKXNPBMYAE-FZMZJTMJSA-N -1 3 353.382 0.404 10 0 FCAEHM O=C(CNC(=O)c1cccc(F)c1)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001180028446 1206388000 /nfs/dbraw/zinc/38/80/00/1206388000.db2.gz QXMHDKGSTCCULJ-CYBMUJFWSA-N -1 3 359.361 0.446 10 0 FCAEHM O=C(N[C@@H]1CN(CCOCCO)C[C@H]1c1ccccc1)c1ncccc1[O-] ZINC001488884550 1208572116 /nfs/dbraw/zinc/57/21/16/1208572116.db2.gz BNPJUBCFNSPNAC-DLBZAZTESA-N -1 3 371.437 0.994 10 0 FCAEHM CO[C@H](C(=O)NC[C@H]1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1)c1cnn(C)c1 ZINC001488938570 1208578361 /nfs/dbraw/zinc/57/83/61/1208578361.db2.gz JMNWGOBRZMOMNK-SUHUHFCYSA-N -1 3 363.422 0.006 10 0 FCAEHM O=C(NCC(F)F)C(=O)N1CC[C@H]2CN(C(=O)c3ccccc3[O-])C[C@H]21 ZINC001489250661 1208691390 /nfs/dbraw/zinc/69/13/90/1208691390.db2.gz JSYUIJLAZDUARA-CMPLNLGQSA-N -1 3 367.352 0.446 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@H]1CCN(CC(=O)N[C@H](C)C(C)C)[C@@H]1C ZINC001489285408 1208716697 /nfs/dbraw/zinc/71/66/97/1208716697.db2.gz IFJZTSCCXUHITA-BNOWGMLFSA-N -1 3 363.462 0.844 10 0 FCAEHM CC[C@@H](F)C(=O)N[C@@H]1CN(C(=O)CCc2c(C)nc[n-]c2=O)C[C@H]1OC ZINC001489536621 1208897996 /nfs/dbraw/zinc/89/79/96/1208897996.db2.gz IAUXTPMYLWONOD-MGPQQGTHSA-N -1 3 368.409 0.513 10 0 FCAEHM Cc1n[nH]c(C(=O)N[C@@H]2CC[C@H](CNC(=O)C3(N(C)C)CCC3)C2)c1[O-] ZINC001489883819 1209103057 /nfs/dbraw/zinc/10/30/57/1209103057.db2.gz RZRBQTZMOMIAFT-QWHCGFSZSA-N -1 3 363.462 0.923 10 0 FCAEHM COC[C@@H](OC)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001489905709 1209147453 /nfs/dbraw/zinc/14/74/53/1209147453.db2.gz IBTHGBGFDBBVIO-YNEHKIRRSA-N -1 3 366.418 0.167 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)NCc1nc(CNC(=O)C(C)C)cc(=O)[n-]1 ZINC001489968251 1209185016 /nfs/dbraw/zinc/18/50/16/1209185016.db2.gz DLDARCIHXUSWRU-OLZOCXBDSA-N -1 3 350.419 0.886 10 0 FCAEHM CN(CCOCCN(C)C(=O)[C@H]1C[C@H]1C(N)=O)C(=O)c1ccccc1[O-] ZINC001490052697 1209228604 /nfs/dbraw/zinc/22/86/04/1209228604.db2.gz HBHGZPCXUQBWAD-KGLIPLIRSA-N -1 3 363.414 0.061 10 0 FCAEHM CCO[C@H](CC)C(=O)N1C[C@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@@]2(C)C1 ZINC001490210651 1209272373 /nfs/dbraw/zinc/27/23/73/1209272373.db2.gz BYIDDSGLZHCHHP-DFHBCGBQSA-N -1 3 362.430 0.918 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1CNC(=O)CCn1ccnn1 ZINC001490287241 1209298647 /nfs/dbraw/zinc/29/86/47/1209298647.db2.gz OWHUIFDXECRCGX-ZIAGYGMSSA-N -1 3 357.414 0.898 10 0 FCAEHM CC(C)(C)OC(=O)NCc1cc(=O)[n-]c(CNC(=O)NCC2COC2)n1 ZINC000858625537 1209797487 /nfs/dbraw/zinc/79/74/87/1209797487.db2.gz VIJKTDUFWWVWBU-UHFFFAOYSA-N -1 3 367.406 0.653 10 0 FCAEHM CCON(CC)C(=O)CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000862622169 1209915877 /nfs/dbraw/zinc/91/58/77/1209915877.db2.gz FWKBQLNYKKMDJQ-CQSZACIVSA-N -1 3 363.414 0.913 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])N1CC(OCC(F)F)C1 ZINC001137126879 1210453474 /nfs/dbraw/zinc/45/34/74/1210453474.db2.gz DRMBFIRKLJOUGB-UHFFFAOYSA-N -1 3 369.299 0.980 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c([O-])cc1=O)N1CC(OCC(F)F)C1 ZINC001137126879 1210453476 /nfs/dbraw/zinc/45/34/76/1210453476.db2.gz DRMBFIRKLJOUGB-UHFFFAOYSA-N -1 3 369.299 0.980 10 0 FCAEHM CS(=O)(=O)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccccc1[O-] ZINC001490827740 1211445635 /nfs/dbraw/zinc/44/56/35/1211445635.db2.gz FWLJUOSYSOOZKD-BNOWGMLFSA-N -1 3 366.439 0.689 10 0 FCAEHM CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000926361262 1211539371 /nfs/dbraw/zinc/53/93/71/1211539371.db2.gz QNXZUBFIJLIFKC-FXUDXRNXSA-N -1 3 363.458 0.641 10 0 FCAEHM Cn1cc(/C=C\C(=O)Nc2cccc(-c3nc([O-])n[nH]3)c2)c(=O)n(C)c1=O ZINC000803409011 1218401023 /nfs/dbraw/zinc/40/10/23/1218401023.db2.gz RIJFLZBBFFJYRR-SREVYHEPSA-N -1 3 368.353 0.227 10 0 FCAEHM COC(=O)[C@]12CN(C(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)C[C@H]1COCC2 ZINC000478913721 1219128351 /nfs/dbraw/zinc/12/83/51/1219128351.db2.gz UUIGOVISDGXMTP-XTZNXHDOSA-N -1 3 373.365 0.614 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000799033004 1221299437 /nfs/dbraw/zinc/29/94/37/1221299437.db2.gz ZBPYDHFSOTZHFE-SNPRPXQTSA-N -1 3 373.409 0.954 10 0 FCAEHM CCOC(=O)[C@H]1c2ccoc2CCN1Cc1cc(=O)n2nc(N)[n-]c2n1 ZINC001118898293 1221841992 /nfs/dbraw/zinc/84/19/92/1221841992.db2.gz RJROBDAMCGYPNN-CYBMUJFWSA-N -1 3 358.358 0.255 10 0 FCAEHM CC(C)c1cc(N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)n2ncnc2n1 ZINC001118951443 1221849718 /nfs/dbraw/zinc/84/97/18/1221849718.db2.gz BAVJCHWZHLYJNS-KRWDZBQOSA-N -1 3 360.418 0.613 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)C3(N4CCOCC4)CC3)CC2)n1 ZINC001124049480 1222378047 /nfs/dbraw/zinc/37/80/47/1222378047.db2.gz VTZBMJRQSQMXBH-UHFFFAOYSA-N -1 3 361.446 0.440 10 0 FCAEHM COc1nnc(NC(=O)CN2Cc3c(cnn3-c3ccccc3)C2=O)[n-]1 ZINC001137567885 1222396216 /nfs/dbraw/zinc/39/62/16/1222396216.db2.gz RCWHVAYYIAHQKG-UHFFFAOYSA-N -1 3 353.342 0.594 10 0 FCAEHM COc1nc(NC(=O)CN2Cc3c(cnn3-c3ccccc3)C2=O)n[n-]1 ZINC001137567885 1222396223 /nfs/dbraw/zinc/39/62/23/1222396223.db2.gz RCWHVAYYIAHQKG-UHFFFAOYSA-N -1 3 353.342 0.594 10 0 FCAEHM COc1n[n-]c(NC(=O)CN2Cc3c(cnn3-c3ccccc3)C2=O)n1 ZINC001137567885 1222396227 /nfs/dbraw/zinc/39/62/27/1222396227.db2.gz RCWHVAYYIAHQKG-UHFFFAOYSA-N -1 3 353.342 0.594 10 0 FCAEHM CC(C)(C)OC(=O)N1CC(n2nncc2C(=O)[N-]N2CCCNC2=O)C1 ZINC001137992800 1222466614 /nfs/dbraw/zinc/46/66/14/1222466614.db2.gz NGWIOQNWAGYYEQ-UHFFFAOYSA-N -1 3 365.394 0.130 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])N1CC(F)(F)C[C@H]1CO ZINC000830534699 1222476643 /nfs/dbraw/zinc/47/66/43/1222476643.db2.gz FQJAILXAKUHARD-NSHDSACASA-N -1 3 369.299 0.716 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c([O-])cc1=O)N1CC(F)(F)C[C@H]1CO ZINC000830534699 1222476646 /nfs/dbraw/zinc/47/66/46/1222476646.db2.gz FQJAILXAKUHARD-NSHDSACASA-N -1 3 369.299 0.716 10 0 FCAEHM COc1nnc(NC(=O)[C@]2(F)CN(C(=O)OC(C)(C)C)CC23COC3)[n-]1 ZINC000831561108 1222498915 /nfs/dbraw/zinc/49/89/15/1222498915.db2.gz IWKNVGLCRAUGIK-OAHLLOKOSA-N -1 3 371.369 0.727 10 0 FCAEHM COc1nc(NC(=O)[C@]2(F)CN(C(=O)OC(C)(C)C)CC23COC3)n[n-]1 ZINC000831561108 1222498920 /nfs/dbraw/zinc/49/89/20/1222498920.db2.gz IWKNVGLCRAUGIK-OAHLLOKOSA-N -1 3 371.369 0.727 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@]2(F)CN(C(=O)OC(C)(C)C)CC23COC3)n1 ZINC000831561108 1222498924 /nfs/dbraw/zinc/49/89/24/1222498924.db2.gz IWKNVGLCRAUGIK-OAHLLOKOSA-N -1 3 371.369 0.727 10 0 FCAEHM O=C(Nc1ccc(O[C@H]2CC(=O)N2)cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC001140642615 1222602241 /nfs/dbraw/zinc/60/22/41/1222602241.db2.gz WNVIGWYXTQGPSH-AWEZNQCLSA-N -1 3 351.326 0.739 10 0 FCAEHM O=C(Nc1ccc(O[C@H]2CC(=O)N2)cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC001140642615 1222602243 /nfs/dbraw/zinc/60/22/43/1222602243.db2.gz WNVIGWYXTQGPSH-AWEZNQCLSA-N -1 3 351.326 0.739 10 0 FCAEHM C[C@H](O)[C@@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])CCO1 ZINC000840567220 1222794221 /nfs/dbraw/zinc/79/42/21/1222794221.db2.gz RRIQISGHHVHWLU-HZMBPMFUSA-N -1 3 363.345 0.096 10 0 FCAEHM C[C@H](O)[C@@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)CCO1 ZINC000840567220 1222794229 /nfs/dbraw/zinc/79/42/29/1222794229.db2.gz RRIQISGHHVHWLU-HZMBPMFUSA-N -1 3 363.345 0.096 10 0 FCAEHM CC(=O)N1CC[C@](C)(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3cn[n-]n3)C2)C1 ZINC001515159655 1265447699 /nfs/dbraw/zinc/44/76/99/1265447699.db2.gz BLRUSSSAZHTOHI-AHIWAGSCSA-N -1 3 362.434 0.078 10 0 FCAEHM CCC(=O)NCc1nc(CNC(=O)[C@@H]2C[C@H]2C2CCOCC2)cc(=O)[n-]1 ZINC001515365449 1265513284 /nfs/dbraw/zinc/51/32/84/1265513284.db2.gz KMMGIHGLBNUWEK-UONOGXRCSA-N -1 3 362.430 0.887 10 0 FCAEHM COC(=O)[C@H](c1cccc(OC)c1)N(C)Cc1cc(=O)n2nc(N)[n-]c2n1 ZINC001329492525 1265767489 /nfs/dbraw/zinc/76/74/89/1265767489.db2.gz WNNPKHKTRLTZCL-AWEZNQCLSA-N -1 3 372.385 0.355 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC001329606891 1265790065 /nfs/dbraw/zinc/79/00/65/1265790065.db2.gz DESNKYWWEAJGFP-UKRRQHHQSA-N -1 3 368.393 0.704 10 0 FCAEHM O=C(CC1(N2CCOCC2)CCCC1)NC[C@H](C(=O)[O-])[C@H]1CCOC1 ZINC001520198935 1265876176 /nfs/dbraw/zinc/87/61/76/1265876176.db2.gz FYRUOUOZWZYZPR-GJZGRUSLSA-N -1 3 354.447 0.875 10 0 FCAEHM CN1CCn2nc(C(=O)[N-]c3ncn(C(C)(C)C)n3)cc2S1(=O)=O ZINC001520300329 1265901272 /nfs/dbraw/zinc/90/12/72/1265901272.db2.gz NKAVNYBDTHDDDY-UHFFFAOYSA-N -1 3 353.408 0.116 10 0 FCAEHM O=S(=O)([N-][C@@H](CO)c1c(F)cccc1F)C1CCS(=O)(=O)CC1 ZINC001335332676 1259609705 /nfs/dbraw/zinc/60/97/05/1259609705.db2.gz HSBUYJGREPBBRI-LBPRGKRZSA-N -1 3 369.411 0.495 10 0 FCAEHM CC(=O)NC[C@H]1CCCN(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)C1 ZINC001251450776 1259748177 /nfs/dbraw/zinc/74/81/77/1259748177.db2.gz GMIAPAYUAJPXJP-KGLIPLIRSA-N -1 3 362.434 0.319 10 0 FCAEHM COc1ccnc(CNC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)c1F ZINC001253242581 1259830369 /nfs/dbraw/zinc/83/03/69/1259830369.db2.gz KZPKWCJKWSOBJD-JTQLQIEISA-N -1 3 362.365 0.803 10 0 FCAEHM C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CCNC(=O)c1nnc2ccccc2c1[O-] ZINC001522028108 1266310250 /nfs/dbraw/zinc/31/02/50/1266310250.db2.gz JWYHVCULBCOFSC-GHMZBOCLSA-N -1 3 371.397 0.035 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)CCNC(N)=O)CCN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001264730421 1260405559 /nfs/dbraw/zinc/40/55/59/1260405559.db2.gz ARCABEWCFBOVOS-MFKMUULPSA-N -1 3 362.434 0.197 10 0 FCAEHM C[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccccc1[O-])NC(N)=O ZINC001522151901 1266373939 /nfs/dbraw/zinc/37/39/39/1266373939.db2.gz CUDCMPTZDGUEOD-RFHZTLPTSA-N -1 3 360.414 0.701 10 0 FCAEHM O=C(NC1(CCO)CN(C(=O)c2cnc[n-]c2=O)C1)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001280563406 1261070109 /nfs/dbraw/zinc/07/01/09/1261070109.db2.gz VPAKVLXZFGXFIO-MELADBBJSA-N -1 3 374.441 0.702 10 0 FCAEHM COCCN(CCNC(=O)c1cnc[n-]c1=O)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001281326710 1261111988 /nfs/dbraw/zinc/11/19/88/1261111988.db2.gz JKQFEURDLIPVFM-UONOGXRCSA-N -1 3 362.430 0.823 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N1C[C@@H](C)[C@H](NC(=O)COC(C)C)C1 ZINC001281745055 1261178879 /nfs/dbraw/zinc/17/88/79/1261178879.db2.gz VNEUJNPNBCYTDN-IUODEOHRSA-N -1 3 364.446 0.811 10 0 FCAEHM CO[C@@H]1CN(C(=O)[C@H](C)OCC(C)C)C[C@H]1NC(=O)c1cnc[n-]c1=O ZINC001281841487 1261225532 /nfs/dbraw/zinc/22/55/32/1261225532.db2.gz BQSBNJUKXFAJHP-IACUBPJLSA-N -1 3 366.418 0.199 10 0 FCAEHM CCOCC(=O)N1C[C@H]2CCN(C(=O)c3ccc4c(c3)C(=O)[N-]C4=O)C[C@H]21 ZINC001281943063 1261301404 /nfs/dbraw/zinc/30/14/04/1261301404.db2.gz FCFXCLITSNUSEX-IUODEOHRSA-N -1 3 371.393 0.280 10 0 FCAEHM O=C(CCc1ncccn1)N[C@@H]1CCCC[C@H]1NC(=O)c1cnc[n-]c1=O ZINC001282011460 1261330851 /nfs/dbraw/zinc/33/08/51/1261330851.db2.gz CJCPSDZUYBWTPF-ZIAGYGMSSA-N -1 3 370.413 0.762 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CC[C@H](CNC(=O)C[C@@H]2CCOC2)C1 ZINC001282106661 1261340352 /nfs/dbraw/zinc/34/03/52/1261340352.db2.gz HSNGIJROLWLPNT-MELADBBJSA-N -1 3 362.430 0.932 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2C[C@@H](C(=O)OC)[C@@H]3C[C@@H]32)c(C)o1 ZINC001472007761 1261424198 /nfs/dbraw/zinc/42/41/98/1261424198.db2.gz QADOLJAFYYCWER-KXNHARMFSA-N -1 3 356.400 0.424 10 0 FCAEHM C[C@H](NC(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)c1nc(C(F)(F)F)n[n-]1 ZINC001472110052 1261437359 /nfs/dbraw/zinc/43/73/59/1261437359.db2.gz BQVDZLWPJPYKTA-XHNCKOQMSA-N -1 3 371.319 0.952 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC(N)=O)C2 ZINC001282758298 1261613715 /nfs/dbraw/zinc/61/37/15/1261613715.db2.gz RKANHKBAQLXQLH-UTUOFQBUSA-N -1 3 361.402 0.008 10 0 FCAEHM CC[C@@H](CNC(=O)[C@]12C[C@H]1COC2)NC(=O)c1nnc2ccccc2c1[O-] ZINC001285062134 1261807390 /nfs/dbraw/zinc/80/73/90/1261807390.db2.gz MEUOTWKJTIHADY-ZKTNFTSUSA-N -1 3 370.409 0.997 10 0 FCAEHM CC(C)[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)NC(=O)c1ccccc1[O-] ZINC001285350069 1261833934 /nfs/dbraw/zinc/83/39/34/1261833934.db2.gz RYFQBZRWVBRMLN-AEGPPILISA-N -1 3 363.414 0.296 10 0 FCAEHM COCCC(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)c3cnc[n-]c3=O)[C@@H]2C1 ZINC001288963545 1262051838 /nfs/dbraw/zinc/05/18/38/1262051838.db2.gz OMGVUTKRYMPMEN-GXTWGEPZSA-N -1 3 362.430 0.918 10 0 FCAEHM COCCC(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1c1ccccc1 ZINC001289430751 1262201372 /nfs/dbraw/zinc/20/13/72/1262201372.db2.gz GZKIXFITZDSFTM-JKSUJKDBSA-N -1 3 370.409 0.943 10 0 FCAEHM O=C(CNC(=O)C1CC1)NC[C@H]1CC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001290098042 1262378594 /nfs/dbraw/zinc/37/85/94/1262378594.db2.gz IFZGDEHOYCZLNZ-GXTWGEPZSA-N -1 3 359.426 0.933 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)NCc1nc(CNC(=O)CCOC)cc(=O)[n-]1 ZINC001290364765 1262433441 /nfs/dbraw/zinc/43/34/41/1262433441.db2.gz ZDRUBCAKCQGSRI-BZNIZROVSA-N -1 3 366.418 0.266 10 0 FCAEHM COCCOCCC(=O)NC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001290939925 1262539886 /nfs/dbraw/zinc/53/98/86/1262539886.db2.gz FRRZKZFUGGRHJG-CHWSQXEVSA-N -1 3 366.418 0.060 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CCNC(=O)Cc1ccc[nH]1 ZINC001291623841 1262568598 /nfs/dbraw/zinc/56/85/98/1262568598.db2.gz WZQKBZMTVLLYNE-CHWSQXEVSA-N -1 3 357.414 0.967 10 0 FCAEHM O=C(CCc1cnn[nH]1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC001292007223 1262629605 /nfs/dbraw/zinc/62/96/05/1262629605.db2.gz AIAYZDIECLAFCP-AGIUHOORSA-N -1 3 356.386 0.400 10 0 FCAEHM NC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1nnc2ccccc2c1[O-] ZINC001292067460 1262638811 /nfs/dbraw/zinc/63/88/11/1262638811.db2.gz MFWMVBISNXETQQ-WQAKAFBOSA-N -1 3 369.381 0.073 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C(C)(C)N1C(=O)c2ccccc2C1=O ZINC001292970172 1262707085 /nfs/dbraw/zinc/70/70/85/1262707085.db2.gz VEHHHCGOHMDOQQ-NSHDSACASA-N -1 3 356.382 0.689 10 0 FCAEHM O=C(NCCCNC(=O)[C@]12C[C@H]1COC2)c1c[n-]c2ccccc2c1=O ZINC001293376898 1262715434 /nfs/dbraw/zinc/71/54/34/1262715434.db2.gz OPCRRLWATQMWLY-BUXKBTBVSA-N -1 3 355.394 0.801 10 0 FCAEHM O=C(NCCN1CCN(C(=O)[C@]23C[C@H]2COC3)CC1)c1ccccc1[O-] ZINC001294679190 1262739938 /nfs/dbraw/zinc/73/99/38/1262739938.db2.gz OFBSZYSIWRIHSM-LIRRHRJNSA-N -1 3 359.426 0.303 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@H](NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CC1 ZINC001294927090 1262751457 /nfs/dbraw/zinc/75/14/57/1262751457.db2.gz YPQMPKXDVZMFQS-IZBGITOTSA-N -1 3 372.425 0.539 10 0 FCAEHM CC(C)[C@@H](CNC(=O)[C@]12C[C@H]1COC2)NC(=O)c1cccc2n[n-]nc21 ZINC001297979208 1262902221 /nfs/dbraw/zinc/90/22/21/1262902221.db2.gz KSDUWTPKZHAXMM-FVMIAERFSA-N -1 3 357.414 0.865 10 0 FCAEHM O=C(C[C@@H]1C[C@H]1C1CC1)NC[C@@H](O)CNC(=O)c1cccc2n[n-]nc21 ZINC001298184481 1262914105 /nfs/dbraw/zinc/91/41/05/1262914105.db2.gz GGAQKZUCMLXYPS-SCRDCRAPSA-N -1 3 357.414 0.601 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(C(=O)NCCO)CC2)c1 ZINC001301677032 1263014725 /nfs/dbraw/zinc/01/47/25/1263014725.db2.gz TVDZPGHODFTDRD-UHFFFAOYSA-N -1 3 361.398 0.477 10 0 FCAEHM Cn1ncnc1C1(O)CN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)C1 ZINC001303145640 1263079046 /nfs/dbraw/zinc/07/90/46/1263079046.db2.gz RKLOQYZNFGGUJM-UHFFFAOYSA-N -1 3 361.308 0.278 10 0 FCAEHM CC(C)(C)N1CC[C@H](NC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)C1=O ZINC001478875316 1263150508 /nfs/dbraw/zinc/15/05/08/1263150508.db2.gz HHXBODQYHOHYRI-NEPJUHHUSA-N -1 3 362.434 0.460 10 0 FCAEHM CCOC(=O)C1=CC[C@@H](NC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)C1 ZINC001478972986 1263157123 /nfs/dbraw/zinc/15/71/23/1263157123.db2.gz LCTSXFJXNFZVHQ-OLZOCXBDSA-N -1 3 361.402 0.712 10 0 FCAEHM C[C@H](Oc1cccnc1)C(=O)NC[C@H]1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001479473104 1263213745 /nfs/dbraw/zinc/21/37/45/1263213745.db2.gz HKXIVKYBJPQPKC-RWMBFGLXSA-N -1 3 360.418 0.747 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)N[C@H]1Cc2ccccc2NC1=O ZINC001479506276 1263232897 /nfs/dbraw/zinc/23/28/97/1263232897.db2.gz CXSSTOJXDBZAOR-JSGCOSHPSA-N -1 3 368.397 0.624 10 0 FCAEHM Cc1nc([C@@H]2CCN(C(=O)N[C@H]3CCN(c4cc(=O)[n-]cn4)C3)C2)no1 ZINC001479506503 1263233803 /nfs/dbraw/zinc/23/38/03/1263233803.db2.gz FAAGHTXQAJLELG-NEPJUHHUSA-N -1 3 359.390 0.651 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CCC(Cn2cncn2)CC1 ZINC001479507215 1263234534 /nfs/dbraw/zinc/23/45/34/1263234534.db2.gz IHCNDFXQWRUTRP-CQSZACIVSA-N -1 3 372.433 0.474 10 0 FCAEHM NC(=O)C[C@@H](NC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccccc1 ZINC001479511013 1263234938 /nfs/dbraw/zinc/23/49/38/1263234938.db2.gz XDKWHOYOTZMTSQ-UONOGXRCSA-N -1 3 370.413 0.677 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)c2n[n-]c3ccccc3c2=O)CCN1CCOCCO ZINC001479721096 1263392357 /nfs/dbraw/zinc/39/23/57/1263392357.db2.gz LQMQRTSMKXPVSL-OCCSQVGLSA-N -1 3 360.414 0.537 10 0 FCAEHM CN(CC(C)(C)CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(=O)c1cnc[n-]c1=O ZINC001486766485 1263553234 /nfs/dbraw/zinc/55/32/34/1263553234.db2.gz ZXOZNNIWPXPWJL-MIBAYGRRSA-N -1 3 374.441 0.820 10 0 FCAEHM CCC[C@@H]1C[C@H]1C(=O)NC1(CCO)CN(C(=O)c2c(C)nc[n-]c2=O)C1 ZINC001487050557 1263583407 /nfs/dbraw/zinc/58/34/07/1263583407.db2.gz YZKAFRFGMCVJGC-CHWSQXEVSA-N -1 3 362.430 0.620 10 0 FCAEHM CN1CC[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)[C@H]1c1ccc(F)cc1 ZINC001319699559 1263721973 /nfs/dbraw/zinc/72/19/73/1263721973.db2.gz FKPLCVFSGZPKAL-GOEBONIOSA-N -1 3 360.389 0.627 10 0 FCAEHM Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@@](C)(CNCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001495279596 1263811985 /nfs/dbraw/zinc/81/19/85/1263811985.db2.gz IWPWLLGYIMRSMH-QFSBIZTOSA-N -1 3 359.434 0.422 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@@H](NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(C)C ZINC001500923011 1264096917 /nfs/dbraw/zinc/09/69/17/1264096917.db2.gz QGADGCPBXQTQLZ-MKRTWGBSSA-N -1 3 374.441 0.785 10 0 FCAEHM O=C(NCC=CCNC(=O)[C@]12C[C@H]1COC2)c1cc(=O)[n-]c(C2CC2)n1 ZINC001501888372 1264151325 /nfs/dbraw/zinc/15/13/25/1264151325.db2.gz OQZRBXFPKWRSFG-RHQADVSLSA-N -1 3 358.398 0.498 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001502343976 1264168542 /nfs/dbraw/zinc/16/85/42/1264168542.db2.gz CQGFCDALHZDAAU-DDTOSNHZSA-N -1 3 355.398 0.924 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NCC1(NC(=O)[C@@H]2CCO[C@H]2C2CC2)CC1 ZINC001506176786 1264300641 /nfs/dbraw/zinc/30/06/41/1264300641.db2.gz SJNFYIUNRFREBS-OCCSQVGLSA-N -1 3 360.414 0.684 10 0 FCAEHM COCCC[C@@H](C)C(=O)N1C[C@@H]2CCN(C(=O)c3cnc[n-]c3=O)[C@@H]2C1 ZINC001512826255 1264677589 /nfs/dbraw/zinc/67/75/89/1264677589.db2.gz UTGCVKSMDNJIKP-VNHYZAJKSA-N -1 3 362.430 0.918 10 0 FCAEHM CO[C@H](C(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1O)C1CCCC1 ZINC001513023019 1264855811 /nfs/dbraw/zinc/85/58/11/1264855811.db2.gz KLBYTNPYMDRUJD-OIISXLGYSA-N -1 3 362.426 0.899 10 0 FCAEHM CCCCCC(=O)N1C[C@@H](NC(=O)CCc2c(C)nc[n-]c2=O)[C@@H](O)C1 ZINC001513560989 1265209860 /nfs/dbraw/zinc/20/98/60/1265209860.db2.gz KJSILESSYUKILI-CABCVRRESA-N -1 3 364.446 0.691 10 0 FCAEHM CCCC1(C(=O)N2C[C@@H](NC(=O)c3c(C)nc[n-]c3=O)[C@@H](O)C2)CCC1 ZINC001513612559 1265242334 /nfs/dbraw/zinc/24/23/34/1265242334.db2.gz SICGNHUVVKZQSW-OLZOCXBDSA-N -1 3 362.430 0.763 10 0 FCAEHM C[C@@](O)(CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cnc[n-]c1=O)C1CC1 ZINC001514342670 1265339961 /nfs/dbraw/zinc/33/99/61/1265339961.db2.gz GNSSEMGVIYESKL-HBUWYVDXSA-N -1 3 362.430 0.891 10 0 FCAEHM Cn1[n-]c(CNCC2(NC(=O)[C@@H]3C[C@H]3C3CCC3)CCOCC2)nc1=O ZINC001327661399 1265391276 /nfs/dbraw/zinc/39/12/76/1265391276.db2.gz IYDCTVMATOKSBE-UONOGXRCSA-N -1 3 363.462 0.300 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1cn[nH]c1)C2 ZINC001522277709 1266459887 /nfs/dbraw/zinc/45/98/87/1266459887.db2.gz BWQYLIJADUPVAD-MCIONIFRSA-N -1 3 370.413 0.708 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncc[nH]1 ZINC001522301100 1266478587 /nfs/dbraw/zinc/47/85/87/1266478587.db2.gz PESCBAYCOAPGRZ-BNOWGMLFSA-N -1 3 370.413 0.708 10 0 FCAEHM Cc1nc(C)c(CCC(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)c(=O)[n-]1 ZINC001526641120 1266826319 /nfs/dbraw/zinc/82/63/19/1266826319.db2.gz GHNKEOGJVOVGIK-INIZCTEOSA-N -1 3 369.443 0.148 10 0 FCAEHM C[C@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001526833852 1266844697 /nfs/dbraw/zinc/84/46/97/1266844697.db2.gz ZGJVXUFIXAJJEZ-PQLQOZPYSA-N -1 3 372.425 0.718 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)c1c(Br)nc2n1CCOC2 ZINC001334705778 1267145481 /nfs/dbraw/zinc/14/54/81/1267145481.db2.gz IHWXHRMSTVVCFC-MRVPVSSYSA-N -1 3 370.207 0.418 10 0 FCAEHM CN1C[C@@H](C(=O)Nc2ncc(S(=O)(=O)[N-]C(C)(C)C)s2)CC1=O ZINC001535300231 1267289234 /nfs/dbraw/zinc/28/92/34/1267289234.db2.gz FMDMXDAWMZJLDN-QMMMGPOBSA-N -1 3 360.461 0.637 10 0 FCAEHM C[C@@]1(CNC(=O)c2cnc[n-]c2=O)CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001537091481 1267355223 /nfs/dbraw/zinc/35/52/23/1267355223.db2.gz SJHCPFYFKAPLHR-QDTBLXIISA-N -1 3 360.414 0.718 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1cccnn1 ZINC001538084337 1267391151 /nfs/dbraw/zinc/39/11/51/1267391151.db2.gz LTPTYEWTMCZCDW-UHFFFAOYSA-N -1 3 358.782 0.977 10 0 FCAEHM CCN(C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl)[C@H]1CC(=O)NC1=O ZINC001542442164 1267496816 /nfs/dbraw/zinc/49/68/16/1267496816.db2.gz LBLNCGPBGGZOLV-NSHDSACASA-N -1 3 373.818 0.589 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)CC1(NC(=O)OC(C)(C)C)COC1 ZINC001542941815 1267513891 /nfs/dbraw/zinc/51/38/91/1267513891.db2.gz GOJRERHJIZRNEU-LLVKDONJSA-N -1 3 354.407 0.298 10 0 FCAEHM COC(=O)[C@]1(C)C[C@@H](OC)CN1C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC001544161419 1267571941 /nfs/dbraw/zinc/57/19/41/1267571941.db2.gz YBCJIPOCNYVQKE-PXAZEXFGSA-N -1 3 351.403 0.911 10 0 FCAEHM CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)[C@@H]1CCCn2ncnc21 ZINC001545428649 1267613410 /nfs/dbraw/zinc/61/34/10/1267613410.db2.gz VMYFAESNUIWGFG-SNVBAGLBSA-N -1 3 367.406 0.983 10 0 FCAEHM CN(C[C@H](O)CN(C)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)C(=O)c1cnc[n-]c1=O ZINC001338666008 1268032433 /nfs/dbraw/zinc/03/24/33/1268032433.db2.gz ODVPNKVUQVPLSY-LXTVHRRPSA-N -1 3 374.441 0.676 10 0 FCAEHM Cn1ncc(C(=O)[O-])c1C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC001339152936 1268176933 /nfs/dbraw/zinc/17/69/33/1268176933.db2.gz VLTBDEBUHSGJQW-UHFFFAOYSA-N -1 3 371.441 0.796 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC001339961195 1268387872 /nfs/dbraw/zinc/38/78/72/1268387872.db2.gz VRABSYMPCMNFBM-DGCLKSJQSA-N -1 3 356.448 0.257 10 0 FCAEHM COC[C@@H](C)CC(=O)N1C[C@@H]2CCN(C(=O)c3c(C)nc[n-]c3=O)[C@@H]2C1 ZINC001341135603 1268798894 /nfs/dbraw/zinc/79/88/94/1268798894.db2.gz SRMATTVZDJJCHA-FPMFFAJLSA-N -1 3 362.430 0.836 10 0 FCAEHM COC[C@H](C)CC(=O)N1CC[C@H]2CN(C(=O)c3c(C)nc[n-]c3=O)C[C@H]21 ZINC001341159329 1268820448 /nfs/dbraw/zinc/82/04/48/1268820448.db2.gz MUXPOISGASHGNP-KWCYVHTRSA-N -1 3 362.430 0.836 10 0 FCAEHM CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001557319932 1268943281 /nfs/dbraw/zinc/94/32/81/1268943281.db2.gz PACCLEHJFMUYKB-MNOVXSKESA-N -1 3 354.407 0.707 10 0 FCAEHM COc1ccc(OC)c(C2=NO[C@@H](C(=O)NCCCc3c[n-][nH]c3=O)C2)c1 ZINC001557701795 1268967605 /nfs/dbraw/zinc/96/76/05/1268967605.db2.gz ZJPLIJIKROBNMM-BDJLRTHQSA-N -1 3 374.397 0.825 10 0 FCAEHM CS(=O)(=O)c1ccc(NCC(=O)NCCCc2c[n-][nH]c2=O)cc1 ZINC001557701155 1268968830 /nfs/dbraw/zinc/96/88/30/1268968830.db2.gz KASIGERENHGBFM-LLVKDONJSA-N -1 3 352.416 0.130 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(Cc3ccno3)CC2)c(C)o1 ZINC001558078834 1269019815 /nfs/dbraw/zinc/01/98/15/1269019815.db2.gz MENFPBJRMSZCLI-UHFFFAOYSA-N -1 3 368.415 0.442 10 0 FCAEHM Cn1ncnc1C1(O)CN(C(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)C1 ZINC001558141219 1269033407 /nfs/dbraw/zinc/03/34/07/1269033407.db2.gz HADULVWXXBXXMX-UHFFFAOYSA-N -1 3 361.308 0.278 10 0 FCAEHM Cc1csc2ncc(C(=O)N3CCC(Cc4nnn[n-]4)CC3)c(=O)n12 ZINC001558178617 1269047400 /nfs/dbraw/zinc/04/74/00/1269047400.db2.gz UGQNGNRQPDGLBB-UHFFFAOYSA-N -1 3 359.415 0.672 10 0 FCAEHM Cc1csc2ncc(C(=O)N3CCC(Cc4nn[n-]n4)CC3)c(=O)n12 ZINC001558178617 1269047411 /nfs/dbraw/zinc/04/74/11/1269047411.db2.gz UGQNGNRQPDGLBB-UHFFFAOYSA-N -1 3 359.415 0.672 10 0 FCAEHM CS(=O)(=O)N1CCC(C(=O)NCc2cc(=O)[n-]c(C3CC3)n2)CC1 ZINC001558310403 1269064739 /nfs/dbraw/zinc/06/47/39/1269064739.db2.gz DYGDVMAUQMIJGV-UHFFFAOYSA-N -1 3 354.432 0.347 10 0 FCAEHM CS(=O)(=O)NC[C@@H]1COCCN1Cc1nnc(-c2ccccc2[O-])o1 ZINC001560044278 1269184543 /nfs/dbraw/zinc/18/45/43/1269184543.db2.gz APACDMIXMWWWOW-LLVKDONJSA-N -1 3 368.415 0.192 10 0 FCAEHM O=c1cc(CN2CCN3CCOC[C@@]3(CO)C2)nc(-c2ccccc2)[n-]1 ZINC001560178376 1269193862 /nfs/dbraw/zinc/19/38/62/1269193862.db2.gz WITNMVSVCIZLTM-IBGZPJMESA-N -1 3 356.426 0.728 10 0 FCAEHM CN(C)C(=O)CN1CCC(NC(=O)c2ccc3n[n-]c(=S)n3c2)CC1 ZINC001565596277 1269480754 /nfs/dbraw/zinc/48/07/54/1269480754.db2.gz RRTNTRFOGQOQIO-UHFFFAOYSA-N -1 3 362.459 0.300 10 0 FCAEHM CC[C@@H](SC)C(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1OC ZINC001342832552 1269631043 /nfs/dbraw/zinc/63/10/43/1269631043.db2.gz CPQKYIJGHQXXRA-IJLUTSLNSA-N -1 3 368.459 0.588 10 0 FCAEHM CCC[C@H]1C(=O)NCCN1C(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001567263764 1269684003 /nfs/dbraw/zinc/68/40/03/1269684003.db2.gz HIHNFVLTXUQXGC-ZDUSSCGKSA-N -1 3 374.372 0.615 10 0 FCAEHM CCC[C@H]1C(=O)NCCN1C(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001567263764 1269684006 /nfs/dbraw/zinc/68/40/06/1269684006.db2.gz HIHNFVLTXUQXGC-ZDUSSCGKSA-N -1 3 374.372 0.615 10 0 FCAEHM CN1CCn2nc(C(=O)[N-]c3n[nH]c(C4CCC4)n3)cc2S1(=O)=O ZINC001567327473 1269687746 /nfs/dbraw/zinc/68/77/46/1269687746.db2.gz ALBDFGKKVBNMAO-UHFFFAOYSA-N -1 3 351.392 0.155 10 0 FCAEHM C[C@@H]1CN(C(=O)c2nc[n-]c(=O)c2Br)[C@H](C)CN1CCO ZINC001570456191 1269884247 /nfs/dbraw/zinc/88/42/47/1269884247.db2.gz GCGRQKKTLHVQFA-RKDXNWHRSA-N -1 3 359.224 0.472 10 0 FCAEHM CC[C@@H](NC(C)=O)C(=O)N1C[C@H]2CCN(C(=O)c3ccccc3[O-])C[C@H]21 ZINC001343995584 1270071017 /nfs/dbraw/zinc/07/10/17/1270071017.db2.gz MAMGUMVAWQAFAW-FVQBIDKESA-N -1 3 359.426 0.980 10 0 FCAEHM C=C/C(C)=C\CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC001572822153 1270195093 /nfs/dbraw/zinc/19/50/93/1270195093.db2.gz YSDYLUCCHCCDQX-LNVAGALZSA-N -1 3 355.398 0.782 10 0 FCAEHM CCO[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1CNC(=O)C(C)(C)F ZINC001573217810 1270689247 /nfs/dbraw/zinc/68/92/47/1270689247.db2.gz ILCDBMIBVZKCGS-VXGBXAGGSA-N -1 3 368.409 0.832 10 0 FCAEHM CCC(C)=CC(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@]23C[C@H]2COC3)n1 ZINC001573250028 1270708701 /nfs/dbraw/zinc/70/87/01/1270708701.db2.gz VDTXBSXBALOKQC-FKFAOYOGSA-N -1 3 360.414 0.807 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)NCc1nc(CNC(=O)CCOC)cc(=O)[n-]1 ZINC001573248802 1270709023 /nfs/dbraw/zinc/70/90/23/1270709023.db2.gz JMSGBLDBBGIJIY-OLZOCXBDSA-N -1 3 366.418 0.266 10 0 FCAEHM COCCC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001573251458 1270710454 /nfs/dbraw/zinc/71/04/54/1270710454.db2.gz YOFIIMULRZRXTA-GDBMZVCRSA-N -1 3 357.414 0.956 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)c2ccccc2[O-])CCN1C(=O)CS(=O)(=O)N(C)C ZINC001573440318 1270777514 /nfs/dbraw/zinc/77/75/14/1270777514.db2.gz LTQYYDMDGJHHID-YPMHNXCESA-N -1 3 369.443 0.003 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)c2cnc[n-]c2=O)CCN1C(=O)COCc1cccnc1 ZINC001573526551 1270812834 /nfs/dbraw/zinc/81/28/34/1270812834.db2.gz QYQWVGBWHNBOHG-DOMZBBRYSA-N -1 3 371.397 0.513 10 0 FCAEHM CN(CCCNC(=O)c1nnc2ccccc2c1[O-])C(=O)[C@]12C[C@H]1COC2 ZINC001577394617 1274392320 /nfs/dbraw/zinc/39/23/20/1274392320.db2.gz NIZDTXVGTGXDJY-BUXKBTBVSA-N -1 3 370.409 0.950 10 0 FCAEHM COc1ccc([C@@H]2C[C@H]2C(=O)NC[C@H](C)NCc2nc(=O)n(C)[n-]2)cc1 ZINC001713338247 1287275673 /nfs/dbraw/zinc/27/56/73/1287275673.db2.gz IHLHRGPUYLWVHA-TUKIKUTGSA-N -1 3 359.430 0.515 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cnn(-c2ccncc2)c1 ZINC001603293597 1287348360 /nfs/dbraw/zinc/34/83/60/1287348360.db2.gz XOTGIBUYUMYFTC-CYBMUJFWSA-N -1 3 351.370 0.772 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NC[C@@H]1CN(CCC[N-]C(=O)C(F)(F)F)CCO1 ZINC001715290672 1287348785 /nfs/dbraw/zinc/34/87/85/1287348785.db2.gz UWNIFBUYHNZGRQ-JHJVBQTASA-N -1 3 365.396 0.918 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N(C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001718577003 1287522234 /nfs/dbraw/zinc/52/22/34/1287522234.db2.gz CYUGJLSLKAJMNY-MVWJERBFSA-N -1 3 358.402 0.594 10 0 FCAEHM O=C(NC1(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CCCC1)c1cnc[n-]c1=O ZINC001582594808 1281781998 /nfs/dbraw/zinc/78/19/98/1281781998.db2.gz XZKKAGKDAVVOIE-BZPMIXESSA-N -1 3 360.414 0.909 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)NC[C@H](C)CNC(=O)c1c(C)nc[n-]c1=O ZINC001582842682 1282040194 /nfs/dbraw/zinc/04/01/94/1282040194.db2.gz UJNZLFKKQSUIHJ-QKCSRTOESA-N -1 3 350.419 0.788 10 0 FCAEHM CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)c1 ZINC001583357017 1282082486 /nfs/dbraw/zinc/08/24/86/1282082486.db2.gz FRVOJCNROAWTMX-JTQLQIEISA-N -1 3 367.431 0.760 10 0 FCAEHM NS(=O)(=O)c1ccc(CC(=O)NCc2cc(=O)[n-]c(=S)[nH]2)s1 ZINC001583369343 1282085740 /nfs/dbraw/zinc/08/57/40/1282085740.db2.gz SVSIIYOZSWFGMX-UHFFFAOYSA-N -1 3 360.442 0.039 10 0 FCAEHM CCS(=O)(=O)c1c[nH]c(=O)c(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)c1 ZINC001631833108 1282119640 /nfs/dbraw/zinc/11/96/40/1282119640.db2.gz SQQHNLRNXSGLLM-VIFPVBQESA-N -1 3 366.399 0.639 10 0 FCAEHM CC(C)NS(=O)(=O)c1c[nH]c(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)c1 ZINC001631842252 1282122869 /nfs/dbraw/zinc/12/28/69/1282122869.db2.gz FMSYVQCKONUVRW-UHFFFAOYSA-N -1 3 371.444 0.416 10 0 FCAEHM CON(C)S(=O)(=O)c1ccc(C(=O)NCc2nc(C)cc(=O)[n-]2)cc1 ZINC001631849179 1282124052 /nfs/dbraw/zinc/12/40/52/1282124052.db2.gz GUIQVZVHKIJJKF-UHFFFAOYSA-N -1 3 366.399 0.603 10 0 FCAEHM CNC(=O)C(C)(C)CNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001632162618 1282159487 /nfs/dbraw/zinc/15/94/87/1282159487.db2.gz TWNTUDRJJIRDPQ-UHFFFAOYSA-N -1 3 362.361 0.376 10 0 FCAEHM CNC(=O)C(C)(C)CNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001632162618 1282159490 /nfs/dbraw/zinc/15/94/90/1282159490.db2.gz TWNTUDRJJIRDPQ-UHFFFAOYSA-N -1 3 362.361 0.376 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)COc1ccc(Br)cn1 ZINC001632758807 1282204734 /nfs/dbraw/zinc/20/47/34/1282204734.db2.gz TUXNJYLGBBXBOV-JTQLQIEISA-N -1 3 355.192 0.851 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H]1[C@H]2C[C@H]2CN1C(=O)OC(C)(C)C ZINC001585162938 1282207142 /nfs/dbraw/zinc/20/71/42/1282207142.db2.gz BGQBATXWAWTURS-QNWHQSFQSA-N -1 3 350.419 0.870 10 0 FCAEHM COC(=O)C1CCN(CCCNC(=O)c2cnc(SC)[n-]c2=O)CC1 ZINC001585197211 1282212511 /nfs/dbraw/zinc/21/25/11/1282212511.db2.gz IJFJNXXBRRULCN-UHFFFAOYSA-N -1 3 368.459 0.909 10 0 FCAEHM O=C(CNC(=O)c1ncccc1[O-])NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC001633185999 1282233773 /nfs/dbraw/zinc/23/37/73/1282233773.db2.gz KVPJBWLEZZSRQZ-UHFFFAOYSA-N -1 3 370.344 0.758 10 0 FCAEHM O=C(CNC(=O)c1ncccc1[O-])NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC001633185999 1282233774 /nfs/dbraw/zinc/23/37/74/1282233774.db2.gz KVPJBWLEZZSRQZ-UHFFFAOYSA-N -1 3 370.344 0.758 10 0 FCAEHM CCCCS(=O)(=O)N1CCC(C(=O)NCCCc2c[n-][nH]c2=O)CC1 ZINC001585933805 1282256482 /nfs/dbraw/zinc/25/64/82/1282256482.db2.gz MJTRDHMPOWUVQA-AWEZNQCLSA-N -1 3 372.491 0.457 10 0 FCAEHM CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCc1c[n-][nH]c1=O ZINC001585938284 1282258189 /nfs/dbraw/zinc/25/81/89/1282258189.db2.gz VTQXLHXCQXRQBL-STQMWFEESA-N -1 3 370.450 0.933 10 0 FCAEHM CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)NCCCc2c[n-][nH]c2=O)C1 ZINC001585938564 1282258219 /nfs/dbraw/zinc/25/82/19/1282258219.db2.gz ZJPNUGFSQYNUPE-PWSUYJOCSA-N -1 3 356.398 0.820 10 0 FCAEHM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCN(CC2CCOCC2)CC1 ZINC001634003303 1282291068 /nfs/dbraw/zinc/29/10/68/1282291068.db2.gz JHTLAHDXAJIECJ-UHFFFAOYSA-N -1 3 353.423 0.040 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)[C@@H](C)[C@@H](C)S(C)(=O)=O)CC2)n1 ZINC001634977979 1282368704 /nfs/dbraw/zinc/36/87/04/1282368704.db2.gz QHBQNHXMFQWOBK-NWDGAFQWSA-N -1 3 356.448 0.208 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)Cn3ncc4cccnc43)CC2)n1 ZINC001634978377 1282369074 /nfs/dbraw/zinc/36/90/74/1282369074.db2.gz WZPVYOWSHFQSCS-UHFFFAOYSA-N -1 3 353.386 0.584 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)[C@@H]3CCCCS3(=O)=O)CC2)n1 ZINC001634977716 1282369184 /nfs/dbraw/zinc/36/91/84/1282369184.db2.gz JWKWTCPUMSKQGJ-LBPRGKRZSA-N -1 3 354.432 0.107 10 0 FCAEHM COc1ncc(C=CC(=O)N2CCN(c3nc(C)cc(=O)[n-]3)CC2)cn1 ZINC001634978102 1282369435 /nfs/dbraw/zinc/36/94/35/1282369435.db2.gz RDEDFRWXFWEWEB-ARJAWSKDSA-N -1 3 356.386 0.651 10 0 FCAEHM COC(=O)[C@H](CCC1OCCO1)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC001587980271 1282391931 /nfs/dbraw/zinc/39/19/31/1282391931.db2.gz BBHNJJXTDJHIMU-JTQLQIEISA-N -1 3 352.322 0.522 10 0 FCAEHM Cn1cc([C@@H]2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)cn3)CCO2)cn1 ZINC001637689717 1282614731 /nfs/dbraw/zinc/61/47/31/1282614731.db2.gz WMNLFQOHNAOIQD-JSGCOSHPSA-N -1 3 354.374 0.645 10 0 FCAEHM Cn1cc([C@@H]2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)cn3)CCO2)cn1 ZINC001637689717 1282614744 /nfs/dbraw/zinc/61/47/44/1282614744.db2.gz WMNLFQOHNAOIQD-JSGCOSHPSA-N -1 3 354.374 0.645 10 0 FCAEHM CNC(=O)N[C@@H]1CCN(C(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)C1 ZINC001638208424 1282673977 /nfs/dbraw/zinc/67/39/77/1282673977.db2.gz OYZKRVDOJWOARZ-MRVPVSSYSA-N -1 3 350.325 0.950 10 0 FCAEHM CC1(CCNC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])OCCO1 ZINC001638280327 1282681015 /nfs/dbraw/zinc/68/10/15/1282681015.db2.gz YRMVKSBFRGVEPK-UHFFFAOYSA-N -1 3 363.345 0.757 10 0 FCAEHM CC1(CCNC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)OCCO1 ZINC001638280327 1282681022 /nfs/dbraw/zinc/68/10/22/1282681022.db2.gz YRMVKSBFRGVEPK-UHFFFAOYSA-N -1 3 363.345 0.757 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NC[C@@H]1CC2(CCC2)CO1 ZINC001639072115 1282744351 /nfs/dbraw/zinc/74/43/51/1282744351.db2.gz VBTRHPGLZBWDAH-LBPRGKRZSA-N -1 3 357.432 0.645 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N[C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1 ZINC001639091862 1282746417 /nfs/dbraw/zinc/74/64/17/1282746417.db2.gz FQSXJJQSYVQNDX-CNDDSTCGSA-N -1 3 373.431 0.368 10 0 FCAEHM O=C(CNC(=O)c1ccc([O-])cc1)N1CCC(CN2CCNC2=O)CC1 ZINC001639092340 1282746623 /nfs/dbraw/zinc/74/66/23/1282746623.db2.gz LZTQDZUNYFEYNM-UHFFFAOYSA-N -1 3 360.414 0.386 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)N1CCc2c1cccc2C(=O)OC ZINC001639343793 1282774093 /nfs/dbraw/zinc/77/40/93/1282774093.db2.gz UJJHNXUSFQFTOB-UHFFFAOYSA-N -1 3 370.427 0.318 10 0 FCAEHM Cc1c(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)cnn1-c1ccc(=O)[nH]n1 ZINC001639635364 1282799787 /nfs/dbraw/zinc/79/97/87/1282799787.db2.gz NTBAVRBWPFYWLV-SNVBAGLBSA-N -1 3 355.358 0.735 10 0 FCAEHM CC(C)(C)OC(=O)Cn1cc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)nn1 ZINC001639639424 1282799802 /nfs/dbraw/zinc/79/98/02/1282799802.db2.gz BVCWTJLBMCNUFS-JTQLQIEISA-N -1 3 362.390 0.678 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cccc(-n2ccnn2)c1 ZINC001640104641 1282839446 /nfs/dbraw/zinc/83/94/46/1282839446.db2.gz JKJFRGXMGCRFJZ-CYBMUJFWSA-N -1 3 351.370 0.772 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cn(C2CCOCC2)nn1 ZINC001640109231 1282840260 /nfs/dbraw/zinc/84/02/60/1282840260.db2.gz BMCKBDFYUSNPRS-LLVKDONJSA-N -1 3 359.390 0.134 10 0 FCAEHM O=C(C[C@H]1C(=O)Nc2ccc(Br)cc21)NN1CC(=O)[N-]C1=O ZINC001641142158 1282927695 /nfs/dbraw/zinc/92/76/95/1282927695.db2.gz QTKPEHBLPRMVQS-MRVPVSSYSA-N -1 3 367.159 0.458 10 0 FCAEHM O=C(Cn1cnc(-c2ccccc2)cc1=O)Nc1n[n-]c(SCCO)n1 ZINC001641364228 1282942803 /nfs/dbraw/zinc/94/28/03/1282942803.db2.gz ZBDHKMWXAAMZKQ-UHFFFAOYSA-N -1 3 372.410 0.752 10 0 FCAEHM Cc1nc([C@@H]2CCN(C(=O)C[N-]S(=O)(=O)c3c(C)noc3C)C2)no1 ZINC001641855677 1282977056 /nfs/dbraw/zinc/97/70/56/1282977056.db2.gz RWBJJUPCQYSLPI-LLVKDONJSA-N -1 3 369.403 0.277 10 0 FCAEHM CC(C)(C)OC(=O)N1CC(O)(CC(=O)NCCCc2cc(=O)[nH][n-]2)C1 ZINC001641916143 1282980785 /nfs/dbraw/zinc/98/07/85/1282980785.db2.gz IWLJNNDIHWMBIQ-UHFFFAOYSA-N -1 3 354.407 0.131 10 0 FCAEHM Cc1cc(=O)c(C(=O)NCCCc2c[n-][nH]c2=O)nn1-c1ccccc1 ZINC001642445074 1283011095 /nfs/dbraw/zinc/01/10/95/1283011095.db2.gz FREFGFVAKDEHNA-CYBMUJFWSA-N -1 3 353.382 0.783 10 0 FCAEHM CCO[C@@H](C(=O)N1CC[C@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@H]21)C1CC1 ZINC001719057905 1287633001 /nfs/dbraw/zinc/63/30/01/1287633001.db2.gz MNXLQSFPNSEEKC-NWANDNLSSA-N -1 3 360.414 0.670 10 0 FCAEHM COc1ccc(CNC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)c(OC)n1 ZINC001681711839 1283506751 /nfs/dbraw/zinc/50/67/51/1283506751.db2.gz LZOFOOHJHPPWEM-LBPRGKRZSA-N -1 3 374.401 0.673 10 0 FCAEHM CC[C@H](C)CC(=O)N[C@@H]1CN(C(=O)Cc2c(C)nc(C)[n-]c2=O)C[C@H]1O ZINC001682413381 1283592573 /nfs/dbraw/zinc/59/25/73/1283592573.db2.gz DLHJSXHLALWHDM-COLVAYQJSA-N -1 3 364.446 0.466 10 0 FCAEHM CCCC[C@@H](C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1O)C(C)C ZINC001682495128 1283624262 /nfs/dbraw/zinc/62/42/62/1283624262.db2.gz NDYUZUCYSIRQDX-BPLDGKMQSA-N -1 3 364.446 0.946 10 0 FCAEHM CCC(CC)[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1O ZINC001682526699 1283647085 /nfs/dbraw/zinc/64/70/85/1283647085.db2.gz MSIZYKYVRLVVDQ-ZLKJLUDKSA-N -1 3 350.419 0.556 10 0 FCAEHM CC[C@@H](OC)C(=O)N[C@@H]1CN(C(=O)CCc2c(C)nc[n-]c2=O)C[C@H]1C ZINC001682785528 1283774933 /nfs/dbraw/zinc/77/49/33/1283774933.db2.gz NMPXPROIFIKWSW-KCPJHIHWSA-N -1 3 364.446 0.811 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](C)[C@H](NC(=O)CCn2cccc2)C1 ZINC001683048164 1283847506 /nfs/dbraw/zinc/84/75/06/1283847506.db2.gz UNPBJWFNJNZUBW-TZMCWYRMSA-N -1 3 357.414 0.959 10 0 FCAEHM CCC(CC)[C@H](C)C(=O)N1C[C@@H](NC(=O)c2c(C)nc[n-]c2=O)[C@@H](O)C1 ZINC001683632110 1284068535 /nfs/dbraw/zinc/06/85/35/1284068535.db2.gz UUBWYDCDCMUSJP-GDLCADMTSA-N -1 3 364.446 0.864 10 0 FCAEHM O=C(CCOCC(F)(F)F)N[C@@H]1CCCC[C@H]1NC(=O)c1cn[n-]n1 ZINC001684020621 1284140531 /nfs/dbraw/zinc/14/05/31/1284140531.db2.gz YHYOQNKZQYJRPE-NXEZZACHSA-N -1 3 363.340 0.931 10 0 FCAEHM CCO[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1CNC(=O)CC(=O)NC ZINC001684625458 1284220343 /nfs/dbraw/zinc/22/03/43/1284220343.db2.gz PNKGGXJVQSHOAO-IUODEOHRSA-N -1 3 363.414 0.122 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CN(C(=O)[C@H](C)CC(F)F)C[C@@H]1O ZINC001702381990 1285598460 /nfs/dbraw/zinc/59/84/60/1285598460.db2.gz YDRZCKFWAWCVHG-QNSHHTMESA-N -1 3 358.345 0.083 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)CC(F)F)C[C@@H]1O ZINC001702381991 1285598484 /nfs/dbraw/zinc/59/84/84/1285598484.db2.gz YDRZCKFWAWCVHG-SFGNSQDASA-N -1 3 358.345 0.083 10 0 FCAEHM CCO[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1CNC(=O)CCCF ZINC001702575425 1285740861 /nfs/dbraw/zinc/74/08/61/1285740861.db2.gz ILNLYTFSVCBLFD-CHWSQXEVSA-N -1 3 368.409 0.834 10 0 FCAEHM C[C@@H](C(=O)NCc1nc(CNC(=O)[C@]23C[C@H]2COC3)cc(=O)[n-]1)C1CC1 ZINC001702604028 1285750469 /nfs/dbraw/zinc/75/04/69/1285750469.db2.gz IUNFEIGYBNCRRZ-MYFIVHGGSA-N -1 3 360.414 0.497 10 0 FCAEHM COCCCCC(=O)N1C[C@@H]2CN(C(=O)c3cnc[n-]c3=O)CC[C@@H]2C1 ZINC001702659514 1285775322 /nfs/dbraw/zinc/77/53/22/1285775322.db2.gz WQTGHKSZKCHERU-KGLIPLIRSA-N -1 3 362.430 0.919 10 0 FCAEHM COCC[C@@H](C)C(=O)N1C[C@@H](CNC(=O)c2c(C)nc[n-]c2=O)[C@H](C)C1 ZINC001702814800 1285907015 /nfs/dbraw/zinc/90/70/15/1285907015.db2.gz BRQLLJYHPRZWJJ-YRGRVCCFSA-N -1 3 364.446 0.988 10 0 FCAEHM C[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1CCNC(=O)c1ccccc1[O-] ZINC001702826586 1285919526 /nfs/dbraw/zinc/91/95/26/1285919526.db2.gz BOLBRLOOJBFOGZ-CHWSQXEVSA-N -1 3 357.414 0.967 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)NCCCNC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC001703369771 1286102104 /nfs/dbraw/zinc/10/21/04/1286102104.db2.gz DVYBQXYRIBJTTJ-CJNGLKHVSA-N -1 3 364.446 0.779 10 0 FCAEHM C[C@H](CCNC(=O)[C@]12C[C@H]1COC2)NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001704135182 1286187411 /nfs/dbraw/zinc/18/74/11/1286187411.db2.gz SNZYPGNWWYGZGC-FKWBGFQESA-N -1 3 371.393 0.231 10 0 FCAEHM CC(C)(C)OC(=O)N1CC(C(=O)N2CCC(Cc3nnn[n-]3)CC2)C1 ZINC001593917600 1286220548 /nfs/dbraw/zinc/22/05/48/1286220548.db2.gz BVEPBVBKKYIQOA-UHFFFAOYSA-N -1 3 350.423 0.848 10 0 FCAEHM CC(C)(C)OC(=O)N1CC(C(=O)N2CCC(Cc3nn[n-]n3)CC2)C1 ZINC001593917600 1286220553 /nfs/dbraw/zinc/22/05/53/1286220553.db2.gz BVEPBVBKKYIQOA-UHFFFAOYSA-N -1 3 350.423 0.848 10 0 FCAEHM O=C(Cc1nnc(C2CCOCC2)[nH]1)N1CCC(Cc2nn[n-]n2)CC1 ZINC001593936287 1286221929 /nfs/dbraw/zinc/22/19/29/1286221929.db2.gz RVMUPXFGZMWIIY-UHFFFAOYSA-N -1 3 360.422 0.236 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@H](O)CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001704943515 1286328418 /nfs/dbraw/zinc/32/84/18/1286328418.db2.gz HVEUAYUOYCVCIM-XJFOESAGSA-N -1 3 360.414 0.300 10 0 FCAEHM CC(C)(C)C(=O)NCC(=O)NC[C@H]1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001707118741 1286456161 /nfs/dbraw/zinc/45/61/61/1286456161.db2.gz DSXSFSUIPZDCSP-WDEREUQCSA-N -1 3 352.439 0.047 10 0 FCAEHM CCO[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1CNCc1nc(=O)n(C)[n-]1)C1CC1 ZINC001707156246 1286479658 /nfs/dbraw/zinc/47/96/58/1286479658.db2.gz DMWRFAVDQBQTGE-IVMMDQJWSA-N -1 3 365.478 0.640 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2c(C)nc[n-]c2=O)CCN1CC(=O)NCC(C)C ZINC001707200617 1286507166 /nfs/dbraw/zinc/50/71/66/1286507166.db2.gz KYASVAJPHWKEGQ-UONOGXRCSA-N -1 3 363.462 0.846 10 0 FCAEHM C[C@H](C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccccc2[O-])C1)S(C)(=O)=O ZINC001736088186 1289135954 /nfs/dbraw/zinc/13/59/54/1289135954.db2.gz XTKUMWQMQGYADW-FRRDWIJNSA-N -1 3 368.455 0.840 10 0 FCAEHM CO[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1NC(=O)[C@@H](C)C(C)C ZINC001719249189 1287947044 /nfs/dbraw/zinc/94/70/44/1287947044.db2.gz HGRIQBLUBAEQIM-CYZMBNFOSA-N -1 3 350.419 0.738 10 0 FCAEHM CCOCCO[C@H](C)C(=O)N1C[C@@H](NC(=O)c2ccccc2[O-])[C@@H](O)C1 ZINC001719253610 1287954521 /nfs/dbraw/zinc/95/45/21/1287954521.db2.gz YSRDSFKHCDGPJE-XPKDYRNWSA-N -1 3 366.414 0.135 10 0 FCAEHM CCCCCCO[C@@H](C)C(=O)N1C[C@@H](NC(=O)c2cn[n-]n2)[C@@H](O)C1 ZINC001719287549 1288035214 /nfs/dbraw/zinc/03/52/14/1288035214.db2.gz VEYOLPCQIFMOMW-YUTCNCBUSA-N -1 3 353.423 0.092 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CN(C(=O)C(C)(C)CC(C)C)C[C@@H]1O ZINC001719300884 1288066240 /nfs/dbraw/zinc/06/62/40/1288066240.db2.gz CLGBYMXELUXIAW-OLZOCXBDSA-N -1 3 364.446 0.864 10 0 FCAEHM O=C(CCCc1ccccc1)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@@H]1O ZINC001719304450 1288072704 /nfs/dbraw/zinc/07/27/04/1288072704.db2.gz AZHIXGOPHSPTTC-CVEARBPZSA-N -1 3 370.409 0.507 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](NC(=O)C(C)(C)C(F)F)[C@@H](O)C1 ZINC001719307702 1288079983 /nfs/dbraw/zinc/07/99/83/1288079983.db2.gz VOBUWVGBRCELOA-BDAKNGLRSA-N -1 3 358.345 0.083 10 0 FCAEHM CO[C@H](C)CCC(=O)N1C[C@H]2CCN(C(=O)c3c(C)nc[n-]c3=O)C[C@H]21 ZINC001719324106 1288093237 /nfs/dbraw/zinc/09/32/37/1288093237.db2.gz LVUXFIYXBXASCS-MRVWCRGKSA-N -1 3 362.430 0.979 10 0 FCAEHM CCO[C@H](C)C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@H]2CC)n1 ZINC001719524177 1288167353 /nfs/dbraw/zinc/16/73/53/1288167353.db2.gz VAYORSBGEHGKGN-NQBHXWOUSA-N -1 3 350.419 0.886 10 0 FCAEHM O=C(C[C@@H]1C[C@H]1C1CC1)NCCNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001720186976 1288216227 /nfs/dbraw/zinc/21/62/27/1288216227.db2.gz DMOBSFMNSVDLDK-JSGCOSHPSA-N -1 3 355.394 0.852 10 0 FCAEHM CC[C@@H](CNC(=O)c1cnc[n-]c1=O)NC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001721479391 1288341651 /nfs/dbraw/zinc/34/16/51/1288341651.db2.gz RHGIGRFINVNJCD-QJPTWQEYSA-N -1 3 358.402 0.344 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC1(CCO)CN(C(=O)[C@]23C[C@H]2CCC3)C1 ZINC001726038676 1288489314 /nfs/dbraw/zinc/48/93/14/1288489314.db2.gz DRPMAHHRJSWGSH-KZULUSFZSA-N -1 3 360.414 0.374 10 0 FCAEHM Cn1[n-]c(CNC[C@@H](NC(=O)[C@@H]2C[C@H]2C2CCOCC2)C2CC2)nc1=O ZINC001733179054 1288603817 /nfs/dbraw/zinc/60/38/17/1288603817.db2.gz VLADEFYAGQHLFT-RRFJBIMHSA-N -1 3 363.462 0.156 10 0 FCAEHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)N(C)C(=O)c1cnc[n-]c1=O ZINC001734773189 1288673186 /nfs/dbraw/zinc/67/31/86/1288673186.db2.gz IRJBDQUOJJFFGV-FPMFFAJLSA-N -1 3 355.398 0.958 10 0 FCAEHM CC(C)CO[C@H](C)C(=O)N1CC[C@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@H]21 ZINC001735698142 1288772098 /nfs/dbraw/zinc/77/20/98/1288772098.db2.gz DADVKHNRKFDFPM-VNHYZAJKSA-N -1 3 362.430 0.916 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)NCCCCc2ccnc(N)c2)o1 ZINC001608285038 1288813491 /nfs/dbraw/zinc/81/34/91/1288813491.db2.gz STDDYXJLMMVNNG-UHFFFAOYSA-N -1 3 352.416 0.918 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@H](C)OC)n1 ZINC001736172189 1289188143 /nfs/dbraw/zinc/18/81/43/1289188143.db2.gz NOAVRUJFMKAMLN-UHTWSYAYSA-N -1 3 366.418 0.265 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CNC(=O)Cc1cccnc1 ZINC001736357061 1289277656 /nfs/dbraw/zinc/27/76/56/1289277656.db2.gz BZIDPUHYDIPLKO-TZMCWYRMSA-N -1 3 355.398 0.644 10 0 FCAEHM CO[C@@H](C)CCC(=O)NC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001736358029 1289278658 /nfs/dbraw/zinc/27/86/58/1289278658.db2.gz IJJFUGNXWCXFHV-FRRDWIJNSA-N -1 3 350.419 0.822 10 0 FCAEHM CO[C@@H](C(=O)NCC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C)C1CC1 ZINC001736403558 1289316531 /nfs/dbraw/zinc/31/65/31/1289316531.db2.gz JBDYRMPOCBDPMX-UXIGCNINSA-N -1 3 362.430 0.822 10 0 FCAEHM CCOC(=O)N1C[C@@H](CO)[C@H](NC(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC001611693300 1289667404 /nfs/dbraw/zinc/66/74/04/1289667404.db2.gz QFHWGUWPCMNPSC-XHDPSFHLSA-N -1 3 359.382 0.707 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1ccnn1C ZINC001738578065 1289706574 /nfs/dbraw/zinc/70/65/74/1289706574.db2.gz TXUVHRMTWIDHIA-YUSALJHKSA-N -1 3 358.402 0.262 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1CC(C)C ZINC001739064760 1289789636 /nfs/dbraw/zinc/78/96/36/1289789636.db2.gz ZELFCMNFEQNODX-HZSPNIEDSA-N -1 3 364.446 0.722 10 0 FCAEHM CSC[C@H](C)C(=O)N1CC[C@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@H]21 ZINC001739367378 1289859511 /nfs/dbraw/zinc/85/95/11/1289859511.db2.gz GXRHEKZXQNPLFX-GMXVVIOVSA-N -1 3 350.444 0.854 10 0 FCAEHM COCCCOCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001739397872 1289913402 /nfs/dbraw/zinc/91/34/02/1289913402.db2.gz HHQVMTNAWIUWLQ-GDBMZVCRSA-N -1 3 366.414 0.137 10 0 FCAEHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001702252926 1289915106 /nfs/dbraw/zinc/91/51/06/1289915106.db2.gz SJWMIPWASRCBRU-JTNHKYCSSA-N -1 3 358.402 0.361 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1NC(=O)CCc1ccc(=O)[nH]c1 ZINC001702278708 1289953017 /nfs/dbraw/zinc/95/30/17/1289953017.db2.gz NMLIFUPWXNMDQB-BXUZGUMPSA-N -1 3 371.397 0.492 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CN(C(=O)CCC(F)(F)F)C[C@H]1O ZINC001739455866 1290029001 /nfs/dbraw/zinc/02/90/01/1290029001.db2.gz RVZUVAKJASUNOU-RKDXNWHRSA-N -1 3 362.308 0.135 10 0 FCAEHM CO[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1NC(=O)C[C@H](C)SC ZINC001739569043 1290168148 /nfs/dbraw/zinc/16/81/48/1290168148.db2.gz MWRTXVJJPUPSJM-MVWJERBFSA-N -1 3 354.432 0.279 10 0 FCAEHM CCCCOCC(=O)N1C[C@@H](NC(=O)c2cccc3n[n-]nc32)[C@@H](O)C1 ZINC001739629103 1290262685 /nfs/dbraw/zinc/26/26/85/1290262685.db2.gz ANMTXDDGKKYEBR-KGLIPLIRSA-N -1 3 361.402 0.076 10 0 FCAEHM Cc1c(Br)ccc([O-])c1NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001625028950 1290313617 /nfs/dbraw/zinc/31/36/17/1290313617.db2.gz MWPSQTOMHWHWEI-UHFFFAOYSA-N -1 3 368.187 0.962 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@]2(C)C[C@H](O)CN2C)cc1OC ZINC001625195745 1290325961 /nfs/dbraw/zinc/32/59/61/1290325961.db2.gz IFIOLXQTWAGZEI-BLLLJJGKSA-N -1 3 371.459 0.850 10 0 FCAEHM CC[C@@H](C)CCC(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@@H]1O ZINC001739688296 1290362404 /nfs/dbraw/zinc/36/24/04/1290362404.db2.gz NOVQUTQFSJDRDT-RTXFEEFZSA-N -1 3 350.419 0.618 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCCN2CCCS2(=O)=O)c1 ZINC001627063186 1290435404 /nfs/dbraw/zinc/43/54/04/1290435404.db2.gz BPWUQQOABUDDFR-UHFFFAOYSA-N -1 3 353.400 0.282 10 0 FCAEHM CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1c(C)[n-][nH]c1=O ZINC001627151996 1290440900 /nfs/dbraw/zinc/44/09/00/1290440900.db2.gz ADXJQXFIHBIHJJ-GHMZBOCLSA-N -1 3 370.406 0.071 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H](CS(C)(=O)=O)c1ccccc1 ZINC001627153026 1290441740 /nfs/dbraw/zinc/44/17/40/1290441740.db2.gz MREOVCRXQIMLPL-KGLIPLIRSA-N -1 3 351.428 0.443 10 0 FCAEHM CNS(=O)(=O)c1csc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)c1 ZINC001628245773 1290519109 /nfs/dbraw/zinc/51/91/09/1290519109.db2.gz MTCLNAUOVZJOFA-MRVPVSSYSA-N -1 3 356.429 0.715 10 0 FCAEHM C[C@H]1NC(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)=NN(c2ccccc2)C1=O ZINC001628255683 1290520161 /nfs/dbraw/zinc/52/01/61/1290520161.db2.gz XYZATXQWEZOWIE-SECBINFHSA-N -1 3 372.410 0.426 10 0 FCAEHM CC[C@H]1C(=O)NCCN1C(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001628705466 1290551138 /nfs/dbraw/zinc/55/11/38/1290551138.db2.gz JYHLSTGTAFQDLJ-LBPRGKRZSA-N -1 3 360.345 0.225 10 0 FCAEHM CC[C@H]1C(=O)NCCN1C(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001628705466 1290551142 /nfs/dbraw/zinc/55/11/42/1290551142.db2.gz JYHLSTGTAFQDLJ-LBPRGKRZSA-N -1 3 360.345 0.225 10 0 FCAEHM CCOC(=O)c1nc([C@H](C)NC(=O)c2cc([C@H]3CCCN3C)n[nH]2)n[n-]1 ZINC001629028999 1290569410 /nfs/dbraw/zinc/56/94/10/1290569410.db2.gz GYHQYXXIXIGLFN-JOYOIKCWSA-N -1 3 361.406 0.962 10 0 FCAEHM CCOC(=O)c1nc([C@@H](C)NC(=O)c2cc([C@H]3CCCN3C)n[nH]2)n[n-]1 ZINC001629028997 1290570042 /nfs/dbraw/zinc/57/00/42/1290570042.db2.gz GYHQYXXIXIGLFN-BXKDBHETSA-N -1 3 361.406 0.962 10 0 FCAEHM O=C(CCNC(=O)c1cnncc1[O-])N1CCN(c2ccc(F)cc2)CC1 ZINC001630466463 1290669524 /nfs/dbraw/zinc/66/95/24/1290669524.db2.gz FADJPTGLQFGZFH-UHFFFAOYSA-N -1 3 373.388 0.790 10 0 FCAEHM CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)NCCCc2c[n-][nH]c2=O)C1 ZINC001630631992 1290682226 /nfs/dbraw/zinc/68/22/26/1290682226.db2.gz ONSASZRACWSKED-VXGBXAGGSA-N -1 3 350.419 0.872 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)c1ccc2c(c1)nc1n(c2=O)CCC1 ZINC001630632666 1290684664 /nfs/dbraw/zinc/68/46/64/1290684664.db2.gz WEJGYPLNTQPCSJ-LBPRGKRZSA-N -1 3 353.382 0.585 10 0 FCAEHM C[C@H]1CN(CCCCNC(=O)CCCn2c(=O)[n-][nH]c2=O)C[C@H](C)O1 ZINC001630689953 1290688447 /nfs/dbraw/zinc/68/84/47/1290688447.db2.gz TYXSWBQRTMZJNP-STQMWFEESA-N -1 3 355.439 0.475 10 0 FCAEHM CCN(CC)CCN(C(=O)c1ccc([O-])cn1)[C@@H]1CCS(=O)(=O)C1 ZINC001630845605 1290705256 /nfs/dbraw/zinc/70/52/56/1290705256.db2.gz CAQXWCHAVWPEHR-CYBMUJFWSA-N -1 3 355.460 0.758 10 0 FCAEHM O=C(CNC(=O)c1ncccc1[O-])N1CCCN(C[C@H]2CCCO2)CC1 ZINC001631217916 1290720619 /nfs/dbraw/zinc/72/06/19/1290720619.db2.gz XYEOGFICIUJRBE-CQSZACIVSA-N -1 3 362.430 0.230 10 0 FCAEHM C[C@@H](CNC(=O)c1cnc[n-]c1=O)CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001759447278 1290859130 /nfs/dbraw/zinc/85/91/30/1290859130.db2.gz OENSFLHMDUOHSC-KGYLQXTDSA-N -1 3 358.402 0.202 10 0 FCAEHM Cn1cc(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)c(C(F)(F)F)n1 ZINC001643241473 1290864501 /nfs/dbraw/zinc/86/45/01/1290864501.db2.gz JCUZOMBJGKBECH-UHFFFAOYSA-N -1 3 357.292 0.937 10 0 FCAEHM CCCCCS(=O)(=O)CC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001643241560 1290865064 /nfs/dbraw/zinc/86/50/64/1290865064.db2.gz KHOFBPHBEWONBT-UHFFFAOYSA-N -1 3 357.432 0.476 10 0 FCAEHM O=C([C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001644261142 1290950432 /nfs/dbraw/zinc/95/04/32/1290950432.db2.gz NYSAWXDTKUATSK-DJLDLDEBSA-N -1 3 367.349 0.654 10 0 FCAEHM O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001644261242 1290950844 /nfs/dbraw/zinc/95/08/44/1290950844.db2.gz PSFKCHNKJBUVCD-UPJWGTAASA-N -1 3 360.414 0.997 10 0 FCAEHM CN(CCNC(=O)c1c[n-]c2ccccc2c1=O)CCS(C)(=O)=O ZINC001644773991 1290983866 /nfs/dbraw/zinc/98/38/66/1290983866.db2.gz VBNJTJMYKHVSAU-UHFFFAOYSA-N -1 3 351.428 0.234 10 0 FCAEHM COC1(OC)CCOC[C@@H]1NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC001646027547 1291055400 /nfs/dbraw/zinc/05/54/00/1291055400.db2.gz WDQAEZYTGQILGY-HNNXBMFYSA-N -1 3 366.414 0.715 10 0 FCAEHM CS(=O)(=O)N1CCc2cc(C(=O)NCCCc3c[n-][nH]c3=O)ccc21 ZINC001647857840 1291078785 /nfs/dbraw/zinc/07/87/85/1291078785.db2.gz CASUDUFZZKDRQN-ZDUSSCGKSA-N -1 3 364.427 0.251 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC([C@H]3COC(=O)N3)CC2)c(C)o1 ZINC001648093554 1291102471 /nfs/dbraw/zinc/10/24/71/1291102471.db2.gz DBNWKFKYWHAVNM-GFCCVEGCSA-N -1 3 371.415 0.457 10 0 FCAEHM O=C(CCN1CCCS1(=O)=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001648504356 1291126672 /nfs/dbraw/zinc/12/66/72/1291126672.db2.gz HQDLFADVLYSMFQ-JOCQHMNTSA-N -1 3 368.459 0.750 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)CCc3c(C)nc[nH]c3=O)CC2)n1 ZINC001651231795 1291208344 /nfs/dbraw/zinc/20/83/44/1291208344.db2.gz BPPCUVIJOLDSSV-UHFFFAOYSA-N -1 3 358.402 0.576 10 0 FCAEHM C[C@@]1(C2CCN(Cc3nc4c(c(=O)[n-]3)COCC4)CC2)NC(=O)NC1=O ZINC001652656035 1291289747 /nfs/dbraw/zinc/28/97/47/1291289747.db2.gz XWDZWYPFRSFCPI-KRWDZBQOSA-N -1 3 361.402 0.065 10 0 FCAEHM CCOC(=O)c1cccc2[n-]c(NC(=O)CS(=O)(=O)N(C)C)nc21 ZINC001653490636 1291347095 /nfs/dbraw/zinc/34/70/95/1291347095.db2.gz NVXTVXHKSNVKGZ-UHFFFAOYSA-N -1 3 354.388 0.570 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N1CCC[C@H]1C[C@]1(C)NC(=O)NC1=O ZINC001654565943 1291418215 /nfs/dbraw/zinc/41/82/15/1291418215.db2.gz HEBHGQRQKDPRRY-GTNSWQLSSA-N -1 3 361.402 0.402 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N1CCC[C@@H]1C[C@@]1(C)NC(=O)NC1=O ZINC001654565944 1291418514 /nfs/dbraw/zinc/41/85/14/1291418514.db2.gz HEBHGQRQKDPRRY-PIGZYNQJSA-N -1 3 361.402 0.402 10 0 FCAEHM C[C@H](NC(=O)CN1Cc2nc(C3CC3)[n-]c(=O)c2C1)C(=O)N1CCCCC1 ZINC001654688941 1291428054 /nfs/dbraw/zinc/42/80/54/1291428054.db2.gz JFENWURYLDTLNU-LBPRGKRZSA-N -1 3 373.457 0.892 10 0 FCAEHM Cn1nccc1C(=O)Cn1cc(I)c(=O)[n-]c1=O ZINC001656557273 1291546335 /nfs/dbraw/zinc/54/63/35/1291546335.db2.gz YKRVGOQOYMOQBM-UHFFFAOYSA-N -1 3 360.111 0.170 10 0 FCAEHM C[C@@H]1CCCN(C(=O)Cn2cncn2)[C@@H]1CCCNCc1n[nH]c(=O)[n-]1 ZINC001656631171 1291552862 /nfs/dbraw/zinc/55/28/62/1291552862.db2.gz WJBIDLNFUYDHPS-CHWSQXEVSA-N -1 3 362.438 0.299 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)CCN1Cc1cccnc1 ZINC001656970521 1291584552 /nfs/dbraw/zinc/58/45/52/1291584552.db2.gz MZRKJJRBUAELFV-OCCSQVGLSA-N -1 3 360.418 0.644 10 0 FCAEHM O=C(NC[C@H]1CCN1C1CCOCC1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001676337506 1292200627 /nfs/dbraw/zinc/20/06/27/1292200627.db2.gz FCQGVWICAPFBJO-TZMCWYRMSA-N -1 3 364.450 0.653 10 0 FCAEHM C[C@@H]1CCN(C(=O)c2cnc[n-]c2=O)[C@H](CNC(=O)[C@@]2(F)CCOC2)C1 ZINC001684733133 1292324779 /nfs/dbraw/zinc/32/47/79/1292324779.db2.gz NURFPJAXMFRXLK-BWACUDIHSA-N -1 3 366.393 0.668 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)NCc1nc(CNC(=O)[C@H](C)OC)cc(=O)[n-]1 ZINC001684815349 1292340197 /nfs/dbraw/zinc/34/01/97/1292340197.db2.gz HSCHZDJOKMWEAD-UHTWSYAYSA-N -1 3 366.418 0.265 10 0 FCAEHM Cc1nc(C)c(CC(=O)N2CC[C@H](NC(=O)COC(C)C)[C@H]2C)c(=O)[n-]1 ZINC001685183356 1292445517 /nfs/dbraw/zinc/44/55/17/1292445517.db2.gz SKJYAHUMSZUXBT-DOMZBBRYSA-N -1 3 364.446 0.872 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)c2cccc3n[n-]nc32)CCN1C(=O)CNC(=O)C1CC1 ZINC001685248049 1292469171 /nfs/dbraw/zinc/46/91/71/1292469171.db2.gz SOLWOAPYVRRIIX-MFKMUULPSA-N -1 3 370.413 0.203 10 0 FCAEHM COCCC[C@H](C)C(=O)N1CC[C@H](NC(=O)c2cnc[n-]c2=O)[C@H]1C ZINC001685282832 1292482609 /nfs/dbraw/zinc/48/26/09/1292482609.db2.gz PWRUADBETNPUFC-SCRDCRAPSA-N -1 3 350.419 0.964 10 0 FCAEHM C[C@H](Oc1cccnc1)C(=O)N[C@H]1CCN(C(=O)c2cnc[n-]c2=O)[C@@H]1C ZINC001685384065 1292522472 /nfs/dbraw/zinc/52/24/72/1292522472.db2.gz WIWQBJQKLDQOIR-XUJVJEKNSA-N -1 3 371.397 0.764 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CCC2(CNC(=O)O2)CC1 ZINC001685649502 1292582983 /nfs/dbraw/zinc/58/29/83/1292582983.db2.gz LHOAZPIDXLAHQF-LLVKDONJSA-N -1 3 362.390 0.045 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N[C@@H]1CCCC(F)(F)[C@H]1O ZINC001685649447 1292583403 /nfs/dbraw/zinc/58/34/03/1292583403.db2.gz KGTRTZBNZSQIPB-BREBYQMCSA-N -1 3 357.361 0.609 10 0 FCAEHM CO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCc1c(C)nc[n-]c1=O ZINC001685969232 1292712273 /nfs/dbraw/zinc/71/22/73/1292712273.db2.gz QDDTWLJEISHDTQ-UXOAXIEHSA-N -1 3 362.430 0.706 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCCC(N)=O ZINC001686078295 1292757168 /nfs/dbraw/zinc/75/71/68/1292757168.db2.gz YJVXQUHFAKBKPW-WOPDTQHZSA-N -1 3 361.402 0.008 10 0 FCAEHM Cn1nccc1[C@@H]1COCCN1C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001687789878 1293014717 /nfs/dbraw/zinc/01/47/17/1293014717.db2.gz NJXBJDOLYPSAGJ-JSGCOSHPSA-N -1 3 373.417 0.278 10 0 FCAEHM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]CCCN1CCCC1=O ZINC000750987782 836456390 /nfs/dbraw/zinc/45/63/90/836456390.db2.gz DQAHAPNXNJDYSI-UHFFFAOYSA-N -1 3 358.420 0.186 10 0 FCAEHM O=S(=O)([N-]CCCN1CCCS1(=O)=O)c1cnc(Cl)c(F)c1 ZINC000804983319 836496734 /nfs/dbraw/zinc/49/67/34/836496734.db2.gz MEPZFRLIAGYFNY-UHFFFAOYSA-N -1 3 371.843 0.578 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1 ZINC001118832445 847599361 /nfs/dbraw/zinc/59/93/61/847599361.db2.gz GEBIGFICVZHCDV-UHFFFAOYSA-N -1 3 368.390 0.526 10 0 FCAEHM CCS(=O)(=O)N(C)CC(=O)N[C@@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001140274134 849360067 /nfs/dbraw/zinc/36/00/67/849360067.db2.gz ZNGMYJPTUJPAFY-MNOVXSKESA-N -1 3 372.447 0.148 10 0 FCAEHM CC(C)(C)OC(=O)Cn1cc(C(=O)NCCCc2cc(=O)[nH][n-]2)nn1 ZINC001141691524 849406147 /nfs/dbraw/zinc/40/61/47/849406147.db2.gz VYNFVDPAGHIEKZ-UHFFFAOYSA-N -1 3 350.379 0.006 10 0 FCAEHM C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001144503216 849523791 /nfs/dbraw/zinc/52/37/91/849523791.db2.gz TZDOFAAFADBETE-VHSXEESVSA-N -1 3 370.456 0.860 10 0 FCAEHM C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001144520305 849525334 /nfs/dbraw/zinc/52/53/34/849525334.db2.gz ZYBFOEVZONABLV-SSDOTTSWSA-N -1 3 374.469 0.516 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC001149257792 849633949 /nfs/dbraw/zinc/63/39/49/849633949.db2.gz YTKUXXUGNACIQL-LBPRGKRZSA-N -1 3 364.427 0.369 10 0 FCAEHM CS(=O)(=O)c1ccc(N)c(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)c1 ZINC001164329452 850407627 /nfs/dbraw/zinc/40/76/27/850407627.db2.gz GHWGYANUVXPJHN-VIFPVBQESA-N -1 3 350.400 0.731 10 0 FCAEHM O=C(CCNS(=O)(=O)c1cccs1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001164322876 850407686 /nfs/dbraw/zinc/40/76/86/850407686.db2.gz TXYRWFULJXBCRW-JTQLQIEISA-N -1 3 370.456 0.861 10 0 FCAEHM O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001164338848 850407981 /nfs/dbraw/zinc/40/79/81/850407981.db2.gz PPWRNZKTYXKHHJ-GHMZBOCLSA-N -1 3 364.427 0.652 10 0 FCAEHM CN(C)S(=O)(=O)c1ccc(CC(=O)NCCCc2c[n-][nH]c2=O)cc1 ZINC001168401894 850585283 /nfs/dbraw/zinc/58/52/83/850585283.db2.gz BRJWPHYOMWLSRY-ZDUSSCGKSA-N -1 3 366.443 0.108 10 0 FCAEHM COC(=O)[C@@]1(O)CCN(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)C1 ZINC001175863142 850776864 /nfs/dbraw/zinc/77/68/64/850776864.db2.gz QCANKNWREJWHST-MRXNPFEDSA-N -1 3 350.758 0.932 10 0 FCAEHM COc1cc(C(=O)N[C@@H]2CC[C@H](CS(N)(=O)=O)C2)cc(OC)c1[O-] ZINC001181473659 851113295 /nfs/dbraw/zinc/11/32/95/851113295.db2.gz NXQROZVPBOQITM-GXSJLCMTSA-N -1 3 358.416 0.596 10 0 FCAEHM CCOC(=O)c1nc(CNC(=O)C[C@@H](n2ccnc2)C(F)(F)F)n[n-]1 ZINC001183192702 851230864 /nfs/dbraw/zinc/23/08/64/851230864.db2.gz CRVAJXXYJVOWFX-MRVPVSSYSA-N -1 3 360.296 0.988 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)C[C@@H](n2ccnc2)C(F)(F)F)[n-]1 ZINC001183192702 851230866 /nfs/dbraw/zinc/23/08/66/851230866.db2.gz CRVAJXXYJVOWFX-MRVPVSSYSA-N -1 3 360.296 0.988 10 0 FCAEHM CCOC(=O)c1n[n-]c(CNC(=O)C[C@@H](n2ccnc2)C(F)(F)F)n1 ZINC001183192702 851230868 /nfs/dbraw/zinc/23/08/68/851230868.db2.gz CRVAJXXYJVOWFX-MRVPVSSYSA-N -1 3 360.296 0.988 10 0 FCAEHM COC(=O)CCN(Cc1nc2c(c(=O)[n-]1)COCC2)CC(OC)OC ZINC001193282898 852402095 /nfs/dbraw/zinc/40/20/95/852402095.db2.gz OOAQITDELDTENZ-UHFFFAOYSA-N -1 3 355.391 0.239 10 0 FCAEHM CC(C)[C@H](CO)NC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001235782931 857432217 /nfs/dbraw/zinc/43/22/17/857432217.db2.gz VWEAVQCZYRMOSN-LBPRGKRZSA-N -1 3 365.402 0.559 10 0 FCAEHM Cn1[n-]c(CNCCN(CCO)C(=O)[C@@H]2C[C@H]2CC(C)(C)C)nc1=O ZINC001279716750 863021351 /nfs/dbraw/zinc/02/13/51/863021351.db2.gz FXLMXVFSRVLSPC-QWHCGFSZSA-N -1 3 353.467 0.091 10 0 FCAEHM CCOCc1nc([C@H](C)[N-]S(=O)(=O)C[C@@H](OC)[C@H]2CCOC2)no1 ZINC001261580718 858598048 /nfs/dbraw/zinc/59/80/48/858598048.db2.gz YDIOXIVOEMBTKV-SDDRHHMPSA-N -1 3 363.436 0.638 10 0 FCAEHM CCC(CC)[C@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001281680541 863620257 /nfs/dbraw/zinc/62/02/57/863620257.db2.gz FSADYMCJLBJKFY-ZLKJLUDKSA-N -1 3 350.419 0.556 10 0 FCAEHM CC(C)COCCC(=O)N1C[C@@H](NC(=O)c2ccccc2[O-])[C@@H](O)C1 ZINC001281866777 863847872 /nfs/dbraw/zinc/84/78/72/863847872.db2.gz WSIVFLDYTRWCDJ-ZBFHGGJFSA-N -1 3 350.415 0.756 10 0 FCAEHM CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2cnc[n-]c2=O)C1 ZINC001282546225 864338925 /nfs/dbraw/zinc/33/89/25/864338925.db2.gz MTZWVBHPLQJIFJ-FRRDWIJNSA-N -1 3 350.419 0.822 10 0 FCAEHM CC[C@@H](OC)C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@H]2CC)n1 ZINC001290364332 865399970 /nfs/dbraw/zinc/39/99/70/865399970.db2.gz LZJYAPBBTKBHRV-RAIGVLPGSA-N -1 3 350.419 0.886 10 0 FCAEHM CCOCCO[C@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn[n-]n1)C2 ZINC001292152289 865694574 /nfs/dbraw/zinc/69/45/74/865694574.db2.gz DKZPQYHTEGYPNH-BYNQJWBRSA-N -1 3 351.407 0.108 10 0 FCAEHM COCCO[C@H]1C[C@@H](CO)CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001297261666 866018210 /nfs/dbraw/zinc/01/82/10/866018210.db2.gz YAVGDMCLBPFSFJ-YPMHNXCESA-N -1 3 351.403 0.546 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCCCC1(O)CCC1 ZINC001299498999 866179185 /nfs/dbraw/zinc/17/91/85/866179185.db2.gz UYFSBQBLCQVEMY-UHFFFAOYSA-N -1 3 360.208 0.523 10 0 FCAEHM Cc1nc2ccccc2c(=O)n1CC(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001300197725 866214410 /nfs/dbraw/zinc/21/44/10/866214410.db2.gz BFIIUKIHENBPKF-UHFFFAOYSA-N -1 3 357.395 0.806 10 0 FCAEHM C[C@H]1C(=O)N([N-]C(=O)c2ccc(NS(C)(=O)=O)cc2Cl)C(=O)N1C ZINC001301136621 866250537 /nfs/dbraw/zinc/25/05/37/866250537.db2.gz YPZAIWHPEUKWBP-ZETCQYMHSA-N -1 3 374.806 0.639 10 0 FCAEHM CN1C(=O)[C@H]2CN(C(=O)c3c[n-]c4c(Cl)cccc4c3=O)C[C@H]2C1=O ZINC001302539681 866340524 /nfs/dbraw/zinc/34/05/24/866340524.db2.gz UBQXHVOOFJJHST-PHIMTYICSA-N -1 3 359.769 0.868 10 0 FCAEHM O=C(NCc1ccc([O-])c(Br)c1)C(=O)N1CC=C[C@H]1CO ZINC001350461983 866600103 /nfs/dbraw/zinc/60/01/03/866600103.db2.gz ZBSIHUUFOIFKML-JTQLQIEISA-N -1 3 355.188 0.530 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]Cc1nc2c(s1)COCC2)[C@H]1CCOC1 ZINC001350889290 866722165 /nfs/dbraw/zinc/72/21/65/866722165.db2.gz IJJPVKKYPOBBCO-CMPLNLGQSA-N -1 3 362.473 0.687 10 0 FCAEHM COC(=O)[C@@H](CF)[N-]S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC001322567666 868863488 /nfs/dbraw/zinc/86/34/88/868863488.db2.gz NXMRIWXIKDEIOL-MRVPVSSYSA-N -1 3 366.754 0.460 10 0 FCAEHM O=C(NCc1nc(C(F)(F)F)n[n-]1)C(=O)N1CC(CC(F)(F)F)C1 ZINC001324034477 869454901 /nfs/dbraw/zinc/45/49/01/869454901.db2.gz KJISWJVZMLUBHB-UHFFFAOYSA-N -1 3 359.230 0.851 10 0 FCAEHM [NH3+]CCCC[C@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C(=O)[O-] ZINC001324710627 869657901 /nfs/dbraw/zinc/65/79/01/869657901.db2.gz KQSZCJPQFAWGLG-QMMMGPOBSA-N -1 3 355.338 0.961 10 0 FCAEHM C[C@H](NC(=O)C(=O)N(C)C[C@@H]1CCCN1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001327160621 870694323 /nfs/dbraw/zinc/69/43/23/870694323.db2.gz OSIJUFXTDPTHPP-XDQVBPFNSA-N -1 3 353.463 0.791 10 0 FCAEHM CC(=O)NCCN(C(=O)C[C@@H](N)c1cc(C)nc(Cl)c1)[C@@H](C)C(=O)[O-] ZINC001327241028 870737270 /nfs/dbraw/zinc/73/72/70/870737270.db2.gz UBWDHPNTZIGVDJ-GXFFZTMASA-N -1 3 370.837 0.871 10 0 FCAEHM COCC(=O)NCCC[C@@H]1[C@H](C)CCCN1C(=O)c1cnc[n-]c1=O ZINC001344632450 870963646 /nfs/dbraw/zinc/96/36/46/870963646.db2.gz FNVDKAMGDIURCY-TZMCWYRMSA-N -1 3 350.419 0.966 10 0 FCAEHM CN(C)CCN(CC(=O)[O-])C(=O)[C@H](C[C@H]1COCCO1)C(F)(F)F ZINC001327930075 871145455 /nfs/dbraw/zinc/14/54/55/871145455.db2.gz ZSXMGSFAUPEMPB-QWRGUYRKSA-N -1 3 356.341 0.445 10 0 FCAEHM CCS(=O)(=O)C1(CNC(=O)C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC001328609480 871540971 /nfs/dbraw/zinc/54/09/71/871540971.db2.gz KQQNHGKKYHBWBB-UHFFFAOYSA-N -1 3 358.391 0.231 10 0 FCAEHM CC(C)(C)O[C@H]1C[C@H](NC(=O)C(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC001329228120 871901564 /nfs/dbraw/zinc/90/15/64/871901564.db2.gz RPRLUYQCFWYASY-ZKCHVHJHSA-N -1 3 363.340 0.902 10 0 FCAEHM CCc1cc(=O)[n-]c(CN2CCN([C@]3(C(=O)OC)CCOC3)CC2)n1 ZINC001329276199 871925407 /nfs/dbraw/zinc/92/54/07/871925407.db2.gz JAFUDJAFXQCZQU-QGZVFWFLSA-N -1 3 350.419 0.194 10 0 FCAEHM C[C@H]1C[C@@H](NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)c2ncnn21 ZINC001329363724 871979870 /nfs/dbraw/zinc/97/98/70/871979870.db2.gz JTOLJRQROADKET-POYBYMJQSA-N -1 3 369.179 0.125 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]c1ccc(N(C)C(C)=O)nc1)[C@H]1CCOC1 ZINC001330128862 872479611 /nfs/dbraw/zinc/47/96/11/872479611.db2.gz PKHFDRZSSXCZPH-GXTWGEPZSA-N -1 3 357.432 0.858 10 0 FCAEHM O=C([O-])c1ccc(S(=O)(=O)N2CCC(N3CC[C@@H](O)C3)CC2)c(F)c1 ZINC001332898394 873705703 /nfs/dbraw/zinc/70/57/03/873705703.db2.gz ORULUFQRQSZYOW-CYBMUJFWSA-N -1 3 372.418 0.744 10 0 FCAEHM C[C@H](NC(=O)C(=O)N(C)CCN1CCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001332945736 873727237 /nfs/dbraw/zinc/72/72/37/873727237.db2.gz OMHABLDDAKOKOP-MELADBBJSA-N -1 3 353.463 0.792 10 0 FCAEHM CC(=O)OC[C@@H](CO)[N-]C(=O)C(F)(F)c1ncccc1Br ZINC001333282626 873894292 /nfs/dbraw/zinc/89/42/92/873894292.db2.gz ZGDWDAKYDCSQIL-MRVPVSSYSA-N -1 3 367.146 0.976 10 0 FCAEHM Cc1cc(C)n(CC(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)c(=O)n1 ZINC000292062872 214074061 /nfs/dbraw/zinc/07/40/61/214074061.db2.gz UPPYNQCUQQPFJR-UHFFFAOYSA-N -1 3 357.370 0.395 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@@H](CC(C)C)C(=O)OC)cn1 ZINC000294496980 214249716 /nfs/dbraw/zinc/24/97/16/214249716.db2.gz COSSQAZUKFKDGK-LBPRGKRZSA-N -1 3 357.432 0.649 10 0 FCAEHM CO[C@H]1COCC[C@@H]1CC(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000295243903 214286328 /nfs/dbraw/zinc/28/63/28/214286328.db2.gz GHFKGKOBVBSDRS-NEPJUHHUSA-N -1 3 362.473 0.584 10 0 FCAEHM C[C@H]1CN(C(=O)CN2CC(=O)[N-]C2=O)CC[C@H]1NC(=O)OC(C)(C)C ZINC000265859827 210235837 /nfs/dbraw/zinc/23/58/37/210235837.db2.gz HHLSYZXVVNTQKE-WDEREUQCSA-N -1 3 354.407 0.300 10 0 FCAEHM CCOC(=O)CC[C@H](C)NC(=O)C[N-]S(=O)(=O)c1c(C)noc1C ZINC000291198412 214019361 /nfs/dbraw/zinc/01/93/61/214019361.db2.gz DRHBLIRMZPHANO-VIFPVBQESA-N -1 3 361.420 0.418 10 0 FCAEHM CCN(CC)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000299211550 214677929 /nfs/dbraw/zinc/67/79/29/214677929.db2.gz GCCALSZZBSGSOV-UHFFFAOYSA-N -1 3 371.459 0.693 10 0 FCAEHM CSC[C@@](C)(O)CNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000265745558 210212781 /nfs/dbraw/zinc/21/27/81/210212781.db2.gz VWYFUTOMMJGWHI-HZMBPMFUSA-N -1 3 364.464 0.723 10 0 FCAEHM O=C1CN(Cc2nc(-c3cccc(CN4CCOCC4)c3)no2)C(=O)[N-]1 ZINC000265600841 210175287 /nfs/dbraw/zinc/17/52/87/210175287.db2.gz RRJIJUPEJPIVRI-UHFFFAOYSA-N -1 3 357.370 0.621 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@H]1CCS(=O)(=O)C1 ZINC000289295625 213859970 /nfs/dbraw/zinc/85/99/70/213859970.db2.gz HOJNLUOUSFYSDB-VIFPVBQESA-N -1 3 351.402 0.148 10 0 FCAEHM COc1cccc(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)c1[O-] ZINC000265263171 210082702 /nfs/dbraw/zinc/08/27/02/210082702.db2.gz DPHRGRVOXRKCPS-UHFFFAOYSA-N -1 3 360.370 0.708 10 0 FCAEHM CN(C(=O)CN1CC(=O)[N-]C1=O)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000264950576 210022324 /nfs/dbraw/zinc/02/23/24/210022324.db2.gz UELRMLBYYPPUOZ-LBPRGKRZSA-N -1 3 364.789 0.456 10 0 FCAEHM CCOC(=O)C[C@@H](NC(=O)CN1CC(=O)[N-]C1=O)c1ccc(F)cc1 ZINC000264909296 210011922 /nfs/dbraw/zinc/01/19/22/210011922.db2.gz ZAHIOIVARSLMGV-GFCCVEGCSA-N -1 3 351.334 0.488 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000333117974 215237842 /nfs/dbraw/zinc/23/78/42/215237842.db2.gz ZGMVGYVVEWOQFT-FTYKPCCVSA-N -1 3 357.432 0.642 10 0 FCAEHM C[C@@]1(C[C@H]2CCCN2S(=O)(=O)c2ccccc2N)NC(=O)[N-]C1=O ZINC000285697048 213379145 /nfs/dbraw/zinc/37/91/45/213379145.db2.gz SCWZZDOYTPIGRW-BMIGLBTASA-N -1 3 352.416 0.410 10 0 FCAEHM CCOC(=O)c1cn[n-]c1S(=O)(=O)N1CCOC[C@@H]1CC(F)F ZINC000285511418 213351562 /nfs/dbraw/zinc/35/15/62/213351562.db2.gz YJAGISSBIVWNFJ-QMMMGPOBSA-N -1 3 353.347 0.631 10 0 FCAEHM CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CCOC[C@@H]1CC(F)F ZINC000285511418 213351565 /nfs/dbraw/zinc/35/15/65/213351565.db2.gz YJAGISSBIVWNFJ-QMMMGPOBSA-N -1 3 353.347 0.631 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000285077820 213278380 /nfs/dbraw/zinc/27/83/80/213278380.db2.gz RVKYZCITQGXKRC-YNEHKIRRSA-N -1 3 374.484 0.415 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-][C@H](c2nccn2C)C2CCOCC2)cn1C ZINC000284422220 213134997 /nfs/dbraw/zinc/13/49/97/213134997.db2.gz CMKCKVXRASMGNV-AWEZNQCLSA-N -1 3 353.448 0.908 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000366891018 216046212 /nfs/dbraw/zinc/04/62/12/216046212.db2.gz FJTRQGNGZSPYRK-SNPRPXQTSA-N -1 3 373.409 0.954 10 0 FCAEHM CCS(=O)(=O)CCN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000366904518 216047349 /nfs/dbraw/zinc/04/73/49/216047349.db2.gz KIYSTJFEEYVXHK-AWEZNQCLSA-N -1 3 368.455 0.890 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCNC[C@H]1C(F)F ZINC000367284963 216102811 /nfs/dbraw/zinc/10/28/11/216102811.db2.gz ANQRBSPYLIKIPB-ZETCQYMHSA-N -1 3 373.834 0.745 10 0 FCAEHM COC(=O)[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000367371317 216113152 /nfs/dbraw/zinc/11/31/52/216113152.db2.gz KIVUWTPIYMKVCT-FRRDWIJNSA-N -1 3 351.403 0.555 10 0 FCAEHM CCOC(=O)C(C)(C)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000280654237 212659675 /nfs/dbraw/zinc/65/96/75/212659675.db2.gz FYCBEBGAVOSDPC-UHFFFAOYSA-N -1 3 350.418 0.105 10 0 FCAEHM O=C(c1ccn(-c2ccc(F)cc2)n1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000195011586 209332233 /nfs/dbraw/zinc/33/22/33/209332233.db2.gz BXEDDGWQASDMSE-KRWDZBQOSA-N -1 3 357.345 0.826 10 0 FCAEHM O=C(c1ccn(-c2ccccc2F)n1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000195018368 209332084 /nfs/dbraw/zinc/33/20/84/209332084.db2.gz YITXJUQPULBHBV-QGZVFWFLSA-N -1 3 357.345 0.826 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)cn1 ZINC000368361219 216237360 /nfs/dbraw/zinc/23/73/60/216237360.db2.gz MLIAQSWJQRPPOV-MGPQQGTHSA-N -1 3 369.443 0.398 10 0 FCAEHM O=C1[N-]C(=O)[C@]2(CCCN(S(=O)(=O)CCc3cccc(Cl)c3)C2)N1 ZINC000368505499 216255461 /nfs/dbraw/zinc/25/54/61/216255461.db2.gz WALOCQCLXKUKLL-OAHLLOKOSA-N -1 3 371.846 0.886 10 0 FCAEHM O=C1[N-]C(=O)[C@@]2(CCCN(Cc3nc(=O)c4c5c(sc4[nH]3)CCC5)C2)N1 ZINC000192635323 209303071 /nfs/dbraw/zinc/30/30/71/209303071.db2.gz JLZXOZUUQAFFGW-KRWDZBQOSA-N -1 3 373.438 0.647 10 0 FCAEHM O=C([C@@H]1CCN(c2ccc(F)cc2)C1=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279481648 212556306 /nfs/dbraw/zinc/55/63/06/212556306.db2.gz MQBLPBGRLSCLRV-UGSOOPFHSA-N -1 3 374.372 0.379 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCN(c2cc(C(F)(F)F)ccn2)CC1 ZINC000368700876 216284312 /nfs/dbraw/zinc/28/43/12/216284312.db2.gz WUNKJHFWRRSSPD-JTQLQIEISA-N -1 3 371.319 0.347 10 0 FCAEHM O=C1[C@@H]([N-]S(=O)(=O)CCN2CCCC2)CCCN1c1cccnc1 ZINC000189814954 209262146 /nfs/dbraw/zinc/26/21/46/209262146.db2.gz CVMCMWZYRNOFEN-HNNXBMFYSA-N -1 3 352.460 0.592 10 0 FCAEHM CC[C@]1(c2ccccc2)NC(=O)N([N-]S(=O)(=O)[C@@H]2CCO[C@@H]2C)C1=O ZINC000277679458 212387745 /nfs/dbraw/zinc/38/77/45/212387745.db2.gz JBOQRZPODJDXEX-AXAPSJFSSA-N -1 3 367.427 0.856 10 0 FCAEHM C[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000277670599 212386302 /nfs/dbraw/zinc/38/63/02/212386302.db2.gz GCZYYOBKUZKKAO-RYUDHWBXSA-N -1 3 362.473 0.640 10 0 FCAEHM CN(C)c1nc(CN(C)[C@H]2CCN(C(=O)[C@@]3(C)CCCO3)C2)cc(=O)[n-]1 ZINC000276625098 212266514 /nfs/dbraw/zinc/26/65/14/212266514.db2.gz WVBIZVXHSORZEA-KBXCAEBGSA-N -1 3 363.462 0.850 10 0 FCAEHM C[C@@H](CNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F)c1nncn1C ZINC000276549168 212253938 /nfs/dbraw/zinc/25/39/38/212253938.db2.gz FWRDVQSLMNUFEJ-QWRGUYRKSA-N -1 3 369.422 0.541 10 0 FCAEHM COc1cc(NC(=O)C[N-]S(=O)(=O)[C@H]2CCO[C@@H]2C)cc(OC)c1 ZINC000275976773 212132490 /nfs/dbraw/zinc/13/24/90/212132490.db2.gz DEUZNLQVVKPEBS-YGRLFVJLSA-N -1 3 358.416 0.739 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCNC(=O)[C@@H]1C ZINC000275780279 212090594 /nfs/dbraw/zinc/09/05/94/212090594.db2.gz BHJAKHICCWSGHQ-VIFPVBQESA-N -1 3 353.400 0.519 10 0 FCAEHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000373259847 217001609 /nfs/dbraw/zinc/00/16/09/217001609.db2.gz NHESNISRHBYERX-SNVBAGLBSA-N -1 3 353.400 0.016 10 0 FCAEHM O=C(CC[C@@H]1NC(=O)[N-]C1=O)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000373950115 217078516 /nfs/dbraw/zinc/07/85/16/217078516.db2.gz DEVVVEXEWQFMNZ-NEPJUHHUSA-N -1 3 356.386 0.424 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)s1 ZINC000374146261 217101211 /nfs/dbraw/zinc/10/12/11/217101211.db2.gz RLDPQRVBKFVVRK-BBBLOLIVSA-N -1 3 358.441 0.822 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](c2nc[nH]n2)c2ccccc2)o1 ZINC000374825980 217178375 /nfs/dbraw/zinc/17/83/75/217178375.db2.gz KZOOECXBMCFLAA-CYBMUJFWSA-N -1 3 361.383 0.825 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](c2nnc[nH]2)c2ccccc2)o1 ZINC000374825980 217178378 /nfs/dbraw/zinc/17/83/78/217178378.db2.gz KZOOECXBMCFLAA-CYBMUJFWSA-N -1 3 361.383 0.825 10 0 FCAEHM CCN(CC1CC1)S(=O)(=O)[N-][C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000183946548 209153211 /nfs/dbraw/zinc/15/32/11/209153211.db2.gz NSBCDWIPQRCDCW-CQSZACIVSA-N -1 3 369.491 0.790 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)Nc1cccc2c1OCC[C@H]2O ZINC000375113170 217219985 /nfs/dbraw/zinc/21/99/85/217219985.db2.gz YWRDXBOFPRNCCR-CYBMUJFWSA-N -1 3 358.416 0.397 10 0 FCAEHM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCNC[C@@H]1c1cnn(C)c1 ZINC000181446619 209112715 /nfs/dbraw/zinc/11/27/15/209112715.db2.gz SMSYKLBZQKLJIZ-OAHLLOKOSA-N -1 3 369.429 0.089 10 0 FCAEHM CN1C(=O)CC[C@H](NC(=O)Cc2ccc(Br)cc2[O-])C1=O ZINC000425075808 247290129 /nfs/dbraw/zinc/29/01/29/247290129.db2.gz QNYDAZXTJUEHQD-JTQLQIEISA-N -1 3 355.188 0.961 10 0 FCAEHM CN1C(=O)CC[C@@H](NC(=O)Cc2ccc(Br)cc2[O-])C1=O ZINC000425075810 247290195 /nfs/dbraw/zinc/29/01/95/247290195.db2.gz QNYDAZXTJUEHQD-SNVBAGLBSA-N -1 3 355.188 0.961 10 0 FCAEHM COC(=O)Cc1n[n-]c(NC(=O)c2cnc(OC)c(Br)c2)n1 ZINC000424680084 247268962 /nfs/dbraw/zinc/26/89/62/247268962.db2.gz UGEBQUOFBDVMKE-UHFFFAOYSA-N -1 3 370.163 0.939 10 0 FCAEHM COC(=O)Cc1nnc(NC(=O)c2cnc(OC)c(Br)c2)[n-]1 ZINC000424680084 247268966 /nfs/dbraw/zinc/26/89/66/247268966.db2.gz UGEBQUOFBDVMKE-UHFFFAOYSA-N -1 3 370.163 0.939 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)c2cnc(OC)c(Br)c2)n[n-]1 ZINC000424680084 247268968 /nfs/dbraw/zinc/26/89/68/247268968.db2.gz UGEBQUOFBDVMKE-UHFFFAOYSA-N -1 3 370.163 0.939 10 0 FCAEHM COC(=O)c1conc1C(C)(C)NC(=O)CNC(=O)c1cccc([O-])c1 ZINC000425363635 247326595 /nfs/dbraw/zinc/32/65/95/247326595.db2.gz XJFRKHTUFMQEEF-UHFFFAOYSA-N -1 3 361.354 0.948 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CC[C@H]2O)cc1F ZINC000425212230 247306293 /nfs/dbraw/zinc/30/62/93/247306293.db2.gz ZIARYRRTHFDZLG-VXGBXAGGSA-N -1 3 352.409 0.389 10 0 FCAEHM CCCCOc1ccc(C(=O)N[C@@H](CO)CN2CCOCC2)c([O-])c1 ZINC000425293744 247316218 /nfs/dbraw/zinc/31/62/18/247316218.db2.gz LKKWHSJDEYCSEL-CQSZACIVSA-N -1 3 352.431 0.994 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)N[C@@H]1CC[C@H]1O ZINC000425760935 247377793 /nfs/dbraw/zinc/37/77/93/247377793.db2.gz YCKSRGFUXNASML-GHMZBOCLSA-N -1 3 365.814 0.580 10 0 FCAEHM CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2c[nH]c(=O)s2)ccc1C ZINC000436478692 248042547 /nfs/dbraw/zinc/04/25/47/248042547.db2.gz NSRGPDJMJOIDAR-UHFFFAOYSA-N -1 3 363.442 0.866 10 0 FCAEHM CS(=O)(=O)CCCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436669947 248046214 /nfs/dbraw/zinc/04/62/14/248046214.db2.gz BXTZMYXHIOMJQB-ZDUSSCGKSA-N -1 3 354.428 0.548 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)N[C@H](C)C2(S(C)(=O)=O)CC2)c([O-])c1 ZINC000436649587 248046490 /nfs/dbraw/zinc/04/64/90/248046490.db2.gz VPBBIVDIFNXKFC-GFCCVEGCSA-N -1 3 368.455 0.902 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCC(=O)NCC(F)F ZINC000435940893 248024917 /nfs/dbraw/zinc/02/49/17/248024917.db2.gz SVVQTMYQUBSPBA-UHFFFAOYSA-N -1 3 353.329 0.662 10 0 FCAEHM COc1cccc(C(=O)NCCNS(=O)(=O)Cc2ccon2)c1[O-] ZINC000436712552 248047693 /nfs/dbraw/zinc/04/76/93/248047693.db2.gz OFCWCEOAQROCLE-UHFFFAOYSA-N -1 3 355.372 0.238 10 0 FCAEHM O=C(NCc1nnc2n1CCC2)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436715494 248048527 /nfs/dbraw/zinc/04/85/27/248048527.db2.gz PLGNPBGKSBBTPK-ZDUSSCGKSA-N -1 3 355.398 0.851 10 0 FCAEHM NC(=O)c1ccc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cn1 ZINC000436859089 248052583 /nfs/dbraw/zinc/05/25/83/248052583.db2.gz WWCFIARJHYTNHN-UHFFFAOYSA-N -1 3 369.381 0.876 10 0 FCAEHM CC(C)NS(=O)(=O)NCCNC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436876738 248052993 /nfs/dbraw/zinc/05/29/93/248052993.db2.gz JZCMEQFXNUEQOQ-UHFFFAOYSA-N -1 3 355.460 0.833 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)NC[C@](C)(O)CCC(C)C)cn1C ZINC000440165807 248160654 /nfs/dbraw/zinc/16/06/54/248160654.db2.gz BMFPCRWSWVSGMY-MRXNPFEDSA-N -1 3 374.507 0.700 10 0 FCAEHM COC(=O)C1CCC([N-]S(=O)(=O)[C@@H]2CCO[C@@H]2C)(C(=O)OC)CC1 ZINC000442768820 248296182 /nfs/dbraw/zinc/29/61/82/248296182.db2.gz MGZXDVLOBNFUQN-NGWKBDRKSA-N -1 3 363.432 0.358 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000442950725 248300838 /nfs/dbraw/zinc/30/08/38/248300838.db2.gz ZAFLFNJQYKUQQH-ZDUSSCGKSA-N -1 3 373.500 0.452 10 0 FCAEHM COCCN1CCC[C@H]1C[N-]S(=O)(=O)c1ccsc1C(=O)OC ZINC000443073726 248305468 /nfs/dbraw/zinc/30/54/68/248305468.db2.gz WOFSGDIWFZSBDN-NSHDSACASA-N -1 3 362.473 0.924 10 0 FCAEHM CCc1nc(C(C)(C)[N-]S(=O)(=O)c2cc(C(=O)NC)n(C)c2)no1 ZINC000443162505 248308956 /nfs/dbraw/zinc/30/89/56/248308956.db2.gz QRUDHGHSNDCCJA-UHFFFAOYSA-N -1 3 355.420 0.544 10 0 FCAEHM COc1ccc(CNC(C)=O)cc1S(=O)(=O)[N-]C[C@H](O)C(F)(F)F ZINC000443148502 248309253 /nfs/dbraw/zinc/30/92/53/248309253.db2.gz YIDUOGVMEMCWMN-LBPRGKRZSA-N -1 3 370.349 0.533 10 0 FCAEHM O=C(N[C@@H]1CNC(=O)C1)c1c[n-]c2ccc(Br)cc2c1=O ZINC000444339435 248355479 /nfs/dbraw/zinc/35/54/79/248355479.db2.gz HPRSOUMAQSEOGF-QMMMGPOBSA-N -1 3 350.172 0.909 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(C(=O)NCC3(C)COC3)CC2)n[n-]1 ZINC000444965132 248372210 /nfs/dbraw/zinc/37/22/10/248372210.db2.gz JLUQODDXHMWIBR-UHFFFAOYSA-N -1 3 351.407 0.907 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(C(=O)NCC3(C)COC3)CC2)[n-]1 ZINC000444965132 248372213 /nfs/dbraw/zinc/37/22/13/248372213.db2.gz JLUQODDXHMWIBR-UHFFFAOYSA-N -1 3 351.407 0.907 10 0 FCAEHM CS(=O)(=O)[N-]c1cc(C(=O)NC[C@@H]2CCCCN2CCO)ccc1F ZINC000452387313 249314291 /nfs/dbraw/zinc/31/42/91/249314291.db2.gz GVKXPGRMVOGCCC-ZDUSSCGKSA-N -1 3 373.450 0.774 10 0 FCAEHM CO[C@@H]1COCC[C@@H]1CNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000452654330 249326617 /nfs/dbraw/zinc/32/66/17/249326617.db2.gz UTQFHSIUZCULDV-OUCADQQQSA-N -1 3 374.434 0.660 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)N1CC[C@](O)(C(F)F)C1 ZINC000452688231 249328216 /nfs/dbraw/zinc/32/82/16/249328216.db2.gz XVUMYSXFPSQVEU-CQSZACIVSA-N -1 3 366.361 0.723 10 0 FCAEHM CC(C)(COc1ncccc1C(F)(F)F)NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000271622321 211430501 /nfs/dbraw/zinc/43/05/01/211430501.db2.gz XDZJLYTYVRNEHM-VIFPVBQESA-N -1 3 374.319 0.972 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CSC[C@H]1C(=O)Nc1cccc(F)c1 ZINC000271391297 211393169 /nfs/dbraw/zinc/39/31/69/211393169.db2.gz VQTKDZOMIRJJPU-QWRGUYRKSA-N -1 3 366.374 0.264 10 0 FCAEHM Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000271361716 211387214 /nfs/dbraw/zinc/38/72/14/211387214.db2.gz JXORFKAYDPGXHS-NWDGAFQWSA-N -1 3 362.411 0.433 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](C)[C@H](C)CO)cc1F ZINC000271213455 211356700 /nfs/dbraw/zinc/35/67/00/211356700.db2.gz MKSCTDJAHPDARN-ZJUUUORDSA-N -1 3 368.452 0.883 10 0 FCAEHM CC(C)OCCS(=O)(=O)[N-]CC(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000271149437 211346563 /nfs/dbraw/zinc/34/65/63/211346563.db2.gz IDRMKDICUUKUMJ-UHFFFAOYSA-N -1 3 367.431 0.755 10 0 FCAEHM CC[C@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000271112913 211337848 /nfs/dbraw/zinc/33/78/48/211337848.db2.gz JIRWAGHAUYDMLI-DZKIICNBSA-N -1 3 370.413 0.669 10 0 FCAEHM C[C@@H](CO)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000271046626 211322668 /nfs/dbraw/zinc/32/26/68/211322668.db2.gz IHZXVICYMNOBBW-IUCAKERBSA-N -1 3 350.824 0.499 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N(Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000270920783 211297552 /nfs/dbraw/zinc/29/75/52/211297552.db2.gz RQRHGVAVQCXIKO-UONOGXRCSA-N -1 3 357.366 0.940 10 0 FCAEHM CN1C(=O)C[C@@H](C(=O)Nc2nnc(SCCO)[n-]2)[C@@H]1c1cccnc1 ZINC000270882374 211290026 /nfs/dbraw/zinc/29/00/26/211290026.db2.gz OXJMIIJUOQWKMP-PWSUYJOCSA-N -1 3 362.415 0.442 10 0 FCAEHM CN1C(=O)C[C@@H](C(=O)Nc2nc(SCCO)n[n-]2)[C@@H]1c1cccnc1 ZINC000270882374 211290029 /nfs/dbraw/zinc/29/00/29/211290029.db2.gz OXJMIIJUOQWKMP-PWSUYJOCSA-N -1 3 362.415 0.442 10 0 FCAEHM CN1C(=O)C[C@@H](C(=O)Nc2n[n-]c(SCCO)n2)[C@@H]1c1cccnc1 ZINC000270882374 211290032 /nfs/dbraw/zinc/29/00/32/211290032.db2.gz OXJMIIJUOQWKMP-PWSUYJOCSA-N -1 3 362.415 0.442 10 0 FCAEHM COC[C@H](O)CC[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000270871866 211287672 /nfs/dbraw/zinc/28/76/72/211287672.db2.gz TYBKVKFMYLHERF-SNVBAGLBSA-N -1 3 351.808 0.802 10 0 FCAEHM COC(=O)[C@@]1(NC(=O)C[N-]S(=O)(=O)c2cccs2)CCSC1 ZINC000270718386 211254209 /nfs/dbraw/zinc/25/42/09/211254209.db2.gz ZCJUWCBPFRWZTK-GFCCVEGCSA-N -1 3 364.470 0.191 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000270644077 211241601 /nfs/dbraw/zinc/24/16/01/211241601.db2.gz YWSHVTBDLTYZEX-ZDUSSCGKSA-N -1 3 360.370 0.318 10 0 FCAEHM CN(C[C@@H]1CCCN1C(=O)C[C@@H]1NC(=O)[N-]C1=O)C(=O)OC(C)(C)C ZINC000270616389 211236161 /nfs/dbraw/zinc/23/61/61/211236161.db2.gz RZPBGJZKRNPSHY-QWRGUYRKSA-N -1 3 354.407 0.442 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000270579177 211226843 /nfs/dbraw/zinc/22/68/43/211226843.db2.gz JHEHPSVDAZTTKZ-UWVGGRQHSA-N -1 3 350.762 0.160 10 0 FCAEHM O=C(NCc1ncccc1[O-])Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 ZINC000469904912 250011643 /nfs/dbraw/zinc/01/16/43/250011643.db2.gz GRQBLBNBRKFJPP-LBPRGKRZSA-N -1 3 355.354 0.859 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)NCC[C@@H](OC)C(F)(F)F)cn1 ZINC000469953905 250014514 /nfs/dbraw/zinc/01/45/14/250014514.db2.gz QUYBOUWHXNKRQT-SECBINFHSA-N -1 3 355.338 0.687 10 0 FCAEHM CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)c1 ZINC000270170950 211161618 /nfs/dbraw/zinc/16/16/18/211161618.db2.gz AFGIBNUAKLNNTQ-NSHDSACASA-N -1 3 368.415 0.300 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000470813957 250065616 /nfs/dbraw/zinc/06/56/16/250065616.db2.gz YGDRXBFIEUKHJJ-JOYOIKCWSA-N -1 3 359.386 0.314 10 0 FCAEHM C[C@H](NC(=O)NCc1ncccc1[O-])c1cccc(S(N)(=O)=O)c1 ZINC000471528337 250105154 /nfs/dbraw/zinc/10/51/54/250105154.db2.gz SOWLJIJZJAALCU-JTQLQIEISA-N -1 3 350.400 0.995 10 0 FCAEHM O=C(NCCCN1CCN(c2ncccn2)CC1)NCc1ncccc1[O-] ZINC000471600739 250108740 /nfs/dbraw/zinc/10/87/40/250108740.db2.gz DPYVSFBCCNOJQO-UHFFFAOYSA-N -1 3 371.445 0.589 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)cn1 ZINC000472246545 250140703 /nfs/dbraw/zinc/14/07/03/250140703.db2.gz HPZGMPZADONVRK-GFCCVEGCSA-N -1 3 363.395 0.560 10 0 FCAEHM C=CC(=O)NCCC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000269782119 211076081 /nfs/dbraw/zinc/07/60/81/211076081.db2.gz ABYQMOTYBIOMIJ-UHFFFAOYSA-N -1 3 365.864 0.488 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)NCCCc2nc(C(C)C)no2)cn1 ZINC000473886885 250254076 /nfs/dbraw/zinc/25/40/76/250254076.db2.gz OHCNAFYRDDTKHD-UHFFFAOYSA-N -1 3 367.431 0.859 10 0 FCAEHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cnc2n(c1=O)CCS2 ZINC000473938896 250260251 /nfs/dbraw/zinc/26/02/51/250260251.db2.gz HFWSAMPSQMLXCN-UHFFFAOYSA-N -1 3 355.383 0.705 10 0 FCAEHM COC(=O)[C@H](O)C(C)(C)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000480857223 250289041 /nfs/dbraw/zinc/28/90/41/250289041.db2.gz MIARUAHWNNKAKF-VIFPVBQESA-N -1 3 356.322 0.691 10 0 FCAEHM COC(=O)[C@@H]1CCN(C(=O)Nc2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)C1 ZINC000480951767 250300477 /nfs/dbraw/zinc/30/04/77/250300477.db2.gz OCNBYSRQBXTQCU-YPMHNXCESA-N -1 3 360.370 0.464 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@H](CO)[C@@H]1CCOC1 ZINC000481611090 250345621 /nfs/dbraw/zinc/34/56/21/250345621.db2.gz RLRZRROXFYJXIW-VXGBXAGGSA-N -1 3 363.457 0.013 10 0 FCAEHM COC(=O)[C@@H]1CCN(C(=O)NCC[N-]S(=O)(=O)c2cccs2)C1 ZINC000269674019 211040363 /nfs/dbraw/zinc/04/03/63/211040363.db2.gz NBBAVYVNSLVKSU-SNVBAGLBSA-N -1 3 361.445 0.231 10 0 FCAEHM CC[C@@H](CO)N1CCN(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)CC1 ZINC000269536413 211004546 /nfs/dbraw/zinc/00/45/46/211004546.db2.gz UBIDKUZRKMSPHH-ZDUSSCGKSA-N -1 3 373.450 0.726 10 0 FCAEHM O=C(Cc1ccc(Br)cc1)N1CC[C@]2(C1)NC(=O)[N-]C2=O ZINC000084796112 208109742 /nfs/dbraw/zinc/10/97/42/208109742.db2.gz IEAIBHIKNFDPLL-CQSZACIVSA-N -1 3 352.188 0.802 10 0 FCAEHM COc1nnc(NC(=O)CNC(=O)c2ccc(Br)cc2)[n-]1 ZINC000158863801 533184943 /nfs/dbraw/zinc/18/49/43/533184943.db2.gz CSTGFWRDYQMVDY-UHFFFAOYSA-N -1 3 354.164 0.944 10 0 FCAEHM COc1nc(NC(=O)CNC(=O)c2ccc(Br)cc2)n[n-]1 ZINC000158863801 533184947 /nfs/dbraw/zinc/18/49/47/533184947.db2.gz CSTGFWRDYQMVDY-UHFFFAOYSA-N -1 3 354.164 0.944 10 0 FCAEHM COc1n[n-]c(NC(=O)CNC(=O)c2ccc(Br)cc2)n1 ZINC000158863801 533184953 /nfs/dbraw/zinc/18/49/53/533184953.db2.gz CSTGFWRDYQMVDY-UHFFFAOYSA-N -1 3 354.164 0.944 10 0 FCAEHM Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000176546481 209006889 /nfs/dbraw/zinc/00/68/89/209006889.db2.gz UROFMULPSZQGBQ-KOLCDFICSA-N -1 3 369.472 0.966 10 0 FCAEHM Cc1ccccc1CN1CCN(C(=O)C2CC3(C2)NC(=O)[N-]C3=O)CC1 ZINC000178892726 209064454 /nfs/dbraw/zinc/06/44/54/209064454.db2.gz IANHGQCRINWGLW-UHFFFAOYSA-N -1 3 356.426 0.627 10 0 FCAEHM Cc1cccc(CN2C[C@H](C(=O)N3CCN(C)CC3)C[C@H](C(=O)[O-])C2)n1 ZINC000071422308 221347562 /nfs/dbraw/zinc/34/75/62/221347562.db2.gz LIDXIRRPACLEEQ-CVEARBPZSA-N -1 3 360.458 0.687 10 0 FCAEHM COC(=O)[C@H](CC1CC1)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000412500643 533250849 /nfs/dbraw/zinc/25/08/49/533250849.db2.gz FIKDPDAMPGLHDC-GWCFXTLKSA-N -1 3 372.418 0.950 10 0 FCAEHM CS(=O)(=O)NC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000409820512 533407624 /nfs/dbraw/zinc/40/76/24/533407624.db2.gz POYGJGCDMBHDKD-SKDRFNHKSA-N -1 3 351.425 0.217 10 0 FCAEHM CS(=O)(=O)NC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000409788458 533408762 /nfs/dbraw/zinc/40/87/62/533408762.db2.gz DQBUOANWDVKVOD-NOZJJQNGSA-N -1 3 368.427 0.961 10 0 FCAEHM C[C@H]1C[C@H]1CNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000265987742 229358030 /nfs/dbraw/zinc/35/80/30/229358030.db2.gz YDCHUEKLUXSSNT-UWVGGRQHSA-N -1 3 369.418 0.977 10 0 FCAEHM COCc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1cccc2nonc21 ZINC000268801246 229401773 /nfs/dbraw/zinc/40/17/73/229401773.db2.gz PZVCRBSYUDSDAO-JTQLQIEISA-N -1 3 364.387 0.774 10 0 FCAEHM CCn1cc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2CNS(C)(=O)=O)nc1C ZINC000409810334 230046874 /nfs/dbraw/zinc/04/68/74/230046874.db2.gz HTOPULGFNPXFEJ-NEPJUHHUSA-N -1 3 364.493 0.208 10 0 FCAEHM Cc1n[nH]c(C)c1[N-]S(=O)(=O)CCCS(=O)(=O)NCC1CC1 ZINC000349562469 489315669 /nfs/dbraw/zinc/31/56/69/489315669.db2.gz DWPQWGZPKISGAH-UHFFFAOYSA-N -1 3 350.466 0.488 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CCNc1cnccn1 ZINC000511782246 484468781 /nfs/dbraw/zinc/46/87/81/484468781.db2.gz YOXVCXYWUOSOAZ-UHFFFAOYSA-N -1 3 356.429 0.271 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@]2(O)CCO[C@H]2C)c(Cl)c1 ZINC000278625321 488885502 /nfs/dbraw/zinc/88/55/02/488885502.db2.gz DSHTZURQXVZUPC-XPTSAGLGSA-N -1 3 363.819 0.945 10 0 FCAEHM CCCN(C)S(=O)(=O)[N-]c1cnn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000363793703 488886116 /nfs/dbraw/zinc/88/61/16/488886116.db2.gz RYUCQNIIDYSXGT-BETUJISGSA-N -1 3 373.479 0.517 10 0 FCAEHM COc1ccc(S(=O)(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1OC ZINC000278675162 488888929 /nfs/dbraw/zinc/88/89/29/488888929.db2.gz IDMBCXINEOKBCV-OAHLLOKOSA-N -1 3 369.399 0.067 10 0 FCAEHM Cc1cnc2c(cccc2S(=O)(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000278823938 488898001 /nfs/dbraw/zinc/89/80/01/488898001.db2.gz UERZKHZQDVZTRS-KRWDZBQOSA-N -1 3 374.422 0.906 10 0 FCAEHM CCCOc1cccc(CNC(=O)CN2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000279015423 488911546 /nfs/dbraw/zinc/91/15/46/488911546.db2.gz FYUBOMBINZLCEO-LJQANCHMSA-N -1 3 374.441 0.766 10 0 FCAEHM CCOC(=O)c1ccc(NC(=O)CN2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000279034227 488911837 /nfs/dbraw/zinc/91/18/37/488911837.db2.gz IICUQNMJOGZDDZ-SFHVURJKSA-N -1 3 374.397 0.476 10 0 FCAEHM COc1ccc(NC(=O)CN2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1Cl ZINC000279074758 488915353 /nfs/dbraw/zinc/91/53/53/488915353.db2.gz NEXZUGJMYPWXMP-MRXNPFEDSA-N -1 3 366.805 0.961 10 0 FCAEHM CCn1nccc1N1CCC[C@@H]([N-]S(=O)(=O)CC[C@@H]2CCCO2)C1=O ZINC000328610185 488923240 /nfs/dbraw/zinc/92/32/40/488923240.db2.gz GVSROTWDRFEOPA-UONOGXRCSA-N -1 3 370.475 0.887 10 0 FCAEHM Cc1cccc(OCCNC(=O)CN2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000279148595 488919854 /nfs/dbraw/zinc/91/98/54/488919854.db2.gz YKOWPDBETPFPBH-SFHVURJKSA-N -1 3 360.414 0.164 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCC[C@@H]1c1cc[nH]n1 ZINC000279289393 488929850 /nfs/dbraw/zinc/92/98/50/488929850.db2.gz YLNFPIURJMBNPU-SNVBAGLBSA-N -1 3 368.191 0.798 10 0 FCAEHM C[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](N(C)Cc2cc(=O)[n-]c(N(C)C)n2)C1 ZINC000328629017 488925190 /nfs/dbraw/zinc/92/51/90/488925190.db2.gz HTUTUWBQYIKUKT-QEJZJMRPSA-N -1 3 363.462 0.706 10 0 FCAEHM O=C(c1cc(F)cc2[n-]nnc21)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000328662162 488928068 /nfs/dbraw/zinc/92/80/68/488928068.db2.gz XEYOVASYAUQWHG-LLVKDONJSA-N -1 3 361.377 0.808 10 0 FCAEHM O=C(c1cc(F)cc2nn[n-]c21)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000328662162 488928070 /nfs/dbraw/zinc/92/80/70/488928070.db2.gz XEYOVASYAUQWHG-LLVKDONJSA-N -1 3 361.377 0.808 10 0 FCAEHM O=C(c1cc(F)cc2n[n-]nc21)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000328662162 488928072 /nfs/dbraw/zinc/92/80/72/488928072.db2.gz XEYOVASYAUQWHG-LLVKDONJSA-N -1 3 361.377 0.808 10 0 FCAEHM O=C(CNC(=O)c1cccc(Cl)c1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279413082 488940048 /nfs/dbraw/zinc/94/00/48/488940048.db2.gz HRJQSLNQUSODSD-INIZCTEOSA-N -1 3 364.789 0.270 10 0 FCAEHM Cc1c(C(=O)N2CC[C@@]3(C2)NC(=O)[N-]C3=O)cnn1Cc1ccccc1 ZINC000364280010 488943806 /nfs/dbraw/zinc/94/38/06/488943806.db2.gz IMCJAOLFLOIRQP-SFHVURJKSA-N -1 3 353.382 0.664 10 0 FCAEHM O=C([C@H]1CCN(c2ccc(F)cc2)C1=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279481641 488945798 /nfs/dbraw/zinc/94/57/98/488945798.db2.gz MQBLPBGRLSCLRV-ACJLOTCBSA-N -1 3 374.372 0.379 10 0 FCAEHM O=C(c1ccc(-n2cc[nH]c2=S)cc1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279503364 488947802 /nfs/dbraw/zinc/94/78/02/488947802.db2.gz OBDKDTUITAMDQK-KRWDZBQOSA-N -1 3 371.422 0.975 10 0 FCAEHM CN(CC(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O)C(=O)OCc1ccccc1 ZINC000279516366 488948907 /nfs/dbraw/zinc/94/89/07/488948907.db2.gz PAJIXROYPISVKK-SFHVURJKSA-N -1 3 374.397 0.456 10 0 FCAEHM O=C(c1cccnc1OCC(F)(F)F)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279571208 488953315 /nfs/dbraw/zinc/95/33/15/488953315.db2.gz SUUYNFVUMNIMKH-AWEZNQCLSA-N -1 3 372.303 0.837 10 0 FCAEHM CC(C)(C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O)c1ccc2c(c1)OCCO2 ZINC000279645537 488958736 /nfs/dbraw/zinc/95/87/36/488958736.db2.gz ZKRLDJCXBCVBDG-IBGZPJMESA-N -1 3 373.409 0.936 10 0 FCAEHM COc1cccc(-c2cc(C(=O)N3CCC[C@]4(C3)NC(=O)[N-]C4=O)[nH]n2)c1 ZINC000279649784 488959513 /nfs/dbraw/zinc/95/95/13/488959513.db2.gz ZSPRTGCPEUIBKF-GOSISDBHSA-N -1 3 369.381 0.900 10 0 FCAEHM CS(=O)(=O)NCCCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000052393986 488166505 /nfs/dbraw/zinc/16/65/05/488166505.db2.gz HOPVXIKHQVSVRO-CYBMUJFWSA-N -1 3 369.443 0.052 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCO[C@@H](C2CC2)C1 ZINC000364504252 488966746 /nfs/dbraw/zinc/96/67/46/488966746.db2.gz MBLXSOKTHAVFAQ-SNVBAGLBSA-N -1 3 358.192 0.349 10 0 FCAEHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1 ZINC000055114663 488236122 /nfs/dbraw/zinc/23/61/22/488236122.db2.gz AKRVZLYKSUJUAU-UHFFFAOYSA-N -1 3 363.395 0.928 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000056247657 488254218 /nfs/dbraw/zinc/25/42/18/488254218.db2.gz QLJIKOQXIFOMHA-ZDUSSCGKSA-N -1 3 365.434 0.207 10 0 FCAEHM Cc1csc([C@H](C)NC(=O)C[N-]S(=O)(=O)c2cn(C)c(C)n2)n1 ZINC000067938490 488358383 /nfs/dbraw/zinc/35/83/83/488358383.db2.gz XSOYKIOFVBOLPY-VIFPVBQESA-N -1 3 357.461 0.649 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1C[C@H](C(N)=O)CC[C@H]1C ZINC000068098855 488360499 /nfs/dbraw/zinc/36/04/99/488360499.db2.gz FCMZKTRMEFJGTG-GRYCIOLGSA-N -1 3 371.434 0.605 10 0 FCAEHM CCCS(=O)(=O)Nc1ccc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000068123355 488361020 /nfs/dbraw/zinc/36/10/20/488361020.db2.gz JXLXUMLVNZWMDO-NSHDSACASA-N -1 3 354.388 0.375 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)Nc1nc2c(s1)C(=O)CCC2 ZINC000268149482 488390498 /nfs/dbraw/zinc/39/04/98/488390498.db2.gz KKFIBTZTXLNULM-UHFFFAOYSA-N -1 3 361.445 0.557 10 0 FCAEHM Cc1csc(C2(NC(=O)C[N-]S(=O)(=O)c3cn(C)cn3)CCC2)n1 ZINC000268208721 488396944 /nfs/dbraw/zinc/39/69/44/488396944.db2.gz ZROWINXQOWINFA-UHFFFAOYSA-N -1 3 369.472 0.659 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCCO[C@@H]1CCOC1 ZINC000268215983 488397389 /nfs/dbraw/zinc/39/73/89/488397389.db2.gz IVVBRTUALVRWPC-QWHCGFSZSA-N -1 3 374.434 0.804 10 0 FCAEHM Cn1nnc2ccc(C(=O)NCC[N-]S(=O)(=O)c3cccs3)cc21 ZINC000185085798 488399801 /nfs/dbraw/zinc/39/98/01/488399801.db2.gz BWKGFAITUVJWDV-UHFFFAOYSA-N -1 3 365.440 0.738 10 0 FCAEHM CN(C)[C@H](CNC(=O)CN1CC(=O)[N-]C1=O)c1cccc(C(F)(F)F)c1 ZINC000186134558 488404710 /nfs/dbraw/zinc/40/47/10/488404710.db2.gz KWTIKUXNPCWURM-GFCCVEGCSA-N -1 3 372.347 0.976 10 0 FCAEHM CCN1CCN(CC(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)CC1 ZINC000081965868 488445157 /nfs/dbraw/zinc/44/51/57/488445157.db2.gz CORGWHYPPUJREI-UHFFFAOYSA-N -1 3 360.458 0.314 10 0 FCAEHM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000246835643 488477084 /nfs/dbraw/zinc/47/70/84/488477084.db2.gz UDRPFFYWPPEXJO-RYUDHWBXSA-N -1 3 361.446 0.095 10 0 FCAEHM CC(C)n1ccc(Cn2cc(I)c(=O)[n-]c2=O)n1 ZINC000094206866 488480630 /nfs/dbraw/zinc/48/06/30/488480630.db2.gz KSXURKARULEVNE-UHFFFAOYSA-N -1 3 360.155 0.967 10 0 FCAEHM Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000269237448 488481421 /nfs/dbraw/zinc/48/14/21/488481421.db2.gz HBHUWPHBINIEOK-UGSOOPFHSA-N -1 3 368.397 0.906 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)CCCN2C(=O)NC(C)(C)C2=O)n[n-]1 ZINC000269411758 488500707 /nfs/dbraw/zinc/50/07/07/488500707.db2.gz ZUKMEFWIUUOJBG-UHFFFAOYSA-N -1 3 359.390 0.859 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)CCCN2C(=O)NC(C)(C)C2=O)[n-]n1 ZINC000269411758 488500709 /nfs/dbraw/zinc/50/07/09/488500709.db2.gz ZUKMEFWIUUOJBG-UHFFFAOYSA-N -1 3 359.390 0.859 10 0 FCAEHM CCOC(=O)CNC(=O)C1CCN(C(=O)c2cccc(OC)c2[O-])CC1 ZINC000269496562 488509663 /nfs/dbraw/zinc/50/96/63/488509663.db2.gz POKQCSGMINXXCF-UHFFFAOYSA-N -1 3 364.398 0.932 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000270606399 488517074 /nfs/dbraw/zinc/51/70/74/488517074.db2.gz PQWNVXAKHMANFG-RYUDHWBXSA-N -1 3 363.349 0.146 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000271503790 488523249 /nfs/dbraw/zinc/52/32/49/488523249.db2.gz DNVFTSKLEVXVKK-UWVGGRQHSA-N -1 3 356.176 0.197 10 0 FCAEHM CC(C)(COc1ccc(C(F)(F)F)cn1)NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000271548427 488525970 /nfs/dbraw/zinc/52/59/70/488525970.db2.gz KZHBKGFCMYAIPL-VIFPVBQESA-N -1 3 374.319 0.972 10 0 FCAEHM CCOC(=O)c1cn[n-]c1S(=O)(=O)N1CCNC[C@@H]1c1cccnc1 ZINC000261800311 488536685 /nfs/dbraw/zinc/53/66/85/488536685.db2.gz VUJKWYQYUKQWOV-CYBMUJFWSA-N -1 3 365.415 0.317 10 0 FCAEHM CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CCNC[C@@H]1c1cccnc1 ZINC000261800311 488536688 /nfs/dbraw/zinc/53/66/88/488536688.db2.gz VUJKWYQYUKQWOV-CYBMUJFWSA-N -1 3 365.415 0.317 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000114858210 488542382 /nfs/dbraw/zinc/54/23/82/488542382.db2.gz YEPLXSHBSSOGOA-AWEZNQCLSA-N -1 3 372.425 0.059 10 0 FCAEHM Cc1nn(C)c(C)c1CCNC(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000122132456 488575690 /nfs/dbraw/zinc/57/56/90/488575690.db2.gz JUPZJORFZPTZIY-UHFFFAOYSA-N -1 3 369.425 0.789 10 0 FCAEHM CC[C@H](C)C[C@@H]([N-]S(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1)C(=O)OC ZINC000569966345 491207074 /nfs/dbraw/zinc/20/70/74/491207074.db2.gz TVPGLFODHLFLMI-YNEHKIRRSA-N -1 3 369.505 0.708 10 0 FCAEHM COC[C@@](C)(CCO)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000272414912 488579361 /nfs/dbraw/zinc/57/93/61/488579361.db2.gz DOOSSIHQFZVAQG-GXFFZTMASA-N -1 3 350.462 0.319 10 0 FCAEHM CCCCCN(CC(N)=O)C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000272602658 488591781 /nfs/dbraw/zinc/59/17/81/488591781.db2.gz UQTOKYWWEVXAHR-LBPRGKRZSA-N -1 3 373.450 0.997 10 0 FCAEHM CC(C)Oc1cccnc1C(=O)N1CCO[C@H](CN(C)CC(=O)[O-])C1 ZINC000262861802 488596934 /nfs/dbraw/zinc/59/69/34/488596934.db2.gz LIQKJMLEXPDFLH-CYBMUJFWSA-N -1 3 351.403 0.726 10 0 FCAEHM CN(CC(=O)[O-])C[C@H]1CN(CC(=O)NC2CCCCCCC2)CCO1 ZINC000262886788 488597730 /nfs/dbraw/zinc/59/77/30/488597730.db2.gz ODNNKDJMIMPKBR-INIZCTEOSA-N -1 3 355.479 0.933 10 0 FCAEHM COc1ccc(O[C@@H](C)C(=O)N2CCO[C@H](CN(C)CC(=O)[O-])C2)cc1 ZINC000262969730 488601647 /nfs/dbraw/zinc/60/16/47/488601647.db2.gz RRKPJZHWKVITKN-XJKSGUPXSA-N -1 3 366.414 0.706 10 0 FCAEHM C[C@]1(c2ccc(CNC(=O)[C@@H]3CC(F)(F)CN3)cc2)NC(=O)[N-]C1=O ZINC000263223668 488606641 /nfs/dbraw/zinc/60/66/41/488606641.db2.gz MLJYZZCTQCBNDI-XHDPSFHLSA-N -1 3 352.341 0.355 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000272829782 488609182 /nfs/dbraw/zinc/60/91/82/488609182.db2.gz YGMRYKNIMRLVQB-UHFFFAOYSA-N -1 3 357.345 0.448 10 0 FCAEHM CCc1noc(C)c1NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000133282392 488658992 /nfs/dbraw/zinc/65/89/92/488658992.db2.gz ZUHGXTUODLWLAS-UHFFFAOYSA-N -1 3 357.164 0.797 10 0 FCAEHM CN1CC[C@H](NC(=O)C[C@@H]2NC(=O)[N-]C2=O)[C@@H]1c1ccc(Cl)cc1 ZINC000134364450 488666830 /nfs/dbraw/zinc/66/68/30/488666830.db2.gz WVYGVOSYJLUCFT-OBJOEFQTSA-N -1 3 350.806 0.800 10 0 FCAEHM C[C@@H](CCNC(=O)CCn1[n-]c(=O)c2ccccc2c1=O)[S@](C)=O ZINC000134761960 488668768 /nfs/dbraw/zinc/66/87/68/488668768.db2.gz ZMTYJUXYEHHTQK-APXPCNQMSA-N -1 3 351.428 0.353 10 0 FCAEHM COc1ccc([C@H](CNC(=O)CN2CC(=O)[N-]C2=O)N2CCCC2)cc1 ZINC000264719370 488702474 /nfs/dbraw/zinc/70/24/74/488702474.db2.gz PFDAIKPEOKXTLX-HNNXBMFYSA-N -1 3 360.414 0.500 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC[C@H](c3nccs3)C2)c1 ZINC000151258709 488703394 /nfs/dbraw/zinc/70/33/94/488703394.db2.gz KCPFRNSREFPTFA-NSHDSACASA-N -1 3 369.472 0.561 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000274600976 488722870 /nfs/dbraw/zinc/72/28/70/488722870.db2.gz DTUMEAYXUDPGGN-LBPRGKRZSA-N -1 3 355.753 0.931 10 0 FCAEHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC(CO)C2)cc1 ZINC000274809548 488735307 /nfs/dbraw/zinc/73/53/07/488735307.db2.gz SVEADWDFLBCAKJ-UHFFFAOYSA-N -1 3 362.473 0.841 10 0 FCAEHM Cc1ccn2ncc(C(=O)NCC[N-]S(=O)(=O)c3cccs3)c2n1 ZINC000154789893 488747875 /nfs/dbraw/zinc/74/78/75/488747875.db2.gz VJPSPSQHSAJHHO-UHFFFAOYSA-N -1 3 365.440 0.808 10 0 FCAEHM O=C(N[C@@H]1CCCN(c2ccccc2F)C1)C1CC2(C1)NC(=O)[N-]C2=O ZINC000154949030 488749415 /nfs/dbraw/zinc/74/94/15/488749415.db2.gz AVPLZZBPCJTNQB-BJCXPLBRSA-N -1 3 360.389 0.899 10 0 FCAEHM CNS(=O)(=O)[C@@H]1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000155721701 488758507 /nfs/dbraw/zinc/75/85/07/488758507.db2.gz VPKMQDNFMJWWQK-SNVBAGLBSA-N -1 3 362.411 0.793 10 0 FCAEHM Cc1nc2n(n1)CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F)C2 ZINC000267107126 488761471 /nfs/dbraw/zinc/76/14/71/488761471.db2.gz QIIBASMKZGFZNK-JTQLQIEISA-N -1 3 367.406 0.435 10 0 FCAEHM C[C@H](O)CN1CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)CC1 ZINC000275110145 488762458 /nfs/dbraw/zinc/76/24/58/488762458.db2.gz CKXLXIJWOWYMRZ-STQMWFEESA-N -1 3 373.450 0.018 10 0 FCAEHM Cc1cn2cc(NC(=O)C[N-]S(=O)(=O)CCOC(C)C)ccc2n1 ZINC000267121321 488762864 /nfs/dbraw/zinc/76/28/64/488762864.db2.gz JYCMHIGSNWHDJE-UHFFFAOYSA-N -1 3 354.432 0.926 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N(C)[C@@H](C)C[S@@](C)=O ZINC000159158321 488783852 /nfs/dbraw/zinc/78/38/52/488783852.db2.gz VZKFHTDPHMJENR-GANBNBROSA-N -1 3 364.464 0.718 10 0 FCAEHM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-][C@H]2CNCCC2(F)F)c1 ZINC000563129957 491218580 /nfs/dbraw/zinc/21/85/80/491218580.db2.gz KTQBCLPVZYZUMY-LBPRGKRZSA-N -1 3 368.427 0.756 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)Nc2nccn2CC(C)C)cn1C ZINC000171290486 488821827 /nfs/dbraw/zinc/82/18/27/488821827.db2.gz CCRSWNYCYSMGIM-UHFFFAOYSA-N -1 3 368.463 0.888 10 0 FCAEHM CC(=O)N(C)c1cccc(NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)c1 ZINC000268091715 488838975 /nfs/dbraw/zinc/83/89/75/488838975.db2.gz IWQVDYQIIOEJDV-UHFFFAOYSA-N -1 3 365.415 0.320 10 0 FCAEHM COc1cc(C)c(NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)cc1OC ZINC000268102028 488839917 /nfs/dbraw/zinc/83/99/17/488839917.db2.gz KZPXNSSLCIRNJK-UHFFFAOYSA-N -1 3 368.415 0.663 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000176134876 488857542 /nfs/dbraw/zinc/85/75/42/488857542.db2.gz KZCOLMGVCPHROC-VHSXEESVSA-N -1 3 355.445 0.658 10 0 FCAEHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000288582833 488994352 /nfs/dbraw/zinc/99/43/52/488994352.db2.gz YJKMAKFMOMNWTF-MRXNPFEDSA-N -1 3 365.411 0.520 10 0 FCAEHM O=C(CS(=O)(=O)c1nc(C2CC2)n[n-]1)N1CCO[C@H]2CCCC[C@H]21 ZINC000329382644 488999570 /nfs/dbraw/zinc/99/95/70/488999570.db2.gz OMDHEJXUSKMVDX-NEPJUHHUSA-N -1 3 354.432 0.626 10 0 FCAEHM O=C(CS(=O)(=O)c1nnc(C2CC2)[n-]1)N1CCO[C@H]2CCCC[C@H]21 ZINC000329382644 488999574 /nfs/dbraw/zinc/99/95/74/488999574.db2.gz OMDHEJXUSKMVDX-NEPJUHHUSA-N -1 3 354.432 0.626 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC[C@@H](CO)[C@@H]1CCOC1 ZINC000280478437 489011686 /nfs/dbraw/zinc/01/16/86/489011686.db2.gz NQCMBOISDVBZAO-XQQFMLRXSA-N -1 3 374.434 0.254 10 0 FCAEHM CCOC(=O)c1csc([C@H]2CCCN2C(=O)C[C@@H]2NC(=O)[N-]C2=O)n1 ZINC000365135177 489041931 /nfs/dbraw/zinc/04/19/31/489041931.db2.gz KEWCZIOYTVCGQO-WCBMZHEXSA-N -1 3 366.399 0.581 10 0 FCAEHM O=S(=O)([N-]C[C@@]1(CCO)CCOC1)c1ccc(Br)cn1 ZINC000330493687 489108835 /nfs/dbraw/zinc/10/88/35/489108835.db2.gz RHIVAOSGFNICRX-GFCCVEGCSA-N -1 3 365.249 0.912 10 0 FCAEHM COc1cccc(CN(C)C(=O)CN2CCC[C@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000289373757 489062371 /nfs/dbraw/zinc/06/23/71/489062371.db2.gz IMQJPLLTMIGFCJ-AWEZNQCLSA-N -1 3 359.430 0.945 10 0 FCAEHM O=C(C1CCCC1)N1CSC[C@@H]1C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000330129370 489071357 /nfs/dbraw/zinc/07/13/57/489071357.db2.gz JYCAXKCTUNIWDG-NWDGAFQWSA-N -1 3 366.443 0.681 10 0 FCAEHM CC(=O)N1CCCC[C@H]1CCS(=O)(=O)[N-][C@@H]1CC(=O)N(C(C)C)C1=O ZINC000330182910 489077856 /nfs/dbraw/zinc/07/78/56/489077856.db2.gz HORPCGIKHIOZLL-UONOGXRCSA-N -1 3 373.475 0.233 10 0 FCAEHM Cc1cccc(OCCCNC(=O)CN2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000365530209 489084807 /nfs/dbraw/zinc/08/48/07/489084807.db2.gz UGQIPDZWRVCLSE-LJQANCHMSA-N -1 3 374.441 0.554 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]CCN1CCN(C)CC1 ZINC000289799205 489094075 /nfs/dbraw/zinc/09/40/75/489094075.db2.gz JDVDUIWLYYPMLX-UHFFFAOYSA-N -1 3 359.448 0.209 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)CCCO)c(OC)c1 ZINC000281808986 489108115 /nfs/dbraw/zinc/10/81/15/489108115.db2.gz CYNCOTKYWGICEN-UHFFFAOYSA-N -1 3 366.461 0.460 10 0 FCAEHM CCOc1ccccc1CN1CCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)[C@@H](C)C1 ZINC000282231813 489147226 /nfs/dbraw/zinc/14/72/26/489147226.db2.gz RDDABZQMJYOGLC-ZFWWWQNUSA-N -1 3 374.441 0.716 10 0 FCAEHM CCNC(=O)N1CC[C@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000366171553 489154451 /nfs/dbraw/zinc/15/44/51/489154451.db2.gz NFRPBFYVSVXUGB-ZFWWWQNUSA-N -1 3 374.441 0.917 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@@H]1CCc2nc(C)nn2C1 ZINC000290700194 489158828 /nfs/dbraw/zinc/15/88/28/489158828.db2.gz IORAQJIPBNMUEF-LLVKDONJSA-N -1 3 368.415 0.876 10 0 FCAEHM C[C@@H](Cn1cncn1)NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290866251 489170115 /nfs/dbraw/zinc/17/01/15/489170115.db2.gz RBGSNKKKSGSAJF-WDEREUQCSA-N -1 3 362.356 0.767 10 0 FCAEHM CCNC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)c3nonc32)C1 ZINC000292768350 489178608 /nfs/dbraw/zinc/17/86/08/489178608.db2.gz PWTOXQNFXZSLJU-MRVPVSSYSA-N -1 3 373.822 0.958 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@@H](CO)CC(C)C ZINC000282648325 489181213 /nfs/dbraw/zinc/18/12/13/489181213.db2.gz UNTSCFKJZTZRNZ-GFCCVEGCSA-N -1 3 364.489 0.622 10 0 FCAEHM C[C@@H](C[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)N1CCCCC1=O ZINC000331259752 489190581 /nfs/dbraw/zinc/19/05/81/489190581.db2.gz JFONHDLEIPKCHV-LBPRGKRZSA-N -1 3 374.484 0.769 10 0 FCAEHM COc1ccc2c(c1)[n-]cc(C(=O)NC[C@@]1(O)CCS(=O)(=O)C1)c2=O ZINC000295307579 489191544 /nfs/dbraw/zinc/19/15/44/489191544.db2.gz BWWWSWMCPMFCBK-INIZCTEOSA-N -1 3 366.395 0.228 10 0 FCAEHM COc1ccc2c(c1)[n-]cc(C(=O)NC[C@]1(O)CCS(=O)(=O)C1)c2=O ZINC000295307583 489191563 /nfs/dbraw/zinc/19/15/63/489191563.db2.gz BWWWSWMCPMFCBK-MRXNPFEDSA-N -1 3 366.395 0.228 10 0 FCAEHM C[C@]1([N-]S(=O)(=O)c2cnccc2C(F)(F)F)CCS(=O)(=O)C1 ZINC000331269664 489191751 /nfs/dbraw/zinc/19/17/51/489191751.db2.gz KARDOFIGXCZHTJ-JTQLQIEISA-N -1 3 358.363 0.956 10 0 FCAEHM C[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F)C(=O)NCCF ZINC000282914926 489198849 /nfs/dbraw/zinc/19/88/49/489198849.db2.gz YBJMADKZGBUSHA-ZJUUUORDSA-N -1 3 363.386 0.083 10 0 FCAEHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCOC[C@@H]1O ZINC000625596735 492831907 /nfs/dbraw/zinc/83/19/07/492831907.db2.gz LUEFPPQVPLRPBD-UWVGGRQHSA-N -1 3 366.233 0.886 10 0 FCAEHM CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000563397915 491242296 /nfs/dbraw/zinc/24/22/96/491242296.db2.gz MQYDBHQMGHGHEB-LLVKDONJSA-N -1 3 354.432 0.556 10 0 FCAEHM CO[C@@H]1CS(=O)(=O)C[C@@H]1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000657101417 492721236 /nfs/dbraw/zinc/72/12/36/492721236.db2.gz SFMMDEUNYYOLHK-DTWKUNHWSA-N -1 3 374.362 0.191 10 0 FCAEHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)C[C@H]1CCOC[C@H]1OC ZINC000297952977 489267986 /nfs/dbraw/zinc/26/79/86/489267986.db2.gz GEUIWZMVMHUVFH-MWLCHTKSSA-N -1 3 354.359 0.968 10 0 FCAEHM O=S(=O)(CCCCS(=O)(=O)N1CCCO1)[N-]c1cncc(F)c1 ZINC000348441798 489270692 /nfs/dbraw/zinc/27/06/92/489270692.db2.gz CFOGRTDBEPFSLS-UHFFFAOYSA-N -1 3 367.424 0.710 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CCN2C(=O)OC[C@@H]2C1 ZINC000369767600 489272853 /nfs/dbraw/zinc/27/28/53/489272853.db2.gz TZYSMGZUKPAXMI-GXTWGEPZSA-N -1 3 359.382 0.660 10 0 FCAEHM O=C(CNC(=O)c1cccc([O-])c1)NC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000283548053 489273766 /nfs/dbraw/zinc/27/37/66/489273766.db2.gz HOIGNQCREOIHLY-RHSMWYFYSA-N -1 3 362.426 0.806 10 0 FCAEHM O=C(NC[C@H]1CCC2(CCOCC2)[C@@H]1O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000283595806 489279779 /nfs/dbraw/zinc/27/97/79/489279779.db2.gz KSISBRXBZYIRJU-IUODEOHRSA-N -1 3 358.394 0.868 10 0 FCAEHM O=C1N[C@H](CF)C(=O)N1CC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000348952271 489280489 /nfs/dbraw/zinc/28/04/89/489280489.db2.gz DYCVDWACRHYSKG-SECBINFHSA-N -1 3 367.761 0.647 10 0 FCAEHM COC[C@@](C)(O)CC[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000563434770 491245576 /nfs/dbraw/zinc/24/55/76/491245576.db2.gz RADNIQPNOKJWJJ-ZDUSSCGKSA-N -1 3 350.462 0.450 10 0 FCAEHM O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000283724270 489296496 /nfs/dbraw/zinc/29/64/96/489296496.db2.gz NNWJLLVBXXBPPW-LBPRGKRZSA-N -1 3 370.413 0.997 10 0 FCAEHM O=C(N[C@@H]1CCCN(c2cccnc2)C1=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000369955776 489297239 /nfs/dbraw/zinc/29/72/39/489297239.db2.gz VWPCIZHGAWCXQK-OAHLLOKOSA-N -1 3 364.361 0.891 10 0 FCAEHM CC[C@@H]1CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1cnc(C)nc1 ZINC000349485497 489297788 /nfs/dbraw/zinc/29/77/88/489297788.db2.gz UHFDABJNPOPUMK-CYBMUJFWSA-N -1 3 362.477 0.731 10 0 FCAEHM CC1(C2(NS(=O)(=O)CCCS(=O)(=O)[N-]c3cn[nH]c3)CC2)CC1 ZINC000349534709 489310128 /nfs/dbraw/zinc/31/01/28/489310128.db2.gz ITSJFYRWZJSCFC-UHFFFAOYSA-N -1 3 362.477 0.794 10 0 FCAEHM Cc1ncc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2C[C@H]2C2CC2)cn1 ZINC000349537011 489310707 /nfs/dbraw/zinc/31/07/07/489310707.db2.gz CSCAZUPWOCMBHS-UONOGXRCSA-N -1 3 374.488 0.635 10 0 FCAEHM COc1nn(C)cc1NC(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2C ZINC000555348287 491247625 /nfs/dbraw/zinc/24/76/25/491247625.db2.gz XSCNWBMFNBJGKE-UHFFFAOYSA-N -1 3 370.369 0.906 10 0 FCAEHM NC(=O)c1ccsc1NC(=O)CCN1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000298401092 489323034 /nfs/dbraw/zinc/32/30/34/489323034.db2.gz FDYVFVPQIVNNAP-SECBINFHSA-N -1 3 364.431 0.467 10 0 FCAEHM C[C@H]1CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2ccnnc2)[C@H]1C ZINC000349606568 489327121 /nfs/dbraw/zinc/32/71/21/489327121.db2.gz JTQZGGSMXDJOBK-RYUDHWBXSA-N -1 3 362.477 0.669 10 0 FCAEHM C[C@H](CN1CCOCC1)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000298495987 489331801 /nfs/dbraw/zinc/33/18/01/489331801.db2.gz LIVBRWOUEQNABL-OLZOCXBDSA-N -1 3 373.450 0.329 10 0 FCAEHM CN(C[C@H](O)c1cccc(Br)c1)C(=O)CN1CC(=O)[N-]C1=O ZINC000298514753 489333810 /nfs/dbraw/zinc/33/38/10/489333810.db2.gz WEHDKDQBDKJUCR-NSHDSACASA-N -1 3 370.203 0.493 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCc2nc([C@@H]3CCOC[C@@H]3C)no2)cn1C ZINC000350605313 489343084 /nfs/dbraw/zinc/34/30/84/489343084.db2.gz ZWDJGCDEUPHVOB-CMPLNLGQSA-N -1 3 369.447 0.773 10 0 FCAEHM COCCC(=O)N1CCC(NC(=O)c2cc(=O)[n-]c(N(C)C)n2)CC1 ZINC000555282519 491244317 /nfs/dbraw/zinc/24/43/17/491244317.db2.gz ZWVAJEYEQUGYPR-UHFFFAOYSA-N -1 3 351.407 0.006 10 0 FCAEHM O=C(NCCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1ccn[nH]1 ZINC000370357457 489349011 /nfs/dbraw/zinc/34/90/11/489349011.db2.gz AMGDIPKMHFVBAO-AWEZNQCLSA-N -1 3 371.397 0.266 10 0 FCAEHM O=C(NCCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1ccn[nH]1 ZINC000370357458 489349261 /nfs/dbraw/zinc/34/92/61/489349261.db2.gz AMGDIPKMHFVBAO-CQSZACIVSA-N -1 3 371.397 0.266 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(-c2nc(COC[C@H]3CCOC3)no2)cn1 ZINC000351446808 489357017 /nfs/dbraw/zinc/35/70/17/489357017.db2.gz OSDJDZPSXDMKBH-JTQLQIEISA-N -1 3 354.388 0.593 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@@]3(CCCOC3)C2)c(C)o1 ZINC000286171848 489364306 /nfs/dbraw/zinc/36/43/06/489364306.db2.gz BVNYTJSCNNSNIN-HNNXBMFYSA-N -1 3 358.416 0.518 10 0 FCAEHM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C[C@@H]1C(=O)[O-] ZINC000570569341 491250345 /nfs/dbraw/zinc/25/03/45/491250345.db2.gz OGVKWQOQNIUEHV-KFWWJZLASA-N -1 3 351.447 0.642 10 0 FCAEHM C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000298816624 489369242 /nfs/dbraw/zinc/36/92/42/489369242.db2.gz AQQVMKDMFRMUAQ-MNOVXSKESA-N -1 3 353.423 0.965 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CC[C@@H](C(=O)OC)C2)s1 ZINC000298877638 489376970 /nfs/dbraw/zinc/37/69/70/489376970.db2.gz NDJOWRKTPILIKW-SECBINFHSA-N -1 3 361.445 0.361 10 0 FCAEHM O=C1[C@@H]([N-]S(=O)(=O)C[C@H]2CCC2(F)F)CCN1C1CCOCC1 ZINC000632062731 492921406 /nfs/dbraw/zinc/92/14/06/492921406.db2.gz IKJUHEZBQKUFTF-PWSUYJOCSA-N -1 3 352.403 0.731 10 0 FCAEHM NC(=O)[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)O1 ZINC000286477933 489395085 /nfs/dbraw/zinc/39/50/85/489395085.db2.gz AACZPPWHKWTGOZ-JGVFFNPUSA-N -1 3 353.322 0.412 10 0 FCAEHM C[C@H](CN1CCCC1=O)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000299044558 489399224 /nfs/dbraw/zinc/39/92/24/489399224.db2.gz YNIIWHRJQUFWEC-NEPJUHHUSA-N -1 3 371.434 0.620 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NCc1cc(F)c(F)cc1Br ZINC000286526769 489400462 /nfs/dbraw/zinc/40/04/62/489400462.db2.gz RZEUFZCLGQMWOM-UHFFFAOYSA-N -1 3 362.130 0.895 10 0 FCAEHM CCO[C@@H]1COCC[C@H]1[N-]S(=O)(=O)C[C@@H](OC)C1CCOCC1 ZINC000645651018 492954968 /nfs/dbraw/zinc/95/49/68/492954968.db2.gz SYKXBFUSEBLDET-RBSFLKMASA-N -1 3 351.465 0.541 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)Cc2ccc(-n3cnnn3)cc2)nc1=N ZINC000555541636 491253477 /nfs/dbraw/zinc/25/34/77/491253477.db2.gz QDCOZPKJGOFRPB-CYBMUJFWSA-N -1 3 353.390 0.110 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCNC(=O)CC2)cc1OC ZINC000299330130 489432486 /nfs/dbraw/zinc/43/24/86/489432486.db2.gz JUOLKCLPYOSSER-UHFFFAOYSA-N -1 3 370.431 0.811 10 0 FCAEHM O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000363453117 489469112 /nfs/dbraw/zinc/46/91/12/489469112.db2.gz RDUAHUAXYKAYEN-INMHGKMJSA-N -1 3 373.453 0.976 10 0 FCAEHM O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000363453119 489469189 /nfs/dbraw/zinc/46/91/89/489469189.db2.gz RDUAHUAXYKAYEN-ZMSDIMECSA-N -1 3 373.453 0.976 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)N[C@@H]1CCc2[nH]cnc2C1 ZINC000371309351 489476136 /nfs/dbraw/zinc/47/61/36/489476136.db2.gz XCTDLOHERPCLAS-LLVKDONJSA-N -1 3 366.418 0.891 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)N[C@@H]1CCc2nc[nH]c2C1 ZINC000371309351 489476137 /nfs/dbraw/zinc/47/61/37/489476137.db2.gz XCTDLOHERPCLAS-LLVKDONJSA-N -1 3 366.418 0.891 10 0 FCAEHM CN1CCO[C@H](CS(=O)(=O)[N-]C[C@@H](n2cccn2)C(F)(F)F)C1 ZINC000632589726 493038091 /nfs/dbraw/zinc/03/80/91/493038091.db2.gz WLZFLXVTMWVZLJ-WDEREUQCSA-N -1 3 356.370 0.237 10 0 FCAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@H]1CCC(=O)N(C)C1 ZINC000451213684 489493212 /nfs/dbraw/zinc/49/32/12/489493212.db2.gz AVPFWMLRGKESIF-IUCAKERBSA-N -1 3 360.354 0.411 10 0 FCAEHM CCOc1ccncc1S(=O)(=O)[N-][C@H](CC)C(=O)N1CCOCC1 ZINC000451303275 489498195 /nfs/dbraw/zinc/49/81/95/489498195.db2.gz MHEJNWKEDLAQLA-GFCCVEGCSA-N -1 3 357.432 0.396 10 0 FCAEHM Cc1cn2c(n1)CN(C(=O)c1ccc([C@@]3(C)NC(=O)[N-]C3=O)cc1)CC2 ZINC000371726693 489502304 /nfs/dbraw/zinc/50/23/04/489502304.db2.gz IFKTZFGUCUDBKY-GOSISDBHSA-N -1 3 353.382 0.902 10 0 FCAEHM CCOC(=O)CCS(=O)(=O)[N-][C@H]1CCCN(c2cccnc2)C1=O ZINC000371747471 489505761 /nfs/dbraw/zinc/50/57/61/489505761.db2.gz QYIFSNHHXKZWTH-ZDUSSCGKSA-N -1 3 355.416 0.450 10 0 FCAEHM Cc1cc(S(=O)(=O)[N-]CCOCCS(N)(=O)=O)c(Cl)cc1F ZINC000451532907 489508393 /nfs/dbraw/zinc/50/83/93/489508393.db2.gz UYQASVWPGJXQGW-UHFFFAOYSA-N -1 3 374.843 0.371 10 0 FCAEHM COC(=O)c1ncccc1S(=O)(=O)[N-]Cc1c2c(nn1C)CCCC2 ZINC000451561003 489510018 /nfs/dbraw/zinc/51/00/18/489510018.db2.gz CIPVADFJZONZAG-UHFFFAOYSA-N -1 3 364.427 0.959 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N1CCN2CCOC[C@H]2C1 ZINC000371868550 489520242 /nfs/dbraw/zinc/52/02/42/489520242.db2.gz BAPLQGATXKZPNM-CYBMUJFWSA-N -1 3 358.398 0.035 10 0 FCAEHM COC(=O)c1ncccc1S(=O)(=O)[N-][C@H]1CCCC[C@H]1C(=O)OC ZINC000451837627 489526366 /nfs/dbraw/zinc/52/63/66/489526366.db2.gz KERPLPXETNKBNU-MNOVXSKESA-N -1 3 356.400 0.878 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000372246517 489563458 /nfs/dbraw/zinc/56/34/58/489563458.db2.gz DWGUBSKPICYCDY-OCCSQVGLSA-N -1 3 355.398 0.873 10 0 FCAEHM C[C@]1(c2cccc(C(=O)N[C@H]3CCC[C@H](C(N)=O)C3)c2)NC(=O)[N-]C1=O ZINC000426404325 489565558 /nfs/dbraw/zinc/56/55/58/489565558.db2.gz ZEWRTOLSRQFLGD-OGJWQKAUSA-N -1 3 358.398 0.515 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)N2C[C@H](C)N(CCO)C[C@H]2C)c([O-])c1 ZINC000416305500 489581901 /nfs/dbraw/zinc/58/19/01/489581901.db2.gz IXADJFCAGBGXHV-LSDHHAIUSA-N -1 3 363.458 0.734 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C)N(CCO)C[C@@H]2C)c(C)o1 ZINC000416314634 489582811 /nfs/dbraw/zinc/58/28/11/489582811.db2.gz SZODDXPOJWEEDJ-QWRGUYRKSA-N -1 3 359.448 0.023 10 0 FCAEHM O=S(=O)([N-]C[C@H]1COc2ccccc2O1)c1cnn2c1OCCC2 ZINC000416369488 489585527 /nfs/dbraw/zinc/58/55/27/489585527.db2.gz JBRXWVGOPAOOPT-NSHDSACASA-N -1 3 351.384 0.784 10 0 FCAEHM COCCc1cc(NC(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)n(C)n1 ZINC000427218854 489598405 /nfs/dbraw/zinc/59/84/05/489598405.db2.gz NQDICASLGNSPHW-UHFFFAOYSA-N -1 3 358.358 0.209 10 0 FCAEHM COC(=O)c1cn(CC[N-]S(=O)(=O)c2cn3c(n2)CCC[C@@H]3C)nn1 ZINC000416480730 489599365 /nfs/dbraw/zinc/59/93/65/489599365.db2.gz SPAOGZHUOHEAEK-JTQLQIEISA-N -1 3 368.419 0.137 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-][C@@H](CO)c2ccnn2C)CCCCC1 ZINC000416549130 489608456 /nfs/dbraw/zinc/60/84/56/489608456.db2.gz OFRSCYLZEGLICN-LBPRGKRZSA-N -1 3 359.448 0.496 10 0 FCAEHM O=S(=O)([N-]C[C@@H](O)Cn1ccnn1)c1cc(C(F)(F)F)ccc1F ZINC000416567559 489610858 /nfs/dbraw/zinc/61/08/58/489610858.db2.gz WGCFWHJBONLBFK-SECBINFHSA-N -1 3 368.312 0.775 10 0 FCAEHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]C2(C(=O)N(C)C)CC2)s1 ZINC000416585446 489614425 /nfs/dbraw/zinc/61/44/25/489614425.db2.gz JRRBFZNYDRDRSA-UHFFFAOYSA-N -1 3 362.429 0.442 10 0 FCAEHM CCS(=O)(=O)C1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000456314231 489614404 /nfs/dbraw/zinc/61/44/04/489614404.db2.gz LKAMMAMGUUBBOM-AWEZNQCLSA-N -1 3 366.439 0.642 10 0 FCAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C1(C(=O)N(C)C)CC1 ZINC000416593677 489615526 /nfs/dbraw/zinc/61/55/26/489615526.db2.gz PPFCTGNOQLUKSG-MRVPVSSYSA-N -1 3 360.354 0.411 10 0 FCAEHM C[C@H](Cc1cnn(C)c1)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000456475948 489618471 /nfs/dbraw/zinc/61/84/71/489618471.db2.gz GYRZIIHEPBTIFD-NEPJUHHUSA-N -1 3 368.434 0.973 10 0 FCAEHM Cc1ccnc2nc(C(=O)Nc3cc4c(cc3[O-])n(C)c(=O)n4C)nn21 ZINC000427871575 489625031 /nfs/dbraw/zinc/62/50/31/489625031.db2.gz KXAVTYLUNXUBHM-UHFFFAOYSA-N -1 3 353.342 0.581 10 0 FCAEHM COC[C@@H]1CCCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)CC1 ZINC000457055654 489634062 /nfs/dbraw/zinc/63/40/62/489634062.db2.gz ZKVIMHWSSQANBH-SNVBAGLBSA-N -1 3 374.235 0.987 10 0 FCAEHM COC(=O)C(C)(C)N1CCN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)CC1 ZINC000428040984 489634413 /nfs/dbraw/zinc/63/44/13/489634413.db2.gz YUGHHTRYRBAEPD-UHFFFAOYSA-N -1 3 359.382 0.280 10 0 FCAEHM C[C@H]1CN(CCO)CCN1C(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000457104725 489635709 /nfs/dbraw/zinc/63/57/09/489635709.db2.gz DFMSJVVASPRFHY-ZDUSSCGKSA-N -1 3 360.414 0.017 10 0 FCAEHM C[C@@H]1CN(CCO)CCN1C(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000457104723 489636064 /nfs/dbraw/zinc/63/60/64/489636064.db2.gz DFMSJVVASPRFHY-CYBMUJFWSA-N -1 3 360.414 0.017 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccc(F)c(F)c1)NC[C@H]1CCC[C@@H]1O ZINC000457342957 489644628 /nfs/dbraw/zinc/64/46/28/489644628.db2.gz SCOZGQZNEYEJGR-YGRLFVJLSA-N -1 3 362.398 0.910 10 0 FCAEHM COCCN(C(=O)CC[N-]S(=O)(=O)c1ccccc1F)[C@@H]1CCOC1 ZINC000428563689 489653705 /nfs/dbraw/zinc/65/37/05/489653705.db2.gz VYWJWATYVPHLDR-CYBMUJFWSA-N -1 3 374.434 0.758 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCc1cc(C(N)=O)co1 ZINC000428687487 489660702 /nfs/dbraw/zinc/66/07/02/489660702.db2.gz WIIZPGRMAZKQEF-VIFPVBQESA-N -1 3 369.374 0.501 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@H]2CCCC(F)(F)C2)cn1C ZINC000489008012 489690450 /nfs/dbraw/zinc/69/04/50/489690450.db2.gz HBHKJUPYVLLPTO-JTQLQIEISA-N -1 3 350.391 0.701 10 0 FCAEHM CCNC(=O)C1CN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000489657242 489723268 /nfs/dbraw/zinc/72/32/68/489723268.db2.gz HRZQCPZXOIPORJ-JTQLQIEISA-N -1 3 357.407 0.087 10 0 FCAEHM Cc1nc2nc(N)nn2c(C)c1CC(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000473857850 489741922 /nfs/dbraw/zinc/74/19/22/489741922.db2.gz PDFDEZYDQQZSRC-LBPRGKRZSA-N -1 3 356.390 0.501 10 0 FCAEHM Cc1nc2nc(N)nn2c(C)c1CC(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473857843 489741962 /nfs/dbraw/zinc/74/19/62/489741962.db2.gz PDFDEZYDQQZSRC-GFCCVEGCSA-N -1 3 356.390 0.501 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2nnc(C3CCC3)n2C)cn1 ZINC000474208622 489747472 /nfs/dbraw/zinc/74/74/72/489747472.db2.gz OWZMXENXSHHYNY-UHFFFAOYSA-N -1 3 364.431 0.316 10 0 FCAEHM C[C@@H]1CN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)[C@H](C)[C@H](C)O1 ZINC000474333092 489755692 /nfs/dbraw/zinc/75/56/92/489755692.db2.gz RCMSRJIFEXAVLB-HLTSFMKQSA-N -1 3 360.208 0.736 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1cccn(Cc2ccc(F)cc2)c1=O ZINC000490435667 489766695 /nfs/dbraw/zinc/76/66/95/489766695.db2.gz SEYCBTYZZLBONG-ZDUSSCGKSA-N -1 3 358.329 0.572 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C)C(=O)Cc2ccccc2)cn1 ZINC000474524679 489767050 /nfs/dbraw/zinc/76/70/50/489767050.db2.gz QMKFEEFLNYLUCG-GFCCVEGCSA-N -1 3 361.423 0.920 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@](C)(COC)C(F)(F)F)cn1 ZINC000474538784 489767578 /nfs/dbraw/zinc/76/75/78/489767578.db2.gz ILEZXIDLCZYLLS-NSHDSACASA-N -1 3 355.338 0.687 10 0 FCAEHM COc1cc(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)cc(OC)c1[O-] ZINC000491231799 489798256 /nfs/dbraw/zinc/79/82/56/489798256.db2.gz HZXYRNPUOBDQHM-CYBMUJFWSA-N -1 3 364.398 0.919 10 0 FCAEHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000491531524 489806944 /nfs/dbraw/zinc/80/69/44/489806944.db2.gz NBORHFCPAXRPAE-TXEJJXNPSA-N -1 3 360.457 0.537 10 0 FCAEHM CCNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C(C)(C)O ZINC000493675481 489854480 /nfs/dbraw/zinc/85/44/80/489854480.db2.gz HCXIGHVZCPUNLT-UHFFFAOYSA-N -1 3 364.489 0.813 10 0 FCAEHM C[C@@H]1COCC[C@H]1NC(=O)NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000433330093 489876716 /nfs/dbraw/zinc/87/67/16/489876716.db2.gz VZMRCQWELUJCMM-YRILPIOLSA-N -1 3 360.414 0.965 10 0 FCAEHM CCc1ccc([O-])c(C(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)c1 ZINC000461322375 489902799 /nfs/dbraw/zinc/90/27/99/489902799.db2.gz MGFQKECJSVBTNT-UHFFFAOYSA-N -1 3 355.460 0.909 10 0 FCAEHM CN1CCN(CCCNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000377454587 489907033 /nfs/dbraw/zinc/90/70/33/489907033.db2.gz RFUAFZQEUBLDJD-KRWDZBQOSA-N -1 3 374.485 0.751 10 0 FCAEHM Cc1nn(C)c(C)c1[C@@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1N)C(F)(F)F ZINC000434015591 489909866 /nfs/dbraw/zinc/90/98/66/489909866.db2.gz CLXWMHDRHZUQDX-SECBINFHSA-N -1 3 360.296 0.854 10 0 FCAEHM C[C@]1(c2cccc(C(=O)NCc3nnc4ccccn43)c2)NC(=O)[N-]C1=O ZINC000494832671 489915344 /nfs/dbraw/zinc/91/53/44/489915344.db2.gz KPHQQBMWCZITMN-GOSISDBHSA-N -1 3 364.365 0.714 10 0 FCAEHM NS(=O)(=O)c1ccc(CNC(=O)CNC(=O)c2cccc([O-])c2)cc1 ZINC000494934518 489920310 /nfs/dbraw/zinc/92/03/10/489920310.db2.gz XGADQTUBRHAILC-UHFFFAOYSA-N -1 3 363.395 0.086 10 0 FCAEHM CN(CC(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)[C@H]1CCSC1 ZINC000461618823 489922126 /nfs/dbraw/zinc/92/21/26/489922126.db2.gz LINXAYFFVMDDPU-JTQLQIEISA-N -1 3 350.444 0.958 10 0 FCAEHM C[C@H](NC(=O)c1ccoc1)C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000461621188 489922584 /nfs/dbraw/zinc/92/25/84/489922584.db2.gz ZQKTYEJXLAUNJE-VIFPVBQESA-N -1 3 358.354 0.933 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)c3ccccc3-n3cnnn3)cc2n(C)c1=O ZINC000461621566 489922693 /nfs/dbraw/zinc/92/26/93/489922693.db2.gz VRRRMQNENRGJSK-UHFFFAOYSA-N -1 3 365.353 0.811 10 0 FCAEHM CN1CCN(c2cc(C(=O)N3CCc4nc[n-]c(=O)c4C3)ccn2)CC1 ZINC000476974495 489928157 /nfs/dbraw/zinc/92/81/57/489928157.db2.gz XZRLJAQFGSABAN-UHFFFAOYSA-N -1 3 354.414 0.528 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CC(c3ccccc3F)C2)c1 ZINC000571154010 491288965 /nfs/dbraw/zinc/28/89/65/491288965.db2.gz GBXGFFGAZUUNLV-UHFFFAOYSA-N -1 3 352.391 0.464 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)Nc1nc2cccnc2n1CC ZINC000477289058 489955786 /nfs/dbraw/zinc/95/57/86/489955786.db2.gz KLCZYNLQOUYSPN-UHFFFAOYSA-N -1 3 355.420 0.346 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N2CCC23CCC3)s1 ZINC000477405322 489962652 /nfs/dbraw/zinc/96/26/52/489962652.db2.gz NRXIYBPIJUBNGE-UHFFFAOYSA-N -1 3 371.484 0.818 10 0 FCAEHM COCCOC[C@H](C)[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000462414300 489974699 /nfs/dbraw/zinc/97/46/99/489974699.db2.gz LGTSNAZBYSPCMX-NSHDSACASA-N -1 3 351.446 0.420 10 0 FCAEHM Cc1nc(C[N-]S(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)no1 ZINC000462488547 489978170 /nfs/dbraw/zinc/97/81/70/489978170.db2.gz WLCPGHFFEFDWSX-UHFFFAOYSA-N -1 3 372.428 0.396 10 0 FCAEHM Cn1ncc2c1nc(NCc1ccc([C@]3(C)NC(=O)[N-]C3=O)cc1)nc2N ZINC000436386213 490006882 /nfs/dbraw/zinc/00/68/82/490006882.db2.gz JFEYJJQVGOQJME-KRWDZBQOSA-N -1 3 366.385 0.612 10 0 FCAEHM COC[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])C(=O)OC ZINC000436631963 490009535 /nfs/dbraw/zinc/00/95/35/490009535.db2.gz VFCSXULJVINAQD-QWHCGFSZSA-N -1 3 350.371 0.301 10 0 FCAEHM NC(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000436624598 490009649 /nfs/dbraw/zinc/00/96/49/490009649.db2.gz LXLMPKRASBHAEU-ZFWWWQNUSA-N -1 3 374.441 0.904 10 0 FCAEHM O=C(NC[C@H](O)COCC1CC1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436632708 490010127 /nfs/dbraw/zinc/01/01/27/490010127.db2.gz ZWOBBDAFAXFQDI-HOCLYGCPSA-N -1 3 362.426 0.901 10 0 FCAEHM CN(C)C(=O)NCCN(C)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436822133 490013753 /nfs/dbraw/zinc/01/37/53/490013753.db2.gz RWINSNFDAYTMCP-CQSZACIVSA-N -1 3 362.430 0.726 10 0 FCAEHM NC(=O)[C@H]1CCC[C@@H](NC(=O)NCC[N-]S(=O)(=O)c2cccs2)C1 ZINC000437448832 490023465 /nfs/dbraw/zinc/02/34/65/490023465.db2.gz HFPYVWDRCMULGX-WDEREUQCSA-N -1 3 374.488 0.370 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)C(=O)NCCCc2ccccc2)nc1=N ZINC000571245112 491295230 /nfs/dbraw/zinc/29/52/30/491295230.db2.gz NEHMXQUDSBAQLD-CQSZACIVSA-N -1 3 356.430 0.640 10 0 FCAEHM CCn1nccc1CN(CCO)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000478912613 490052729 /nfs/dbraw/zinc/05/27/29/490052729.db2.gz UWQZXXYCIPHFMZ-UHFFFAOYSA-N -1 3 357.370 0.813 10 0 FCAEHM C[C@H](CO[C@H]1CCOC1)[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000441540236 490054888 /nfs/dbraw/zinc/05/48/88/490054888.db2.gz KHDAZPBHTNLQMH-NEPJUHHUSA-N -1 3 363.457 0.562 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000421268147 490065580 /nfs/dbraw/zinc/06/55/80/490065580.db2.gz XMVPIZSBYXFYOD-NSHDSACASA-N -1 3 367.427 0.909 10 0 FCAEHM COc1ccccc1-c1noc([C@@H](C)NC(=O)CN2CC(=O)[N-]C2=O)n1 ZINC000464915572 490073083 /nfs/dbraw/zinc/07/30/83/490073083.db2.gz XFYWGHSAHRWBSJ-SECBINFHSA-N -1 3 359.342 0.474 10 0 FCAEHM CCO[C@H]1C[C@]([N-]S(=O)(=O)c2cn(CC)cn2)(C(=O)OC)C1(C)C ZINC000444281080 490080986 /nfs/dbraw/zinc/08/09/86/490080986.db2.gz ZPNOIUMOWPKRCS-NHYWBVRUSA-N -1 3 359.448 0.928 10 0 FCAEHM COCCCOC1CN(C(=O)CCn2[n-]c(=O)c3ccccc3c2=O)C1 ZINC000479379655 490086069 /nfs/dbraw/zinc/08/60/69/490086069.db2.gz RFDRQGWTWIDJCY-UHFFFAOYSA-N -1 3 361.398 0.756 10 0 FCAEHM COC(=O)[C@H](C)CS(=O)(=O)[N-][C@H]1CCCN(c2cccnc2)C1=O ZINC000378652569 490124295 /nfs/dbraw/zinc/12/42/95/490124295.db2.gz VHVDGSDWALITFB-YPMHNXCESA-N -1 3 355.416 0.306 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1C(N)=O ZINC000465494074 490125059 /nfs/dbraw/zinc/12/50/59/490125059.db2.gz OKNKXLIBPJLEBO-QWRGUYRKSA-N -1 3 360.457 0.413 10 0 FCAEHM Cc1noc(C2CCC(NC(=O)N3CCN4C(=O)[N-]C(=O)[C@@H]4C3)CC2)n1 ZINC000545434403 490134738 /nfs/dbraw/zinc/13/47/38/490134738.db2.gz HPOHHHIAFUBLOV-MCIGGMRASA-N -1 3 362.390 0.350 10 0 FCAEHM CCOCCS(=O)(=O)[N-]Cc1nc(-c2ccc(CC(N)=O)cc2)no1 ZINC000545768157 490154074 /nfs/dbraw/zinc/15/40/74/490154074.db2.gz GJKKARQXNNOQPO-UHFFFAOYSA-N -1 3 368.415 0.220 10 0 FCAEHM O=C(NCc1ncc(-c2ccccc2)cn1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000545904509 490165355 /nfs/dbraw/zinc/16/53/55/490165355.db2.gz VOANJIATMHDRQL-AWEZNQCLSA-N -1 3 366.381 0.589 10 0 FCAEHM CN1CCO[C@@H]2CCN(C(=O)c3ccc([N-]S(C)(=O)=O)cc3)C[C@H]21 ZINC000408021472 490211153 /nfs/dbraw/zinc/21/11/53/490211153.db2.gz IDWAGXAROCVGTG-HUUCEWRRSA-N -1 3 353.444 0.603 10 0 FCAEHM CN(C)Cc1cc(CNC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)ccc1F ZINC000564459969 491308500 /nfs/dbraw/zinc/30/85/00/491308500.db2.gz ZRSYJCFVBKWSPX-AWEZNQCLSA-N -1 3 363.393 0.333 10 0 FCAEHM CO[C@@H]1CN(C(=O)CC[N-]S(=O)(=O)c2cn(C)c(C)n2)CC[C@@H]1C ZINC000467049762 490243666 /nfs/dbraw/zinc/24/36/66/490243666.db2.gz WWZRBWQQDPEFCG-WCQYABFASA-N -1 3 358.464 0.280 10 0 FCAEHM C[C@@H]1CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)C[C@H]1O ZINC000408091989 490246062 /nfs/dbraw/zinc/24/60/62/490246062.db2.gz WNGJGHPOUDGYSX-NOZJJQNGSA-N -1 3 366.436 0.589 10 0 FCAEHM C[C@H](NC(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1)c1ccc(-n2ccnn2)cc1 ZINC000546848161 490250671 /nfs/dbraw/zinc/25/06/71/490250671.db2.gz MFQAXRWDIATSCL-SMDDNHRTSA-N -1 3 369.385 0.274 10 0 FCAEHM COc1ccccc1N1CC[C@@H](NC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)C1 ZINC000546847994 490251096 /nfs/dbraw/zinc/25/10/96/490251096.db2.gz MXPULBDNBAULAI-TZMCWYRMSA-N -1 3 373.413 0.220 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)NCC[C@@H](C)[S@@](C)=O)s1 ZINC000482939721 490265115 /nfs/dbraw/zinc/26/51/15/490265115.db2.gz AWBOJAGECUQNBR-AOUSDQRYSA-N -1 3 367.518 0.613 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCCCC[C@H]2C(N)=O)c(C)o1 ZINC000467207246 490268057 /nfs/dbraw/zinc/26/80/57/490268057.db2.gz OAEPWIDNBPTETC-PWSUYJOCSA-N -1 3 357.432 0.660 10 0 FCAEHM C[C@H]1CN(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)CCS1(=O)=O ZINC000547325010 490278123 /nfs/dbraw/zinc/27/81/23/490278123.db2.gz YEHBYYGXVXWRBP-VIFPVBQESA-N -1 3 364.420 0.456 10 0 FCAEHM CNS(=O)(=O)c1ccc(CNC(=O)c2cc(=O)[n-]c(N(C)C)n2)s1 ZINC000547328042 490279032 /nfs/dbraw/zinc/27/90/32/490279032.db2.gz SECOGELQXRJZLA-UHFFFAOYSA-N -1 3 371.444 0.148 10 0 FCAEHM Cn1cc(C(=O)NCc2ccc(Cn3ccccc3=O)cc2)c(=O)[n-]c1=O ZINC000507969722 490284507 /nfs/dbraw/zinc/28/45/07/490284507.db2.gz XDGBYOAEZSTDAS-UHFFFAOYSA-N -1 3 366.377 0.626 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCc1ccc(OCc2ccccn2)cc1 ZINC000483130288 490284839 /nfs/dbraw/zinc/28/48/39/490284839.db2.gz OLKHIJKVAAIZPT-HNNXBMFYSA-N -1 3 354.366 0.875 10 0 FCAEHM COc1cc(NC(=O)CC[N-]S(=O)(=O)c2ccc(F)c(F)c2)nn1C ZINC000547495101 490305913 /nfs/dbraw/zinc/30/59/13/490305913.db2.gz NLSQNQRBMJRREK-UHFFFAOYSA-N -1 3 374.369 1.014 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CC(C)(C)OC[C@@H]1C ZINC000408363896 490315794 /nfs/dbraw/zinc/31/57/94/490315794.db2.gz CBIIXTCKFNDLBQ-ONGXEEELSA-N -1 3 359.448 0.984 10 0 FCAEHM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NC[C@@H]3CCCN3C)cc2)[n-]1 ZINC000498637240 490320633 /nfs/dbraw/zinc/32/06/33/490320633.db2.gz FYHBJCSULJWBFR-INIZCTEOSA-N -1 3 372.425 0.705 10 0 FCAEHM C[C@@H]1CCCCN1S(=O)(=O)[N-][C@H]1CCCN(c2ccnn2C)C1=O ZINC000408387783 490322473 /nfs/dbraw/zinc/32/24/73/490322473.db2.gz YFJRAOAMFHOPFE-OLZOCXBDSA-N -1 3 355.464 0.624 10 0 FCAEHM C[C@H]1CCCCN1S(=O)(=O)[N-][C@@H]1CCCN(c2ccnn2C)C1=O ZINC000408387784 490323338 /nfs/dbraw/zinc/32/33/38/490323338.db2.gz YFJRAOAMFHOPFE-QWHCGFSZSA-N -1 3 355.464 0.624 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)NC[C@H](O)C(F)(F)F ZINC000467646711 490326522 /nfs/dbraw/zinc/32/65/22/490326522.db2.gz MNOPYQVQQPARKI-YFKPBYRVSA-N -1 3 366.770 0.719 10 0 FCAEHM CC(=O)N1CSC[C@H]1C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000408410318 490330025 /nfs/dbraw/zinc/33/00/25/490330025.db2.gz NUXXVLWTYCWZDK-AWEZNQCLSA-N -1 3 363.439 0.598 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)NC[C@@H]3CCC(C)(C)O3)cnc21 ZINC000547641893 490333397 /nfs/dbraw/zinc/33/33/97/490333397.db2.gz LIOULJNHUBISAM-VIFPVBQESA-N -1 3 368.415 0.270 10 0 FCAEHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)n[nH]1 ZINC000534243143 490335438 /nfs/dbraw/zinc/33/54/38/490335438.db2.gz SGZYMSLURHLUJB-SECBINFHSA-N -1 3 358.445 0.810 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N[C@@H]2CC2(C)C)s1 ZINC000467957186 490351809 /nfs/dbraw/zinc/35/18/09/490351809.db2.gz HZTHSJBNDXARET-LLVKDONJSA-N -1 3 359.473 0.577 10 0 FCAEHM O=C(CCc1cc2ccccc2[nH]c1=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000534336121 490353134 /nfs/dbraw/zinc/35/31/34/490353134.db2.gz CFZYVOHUMOKSLZ-AWEZNQCLSA-N -1 3 354.366 0.636 10 0 FCAEHM Cc1ccn(C[C@](C)(O)C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c(=O)c1 ZINC000468326906 490387620 /nfs/dbraw/zinc/38/76/20/490387620.db2.gz PAKBYBJTRDIRGH-SFHVURJKSA-N -1 3 368.397 0.650 10 0 FCAEHM Cc1ccn(C[C@](C)(O)C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c(=O)c1 ZINC000468326906 490387626 /nfs/dbraw/zinc/38/76/26/490387626.db2.gz PAKBYBJTRDIRGH-SFHVURJKSA-N -1 3 368.397 0.650 10 0 FCAEHM O=C(Nc1[n-]nnc1C(=O)NC1CC1)c1cn(Cc2cccc(F)c2)nn1 ZINC000411103146 490389838 /nfs/dbraw/zinc/38/98/38/490389838.db2.gz FYUVLPUDJVOSOS-UHFFFAOYSA-N -1 3 370.348 0.728 10 0 FCAEHM O=C(Nc1nn[n-]c1C(=O)NC1CC1)c1cn(Cc2cccc(F)c2)nn1 ZINC000411103146 490389845 /nfs/dbraw/zinc/38/98/45/490389845.db2.gz FYUVLPUDJVOSOS-UHFFFAOYSA-N -1 3 370.348 0.728 10 0 FCAEHM O=C(Nc1n[n-]nc1C(=O)NC1CC1)c1cn(Cc2cccc(F)c2)nn1 ZINC000411103146 490389852 /nfs/dbraw/zinc/38/98/52/490389852.db2.gz FYUVLPUDJVOSOS-UHFFFAOYSA-N -1 3 370.348 0.728 10 0 FCAEHM COc1cc(F)c(S(=O)(=O)[N-]C[C@@]2(CCO)CCOC2)cc1OC ZINC000534742868 490405637 /nfs/dbraw/zinc/40/56/37/490405637.db2.gz JQYRQUSJJYOXFA-OAHLLOKOSA-N -1 3 363.407 0.910 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ccc(NC(=O)CN3CC(=O)[N-]C3=O)cc2)C[C@H](C)O1 ZINC000522936407 490421540 /nfs/dbraw/zinc/42/15/40/490421540.db2.gz AQAYFMSXPBEQAI-TXEJJXNPSA-N -1 3 374.397 0.426 10 0 FCAEHM CCCc1nc(=NC(=O)C(=O)N2CCC[C@H]3CN(C)CC[C@H]32)s[n-]1 ZINC000411417786 490454704 /nfs/dbraw/zinc/45/47/04/490454704.db2.gz FDCIZANBUBZYDD-NWDGAFQWSA-N -1 3 351.476 0.794 10 0 FCAEHM CN1C[C@H](NC(=O)CC[N-]S(=O)(=O)c2ccccc2F)CCC1=O ZINC000523399444 490461177 /nfs/dbraw/zinc/46/11/77/490461177.db2.gz WQMWUWAQCOKOII-LLVKDONJSA-N -1 3 357.407 0.231 10 0 FCAEHM Cc1noc(CCNC(=O)NCc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)n1 ZINC000523638193 490479859 /nfs/dbraw/zinc/47/98/59/490479859.db2.gz CIWHETYJRUSUTM-KRWDZBQOSA-N -1 3 372.385 0.475 10 0 FCAEHM CCCCS(=O)(=O)[N-]CC(=O)Nc1nnc(CCC(=O)OC)s1 ZINC000535596077 490506262 /nfs/dbraw/zinc/50/62/62/490506262.db2.gz RUGQRRIFEHPZQI-UHFFFAOYSA-N -1 3 364.449 0.302 10 0 FCAEHM CNS(=O)(=O)c1ccc(C[N-]S(=O)(=O)c2cnccc2C)s1 ZINC000451030135 490508187 /nfs/dbraw/zinc/50/81/87/490508187.db2.gz MNWURLFEGWXLBO-UHFFFAOYSA-N -1 3 361.470 0.838 10 0 FCAEHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N(CCO)[C@@H]1CCO[C@@H]1C ZINC000485216304 490514821 /nfs/dbraw/zinc/51/48/21/490514821.db2.gz XTRJIOJVFBJWEP-MWLCHTKSSA-N -1 3 356.400 0.472 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1CCn2ccnc2C1 ZINC000548623602 490519393 /nfs/dbraw/zinc/51/93/93/490519393.db2.gz OANVDFNPHSBJRB-LLVKDONJSA-N -1 3 355.441 0.580 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCc1ccc(C(=O)Nc2cccnc2)cc1 ZINC000485412047 490528000 /nfs/dbraw/zinc/52/80/00/490528000.db2.gz SXPFYUYTEUJHPT-AWEZNQCLSA-N -1 3 367.365 0.548 10 0 FCAEHM COC[C@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1)c1ccccc1 ZINC000535832501 490534797 /nfs/dbraw/zinc/53/47/97/490534797.db2.gz AUKXFJHZSYWASG-AWEZNQCLSA-N -1 3 366.443 0.511 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCCCc1nc(-c2ccncc2)cs1 ZINC000536075383 490551966 /nfs/dbraw/zinc/55/19/66/490551966.db2.gz QZIVKZUGYHYWMQ-NSHDSACASA-N -1 3 359.411 0.852 10 0 FCAEHM CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000536083087 490552396 /nfs/dbraw/zinc/55/23/96/490552396.db2.gz IIJDUCINJIBROP-MRXNPFEDSA-N -1 3 365.389 1.000 10 0 FCAEHM Cn1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)n1 ZINC000501147132 490584414 /nfs/dbraw/zinc/58/44/14/490584414.db2.gz PYCCUSMYLKWVEK-UHFFFAOYSA-N -1 3 358.807 0.416 10 0 FCAEHM Cc1nc(C(=O)NCc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)c(=O)[nH]c1C ZINC000486045277 490586611 /nfs/dbraw/zinc/58/66/11/490586611.db2.gz NMYUVILJPXAGHJ-SFHVURJKSA-N -1 3 369.381 0.784 10 0 FCAEHM Cn1cc(N2CCC[C@@H](NC(=O)CNC(=O)c3ccc([O-])cc3)C2)cn1 ZINC000525253614 490588802 /nfs/dbraw/zinc/58/88/02/490588802.db2.gz RZCDDWLTNYQZOE-CQSZACIVSA-N -1 3 357.414 0.641 10 0 FCAEHM CS(=O)(=O)N1CCCC[C@H]1C[N-]S(=O)(=O)c1cncc(F)c1 ZINC000511432509 490594895 /nfs/dbraw/zinc/59/48/95/490594895.db2.gz YOTFREMJOYFCFK-NSHDSACASA-N -1 3 351.425 0.313 10 0 FCAEHM Cn1ccnc(N2CCN(C(=O)NCc3ccc([O-])c(F)c3)CC2)c1=O ZINC000525303182 490595527 /nfs/dbraw/zinc/59/55/27/490595527.db2.gz KTBJNUZWRQNLLC-UHFFFAOYSA-N -1 3 361.377 0.657 10 0 FCAEHM CS(=O)(=O)CCCS(=O)(=O)[N-][C@H]1CCCN(c2ccccc2)C1=O ZINC000525387281 490601502 /nfs/dbraw/zinc/60/15/02/490601502.db2.gz CUGDKDWABXOMIU-AWEZNQCLSA-N -1 3 374.484 0.536 10 0 FCAEHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(CCO)[C@@H]1CCO[C@H]1C ZINC000501467584 490606875 /nfs/dbraw/zinc/60/68/75/490606875.db2.gz ALAHORAUIOUMGK-WDEREUQCSA-N -1 3 370.427 0.780 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)N[C@H]2CCC[C@H](C(N)=O)C2)ccc1F ZINC000486517737 490642217 /nfs/dbraw/zinc/64/22/17/490642217.db2.gz LGGGLWQBRJIPAT-UWVGGRQHSA-N -1 3 372.422 0.899 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)N2CC[C@H](NC(N)=O)C2)ccc1F ZINC000486569757 490647997 /nfs/dbraw/zinc/64/79/97/490647997.db2.gz YKDNCGGPDCKNQZ-VIFPVBQESA-N -1 3 359.383 0.008 10 0 FCAEHM C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000525939965 490657072 /nfs/dbraw/zinc/65/70/72/490657072.db2.gz ULBAVPLJAHZNTL-IUCAKERBSA-N -1 3 354.354 0.498 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(C)CC(=O)N(C)C ZINC000487355776 490707624 /nfs/dbraw/zinc/70/76/24/490707624.db2.gz OZPKJOOZWIMOCX-UHFFFAOYSA-N -1 3 357.414 0.620 10 0 FCAEHM CNC(=O)COc1ccc(NC(=O)c2cc(=O)[n-]c(N(C)C)n2)c(C)c1 ZINC000527280355 490713457 /nfs/dbraw/zinc/71/34/57/490713457.db2.gz RSEGPXFPMGTJGH-UHFFFAOYSA-N -1 3 359.386 0.934 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)COCc2cc(C)no2)s1 ZINC000513301591 490720799 /nfs/dbraw/zinc/72/07/99/490720799.db2.gz ZIDGAUYJUONYJU-UHFFFAOYSA-N -1 3 359.429 0.786 10 0 FCAEHM CN(C)c1nccc(C[N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)n1 ZINC000538282129 490724623 /nfs/dbraw/zinc/72/46/23/490724623.db2.gz IHCLTWOTMPABRX-UHFFFAOYSA-N -1 3 370.456 0.425 10 0 FCAEHM O=C(c1ccccc1)N1C[C@@H](CN=c2ncnc3[nH][n-]cc2-3)N2CC[C@H]1C2 ZINC000538293140 490725008 /nfs/dbraw/zinc/72/50/08/490725008.db2.gz GONCOKFMEAEQKI-LSDHHAIUSA-N -1 3 363.425 0.737 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N2[C@H](C)C[C@H]2C)s1 ZINC000527474137 490728237 /nfs/dbraw/zinc/72/82/37/490728237.db2.gz BKKQTMSGHIOKGB-NXEZZACHSA-N -1 3 359.473 0.672 10 0 FCAEHM CC1(C)Cc2ccc(C(=O)N[C@H]3CCN(S(C)(=O)=O)C3)c([O-])c2O1 ZINC000572128983 491350420 /nfs/dbraw/zinc/35/04/20/491350420.db2.gz WEDGWQIQRHPTBE-NSHDSACASA-N -1 3 354.428 0.869 10 0 FCAEHM NS(=O)(=O)c1ccc(C(=O)[N-]c2ncn(Cc3ccccc3)n2)nc1 ZINC000538418449 490732311 /nfs/dbraw/zinc/73/23/11/490732311.db2.gz IKIXPCVTCCNVOH-UHFFFAOYSA-N -1 3 358.383 0.621 10 0 FCAEHM COC(=O)CCN(Cc1ccc(F)c(F)c1)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000488649289 490769894 /nfs/dbraw/zinc/76/98/94/490769894.db2.gz YVMIBWFMSQPVOO-LBPRGKRZSA-N -1 3 369.324 0.455 10 0 FCAEHM CCOC(=O)[C@@H](CCOC(C)(C)C)[N-]S(=O)(=O)N1CCOCC1 ZINC000539555680 490788749 /nfs/dbraw/zinc/78/87/49/490788749.db2.gz HOIKZUCAIWZEPP-GFCCVEGCSA-N -1 3 352.453 0.290 10 0 FCAEHM CCn1ncc(C[N-]S(=O)(=O)c2cc(NC(C)=O)ccc2OC)n1 ZINC000528444836 490798328 /nfs/dbraw/zinc/79/83/28/490798328.db2.gz HGCWBMQLDQBMLJ-UHFFFAOYSA-N -1 3 353.404 0.744 10 0 FCAEHM CCN(CC)CCS(=O)(=O)[N-][C@H](C(=O)OC)[C@@H]1CCC[C@H](OC)C1 ZINC000514944795 490799757 /nfs/dbraw/zinc/79/97/57/490799757.db2.gz QMKUIBPEJNRRQX-ILXRZTDVSA-N -1 3 364.508 0.994 10 0 FCAEHM O=S(=O)([N-]C[C@@H](O)[C@H]1CCCO1)c1ccc(Br)cn1 ZINC000528495237 490803578 /nfs/dbraw/zinc/80/35/78/490803578.db2.gz YSIKXUGUPOZOSB-NXEZZACHSA-N -1 3 351.222 0.662 10 0 FCAEHM O=C1CCc2cc(S(=O)(=O)[N-]C[C@H](O)[C@H]3CCCO3)c(F)cc2N1 ZINC000528495389 490803828 /nfs/dbraw/zinc/80/38/28/490803828.db2.gz ZFDRMPBRBRUJPH-QWHCGFSZSA-N -1 3 358.391 0.529 10 0 FCAEHM CN1C(=O)c2ccccc2[C@H]1C[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000528544160 490808013 /nfs/dbraw/zinc/80/80/13/490808013.db2.gz AWFRVBKEIWHVGQ-CYBMUJFWSA-N -1 3 362.411 0.771 10 0 FCAEHM COc1ccc2c(c1)[n-]cc(C(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1)c2=O ZINC000540473217 490824941 /nfs/dbraw/zinc/82/49/41/490824941.db2.gz XGSABTSHVKLSBT-BLLLJJGKSA-N -1 3 373.409 0.902 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCC[C@@]2(CCCOC2)C1 ZINC000572294225 491361248 /nfs/dbraw/zinc/36/12/48/491361248.db2.gz DYPYTPKEQZLTBY-MRXNPFEDSA-N -1 3 371.459 0.989 10 0 FCAEHM Cc1cc(C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c(C)n1[C@H]1CCOC1 ZINC000529211155 490845910 /nfs/dbraw/zinc/84/59/10/490845910.db2.gz LJHLSVUVNBCAJS-UGSOOPFHSA-N -1 3 360.414 0.881 10 0 FCAEHM CC(C)NC(=O)C(=O)N1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000506088180 490849916 /nfs/dbraw/zinc/84/99/16/490849916.db2.gz VDBZDMOKTKTFIV-UHFFFAOYSA-N -1 3 370.409 0.337 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@H](Cn1ccccc1=O)c1ccccc1 ZINC000506078349 490850074 /nfs/dbraw/zinc/85/00/74/490850074.db2.gz PBLNNQYGKYUBBH-CQSZACIVSA-N -1 3 354.366 0.258 10 0 FCAEHM O=S(=O)([N-]CC(F)F)c1cccc(S(=O)(=O)N2CCCCO2)c1 ZINC000565231340 491361948 /nfs/dbraw/zinc/36/19/48/491361948.db2.gz CMHNVZUGGCCARD-UHFFFAOYSA-N -1 3 370.399 0.946 10 0 FCAEHM O=C(N[C@@H]1CNC(=O)C1)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000541706807 490869663 /nfs/dbraw/zinc/86/96/63/490869663.db2.gz RWNVYWSSYXVMIG-VIFPVBQESA-N -1 3 369.424 0.438 10 0 FCAEHM COc1cc(C(=O)NC[C@]2(CO)COCC3(CCC3)N2C)ccc1[O-] ZINC000529754102 490873338 /nfs/dbraw/zinc/87/33/38/490873338.db2.gz VDXWDXPEXORHMF-SFHVURJKSA-N -1 3 350.415 0.746 10 0 FCAEHM CC1(C)OC[C@H]2C[C@]21NC(=O)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000529786479 490877567 /nfs/dbraw/zinc/87/75/67/490877567.db2.gz SALRELUOMMETFZ-WYRIXSBYSA-N -1 3 355.394 0.942 10 0 FCAEHM C[C@H]1CCN(C(=O)C(=O)NCc2cccc(CN(C)C)c2)C[C@@H]1C(=O)[O-] ZINC000517236484 490900754 /nfs/dbraw/zinc/90/07/54/490900754.db2.gz XZTOBKJXNFNEOE-BBRMVZONSA-N -1 3 361.442 0.934 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]CCCN2CCCC2=O)c(F)c1 ZINC000530425573 490904807 /nfs/dbraw/zinc/90/48/07/490904807.db2.gz BGMXSBITYFNZOH-UHFFFAOYSA-N -1 3 358.391 0.903 10 0 FCAEHM NC(=O)COc1ccc(Cl)cc1S(=O)(=O)[N-]CCCn1ccnn1 ZINC000543168747 490923572 /nfs/dbraw/zinc/92/35/72/490923572.db2.gz KSFOVFVMZHFXMS-UHFFFAOYSA-N -1 3 373.822 0.164 10 0 FCAEHM O=C(NCCCn1ccnn1)NCC[N-]S(=O)(=O)c1cccs1 ZINC000543232597 490926567 /nfs/dbraw/zinc/92/65/67/490926567.db2.gz NTDOXPRECZTKQC-UHFFFAOYSA-N -1 3 358.449 0.007 10 0 FCAEHM CC(C)(C)NS(=O)(=O)CCNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000518415282 490940185 /nfs/dbraw/zinc/94/01/85/490940185.db2.gz ZOPVKVUSUKDWJY-UHFFFAOYSA-N -1 3 351.428 0.976 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]Cc2ccccc2CN2CC[C@H](O)C2)c1 ZINC000543774988 490946377 /nfs/dbraw/zinc/94/63/77/490946377.db2.gz RCXSOROYSLLOSJ-INIZCTEOSA-N -1 3 364.471 0.948 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NC1CCS(=O)(=O)CC1 ZINC000531308343 490951884 /nfs/dbraw/zinc/95/18/84/490951884.db2.gz UIHINYLYJYSPMU-UHFFFAOYSA-N -1 3 364.427 0.858 10 0 FCAEHM COC(=O)[C@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1ccc2ccccc2c1 ZINC000544028705 490955702 /nfs/dbraw/zinc/95/57/02/490955702.db2.gz MXCRPUDUWHNFGP-DZGCQCFKSA-N -1 3 355.350 0.768 10 0 FCAEHM CC(=O)Nc1ccc(NC(=O)CN2CCC[C@H]2c2nc(=N)n(C)[n-]2)cc1 ZINC000557335150 491368080 /nfs/dbraw/zinc/36/80/80/491368080.db2.gz PKUREZMGSGRGHI-AWEZNQCLSA-N -1 3 357.418 0.962 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CC[C@@H](C(C)(C)C)[C@H](O)C2)cn1C ZINC000544656625 490974763 /nfs/dbraw/zinc/97/47/63/490974763.db2.gz SNCJGTZZSZBUSB-CHWSQXEVSA-N -1 3 372.491 0.262 10 0 FCAEHM Cn1[n-]c(-c2cccs2)nc1=NS(=O)(=O)c1cnc2n1CCC2 ZINC000519576082 490977612 /nfs/dbraw/zinc/97/76/12/490977612.db2.gz OORRZBFSVKZWNR-UHFFFAOYSA-N -1 3 350.429 0.909 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2CC(=O)NC[C@H]2Cc3ccccc3O2)nc1=N ZINC000519625141 490980123 /nfs/dbraw/zinc/98/01/23/490980123.db2.gz FKCYGZUEWRYZDJ-KGLIPLIRSA-N -1 3 356.430 0.484 10 0 FCAEHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(N)=O)C2)s1 ZINC000532450824 490993052 /nfs/dbraw/zinc/99/30/52/490993052.db2.gz KIPQBTVZLAALSP-NEPJUHHUSA-N -1 3 373.500 0.749 10 0 FCAEHM COC(=O)[C@@H](CF)[N-]S(=O)(=O)c1cnc2c(Cl)c(C)nn2c1 ZINC000553903196 491163073 /nfs/dbraw/zinc/16/30/73/491163073.db2.gz ZUIUNQLFIRKZSW-MRVPVSSYSA-N -1 3 350.759 0.481 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)C2(S(C)(=O)=O)CC2)c(C)o1 ZINC000569756742 491188929 /nfs/dbraw/zinc/18/89/29/491188929.db2.gz NDQUMTBQFCSELK-SECBINFHSA-N -1 3 364.445 0.192 10 0 FCAEHM C[C@@H](NC(=O)CNC(=O)c1ccccn1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673507866 493337307 /nfs/dbraw/zinc/33/73/07/493337307.db2.gz CYRITQPENPQEED-NWDGAFQWSA-N -1 3 371.397 0.692 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(C(=O)[C@H](O)C3CCOCC3)CC2)n[n-]1 ZINC000565519668 491381674 /nfs/dbraw/zinc/38/16/74/491381674.db2.gz YIQAFDHAZXEQGE-CYBMUJFWSA-N -1 3 366.418 0.475 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(C(=O)[C@H](O)C3CCOCC3)CC2)[n-]1 ZINC000565519668 491381678 /nfs/dbraw/zinc/38/16/78/491381678.db2.gz YIQAFDHAZXEQGE-CYBMUJFWSA-N -1 3 366.418 0.475 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)CNC(=O)c2cc(F)cc(F)c2)nc1=N ZINC000566073433 491416141 /nfs/dbraw/zinc/41/61/41/491416141.db2.gz LMBDRWISBFVYKP-GFCCVEGCSA-N -1 3 364.356 0.599 10 0 FCAEHM CN(CC[N-]S(=O)(=O)c1cscn1)S(=O)(=O)c1cscn1 ZINC000566170365 491422567 /nfs/dbraw/zinc/42/25/67/491422567.db2.gz SATWWDDFNNQKMX-UHFFFAOYSA-N -1 3 368.487 0.199 10 0 FCAEHM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N1CCNC[C@@](C)(F)C1 ZINC000566251941 491431046 /nfs/dbraw/zinc/43/10/46/491431046.db2.gz ZOKFWJLNIATJHY-QGZVFWFLSA-N -1 3 360.393 0.650 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)NCCOCC3CCC3)cnc21 ZINC000558650732 491439899 /nfs/dbraw/zinc/43/98/99/491439899.db2.gz YGQFSZJIFQFEMA-UHFFFAOYSA-N -1 3 368.415 0.129 10 0 FCAEHM CN(C)c1nc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)cc(=O)[n-]1 ZINC000558961063 491449972 /nfs/dbraw/zinc/44/99/72/491449972.db2.gz COMQFJSYEPXQNX-CYBMUJFWSA-N -1 3 355.398 0.779 10 0 FCAEHM Cc1cc(NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)cc(OCCO)c1 ZINC000573768932 491453724 /nfs/dbraw/zinc/45/37/24/491453724.db2.gz HHLFUGGLPCMUFY-UHFFFAOYSA-N -1 3 368.415 0.017 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)c2ccc3c(c2)NC(=O)CCN3C)nc1=N ZINC000559257496 491458537 /nfs/dbraw/zinc/45/85/37/491458537.db2.gz KWNLAICNVKCNHD-CQSZACIVSA-N -1 3 369.429 0.983 10 0 FCAEHM O=C(CNC(=O)[C@H]1C[C@@H]1C(F)F)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC000573977256 491466389 /nfs/dbraw/zinc/46/63/89/491466389.db2.gz TVPZSMJFYTVDFJ-YUMQZZPRSA-N -1 3 352.297 0.997 10 0 FCAEHM O=C(CNC(=O)[C@H]1C[C@@H]1C(F)F)Nc1cccc2c(=O)[n-][nH]c(=O)c12 ZINC000573977256 491466391 /nfs/dbraw/zinc/46/63/91/491466391.db2.gz TVPZSMJFYTVDFJ-YUMQZZPRSA-N -1 3 352.297 0.997 10 0 FCAEHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]C(C)(C)c1cn(C)nn1 ZINC000574039503 491470279 /nfs/dbraw/zinc/47/02/79/491470279.db2.gz LIRAZTFMFQPCAX-UHFFFAOYSA-N -1 3 356.404 0.971 10 0 FCAEHM CNC(=O)CNC(=O)c1cccc([N-]S(=O)(=O)C[C@@H](OC)C2CC2)c1 ZINC000574204299 491481075 /nfs/dbraw/zinc/48/10/75/491481075.db2.gz ASNRNDVHMCAQKM-CQSZACIVSA-N -1 3 369.443 0.329 10 0 FCAEHM COc1ccc(C(=O)NCC(=O)N2CCC[C@H]2c2nc(=N)n(C)[n-]2)cc1 ZINC000567279489 491496844 /nfs/dbraw/zinc/49/68/44/491496844.db2.gz NKNLUZXEZYAQDX-ZDUSSCGKSA-N -1 3 358.402 0.330 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NCc1cccnc1N(C)C ZINC000567431345 491506314 /nfs/dbraw/zinc/50/63/14/491506314.db2.gz FSNPHZHFHGXKJE-UHFFFAOYSA-N -1 3 367.431 0.347 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]CC(=O)N1CCc2ccccc2C1)C1CC1 ZINC000567584484 491515033 /nfs/dbraw/zinc/51/50/33/491515033.db2.gz SRPGFTOJQKEWIE-INIZCTEOSA-N -1 3 352.456 0.916 10 0 FCAEHM CC(C)n1ncc2c1C[C@@H](NC(=O)N1CCN3C(=O)[N-]C(=O)[C@H]3C1)CC2 ZINC000574951592 491530043 /nfs/dbraw/zinc/53/00/43/491530043.db2.gz KPQQIAGUTPWVOS-GXTWGEPZSA-N -1 3 360.418 0.267 10 0 FCAEHM CCn1nccc1S(=O)(=O)N1CCC[C@H]1C[C@]1(C)NC(=O)[N-]C1=O ZINC000560471440 491540846 /nfs/dbraw/zinc/54/08/46/491540846.db2.gz JLRGNUQISQHFGQ-HZMBPMFUSA-N -1 3 355.420 0.044 10 0 FCAEHM CCC[C@@H](C)[C@@H](CO)NS(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000568033301 491548974 /nfs/dbraw/zinc/54/89/74/491548974.db2.gz ICCXBCOLXCAVIJ-BXKDBHETSA-N -1 3 370.431 0.110 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)CCNC(=O)c2ccc(F)cc2)nc1=N ZINC000568047549 491549891 /nfs/dbraw/zinc/54/98/91/491549891.db2.gz PTDXJFWCIWFRCN-CYBMUJFWSA-N -1 3 360.393 0.850 10 0 FCAEHM O=C(Cc1cncc([O-])c1)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000568233093 491561599 /nfs/dbraw/zinc/56/15/99/491561599.db2.gz CUBDVIAHODLLOB-AWEZNQCLSA-N -1 3 361.423 0.909 10 0 FCAEHM CCN(CC)CCS(=O)(=O)NCc1ccc(S(=O)(=O)[N-]C)s1 ZINC000576151988 491586661 /nfs/dbraw/zinc/58/66/61/491586661.db2.gz VZRPHIJIFAYJJX-UHFFFAOYSA-N -1 3 369.534 0.417 10 0 FCAEHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]CC3(CS(C)(=O)=O)CC3)cn21 ZINC000584458462 491593599 /nfs/dbraw/zinc/59/35/99/491593599.db2.gz WPOMIYILBIAPNV-LLVKDONJSA-N -1 3 361.489 0.884 10 0 FCAEHM CCn1c2ccccc2n(CC(=O)N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)c1=O ZINC000577146100 491595397 /nfs/dbraw/zinc/59/53/97/491595397.db2.gz WCLRPNZIXVNXET-CQSZACIVSA-N -1 3 369.429 0.728 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-]C[C@H](CO)c2cccnc2)c(C)o1 ZINC000561561343 491616753 /nfs/dbraw/zinc/61/67/53/491616753.db2.gz SADUNFJHEGEOFZ-GFCCVEGCSA-N -1 3 354.384 0.824 10 0 FCAEHM O=C(CC1(n2cnnn2)CCOCC1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000668444178 493356144 /nfs/dbraw/zinc/35/61/44/493356144.db2.gz JMSXPVUGYCSBSG-UHFFFAOYSA-N -1 3 369.389 0.065 10 0 FCAEHM O=C(CC1(n2cnnn2)CCOCC1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000668444178 493356147 /nfs/dbraw/zinc/35/61/47/493356147.db2.gz JMSXPVUGYCSBSG-UHFFFAOYSA-N -1 3 369.389 0.065 10 0 FCAEHM CCO[C@H]1C[C@@]([N-]S(=O)(=O)CCN(CC)CC)(C(=O)OC)C1(C)C ZINC000576744054 491641060 /nfs/dbraw/zinc/64/10/60/491641060.db2.gz REGDVDMYKGDGAU-XJKSGUPXSA-N -1 3 364.508 0.994 10 0 FCAEHM O=C(Nc1ccc(Cl)cc1)C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000569312828 491651377 /nfs/dbraw/zinc/65/13/77/491651377.db2.gz YTXMODWBANQVMO-HNNXBMFYSA-N -1 3 350.762 0.479 10 0 FCAEHM C[C@@H]1CCN[C@H](C(=O)N[C@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)C1 ZINC000577855197 491657347 /nfs/dbraw/zinc/65/73/47/491657347.db2.gz IVWOPRQQRKOSNO-SYAUCNOPSA-N -1 3 359.426 0.918 10 0 FCAEHM C[C@@H]1Oc2ccccc2N(CC(=O)N2CCC[C@H]2c2nc(=N)n(C)[n-]2)C1=O ZINC000584668218 491709745 /nfs/dbraw/zinc/70/97/45/491709745.db2.gz PRHQPDGEQNRXPV-AAEUAGOBSA-N -1 3 370.413 0.705 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C[C@H]1CC(=O)N(C2CC2)C1 ZINC000584682162 491710003 /nfs/dbraw/zinc/71/00/03/491710003.db2.gz JEIKBDZZSFDHHU-LLVKDONJSA-N -1 3 370.427 0.972 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(CN2C(=O)CNC2=O)c1)C1CC1 ZINC000580325268 491726360 /nfs/dbraw/zinc/72/63/60/491726360.db2.gz SAIDEJCXEUEPMR-AWEZNQCLSA-N -1 3 367.427 0.905 10 0 FCAEHM COC(=O)c1sccc1S(=O)(=O)[N-]C[C@H](CO)c1cccnc1 ZINC000580970174 491753999 /nfs/dbraw/zinc/75/39/99/491753999.db2.gz YGWJFUGGPARARH-LLVKDONJSA-N -1 3 356.425 0.984 10 0 FCAEHM COC(=O)c1sccc1S(=O)(=O)[N-]C[C@@H](CO)c1cccnc1 ZINC000580970180 491754003 /nfs/dbraw/zinc/75/40/03/491754003.db2.gz YGWJFUGGPARARH-NSHDSACASA-N -1 3 356.425 0.984 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]CC(C)(C)S(C)(=O)=O ZINC000589223376 491757843 /nfs/dbraw/zinc/75/78/43/491757843.db2.gz MKEPKERLRKLKFO-UHFFFAOYSA-N -1 3 367.445 0.785 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-]CC2(O)Cc3ccccc3C2)CCC1 ZINC000581105580 491759616 /nfs/dbraw/zinc/75/96/16/491759616.db2.gz GIYHTEGQUZIKQU-UHFFFAOYSA-N -1 3 353.440 0.779 10 0 FCAEHM O=S(=O)(Cc1ccon1)[N-]C[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000581545876 491777231 /nfs/dbraw/zinc/77/72/31/491777231.db2.gz HULJEHKTYCQBOF-NSHDSACASA-N -1 3 358.397 0.329 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NC[C@@H](CO)[C@@H]1CCOC1 ZINC000582279406 491805313 /nfs/dbraw/zinc/80/53/13/491805313.db2.gz GEFFNPKAWTXPGR-NEPJUHHUSA-N -1 3 360.414 0.926 10 0 FCAEHM C[C@]1(c2ccc(CNC(=O)N3CCN(C4CC4)CC3)cc2)NC(=O)[N-]C1=O ZINC000591586116 491809635 /nfs/dbraw/zinc/80/96/35/491809635.db2.gz FUHOYTUJNGVYHP-LJQANCHMSA-N -1 3 371.441 0.731 10 0 FCAEHM COc1cc(NC(=O)C[N-]S(=O)(=O)C[C@H](OC)C2CC2)cc(OC)c1 ZINC000582484325 491814435 /nfs/dbraw/zinc/81/44/35/491814435.db2.gz IFBITIWCLYYNJR-HNNXBMFYSA-N -1 3 372.443 0.987 10 0 FCAEHM O=C(CNC(=O)c1nc2ccccc2c(=O)[n-]1)NCCN1CCCCCC1 ZINC000582643244 491820833 /nfs/dbraw/zinc/82/08/33/491820833.db2.gz ZJWYWJNITNMRFC-UHFFFAOYSA-N -1 3 371.441 0.645 10 0 FCAEHM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC1=CCOCC1 ZINC000582707348 491823286 /nfs/dbraw/zinc/82/32/86/491823286.db2.gz WFDUMCAYNFWIIY-UHFFFAOYSA-N -1 3 360.457 0.562 10 0 FCAEHM COC(=O)c1ccc(C[N-]S(=O)(=O)C[C@H](OC)C2CCOCC2)o1 ZINC000592029150 491828057 /nfs/dbraw/zinc/82/80/57/491828057.db2.gz DRRGLYRNSAQOBT-AWEZNQCLSA-N -1 3 361.416 0.927 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)nc1=N ZINC000583132139 491838718 /nfs/dbraw/zinc/83/87/18/491838718.db2.gz NEKMBAUIEXZWHA-GJZGRUSLSA-N -1 3 368.441 0.940 10 0 FCAEHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC000583369606 491843390 /nfs/dbraw/zinc/84/33/90/491843390.db2.gz VFAGADABEZKZRE-AOOOYVTPSA-N -1 3 354.384 0.490 10 0 FCAEHM O=C1[N-]C(=O)[C@H](Cc2nc(-c3ccc(N4CCOCC4)c(F)c3)no2)N1 ZINC000584086031 491858259 /nfs/dbraw/zinc/85/82/59/491858259.db2.gz OAVWYCAWORHRMN-NSHDSACASA-N -1 3 361.333 0.463 10 0 FCAEHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H]2CC[C@@H](C)S(=O)(=O)C2)c1 ZINC000594848959 491866411 /nfs/dbraw/zinc/86/64/11/491866411.db2.gz HHUSCTZJXNPVIH-PSASIEDQSA-N -1 3 367.470 0.779 10 0 FCAEHM COC(=O)[C@@](C)(CCF)[N-]S(=O)(=O)C1CN(C(=O)c2ccccc2)C1 ZINC000594864567 491868013 /nfs/dbraw/zinc/86/80/13/491868013.db2.gz GQRDQXOJTNQAKQ-MRXNPFEDSA-N -1 3 372.418 0.722 10 0 FCAEHM COC(=O)[C@H](C[C@H]1CCCOC1)NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000600839673 491886503 /nfs/dbraw/zinc/88/65/03/491886503.db2.gz XVUMUVKRAKMNCU-DOMZBBRYSA-N -1 3 364.398 0.597 10 0 FCAEHM C[C@H]1Cc2ccccc2N1C1CCN(C(=O)CN2CC(=O)[N-]C2=O)CC1 ZINC000600958144 491890453 /nfs/dbraw/zinc/89/04/53/491890453.db2.gz GZHICVPOMMABHZ-ZDUSSCGKSA-N -1 3 356.426 0.980 10 0 FCAEHM O=C(CNC(=O)c1ccc([O-])cc1)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000601041943 491894951 /nfs/dbraw/zinc/89/49/51/491894951.db2.gz KMJSDWZWTUISEV-HNNXBMFYSA-N -1 3 359.426 0.983 10 0 FCAEHM COC(=O)C[C@@H]([N-]S(=O)(=O)C[C@H]1CN(C)CCO1)c1cccs1 ZINC000601298706 491902782 /nfs/dbraw/zinc/90/27/82/491902782.db2.gz RMUYMTWBIQXIGC-VXGBXAGGSA-N -1 3 362.473 0.602 10 0 FCAEHM COC(=O)[C@@H]([N-]S(=O)(=O)CCCN(C)C)c1ccc(OC)cc1OC ZINC000601394010 491912227 /nfs/dbraw/zinc/91/22/27/491912227.db2.gz LSEIRVMSXSRZAT-HNNXBMFYSA-N -1 3 374.459 0.789 10 0 FCAEHM COC(=O)c1cnc([C@@H](C)[N-]S(=O)(=O)C[C@@H]2CN(C)CCO2)s1 ZINC000601447760 491920603 /nfs/dbraw/zinc/92/06/03/491920603.db2.gz VIXXFGYECQXIJX-ZJUUUORDSA-N -1 3 363.461 0.241 10 0 FCAEHM COC(=O)c1cnc([C@H](C)[N-]S(=O)(=O)C[C@@H]2CN(C)CCO2)s1 ZINC000601447758 491920717 /nfs/dbraw/zinc/92/07/17/491920717.db2.gz VIXXFGYECQXIJX-UWVGGRQHSA-N -1 3 363.461 0.241 10 0 FCAEHM CCOC(=O)[C@@H](CC1(OC)CCC1)[N-]S(=O)(=O)CC1(N(C)C)CC1 ZINC000601454976 491921912 /nfs/dbraw/zinc/92/19/12/491921912.db2.gz UQUYMXKOPAVQJU-CYBMUJFWSA-N -1 3 362.492 0.891 10 0 FCAEHM CC(C)(C)OC(=O)[C@]1([N-]S(=O)(=O)CCCN2CCCC2)CCOC1 ZINC000601463134 491923370 /nfs/dbraw/zinc/92/33/70/491923370.db2.gz HGORPNSJTVFMRX-INIZCTEOSA-N -1 3 362.492 0.893 10 0 FCAEHM COC(=O)[C@H](Cc1cccc(OC)c1)[N-]S(=O)(=O)CC1(N(C)C)CC1 ZINC000601475094 491925679 /nfs/dbraw/zinc/92/56/79/491925679.db2.gz ZTSLVCAJMQYWSF-HNNXBMFYSA-N -1 3 370.471 0.793 10 0 FCAEHM CC(C)(C)OC(=O)CN1CC[C@H](N2CCC[C@@H](c3n[n-]c(=O)o3)C2)C1=O ZINC000595475263 491935206 /nfs/dbraw/zinc/93/52/06/491935206.db2.gz NXBMDAUJUYINAC-NEPJUHHUSA-N -1 3 366.418 0.897 10 0 FCAEHM COC(=O)[C@H]1CCS(=O)(=O)N1Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000596309665 491983848 /nfs/dbraw/zinc/98/38/48/491983848.db2.gz ROBWFYCIASZKMY-CYBMUJFWSA-N -1 3 363.395 0.926 10 0 FCAEHM C[C@H](CCNC(=O)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1)[S@@](C)=O ZINC000614196543 492019018 /nfs/dbraw/zinc/01/90/18/492019018.db2.gz IVFWSYFSEHRSRY-HEDCJPEHSA-N -1 3 366.443 0.716 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)c2cnn(-c3ccccc3)c2N)nc1=N ZINC000614427072 492029459 /nfs/dbraw/zinc/02/94/59/492029459.db2.gz KQQXIJWTDKBDCF-ZDUSSCGKSA-N -1 3 352.402 0.973 10 0 FCAEHM COC(=O)c1cc(Cl)cc(NC(=O)[C@@H]2CCN=C3C2=NNN3C)c1[O-] ZINC000597650253 492056247 /nfs/dbraw/zinc/05/62/47/492056247.db2.gz VSVAKIAALLYFBK-MRVPVSSYSA-N -1 3 365.777 0.995 10 0 FCAEHM C[C@H](NC(=O)[C@H](O)Cc1cnn(C)c1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614827720 492058636 /nfs/dbraw/zinc/05/86/36/492058636.db2.gz RVCOEIYVTGSSMX-COPLHBTASA-N -1 3 361.402 0.204 10 0 FCAEHM COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)CC[C@@H]1NC(=O)[N-]C1=O ZINC000604546726 492063377 /nfs/dbraw/zinc/06/33/77/492063377.db2.gz QMLDJFYGOKVHJA-OCCSQVGLSA-N -1 3 361.398 0.813 10 0 FCAEHM COC(=O)C[C@H](NC(=O)Cc1ccc(Br)cc1[O-])C(=O)OC ZINC000614917697 492064058 /nfs/dbraw/zinc/06/40/58/492064058.db2.gz WBILHZKAYLZJQS-JTQLQIEISA-N -1 3 374.187 0.918 10 0 FCAEHM CCOC(=O)[C@H](NC(=O)CC[C@H]1NC(=O)[N-]C1=O)C1CCCCCC1 ZINC000597824528 492068972 /nfs/dbraw/zinc/06/89/72/492068972.db2.gz NXBCSMPBIXLIRF-TZMCWYRMSA-N -1 3 353.419 0.993 10 0 FCAEHM COC[C@]1(C(=O)OC)CCCN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000597959076 492075263 /nfs/dbraw/zinc/07/52/63/492075263.db2.gz UAAIMMKLMVIRHE-INIZCTEOSA-N -1 3 370.427 0.852 10 0 FCAEHM COC(=O)c1ccc2c(c1)[C@H](CNC(=O)CC[C@H]1NC(=O)[N-]C1=O)CCC2 ZINC000598104057 492083251 /nfs/dbraw/zinc/08/32/51/492083251.db2.gz GUXMCDLQJUBSQE-DZGCQCFKSA-N -1 3 373.409 0.998 10 0 FCAEHM CN1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000615275082 492084163 /nfs/dbraw/zinc/08/41/63/492084163.db2.gz LFSYEOKREYVICA-GJZGRUSLSA-N -1 3 358.398 0.965 10 0 FCAEHM CS(=O)(=O)[N-]c1cc(C(=O)N2CC(O)(CO)C2)cc(C(F)(F)F)c1 ZINC000615434209 492090338 /nfs/dbraw/zinc/09/03/38/492090338.db2.gz QNJLKHAORPMMRR-UHFFFAOYSA-N -1 3 368.333 0.256 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H](CC(=O)OC)C2CC2)cn1 ZINC000598268292 492092013 /nfs/dbraw/zinc/09/20/13/492092013.db2.gz AHEJPSGOTTYNSC-GFCCVEGCSA-N -1 3 355.416 0.309 10 0 FCAEHM COC(=O)[C@](C)(CCF)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000598275532 492092467 /nfs/dbraw/zinc/09/24/67/492092467.db2.gz MVSSEIXNAIAUGL-ZANVPECISA-N -1 3 366.436 0.822 10 0 FCAEHM CC(=O)c1cnc(NC(=O)C[N-]S(=O)(=O)c2cn(C)c(C)n2)s1 ZINC000605529154 492097603 /nfs/dbraw/zinc/09/76/03/492097603.db2.gz GCENKUVUNPLWOE-UHFFFAOYSA-N -1 3 357.417 0.305 10 0 FCAEHM COC(=O)[C@H]1C[C@@H](N(C)C(=O)CC[N-]S(=O)(=O)c2cccs2)C1 ZINC000598431442 492098113 /nfs/dbraw/zinc/09/81/13/492098113.db2.gz AUXVKDWEKSCMKL-PHIMTYICSA-N -1 3 360.457 0.827 10 0 FCAEHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]CCC1CS(=O)(=O)C1 ZINC000615747536 492101129 /nfs/dbraw/zinc/10/11/29/492101129.db2.gz SCTOBIFESWBCNN-UHFFFAOYSA-N -1 3 367.470 0.556 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(c3ncns3)CC2)c(C)o1 ZINC000615799692 492103693 /nfs/dbraw/zinc/10/36/93/492103693.db2.gz XLYFMOCFSGATPQ-UHFFFAOYSA-N -1 3 371.444 0.310 10 0 FCAEHM O=C(NC[C@H](O)C1CCOCC1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000605889585 492104917 /nfs/dbraw/zinc/10/49/17/492104917.db2.gz QCMMFZUGBQTFHA-RDJZCZTQSA-N -1 3 362.426 0.901 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)C[C@H](C)NC(=O)C2CCCC2)[n-]1 ZINC000615918546 492106926 /nfs/dbraw/zinc/10/69/26/492106926.db2.gz UJTVSWVVIGIBRW-JTQLQIEISA-N -1 3 351.407 0.683 10 0 FCAEHM COC(=O)[C@H]1C[C@H](C2CCCCC2)CN1Cc1cc(=O)n2nc(N)[n-]c2n1 ZINC000598597022 492107239 /nfs/dbraw/zinc/10/72/39/492107239.db2.gz VQYNPACKALWSMO-GXTWGEPZSA-N -1 3 374.445 0.774 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)CNC(=O)CCc2ccc(C)cc2)[n-]1 ZINC000615919120 492107367 /nfs/dbraw/zinc/10/73/67/492107367.db2.gz AFEKYOKGEQNMPI-UHFFFAOYSA-N -1 3 373.413 0.655 10 0 FCAEHM CCCC(=O)N1CCCC[C@H]1C(=O)NCc1nnc(C(=O)OCC)[n-]1 ZINC000615919654 492107854 /nfs/dbraw/zinc/10/78/54/492107854.db2.gz IJNUVHDEEWWPAW-NSHDSACASA-N -1 3 351.407 0.779 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)c2cnc(-c3cnn(C)c3)s2)[n-]1 ZINC000615919520 492108064 /nfs/dbraw/zinc/10/80/64/492108064.db2.gz BNYMYRLDBUGPOX-UHFFFAOYSA-N -1 3 361.387 0.768 10 0 FCAEHM CCN1CCN(CC(=O)NCc2ccc([O-])c3ncccc23)C(=O)C1=O ZINC000616019579 492114826 /nfs/dbraw/zinc/11/48/26/492114826.db2.gz DLRNLHJHNGIMAF-UHFFFAOYSA-N -1 3 356.382 0.247 10 0 FCAEHM COCCCS(=O)(=O)NCC(=O)NCc1ccc([O-])c2ncccc12 ZINC000616024353 492114835 /nfs/dbraw/zinc/11/48/35/492114835.db2.gz ARXHGDVQHBKOEZ-UHFFFAOYSA-N -1 3 367.427 0.513 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000606417606 492121959 /nfs/dbraw/zinc/12/19/59/492121959.db2.gz SPHYDCXGPXMSKB-SRVKXCTJSA-N -1 3 371.434 0.653 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N[C@H]1CCNC(=O)CC1 ZINC000616359858 492127536 /nfs/dbraw/zinc/12/75/36/492127536.db2.gz HXBNQHKQBHHEMK-MRVPVSSYSA-N -1 3 365.864 0.465 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2c(C(=O)N[C@@H]3CCNC(=O)CC3)cc(C3CC3)nc21 ZINC000616361870 492127602 /nfs/dbraw/zinc/12/76/02/492127602.db2.gz PJFUQHOZAZKRHG-JTQLQIEISA-N -1 3 371.397 0.310 10 0 FCAEHM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc4nccn4c3)cc2[nH]c1=O ZINC000606751992 492129793 /nfs/dbraw/zinc/12/97/93/492129793.db2.gz IFOAQDDQHRYSHI-UHFFFAOYSA-N -1 3 357.351 0.665 10 0 FCAEHM C[C@]1(c2ccc(NC(=O)C3C[C@@H]4COC[C@H](C3)C4=O)cc2)NC(=O)[N-]C1=O ZINC000606833018 492130312 /nfs/dbraw/zinc/13/03/12/492130312.db2.gz QJCUTGWFKUQLPY-KGNZARFDSA-N -1 3 371.393 0.921 10 0 FCAEHM C[C@]1(c2cccc(NC(=O)CNC(=O)c3ccccn3)c2)NC(=O)[N-]C1=O ZINC000606833145 492130464 /nfs/dbraw/zinc/13/04/64/492130464.db2.gz VKZFSLDDAPUPHL-GOSISDBHSA-N -1 3 367.365 0.505 10 0 FCAEHM C[C@](CO)(NC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1cccc(C(F)(F)F)c1 ZINC000616814995 492144618 /nfs/dbraw/zinc/14/46/18/492144618.db2.gz RLRAKCKRBICWSE-IINYFYTJSA-N -1 3 359.304 0.627 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@H]2CN(C3CC3)C[C@@H]2C)on1 ZINC000599259797 492150437 /nfs/dbraw/zinc/15/04/37/492150437.db2.gz XBHXWWORTUISJI-HZMBPMFUSA-N -1 3 357.432 0.753 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@H](C)[C@H](C)C(=O)OCC)on1 ZINC000599275466 492152843 /nfs/dbraw/zinc/15/28/43/492152843.db2.gz RDJRWWUTQRONOB-VHSXEESVSA-N -1 3 362.404 0.858 10 0 FCAEHM COC(=O)[C@@H](CO)[N-]S(=O)(=O)c1c(OC)cccc1OC(F)(F)F ZINC000599283301 492154262 /nfs/dbraw/zinc/15/42/62/492154262.db2.gz UTAKEXRRTOIWBP-SSDOTTSWSA-N -1 3 373.305 0.406 10 0 FCAEHM CO[C@H](CNC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)[C@H]1CCOC1 ZINC000617138838 492156508 /nfs/dbraw/zinc/15/65/08/492156508.db2.gz WYCHOUBAIBBRQI-WRSAYESZSA-N -1 3 361.398 0.523 10 0 FCAEHM CO[C@H](CNC(=O)CC[N-]S(=O)(=O)c1ccccc1F)[C@H]1CCOC1 ZINC000617152017 492157786 /nfs/dbraw/zinc/15/77/86/492157786.db2.gz CRBPPMIAJQSUMR-GXTWGEPZSA-N -1 3 374.434 0.662 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]Cc2ncnn2C(C)C)on1 ZINC000599311291 492158557 /nfs/dbraw/zinc/15/85/57/492158557.db2.gz INJNEMKSHIPOMN-UHFFFAOYSA-N -1 3 357.392 0.643 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H](CO)[C@H]2CCCOC2)on1 ZINC000599328341 492160774 /nfs/dbraw/zinc/16/07/74/492160774.db2.gz XSCGDLORJWNSTL-GWCFXTLKSA-N -1 3 362.404 0.058 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-]Cc2ccc(C(=O)OC)cn2)CCOCC1 ZINC000599341387 492162703 /nfs/dbraw/zinc/16/27/03/492162703.db2.gz ATOFFPCZRBFQLW-UHFFFAOYSA-N -1 3 372.443 0.873 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]CC(O)(C2CC2)C2CC2)on1 ZINC000599345942 492162893 /nfs/dbraw/zinc/16/28/93/492162893.db2.gz DDJQLJGRILCDKZ-UHFFFAOYSA-N -1 3 358.416 0.822 10 0 FCAEHM Cn1c(NC(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)nnc1C1CC1 ZINC000617286174 492162902 /nfs/dbraw/zinc/16/29/02/492162902.db2.gz CEGVPRDZAWFGNM-KRWDZBQOSA-N -1 3 354.370 0.999 10 0 FCAEHM Cn1c(NC(=O)c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)nnc1C1CC1 ZINC000617287692 492163411 /nfs/dbraw/zinc/16/34/11/492163411.db2.gz QRUARKZXOGAPCX-KRWDZBQOSA-N -1 3 354.370 0.999 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccc(F)c(F)c1)N[C@H](CO)C1CCC1 ZINC000617297900 492163454 /nfs/dbraw/zinc/16/34/54/492163454.db2.gz FTMQLBWHWHSMJB-CQSZACIVSA-N -1 3 362.398 0.910 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](O)[C@H]2CCCO2)c(Cl)c1 ZINC000599392493 492167396 /nfs/dbraw/zinc/16/73/96/492167396.db2.gz UOHRSYBIROBIIU-NWDGAFQWSA-N -1 3 363.819 0.945 10 0 FCAEHM C[C@H]1C[C@H](NC(=O)CC[N-]S(=O)(=O)c2ccccc2F)c2ncnn21 ZINC000617427938 492168060 /nfs/dbraw/zinc/16/80/60/492168060.db2.gz NKNQBJXIVKVKRA-JQWIXIFHSA-N -1 3 367.406 0.908 10 0 FCAEHM C[C@@H]1C[C@H](NC(=O)C[N-]S(=O)(=O)c2ccccc2F)c2ncnn21 ZINC000617427798 492168199 /nfs/dbraw/zinc/16/81/99/492168199.db2.gz MCCUOHREYHEVDA-KOLCDFICSA-N -1 3 353.379 0.518 10 0 FCAEHM C[C@H]1C[C@@H](NC(=O)CC[N-]S(=O)(=O)c2cccs2)c2ncnn21 ZINC000617428467 492168213 /nfs/dbraw/zinc/16/82/13/492168213.db2.gz SVDARQKZECOPEI-VHSXEESVSA-N -1 3 355.445 0.830 10 0 FCAEHM C[C@@H]1C[C@@H](NC(=O)CC[N-]S(=O)(=O)c2cccs2)c2ncnn21 ZINC000617428465 492168347 /nfs/dbraw/zinc/16/83/47/492168347.db2.gz SVDARQKZECOPEI-NXEZZACHSA-N -1 3 355.445 0.830 10 0 FCAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C[C@H]1COCCN1C ZINC000599453598 492174507 /nfs/dbraw/zinc/17/45/07/492174507.db2.gz UZPNNOKTLUXQSE-VHSXEESVSA-N -1 3 362.370 0.121 10 0 FCAEHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]C[C@@H]2COCCN2C)s1 ZINC000599454144 492174942 /nfs/dbraw/zinc/17/49/42/492174942.db2.gz IMLZUGXRDDOLGV-SECBINFHSA-N -1 3 364.445 0.152 10 0 FCAEHM COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)[N-][C@@H]1CCO[C@@H]1c1nc(C)no1 ZINC000599515914 492182837 /nfs/dbraw/zinc/18/28/37/492182837.db2.gz YKZXPSLYYQRSNJ-RNJOBUHISA-N -1 3 373.431 0.859 10 0 FCAEHM C[C@@]1(c2ccc(C(=O)N3CC[C@H](O)C(F)(F)C3)cc2)NC(=O)[N-]C1=O ZINC000617810641 492193217 /nfs/dbraw/zinc/19/32/17/492193217.db2.gz LXJZIQILEKXYDI-NHYWBVRUSA-N -1 3 353.325 0.583 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC[C@H](O)C(F)(F)C1 ZINC000617816161 492193451 /nfs/dbraw/zinc/19/34/51/492193451.db2.gz NWHGYZVWXAPEKZ-BDAKNGLRSA-N -1 3 354.400 0.643 10 0 FCAEHM CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000617887964 492202164 /nfs/dbraw/zinc/20/21/64/492202164.db2.gz JILKFQXNSQRUIA-NEPJUHHUSA-N -1 3 355.412 0.648 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CC3(CCC3)OC[C@H]2C)cn1C ZINC000617947902 492207388 /nfs/dbraw/zinc/20/73/88/492207388.db2.gz MBVYCWBJPHDXKF-LLVKDONJSA-N -1 3 356.448 0.177 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCCO[C@@H]1CC1(F)F ZINC000618123450 492211158 /nfs/dbraw/zinc/21/11/58/492211158.db2.gz JMFXVDRMDGLMRW-SSDOTTSWSA-N -1 3 368.134 0.252 10 0 FCAEHM C[C@@]1(c2ccc(C(=O)NCCO[C@@H]3CC3(F)F)cc2)NC(=O)[N-]C1=O ZINC000618130307 492211299 /nfs/dbraw/zinc/21/12/99/492211299.db2.gz KJARPYUQZUNKIC-ABAIWWIYSA-N -1 3 353.325 0.895 10 0 FCAEHM C[C@]1(c2ccc(C(=O)NCCO[C@@H]3CC3(F)F)cc2)NC(=O)[N-]C1=O ZINC000618130308 492211502 /nfs/dbraw/zinc/21/15/02/492211502.db2.gz KJARPYUQZUNKIC-IAQYHMDHSA-N -1 3 353.325 0.895 10 0 FCAEHM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N(C)CC1CN(C)C1 ZINC000618196037 492215149 /nfs/dbraw/zinc/21/51/49/492215149.db2.gz GFSBJOUMFJZJNY-UHFFFAOYSA-N -1 3 363.462 0.280 10 0 FCAEHM C[C@@H]1CCC[C@@H](CNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)O1 ZINC000618571289 492231802 /nfs/dbraw/zinc/23/18/02/492231802.db2.gz ZACXLYJBUIFIFJ-BDAKNGLRSA-N -1 3 360.208 0.785 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccc(F)c(F)c1)NC[C@@H]1CCC(=O)N1 ZINC000619144132 492251637 /nfs/dbraw/zinc/25/16/37/492251637.db2.gz FDBCABQMABSERF-VIFPVBQESA-N -1 3 361.370 0.028 10 0 FCAEHM Cc1cncc(CCNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)n1 ZINC000619208926 492253009 /nfs/dbraw/zinc/25/30/09/492253009.db2.gz DJEAQVGRLPBKMZ-UHFFFAOYSA-N -1 3 368.191 0.169 10 0 FCAEHM COC(=O)[C@]1([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2F)CCOC1 ZINC000610679902 492258274 /nfs/dbraw/zinc/25/82/74/492258274.db2.gz WAOJRFBYDRGITR-AWEZNQCLSA-N -1 3 360.363 0.395 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)NCC1CCC(O)CC1 ZINC000619415722 492262103 /nfs/dbraw/zinc/26/21/03/492262103.db2.gz CUQGQZZCXCXXSI-UHFFFAOYSA-N -1 3 357.410 0.925 10 0 FCAEHM COC(=O)[C@@H]1CN(C(=O)CCNC(=O)c2ccc(C)cc2[O-])C[C@@H](C)O1 ZINC000600374214 492265027 /nfs/dbraw/zinc/26/50/27/492265027.db2.gz NICMQPOCZBMNMQ-DOMZBBRYSA-N -1 3 364.398 0.609 10 0 FCAEHM COC(=O)CCNC(=O)CCNC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000600492712 492275157 /nfs/dbraw/zinc/27/51/57/492275157.db2.gz IHBUSRBJCOBLDA-UHFFFAOYSA-N -1 3 354.359 0.209 10 0 FCAEHM COC[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000611023508 492275516 /nfs/dbraw/zinc/27/55/16/492275516.db2.gz CCETUAJTECIYEG-ZDUSSCGKSA-N -1 3 351.808 0.802 10 0 FCAEHM CCN1CC[C@@H]([N-]S(=O)(=O)c2sc(C(=O)OC)cc2OC)C1=O ZINC000619797682 492278577 /nfs/dbraw/zinc/27/85/77/492278577.db2.gz JSFIZLZPQHKUBN-MRVPVSSYSA-N -1 3 362.429 0.442 10 0 FCAEHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]CCc1nnnn1C ZINC000611314298 492285394 /nfs/dbraw/zinc/28/53/94/492285394.db2.gz MBMBWMMRTOMRLU-UHFFFAOYSA-N -1 3 359.795 0.171 10 0 FCAEHM CCS(=O)(=O)C1(CNC(=O)c2ccc([N-]S(C)(=O)=O)cc2)CC1 ZINC000620046377 492286546 /nfs/dbraw/zinc/28/65/46/492286546.db2.gz AMOBYTVZVPSWEA-UHFFFAOYSA-N -1 3 360.457 0.755 10 0 FCAEHM COC(=O)C1([N-]S(=O)(=O)C2CN(C(=O)c3ccccc3)C2)CCCC1 ZINC000611532738 492289700 /nfs/dbraw/zinc/28/97/00/492289700.db2.gz KVWQGSNPDYNWSP-UHFFFAOYSA-N -1 3 366.439 0.916 10 0 FCAEHM COCC[C@H](COC)NC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000641779066 492304028 /nfs/dbraw/zinc/30/40/28/492304028.db2.gz ZRMHMTRBBPCQEL-OAHLLOKOSA-N -1 3 365.430 0.911 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)c1 ZINC000620536401 492317414 /nfs/dbraw/zinc/31/74/14/492317414.db2.gz IENJLLFCCAJXEL-UHOFOFEASA-N -1 3 364.402 0.292 10 0 FCAEHM CO[C@@H]1CN(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)[C@](C)(CO)C1 ZINC000634067098 492318707 /nfs/dbraw/zinc/31/87/07/492318707.db2.gz MGAJPJHWRPAWGJ-NHYWBVRUSA-N -1 3 360.407 0.809 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CCO[C@H](C(F)F)CC1 ZINC000634154817 492322674 /nfs/dbraw/zinc/32/26/74/492322674.db2.gz CAYJYDUPIFIYFO-VIFPVBQESA-N -1 3 354.400 0.909 10 0 FCAEHM C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647581980 492323791 /nfs/dbraw/zinc/32/37/91/492323791.db2.gz WLFUTDKRVZMGBG-NIFZNCRKSA-N -1 3 353.463 0.839 10 0 FCAEHM NC(=O)CC1(CNC(=O)C[N-]S(=O)(=O)c2cccs2)CCCCC1 ZINC000620698345 492324326 /nfs/dbraw/zinc/32/43/26/492324326.db2.gz ANIGPSSAMOYEQD-UHFFFAOYSA-N -1 3 373.500 0.969 10 0 FCAEHM C[C@@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000647606859 492334031 /nfs/dbraw/zinc/33/40/31/492334031.db2.gz QOVMPSSXOHOBAG-SNVBAGLBSA-N -1 3 373.406 0.264 10 0 FCAEHM C[C@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000647606759 492334287 /nfs/dbraw/zinc/33/42/87/492334287.db2.gz MANNUXNXOQTZLH-VIFPVBQESA-N -1 3 361.445 0.187 10 0 FCAEHM C[C@@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000647606758 492334305 /nfs/dbraw/zinc/33/43/05/492334305.db2.gz MANNUXNXOQTZLH-SECBINFHSA-N -1 3 361.445 0.187 10 0 FCAEHM C[C@]1(c2ccc(C(=O)N3CC[C@H](N4CCC4)[C@H](F)C3)cc2)NC(=O)[N-]C1=O ZINC000647628061 492338910 /nfs/dbraw/zinc/33/89/10/492338910.db2.gz FJDZWBCLTTXLJK-ZRGWGRIASA-N -1 3 374.416 1.000 10 0 FCAEHM O=C(N[C@H](Cc1ccccc1)c1ncco1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000654753069 492346715 /nfs/dbraw/zinc/34/67/15/492346715.db2.gz WYLGHPNCXOCSRQ-KGLIPLIRSA-N -1 3 369.381 0.904 10 0 FCAEHM C[C@]1(C(F)F)CN(C(=O)C[N-]S(=O)(=O)c2ccccc2F)CCO1 ZINC000621200027 492361140 /nfs/dbraw/zinc/36/11/40/492361140.db2.gz IMABBWLQTBOUSD-CQSZACIVSA-N -1 3 366.361 0.987 10 0 FCAEHM Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)[N-]c1nc2n(n1)CCCC2 ZINC000627700586 492363899 /nfs/dbraw/zinc/36/38/99/492363899.db2.gz OVUXTDNUHGILPZ-UHFFFAOYSA-N -1 3 353.379 0.962 10 0 FCAEHM CN(Cc1cc(=O)n2nc(N)[n-]c2n1)c1ccc(C(=O)NC(C)(C)C)cc1 ZINC000621301397 492371522 /nfs/dbraw/zinc/37/15/22/492371522.db2.gz XXFGYSSGXJVQHG-UHFFFAOYSA-N -1 3 369.429 0.995 10 0 FCAEHM CCn1nnc(C)c1CNC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000627871454 492408885 /nfs/dbraw/zinc/40/88/85/492408885.db2.gz NZRPHKGRNXUTMI-KRWDZBQOSA-N -1 3 356.386 0.591 10 0 FCAEHM COCCn1cc(C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)ccc1=O ZINC000643043035 492415245 /nfs/dbraw/zinc/41/52/45/492415245.db2.gz KIWPWTWXHYQBIZ-UHFFFAOYSA-N -1 3 372.381 0.643 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)N1CCN(CCCF)CC1 ZINC000627956827 492426369 /nfs/dbraw/zinc/42/63/69/492426369.db2.gz YYRBTKGNMRZABO-UHFFFAOYSA-N -1 3 374.416 0.762 10 0 FCAEHM Cn1nnnc1CC[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000643211387 492431496 /nfs/dbraw/zinc/43/14/96/492431496.db2.gz YRFCYQUFDFWKQU-UHFFFAOYSA-N -1 3 351.310 0.472 10 0 FCAEHM Cc1noc(CN(C)C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)n1 ZINC000655354757 492437924 /nfs/dbraw/zinc/43/79/24/492437924.db2.gz OEAYMKXWCLLULF-VIFPVBQESA-N -1 3 356.379 0.843 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCC(=O)NC1CCCC1 ZINC000622011422 492439870 /nfs/dbraw/zinc/43/98/70/492439870.db2.gz DDNAJHVFKVRHEK-NSHDSACASA-N -1 3 371.434 0.668 10 0 FCAEHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@H]2CCN(C)S2(=O)=O)c1 ZINC000648796688 492458384 /nfs/dbraw/zinc/45/83/84/492458384.db2.gz MWZVDQMCCUHMTB-GFCCVEGCSA-N -1 3 361.445 0.339 10 0 FCAEHM CO[C@@H](C)CS(=O)(=O)[N-]c1ccc([C@@]2(C)NC(=O)N(C)C2=O)cc1 ZINC000655586654 492460028 /nfs/dbraw/zinc/46/00/28/492460028.db2.gz BMVKLAWDQJGHQL-ZUZCIYMTSA-N -1 3 355.416 0.860 10 0 FCAEHM CO[C@@](C)(CO)C[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000655622924 492465439 /nfs/dbraw/zinc/46/54/39/492465439.db2.gz XHKHQXMHVRLXJY-CQSZACIVSA-N -1 3 362.835 0.900 10 0 FCAEHM COCCOc1ccc(F)cc1S(=O)(=O)[N-]C[C@](C)(CO)OC ZINC000655623523 492466237 /nfs/dbraw/zinc/46/62/37/492466237.db2.gz TZVKZFXFGWPRMT-CQSZACIVSA-N -1 3 351.396 0.527 10 0 FCAEHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-][C@H]3CCc4c(nnn4C)C3)cn21 ZINC000655649032 492471686 /nfs/dbraw/zinc/47/16/86/492471686.db2.gz VPHMOCGMVCYCKE-MNOVXSKESA-N -1 3 350.448 0.745 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)Nc1ccc(=O)n(CCO)c1 ZINC000649118804 492502368 /nfs/dbraw/zinc/50/23/68/492502368.db2.gz PUGHOXCRLHXMDD-UHFFFAOYSA-N -1 3 371.440 0.209 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc(=O)n(CCO)c1 ZINC000649118447 492502415 /nfs/dbraw/zinc/50/24/15/492502415.db2.gz XQVRNBJTIZPTMV-UHFFFAOYSA-N -1 3 369.381 0.958 10 0 FCAEHM CNC(=O)NC[C@H]1CN(C(=O)c2cc([O-])cc(Br)c2)CCO1 ZINC000628549991 492509382 /nfs/dbraw/zinc/50/93/82/492509382.db2.gz LXWFJUWESLNDJD-LBPRGKRZSA-N -1 3 372.219 0.925 10 0 FCAEHM CCN1CCC[C@H]1CNC(=O)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656012721 492516678 /nfs/dbraw/zinc/51/66/78/492516678.db2.gz HKYBZHAALGSHML-ZOBORPQBSA-N -1 3 353.463 0.839 10 0 FCAEHM COc1cc2[n-]cc(C(=O)NC[C@H](O)[C@H]3CCCO3)c(=O)c2c(OC)c1 ZINC000628600970 492529198 /nfs/dbraw/zinc/52/91/98/492529198.db2.gz HUBRVNAYWPSNRI-UONOGXRCSA-N -1 3 362.382 0.815 10 0 FCAEHM COc1cc2ncc(C(=O)NC[C@H](O)[C@H]3CCCO3)c([O-])c2c(OC)c1 ZINC000628600970 492529199 /nfs/dbraw/zinc/52/91/99/492529199.db2.gz HUBRVNAYWPSNRI-UONOGXRCSA-N -1 3 362.382 0.815 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N[C@]23C[C@H]2COC3(C)C)cn1C ZINC000628603581 492530040 /nfs/dbraw/zinc/53/00/40/492530040.db2.gz MGHNFKODVHMZRF-XHDPSFHLSA-N -1 3 356.448 0.081 10 0 FCAEHM CN1Cc2ccccc2[C@@H]([N-]S(=O)(=O)CCCS(C)(=O)=O)C1=O ZINC000623237562 492531651 /nfs/dbraw/zinc/53/16/51/492531651.db2.gz CIWRNRQKRAVIPO-CYBMUJFWSA-N -1 3 360.457 0.054 10 0 FCAEHM COc1cccc(C(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)c1[O-] ZINC000628732277 492540573 /nfs/dbraw/zinc/54/05/73/492540573.db2.gz NKBLVGKGCOMVPB-LLVKDONJSA-N -1 3 354.370 0.847 10 0 FCAEHM Nc1ncc2c(n1)CN(C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])CC2 ZINC000623327028 492544519 /nfs/dbraw/zinc/54/45/19/492544519.db2.gz NZUJNMSAOUKFOH-HNNXBMFYSA-N -1 3 367.409 0.954 10 0 FCAEHM CCC(F)(F)C(C)(C)CNC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000628881900 492559046 /nfs/dbraw/zinc/55/90/46/492559046.db2.gz SICIRYKDGMGJSH-UHFFFAOYSA-N -1 3 352.407 0.886 10 0 FCAEHM CCOC[C@@H]1CN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)CCO1 ZINC000628902833 492559948 /nfs/dbraw/zinc/55/99/48/492559948.db2.gz FTJQCVFUZUSLTH-STQMWFEESA-N -1 3 374.434 0.756 10 0 FCAEHM NS(=O)(=O)NC1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000629187958 492588725 /nfs/dbraw/zinc/58/87/25/492588725.db2.gz LNNPRUGZBMSJPR-UHFFFAOYSA-N -1 3 367.349 0.809 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1C(F)(F)F)NCC1COC1 ZINC000629199520 492590511 /nfs/dbraw/zinc/59/05/11/492590511.db2.gz HBAGLODYKWSXEO-UHFFFAOYSA-N -1 3 352.334 0.746 10 0 FCAEHM CN(C)S(=O)(=O)N1CC(NCc2cc([O-])ccc2Br)C1 ZINC000623793605 492596363 /nfs/dbraw/zinc/59/63/63/492596363.db2.gz MHBBQYSOGCPYAE-UHFFFAOYSA-N -1 3 364.265 0.735 10 0 FCAEHM Cc1cncc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(F)C2)c1 ZINC000656375402 492616131 /nfs/dbraw/zinc/61/61/31/492616131.db2.gz KHEGURUBPNCPIT-UHFFFAOYSA-N -1 3 365.452 0.895 10 0 FCAEHM CC1(F)CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cccnc2)C1 ZINC000656375556 492616345 /nfs/dbraw/zinc/61/63/45/492616345.db2.gz ZCOUUMUKFSQRLO-UHFFFAOYSA-N -1 3 351.425 0.587 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000629384711 492618578 /nfs/dbraw/zinc/61/85/78/492618578.db2.gz AOQWFWRJBGNXBI-UHFFFAOYSA-N -1 3 355.398 0.364 10 0 FCAEHM COC(C)(C)CS(=O)(=O)[N-]c1ccc2c(c1)N(S(N)(=O)=O)CC2 ZINC000650165808 492619154 /nfs/dbraw/zinc/61/91/54/492619154.db2.gz YTRRWPLWYFUHGV-UHFFFAOYSA-N -1 3 363.461 0.419 10 0 FCAEHM COC1(CS(=O)(=O)[N-]c2ccc3c(c2)N(C)C(=O)CO3)CCOCC1 ZINC000650184442 492620259 /nfs/dbraw/zinc/62/02/59/492620259.db2.gz KFOCFIVJZJZDHN-UHFFFAOYSA-N -1 3 370.427 0.979 10 0 FCAEHM COC1(CS(=O)(=O)[N-]c2cccc(O[C@@H]3CC(=O)N3)c2)CCOCC1 ZINC000650206094 492622500 /nfs/dbraw/zinc/62/25/00/492622500.db2.gz JSGKYXPIHZNKQN-OAHLLOKOSA-N -1 3 370.427 0.849 10 0 FCAEHM C[C@@]1(c2ccc(NC(=O)c3cn4c(n3)COCC4)cc2)NC(=O)[N-]C1=O ZINC000624151921 492623307 /nfs/dbraw/zinc/62/33/07/492623307.db2.gz FNGKCLRQJXSTKC-KRWDZBQOSA-N -1 3 355.354 0.720 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]Cc1nnnn1-c1ccccc1)[C@H]1CCOC1 ZINC000656896110 492662607 /nfs/dbraw/zinc/66/26/07/492662607.db2.gz GELVCBWIRDCLBQ-GXTWGEPZSA-N -1 3 367.431 0.133 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2c(C(=O)N3CC[C@@H]4CC[C@@H](O)[C@@H]43)cc(C3CC3)nc21 ZINC000629761718 492665278 /nfs/dbraw/zinc/66/52/78/492665278.db2.gz FNDGEYHSBKSNAH-PSOPSSQASA-N -1 3 370.409 0.897 10 0 FCAEHM CNC(=O)[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000656959535 492679556 /nfs/dbraw/zinc/67/95/56/492679556.db2.gz BQIFSVXPMWKUHE-VIFPVBQESA-N -1 3 371.640 0.488 10 0 FCAEHM CCN(CCO)CC[N-]S(=O)(=O)c1ncccc1Br ZINC000656961171 492679797 /nfs/dbraw/zinc/67/97/97/492679797.db2.gz HTYDREPFNQISKO-UHFFFAOYSA-N -1 3 352.254 0.437 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@H](C(N)=O)c1ccc(F)cc1)[C@H]1CCOC1 ZINC000656963422 492680325 /nfs/dbraw/zinc/68/03/25/492680325.db2.gz OBBIEOIFSKNVSR-YUTCNCBUSA-N -1 3 360.407 0.323 10 0 FCAEHM COCCOCCS(=O)(=O)[N-]C1(c2noc(C(F)F)n2)CCC1 ZINC000644289614 492692309 /nfs/dbraw/zinc/69/23/09/492692309.db2.gz HIYMKJFLWMGUBL-UHFFFAOYSA-N -1 3 355.363 0.969 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@@H](C)C(=O)Nc1cccnc1C)[C@H]1CCOC1 ZINC000657009991 492693060 /nfs/dbraw/zinc/69/30/60/492693060.db2.gz MHPXRBUSQLGOAV-KCQAQPDRSA-N -1 3 371.459 0.688 10 0 FCAEHM CO[C@](C)(CO)C[N-]S(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2 ZINC000657024693 492697890 /nfs/dbraw/zinc/69/78/90/492697890.db2.gz ZWRJMUXIUZNPLF-AWEZNQCLSA-N -1 3 362.473 0.328 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCN(C3CCC3)C2=O)c(C)o1 ZINC000629923446 492705604 /nfs/dbraw/zinc/70/56/04/492705604.db2.gz CDYCDCKATOCBHK-LBPRGKRZSA-N -1 3 355.416 0.379 10 0 FCAEHM COC[C@H]([N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F)C1CCOCC1 ZINC000657060673 492706558 /nfs/dbraw/zinc/70/65/58/492706558.db2.gz NYIYSORTROTZEZ-LBPRGKRZSA-N -1 3 374.390 0.980 10 0 FCAEHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)c2ncnn21 ZINC000657065007 492707354 /nfs/dbraw/zinc/70/73/54/492707354.db2.gz XDXDPOYXEZFABU-SKDRFNHKSA-N -1 3 356.429 0.666 10 0 FCAEHM CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1C[C@@H](C)n2ncnc21 ZINC000657068620 492708358 /nfs/dbraw/zinc/70/83/58/492708358.db2.gz QNGBQUKQFNHLQJ-NXEZZACHSA-N -1 3 371.444 0.171 10 0 FCAEHM Cn1ccc(N2CCC[C@@H]([N-]S(=O)(=O)[C@@H]3COC(C)(C)C3)C2=O)n1 ZINC000625025301 492711800 /nfs/dbraw/zinc/71/18/00/492711800.db2.gz VJQJNAXYCMTOQA-NWDGAFQWSA-N -1 3 356.448 0.402 10 0 FCAEHM Cc1cc(F)c(S(=O)(=O)[N-]C[C@@]2(OCCO)CCOC2)cc1F ZINC000657085886 492712076 /nfs/dbraw/zinc/71/20/76/492712076.db2.gz JDXZJCJADHKVEC-AWEZNQCLSA-N -1 3 351.371 0.720 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@@]23NC(=O)NC3=O)c(F)c1F ZINC000625034766 492713842 /nfs/dbraw/zinc/71/38/42/492713842.db2.gz PSXPNCHNXCYYEI-RFAUZJTJSA-N -1 3 373.381 0.930 10 0 FCAEHM CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-][C@@H]1CCCN(C)C1=O ZINC000625045520 492715416 /nfs/dbraw/zinc/71/54/16/492715416.db2.gz VRNJTDUTSJKANC-HUUCEWRRSA-N -1 3 358.435 0.923 10 0 FCAEHM CCO[C@@H](CS(=O)(=O)[N-][C@@H]1CCN(C2CCOCC2)C1=O)C1CC1 ZINC000625045723 492715426 /nfs/dbraw/zinc/71/54/26/492715426.db2.gz ZIWFPKUPGIZZTH-CABCVRRESA-N -1 3 360.476 0.501 10 0 FCAEHM Cc1cccc2c(=O)c(C(=O)NC3CN(S(=O)(=O)N(C)C)C3)c[n-]c12 ZINC000630027929 492719525 /nfs/dbraw/zinc/71/95/25/492719525.db2.gz JUHPYDDKNXLUBF-UHFFFAOYSA-N -1 3 364.427 0.057 10 0 FCAEHM O=S(=O)([N-]C[C@]1(CCO)CCOC1)c1cnnn1-c1ccccc1 ZINC000625088962 492722829 /nfs/dbraw/zinc/72/28/29/492722829.db2.gz BKMFNTOYNIXJLX-HNNXBMFYSA-N -1 3 352.416 0.335 10 0 FCAEHM COCc1nc(C[N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)n[nH]1 ZINC000657105004 492722949 /nfs/dbraw/zinc/72/29/49/492722949.db2.gz WRVKJLRYALPNQW-UHFFFAOYSA-N -1 3 374.444 0.142 10 0 FCAEHM CCO[C@@H]1COCC[C@H]1[N-]S(=O)(=O)CC1(OCC)CCOCC1 ZINC000625122314 492727215 /nfs/dbraw/zinc/72/72/15/492727215.db2.gz WQQKSYHVBJYKKH-ZIAGYGMSSA-N -1 3 351.465 0.686 10 0 FCAEHM CCOC1CC(O)(C[N-]S(=O)(=O)CC2(OCC)CCOCC2)C1 ZINC000625153681 492731161 /nfs/dbraw/zinc/73/11/61/492731161.db2.gz CWNZUBKQYLAHLC-UHFFFAOYSA-N -1 3 351.465 0.422 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]CC(=O)NCC(F)F)c1ccc(F)cc1 ZINC000625176266 492734371 /nfs/dbraw/zinc/73/43/71/492734371.db2.gz HJAFJNJBXBYSEG-NSHDSACASA-N -1 3 354.350 0.814 10 0 FCAEHM COc1ccnc(C[N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)c1F ZINC000657158626 492734569 /nfs/dbraw/zinc/73/45/69/492734569.db2.gz DVODDWIFNRHRNS-JTQLQIEISA-N -1 3 356.379 0.866 10 0 FCAEHM Cc1nc(C)c(CNS(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)o1 ZINC000625235866 492743045 /nfs/dbraw/zinc/74/30/45/492743045.db2.gz JABBXHLDGQMIGO-UHFFFAOYSA-N -1 3 365.371 0.117 10 0 FCAEHM COC[C@@](C)(O)CC[N-]S(=O)(=O)c1cccnc1OCC(F)F ZINC000625235409 492743621 /nfs/dbraw/zinc/74/36/21/492743621.db2.gz JVRKFFQOSIIADU-ZDUSSCGKSA-N -1 3 354.375 0.791 10 0 FCAEHM CO[C@H]1CS(=O)(=O)C[C@@H]1[N-]S(=O)(=O)c1ccc(C)c(F)c1F ZINC000625278012 492750682 /nfs/dbraw/zinc/75/06/82/492750682.db2.gz KDPNXQCYMWTJJF-IUCAKERBSA-N -1 3 355.384 0.364 10 0 FCAEHM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cnnn2-c2ccccc2)CS1(=O)=O ZINC000625284175 492751118 /nfs/dbraw/zinc/75/11/18/492751118.db2.gz UJLYCHFPHZPGDP-NEPJUHHUSA-N -1 3 370.456 0.511 10 0 FCAEHM CS(=O)(=O)CCCS(=O)(=O)[N-]C[C@@H](n1cccn1)C(F)(F)F ZINC000625330736 492756738 /nfs/dbraw/zinc/75/67/38/492756738.db2.gz QZCVOCVTABNSLE-SECBINFHSA-N -1 3 363.383 0.341 10 0 FCAEHM CN1C2(CCC2)COC[C@]1(CO)C[N-]S(=O)(=O)CCC(F)(F)F ZINC000625377335 492768513 /nfs/dbraw/zinc/76/85/13/492768513.db2.gz YXDWNDBQBRWKDY-GFCCVEGCSA-N -1 3 360.398 0.474 10 0 FCAEHM C[C@@]1(c2cccc(NC(=O)C3(N4CCOCC4)CC3)c2)NC(=O)[N-]C1=O ZINC000630745728 492772201 /nfs/dbraw/zinc/77/22/01/492772201.db2.gz QFABCJIEVZARLI-KRWDZBQOSA-N -1 3 358.398 0.545 10 0 FCAEHM CC(C)n1cnc(=NC(=O)C(=O)NCC(C)(C)N2CCC[C@@H](C)C2)[n-]1 ZINC000651533343 492776004 /nfs/dbraw/zinc/77/60/04/492776004.db2.gz WAXJXNWCRHWSMH-CYBMUJFWSA-N -1 3 350.467 0.846 10 0 FCAEHM COC1(CS(=O)(=O)[N-][C@@H](C)C(=O)N2CCCC[C@H]2C)CCOCC1 ZINC000651545357 492778022 /nfs/dbraw/zinc/77/80/22/492778022.db2.gz DSIYXIVCDSTSCG-KGLIPLIRSA-N -1 3 362.492 0.891 10 0 FCAEHM O=S(=O)([N-][C@H]1CCN(c2ccc3nncn3n2)C1)c1cscn1 ZINC000625420622 492778467 /nfs/dbraw/zinc/77/84/67/492778467.db2.gz HEVJBPAQPJUBSX-VIFPVBQESA-N -1 3 351.417 0.138 10 0 FCAEHM COC1(CS(=O)(=O)[N-][C@H]2CCN(CC(F)(F)F)C2=O)CCOCC1 ZINC000651557012 492780785 /nfs/dbraw/zinc/78/07/85/492780785.db2.gz LPVXTNVICSMXQR-JTQLQIEISA-N -1 3 374.381 0.265 10 0 FCAEHM COC1(CS(=O)(=O)[N-]Cc2nnnn2-c2ccccc2)CCOCC1 ZINC000651553530 492781054 /nfs/dbraw/zinc/78/10/54/492781054.db2.gz VSGKHCWLBPWYNG-UHFFFAOYSA-N -1 3 367.431 0.277 10 0 FCAEHM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2C[C@H](C(N)=O)C2)c1 ZINC000625427721 492781765 /nfs/dbraw/zinc/78/17/65/492781765.db2.gz LTOFFHREWSQWKY-ZKCHVHJHSA-N -1 3 363.233 1.000 10 0 FCAEHM COC1(CS(=O)(=O)[N-]C[C@@H](O)COc2cccc(C)c2)CCOCC1 ZINC000651569853 492784184 /nfs/dbraw/zinc/78/41/84/492784184.db2.gz OWRVDHOSJHBSAZ-OAHLLOKOSA-N -1 3 373.471 0.850 10 0 FCAEHM COC1(CS(=O)(=O)[N-][C@H](C(N)=O)[C@@H](C)c2ccccc2)CCOCC1 ZINC000651713851 492811736 /nfs/dbraw/zinc/81/17/36/492811736.db2.gz GXHCZDQSZGINQC-ZFWWWQNUSA-N -1 3 370.471 0.759 10 0 FCAEHM C/C=C\CNS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000625559579 492820934 /nfs/dbraw/zinc/82/09/34/492820934.db2.gz ANCFYGLFZIOHEW-FOSCPCJNSA-N -1 3 353.400 0.604 10 0 FCAEHM Cc1cnc(C)c(NC(=O)C(=O)N2CCC[C@@H]2C[C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000651791107 492823934 /nfs/dbraw/zinc/82/39/34/492823934.db2.gz YFMRALKGIYSPQB-KZULUSFZSA-N -1 3 373.413 0.616 10 0 FCAEHM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1CO[C@H](C2CC2)C1 ZINC000625576491 492825561 /nfs/dbraw/zinc/82/55/61/492825561.db2.gz HUUYYJZHZYIMHZ-STQMWFEESA-N -1 3 374.484 0.783 10 0 FCAEHM O=C1C[C@H](S(=O)(=O)[N-]C[C@H]2COc3ccccc3O2)CN1C1CC1 ZINC000631653657 492829309 /nfs/dbraw/zinc/82/93/09/492829309.db2.gz YKAFXBPWYOXOSK-STQMWFEESA-N -1 3 352.412 0.509 10 0 FCAEHM CCN1C[C@H](S(=O)(=O)[N-]CC(=O)Nc2c(C)cccc2C)CC1=O ZINC000631655289 492830140 /nfs/dbraw/zinc/83/01/40/492830140.db2.gz BYUKLSHZMLBJPH-CYBMUJFWSA-N -1 3 353.444 0.782 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-][C@]1(C)CCS(=O)(=O)C1 ZINC000631655856 492830266 /nfs/dbraw/zinc/83/02/66/492830266.db2.gz JRYKAGBQBFLIGF-SECBINFHSA-N -1 3 361.367 0.294 10 0 FCAEHM CCN1C[C@@H](C[N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)CC1=O ZINC000651857944 492836852 /nfs/dbraw/zinc/83/68/52/492836852.db2.gz UNFIOTGJKXLVAU-LLVKDONJSA-N -1 3 360.457 0.237 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@H](C)OCC12CCC2 ZINC000651879740 492839004 /nfs/dbraw/zinc/83/90/04/492839004.db2.gz DZNHCIFQPZUCRB-LBPRGKRZSA-N -1 3 374.484 0.927 10 0 FCAEHM CC1(C)C[C@@H](S(=O)(=O)[N-]CC(=O)Nc2ccc3c(c2)OCCO3)CO1 ZINC000625617070 492839879 /nfs/dbraw/zinc/83/98/79/492839879.db2.gz RDSGVHYDEXSOGZ-GFCCVEGCSA-N -1 3 370.427 0.883 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC[C@@]1(O)CCCOC1 ZINC000651914750 492846153 /nfs/dbraw/zinc/84/61/53/492846153.db2.gz IEWXIUUXDZFXBK-AWEZNQCLSA-N -1 3 363.457 0.300 10 0 FCAEHM CO[C@H](CNC(=O)C(=O)[N-]c1nccn1-c1ccccc1)[C@@H]1CCOC1 ZINC000658184381 492847556 /nfs/dbraw/zinc/84/75/56/492847556.db2.gz USSJLASYWNCHDN-UKRRQHHQSA-N -1 3 358.398 0.979 10 0 FCAEHM O=C(c1cccc(-n2cc[nH]c2=O)c1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000651931671 492850188 /nfs/dbraw/zinc/85/01/88/492850188.db2.gz ZBHYUVPERILRDA-KRWDZBQOSA-N -1 3 355.354 0.392 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)nc1=N ZINC000651979167 492857314 /nfs/dbraw/zinc/85/73/14/492857314.db2.gz ACBZMCCAIWEHQI-OCCSQVGLSA-N -1 3 369.429 0.335 10 0 FCAEHM CCN1C[C@H](S(=O)(=O)[N-][C@@H]2CCN(Cc3ccccc3)C2=O)CC1=O ZINC000631814003 492857473 /nfs/dbraw/zinc/85/74/73/492857473.db2.gz ZBZZTPJYFZZOAU-HUUCEWRRSA-N -1 3 365.455 0.328 10 0 FCAEHM CN1CCO[C@H](CS(=O)(=O)[N-][C@@H]2CCN(Cc3ccccc3)C2=O)C1 ZINC000631813565 492857949 /nfs/dbraw/zinc/85/79/49/492857949.db2.gz QIQSUBOQUNADMT-JKSUJKDBSA-N -1 3 367.471 0.038 10 0 FCAEHM O=c1[nH]c2cc(F)c(S(=O)(=O)[N-][C@H]3CCN(C4CCC4)C3=O)cc2o1 ZINC000625693922 492863676 /nfs/dbraw/zinc/86/36/76/492863676.db2.gz ZRXSIDANZQYQBO-JTQLQIEISA-N -1 3 369.374 0.692 10 0 FCAEHM O=C([N-]c1nccn1-c1ccccc1)C(=O)NC[C@@]1(OCCO)CCOC1 ZINC000658425316 492883758 /nfs/dbraw/zinc/88/37/58/492883758.db2.gz RWYBXLOPRDAQBG-SFHVURJKSA-N -1 3 374.397 0.095 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1)C(=O)Nc1ccccc1 ZINC000631948051 492896228 /nfs/dbraw/zinc/89/62/28/492896228.db2.gz VDJRQNOTLCGVIQ-BXUZGUMPSA-N -1 3 351.428 0.696 10 0 FCAEHM CN1CCO[C@H](CS(=O)(=O)[N-][C@@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000631969971 492901316 /nfs/dbraw/zinc/90/13/16/492901316.db2.gz PAKULFLVGNOECZ-JKSUJKDBSA-N -1 3 367.471 0.432 10 0 FCAEHM CN1CCO[C@H](CS(=O)(=O)[N-][C@@H](CO)c2cc(F)ccc2F)C1 ZINC000632004281 492907889 /nfs/dbraw/zinc/90/78/89/492907889.db2.gz FEMCNZBYLNKQPJ-FZMZJTMJSA-N -1 3 350.387 0.248 10 0 FCAEHM C[C@@H](C[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C)N1CCN(C)CC1 ZINC000632020854 492912844 /nfs/dbraw/zinc/91/28/44/492912844.db2.gz RHZZXYZYCNXRGA-JTQLQIEISA-N -1 3 369.413 0.353 10 0 FCAEHM CNC(=O)C1CCC([N-]S(=O)(=O)c2coc(C(=O)N(C)C)c2C)CC1 ZINC000645497498 492915079 /nfs/dbraw/zinc/91/50/79/492915079.db2.gz ZBUANLZHLBOBOK-UHFFFAOYSA-N -1 3 371.459 0.873 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@@](C)(C(N)=O)c1ccccc1)C1CCOCC1 ZINC000645506471 492916460 /nfs/dbraw/zinc/91/64/60/492916460.db2.gz PPPIHLSZIGNDTE-NVXWUHKLSA-N -1 3 370.471 0.748 10 0 FCAEHM C[C@@H]1C[C@H]([N-]S(=O)(=O)C[C@H]2CCC2(F)F)C(=O)N1c1cnn(C)c1 ZINC000632048537 492920205 /nfs/dbraw/zinc/92/02/05/492920205.db2.gz NEOGYMNHTSSQSJ-FOGDFJRCSA-N -1 3 362.402 0.879 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CCOC[C@H]2CCCO2)coc1C(=O)N(C)C ZINC000645540369 492922915 /nfs/dbraw/zinc/92/29/15/492922915.db2.gz LQQYZVFRFIGFOT-GFCCVEGCSA-N -1 3 360.432 0.764 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]C[C@H](C)CN2CCOCC2)coc1C(=O)N(C)C ZINC000645553220 492924896 /nfs/dbraw/zinc/92/48/96/492924896.db2.gz UYKXUHQNGCYAKU-LBPRGKRZSA-N -1 3 373.475 0.536 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2C(N)=O)coc1C(=O)N(C)C ZINC000645585278 492932914 /nfs/dbraw/zinc/93/29/14/492932914.db2.gz WLYCWVJLSGWNQF-QWRGUYRKSA-N -1 3 357.432 0.612 10 0 FCAEHM CCN1C[C@H](S(=O)(=O)[N-][C@H]2CCCN(CC(F)(F)F)C2=O)CC1=O ZINC000632127748 492935460 /nfs/dbraw/zinc/93/54/60/492935460.db2.gz HMPSZCHIFXDSKC-ZJUUUORDSA-N -1 3 371.381 0.080 10 0 FCAEHM Cc1nn2cc(Br)cnc2c1S(=O)(=O)[N-][C@H]1CCOC1 ZINC000632135445 492937196 /nfs/dbraw/zinc/93/71/96/492937196.db2.gz DBIVYURJDJOZKN-VIFPVBQESA-N -1 3 361.221 0.867 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@H]2CCO[C@@]3(CCOC3)C2)coc1C(=O)N(C)C ZINC000645638249 492952487 /nfs/dbraw/zinc/95/24/87/492952487.db2.gz JIBWKAJFWJYURM-LRDDRELGSA-N -1 3 372.443 0.906 10 0 FCAEHM COCCO[C@@H]1COCC[C@H]1[N-]S(=O)(=O)CC1(OC)CCCC1 ZINC000632238059 492955981 /nfs/dbraw/zinc/95/59/81/492955981.db2.gz VHVPLVDZWHBWOI-ZIAGYGMSSA-N -1 3 351.465 0.686 10 0 FCAEHM C[C@@H]1CN(CC[N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)CCO1 ZINC000632254995 492958922 /nfs/dbraw/zinc/95/89/22/492958922.db2.gz GSFCTJUQSXGDOD-SECBINFHSA-N -1 3 356.370 0.438 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1nncn1C)C1CCN(CC(F)(F)F)CC1 ZINC000632280334 492964215 /nfs/dbraw/zinc/96/42/15/492964215.db2.gz ZAOSZCZKAVPNGX-VIFPVBQESA-N -1 3 355.386 0.756 10 0 FCAEHM C[C@]1(C[C@@H]2CCCN2S(=O)(=O)CCOCC2CCC2)NC(=O)[N-]C1=O ZINC000645713344 492965117 /nfs/dbraw/zinc/96/51/17/492965117.db2.gz KKHFIYUYLGNJKZ-XJKSGUPXSA-N -1 3 373.475 0.586 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]C[C@@H]2CCCCN2CCO)coc1C(=O)N(C)C ZINC000645741104 492968831 /nfs/dbraw/zinc/96/88/31/492968831.db2.gz ASDDLWMKRYNKBU-ZDUSSCGKSA-N -1 3 373.475 0.415 10 0 FCAEHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]CCCc2ncn(C)n2)s1 ZINC000645804936 492976779 /nfs/dbraw/zinc/97/67/79/492976779.db2.gz DXZIFDFZPNMAKL-UHFFFAOYSA-N -1 3 371.488 0.466 10 0 FCAEHM O=C(NC[C@H](O)[C@@H]1CCCO1)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1 ZINC000626471508 492982047 /nfs/dbraw/zinc/98/20/47/492982047.db2.gz HVZJAYYHQXVNSP-RDBSUJKOSA-N -1 3 362.386 0.099 10 0 FCAEHM COCCOC1(C[N-]S(=O)(=O)CC2(OC)CCC2)CCOCC1 ZINC000632389201 492988694 /nfs/dbraw/zinc/98/86/94/492988694.db2.gz NRKFMHYKOZWPDH-UHFFFAOYSA-N -1 3 351.465 0.687 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)N(C)[C@H]2C[C@@H](C(N)=O)C2)ccc1F ZINC000626559567 492993197 /nfs/dbraw/zinc/99/31/97/492993197.db2.gz HGSXCTNTJHOYLO-WAAGHKOSSA-N -1 3 358.395 0.461 10 0 FCAEHM CCN1C[C@@H](C[N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)CC1=O ZINC000632510381 493017523 /nfs/dbraw/zinc/01/75/23/493017523.db2.gz DNIYCBPJPGBULE-MRVPVSSYSA-N -1 3 354.354 0.586 10 0 FCAEHM C[C@H](O)[C@@H]([N-]S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1ccccc1F ZINC000632508541 493017530 /nfs/dbraw/zinc/01/75/30/493017530.db2.gz GYVDJRWZRZTYLT-KANYHAFZSA-N -1 3 356.419 0.930 10 0 FCAEHM CCN(C(=O)Cn1cc(Br)c(=O)[n-]c1=O)[C@H]1CCCOC1 ZINC000652816528 493024546 /nfs/dbraw/zinc/02/45/46/493024546.db2.gz DOUNAGSDYCKRSX-VIFPVBQESA-N -1 3 360.208 0.739 10 0 FCAEHM C[C@@H]1C[C@H]1c1noc(CC2CCN(C(=O)C[C@@H]3NC(=O)[N-]C3=O)CC2)n1 ZINC000652845848 493028420 /nfs/dbraw/zinc/02/84/20/493028420.db2.gz FCUMQMHLKABASG-JLLWLGSASA-N -1 3 361.402 0.572 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCc2[nH]cnc2C1 ZINC000646261407 493033312 /nfs/dbraw/zinc/03/33/12/493033312.db2.gz GNXBBUJXKLDEHW-JTQLQIEISA-N -1 3 352.391 0.801 10 0 FCAEHM O=C(C[N-]S(=O)(=O)C[C@H]1CCOC1)c1cncc(Br)c1 ZINC000632637707 493054496 /nfs/dbraw/zinc/05/44/96/493054496.db2.gz LKXHTOKGVWLUNA-VIFPVBQESA-N -1 3 363.233 0.983 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)c1cncc(Br)c1 ZINC000632637622 493055083 /nfs/dbraw/zinc/05/50/83/493055083.db2.gz IOVUVELQULQTDK-UHFFFAOYSA-N -1 3 351.222 0.983 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]C[C@@H](n1cncn1)C(F)(F)F)[C@@H]1CCOC1 ZINC000632643363 493056541 /nfs/dbraw/zinc/05/65/41/493056541.db2.gz KCHNWLLJAIFSEH-GMTAPVOTSA-N -1 3 372.369 0.352 10 0 FCAEHM CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2[C@@H](C)CC[C@H]2C(=O)[O-])CC1=O ZINC000653317683 493093787 /nfs/dbraw/zinc/09/37/87/493093787.db2.gz DHLYSKCFQKSWBR-YJNKXOJESA-N -1 3 351.447 0.783 10 0 FCAEHM O=C(CCc1nnn[n-]1)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000633571159 493166373 /nfs/dbraw/zinc/16/63/73/493166373.db2.gz QSIXVODRMMCLKE-CVEARBPZSA-N -1 3 356.430 0.634 10 0 FCAEHM O=C(CCc1nn[n-]n1)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000633571159 493166381 /nfs/dbraw/zinc/16/63/81/493166381.db2.gz QSIXVODRMMCLKE-CVEARBPZSA-N -1 3 356.430 0.634 10 0 FCAEHM CCN(Cc1cn(C)nn1)C(=O)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000681431071 493167247 /nfs/dbraw/zinc/16/72/47/493167247.db2.gz BMOWCDHCIVXMHS-AWEZNQCLSA-N -1 3 371.401 0.620 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]c2ccnn2CCN(C)C)coc1C(=O)N(C)C ZINC000647276736 493189483 /nfs/dbraw/zinc/18/94/83/493189483.db2.gz CEFIDZZTANSCOS-UHFFFAOYSA-N -1 3 369.447 0.849 10 0 FCAEHM NCc1cc(=O)[n-]c(CNC(=O)NC[C@@H]2CSc3ccccc3O2)n1 ZINC000659557472 493212715 /nfs/dbraw/zinc/21/27/15/493212715.db2.gz YHTHYPOSQZJPFU-LLVKDONJSA-N -1 3 361.427 0.993 10 0 FCAEHM CC(C)NC(=O)[C@H]1CCCN(C(=O)NCc2nc(CN)cc(=O)[n-]2)C1 ZINC000659629137 493223054 /nfs/dbraw/zinc/22/30/54/493223054.db2.gz NEZCWBFMQMXPIA-NSHDSACASA-N -1 3 350.423 0.087 10 0 FCAEHM C[C@@H]1C[C@@]2(CCO1)CN(C(=O)NCc1nc(CN)cc(=O)[n-]1)C[C@@H](C)O2 ZINC000659630512 493224331 /nfs/dbraw/zinc/22/43/31/493224331.db2.gz PQDLNYBESVUEGS-QFSBIZTOSA-N -1 3 365.434 0.509 10 0 FCAEHM CCCN1CC[C@@H](NC(=O)C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1 ZINC000659662183 493238030 /nfs/dbraw/zinc/23/80/30/493238030.db2.gz CGUKYQBDFXLCPE-RFQIPJPRSA-N -1 3 353.463 0.839 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)NCC[C@@H](COC)OC)ccc1F ZINC000667066315 493256729 /nfs/dbraw/zinc/25/67/29/493256729.db2.gz NMEPMLSOVGXZHI-NSHDSACASA-N -1 3 363.411 0.907 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)NCC[C@H](COC)OC)ccc1F ZINC000667066314 493256829 /nfs/dbraw/zinc/25/68/29/493256829.db2.gz NMEPMLSOVGXZHI-LLVKDONJSA-N -1 3 363.411 0.907 10 0 FCAEHM CC(C)O[C@]1(CS(=O)(=O)[N-][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)CCOC1 ZINC000659918224 493302863 /nfs/dbraw/zinc/30/28/63/493302863.db2.gz BKEFAMBVHHXNLK-KNCOVGOOSA-N -1 3 360.476 0.499 10 0 FCAEHM CC(C)O[C@]1(CS(=O)(=O)[N-][C@H](C)C2(S(C)(=O)=O)CC2)CCOC1 ZINC000659966033 493309369 /nfs/dbraw/zinc/30/93/69/493309369.db2.gz FOYSNEUCQWGPHR-CHWSQXEVSA-N -1 3 369.505 0.456 10 0 FCAEHM C[C@@]1(c2ccc(C(=O)N3C[C@@H](O)CC(F)(F)C3)cc2)NC(=O)[N-]C1=O ZINC000682592085 493310276 /nfs/dbraw/zinc/31/02/76/493310276.db2.gz XOKSCJBDQINPLP-NHYWBVRUSA-N -1 3 353.325 0.583 10 0 FCAEHM COc1cc(OC)cc(N2CC[C@@H]([N-]S(=O)(=O)N(C)C3CC3)C2=O)c1 ZINC000673929022 493375026 /nfs/dbraw/zinc/37/50/26/493375026.db2.gz JONONLTVGBAPRK-OAHLLOKOSA-N -1 3 369.443 0.738 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000673959534 493376834 /nfs/dbraw/zinc/37/68/34/493376834.db2.gz NFGIKTDKRULYOG-OAHLLOKOSA-N -1 3 357.410 0.830 10 0 FCAEHM COc1cccc(-c2nc(C(=O)N3CCC[C@]4(C3)NC(=O)[N-]C4=O)no2)c1 ZINC000684078738 493392473 /nfs/dbraw/zinc/39/24/73/493392473.db2.gz JDYUAVCPUWGZKO-QGZVFWFLSA-N -1 3 371.353 0.559 10 0 FCAEHM CN1C[C@@H](C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c2ccccc2C1=O ZINC000684079367 493392561 /nfs/dbraw/zinc/39/25/61/493392561.db2.gz NYAXAUPGYPBABM-ACJLOTCBSA-N -1 3 356.382 0.056 10 0 FCAEHM Cc1cc(S(=O)(=O)[N-]CCCN2CCCS2(=O)=O)c(F)cc1F ZINC000674675914 493438335 /nfs/dbraw/zinc/43/83/35/493438335.db2.gz LSJQEGPNVMRSRM-UHFFFAOYSA-N -1 3 368.427 0.977 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@H]2C[C@@H](C)n3ncnc32)s1 ZINC000661543913 493446031 /nfs/dbraw/zinc/44/60/31/493446031.db2.gz IVOSQUYJLKFSIP-SCZZXKLOSA-N -1 3 370.460 0.753 10 0 FCAEHM O=C(CC[C@@H]1NC(=O)[N-]C1=O)N1CCN(c2nccc3sccc32)CC1 ZINC000685198089 493465308 /nfs/dbraw/zinc/46/53/08/493465308.db2.gz XTYSLNOGSFQYLM-LBPRGKRZSA-N -1 3 373.438 0.933 10 0 FCAEHM Cc1cncc(CCNC(=O)NCC[N-]S(=O)(=O)c2cccs2)n1 ZINC000661907946 493474021 /nfs/dbraw/zinc/47/40/21/493474021.db2.gz DEVRYGMFPGWMOK-UHFFFAOYSA-N -1 3 369.472 0.667 10 0 FCAEHM O=C([O-])CN1CC[C@H](N2CCC(CCCN3CCOCC3)CC2)C1=O ZINC000662211766 493496520 /nfs/dbraw/zinc/49/65/20/493496520.db2.gz QXCUDMRXZXZDAV-INIZCTEOSA-N -1 3 353.463 0.496 10 0 FCAEHM O=C([O-])[C@]12COC[C@H]1CN(CC(=O)NCCOc1ccc(F)cc1)C2 ZINC000662219925 493497663 /nfs/dbraw/zinc/49/76/63/493497663.db2.gz ONLDYIYYGWGERV-SJKOYZFVSA-N -1 3 352.362 0.354 10 0 FCAEHM C[C@@H](NC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F)C(C)(C)O ZINC000669608629 493513949 /nfs/dbraw/zinc/51/39/49/493513949.db2.gz BAJQIGOGFNCBAQ-SECBINFHSA-N -1 3 365.402 0.702 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@H](C)[C@@H](F)C1 ZINC000669632392 493515912 /nfs/dbraw/zinc/51/59/12/493515912.db2.gz LYBBSTLAVLPPDE-QWRGUYRKSA-N -1 3 350.437 0.963 10 0 FCAEHM Cc1ccc(CN(CCO)C(=O)C[N-]S(=O)(=O)c2c(C)noc2C)o1 ZINC000685842408 493519635 /nfs/dbraw/zinc/51/96/35/493519635.db2.gz OLKMKGXJRHSWJW-UHFFFAOYSA-N -1 3 371.415 0.492 10 0 FCAEHM COc1ccc([C@@H](CC(=O)NCc2nc(CN)cc(=O)[n-]2)NC(C)=O)cc1 ZINC000662753838 493538540 /nfs/dbraw/zinc/53/85/40/493538540.db2.gz XTGILYFLOQUMHS-OAHLLOKOSA-N -1 3 373.413 0.533 10 0 FCAEHM CCN1CC[C@H]([N-]S(=O)(=O)c2ccc([C@@H](C)NC(C)=O)s2)C1=O ZINC000669984872 493538838 /nfs/dbraw/zinc/53/88/38/493538838.db2.gz KQOKVDKUFFLTCE-KOLCDFICSA-N -1 3 359.473 0.844 10 0 FCAEHM CCN1CC[C@H]([N-]S(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)C1=O ZINC000669984887 493538962 /nfs/dbraw/zinc/53/89/62/493538962.db2.gz MNWVZWKLDCOSJC-JTQLQIEISA-N -1 3 357.823 0.590 10 0 FCAEHM CCN1CC[C@@H]([N-]S(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)C1=O ZINC000669984888 493539008 /nfs/dbraw/zinc/53/90/08/493539008.db2.gz MNWVZWKLDCOSJC-SNVBAGLBSA-N -1 3 357.823 0.590 10 0 FCAEHM Cc1n[nH]cc1[N-]S(=O)(=O)CCCS(=O)(=O)NC1CC(C)(C)C1 ZINC000662847427 493547117 /nfs/dbraw/zinc/54/71/17/493547117.db2.gz DHPAZUNKCMLBOF-UHFFFAOYSA-N -1 3 364.493 0.958 10 0 FCAEHM CCN1C(=O)N=NC1C1CCN(C(=O)c2cc(=O)[n-]c(N(C)C)n2)CC1 ZINC000670204207 493552359 /nfs/dbraw/zinc/55/23/59/493552359.db2.gz OQEKBQZKWCUIGN-UHFFFAOYSA-N -1 3 361.406 0.585 10 0 FCAEHM COC1(C[N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)CCOCC1 ZINC000676563455 493559686 /nfs/dbraw/zinc/55/96/86/493559686.db2.gz STPFZHFPZVAJFZ-UHFFFAOYSA-N -1 3 363.457 0.564 10 0 FCAEHM CCn1cncc1S(=O)(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000676846501 493573540 /nfs/dbraw/zinc/57/35/40/493573540.db2.gz VINZNSOJSPEYED-UHFFFAOYSA-N -1 3 364.427 0.755 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]c1ccnc(OCCO)c1)C1CCOCC1 ZINC000663301265 493583278 /nfs/dbraw/zinc/58/32/78/493583278.db2.gz XJAFASJXRQWOSI-CQSZACIVSA-N -1 3 360.432 0.636 10 0 FCAEHM O=C([O-])[C@H](CNC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1)C1CCC1 ZINC000663632424 493607316 /nfs/dbraw/zinc/60/73/16/493607316.db2.gz HSBWZEJHJNDOKH-HUUCEWRRSA-N -1 3 351.447 0.690 10 0 FCAEHM C[C@@H](CNC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1)N1CCC[C@@H](C)C1 ZINC000663632556 493607407 /nfs/dbraw/zinc/60/74/07/493607407.db2.gz KBSKNRMEERVPIU-IPYPFGDCSA-N -1 3 353.463 0.840 10 0 FCAEHM C[C@]1(c2ccc(CNC(=O)N3CC[C@@]4(O)C[C@H]4C3)cc2)NC(=O)[N-]C1=O ZINC000663920969 493625863 /nfs/dbraw/zinc/62/58/63/493625863.db2.gz YQNQXYZMXYZHFV-MORSLUCNSA-N -1 3 358.398 0.408 10 0 FCAEHM Cn1nnnc1CC[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000678492854 493646591 /nfs/dbraw/zinc/64/65/91/493646591.db2.gz NBRJDTADYOLQQT-UHFFFAOYSA-N -1 3 364.200 0.633 10 0 FCAEHM Cn1nnnc1CC[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000678494263 493646658 /nfs/dbraw/zinc/64/66/58/493646658.db2.gz ZGJZGRZQNVWYQH-UHFFFAOYSA-N -1 3 364.200 0.633 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCC(OCCO)CC1 ZINC000678575303 493651346 /nfs/dbraw/zinc/65/13/46/493651346.db2.gz YOCCZOOWZSFGBE-LBPRGKRZSA-N -1 3 374.434 0.492 10 0 FCAEHM CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000664430260 493659295 /nfs/dbraw/zinc/65/92/95/493659295.db2.gz YEESFIXBVDTJCN-LLVKDONJSA-N -1 3 359.386 0.790 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)N[C@@H]1C[C@H](O)C12CCC2 ZINC000664500293 493663730 /nfs/dbraw/zinc/66/37/30/493663730.db2.gz AUSDWHSFOXYXHI-MNOVXSKESA-N -1 3 359.473 0.629 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)N1CCC[C@@](O)(C2CC2)C1 ZINC000664504017 493664267 /nfs/dbraw/zinc/66/42/67/493664267.db2.gz VYNYHHQGRIXUJC-HNNXBMFYSA-N -1 3 373.500 0.973 10 0 FCAEHM C[C@H](Cn1ncc2ccccc21)C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000671837607 493708274 /nfs/dbraw/zinc/70/82/74/493708274.db2.gz YCMUVUYKMTXOPO-XIKOKIGWSA-N -1 3 355.398 0.873 10 0 FCAEHM CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000665304163 493708526 /nfs/dbraw/zinc/70/85/26/493708526.db2.gz ZFIJRQDXQATULD-LSDHHAIUSA-N -1 3 368.478 0.729 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCCCC[C@H]1CCO ZINC000671898145 493712360 /nfs/dbraw/zinc/71/23/60/493712360.db2.gz FWLBYEMXLXBCCK-JTQLQIEISA-N -1 3 374.235 0.865 10 0 FCAEHM C[C@H](NC(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1)c1ccc(-n2cncn2)cc1 ZINC000680603727 493725832 /nfs/dbraw/zinc/72/58/32/493725832.db2.gz PMYVKVOYKBRBKD-SMDDNHRTSA-N -1 3 369.385 0.274 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H](CO)[C@H]1CCCOC1 ZINC000665654051 493729259 /nfs/dbraw/zinc/72/92/59/493729259.db2.gz INRKDAGBJDZHCG-OBJOEFQTSA-N -1 3 374.434 0.396 10 0 FCAEHM COC[C@@](C)(CO)NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000681074193 493743643 /nfs/dbraw/zinc/74/36/43/493743643.db2.gz RYLJHZMZPYGNCA-LLVKDONJSA-N -1 3 356.853 0.193 10 0 FCAEHM O=C(NCCc1ccnc2ccccc12)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000666023781 493749431 /nfs/dbraw/zinc/74/94/31/493749431.db2.gz OJQAUKIRJIKPQZ-HNNXBMFYSA-N -1 3 353.382 0.723 10 0 FCAEHM C[C@@H](O)[C@H]1CN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)CCO1 ZINC000412906606 533851439 /nfs/dbraw/zinc/85/14/39/533851439.db2.gz CALOWFGIWXJOEF-RKDXNWHRSA-N -1 3 368.864 0.288 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)NCC[C@@H](O)C(F)(F)F ZINC000410057075 534584353 /nfs/dbraw/zinc/58/43/53/534584353.db2.gz XHCPGZOXIXYMSM-GFCCVEGCSA-N -1 3 371.315 0.687 10 0 FCAEHM CN(C)c1nc(CN(C)[C@H]2CCN(C(=O)c3ccc[nH]c3=O)C2)cc(=O)[n-]1 ZINC000276623156 522334483 /nfs/dbraw/zinc/33/44/83/522334483.db2.gz WRJSUMHJXDUHID-ZDUSSCGKSA-N -1 3 372.429 0.695 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000275591905 527138221 /nfs/dbraw/zinc/13/82/21/527138221.db2.gz KFQRRTCKGNPVLF-OLZOCXBDSA-N -1 3 373.413 0.260 10 0 FCAEHM CCOC(=O)[C@@H]1CN(Cc2c([O-])nnn2-c2ccccc2)CC12COC2 ZINC000412988906 527885566 /nfs/dbraw/zinc/88/55/66/527885566.db2.gz MKRZDJCIGIRION-AWEZNQCLSA-N -1 3 358.398 0.984 10 0 FCAEHM CCC[C@H](O)[C@@H](CO)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000412527715 528287228 /nfs/dbraw/zinc/28/72/28/528287228.db2.gz UCOUWHRPXGYJQC-FMKPAKJESA-N -1 3 350.415 0.635 10 0 FCAEHM CCCc1nc(=NC(=O)C(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)s[n-]1 ZINC000411521017 528684396 /nfs/dbraw/zinc/68/43/96/528684396.db2.gz SFFMLTPERPCIQV-NWDGAFQWSA-N -1 3 351.476 0.936 10 0 FCAEHM CCCS(=O)(=O)N1CCC([N-]S(=O)(=O)c2cn(CC)cn2)CC1 ZINC000331033747 528804444 /nfs/dbraw/zinc/80/44/44/528804444.db2.gz XEQKFFREGJEFMH-UHFFFAOYSA-N -1 3 364.493 0.386 10 0 FCAEHM CCc1noc(C)c1NC(=O)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000436779544 535887768 /nfs/dbraw/zinc/88/77/68/535887768.db2.gz WCYIYSCFTLJZLG-UHFFFAOYSA-N -1 3 360.370 0.736 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)c2cc(C(N)=O)cn2C)s1 ZINC000445682003 536316636 /nfs/dbraw/zinc/31/66/36/536316636.db2.gz LZRRJIRBCOOBOE-UHFFFAOYSA-N -1 3 356.429 0.024 10 0 FCAEHM COC(=O)c1conc1C(C)(C)[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC000425227837 536850895 /nfs/dbraw/zinc/85/08/95/536850895.db2.gz JJNKCZIKOFYNCD-UHFFFAOYSA-N -1 3 354.388 0.818 10 0 FCAEHM CS(=O)(=O)CCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000424924101 536918232 /nfs/dbraw/zinc/91/82/32/536918232.db2.gz ZMMKYFTZITVWNN-AWEZNQCLSA-N -1 3 368.455 0.938 10 0 FCAEHM CS(=O)(=O)CCCCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000424924103 536918585 /nfs/dbraw/zinc/91/85/85/536918585.db2.gz ZMMKYFTZITVWNN-CQSZACIVSA-N -1 3 368.455 0.938 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-][C@H]2CN(c3ccc(F)cc3)C2=O)C[C@@H](C)O1 ZINC000329298640 546552482 /nfs/dbraw/zinc/55/24/82/546552482.db2.gz LNBZSIKNILRWTJ-GYSYKLTISA-N -1 3 357.407 0.485 10 0 FCAEHM C[C@@H]1CCN(S(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)c2ccnn2C)C1 ZINC000592106235 546608098 /nfs/dbraw/zinc/60/80/98/546608098.db2.gz SSWAPXLMBVRLDW-YPMHNXCESA-N -1 3 358.464 0.979 10 0 FCAEHM CCOC(=O)Cn1cccc([N-]S(=O)(=O)C[C@@H](OC)C2CC2)c1=O ZINC000592353804 546629806 /nfs/dbraw/zinc/62/98/06/546629806.db2.gz VSWDZWRSHXMNRP-CYBMUJFWSA-N -1 3 358.416 0.578 10 0 FCAEHM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCCn2ccnn2)c(F)c1 ZINC000593574656 546718313 /nfs/dbraw/zinc/71/83/13/546718313.db2.gz FFRZBSVRFRAQSQ-UHFFFAOYSA-N -1 3 356.379 0.963 10 0 FCAEHM COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)[N-]Cc1ncc2c(n1)CCOC2 ZINC000593626904 546723400 /nfs/dbraw/zinc/72/34/00/546723400.db2.gz LVCWBZFRTWDDGT-JSGCOSHPSA-N -1 3 369.443 0.701 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CCF)C(=O)OC)c(OC)c1 ZINC000593634031 546724704 /nfs/dbraw/zinc/72/47/04/546724704.db2.gz JDPAQFXYQHTVEM-JTQLQIEISA-N -1 3 363.363 0.661 10 0 FCAEHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@H](CCF)C(=O)OC ZINC000593634546 546725123 /nfs/dbraw/zinc/72/51/23/546725123.db2.gz WHTPBFFKSKPXPC-MRVPVSSYSA-N -1 3 351.352 0.808 10 0 FCAEHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CO)c2ccnn2C)c(F)c1 ZINC000593608988 546726557 /nfs/dbraw/zinc/72/65/57/546726557.db2.gz UGHHUOMEPZUKOO-LBPRGKRZSA-N -1 3 371.390 0.748 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593708849 546740016 /nfs/dbraw/zinc/74/00/16/546740016.db2.gz ARCLYYLULHBMEK-BYGADWOMSA-N -1 3 370.452 0.904 10 0 FCAEHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593713399 546744446 /nfs/dbraw/zinc/74/44/46/546744446.db2.gz VWYVMWJDWUQEQE-GHMSSADISA-N -1 3 356.425 0.595 10 0 FCAEHM CCOC(=O)[C@H](CC1(OC)CCC1)NC(=O)c1cn(C)c(=O)[n-]c1=O ZINC000593848784 546756514 /nfs/dbraw/zinc/75/65/14/546756514.db2.gz DCUMKWQUIHSJDK-NSHDSACASA-N -1 3 353.375 0.107 10 0 FCAEHM CCOC(=O)c1ccc(C[N-]S(=O)(=O)C[C@@H](OC)[C@@H]2CCOC2)o1 ZINC000594763601 546820552 /nfs/dbraw/zinc/82/05/52/546820552.db2.gz VYJTZXUHBYDXQQ-BXUZGUMPSA-N -1 3 361.416 0.927 10 0 FCAEHM COC(=O)[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000594825147 546837278 /nfs/dbraw/zinc/83/72/78/546837278.db2.gz YSNWZYQURAWZPX-WCBMZHEXSA-N -1 3 365.205 0.453 10 0 FCAEHM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-][C@H]2CCOC[C@@H]2C)c1 ZINC000277986226 546868200 /nfs/dbraw/zinc/86/82/00/546868200.db2.gz UGDQUZYIPIKDMU-GWCFXTLKSA-N -1 3 371.411 0.963 10 0 FCAEHM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-][C@H]2CCOC[C@H]2C)c1 ZINC000277986234 546869270 /nfs/dbraw/zinc/86/92/70/546869270.db2.gz UGDQUZYIPIKDMU-MFKMUULPSA-N -1 3 371.411 0.963 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(C[C@@H](C)CS(C)(=O)=O)CC2)n[n-]1 ZINC000373116136 546896698 /nfs/dbraw/zinc/89/66/98/546896698.db2.gz RZGXDISANSPHLX-LLVKDONJSA-N -1 3 358.464 0.842 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(C[C@@H](C)CS(C)(=O)=O)CC2)[n-]1 ZINC000373116136 546896701 /nfs/dbraw/zinc/89/67/01/546896701.db2.gz RZGXDISANSPHLX-LLVKDONJSA-N -1 3 358.464 0.842 10 0 FCAEHM CCOC(=O)c1n[n-]c(C2CCN(C[C@@H](C)CS(C)(=O)=O)CC2)n1 ZINC000373116136 546896703 /nfs/dbraw/zinc/89/67/03/546896703.db2.gz RZGXDISANSPHLX-LLVKDONJSA-N -1 3 358.464 0.842 10 0 FCAEHM CCCC(=O)NCC(=O)N1CCC(c2n[n-]c(C(=O)OCC)n2)CC1 ZINC000373073675 546897595 /nfs/dbraw/zinc/89/75/95/546897595.db2.gz GFUVZBMBTHIVLL-UHFFFAOYSA-N -1 3 351.407 0.604 10 0 FCAEHM CCCC(=O)NCC(=O)N1CCC(c2nnc(C(=O)OCC)[n-]2)CC1 ZINC000373073675 546897599 /nfs/dbraw/zinc/89/75/99/546897599.db2.gz GFUVZBMBTHIVLL-UHFFFAOYSA-N -1 3 351.407 0.604 10 0 FCAEHM CCOc1ccc(S(=O)(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c(C)c1 ZINC000433445698 546923226 /nfs/dbraw/zinc/92/32/26/546923226.db2.gz CFRCZPSTNKRAPY-MRXNPFEDSA-N -1 3 367.427 0.756 10 0 FCAEHM CNC(=O)[C@@H](CO)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000551510332 547150984 /nfs/dbraw/zinc/15/09/84/547150984.db2.gz FOAAMPSDCMFANB-SSDOTTSWSA-N -1 3 371.640 0.488 10 0 FCAEHM CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)CNC(=O)c1cccc([O-])c1 ZINC000553249198 547263766 /nfs/dbraw/zinc/26/37/66/547263766.db2.gz ZABWDJOXBARQEH-CYBMUJFWSA-N -1 3 369.443 0.052 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CC[C@@H]([C@H]2CCCO2)C1 ZINC000899623574 665948200 /nfs/dbraw/zinc/94/82/00/665948200.db2.gz RKWCAMGDHNATES-MWLCHTKSSA-N -1 3 372.219 0.739 10 0 FCAEHM C[C@@H](Cn1cncn1)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000160464968 663337783 /nfs/dbraw/zinc/33/77/83/663337783.db2.gz BQTYYHABOOCQAL-JTQLQIEISA-N -1 3 367.406 0.676 10 0 FCAEHM Cc1ccc(N2CC[C@H]([N-]S(=O)(=O)C[C@H]3CN(C)CCO3)C2=O)cc1 ZINC000866869922 663472156 /nfs/dbraw/zinc/47/21/56/663472156.db2.gz RHROMKQBXHUPEU-CVEARBPZSA-N -1 3 367.471 0.350 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@@H]2C[C@H](N3CCOCC3)C2(C)C)nc1Cl ZINC000867451896 664286794 /nfs/dbraw/zinc/28/67/94/664286794.db2.gz OIKSUWZQFGXULM-MNOVXSKESA-N -1 3 362.883 0.851 10 0 FCAEHM CCO[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)[C@@H]1SC ZINC000895514961 665048458 /nfs/dbraw/zinc/04/84/58/665048458.db2.gz YHQGNOXKRRDDQQ-BLTAXRJOSA-N -1 3 367.475 0.969 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]C[C@]2(O)CCSC2)c(Br)n1 ZINC000866909920 665147467 /nfs/dbraw/zinc/14/74/67/665147467.db2.gz WPORTZMNPARBJM-SECBINFHSA-N -1 3 356.267 0.329 10 0 FCAEHM CNC(=O)[C@H]1CCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000729355797 665294852 /nfs/dbraw/zinc/29/48/52/665294852.db2.gz KDHBRAIZEWKEKJ-CYBMUJFWSA-N -1 3 369.418 0.617 10 0 FCAEHM CCOC(=O)[C@H]1CCCN(CC(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)C1 ZINC000911850101 666378262 /nfs/dbraw/zinc/37/82/62/666378262.db2.gz ZJCWMKQCDIKCFY-OLZOCXBDSA-N -1 3 350.419 0.706 10 0 FCAEHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@@]1(CO)COCCN1C ZINC000921340112 666437428 /nfs/dbraw/zinc/43/74/28/666437428.db2.gz VRPXYWSVHGLFGA-MRXNPFEDSA-N -1 3 372.418 0.852 10 0 FCAEHM CO[C@@]1(C[N-]S(=O)(=O)c2cnn(C)c2Br)CCSC1 ZINC000921401852 666443333 /nfs/dbraw/zinc/44/33/33/666443333.db2.gz JVOGILLHWHXXJB-SNVBAGLBSA-N -1 3 370.294 0.983 10 0 FCAEHM CO[C@@]1(C[N-]S(=O)(=O)c2cn(C)nc2Br)CCSC1 ZINC000921400930 666445495 /nfs/dbraw/zinc/44/54/95/666445495.db2.gz IQDDNXAJUDOYQW-SNVBAGLBSA-N -1 3 370.294 0.983 10 0 FCAEHM CO[C@@]1(C[N-]S(=O)(=O)c2cc(F)ccc2Cl)CCS(=O)(=O)C1 ZINC000921466280 666449439 /nfs/dbraw/zinc/44/94/39/666449439.db2.gz XOUYZSSLYMISGJ-GFCCVEGCSA-N -1 3 371.839 0.961 10 0 FCAEHM CCNS(=O)(=O)CCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000731835135 666841049 /nfs/dbraw/zinc/84/10/49/666841049.db2.gz PPIFGHVBPCILKH-CYBMUJFWSA-N -1 3 369.443 0.052 10 0 FCAEHM COc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CN3CCN2CCC3)cc1F ZINC000917066972 667053018 /nfs/dbraw/zinc/05/30/18/667053018.db2.gz SNQZNBLORNEENA-LLVKDONJSA-N -1 3 361.414 0.642 10 0 FCAEHM NC(=O)NCCNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000736104210 667075020 /nfs/dbraw/zinc/07/50/20/667075020.db2.gz JCTNPEABFDTWLZ-UHFFFAOYSA-N -1 3 353.176 0.689 10 0 FCAEHM O=C([N-]CCCN1CCN(c2ccc3nncn3n2)CC1)C(F)(F)F ZINC000154809519 667135656 /nfs/dbraw/zinc/13/56/56/667135656.db2.gz CTVCKUFVFOHLPL-UHFFFAOYSA-N -1 3 357.340 0.315 10 0 FCAEHM COC(=O)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(F)c(OC)cc1F ZINC000919090884 667154358 /nfs/dbraw/zinc/15/43/58/667154358.db2.gz QCFQKZUONUSICW-AMIZOPFISA-N -1 3 365.354 0.830 10 0 FCAEHM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000920926384 667258765 /nfs/dbraw/zinc/25/87/65/667258765.db2.gz YOFQKCAMGQGKBW-DDIDRBJESA-N -1 3 353.388 0.505 10 0 FCAEHM CN1C[C@@H](CC[N-]S(=O)(=O)N=[S@@](C)(=O)c2ccccc2)CC1=O ZINC000921057580 667266119 /nfs/dbraw/zinc/26/61/19/667266119.db2.gz BNXGHFFBXUIZPG-YTEVENLXSA-N -1 3 359.473 0.846 10 0 FCAEHM COC(=O)/C(C)=C/C[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000921210664 667272794 /nfs/dbraw/zinc/27/27/94/667272794.db2.gz AABAELOKCZODEQ-QPJJXVBHSA-N -1 3 352.210 0.580 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)ccc1F ZINC000752416158 667514988 /nfs/dbraw/zinc/51/49/88/667514988.db2.gz FASRGNPDRWJZDL-MWLCHTKSSA-N -1 3 357.407 0.508 10 0 FCAEHM O=C(c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F)N1C[C@H]2C[C@@]2(O)C1 ZINC000921893465 667534316 /nfs/dbraw/zinc/53/43/16/667534316.db2.gz JWIYDJRQRQAVNW-ANRSDYALSA-N -1 3 358.366 0.612 10 0 FCAEHM CC(C)(C)n1cnc(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)n1 ZINC000753187323 667543176 /nfs/dbraw/zinc/54/31/76/667543176.db2.gz DMQZATOHTJOJQA-UHFFFAOYSA-N -1 3 371.195 0.697 10 0 FCAEHM Cn1ccc(C[N-]S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)n1 ZINC000805050877 667566926 /nfs/dbraw/zinc/56/69/26/667566926.db2.gz GHWBDSHMORWZQS-UHFFFAOYSA-N -1 3 365.383 0.895 10 0 FCAEHM Cn1nnc2c1C[C@@H]([N-]S(=O)(=O)c1cccc(Br)n1)CC2 ZINC000922037417 667572419 /nfs/dbraw/zinc/57/24/19/667572419.db2.gz BLWBUDGEVPYSAE-QMMMGPOBSA-N -1 3 372.248 0.808 10 0 FCAEHM CCC1(CC)CNC(=O)[C@H]1[N-]S(=O)(=O)C[C@@H](OC)C1CCOCC1 ZINC000922037726 667572424 /nfs/dbraw/zinc/57/24/24/667572424.db2.gz FMAQZYJPNKVOPN-ZIAGYGMSSA-N -1 3 362.492 0.652 10 0 FCAEHM Cn1nnc2c1C[C@H]([N-]S(=O)(=O)c1ccc(Br)cn1)CC2 ZINC000922044043 667573849 /nfs/dbraw/zinc/57/38/49/667573849.db2.gz HCPDZRPNKYMAOD-SECBINFHSA-N -1 3 372.248 0.808 10 0 FCAEHM CNC(=O)Cc1nc(COC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cs1 ZINC000754818765 667612654 /nfs/dbraw/zinc/61/26/54/667612654.db2.gz WSHXHXULSSUOFC-UHFFFAOYSA-N -1 3 359.363 0.672 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]3CCNC(=O)[C@H]32)ccc1F ZINC000922444851 667653461 /nfs/dbraw/zinc/65/34/61/667653461.db2.gz DSSVXQIQUYUSJF-HZMBPMFUSA-N -1 3 369.418 0.475 10 0 FCAEHM Cn1cc([C@H](CO)[N-]S(=O)(=O)c2c(Cl)nc3ccccn32)cn1 ZINC000756975531 667693896 /nfs/dbraw/zinc/69/38/96/667693896.db2.gz HWISSZMANODDMO-JTQLQIEISA-N -1 3 355.807 0.733 10 0 FCAEHM COC(=O)[C@@H]1CSCCN(CC(=O)[N-]C(=O)c2ccc(OC)cc2)C1 ZINC000839676573 667720804 /nfs/dbraw/zinc/72/08/04/667720804.db2.gz MYDBDRRTSSLJRS-ZDUSSCGKSA-N -1 3 366.439 0.790 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)OCc1nc(C)c2ccccc2n1 ZINC000758351197 667755208 /nfs/dbraw/zinc/75/52/08/667755208.db2.gz NCCFLGJOZXJQLM-UHFFFAOYSA-N -1 3 367.427 0.937 10 0 FCAEHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@@]2(CCO)CCOC2)c1 ZINC000759768457 667819621 /nfs/dbraw/zinc/81/96/21/667819621.db2.gz GWWFMXIDHVJRRW-OAHLLOKOSA-N -1 3 361.391 0.680 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cn(C)nc1Br)[C@@H]1CN(C)CCO1 ZINC000866986924 667932312 /nfs/dbraw/zinc/93/23/12/667932312.db2.gz AZRJTXSAGOUVDZ-BDAKNGLRSA-N -1 3 367.269 0.180 10 0 FCAEHM C[C@H](CO)COC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000766702792 668034525 /nfs/dbraw/zinc/03/45/25/668034525.db2.gz ATQGOKPOALYUKL-SSDOTTSWSA-N -1 3 372.262 0.961 10 0 FCAEHM NC(=O)NCCNC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000767923812 668063827 /nfs/dbraw/zinc/06/38/27/668063827.db2.gz JYOAIUQFBWAPTB-UHFFFAOYSA-N -1 3 353.176 0.689 10 0 FCAEHM CCCCCCn1cc(S(=O)(=O)[N-][C@@H]2CCCN(C)C2)c(=O)[nH]c1=O ZINC000769638856 668145352 /nfs/dbraw/zinc/14/53/52/668145352.db2.gz ONUYQJMLHHYILX-CYBMUJFWSA-N -1 3 372.491 0.902 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)OCc1nnc(C)n1C1CC1 ZINC000774895064 668181194 /nfs/dbraw/zinc/18/11/94/668181194.db2.gz OLSDPJBCZKJHLP-UHFFFAOYSA-N -1 3 369.403 0.548 10 0 FCAEHM COC(=O)C(=O)[C@@H](C)OC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000778309860 668361018 /nfs/dbraw/zinc/36/10/18/668361018.db2.gz XBZVBUNRKBMCAL-ZCFIWIBFSA-N -1 3 369.804 0.354 10 0 FCAEHM COC[C@](C)(CCO)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000778432691 668367822 /nfs/dbraw/zinc/36/78/22/668367822.db2.gz DPURWVSGGIKTEU-INIZCTEOSA-N -1 3 374.434 0.784 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](O)CC(F)(F)C2)ccc1F ZINC000787551992 668801609 /nfs/dbraw/zinc/80/16/09/668801609.db2.gz XUVCPEYPUKYVSV-VIFPVBQESA-N -1 3 352.334 0.576 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)[C@H]2CCCN(C(=O)OCC)C2)[n-]1 ZINC000787906497 668813726 /nfs/dbraw/zinc/81/37/26/668813726.db2.gz QIHIODZJYGSUOZ-JTQLQIEISA-N -1 3 353.379 0.466 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)[C@@H]2CCCN(C(=O)OCC)C2)[n-]1 ZINC000787906501 668813817 /nfs/dbraw/zinc/81/38/17/668813817.db2.gz QIHIODZJYGSUOZ-SNVBAGLBSA-N -1 3 353.379 0.466 10 0 FCAEHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]CC(=O)Nc2ccn(C)n2)c1 ZINC000787911728 668814514 /nfs/dbraw/zinc/81/45/14/668814514.db2.gz IRODEMQZTGEHKQ-UHFFFAOYSA-N -1 3 370.362 0.263 10 0 FCAEHM CS(=O)(=O)N1CCCC[C@@H]1CN/C=C1/C(=O)[N-]C(=O)c2ccccc21 ZINC000794736972 668993997 /nfs/dbraw/zinc/99/39/97/668993997.db2.gz UNOHCGBSQBWNQF-PKVLTRFUSA-N -1 3 363.439 0.701 10 0 FCAEHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]CCCn2ccnn2)c1 ZINC000795924769 669071540 /nfs/dbraw/zinc/07/15/40/669071540.db2.gz WIJBSOJRUMZOSB-UHFFFAOYSA-N -1 3 356.379 0.963 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCc2ncnn2C(C)C)ccc1F ZINC000798253750 669219893 /nfs/dbraw/zinc/21/98/93/669219893.db2.gz AUNOKZBMZVGNOL-UHFFFAOYSA-N -1 3 355.395 0.836 10 0 FCAEHM COC(=O)[C@@H](O)C[N-]S(=O)(=O)Cc1cc(C)ccc1Br ZINC000867027015 669330243 /nfs/dbraw/zinc/33/02/43/669330243.db2.gz FMPUSEHMGZRYMA-NSHDSACASA-N -1 3 366.233 0.711 10 0 FCAEHM CS(=O)(=O)NCC1CCN(C(=O)c2nnc3ccccc3c2[O-])CC1 ZINC000804329241 669375288 /nfs/dbraw/zinc/37/52/88/669375288.db2.gz BXJYOLOEKXVLIB-UHFFFAOYSA-N -1 3 364.427 0.737 10 0 FCAEHM COCCO[N-]C(=O)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000809726207 669638217 /nfs/dbraw/zinc/63/82/17/669638217.db2.gz FLGWWZSRWBIQNP-UHFFFAOYSA-N -1 3 367.368 0.602 10 0 FCAEHM CNC(=O)[C@H](O)C[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000809838019 669644071 /nfs/dbraw/zinc/64/40/71/669644071.db2.gz NVPCBXHTPXINLV-MRVPVSSYSA-N -1 3 371.640 0.488 10 0 FCAEHM Cn1c(CO)nn(CN2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1=S ZINC000811785899 669771461 /nfs/dbraw/zinc/77/14/61/669771461.db2.gz JVHWWXMAOAASGB-VIFPVBQESA-N -1 3 367.397 0.791 10 0 FCAEHM O=C([N-]CC1CCN(C(=O)NC2COCCOC2)CC1)C(F)(F)F ZINC000813817477 669855760 /nfs/dbraw/zinc/85/57/60/669855760.db2.gz CZKVZJZGCJQLRH-UHFFFAOYSA-N -1 3 353.341 0.502 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1CCCN(CCCO)C1 ZINC000831810657 669869462 /nfs/dbraw/zinc/86/94/62/669869462.db2.gz UQAAFFLQTFBZFE-LLVKDONJSA-N -1 3 350.872 0.507 10 0 FCAEHM COC(=O)c1cc(C(=O)O[C@H](C)C(=O)N(C)CC(=O)NC2CC2)c[n-]1 ZINC000814529818 669887428 /nfs/dbraw/zinc/88/74/28/669887428.db2.gz SZECMSSXFQZOQH-SECBINFHSA-N -1 3 351.359 0.084 10 0 FCAEHM C[C@H]1CN(CC[N-]S(=O)(=O)c2cn(C)nc2Br)CCO1 ZINC000867146766 670019428 /nfs/dbraw/zinc/01/94/28/670019428.db2.gz ZCYIEPNDXWXOII-VIFPVBQESA-N -1 3 367.269 0.182 10 0 FCAEHM COCC[C@@]1([N-]S(=O)(=O)c2cn(C)nc2Br)CCOC1 ZINC000867199702 670068933 /nfs/dbraw/zinc/06/89/33/670068933.db2.gz TUIHXQRCOZHACG-LLVKDONJSA-N -1 3 368.253 0.657 10 0 FCAEHM CCN1CC[C@@H]([N-]S(=O)(=O)c2cn(C)nc2Br)C1=O ZINC000867241191 670133934 /nfs/dbraw/zinc/13/39/34/670133934.db2.gz RAGKKWBUOJQUMR-SSDOTTSWSA-N -1 3 351.226 0.082 10 0 FCAEHM C[C@@H](O)[C@H]1CN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CCO1 ZINC000840565839 670511625 /nfs/dbraw/zinc/51/16/25/670511625.db2.gz LJNLBMFGZXAMHH-QMTHXVAHSA-N -1 3 372.418 0.488 10 0 FCAEHM CC[S@](C)(=O)=NS(=O)(=O)[N-]CCCn1cc(Br)cn1 ZINC000867271783 670609926 /nfs/dbraw/zinc/60/99/26/670609926.db2.gz GHXFJVUYBLPJBT-SFHVURJKSA-N -1 3 373.298 0.988 10 0 FCAEHM O=C(c1cc2c(cc1[O-])OCO2)N1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000844018938 670882542 /nfs/dbraw/zinc/88/25/42/670882542.db2.gz ZNRMGGUWIDEGRM-OAHLLOKOSA-N -1 3 355.368 0.151 10 0 FCAEHM C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)CSc1n[n-]c(=S)s1 ZINC000844034089 670885073 /nfs/dbraw/zinc/88/50/73/670885073.db2.gz JKQBIUWCRQGKQC-QMMMGPOBSA-N -1 3 361.518 0.497 10 0 FCAEHM CCN1C[C@H]([N-]S(=O)(=O)c2cn(C)nc2Br)CC1=O ZINC000867352901 670918225 /nfs/dbraw/zinc/91/82/25/670918225.db2.gz SNXUSJVXXQCYPM-SSDOTTSWSA-N -1 3 351.226 0.082 10 0 FCAEHM CCN1CCN(CC(C)(C)[N-]S(=O)(=O)N=[S@@](C)(=O)CC)CC1 ZINC000867373247 670950330 /nfs/dbraw/zinc/95/03/30/670950330.db2.gz USESHVCKRQLWBL-NRFANRHFSA-N -1 3 354.542 0.355 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)OC[C@@H]2CN(C3CC3)C(=O)O2)c(C)o1 ZINC000845131074 670968130 /nfs/dbraw/zinc/96/81/30/670968130.db2.gz HETPUPPPVAYTHN-JTQLQIEISA-N -1 3 358.372 0.636 10 0 FCAEHM NC(=O)[C@H]1C[C@@H](NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)C1 ZINC000845448280 671005412 /nfs/dbraw/zinc/00/54/12/671005412.db2.gz PXZBPHDUPYNGNN-AOOOYVTPSA-N -1 3 350.341 0.350 10 0 FCAEHM CO[N-]C(=O)C(=O)Nc1ccc(OCCCN2CCN(C)CC2)cc1 ZINC000845947339 671055744 /nfs/dbraw/zinc/05/57/44/671055744.db2.gz XPJXRLOCALHCKR-UHFFFAOYSA-N -1 3 350.419 0.319 10 0 FCAEHM COC[C@@H]([N-]S(=O)(=O)Cc1cccc(Br)c1C)C(N)=O ZINC000848447083 671276056 /nfs/dbraw/zinc/27/60/56/671276056.db2.gz HYFJSYKQHGCQKV-LLVKDONJSA-N -1 3 365.249 0.677 10 0 FCAEHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000848515512 671283484 /nfs/dbraw/zinc/28/34/84/671283484.db2.gz OEGZIRVLXAADFG-LLVKDONJSA-N -1 3 372.374 0.874 10 0 FCAEHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C[C@H]1CN(C2CC2)C(=O)O1 ZINC000848515515 671283552 /nfs/dbraw/zinc/28/35/52/671283552.db2.gz OEGZIRVLXAADFG-NSHDSACASA-N -1 3 372.374 0.874 10 0 FCAEHM COCc1nc(C[N-]S(=O)(=O)c2cncc(Br)c2)n[nH]1 ZINC000849437297 671344634 /nfs/dbraw/zinc/34/46/34/671344634.db2.gz DDZWRLIDHZEUQZ-UHFFFAOYSA-N -1 3 362.209 0.587 10 0 FCAEHM Cc1ncc(S(=O)(=O)[N-]CCS(=O)(=O)CC(F)(F)F)s1 ZINC000849441273 671346006 /nfs/dbraw/zinc/34/60/06/671346006.db2.gz QMLMXPUORIWWRK-UHFFFAOYSA-N -1 3 352.381 0.707 10 0 FCAEHM CO[C@H](COC(=O)C[N-]S(=O)(=O)c1c(C)noc1C)[C@@H]1CCOC1 ZINC000849641650 671356175 /nfs/dbraw/zinc/35/61/75/671356175.db2.gz BLSJXAORZVOPEL-VXGBXAGGSA-N -1 3 362.404 0.164 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)OCCO[C@H]1CC1(F)F ZINC000849641700 671356242 /nfs/dbraw/zinc/35/62/42/671356242.db2.gz BYWPUTXJJPIWIM-VIFPVBQESA-N -1 3 354.331 0.537 10 0 FCAEHM O=S(=O)([N-][C@@H]1C[C@@H](N2CCOCC2)C12CCC2)c1c[nH]nc1Cl ZINC000851825013 671471495 /nfs/dbraw/zinc/47/14/95/671471495.db2.gz RIBRKKKQMUUNTC-VXGBXAGGSA-N -1 3 360.867 0.985 10 0 FCAEHM COC(=O)CC[C@@H](C(=O)OC)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000852009019 671481123 /nfs/dbraw/zinc/48/11/23/671481123.db2.gz WYMUQNMKAWCCIR-NSHDSACASA-N -1 3 368.352 0.872 10 0 FCAEHM COC(=O)CC[C@H](C(=O)OC)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000852061109 671484324 /nfs/dbraw/zinc/48/43/24/671484324.db2.gz KDUXXCBGQPECBL-WDEREUQCSA-N -1 3 368.352 0.872 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC3=C(CCC(=O)N3)C2)c(C)o1 ZINC000855154387 671628189 /nfs/dbraw/zinc/62/81/89/671628189.db2.gz GBUGFBPDOZRKJF-UHFFFAOYSA-N -1 3 353.400 0.506 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@@H](C)n3ncnc32)ccc1F ZINC000855328144 671636657 /nfs/dbraw/zinc/63/66/57/671636657.db2.gz PPQCAJWTWJDCEI-LDYMZIIASA-N -1 3 353.379 0.761 10 0 FCAEHM COC(=O)C1CC2(C1)CN(CC(=O)N1CCCCCC1)C[C@H]2C(=O)[O-] ZINC000903411399 675929012 /nfs/dbraw/zinc/92/90/12/675929012.db2.gz MMKYWTNWPOYZLY-FVRSWCFKSA-N -1 3 352.431 0.975 10 0 FCAEHM O=C(N[C@@H]1Cc2cncn2C1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000857888708 671745438 /nfs/dbraw/zinc/74/54/38/671745438.db2.gz ZSGQJADYQUXWIO-GFCCVEGCSA-N -1 3 364.402 0.818 10 0 FCAEHM CN1CCOC[C@H]1CNC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000858838242 671779258 /nfs/dbraw/zinc/77/92/58/671779258.db2.gz BWEGJEMNEKPSBK-VXGBXAGGSA-N -1 3 366.384 0.417 10 0 FCAEHM O=S(=O)([N-]CC[C@@H]1CNCCS1(=O)=O)c1cc(F)ccc1Cl ZINC000903542311 675941482 /nfs/dbraw/zinc/94/14/82/675941482.db2.gz RUQWPXKUBKFLRO-SNVBAGLBSA-N -1 3 370.855 0.534 10 0 FCAEHM CCON(CC)C(=O)C[N-]S(=O)(=O)c1cc(F)ccc1C(=O)OC ZINC000859272877 671806789 /nfs/dbraw/zinc/80/67/89/671806789.db2.gz CIFJHVBJQGSURP-UHFFFAOYSA-N -1 3 362.379 0.691 10 0 FCAEHM COC(=O)C1=CC[C@H]([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)C1 ZINC000859287093 671810081 /nfs/dbraw/zinc/81/00/81/671810081.db2.gz LCAXUZRGQMNGOB-QMMMGPOBSA-N -1 3 356.331 0.800 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(CCCF)CC2)ccc1F ZINC000862112179 672028081 /nfs/dbraw/zinc/02/80/81/672028081.db2.gz AZDHTMYHVNOPJO-UHFFFAOYSA-N -1 3 361.414 0.851 10 0 FCAEHM CC(C)(C)OC(=O)N1CC2(C1)C[C@@H](NC(=O)c1cc(=O)[n-]cn1)CO2 ZINC000862183805 672036214 /nfs/dbraw/zinc/03/62/14/672036214.db2.gz MKLMWUACHFUMFE-SNVBAGLBSA-N -1 3 350.375 0.690 10 0 FCAEHM O=C(NC[C@H](O)[C@@H]1CCCO1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000862651842 672062692 /nfs/dbraw/zinc/06/26/92/672062692.db2.gz PUCBJXYPLIPOMU-KBPBESRZSA-N -1 3 372.418 0.536 10 0 FCAEHM O=C(NC[C@@H](O)[C@@H]1CCCO1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000862651843 672062741 /nfs/dbraw/zinc/06/27/41/672062741.db2.gz PUCBJXYPLIPOMU-KGLIPLIRSA-N -1 3 372.418 0.536 10 0 FCAEHM O=C(NC[C@H](O)[C@H]1CCCO1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000862651844 672062769 /nfs/dbraw/zinc/06/27/69/672062769.db2.gz PUCBJXYPLIPOMU-UONOGXRCSA-N -1 3 372.418 0.536 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CN(Cc3ccccc3)CCO2)nn1 ZINC000866444718 672274435 /nfs/dbraw/zinc/27/44/35/672274435.db2.gz KKIQCVOAZINXOI-INIZCTEOSA-N -1 3 362.455 0.964 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-]C2CCOCC2)c1I ZINC000866549325 672281428 /nfs/dbraw/zinc/28/14/28/672281428.db2.gz KQBFTZOJZQBOMC-UHFFFAOYSA-N -1 3 371.200 0.482 10 0 FCAEHM COC[C@@H](C)C[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866606017 672284519 /nfs/dbraw/zinc/28/45/19/672284519.db2.gz QYTRYHLDBRUSEA-ZETCQYMHSA-N -1 3 373.216 0.586 10 0 FCAEHM CC[C@H](CO)[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866828872 672314760 /nfs/dbraw/zinc/31/47/60/672314760.db2.gz OZFVBJCWOIVISI-ZCFIWIBFSA-N -1 3 359.189 0.074 10 0 FCAEHM CCN1C[C@H](C[N-]S(=O)(=O)c2cn(C)nc2Br)CC1=O ZINC000867461237 672319642 /nfs/dbraw/zinc/31/96/42/672319642.db2.gz MJNJBEDOXQZLDY-QMMMGPOBSA-N -1 3 365.253 0.329 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-]CC[C@@]2(O)CCOC2)c1Br ZINC000867461099 672319787 /nfs/dbraw/zinc/31/97/87/672319787.db2.gz ZJIZSMUOPMIMEK-SNVBAGLBSA-N -1 3 354.226 0.002 10 0 FCAEHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC(C(=O)OC)C2)c1F ZINC000867770941 672365968 /nfs/dbraw/zinc/36/59/68/672365968.db2.gz IXURJZWALFSBCK-UHFFFAOYSA-N -1 3 363.338 0.981 10 0 FCAEHM Cn1nnnc1CCOC(=O)c1ccc(I)c([O-])c1 ZINC000869475299 672435045 /nfs/dbraw/zinc/43/50/45/672435045.db2.gz MABMLHDURDCVRG-UHFFFAOYSA-N -1 3 374.138 0.920 10 0 FCAEHM O=C(c1cc2c(cc1[O-])OCO2)N1CCO[C@H](CN2CCOCC2)C1 ZINC000870063730 672465140 /nfs/dbraw/zinc/46/51/40/672465140.db2.gz UUADKKRTWVXPFR-GFCCVEGCSA-N -1 3 350.371 0.294 10 0 FCAEHM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000871977965 672589651 /nfs/dbraw/zinc/58/96/51/672589651.db2.gz RWMKDYWEKPEABL-UHFFFAOYSA-N -1 3 369.443 0.088 10 0 FCAEHM O=S(=O)([N-]C[C@@]1(C(F)(F)F)CCCN1)c1cnn2c1OCCC2 ZINC000923684143 673448229 /nfs/dbraw/zinc/44/82/29/673448229.db2.gz AUZFIAXNCFAPCQ-LLVKDONJSA-N -1 3 354.354 0.628 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCC[C@@H](C)[S@](C)=O)ccc1F ZINC000134847577 673456677 /nfs/dbraw/zinc/45/66/77/673456677.db2.gz ZKDQQVVUBZRZRA-AOUSDQRYSA-N -1 3 350.437 0.621 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]C[C@@]1(C(F)(F)F)CCCN1)[C@@H]1CCOC1 ZINC000923685728 673466433 /nfs/dbraw/zinc/46/64/33/673466433.db2.gz NKIAKCPUNFUBJH-IJLUTSLNSA-N -1 3 360.398 0.642 10 0 FCAEHM CCn1c(=O)[nH]c2cc(C(=O)[N-]N3C(=O)[C@@H](C)N(C)C3=O)ccc2c1=O ZINC001167405654 1169865860 /nfs/dbraw/zinc/86/58/60/1169865860.db2.gz VCFIYFRRPXUJQX-MRVPVSSYSA-N -1 3 359.342 0.049 10 0 FCAEHM COCC[C@@H](C)C(=O)N1C[C@@H](CNC(=O)c2cnc[n-]c2=O)[C@H](C)C1 ZINC001719716842 1179746660 /nfs/dbraw/zinc/74/66/60/1179746660.db2.gz CSVXKJDTPMNJML-JHJVBQTASA-N -1 3 350.419 0.679 10 0 FCAEHM C[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1CCNC(=O)c1cnc[n-]c1=O ZINC001719759761 1179898663 /nfs/dbraw/zinc/89/86/63/1179898663.db2.gz SBVJJPFKDXYRKW-CHWSQXEVSA-N -1 3 358.402 0.293 10 0 FCAEHM COC[C@H](OC)C(=O)NCC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001719771783 1179956051 /nfs/dbraw/zinc/95/60/51/1179956051.db2.gz AHNPDSVQMLWBPO-BZPMIXESSA-N -1 3 366.418 0.058 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCN(c3nccnn3)CC2)c1 ZINC001167744440 1183120396 /nfs/dbraw/zinc/12/03/96/1183120396.db2.gz GAXUQBQZXIMGLU-UHFFFAOYSA-N -1 3 354.370 0.664 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnco1 ZINC001719842342 1186265849 /nfs/dbraw/zinc/26/58/49/1186265849.db2.gz UQNGZCBJFRVVQV-XBFCOCLRSA-N -1 3 371.397 0.973 10 0 FCAEHM CCN(CCNCc1cc(=O)n2[n-]ccc2n1)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001268468924 1187543732 /nfs/dbraw/zinc/54/37/32/1187543732.db2.gz DGQUBYZZOCPWAP-DHSIGJKJSA-N -1 3 373.457 0.776 10 0 FCAEHM O=C([C@@H]1C[C@H]1c1c[nH]cn1)N1CCCC[C@@H]1CCNCc1n[nH]c(=O)[n-]1 ZINC001482449181 1189486823 /nfs/dbraw/zinc/48/68/23/1189486823.db2.gz GGLARGQBFCOWNZ-JHJVBQTASA-N -1 3 359.434 0.898 10 0 FCAEHM C[C@@H](CNCc1cc(=O)n2[n-]ccc2n1)N(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001271043409 1189527613 /nfs/dbraw/zinc/52/76/13/1189527613.db2.gz KVBOSWQJBYYARY-BWQRHGBYSA-N -1 3 373.457 0.774 10 0 FCAEHM COc1cccc([C@@H]2C[C@H]2C(=O)N[C@@H](C)CNCc2nc(=O)n(C)[n-]2)c1 ZINC001483273397 1195764541 /nfs/dbraw/zinc/76/45/41/1195764541.db2.gz IQIMAGDOILSPSN-TUKIKUTGSA-N -1 3 359.430 0.515 10 0 FCAEHM C[C@@H](O)C(=O)N1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CC1 ZINC000153200523 1197013252 /nfs/dbraw/zinc/01/32/52/1197013252.db2.gz JJZQHXWVUAVAHY-LLVKDONJSA-N -1 3 356.382 0.694 10 0 FCAEHM COC(=O)Nc1ccc(C(=O)OCc2cc(=O)n(C)c(=O)n2C)cc1[O-] ZINC000745654747 1198396562 /nfs/dbraw/zinc/39/65/62/1198396562.db2.gz XGQCPHRWHVJGBU-UHFFFAOYSA-N -1 3 363.326 0.325 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)c2cccc(N3CCOC3=O)c2)[n-]1 ZINC000787916295 1200920598 /nfs/dbraw/zinc/92/05/98/1200920598.db2.gz ULMQBSWCRGTJKH-UHFFFAOYSA-N -1 3 359.342 0.868 10 0 FCAEHM Cc1cc(N2CCN(C(=O)COC(=O)c3cnn[n-]3)CC2)nc(C(C)C)n1 ZINC000805605427 1201572845 /nfs/dbraw/zinc/57/28/45/1201572845.db2.gz MMHIVWAUAUJTSE-UHFFFAOYSA-N -1 3 373.417 0.532 10 0 FCAEHM Cc1cc(N2CCN(C(=O)COC(=O)c3c[n-]nn3)CC2)nc(C(C)C)n1 ZINC000805605427 1201572848 /nfs/dbraw/zinc/57/28/48/1201572848.db2.gz MMHIVWAUAUJTSE-UHFFFAOYSA-N -1 3 373.417 0.532 10 0 FCAEHM Cc1cc(N2CCN(C(=O)COC(=O)c3cn[n-]n3)CC2)nc(C(C)C)n1 ZINC000805605427 1201572854 /nfs/dbraw/zinc/57/28/54/1201572854.db2.gz MMHIVWAUAUJTSE-UHFFFAOYSA-N -1 3 373.417 0.532 10 0 FCAEHM CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCCc2c(C)[n-][nH]c2=O)c1 ZINC001136654213 1203244267 /nfs/dbraw/zinc/24/42/67/1203244267.db2.gz ZAMWBCCTTBHABQ-HNNXBMFYSA-N -1 3 359.386 0.845 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@]1(C)C[C@@H](O)CN1C(=O)OC(C)(C)C ZINC001144233343 1204439178 /nfs/dbraw/zinc/43/91/78/1204439178.db2.gz XWRYHPJYMRKRPF-PSTGCABASA-N -1 3 368.434 0.375 10 0 FCAEHM O=C([C@@H]1CC(=O)N(Cc2ccccn2)C1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001144503066 1204542686 /nfs/dbraw/zinc/54/26/86/1204542686.db2.gz RDRWCNXVFPCFFV-CHWSQXEVSA-N -1 3 355.398 0.875 10 0 FCAEHM COC1(c2cnnn2C)CN(C(=O)CCNC(=O)c2ccc(C)cc2[O-])C1 ZINC001176846175 1206325165 /nfs/dbraw/zinc/32/51/65/1206325165.db2.gz FHINYHDZPOJAME-UHFFFAOYSA-N -1 3 373.413 0.333 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCC[C@@H](NC(=O)[C@@H]3CCCn4ncnc43)C2)n1 ZINC001177879781 1206350498 /nfs/dbraw/zinc/35/04/98/1206350498.db2.gz PDYUKLWARGPIFW-CHWSQXEVSA-N -1 3 357.418 0.745 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)CCc3ccccc3C(N)=O)CC2)n1 ZINC001178038389 1206352183 /nfs/dbraw/zinc/35/21/83/1206352183.db2.gz ACRHDIAONGUWAO-UHFFFAOYSA-N -1 3 369.425 0.871 10 0 FCAEHM CC(C)OC(=O)c1cc(NC(=O)Cn2nc3n(c2=O)CCCCC3)[n-]n1 ZINC001179076054 1206374147 /nfs/dbraw/zinc/37/41/47/1206374147.db2.gz OENZRMUTESYBOA-UHFFFAOYSA-N -1 3 362.390 0.698 10 0 FCAEHM CC(C)OC(=O)c1cc(NC(=O)Cn2nc3n(c2=O)CCCCC3)n[n-]1 ZINC001179076054 1206374150 /nfs/dbraw/zinc/37/41/50/1206374150.db2.gz OENZRMUTESYBOA-UHFFFAOYSA-N -1 3 362.390 0.698 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)NCCCn2ccc(=O)[nH]c2=O)c([O-])c1 ZINC001180175010 1206388900 /nfs/dbraw/zinc/38/89/00/1206388900.db2.gz OIPSAFVXPRGNLY-UHFFFAOYSA-N -1 3 374.397 0.289 10 0 FCAEHM CCOC(=O)c1cccc2[n-]c(NC(=O)[C@H](CO)NC(=O)C(C)C)nc21 ZINC001180282365 1206392874 /nfs/dbraw/zinc/39/28/74/1206392874.db2.gz OMSYPCMSMSJBPU-LBPRGKRZSA-N -1 3 362.386 0.811 10 0 FCAEHM Cn1nccc1[C@H]1C[C@H](NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)CCO1 ZINC001183468510 1206453877 /nfs/dbraw/zinc/45/38/77/1206453877.db2.gz GHOCCHGKLLGVBX-IAQYHMDHSA-N -1 3 354.366 0.954 10 0 FCAEHM O=C(c1ccc([O-])cc1)N1CCN(Cc2nnc3c(=O)[nH]ccn23)CC1 ZINC001191700275 1207807024 /nfs/dbraw/zinc/80/70/24/1207807024.db2.gz KZMNQLXSABTISQ-UHFFFAOYSA-N -1 3 354.370 0.081 10 0 FCAEHM O=C(CN1CC[C@H](c2nnn[n-]2)C1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001197297889 1208150989 /nfs/dbraw/zinc/15/09/89/1208150989.db2.gz SFDUDBDFTIIHKJ-DZGCQCFKSA-N -1 3 360.393 0.728 10 0 FCAEHM O=C(CN1CC[C@H](c2nn[n-]n2)C1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001197297889 1208150991 /nfs/dbraw/zinc/15/09/91/1208150991.db2.gz SFDUDBDFTIIHKJ-DZGCQCFKSA-N -1 3 360.393 0.728 10 0 FCAEHM Cn1nccc1[C@@H]1C[C@H]1C(=O)NC[C@H](NC(=O)c1cn[n-]n1)C(C)(C)C ZINC001488506603 1208527120 /nfs/dbraw/zinc/52/71/20/1208527120.db2.gz HQCSUNXOLYQRCD-GYSYKLTISA-N -1 3 359.434 0.603 10 0 FCAEHM CC(C)(C)C(=O)NCCC(=O)NC[C@H]1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001488943880 1208580274 /nfs/dbraw/zinc/58/02/74/1208580274.db2.gz HBEOOEXSTOVREX-NWDGAFQWSA-N -1 3 366.466 0.437 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CN(C(=O)[C@H](C)CC(C)(C)C)C[C@H]1O ZINC001489390349 1208811119 /nfs/dbraw/zinc/81/11/19/1208811119.db2.gz OVFNYHIZINEKKZ-RAIGVLPGSA-N -1 3 364.446 0.864 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1NC(=O)CCn1cnccc1=O ZINC001489487480 1208886985 /nfs/dbraw/zinc/88/69/85/1208886985.db2.gz HNYBVTVOJBBVNY-UKRRQHHQSA-N -1 3 370.409 0.616 10 0 FCAEHM CCCC[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@@H]1O ZINC001489573802 1208951185 /nfs/dbraw/zinc/95/11/85/1208951185.db2.gz OXLRGDAVWDTFRO-UHTWSYAYSA-N -1 3 350.419 0.618 10 0 FCAEHM O=C(C/C=C\c1ccccc1F)N1C[C@@H](NC(=O)c2cn[n-]n2)[C@@H](O)C1 ZINC001489599883 1209026476 /nfs/dbraw/zinc/02/64/76/1209026476.db2.gz XPYBHUXQTXESEY-SUXDSQMHSA-N -1 3 359.361 0.349 10 0 FCAEHM CC[C@H](CC(=O)N1C[C@@H](NC(=O)c2c(C)nc[n-]c2=O)[C@@H](O)C1)C(C)C ZINC001489614701 1209045229 /nfs/dbraw/zinc/04/52/29/1209045229.db2.gz ROMNLAHDFIGKPC-MCIONIFRSA-N -1 3 364.446 0.864 10 0 FCAEHM Cc1n[nH]c(C(=O)NC[C@H]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C2)c1[O-] ZINC001489871378 1209129342 /nfs/dbraw/zinc/12/93/42/1209129342.db2.gz QIQDXXYZSYPUGJ-QWHCGFSZSA-N -1 3 363.462 0.923 10 0 FCAEHM Cn1cc([C@@H]2CN(C(=O)/C=C/C(C)(C)C)C[C@H]2NC(=O)c2cn[n-]n2)cn1 ZINC001489912913 1209152588 /nfs/dbraw/zinc/15/25/88/1209152588.db2.gz ZPAFVXHKGSGYHW-XPKDBEDXSA-N -1 3 371.445 0.865 10 0 FCAEHM CC[C@H](F)C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@H]2OCC[C@H]2CC)n1 ZINC001489968526 1209185104 /nfs/dbraw/zinc/18/51/04/1209185104.db2.gz NCROATGDKGEGJN-GMXABZIVSA-N -1 3 368.409 0.978 10 0 FCAEHM COC[C@H](OC)C(=O)N1C[C@H]2CCN(C(=O)c3ccccc3[O-])C[C@H]2C1 ZINC001490048985 1209227491 /nfs/dbraw/zinc/22/74/91/1209227491.db2.gz CZIJRWWOQUUQNI-KEYYUXOJSA-N -1 3 362.426 0.974 10 0 FCAEHM CC[C@H](C)OCC(=O)N1C[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@]2(C)C1 ZINC001490224985 1209277567 /nfs/dbraw/zinc/27/75/67/1209277567.db2.gz YLTVVYPAZQGAFY-JCGVRSQUSA-N -1 3 362.430 0.918 10 0 FCAEHM COCC(=O)NC[C@@H]1CN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C[C@H]1C ZINC001490253437 1209287615 /nfs/dbraw/zinc/28/76/15/1209287615.db2.gz SJOILKDLAYCGRU-ZYHUDNBSSA-N -1 3 359.382 0.041 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CNC(=O)CCc1ncccn1 ZINC001490350543 1209310552 /nfs/dbraw/zinc/31/05/52/1209310552.db2.gz LVHKSXZQRPFGLF-CHWSQXEVSA-N -1 3 370.413 0.429 10 0 FCAEHM COCC(C)(C)C(=O)N1C[C@@H](CNC(=O)c2cnc[n-]c2=O)[C@H](C)C1 ZINC001490322415 1209317590 /nfs/dbraw/zinc/31/75/90/1209317590.db2.gz UBRRMDKXWVZYEX-VXGBXAGGSA-N -1 3 350.419 0.679 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCO2)C1 ZINC001490381934 1209329812 /nfs/dbraw/zinc/32/98/12/1209329812.db2.gz MJQPEKBVIJEDAQ-MRVWCRGKSA-N -1 3 362.430 0.884 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1nc[nH]n1 ZINC001490653072 1209404477 /nfs/dbraw/zinc/40/44/77/1209404477.db2.gz ZCBHKPUENOKCTJ-WXHSDQCUSA-N -1 3 371.401 0.103 10 0 FCAEHM O=C(CCn1cncn1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccccc1[O-] ZINC001490740399 1209420414 /nfs/dbraw/zinc/42/04/14/1209420414.db2.gz JJWYWWRMBDUIIO-YUELXQCFSA-N -1 3 355.398 0.936 10 0 FCAEHM O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000851645160 1209507798 /nfs/dbraw/zinc/50/77/98/1209507798.db2.gz HBBQKLRTJYUGSC-CQSZACIVSA-N -1 3 354.370 0.371 10 0 FCAEHM C[C@@H]1C[C@H](NC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])c2ncnn21 ZINC000855330137 1209665697 /nfs/dbraw/zinc/66/56/97/1209665697.db2.gz DGZIAGWLNKVWRS-SKDRFNHKSA-N -1 3 370.344 0.901 10 0 FCAEHM C[C@@H]1C[C@H](NC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)c2ncnn21 ZINC000855330137 1209665701 /nfs/dbraw/zinc/66/57/01/1209665701.db2.gz DGZIAGWLNKVWRS-SKDRFNHKSA-N -1 3 370.344 0.901 10 0 FCAEHM O=C(N[C@H]1C[C@H](O)C12CCC2)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC000855921312 1209686831 /nfs/dbraw/zinc/68/68/31/1209686831.db2.gz VFEMOQUWJADMKZ-KBPBESRZSA-N -1 3 359.357 0.907 10 0 FCAEHM O=C(N[C@H]1C[C@H](O)C12CCC2)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000855921312 1209686834 /nfs/dbraw/zinc/68/68/34/1209686834.db2.gz VFEMOQUWJADMKZ-KBPBESRZSA-N -1 3 359.357 0.907 10 0 FCAEHM CCOC(=O)C[C@@H](O)COC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000859498297 1209823374 /nfs/dbraw/zinc/82/33/74/1209823374.db2.gz ICEVJDCREYUAOS-OCCSQVGLSA-N -1 3 365.382 0.854 10 0 FCAEHM NC(=O)c1ccc(CC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cn1 ZINC000860047697 1209837845 /nfs/dbraw/zinc/83/78/45/1209837845.db2.gz JMSWZBBNNJXYLP-UHFFFAOYSA-N -1 3 368.393 0.413 10 0 FCAEHM O=C(COCc1cc[nH]c(=O)c1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000860048412 1209837873 /nfs/dbraw/zinc/83/78/73/1209837873.db2.gz UULXEUBQWPKYKS-UHFFFAOYSA-N -1 3 371.393 0.994 10 0 FCAEHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCO[C@H](CN3CCOCC3)C2)c1 ZINC000870064578 1210103632 /nfs/dbraw/zinc/10/36/32/1210103632.db2.gz CATWWXPVVRGBJG-OAHLLOKOSA-N -1 3 363.414 0.524 10 0 FCAEHM C[C@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C[C@@H]1O ZINC000089402285 1210842014 /nfs/dbraw/zinc/84/20/14/1210842014.db2.gz KXRKMKGQDMKOLQ-IUCAKERBSA-N -1 3 352.865 0.909 10 0 FCAEHM O=C(NC[C@H](NC(=O)[C@]12C[C@H]1COC2)C1CCCC1)c1cnc[n-]c1=O ZINC001299481956 1211206977 /nfs/dbraw/zinc/20/69/77/1211206977.db2.gz HKFHJJBCGBOQDI-YEWDVWPNSA-N -1 3 360.414 0.624 10 0 FCAEHM C/C(=C/C(=O)N1CCN(c2nc(C)cc(=O)[n-]2)CC1)CN1CCOCC1 ZINC000924297677 1211466475 /nfs/dbraw/zinc/46/64/75/1211466475.db2.gz OFLZTMCKNGAHNY-KAMYIIQDSA-N -1 3 361.446 0.418 10 0 FCAEHM O=C(CCn1cccc1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O ZINC001490854692 1212443829 /nfs/dbraw/zinc/44/38/29/1212443829.db2.gz GIFCLDJSZSKHHA-YUELXQCFSA-N -1 3 355.398 0.936 10 0 FCAEHM O=C(N[C@@H]1C[C@H]1C1CC1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001117687077 1221608734 /nfs/dbraw/zinc/60/87/34/1221608734.db2.gz GBTGTBXGKAZCJM-JKSUJKDBSA-N -1 3 357.410 0.591 10 0 FCAEHM CC1(C(=O)[O-])CCN(CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC001118238916 1221740119 /nfs/dbraw/zinc/74/01/19/1221740119.db2.gz SRFJNGNUNUQHTR-UHFFFAOYSA-N -1 3 363.414 0.751 10 0 FCAEHM C[C@H](NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001118325351 1221759275 /nfs/dbraw/zinc/75/92/75/1221759275.db2.gz DOYWMFBTEKRPOG-AIEDFZFUSA-N -1 3 365.474 0.933 10 0 FCAEHM CN1C(=O)C[C@H](C(=O)N2CCc3nc[n-]c(=O)c3C2)[C@H]1c1cccnc1 ZINC001118908673 1221843526 /nfs/dbraw/zinc/84/35/26/1221843526.db2.gz IAIZPVQPTNFWIR-BLLLJJGKSA-N -1 3 353.382 0.682 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCN(c2nnnn2C[C@@H]2CCCO2)CC1 ZINC001119646654 1221944273 /nfs/dbraw/zinc/94/42/73/1221944273.db2.gz AIOKLEVUDOLZPB-ZDUSSCGKSA-N -1 3 358.402 0.520 10 0 FCAEHM CC[C@H](CNC(=O)C(=O)N1CCC(CC)(N2CCOCC2)CC1)C(=O)[O-] ZINC001119641903 1221944421 /nfs/dbraw/zinc/94/44/21/1221944421.db2.gz IUBOGYZUFAQXOP-CQSZACIVSA-N -1 3 369.462 0.317 10 0 FCAEHM COC(=O)[C@]1([N-]C(=O)C(F)(F)n2cc(-c3ccccc3)nn2)CCOC1 ZINC000829948951 1222452334 /nfs/dbraw/zinc/45/23/34/1222452334.db2.gz UNHJSTCNARXHPN-HNNXBMFYSA-N -1 3 366.324 0.943 10 0 FCAEHM C[C@@H]1c2nncn2CCN1C(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001138230475 1222493183 /nfs/dbraw/zinc/49/31/83/1222493183.db2.gz UQEATGDEDASTPM-SNVBAGLBSA-N -1 3 370.344 0.682 10 0 FCAEHM C[C@@H]1c2nncn2CCN1C(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001138230475 1222493185 /nfs/dbraw/zinc/49/31/85/1222493185.db2.gz UQEATGDEDASTPM-SNVBAGLBSA-N -1 3 370.344 0.682 10 0 FCAEHM O=C(N[C@@]1(CCO)CCOC1)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001139232005 1222545159 /nfs/dbraw/zinc/54/51/59/1222545159.db2.gz BQEITAYTTJTILV-KRWDZBQOSA-N -1 3 363.345 0.145 10 0 FCAEHM O=C(N[C@@]1(CCO)CCOC1)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001139232005 1222545165 /nfs/dbraw/zinc/54/51/65/1222545165.db2.gz BQEITAYTTJTILV-KRWDZBQOSA-N -1 3 363.345 0.145 10 0 FCAEHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)[C@@H]1C[C@H](O)CN1c1ccncn1 ZINC001142020078 1222802957 /nfs/dbraw/zinc/80/29/57/1222802957.db2.gz WUZYYAJQEVWWFC-GWCFXTLKSA-N -1 3 370.348 0.374 10 0 FCAEHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)[C@@H]1C[C@H](O)CN1c1ccncn1 ZINC001142020078 1222802960 /nfs/dbraw/zinc/80/29/60/1222802960.db2.gz WUZYYAJQEVWWFC-GWCFXTLKSA-N -1 3 370.348 0.374 10 0 FCAEHM O=C(CCc1nc(-c2ncccn2)no1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001164321979 1223237552 /nfs/dbraw/zinc/23/75/52/1223237552.db2.gz LISUKRMTDFBGLL-JTQLQIEISA-N -1 3 355.358 0.904 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(C(=O)CCc3cn(C)nn3)CC2)n[n-]1 ZINC001328675588 1265595394 /nfs/dbraw/zinc/59/53/94/1265595394.db2.gz BFDLZDQAHXBWGF-UHFFFAOYSA-N -1 3 361.406 0.449 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(C(=O)CCc3cn(C)nn3)CC2)[n-]1 ZINC001328675588 1265595397 /nfs/dbraw/zinc/59/53/97/1265595397.db2.gz BFDLZDQAHXBWGF-UHFFFAOYSA-N -1 3 361.406 0.449 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NC[C@@H]1COCCN1C ZINC001329192038 1265709018 /nfs/dbraw/zinc/70/90/18/1265709018.db2.gz RRCAMTGWTGBUSG-CQSZACIVSA-N -1 3 357.414 0.130 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NCc1cc(=O)[n-]c(CNC(=O)Cn2ccnc2)n1 ZINC001519541071 1265729547 /nfs/dbraw/zinc/72/95/47/1265729547.db2.gz GOYPSTUURJTWQV-DGCLKSJQSA-N -1 3 358.402 0.357 10 0 FCAEHM O=C(Cc1ccon1)NCc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@H]2C2CC2)n1 ZINC001519540786 1265728952 /nfs/dbraw/zinc/72/89/52/1265728952.db2.gz CIMUHYBLIVJIDA-UONOGXRCSA-N -1 3 371.397 0.691 10 0 FCAEHM C[C@H]1CCN(CC(=O)N2CCN(C(=O)c3ccco3)CC2)C[C@@H]1C(=O)[O-] ZINC001329419946 1265753639 /nfs/dbraw/zinc/75/36/39/1265753639.db2.gz KBTWLHFGZSVPNT-KBPBESRZSA-N -1 3 363.414 0.607 10 0 FCAEHM C[C@H]1CCN(CC(=O)N2CCN(C(=O)c3ccco3)CC2)C[C@H]1C(=O)[O-] ZINC001329419950 1265753883 /nfs/dbraw/zinc/75/38/83/1265753883.db2.gz KBTWLHFGZSVPNT-UONOGXRCSA-N -1 3 363.414 0.607 10 0 FCAEHM O=C(NCc1ccc([O-])c(F)c1)C(=O)NCc1ncc2c(n1)CCOC2 ZINC001329851929 1265875191 /nfs/dbraw/zinc/87/51/91/1265875191.db2.gz OBQKFELPXUIIAV-UHFFFAOYSA-N -1 3 360.345 0.327 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCC[C@H](NC(=O)C3(N4CCOCC4)CC3)C2)n1 ZINC001521937982 1266242537 /nfs/dbraw/zinc/24/25/37/1266242537.db2.gz NPISMZCNGIHUKS-AWEZNQCLSA-N -1 3 361.446 0.440 10 0 FCAEHM COC(=O)c1[n-]cnc1NC(=O)c1cccc(CN2C(=O)CNC2=O)c1 ZINC001128947193 1259270434 /nfs/dbraw/zinc/27/04/34/1259270434.db2.gz PDQGVJVSMSAQGA-UHFFFAOYSA-N -1 3 357.326 0.500 10 0 FCAEHM COC(=O)c1nc[n-]c1NC(=O)c1cccc(CN2C(=O)CNC2=O)c1 ZINC001128947193 1259270439 /nfs/dbraw/zinc/27/04/39/1259270439.db2.gz PDQGVJVSMSAQGA-UHFFFAOYSA-N -1 3 357.326 0.500 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CCC[C@@H](N2CCCC2=O)C1 ZINC001251450940 1259748525 /nfs/dbraw/zinc/74/85/25/1259748525.db2.gz KJOAVTOAQRGWTG-UONOGXRCSA-N -1 3 374.445 0.557 10 0 FCAEHM CCOC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)C1 ZINC001251450705 1259748798 /nfs/dbraw/zinc/74/87/98/1259748798.db2.gz DVNDXYVVASOGGR-CHWSQXEVSA-N -1 3 363.418 0.746 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CCC[C@H](N2CCCC2=O)C1 ZINC001251450938 1259748995 /nfs/dbraw/zinc/74/89/95/1259748995.db2.gz KJOAVTOAQRGWTG-KBPBESRZSA-N -1 3 374.445 0.557 10 0 FCAEHM CC[C@@H]1C(=O)N(CC)CCN1C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001251451218 1259749209 /nfs/dbraw/zinc/74/92/09/1259749209.db2.gz SBLHORKRQYSZHT-CHWSQXEVSA-N -1 3 362.434 0.413 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CCNC(=O)c1ccn(C)n1 ZINC001521991376 1266282678 /nfs/dbraw/zinc/28/26/78/1266282678.db2.gz NMRCGIZHKJFSIT-VXGBXAGGSA-N -1 3 358.402 0.444 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1CCNC(=O)[C@H]1CCNC1=O ZINC001522013285 1266298758 /nfs/dbraw/zinc/29/87/58/1266298758.db2.gz DVYJTJXDIRKFBS-UMVBOHGHSA-N -1 3 359.426 0.743 10 0 FCAEHM Cn1[n-]c(CN[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cccnc2)C2CC2)nc1=O ZINC001265372190 1260412914 /nfs/dbraw/zinc/41/29/14/1260412914.db2.gz DFWGWRZWAGFHHN-ZNMIVQPWSA-N -1 3 356.430 0.292 10 0 FCAEHM Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1ccccc1[O-] ZINC001337526403 1260423093 /nfs/dbraw/zinc/42/30/93/1260423093.db2.gz ANUFURHZTKXNLN-MRVWCRGKSA-N -1 3 358.398 0.136 10 0 FCAEHM CO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c(C)nc[n-]c1=O)C1CC1 ZINC001522140536 1266366660 /nfs/dbraw/zinc/36/66/60/1266366660.db2.gz UMJYPPQYKGDFTA-OSFYFWSMSA-N -1 3 360.414 0.777 10 0 FCAEHM CC(C)COCCC(=O)N1C[C@H]2CCN(C(=O)c3cnc[n-]c3=O)C[C@H]21 ZINC001281945281 1261302868 /nfs/dbraw/zinc/30/28/68/1261302868.db2.gz CCDFCHXBQFHFHM-UKRRQHHQSA-N -1 3 362.430 0.918 10 0 FCAEHM O=C(CNC(=O)C1CCCCC1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn[n-]n1)C2 ZINC001522175467 1266398969 /nfs/dbraw/zinc/39/89/69/1266398969.db2.gz BKGAJTMYMFGMJC-IPYPFGDCSA-N -1 3 374.445 0.363 10 0 FCAEHM O=C(CCc1cn[nH]c1)N[C@@H]1CCCC[C@H]1NC(=O)c1cnc[n-]c1=O ZINC001282009263 1261329467 /nfs/dbraw/zinc/32/94/67/1261329467.db2.gz VAGOINCNSJFOJZ-ZIAGYGMSSA-N -1 3 358.402 0.695 10 0 FCAEHM CC[C@@H](NC(C)=O)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cnc[n-]c1=O ZINC001282012336 1261331442 /nfs/dbraw/zinc/33/14/42/1261331442.db2.gz MQBLRMCHJLEWTR-MGPQQGTHSA-N -1 3 363.418 0.254 10 0 FCAEHM CCO[C@@H](C)C(=O)N1C[C@@H](CNC(=O)c2cnc[n-]c2=O)[C@H](OCC)C1 ZINC001282169959 1261366558 /nfs/dbraw/zinc/36/65/58/1261366558.db2.gz HVJMAKGNDMTELH-OUCADQQQSA-N -1 3 366.418 0.201 10 0 FCAEHM CC(C)C(=O)NCc1nc(CNC(=O)[C@@H]2CCO[C@H]2C2CC2)cc(=O)[n-]1 ZINC001282229216 1261387066 /nfs/dbraw/zinc/38/70/66/1261387066.db2.gz QCMDQLFTBXPNHK-CJNGLKHVSA-N -1 3 362.430 0.886 10 0 FCAEHM CCCNC(=O)CCCC(=O)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@H]1CC ZINC001282268441 1261397912 /nfs/dbraw/zinc/39/79/12/1261397912.db2.gz YMPKEZKVJWNMBD-GXTWGEPZSA-N -1 3 364.450 0.611 10 0 FCAEHM CC[C@H](OC)C(=O)N[C@H]1CCN(C(=O)Cc2c(C)nc(C)[n-]c2=O)[C@@H]1C ZINC001282331540 1261414055 /nfs/dbraw/zinc/41/40/55/1261414055.db2.gz BZKZOBSSNFWQCI-UGFHNGPFSA-N -1 3 364.446 0.872 10 0 FCAEHM Cc1ccn2c(c1)ncc(C(=O)N(C)CCc1nc([O-])c(C)c(=O)[nH]1)c2=O ZINC001472060854 1261429715 /nfs/dbraw/zinc/42/97/15/1261429715.db2.gz PLBBPJYVYFFORJ-UHFFFAOYSA-N -1 3 369.381 0.827 10 0 FCAEHM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)Nc1cc(C(=O)OC(C)C)n[n-]1 ZINC001472091248 1261435840 /nfs/dbraw/zinc/43/58/40/1261435840.db2.gz SRZOMFZBHAVMJZ-GFCCVEGCSA-N -1 3 365.390 0.041 10 0 FCAEHM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)Nc1cc(C(=O)OC(C)C)[n-]n1 ZINC001472091248 1261435845 /nfs/dbraw/zinc/43/58/45/1261435845.db2.gz SRZOMFZBHAVMJZ-GFCCVEGCSA-N -1 3 365.390 0.041 10 0 FCAEHM CN(C)C(=O)CC(=O)N1C[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@]2(C)C1 ZINC001282430102 1261449510 /nfs/dbraw/zinc/44/95/10/1261449510.db2.gz SIYJTPOXBQTRJH-YJYMSZOUSA-N -1 3 359.426 0.791 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC001472253480 1261455221 /nfs/dbraw/zinc/45/52/21/1261455221.db2.gz MUPXFFWWLCYELS-OLZOCXBDSA-N -1 3 371.397 0.519 10 0 FCAEHM Cn1nc(C2CCOCC2)cc1C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001472253838 1261455531 /nfs/dbraw/zinc/45/55/31/1261455531.db2.gz CELCBLPEILBRGD-ZDUSSCGKSA-N -1 3 372.429 0.818 10 0 FCAEHM CO[C@H](C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)C(=O)OC(C)(C)C ZINC001472253959 1261455595 /nfs/dbraw/zinc/45/55/95/1261455595.db2.gz FINBFCSBWJGYEF-ZWNOBZJWSA-N -1 3 352.391 0.234 10 0 FCAEHM C[C@@H]1C[C@H](C(=O)NCC(=O)Nc2cccc3c(=O)[nH][n-]c(=O)c23)[C@H](C)O1 ZINC001472495973 1261470552 /nfs/dbraw/zinc/47/05/52/1261470552.db2.gz HDGKDIJVSAJLOH-YWVKMMECSA-N -1 3 360.370 0.909 10 0 FCAEHM CN(CCCNC(=O)c1cnc[n-]c1=O)C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001283575082 1261693221 /nfs/dbraw/zinc/69/32/21/1261693221.db2.gz HOAZOWGZBGIKJL-UONOGXRCSA-N -1 3 362.430 0.823 10 0 FCAEHM C[C@@H](CN(C)C(=O)[C@]12C[C@H]1COC2)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001287634372 1261965256 /nfs/dbraw/zinc/96/52/56/1261965256.db2.gz SPDLCTIMUJVMIN-RSNWOKGLSA-N -1 3 360.414 0.673 10 0 FCAEHM COCCN(CCNC(=O)[C@H]1CC[C@@H](C)O1)C(=O)c1c(C)nc[n-]c1=O ZINC001288250632 1262016316 /nfs/dbraw/zinc/01/63/16/1262016316.db2.gz DRTWLBGHMOMVPL-DGCLKSJQSA-N -1 3 366.418 0.263 10 0 FCAEHM COCCCC(=O)N[C@@H]1CN(C(=O)CCc2c(C)nc[n-]c2=O)C[C@H]1C ZINC001289244755 1262154903 /nfs/dbraw/zinc/15/49/03/1262154903.db2.gz SYORMWOGQUAGOX-IUODEOHRSA-N -1 3 364.446 0.813 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1NC(=O)CN(C)C(=O)C1CC1 ZINC001289319634 1262171957 /nfs/dbraw/zinc/17/19/57/1262171957.db2.gz FPVJBSFNOZAPEG-IUODEOHRSA-N -1 3 359.426 0.837 10 0 FCAEHM CCOCCCC(=O)N1C[C@@H](NC(=O)c2c(C)nc[n-]c2=O)[C@H](OC)C1 ZINC001289529776 1262240080 /nfs/dbraw/zinc/24/00/80/1262240080.db2.gz MWAQZUUJFOOFNW-CHWSQXEVSA-N -1 3 366.418 0.263 10 0 FCAEHM Cc1n[nH]c(C(=O)NC[C@H]2CC[C@@H](NC(=O)CN(C)C3CCC3)C2)c1[O-] ZINC001290116631 1262382402 /nfs/dbraw/zinc/38/24/02/1262382402.db2.gz GJFYYPMUKPDOBM-QWHCGFSZSA-N -1 3 363.462 0.923 10 0 FCAEHM Cn1cncc1CC(=O)NC[C@H]1CC[C@@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001290178656 1262396680 /nfs/dbraw/zinc/39/66/80/1262396680.db2.gz YVSQNCZIRNNLJG-NWDGAFQWSA-N -1 3 358.402 0.173 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)CCCCNC(N)=O)CCN1C(=O)c1ccccc1[O-] ZINC001290663673 1262490054 /nfs/dbraw/zinc/49/00/54/1262490054.db2.gz LABAHCTVCPNCPX-OCCSQVGLSA-N -1 3 362.430 0.950 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CCNC(=O)C[C@H]1CCOC1 ZINC001291588370 1262562666 /nfs/dbraw/zinc/56/26/66/1262562666.db2.gz SJUJUOKTCARUCK-MGPQQGTHSA-N -1 3 362.430 0.823 10 0 FCAEHM CNC(=O)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(=O)[n-]c(C3CC3)n1)C2 ZINC001292133851 1262651273 /nfs/dbraw/zinc/65/12/73/1262651273.db2.gz ZXCILNOIUJUKHD-WZRBSPASSA-N -1 3 373.413 0.057 10 0 FCAEHM CCOC(Cn1ncc(C(=O)NCCc2c(C)[n-][nH]c2=O)c1N)OCC ZINC001292969249 1262706676 /nfs/dbraw/zinc/70/66/76/1262706676.db2.gz FEFIQVOQLWXIQF-LLVKDONJSA-N -1 3 366.422 0.106 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@]1(C)CCN(C(=O)[C@]23C[C@H]2COC3)C1 ZINC001299619087 1262970946 /nfs/dbraw/zinc/97/09/46/1262970946.db2.gz PSKBBAOMWTVDHX-IGNZVWTISA-N -1 3 360.414 0.496 10 0 FCAEHM C[C@H](C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1)N1C(=O)NC2(CCCC2)C1=O ZINC001300193355 1262985257 /nfs/dbraw/zinc/98/52/57/1262985257.db2.gz JSUVGPPJCBLJGZ-MNOVXSKESA-N -1 3 361.402 0.684 10 0 FCAEHM O=C(NCc1ccc(CN2C(=O)CNC2=O)cc1)c1cccc2n[n-]nc21 ZINC001302651642 1263054205 /nfs/dbraw/zinc/05/42/05/1263054205.db2.gz LGQGRCWUHYKKTM-UHFFFAOYSA-N -1 3 364.365 0.940 10 0 FCAEHM O=C(NCc1cnc2n1CCCC2)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001478613014 1263138433 /nfs/dbraw/zinc/13/84/33/1263138433.db2.gz MVAFVPAQWPPQSE-GFCCVEGCSA-N -1 3 357.418 0.793 10 0 FCAEHM CCOC(=O)C1=CC[C@H](NC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)C1 ZINC001478972987 1263156709 /nfs/dbraw/zinc/15/67/09/1263156709.db2.gz LCTSXFJXNFZVHQ-QWHCGFSZSA-N -1 3 361.402 0.712 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N[C@@H]1CCN(C2CCC2)C1=O ZINC001479065871 1263162142 /nfs/dbraw/zinc/16/21/42/1263162142.db2.gz PBPOIBRMZKVYPB-DGCLKSJQSA-N -1 3 360.418 0.214 10 0 FCAEHM Cc1ccccc1C[C@H](CO)NC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001479509498 1263235157 /nfs/dbraw/zinc/23/51/57/1263235157.db2.gz SKFLUJKNBMSBHP-JKSUJKDBSA-N -1 3 371.441 0.972 10 0 FCAEHM CN(CCNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)C(=O)[C@]12C[C@H]1CCC2 ZINC001496342164 1263874688 /nfs/dbraw/zinc/87/46/88/1263874688.db2.gz BKBJLFIICXBSLH-CWTRNNRKSA-N -1 3 355.394 0.949 10 0 FCAEHM COc1ccc([C@@H]2C[C@H]2C(=O)N[C@H](C)CNCc2nc(=O)n(C)[n-]2)cc1 ZINC001321673248 1264030877 /nfs/dbraw/zinc/03/08/77/1264030877.db2.gz FEPAMZYDZCWWSN-BYCMXARLSA-N -1 3 359.430 0.515 10 0 FCAEHM C[C@](CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)(NC(=O)c1cnc[n-]c1=O)C1CC1 ZINC001499651436 1264039534 /nfs/dbraw/zinc/03/95/34/1264039534.db2.gz MUQPIHHGLOUDIR-SEDUGSJDSA-N -1 3 370.413 0.724 10 0 FCAEHM CN(CCCN(C)C(=O)[C@]12CCC[C@H]1OCC2)Cc1nc(=O)n(C)[n-]1 ZINC001502353831 1264168033 /nfs/dbraw/zinc/16/80/33/1264168033.db2.gz ZMFNYGCGANOMCT-DYVFJYSZSA-N -1 3 351.451 0.348 10 0 FCAEHM CCc1[nH]c(=O)n(-c2cccc(NC(=O)Cc3[nH]c(O)nc3O)c2)c1[O-] ZINC001322445576 1264197581 /nfs/dbraw/zinc/19/75/81/1264197581.db2.gz DLKHWMSFNOZRPL-MNOVXSKESA-N -1 3 359.342 0.058 10 0 FCAEHM CN(C[C@@H](O)CNCc1nc(=O)n(C)[n-]1)C(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001507478580 1264362630 /nfs/dbraw/zinc/36/26/30/1264362630.db2.gz KNTZYVHPHCYUDJ-RWMBFGLXSA-N -1 3 353.467 0.090 10 0 FCAEHM C[C@H](CN(C)C(=O)c1cnc[n-]c1=O)NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001510625153 1264506887 /nfs/dbraw/zinc/50/68/87/1264506887.db2.gz HQFPRDAEMKKGLA-KGYLQXTDSA-N -1 3 358.402 0.296 10 0 FCAEHM CCOC[C@H](C)NC(=O)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001323950724 1264546772 /nfs/dbraw/zinc/54/67/72/1264546772.db2.gz GTYUTNXMLPRARC-ZDUSSCGKSA-N -1 3 363.414 0.218 10 0 FCAEHM Cn1cc([C@@H]2C[C@H]2C(=O)N2CC[C@@](C)(CNCc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001324789659 1264700922 /nfs/dbraw/zinc/70/09/22/1264700922.db2.gz NVNLEKVFZCNPAU-AHIWAGSCSA-N -1 3 359.434 0.376 10 0 FCAEHM CCOCC(=O)N[C@@H]1CN(C(=O)Cc2c(C)nc(C)[n-]c2=O)C[C@H]1C ZINC001513126687 1264926250 /nfs/dbraw/zinc/92/62/50/1264926250.db2.gz KCPFAVVNKPODJR-QMTHXVAHSA-N -1 3 350.419 0.341 10 0 FCAEHM COCCC1(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3c(C)nc[n-]c3=O)C2)CC1 ZINC001513280398 1265014841 /nfs/dbraw/zinc/01/48/41/1265014841.db2.gz QQOVNFKTZNDVLI-DGCLKSJQSA-N -1 3 362.430 0.884 10 0 FCAEHM CC[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2cc(=O)c3ccccc3[n-]2)C[C@@H]1O ZINC001513452761 1265129496 /nfs/dbraw/zinc/12/94/96/1265129496.db2.gz YGXPBAGOHTULFZ-CXMBCZLWSA-N -1 3 357.410 0.876 10 0 FCAEHM CO[C@@H](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)c2cn[n-]n2)CC1 ZINC001333492812 1266613268 /nfs/dbraw/zinc/61/32/68/1266613268.db2.gz FLCOEHCNYQPANO-GHJWDPDVSA-N -1 3 365.434 0.356 10 0 FCAEHM O=c1o[n-]cc1-c1nnc(N2CCN(C3CC3)CC2)n1C[C@H]1CCOC1 ZINC001526112222 1266782724 /nfs/dbraw/zinc/78/27/24/1266782724.db2.gz ZDPQAEJGDYFMTI-GFCCVEGCSA-N -1 3 360.418 0.960 10 0 FCAEHM O=C(C[C@H]1CCNC1=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001526511956 1266813804 /nfs/dbraw/zinc/81/38/04/1266813804.db2.gz QBHATZOOXHUWFT-MRVPVSSYSA-N -1 3 365.864 0.322 10 0 FCAEHM CCN(CCNC(=O)[C@@H]1C[C@H]1c1cncn1C)C(=O)c1cnc[n-]c1=O ZINC001529122497 1267031388 /nfs/dbraw/zinc/03/13/88/1267031388.db2.gz QGQDTCRTCHGDFD-VXGBXAGGSA-N -1 3 358.402 0.298 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CC[C@H]1[C@@H]1CCCOC1 ZINC001529370843 1267058552 /nfs/dbraw/zinc/05/85/52/1267058552.db2.gz ZRLKEVNKTPWHOB-KOLCDFICSA-N -1 3 372.219 0.739 10 0 FCAEHM O=C(NCCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CC1)c1cnc[n-]c1=O ZINC001529787625 1267077169 /nfs/dbraw/zinc/07/71/69/1267077169.db2.gz NAFWQTZMRUVISZ-MIBAYGRRSA-N -1 3 358.398 0.326 10 0 FCAEHM CC[C@H](CNC(=O)[C@]12C[C@H]1COC2)NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001531242288 1267129035 /nfs/dbraw/zinc/12/90/35/1267129035.db2.gz UFCHQDZJXJXMEW-CRTZDJKQSA-N -1 3 371.393 0.231 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC001542268169 1267492934 /nfs/dbraw/zinc/49/29/34/1267492934.db2.gz NDHUEFCKVSWMCE-GFCCVEGCSA-N -1 3 367.427 0.671 10 0 FCAEHM O=C(CCCn1c(=O)[n-][nH]c1=O)NC1CCN(Cc2ccncc2)CC1 ZINC001544727945 1267590725 /nfs/dbraw/zinc/59/07/25/1267590725.db2.gz HDZMLBXYRWIXLX-UHFFFAOYSA-N -1 3 360.418 0.645 10 0 FCAEHM C[C@@H](NC(=O)Cn1cnnn1)C(=O)Nc1cc(Br)ccc1[O-] ZINC001556082935 1268810518 /nfs/dbraw/zinc/81/05/18/1268810518.db2.gz JMUPZLQOPHATHI-SSDOTTSWSA-N -1 3 369.179 0.285 10 0 FCAEHM O=C(c1ccc(C[C@H]2CC(=O)NC2=O)cc1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001557317073 1268942669 /nfs/dbraw/zinc/94/26/69/1268942669.db2.gz BGKJPRXPPAFQLX-KBPBESRZSA-N -1 3 368.393 0.950 10 0 FCAEHM COC(=O)[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)[C@H]1CCC[C@H](OC)C1 ZINC001557327703 1268943564 /nfs/dbraw/zinc/94/35/64/1268943564.db2.gz FNLUYXNEAQEPHT-VHRBIJSZSA-N -1 3 374.401 0.738 10 0 FCAEHM COC(=O)[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)[C@H]1CCC[C@H](OC)C1 ZINC001557327703 1268943566 /nfs/dbraw/zinc/94/35/66/1268943566.db2.gz FNLUYXNEAQEPHT-VHRBIJSZSA-N -1 3 374.401 0.738 10 0 FCAEHM NS(=O)(=O)Cc1ccc(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)cc1 ZINC001557320052 1268943634 /nfs/dbraw/zinc/94/36/34/1268943634.db2.gz FWBWCHHDKQOSAK-UHFFFAOYSA-N -1 3 354.413 0.189 10 0 FCAEHM CS(=O)(=O)c1cc(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)ccc1F ZINC001557322073 1268944148 /nfs/dbraw/zinc/94/41/48/1268944148.db2.gz VLNLJLZEIKSELL-UHFFFAOYSA-N -1 3 357.388 0.944 10 0 FCAEHM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1ccc(-n2ccnc2)nc1 ZINC001558048324 1269012146 /nfs/dbraw/zinc/01/21/46/1269012146.db2.gz HHDJANAMKAVMRI-UHFFFAOYSA-N -1 3 352.354 0.766 10 0 FCAEHM Cn1nc(C(F)(F)F)cc1C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001558049988 1269014995 /nfs/dbraw/zinc/01/49/95/1269014995.db2.gz ZRUUOSKPLNCHJH-UHFFFAOYSA-N -1 3 357.292 0.937 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)c3cc(Cn4cccn4)on3)CC2)n1 ZINC001558399506 1269084317 /nfs/dbraw/zinc/08/43/17/1269084317.db2.gz QLBDFQARWJOMEU-UHFFFAOYSA-N -1 3 369.385 0.686 10 0 FCAEHM C[C@@H](CC(=O)NCc1cn(C)cn1)[N-]S(=O)(=O)c1cccnc1Cl ZINC001558759069 1269137327 /nfs/dbraw/zinc/13/73/27/1269137327.db2.gz INMCHHOPZUHXFW-JTQLQIEISA-N -1 3 371.850 0.842 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)c2nn(C)c(C)c2Br)[n-]1 ZINC001558965819 1269155032 /nfs/dbraw/zinc/15/50/32/1269155032.db2.gz KVYFCAODQRUOTQ-UHFFFAOYSA-N -1 3 371.195 0.716 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1nccn2c(Br)cnc12 ZINC001565612450 1269482341 /nfs/dbraw/zinc/48/23/41/1269482341.db2.gz PGYOLNBDHAOFSG-MRVPVSSYSA-N -1 3 365.191 0.734 10 0 FCAEHM CCN1CCN([C@@H](C)CNC(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)CC1 ZINC001565618111 1269483857 /nfs/dbraw/zinc/48/38/57/1269483857.db2.gz LFYGQBDVTKLBAI-ZDUSSCGKSA-N -1 3 374.445 0.022 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)CCN1C/C=C\Cl ZINC001566024325 1269561236 /nfs/dbraw/zinc/56/12/36/1269561236.db2.gz ZWSGYLRSAKPMKD-SRGUYAIJSA-N -1 3 354.838 0.648 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)c1 ZINC001566420253 1269643246 /nfs/dbraw/zinc/64/32/46/1269643246.db2.gz PALNIMZBPWPDQJ-LLVKDONJSA-N -1 3 367.427 0.528 10 0 FCAEHM CCOC(=O)c1cc(NC(=O)[C@@H]2CCC(=O)N(c3cnn(C)c3)C2)[n-]n1 ZINC001567160390 1269679668 /nfs/dbraw/zinc/67/96/68/1269679668.db2.gz QISSLJUQXQFEQQ-SNVBAGLBSA-N -1 3 360.374 0.702 10 0 FCAEHM CCOC(=O)c1cc(NC(=O)[C@@H]2CCC(=O)N(c3cnn(C)c3)C2)n[n-]1 ZINC001567160390 1269679675 /nfs/dbraw/zinc/67/96/75/1269679675.db2.gz QISSLJUQXQFEQQ-SNVBAGLBSA-N -1 3 360.374 0.702 10 0 FCAEHM COc1cccc([C@@H]2C[C@H]2C(=O)NC/C=C\CNCc2nc(=O)n(C)[n-]2)c1 ZINC001568932105 1269754866 /nfs/dbraw/zinc/75/48/66/1269754866.db2.gz NSTHAAYTVMROFW-MYIWKSEUSA-N -1 3 371.441 0.683 10 0 FCAEHM O=C(NCc1nc(C(F)(F)F)n[n-]1)C(=O)N1CC[C@@H](c2ccccn2)C1 ZINC001343345765 1269868358 /nfs/dbraw/zinc/86/83/58/1269868358.db2.gz HNZYMYSVTCEENK-SECBINFHSA-N -1 3 368.319 0.851 10 0 FCAEHM C[C@@H]1CN(C(=O)c2nc[n-]c(=O)c2Br)[C@@H](C)CN1CCO ZINC001570456185 1269883307 /nfs/dbraw/zinc/88/33/07/1269883307.db2.gz GCGRQKKTLHVQFA-BDAKNGLRSA-N -1 3 359.224 0.472 10 0 FCAEHM O=C(N1CCC(OCCCNCc2n[nH]c(=O)[n-]2)CC1)[C@]12C[C@H]1COC2 ZINC001570785562 1269914226 /nfs/dbraw/zinc/91/42/26/1269914226.db2.gz JLMWBKYHZFJZCV-SJCJKPOMSA-N -1 3 365.434 0.034 10 0 FCAEHM CC[C@@H](CC(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@@H]1O)C(C)C ZINC001343600482 1269957753 /nfs/dbraw/zinc/95/77/53/1269957753.db2.gz AQDXNICTTOCFJH-MJBXVCDLSA-N -1 3 364.446 0.864 10 0 FCAEHM C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)N(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC001571873290 1269967701 /nfs/dbraw/zinc/96/77/01/1269967701.db2.gz GAEOVMCTNCFIKF-UHTWSYAYSA-N -1 3 370.409 0.226 10 0 FCAEHM CC[C@H](NC(C)=O)C(=O)N1C[C@H]2CCN(C(=O)c3ccccc3[O-])C[C@H]21 ZINC001343995585 1270071151 /nfs/dbraw/zinc/07/11/51/1270071151.db2.gz MAMGUMVAWQAFAW-VNQPRFMTSA-N -1 3 359.426 0.980 10 0 FCAEHM C[C@]12COC[C@H]1CN(c1nnc(-c3cnc[n-]c3=O)n1C[C@@H]1CCOC1)C2 ZINC001344183871 1270110014 /nfs/dbraw/zinc/11/00/14/1270110014.db2.gz NOVZZHRTAZJKHY-JCGVRSQUSA-N -1 3 372.429 0.950 10 0 FCAEHM C[C@@H]1CN(C(=O)CCCn2cccn2)C[C@H]1NC(=O)c1cnc[n-]c1=O ZINC001572902353 1270326101 /nfs/dbraw/zinc/32/61/01/1270326101.db2.gz AYWHUWCNXSREJL-TZMCWYRMSA-N -1 3 358.402 0.436 10 0 FCAEHM C[C@H](CC(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccccc2[O-])C1)NC(N)=O ZINC001573160154 1270620791 /nfs/dbraw/zinc/62/07/91/1270620791.db2.gz XTIPTARAGHLVEJ-FRRDWIJNSA-N -1 3 362.430 0.854 10 0 FCAEHM O=C(COc1cccnc1)N[C@@H]1CC[C@H](CNC(=O)c2cnc[n-]c2=O)C1 ZINC001573181493 1270641274 /nfs/dbraw/zinc/64/12/74/1270641274.db2.gz UCRXEDRRHUUXHA-QWHCGFSZSA-N -1 3 371.397 0.671 10 0 FCAEHM CC1(C(=O)NCc2nc(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)cc(=O)[n-]2)CC1 ZINC001573248961 1270709272 /nfs/dbraw/zinc/70/92/72/1270709272.db2.gz KNAYYJOWKAZOLM-CRQFQMBKSA-N -1 3 372.425 0.638 10 0 FCAEHM CCOCC(=O)N[C@H]1CCN(C(=O)Cc2c(C)nc(C)[n-]c2=O)[C@@H]1C ZINC001573438597 1270776780 /nfs/dbraw/zinc/77/67/80/1270776780.db2.gz MMZIPRLSACLGLE-RISCZKNCSA-N -1 3 350.419 0.484 10 0 FCAEHM COC[C@H](C)C(=O)N1CC[C@H](NC(=O)Cc2c(C)nc(C)[n-]c2=O)[C@H]1C ZINC001573498024 1270795653 /nfs/dbraw/zinc/79/56/53/1270795653.db2.gz AKPKCWAZUJTWNF-NVBFEUDRSA-N -1 3 364.446 0.730 10 0 FCAEHM C[C@@]12CN(C(=O)CCNC(N)=O)C[C@@H]1CN(C(=O)c1ccccc1[O-])C2 ZINC001573702968 1270853964 /nfs/dbraw/zinc/85/39/64/1270853964.db2.gz FQUTUVOBTPUXBJ-XIKOKIGWSA-N -1 3 360.414 0.371 10 0 FCAEHM Cc1cnccc1CC(=O)NC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001573841839 1270902279 /nfs/dbraw/zinc/90/22/79/1270902279.db2.gz CFOKSGRRYIDEOH-UKRRQHHQSA-N -1 3 369.425 0.953 10 0 FCAEHM CC(=O)NCC(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2cn[n-]n2)C1 ZINC001574658998 1271459170 /nfs/dbraw/zinc/45/91/70/1271459170.db2.gz KBTTZTXDPTWQAH-SJCJKPOMSA-N -1 3 362.434 0.078 10 0 FCAEHM CN(CCCNC(=O)[C@@H]1C[C@H]1c1ccncc1)C(=O)c1cnc[n-]c1=O ZINC001577082929 1274142252 /nfs/dbraw/zinc/14/22/52/1274142252.db2.gz CKAQAHAHISGWNT-UONOGXRCSA-N -1 3 355.398 0.959 10 0 FCAEHM NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](CNC(=O)c2ccccc2[O-])C2CC2)C1 ZINC001578116566 1275418301 /nfs/dbraw/zinc/41/83/01/1275418301.db2.gz FKKKRTCRMVXFHR-IPYPFGDCSA-N -1 3 359.426 0.918 10 0 FCAEHM C[C@]1(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)Oc2ccccc2NC1=O ZINC001603292290 1287347732 /nfs/dbraw/zinc/34/77/32/1287347732.db2.gz PEDUIQXIBGMUAD-ADLMAVQZSA-N -1 3 369.381 0.667 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cccc(-n2cnnn2)c1 ZINC001603293786 1287348260 /nfs/dbraw/zinc/34/82/60/1287348260.db2.gz YPUDOZKZQLUMKY-LBPRGKRZSA-N -1 3 352.358 0.167 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@@H](C)N(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001718193119 1287471950 /nfs/dbraw/zinc/47/19/50/1287471950.db2.gz HXVPLKJBWFSNBB-KEFKHEOASA-N -1 3 360.414 0.491 10 0 FCAEHM CS(=O)(=O)N1CCC(CC(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)CC1 ZINC001583359092 1282082830 /nfs/dbraw/zinc/08/28/30/1282082830.db2.gz XOUVXSOKYWOTAF-LBPRGKRZSA-N -1 3 356.448 0.493 10 0 FCAEHM O=C(CCN1C(=O)NC2(CCCC2)C1=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001583364548 1282083956 /nfs/dbraw/zinc/08/39/56/1282083956.db2.gz SCRYFJBDDSYQRV-UHFFFAOYSA-N -1 3 365.415 0.342 10 0 FCAEHM Cc1cc(=O)[n-]c(CNC(=O)[C@@H](C)[C@@H](O)CN(C)C(=O)OC(C)(C)C)n1 ZINC001631852386 1282126921 /nfs/dbraw/zinc/12/69/21/1282126921.db2.gz WLLODUSIBNRRFT-RYUDHWBXSA-N -1 3 368.434 0.971 10 0 FCAEHM CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1c(C)[n-][nH]c1=O ZINC001585163935 1282206837 /nfs/dbraw/zinc/20/68/37/1282206837.db2.gz UQUBBJOGINLNBN-CABCVRRESA-N -1 3 360.414 0.972 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C1(CNC(=O)OC(C)(C)C)CC(O)C1 ZINC001585163948 1282207135 /nfs/dbraw/zinc/20/71/35/1282207135.db2.gz VBXBYPXLWBPZQU-JKGQDXBKSA-N -1 3 368.434 0.280 10 0 FCAEHM O=C(CN1CCCC2(CC2)S1(=O)=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC001633577346 1282256264 /nfs/dbraw/zinc/25/62/64/1282256264.db2.gz FTBLSTATXXDMHG-UHFFFAOYSA-N -1 3 367.353 0.398 10 0 FCAEHM CNC(=O)CCNC(=O)c1c(C)oc2[n-]c(=O)n(-c3ccccc3)c(=O)c21 ZINC001633873493 1282279820 /nfs/dbraw/zinc/27/98/20/1282279820.db2.gz OFWLQVPXMJZNSR-UHFFFAOYSA-N -1 3 370.365 0.859 10 0 FCAEHM CSCC[C@@H](NC(=O)c1ccco1)C(=O)NCCCc1c[n-][nH]c1=O ZINC001634138737 1282303278 /nfs/dbraw/zinc/30/32/78/1282303278.db2.gz MALRVBZHJSSKRH-VXGBXAGGSA-N -1 3 366.443 0.759 10 0 FCAEHM CN(C[C@H](O)CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)C(=O)c1cnc[n-]c1=O ZINC001718765740 1287563085 /nfs/dbraw/zinc/56/30/85/1287563085.db2.gz UXZJUYSUGDBNMY-XJFOESAGSA-N -1 3 360.414 0.334 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)Cc2cccnc2Br)n[n-]1 ZINC001634253687 1282313706 /nfs/dbraw/zinc/31/37/06/1282313706.db2.gz NVIYOYQPNKZPHQ-UHFFFAOYSA-N -1 3 354.164 0.859 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)[C@H](C)[C@H](C)S(C)(=O)=O)CC2)n1 ZINC001634977978 1282368418 /nfs/dbraw/zinc/36/84/18/1282368418.db2.gz QHBQNHXMFQWOBK-NEPJUHHUSA-N -1 3 356.448 0.208 10 0 FCAEHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)[C@]1(C)CCCS1(=O)=O ZINC001635007938 1282373223 /nfs/dbraw/zinc/37/32/23/1282373223.db2.gz ZAHRDNRSUVXXCI-GDLVEWKHSA-N -1 3 369.443 0.834 10 0 FCAEHM CCc1noc(COCC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)n1 ZINC001635658156 1282423408 /nfs/dbraw/zinc/42/34/08/1282423408.db2.gz JNVVTMZVDKRNCQ-UHFFFAOYSA-N -1 3 374.397 0.839 10 0 FCAEHM O=C(c1nc[n-]c(=O)c1Br)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC001635982218 1282449011 /nfs/dbraw/zinc/44/90/11/1282449011.db2.gz RKFMHPWFVWVDFM-RKDXNWHRSA-N -1 3 357.208 0.226 10 0 FCAEHM O=C(NC1(c2ncon2)CC1)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001636060931 1282457233 /nfs/dbraw/zinc/45/72/33/1282457233.db2.gz YZWUZONBXCTAPT-UHFFFAOYSA-N -1 3 357.301 0.676 10 0 FCAEHM O=C(NC1(c2ncon2)CC1)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001636060931 1282457237 /nfs/dbraw/zinc/45/72/37/1282457237.db2.gz YZWUZONBXCTAPT-UHFFFAOYSA-N -1 3 357.301 0.676 10 0 FCAEHM COC(=O)c1cc(NC(=O)[C@@]2(OC)CCS(=O)(=O)C2)c([O-])c(OC)c1 ZINC001636737912 1282532399 /nfs/dbraw/zinc/53/23/99/1282532399.db2.gz GYDDFFKVSJWUFE-OAHLLOKOSA-N -1 3 373.383 0.330 10 0 FCAEHM Cc1nn(C)cc1C1=NO[C@@H](C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)C1 ZINC001636855837 1282542772 /nfs/dbraw/zinc/54/27/72/1282542772.db2.gz SSTBXLWEEXQGPK-SMDDNHRTSA-N -1 3 371.401 0.112 10 0 FCAEHM Cc1nnnn1-c1ccc(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1 ZINC001636854414 1282542790 /nfs/dbraw/zinc/54/27/90/1282542790.db2.gz ANNPBXQYFJALPS-CYBMUJFWSA-N -1 3 366.385 0.475 10 0 FCAEHM O=C(NCCCc1cc(=O)[nH][n-]1)[C@H](O)[C@](O)(c1ccccc1)C(F)(F)F ZINC001637041732 1282553403 /nfs/dbraw/zinc/55/34/03/1282553403.db2.gz RGTQHKKXAVVBFN-DZGCQCFKSA-N -1 3 373.331 0.570 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)CN3CCCCC(=O)C3=O)cc2n(C)c1=O ZINC001638214466 1282675634 /nfs/dbraw/zinc/67/56/34/1282675634.db2.gz NKMADAFCDNIOAD-UHFFFAOYSA-N -1 3 360.370 0.103 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)[C@@H]2C[C@@H](c3ccccc3)OC2=O)[n-]1 ZINC001638577556 1282707236 /nfs/dbraw/zinc/70/72/36/1282707236.db2.gz DELZWFVVVDEHBP-RYUDHWBXSA-N -1 3 358.354 0.902 10 0 FCAEHM CCOC(=O)c1nc(CNC(=O)[C@@H]2C[C@@H](c3ccccc3)OC2=O)n[n-]1 ZINC001638577556 1282707246 /nfs/dbraw/zinc/70/72/46/1282707246.db2.gz DELZWFVVVDEHBP-RYUDHWBXSA-N -1 3 358.354 0.902 10 0 FCAEHM Cc1cccc(NCCNC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)n1 ZINC001638621431 1282710311 /nfs/dbraw/zinc/71/03/11/1282710311.db2.gz QFXKNEUQIBBYKS-ZDUSSCGKSA-N -1 3 357.418 0.876 10 0 FCAEHM CCn1c(C)cc2n[n-]c(NC(=O)c3cn(C[C@@H]4CCOC4)nn3)c2c1=O ZINC001638834647 1282725540 /nfs/dbraw/zinc/72/55/40/1282725540.db2.gz KWJAFUGEZBUGKO-NSHDSACASA-N -1 3 371.401 0.933 10 0 FCAEHM C[C@](O)(CNC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccccc1 ZINC001638865609 1282728639 /nfs/dbraw/zinc/72/86/39/1282728639.db2.gz VQMSEYNKGZLOQX-KSSFIOAISA-N -1 3 357.414 0.968 10 0 FCAEHM COCC[C@]1(NC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)CCOC1 ZINC001638865585 1282728930 /nfs/dbraw/zinc/72/89/30/1282728930.db2.gz VACWDSWYEYZZOS-WBMJQRKESA-N -1 3 351.407 0.256 10 0 FCAEHM C[C@@](O)(CNC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccccc1 ZINC001638865607 1282729011 /nfs/dbraw/zinc/72/90/11/1282729011.db2.gz VQMSEYNKGZLOQX-KBXCAEBGSA-N -1 3 357.414 0.968 10 0 FCAEHM O=C(Cn1cnc(-c2ccccc2)cc1=O)N1CCc2nc[n-]c(=O)c2C1 ZINC001638903911 1282733371 /nfs/dbraw/zinc/73/33/71/1282733371.db2.gz SKNSRJITANKLPU-UHFFFAOYSA-N -1 3 363.377 0.991 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NCC1(C2(O)CCC2)CC1 ZINC001639093300 1282745704 /nfs/dbraw/zinc/74/57/04/1282745704.db2.gz XACUMFKZIGUAPI-UHFFFAOYSA-N -1 3 357.432 0.381 10 0 FCAEHM C[C@@H](CC(=O)NC[C@H]1CNC(=O)C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC001639187175 1282757083 /nfs/dbraw/zinc/75/70/83/1282757083.db2.gz PJFOFESAJGOMTQ-UWVGGRQHSA-N -1 3 374.850 0.044 10 0 FCAEHM Cc1cc(=O)[n-]c(CNC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)n1 ZINC001639657032 1282804116 /nfs/dbraw/zinc/80/41/16/1282804116.db2.gz MWCVYJZENCSLIE-SFHVURJKSA-N -1 3 369.381 0.574 10 0 FCAEHM COC(=O)c1cc(NC(=O)CN2CCCCC(=O)C2=O)c([O-])c(OC)c1 ZINC001640003519 1282830893 /nfs/dbraw/zinc/83/08/93/1282830893.db2.gz ILHDINDTADQNKP-UHFFFAOYSA-N -1 3 364.354 0.708 10 0 FCAEHM CN1C(=O)CN(CC(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)C1=O ZINC001640048321 1282836759 /nfs/dbraw/zinc/83/67/59/1282836759.db2.gz GNVIGJRLVICBLA-UHFFFAOYSA-N -1 3 371.353 0.599 10 0 FCAEHM CN1C(=O)CN(CC(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)C1=O ZINC001640048321 1282836771 /nfs/dbraw/zinc/83/67/71/1282836771.db2.gz GNVIGJRLVICBLA-UHFFFAOYSA-N -1 3 371.353 0.599 10 0 FCAEHM CC(C)n1cnnc1SCC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001640104522 1282837572 /nfs/dbraw/zinc/83/75/72/1282837572.db2.gz GDCJCOSOFHHLOE-NSHDSACASA-N -1 3 363.447 0.842 10 0 FCAEHM Cn1nc(-c2ccncc2)cc1C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001640110586 1282838835 /nfs/dbraw/zinc/83/88/35/1282838835.db2.gz TVFMWDORIKRRNR-ZDUSSCGKSA-N -1 3 365.397 0.986 10 0 FCAEHM CS(=O)(=O)c1cc(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)co1 ZINC001640109978 1282839043 /nfs/dbraw/zinc/83/90/43/1282839043.db2.gz LICFZRAFPLALTQ-SNVBAGLBSA-N -1 3 352.372 0.187 10 0 FCAEHM CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[C@H](C)CNC(=O)c1c(C)nc[n-]c1=O ZINC001718958427 1287601097 /nfs/dbraw/zinc/60/10/97/1287601097.db2.gz WYRMOOYCWZBAHW-KTUBUYFOSA-N -1 3 374.441 0.881 10 0 FCAEHM C[C@@]1(C[C@H]2CCCN2C(=O)c2cc(=O)[n-]c(C3CC3)n2)NC(=O)NC1=O ZINC001640482986 1282866449 /nfs/dbraw/zinc/86/64/49/1282866449.db2.gz FGAJVPFHKLOHKH-QGHHPUGFSA-N -1 3 359.386 0.652 10 0 FCAEHM CC(C)(C)OC(=O)N1CCCO[C@H](CNC(=O)c2cnncc2[O-])C1 ZINC001640585280 1282878685 /nfs/dbraw/zinc/87/86/85/1282878685.db2.gz OCUGFTJRWVRINK-LLVKDONJSA-N -1 3 352.391 0.938 10 0 FCAEHM CS(=O)(=O)NCc1ccc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)o1 ZINC001640594295 1282879512 /nfs/dbraw/zinc/87/95/12/1282879512.db2.gz DDIMQEYWZDUFQL-VIFPVBQESA-N -1 3 354.388 0.387 10 0 FCAEHM O=C(c1ccc2c(c1)NC(=O)CNC2=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001640595517 1282879909 /nfs/dbraw/zinc/87/99/09/1282879909.db2.gz UXBZKPNMMBKKDT-JTQLQIEISA-N -1 3 355.354 0.427 10 0 FCAEHM CCOC(Cn1ncc(C(=O)NCc2nc(C)cc(=O)[n-]2)c1N)OCC ZINC001640617447 1282882691 /nfs/dbraw/zinc/88/26/91/1282882691.db2.gz JWQNDOWBKYVRFW-UHFFFAOYSA-N -1 3 364.406 0.598 10 0 FCAEHM C[C@@H]1C(=O)N([N-]C(=O)c2ccc(S(=O)(=O)C3CC3)cc2)C(=O)N1C ZINC001641849773 1282975772 /nfs/dbraw/zinc/97/57/72/1282975772.db2.gz UPTKPYLPDNHDLI-SECBINFHSA-N -1 3 351.384 0.550 10 0 FCAEHM CCC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c(C)nc[n-]c2=O)C1)C(C)C ZINC001682605744 1283712706 /nfs/dbraw/zinc/71/27/06/1283712706.db2.gz BRBMSPPYZZYHCD-MGPQQGTHSA-N -1 3 364.446 0.864 10 0 FCAEHM CO[C@@H](CC(C)C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001682937810 1283807308 /nfs/dbraw/zinc/80/73/08/1283807308.db2.gz GITYEYFUZGBOQM-BNOWGMLFSA-N -1 3 350.419 0.820 10 0 FCAEHM CO[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1NC(=O)CCc1ccccn1 ZINC001683257636 1283916571 /nfs/dbraw/zinc/91/65/71/1283916571.db2.gz KYYJAHLJLRBZTF-HUUCEWRRSA-N -1 3 371.397 0.166 10 0 FCAEHM C[C@H](CC(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@@H]1O)c1ccncc1 ZINC001683546875 1284027380 /nfs/dbraw/zinc/02/73/80/1284027380.db2.gz PFSRFMFIUCAKED-DFBGVHRSSA-N -1 3 371.397 0.073 10 0 FCAEHM COC[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1c(C)nc[n-]c1=O ZINC001683933140 1284130918 /nfs/dbraw/zinc/13/09/18/1284130918.db2.gz XZGAEEMGDNOUJY-RAIGVLPGSA-N -1 3 350.419 0.930 10 0 FCAEHM C[C@H](NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)C1N=NC(=O)N1C ZINC001684241291 1284148871 /nfs/dbraw/zinc/14/88/71/1284148871.db2.gz CCKHDTVKYLCUTH-NSHDSACASA-N -1 3 374.401 0.455 10 0 FCAEHM O=C(CCOC[C@H]1CCCO1)NC[C@H]1CC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC001684473516 1284183343 /nfs/dbraw/zinc/18/33/43/1284183343.db2.gz SDAIUCVMEYUSCD-BFHYXJOUSA-N -1 3 365.434 0.405 10 0 FCAEHM CCNC(=O)CC(=O)N[C@@H]1CC[C@H](CNC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001684527539 1284192960 /nfs/dbraw/zinc/19/29/60/1284192960.db2.gz BDUYNCRQAKTYHD-NWDGAFQWSA-N -1 3 363.418 0.032 10 0 FCAEHM COC(=O)NC1CCN(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)CC1 ZINC001684562689 1284202683 /nfs/dbraw/zinc/20/26/83/1284202683.db2.gz WMCQNFUXOGHBKN-LBPRGKRZSA-N -1 3 364.406 0.291 10 0 FCAEHM CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001684563009 1284202926 /nfs/dbraw/zinc/20/29/26/1284202926.db2.gz ZWSCPYKTJJKVHL-JHJVBQTASA-N -1 3 367.450 0.218 10 0 FCAEHM CC/C=C(\C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC001719118918 1287776681 /nfs/dbraw/zinc/77/66/81/1287776681.db2.gz ALHSHCZVSMTEAK-OQNKENJNSA-N -1 3 371.393 0.228 10 0 FCAEHM CCOCC1(C(=O)N2CC[C@@H]3CN(C(=O)c4cnc[n-]c4=O)[C@@H]3C2)CC1 ZINC001702413785 1285655209 /nfs/dbraw/zinc/65/52/09/1285655209.db2.gz SWJKPTRASJOBNP-TZMCWYRMSA-N -1 3 360.414 0.672 10 0 FCAEHM CO[C@H](CC(=O)NC[C@H]1CC[C@@H](NC(=O)c2cn[n-]n2)C1)C(F)(F)F ZINC001702556378 1285723842 /nfs/dbraw/zinc/72/38/42/1285723842.db2.gz CAXVQTHHEFXKMR-IQJOONFLSA-N -1 3 363.340 0.787 10 0 FCAEHM Cc1ccccc1C(=O)NCC(=O)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@H]1C ZINC001702709832 1285808531 /nfs/dbraw/zinc/80/85/31/1285808531.db2.gz JSSTXQDJIZOMIY-OCCSQVGLSA-N -1 3 370.413 0.262 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CNC(=O)COC1CCCC1 ZINC001702786419 1285864003 /nfs/dbraw/zinc/86/40/03/1285864003.db2.gz VEUFRBPFVYICCD-CHWSQXEVSA-N -1 3 362.430 0.966 10 0 FCAEHM CC[C@H](C)OCC(=O)NC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001702790311 1285868278 /nfs/dbraw/zinc/86/82/78/1285868278.db2.gz DXJAVRFUXSOMFX-FRRDWIJNSA-N -1 3 350.419 0.822 10 0 FCAEHM C[C@]1(CNC(=O)c2cnc[n-]c2=O)CN(C(=O)[C@@H]2C[C@H]2C2CC2)CCO1 ZINC001702876332 1285964362 /nfs/dbraw/zinc/96/43/62/1285964362.db2.gz BTBKIEOJTNBYND-JCGVRSQUSA-N -1 3 360.414 0.576 10 0 FCAEHM C[C@H](CNC(=O)[C@]12C[C@H]1CCC2)NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001704047502 1286176900 /nfs/dbraw/zinc/17/69/00/1286176900.db2.gz NFPWYLUNZMENLY-UDTOPMKXSA-N -1 3 355.394 0.995 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)N(C)CCNC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC001704205708 1286194660 /nfs/dbraw/zinc/19/46/60/1286194660.db2.gz FZXTURNYWKDARW-HIFRSBDPSA-N -1 3 364.446 0.731 10 0 FCAEHM CN1CCN(Cc2ccc(NC(=O)CCCn3c(=O)[n-][nH]c3=O)cc2)CC1 ZINC001595667391 1286257940 /nfs/dbraw/zinc/25/79/40/1286257940.db2.gz DTRNWIUITPTJSS-UHFFFAOYSA-N -1 3 374.445 0.856 10 0 FCAEHM COc1ccc([O-])c(C(=O)Nc2cnn(C[C@@H](O)CN(C)OC)c2)c1 ZINC001596308428 1286295184 /nfs/dbraw/zinc/29/51/84/1286295184.db2.gz HYRPELQWHVDCEY-LBPRGKRZSA-N -1 3 350.375 0.704 10 0 FCAEHM CC(C)(C)[N-]S(=O)(=O)c1cnc(NC(=O)C[C@H]2CCNC2=O)s1 ZINC001597071924 1286326664 /nfs/dbraw/zinc/32/66/64/1286326664.db2.gz BPLHXDADXJBMTD-MRVPVSSYSA-N -1 3 360.461 0.685 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001705289080 1286372568 /nfs/dbraw/zinc/37/25/68/1286372568.db2.gz OWJRJXYKMGYSEO-GHMZBOCLSA-N -1 3 356.386 0.396 10 0 FCAEHM CC(C)n1ccc(CC(=O)NC[C@H]2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)n1 ZINC001707112205 1286450747 /nfs/dbraw/zinc/45/07/47/1286450747.db2.gz WBZHWLCXAPJIHQ-QWHCGFSZSA-N -1 3 361.450 0.905 10 0 FCAEHM CCO[C@H](CC)C(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]2C1 ZINC001707210791 1287035127 /nfs/dbraw/zinc/03/51/27/1287035127.db2.gz CKRCQEAZYHZKBA-HZSPNIEDSA-N -1 3 351.451 0.204 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1CCOCC1CCC1 ZINC001707256942 1287108764 /nfs/dbraw/zinc/10/87/64/1287108764.db2.gz OLDMWHBMTQGKCX-PWSUYJOCSA-N -1 3 351.407 0.292 10 0 FCAEHM CC/C=C(\C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nnc3ccccc3c2[O-])C1 ZINC001719136633 1287805384 /nfs/dbraw/zinc/80/53/84/1287805384.db2.gz RPJDKKKTVUWBET-XBJHSPDSSA-N -1 3 370.409 0.993 10 0 FCAEHM CCCCOCC(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1C ZINC001719161906 1287816033 /nfs/dbraw/zinc/81/60/33/1287816033.db2.gz LGKTYIVUSBRIKW-DGCLKSJQSA-N -1 3 350.419 0.884 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1NC(=O)CCOCC(F)F ZINC001719172487 1287825216 /nfs/dbraw/zinc/82/52/16/1287825216.db2.gz HYPLNTQQRJIBML-MWLCHTKSSA-N -1 3 358.345 0.431 10 0 FCAEHM CC[C@H](F)C(=O)N[C@@H]1CN(C(=O)Cc2c(C)nc(C)[n-]c2=O)C[C@H]1OC ZINC001719241175 1287931455 /nfs/dbraw/zinc/93/14/55/1287931455.db2.gz QEOXQRLIJJCPHS-BFHYXJOUSA-N -1 3 368.409 0.432 10 0 FCAEHM C=C/C(C)=C\CC(=O)N1C[C@@H](NC(=O)c2c(C)nc[n-]c2=O)[C@H](OC)C1 ZINC001719242069 1287933548 /nfs/dbraw/zinc/93/35/48/1287933548.db2.gz MXNVTMWRKRRIHC-FLFDDASRSA-N -1 3 360.414 0.969 10 0 FCAEHM O=C(COCC(F)F)N[C@@H]1CCCC[C@H]1NC(=O)c1cnc[n-]c1=O ZINC001719365860 1288111960 /nfs/dbraw/zinc/11/19/60/1288111960.db2.gz MHPFSZXQMDKBOY-GHMZBOCLSA-N -1 3 358.345 0.621 10 0 FCAEHM CCN(CC)CC(=O)NC[C@H]1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001719450879 1288120765 /nfs/dbraw/zinc/12/07/65/1288120765.db2.gz KTPRUXSNKZABNL-QWHCGFSZSA-N -1 3 351.451 0.780 10 0 FCAEHM CC[C@@H](F)C(=O)NCc1nc(CNC(=O)[C@]23C[C@H]2COC3)cc(=O)[n-]1 ZINC001719522945 1288166361 /nfs/dbraw/zinc/16/63/61/1288166361.db2.gz BMLXYHFTDVDDTA-ZXLZKYRFSA-N -1 3 352.366 0.199 10 0 FCAEHM CCCC(=O)NCc1nc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc(=O)[n-]1 ZINC001719522490 1288166543 /nfs/dbraw/zinc/16/65/43/1288166543.db2.gz NIFWNCUCNUSJJS-UOSRWGBYSA-N -1 3 360.414 0.638 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NCc1cc(=O)[n-]c(CNC(=O)C[C@@H](C)OC)n1 ZINC001719522167 1288166605 /nfs/dbraw/zinc/16/66/05/1288166605.db2.gz BECYZNJMANTUME-NQBHXWOUSA-N -1 3 350.419 0.886 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)NC[C@H](NC(=O)c1c(C)nc[n-]c1=O)C1CC1 ZINC001720740720 1288260878 /nfs/dbraw/zinc/26/08/78/1288260878.db2.gz JCEOHCSJYZEJRK-ZLDLUXBVSA-N -1 3 362.430 0.930 10 0 FCAEHM O=C(NC/C=C\CNC(=O)[C@@H]1C[C@H]1c1cccnc1)c1cnc[n-]c1=O ZINC001721877548 1288387969 /nfs/dbraw/zinc/38/79/69/1288387969.db2.gz GZDFTVMTPCCAFJ-CIKQRIOISA-N -1 3 353.382 0.783 10 0 FCAEHM O=C(NCC1(NC(=O)[C@@H]2C[C@H]2C2CCOCC2)CC1)c1cnc[n-]c1=O ZINC001722079915 1288401257 /nfs/dbraw/zinc/40/12/57/1288401257.db2.gz RGJBRKYWWOBVER-QWHCGFSZSA-N -1 3 360.414 0.624 10 0 FCAEHM CC/C=C(/C)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2c(C)nc(C)[n-]c2=O)C1 ZINC001735748275 1288840867 /nfs/dbraw/zinc/84/08/67/1288840867.db2.gz HUEUZOOQBIEBDA-XCTAYMRMSA-N -1 3 362.430 0.386 10 0 FCAEHM COC[C@H](C)CC(=O)N1C[C@@H](CNC(=O)c2cnc[n-]c2=O)[C@H](C)C1 ZINC001736368848 1289287437 /nfs/dbraw/zinc/28/74/37/1289287437.db2.gz BHYUIZRDUORLFT-JHJVBQTASA-N -1 3 350.419 0.679 10 0 FCAEHM COc1cccc([C@@H]2C[C@H]2C(=O)NCCNC(=O)c2cnc[n-]c2=O)c1 ZINC001736769770 1289490712 /nfs/dbraw/zinc/49/07/12/1289490712.db2.gz KXAUQMRBRACDPT-UONOGXRCSA-N -1 3 356.382 0.841 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)NCCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001736967396 1289501341 /nfs/dbraw/zinc/50/13/41/1289501341.db2.gz XQWMRTOEDFYCPZ-NMNMXBMNSA-N -1 3 374.441 0.469 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)C[C@@H](n2cccn2)C(F)(F)F)[n-]1 ZINC001611154032 1289632810 /nfs/dbraw/zinc/63/28/10/1289632810.db2.gz AVJOBSZWLKABDO-MRVPVSSYSA-N -1 3 360.296 0.988 10 0 FCAEHM CCCC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccnn1C)NC(=O)c1cn[n-]n1 ZINC001701282057 1289648410 /nfs/dbraw/zinc/64/84/10/1289648410.db2.gz RKPFLTIVZDDJBS-YNEHKIRRSA-N -1 3 359.434 0.747 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NCCOCCN(C)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001738688763 1289717424 /nfs/dbraw/zinc/71/74/24/1289717424.db2.gz ZJXQOHFZMMKUKS-UONOGXRCSA-N -1 3 362.430 0.742 10 0 FCAEHM O=C(NC[C@H](CO)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)c1cccc2n[n-]nc21 ZINC001738884022 1289745816 /nfs/dbraw/zinc/74/58/16/1289745816.db2.gz GSBSCZCEKNWCER-SFDCQRBFSA-N -1 3 371.441 0.991 10 0 FCAEHM COCC[C@@H](C)C(=O)N1C[C@@H]2CCN(C(=O)c3c(C)nc[n-]c3=O)[C@@H]2C1 ZINC001702145562 1289750527 /nfs/dbraw/zinc/75/05/27/1289750527.db2.gz ANHBHTWUJZZULL-KWCYVHTRSA-N -1 3 362.430 0.836 10 0 FCAEHM O=C(N[C@H](CO)CNC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1)c1cn[n-]n1 ZINC001738895257 1289756034 /nfs/dbraw/zinc/75/60/34/1289756034.db2.gz XTVVPFZUJXDTAH-KFWWJZLASA-N -1 3 357.414 0.596 10 0 FCAEHM O=C(N[C@@H](CCNC(=O)[C@]12C[C@H]1COC2)Cc1ccccc1)c1cn[n-]n1 ZINC001739001009 1289770991 /nfs/dbraw/zinc/77/09/91/1289770991.db2.gz BDGAMSKARYDTDT-DOXZYTNZSA-N -1 3 369.425 0.689 10 0 FCAEHM CCN(CC(=O)N(C)C)C(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001616480468 1289780362 /nfs/dbraw/zinc/78/03/62/1289780362.db2.gz IJSZMMBONLSKIB-UHFFFAOYSA-N -1 3 362.361 0.424 10 0 FCAEHM CCN(CC(=O)N(C)C)C(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001616480468 1289780368 /nfs/dbraw/zinc/78/03/68/1289780368.db2.gz IJSZMMBONLSKIB-UHFFFAOYSA-N -1 3 362.361 0.424 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)[C@@]2(C(=O)OC)C[C@@H]2c2ccccc2)n[n-]1 ZINC001618402903 1289903229 /nfs/dbraw/zinc/90/32/29/1289903229.db2.gz DFBWOZGXSIFGAM-PIGZYNQJSA-N -1 3 358.354 0.806 10 0 FCAEHM C[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1NC(=O)c1cccc2n[n-]nc21 ZINC001702252529 1289915049 /nfs/dbraw/zinc/91/50/49/1289915049.db2.gz SBCJVJABILRIOI-QMTHXVAHSA-N -1 3 370.413 0.061 10 0 FCAEHM CC(C)(CC(F)F)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001739435308 1289980938 /nfs/dbraw/zinc/98/09/38/1289980938.db2.gz PTRPCAXSQUNGKZ-NXEZZACHSA-N -1 3 358.345 0.165 10 0 FCAEHM O=C(CN1CC[C@H](c2nnn[n-]2)C1)N1CCN(c2ccccc2F)CC1 ZINC001620536558 1289998190 /nfs/dbraw/zinc/99/81/90/1289998190.db2.gz YCGWDGOXGIKYIE-ZDUSSCGKSA-N -1 3 359.409 0.477 10 0 FCAEHM O=C(CN1CC[C@H](c2nn[n-]n2)C1)N1CCN(c2ccccc2F)CC1 ZINC001620536558 1289998193 /nfs/dbraw/zinc/99/81/93/1289998193.db2.gz YCGWDGOXGIKYIE-ZDUSSCGKSA-N -1 3 359.409 0.477 10 0 FCAEHM COCCC[C@H](C)C(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@H](OC)C1 ZINC001702313774 1290016779 /nfs/dbraw/zinc/01/67/79/1290016779.db2.gz QPDGIAULRMDQTB-IACUBPJLSA-N -1 3 366.418 0.201 10 0 FCAEHM O=C(CCc1ccccc1)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1O ZINC001739463303 1290042465 /nfs/dbraw/zinc/04/24/65/1290042465.db2.gz NTOXCWMHPVPTFU-HUUCEWRRSA-N -1 3 356.382 0.117 10 0 FCAEHM CO[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1NC(=O)CCCCC(N)=O ZINC001702326498 1290051765 /nfs/dbraw/zinc/05/17/65/1290051765.db2.gz KMWGLVQNYUTKHV-UKRRQHHQSA-N -1 3 363.414 0.394 10 0 FCAEHM CO[C@@H](C)CCC(=O)N1C[C@@H](NC(=O)c2c(C)nc[n-]c2=O)[C@H](OC)C1 ZINC001702331617 1290063131 /nfs/dbraw/zinc/06/31/31/1290063131.db2.gz APHMQGGJAGOXBM-CYZMBNFOSA-N -1 3 366.418 0.261 10 0 FCAEHM C[C@@H](CCNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])[S@](C)=O ZINC001622136144 1290096593 /nfs/dbraw/zinc/09/65/93/1290096593.db2.gz ZNFZTPOYHFZPBY-FORDYWAESA-N -1 3 367.402 0.761 10 0 FCAEHM C[C@@H](CCNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O)[S@](C)=O ZINC001622136144 1290096601 /nfs/dbraw/zinc/09/66/01/1290096601.db2.gz ZNFZTPOYHFZPBY-FORDYWAESA-N -1 3 367.402 0.761 10 0 FCAEHM CC[C@H](O)Cn1cc(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)nn1 ZINC001622312219 1290118507 /nfs/dbraw/zinc/11/85/07/1290118507.db2.gz BLFHROBCOZSXBA-ZDUSSCGKSA-N -1 3 373.413 0.353 10 0 FCAEHM CO[C@@H]1CN(C(=O)C[C@@H](C)SC)C[C@H]1NC(=O)c1c(C)nc[n-]c1=O ZINC001739587462 1290202857 /nfs/dbraw/zinc/20/28/57/1290202857.db2.gz IIYXWWXLXJNIES-YUSALJHKSA-N -1 3 368.459 0.588 10 0 FCAEHM Cn1c(=O)n(C)c2cc(NC(=O)c3cc4n(n3)CCC[C@H]4O)c([O-])cc21 ZINC001625597203 1290354952 /nfs/dbraw/zinc/35/49/52/1290354952.db2.gz YEGLOWYSFWDSDI-CQSZACIVSA-N -1 3 357.370 0.859 10 0 FCAEHM O=C(CCCn1cccn1)N1CC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)[C@@H]2C1 ZINC001739714506 1290381405 /nfs/dbraw/zinc/38/14/05/1290381405.db2.gz PQGHUQNUNNGDDN-UKRRQHHQSA-N -1 3 370.413 0.532 10 0 FCAEHM O=C(N[C@H](CO)CN1CCCCC1)c1nc[n-]c(=O)c1Br ZINC001627303543 1290453799 /nfs/dbraw/zinc/45/37/99/1290453799.db2.gz MAUCTGWOKQRBQO-VIFPVBQESA-N -1 3 359.224 0.521 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NCc1nc(CNC(=O)C[C@@H](C)OC)cc(=O)[n-]1 ZINC001739982379 1290458645 /nfs/dbraw/zinc/45/86/45/1290458645.db2.gz GVANPOWSUZNPHQ-NQBHXWOUSA-N -1 3 350.419 0.886 10 0 FCAEHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)[C@@H]1CNC(=O)C[C@H]1C(F)(F)F ZINC001628259222 1290521551 /nfs/dbraw/zinc/52/15/51/1290521551.db2.gz RFZVGJQQKLWTFA-RNFRBKRXSA-N -1 3 350.322 0.402 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H](C)[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001628274716 1290523047 /nfs/dbraw/zinc/52/30/47/1290523047.db2.gz PAGTZAALDOOJGF-UHTWSYAYSA-N -1 3 370.450 0.479 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)[C@H]2CCCN(CC(F)(F)F)C2=O)n[n-]1 ZINC001628595895 1290543588 /nfs/dbraw/zinc/54/35/88/1290543588.db2.gz KBUYWVRCYBFCNQ-SSDOTTSWSA-N -1 3 363.296 0.260 10 0 FCAEHM CO[C@@H](CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn[n-]n1)C2)C(F)(F)F ZINC001740371861 1290545523 /nfs/dbraw/zinc/54/55/23/1290545523.db2.gz QBOFMTXNCABAPG-HZQMYPQZSA-N -1 3 361.324 0.634 10 0 FCAEHM CCOC(=O)c1nc([C@@H](C)NC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)n[n-]1 ZINC001629029000 1290570088 /nfs/dbraw/zinc/57/00/88/1290570088.db2.gz GYHQYXXIXIGLFN-SKDRFNHKSA-N -1 3 361.406 0.962 10 0 FCAEHM C[C@@H](C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)[C@H](C)S(C)(=O)=O ZINC001629053532 1290573143 /nfs/dbraw/zinc/57/31/43/1290573143.db2.gz FYZCVTMWUVMTLX-BDAKNGLRSA-N -1 3 355.416 0.590 10 0 FCAEHM O=C(Cc1ccccc1S(=O)(=O)C(F)F)NCCCc1c[n-][nH]c1=O ZINC001630630807 1290683383 /nfs/dbraw/zinc/68/33/83/1290683383.db2.gz CLHYAWAAWOXCGN-NSHDSACASA-N -1 3 373.381 0.854 10 0 FCAEHM CCc1cccc(C(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)OC)c1[O-] ZINC001643359440 1290877708 /nfs/dbraw/zinc/87/77/08/1290877708.db2.gz VKUMSXJPBADDQO-GFCCVEGCSA-N -1 3 355.412 0.757 10 0 FCAEHM Cc1oc(C(=O)NCCCc2c[n-][nH]c2=O)cc1S(=O)(=O)N(C)C ZINC001647858279 1291078536 /nfs/dbraw/zinc/07/85/36/1291078536.db2.gz GQAKVSBBHNHZFK-JTQLQIEISA-N -1 3 356.404 0.080 10 0 FCAEHM Cc1ccn(C[C@@](C)(O)C(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)c(=O)c1 ZINC001647878022 1291081095 /nfs/dbraw/zinc/08/10/95/1291081095.db2.gz LZBDDOVLDUDTPR-LKFCYVNXSA-N -1 3 373.335 0.922 10 0 FCAEHM O=C(C[C@H]1C(=O)Nc2c1cccc2Br)NN1CC(=O)[N-]C1=O ZINC001648444914 1291120392 /nfs/dbraw/zinc/12/03/92/1291120392.db2.gz CPDCEEMBUXBMOC-SSDOTTSWSA-N -1 3 367.159 0.458 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)CCN(C)C(=O)OC(C)(C)C)[n-]1 ZINC001650944134 1291188225 /nfs/dbraw/zinc/18/82/25/1291188225.db2.gz SGMIZKLFFVWBJT-UHFFFAOYSA-N -1 3 355.395 0.855 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)[C@]2(C)Oc3ccccc3NC2=O)[n-]1 ZINC001650944146 1291188733 /nfs/dbraw/zinc/18/87/33/1291188733.db2.gz SLIPTVLLAYOBNI-INIZCTEOSA-N -1 3 359.342 0.387 10 0 FCAEHM Cn1ccn2c(CCNC(=O)CCCc3ccc([O-])c(F)c3)nnc2c1=O ZINC001652068467 1291258092 /nfs/dbraw/zinc/25/80/92/1291258092.db2.gz PMJNHOPHJHSFIK-UHFFFAOYSA-N -1 3 373.388 0.954 10 0 FCAEHM CC(C)OC(=O)c1cc(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)[n-]n1 ZINC001652736107 1291296621 /nfs/dbraw/zinc/29/66/21/1291296621.db2.gz BZQMHSZFIHQXPS-JTQLQIEISA-N -1 3 358.420 0.585 10 0 FCAEHM CC(C)OC(=O)c1cc(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)n[n-]1 ZINC001652736107 1291296627 /nfs/dbraw/zinc/29/66/27/1291296627.db2.gz BZQMHSZFIHQXPS-JTQLQIEISA-N -1 3 358.420 0.585 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCC2(OCCO)CCCCC2)c(C)o1 ZINC001653208965 1291327428 /nfs/dbraw/zinc/32/74/28/1291327428.db2.gz JPNZLMNWBSJYFF-UHFFFAOYSA-N -1 3 374.459 0.938 10 0 FCAEHM O=C(Cn1ccc2ccccc2c1=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001653312226 1291334118 /nfs/dbraw/zinc/33/41/18/1291334118.db2.gz FOVPGNZGMNAJLB-CQSZACIVSA-N -1 3 365.393 0.892 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccnc(-n2cncn2)c1 ZINC001653313267 1291336383 /nfs/dbraw/zinc/33/63/83/1291336383.db2.gz STKOHWKAJPDQPY-LBPRGKRZSA-N -1 3 352.358 0.167 10 0 FCAEHM COc1ccc(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1OCCO ZINC001653313946 1291336991 /nfs/dbraw/zinc/33/69/91/1291336991.db2.gz XXNOLYAJZUMKML-ZDUSSCGKSA-N -1 3 374.397 0.571 10 0 FCAEHM COC(=O)CCN1CCC[C@H](N2Cc3nc(C4CC4)[n-]c(=O)c3C2)C1=O ZINC001654688676 1291427242 /nfs/dbraw/zinc/42/72/42/1291427242.db2.gz CMBFRLINAVJISN-AWEZNQCLSA-N -1 3 360.414 0.929 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1 ZINC001654800632 1291436155 /nfs/dbraw/zinc/43/61/55/1291436155.db2.gz OJHMMCGIQOUOSK-IYBDPMFKSA-N -1 3 353.444 0.706 10 0 FCAEHM O=C(CNC(=O)c1ccc([O-])cc1)N1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001654800702 1291436744 /nfs/dbraw/zinc/43/67/44/1291436744.db2.gz PUDGWEFAUHNFRM-OLZOCXBDSA-N -1 3 352.412 0.015 10 0 FCAEHM O=C(CC1CC1)NCc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)n1 ZINC001684815327 1292339710 /nfs/dbraw/zinc/33/97/10/1292339710.db2.gz GZFANXDJVAUYLF-CHWSQXEVSA-N -1 3 370.413 0.742 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)CCOC[C@H]1CCCO1 ZINC001684953831 1292381171 /nfs/dbraw/zinc/38/11/71/1292381171.db2.gz LSYOLCDYTHXPHQ-VNHYZAJKSA-N -1 3 365.434 0.500 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)[C@@H](C)CC(N)=O)CCN1C(=O)c1c(C)nc[n-]c1=O ZINC001684972193 1292387099 /nfs/dbraw/zinc/38/70/99/1292387099.db2.gz DYMWGQNFTBQZSB-ZMLRMANQSA-N -1 3 363.418 0.111 10 0 FCAEHM CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)NCC[C@H]1CNC(=O)C1 ZINC001685123009 1292433776 /nfs/dbraw/zinc/43/37/76/1292433776.db2.gz LTVBJVQZBRDIJD-SNVBAGLBSA-N -1 3 372.422 0.523 10 0 FCAEHM C[C@@H](Cc1c[nH]cn1)C(=O)N[C@H]1CCN(C(=O)c2cnc[n-]c2=O)[C@@H]1C ZINC001685251454 1292469443 /nfs/dbraw/zinc/46/94/43/1292469443.db2.gz FTNOEGZGBNJUPX-WDMOLILDSA-N -1 3 358.402 0.503 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)CCc2cncs2)CCN1C(=O)c1cnc[n-]c1=O ZINC001685393034 1292525719 /nfs/dbraw/zinc/52/57/19/1292525719.db2.gz NTARPWAZRYARMG-MFKMUULPSA-N -1 3 361.427 0.991 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CC[C@@H](C(=O)N2CCCC2)C1 ZINC001685573336 1292562613 /nfs/dbraw/zinc/56/26/13/1292562613.db2.gz DXBNWCMXTGMSIX-ZIAGYGMSSA-N -1 3 374.445 0.415 10 0 FCAEHM COCCOCC(=O)N1C[C@@H](CNC(=O)c2ccccc2[O-])[C@H](C)C1 ZINC001685600907 1292570043 /nfs/dbraw/zinc/57/00/43/1292570043.db2.gz XUFRPGKCHVFXMU-ZIAGYGMSSA-N -1 3 350.415 0.880 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC001685645761 1292582367 /nfs/dbraw/zinc/58/23/67/1292582367.db2.gz YTNSBQAMJWKSAV-FRRDWIJNSA-N -1 3 360.418 0.214 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CCC2=C(CCC(=O)N2)C1 ZINC001685650073 1292582939 /nfs/dbraw/zinc/58/29/39/1292582939.db2.gz XSSAFWOPRAKGMU-LBPRGKRZSA-N -1 3 358.402 0.340 10 0 FCAEHM CCOC(=O)[C@@H](C)C1CN(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)C1 ZINC001685649297 1292583343 /nfs/dbraw/zinc/58/33/43/1292583343.db2.gz GWZRDPFUOVRIFC-WCQYABFASA-N -1 3 363.418 0.602 10 0 FCAEHM COCC1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cn[n-]n2)C3)CCOCC1 ZINC001686047749 1292745573 /nfs/dbraw/zinc/74/55/73/1292745573.db2.gz ZFTYNNMOUFUTRQ-DYEKYZERSA-N -1 3 363.418 0.110 10 0 FCAEHM O=C(NCCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)c1cc(=O)[n-]c(C2CC2)n1 ZINC001686712127 1292950368 /nfs/dbraw/zinc/95/03/68/1292950368.db2.gz RHWAAFJGZYXHDT-SLEUVZQESA-N -1 3 360.414 0.721 10 0 FCAEHM CCOC(OCC)[C@H](C)NC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001687789993 1293014151 /nfs/dbraw/zinc/01/41/51/1293014151.db2.gz RCABDWCHZTWOLC-RYUDHWBXSA-N -1 3 353.423 0.848 10 0 FCAEHM COC(=O)Nc1ccc(C(=O)OCCCN2C(=O)CNC2=O)cc1[O-] ZINC000745651930 836143863 /nfs/dbraw/zinc/14/38/63/836143863.db2.gz BDTGNUYJRXRCDA-UHFFFAOYSA-N -1 3 351.315 0.669 10 0 FCAEHM O=C(CN1CCCC2(CC2)S1(=O)=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001135842496 849202791 /nfs/dbraw/zinc/20/27/91/849202791.db2.gz RYALAPVYUNJENQ-UHFFFAOYSA-N -1 3 362.415 0.763 10 0 FCAEHM O=C(CN1CCCC2(CC2)S1(=O)=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001135842496 849202798 /nfs/dbraw/zinc/20/27/98/849202798.db2.gz RYALAPVYUNJENQ-UHFFFAOYSA-N -1 3 362.415 0.763 10 0 FCAEHM CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2c(C)[n-][nH]c2=O)c1 ZINC001136653746 849232868 /nfs/dbraw/zinc/23/28/68/849232868.db2.gz GGCYTBKELFLFIS-SNVBAGLBSA-N -1 3 372.834 0.490 10 0 FCAEHM CS(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)cn2)s1 ZINC001138211483 849303452 /nfs/dbraw/zinc/30/34/52/849303452.db2.gz CLIHIZVPLBRLHJ-UHFFFAOYSA-N -1 3 364.412 0.657 10 0 FCAEHM CS(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)cn2)s1 ZINC001138211483 849303464 /nfs/dbraw/zinc/30/34/64/849303464.db2.gz CLIHIZVPLBRLHJ-UHFFFAOYSA-N -1 3 364.412 0.657 10 0 FCAEHM Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CCC(=O)[N-]O[C@@H](CO)C(C)C ZINC001141345876 849391376 /nfs/dbraw/zinc/39/13/76/849391376.db2.gz SRMPWKONPUGVDS-ZDUSSCGKSA-N -1 3 350.419 0.876 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc2nccc(C(F)(F)F)n2n1 ZINC001144232894 849513244 /nfs/dbraw/zinc/51/32/44/849513244.db2.gz NLCFYPSVGZNQPI-MRVPVSSYSA-N -1 3 354.292 0.990 10 0 FCAEHM CCS(=O)(=O)c1ccc(F)c(C(=O)NCCc2c(C)[n-][nH]c2=O)c1 ZINC001144232988 849513763 /nfs/dbraw/zinc/51/37/63/849513763.db2.gz RBGOAGDVRNSZSA-NSHDSACASA-N -1 3 355.391 0.861 10 0 FCAEHM COc1ccc(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)cc1S(C)(=O)=O ZINC001144527739 849525049 /nfs/dbraw/zinc/52/50/49/849525049.db2.gz KGOHKTLKRICWJL-UHFFFAOYSA-N -1 3 369.424 0.813 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2COCCC2(OC)OC)c(C)o1 ZINC001148245371 849606013 /nfs/dbraw/zinc/60/60/13/849606013.db2.gz BRQBRYZXUUJFIT-NSHDSACASA-N -1 3 362.404 0.004 10 0 FCAEHM O=C(CN1CCCC2(CC2)S1(=O)=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001164347913 850408714 /nfs/dbraw/zinc/40/87/14/850408714.db2.gz AKLFJNHYTGRLAK-UHFFFAOYSA-N -1 3 358.445 0.045 10 0 FCAEHM CCS(=O)(=O)Nc1cccc(C(=O)NCCCc2c[n-][nH]c2=O)c1 ZINC001168401769 850585424 /nfs/dbraw/zinc/58/54/24/850585424.db2.gz APNLXIBUNVUBPD-GFCCVEGCSA-N -1 3 352.416 0.690 10 0 FCAEHM CNS(=O)(=O)C1CCN(Cc2nnc(-c3ccccc3[O-])o2)CC1 ZINC001170669740 850661227 /nfs/dbraw/zinc/66/12/27/850661227.db2.gz NQQZZSIWHGRNHK-UHFFFAOYSA-N -1 3 352.416 0.956 10 0 FCAEHM C[C@H](NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)c1nc(C(F)(F)F)n[n-]1 ZINC001179182062 850960181 /nfs/dbraw/zinc/96/01/81/850960181.db2.gz AVIQOEGPZSSPRF-BQBZGAKWSA-N -1 3 367.328 0.886 10 0 FCAEHM C[C@H](NC(=O)C[C@@]1(C)CCS(=O)(=O)N1)c1nc(C(F)(F)F)n[n-]1 ZINC001179183911 850960509 /nfs/dbraw/zinc/96/05/09/850960509.db2.gz YOKOOKGMPAXILB-QUBYGPBYSA-N -1 3 355.342 0.473 10 0 FCAEHM CC(C)(C)OC(=O)NOCC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001180027425 851010059 /nfs/dbraw/zinc/01/00/59/851010059.db2.gz JUQIKPLGCCZJRG-JTQLQIEISA-N -1 3 353.379 0.333 10 0 FCAEHM CC(C)CS(=O)(=O)CCC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001180027838 851010267 /nfs/dbraw/zinc/01/02/67/851010267.db2.gz NXLICXIFZPNAQI-GFCCVEGCSA-N -1 3 356.448 0.338 10 0 FCAEHM Cn1ncc(Br)c1CNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001184118636 851289315 /nfs/dbraw/zinc/28/93/15/851289315.db2.gz ZCSHRMGWFWOJRR-UHFFFAOYSA-N -1 3 363.171 0.996 10 0 FCAEHM CC1(C)C[C@H](NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)CCS1(=O)=O ZINC001184382322 851303275 /nfs/dbraw/zinc/30/32/75/851303275.db2.gz GKWAZZOYLLREPF-SNVBAGLBSA-N -1 3 350.396 0.656 10 0 FCAEHM CSc1nnc(CNC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)s1 ZINC001234556969 857408451 /nfs/dbraw/zinc/40/84/51/857408451.db2.gz WXOWTXDQFUIXJV-QMMMGPOBSA-N -1 3 367.460 0.834 10 0 FCAEHM CO[C@@H]1COCC[C@H]1CC(=O)N[C@@H]1CCN(c2nc(C)cc(=O)[n-]2)C1 ZINC001263912735 859238766 /nfs/dbraw/zinc/23/87/66/859238766.db2.gz BBCLHYBVEGYZPV-BFHYXJOUSA-N -1 3 350.419 0.627 10 0 FCAEHM CO[C@H](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNCc1nc(=O)n(C)[n-]1 ZINC001263986665 859268566 /nfs/dbraw/zinc/26/85/66/859268566.db2.gz NEUZVMIECOECOQ-MCIONIFRSA-N -1 3 353.467 0.640 10 0 FCAEHM CC(C)S(=O)(=O)CCCN1CC[C@H](NC(=O)c2cnc[n-]c2=O)[C@H]1C ZINC001264147035 859325993 /nfs/dbraw/zinc/32/59/93/859325993.db2.gz JMFIVSWPWMBXMR-OCCSQVGLSA-N -1 3 370.475 0.588 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)c2ccccc2[O-])CCN1C(=O)CCNS(C)(=O)=O ZINC001282324272 864186592 /nfs/dbraw/zinc/18/65/92/864186592.db2.gz FIZJIDNFHDNVKO-YPMHNXCESA-N -1 3 369.443 0.051 10 0 FCAEHM COCC(C)(C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001289013141 864851645 /nfs/dbraw/zinc/85/16/45/864851645.db2.gz MMKLDNLZTGGODG-UKRRQHHQSA-N -1 3 350.415 0.756 10 0 FCAEHM COCC(=O)NC[C@H]1CC[C@@H](NC(=O)Cc2c(C)nc(C)[n-]c2=O)C1 ZINC001290082150 865324145 /nfs/dbraw/zinc/32/41/45/865324145.db2.gz LXQQXCAYOMSLTJ-QWHCGFSZSA-N -1 3 350.419 0.389 10 0 FCAEHM COC(=O)c1ncoc1COCC(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001300194641 866214757 /nfs/dbraw/zinc/21/47/57/866214757.db2.gz LUBJGEKHEVWPLL-VIFPVBQESA-N -1 3 350.331 0.423 10 0 FCAEHM O=S(=O)([N-][C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1)c1cscn1 ZINC001349082557 866228979 /nfs/dbraw/zinc/22/89/79/866228979.db2.gz XONCOBWHEJUKIX-KOLCDFICSA-N -1 3 352.459 0.158 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC(CO)(CO)C2)ccc1F ZINC001301522624 866264175 /nfs/dbraw/zinc/26/41/75/866264175.db2.gz ZNYBCAVPTXGWMJ-UHFFFAOYSA-N -1 3 374.434 0.329 10 0 FCAEHM Cc1cc(C(=O)NCCCc2c[n-][nH]c2=O)cc(S(N)(=O)=O)c1C ZINC001301560303 866269818 /nfs/dbraw/zinc/26/98/18/866269818.db2.gz BLJPQISEZHHPKM-NSHDSACASA-N -1 3 352.416 0.193 10 0 FCAEHM CN(C)S(=O)(=O)c1ccc(F)c(C(=O)NCCCc2c[n-][nH]c2=O)c1 ZINC001301561779 866271483 /nfs/dbraw/zinc/27/14/83/866271483.db2.gz PTOBXRLJSSVCOA-SNVBAGLBSA-N -1 3 370.406 0.318 10 0 FCAEHM COC(=O)[C@@H](Cn1cncn1)[N-]C(=O)C(F)(F)c1cccc(OC)c1 ZINC001353142438 867357492 /nfs/dbraw/zinc/35/74/92/867357492.db2.gz MIRPOCAOWNMYGP-GFCCVEGCSA-N -1 3 354.313 0.737 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)CCN1CCOCCO ZINC001316798696 867500221 /nfs/dbraw/zinc/50/02/21/867500221.db2.gz BXBYZTAIXUFIAE-MNOVXSKESA-N -1 3 369.384 0.031 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-]Cc2noc3c2COCC3)CCOCC1 ZINC001354172455 867559307 /nfs/dbraw/zinc/55/93/07/867559307.db2.gz ZPDFOZFUSYULIC-UHFFFAOYSA-N -1 3 360.432 0.752 10 0 FCAEHM CC(=O)N1CCC[C@H]1C(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001319054399 867817300 /nfs/dbraw/zinc/81/73/00/867817300.db2.gz XITGDADVOCGGNI-AWEZNQCLSA-N -1 3 357.407 0.824 10 0 FCAEHM COc1c(F)cc(CC(=O)[N-]OC[C@@H]2CCOC2)cc1S(N)(=O)=O ZINC001321782063 868610588 /nfs/dbraw/zinc/61/05/88/868610588.db2.gz JKKQPZVDPBSMFW-SECBINFHSA-N -1 3 362.379 0.109 10 0 FCAEHM Cc1c(CN(C)C(=O)C(=O)NCc2nc(C(F)(F)F)n[n-]2)cnn1C ZINC001324454339 869591560 /nfs/dbraw/zinc/59/15/60/869591560.db2.gz IVHDIYKLEGHKNB-UHFFFAOYSA-N -1 3 359.312 0.140 10 0 FCAEHM O=C(NCC1(O)CN(CCC[N-]C(=O)C(F)(F)F)C1)[C@@H]1C[C@H]1C1CC1 ZINC001325286288 869840817 /nfs/dbraw/zinc/84/08/17/869840817.db2.gz WEZZJLDGHXAJNN-NWDGAFQWSA-N -1 3 363.380 0.264 10 0 FCAEHM O=C(NCc1ccc([O-])c(Br)c1)C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC001326807934 870508847 /nfs/dbraw/zinc/50/88/47/870508847.db2.gz XTLRWSJXBBYYSY-GDGBQDQQSA-N -1 3 355.188 0.532 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CN(C(=O)CCC(F)(F)F)C[C@@H]1O ZINC001343650957 870538207 /nfs/dbraw/zinc/53/82/07/870538207.db2.gz RVZUVAKJASUNOU-BDAKNGLRSA-N -1 3 362.308 0.135 10 0 FCAEHM CCCNC(=O)CCC(=O)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@H]1CC ZINC001344875400 871077587 /nfs/dbraw/zinc/07/75/87/871077587.db2.gz ZJSCEAZRMUSDNV-WCQYABFASA-N -1 3 350.423 0.220 10 0 FCAEHM CN(C)CCN(CC(=O)[O-])C(=O)[C@@H](C[C@H]1COCCO1)C(F)(F)F ZINC001327930076 871144705 /nfs/dbraw/zinc/14/47/05/871144705.db2.gz ZSXMGSFAUPEMPB-WDEREUQCSA-N -1 3 356.341 0.445 10 0 FCAEHM CN(C)[C@@]1(CNC(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)CCSC1 ZINC001328301111 871346598 /nfs/dbraw/zinc/34/65/98/871346598.db2.gz JUKQDNXBJIFLRT-MRXNPFEDSA-N -1 3 357.476 0.253 10 0 FCAEHM CCS(=O)(=O)CC(=O)NC[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC001346120207 871654977 /nfs/dbraw/zinc/65/49/77/871654977.db2.gz FCGLSTXRYMHWGV-CHWSQXEVSA-N -1 3 368.455 0.651 10 0 FCAEHM O=C(NCc1ccc([O-])c(F)c1)C(=O)NC[C@H]1CN(C2CC2)C(=O)O1 ZINC001329219589 871896180 /nfs/dbraw/zinc/89/61/80/871896180.db2.gz JBFIDRHVODFHGM-NSHDSACASA-N -1 3 351.334 0.247 10 0 FCAEHM O=C(NCc1nc(C(F)(F)F)n[n-]1)C(=O)N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001347616457 872420449 /nfs/dbraw/zinc/42/04/49/872420449.db2.gz RZKLSICNDDTGQS-QYNIQEEDSA-N -1 3 367.278 0.990 10 0 FCAEHM CO[C@H](COC(=O)c1ccc(S(=O)(=O)[N-]CCO)s1)C1CCC1 ZINC001330172925 872507388 /nfs/dbraw/zinc/50/73/88/872507388.db2.gz DQXHLCBEVKVEFF-LLVKDONJSA-N -1 3 363.457 0.991 10 0 FCAEHM O=C(OCCO[C@H]1CC1(F)F)c1ccc(S(=O)(=O)[N-]CCO)s1 ZINC001330172697 872507501 /nfs/dbraw/zinc/50/75/01/872507501.db2.gz AEQJXWLBTFLEKI-VIFPVBQESA-N -1 3 371.383 0.600 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)N2CCc3nc[n-]c(=O)c3C2)on1 ZINC001348136048 872606545 /nfs/dbraw/zinc/60/65/45/872606545.db2.gz KZQWFFJAGOEUFU-UHFFFAOYSA-N -1 3 368.371 0.235 10 0 FCAEHM COC(=O)[C@@]1(N2CCN(CCC[N-]C(=O)C(F)(F)F)CC2)CCOC1 ZINC001348188029 872622403 /nfs/dbraw/zinc/62/24/03/872622403.db2.gz HSNUCIRLFZSGEM-CQSZACIVSA-N -1 3 367.368 0.005 10 0 FCAEHM COc1cc2[n-]cc(C(=O)NCCOCCCO)c(=O)c2c(OC)c1 ZINC001331569622 873148569 /nfs/dbraw/zinc/14/85/69/873148569.db2.gz OWGDYQZDMKMIIO-UHFFFAOYSA-N -1 3 350.371 0.674 10 0 FCAEHM O=C(CC1(O)CCOCC1)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001333283931 873893229 /nfs/dbraw/zinc/89/32/29/873893229.db2.gz CRQOQILJCIBHGN-NSHDSACASA-N -1 3 352.353 0.835 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)C3(S(C)(=O)=O)CCC3)cc2n(C)c1=O ZINC000292036950 214072527 /nfs/dbraw/zinc/07/25/27/214072527.db2.gz QYJNBRQTGNPGON-UHFFFAOYSA-N -1 3 353.400 0.488 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(C(=O)NCCc3cn[nH]c3)CC2)[n-]1 ZINC000292096512 214077465 /nfs/dbraw/zinc/07/74/65/214077465.db2.gz KSSWJRLELXVYCG-UHFFFAOYSA-N -1 3 361.406 0.836 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(C(=O)NCCc3cn[nH]c3)CC2)n[n-]1 ZINC000292096512 214077466 /nfs/dbraw/zinc/07/74/66/214077466.db2.gz KSSWJRLELXVYCG-UHFFFAOYSA-N -1 3 361.406 0.836 10 0 FCAEHM C[C@@H](O)CCNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000265977073 210259525 /nfs/dbraw/zinc/25/95/25/210259525.db2.gz WFEUDGSZSWZVCB-SECBINFHSA-N -1 3 373.406 0.092 10 0 FCAEHM CCn1ncc(C(=O)[N-]c2cc(C(=O)OC)cc(S(C)(=O)=O)c2)n1 ZINC000293394420 214170002 /nfs/dbraw/zinc/17/00/02/214170002.db2.gz NODYEPMNLPXAEA-UHFFFAOYSA-N -1 3 352.372 0.740 10 0 FCAEHM CC[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1)[C@@H](O)C(F)F ZINC000295370389 214293446 /nfs/dbraw/zinc/29/34/46/214293446.db2.gz DLDZIMMJYRIEFM-MWLCHTKSSA-N -1 3 354.350 0.868 10 0 FCAEHM CCOc1ccncc1S(=O)(=O)[N-][C@H](CCC(=O)OC)C(=O)OC ZINC000296244552 214338663 /nfs/dbraw/zinc/33/86/63/214338663.db2.gz NOYDFXNOSIJIHA-SNVBAGLBSA-N -1 3 360.388 0.253 10 0 FCAEHM Cc1cc(C[C@@H](C)NC(=O)C[N-]S(=O)(=O)c2ccccc2F)[nH]n1 ZINC000291312530 214025833 /nfs/dbraw/zinc/02/58/33/214025833.db2.gz OSDNLTNZVIAPNO-SNVBAGLBSA-N -1 3 354.407 0.883 10 0 FCAEHM CCOC(=O)N1CCN(S(=O)(=O)[N-]c2cn(C)nc2C2CC2)CC1 ZINC000291277010 214023364 /nfs/dbraw/zinc/02/33/64/214023364.db2.gz ZWAVFTXWELRKOC-UHFFFAOYSA-N -1 3 357.436 0.728 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)N2CCS(=O)(=O)[C@H](C)C2)c([O-])c1 ZINC000265769456 210217208 /nfs/dbraw/zinc/21/72/08/210217208.db2.gz GQMGHLLIPJFURM-GFCCVEGCSA-N -1 3 354.428 0.466 10 0 FCAEHM CCOCCCn1c2ccccc2nc1NC(=O)CN1CC(=O)[N-]C1=O ZINC000264921270 210016199 /nfs/dbraw/zinc/01/61/99/210016199.db2.gz JZUPMCKAJQUCGL-UHFFFAOYSA-N -1 3 359.386 0.953 10 0 FCAEHM CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)CN2CC(=O)[N-]C2=O)C1 ZINC000264894235 210009137 /nfs/dbraw/zinc/00/91/37/210009137.db2.gz VZVIZNVHCGRWDF-LLVKDONJSA-N -1 3 354.407 0.396 10 0 FCAEHM Cc1cc(N2CC[C@@H]([N-]S(=O)(=O)[C@H]3C[C@@H]4CC[C@H]3C4)C2=O)n(C)n1 ZINC000333175023 215247032 /nfs/dbraw/zinc/24/70/32/215247032.db2.gz OMIPTVIPBURRJM-RQJABVFESA-N -1 3 352.460 0.942 10 0 FCAEHM O=C(C1CCCC1)N1CCC[C@@H]1C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000333252363 215256334 /nfs/dbraw/zinc/25/63/34/215256334.db2.gz DNNUBWFRRXTSPQ-FZKQIMNGSA-N -1 3 362.430 0.368 10 0 FCAEHM O=C(C[C@H]1Sc2ccccc2NC1=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000333337147 215266990 /nfs/dbraw/zinc/26/69/90/215266990.db2.gz SAIBDVPRXQVIAL-SJKOYZFVSA-N -1 3 374.422 0.690 10 0 FCAEHM Cc1c(C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cccc1N1CCNC1=O ZINC000333340243 215267152 /nfs/dbraw/zinc/26/71/52/215267152.db2.gz SQTPVVXWRUTORM-SFHVURJKSA-N -1 3 371.397 0.339 10 0 FCAEHM Cn1cc(C(=O)N[C@@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)c(=O)[n-]c1=O ZINC000253535912 222991819 /nfs/dbraw/zinc/99/18/19/222991819.db2.gz XIZBDYUCCWVZPN-ZENOOKHLSA-N -1 3 371.393 0.663 10 0 FCAEHM CN1CCO[C@@H]2CCN(C(=O)c3cccc([C@]4(C)NC(=O)[N-]C4=O)c3)C[C@@H]21 ZINC000284668762 213194056 /nfs/dbraw/zinc/19/40/56/213194056.db2.gz HMXFFHSRORNFPG-KHYOSLBOSA-N -1 3 372.425 0.286 10 0 FCAEHM Cn1nccc1[C@@H]1NC(=O)CC[C@H]1[N-]S(=O)(=O)c1ccccc1F ZINC000284548137 213167122 /nfs/dbraw/zinc/16/71/22/213167122.db2.gz NMZNLOYOSROKMU-IAQYHMDHSA-N -1 3 352.391 0.857 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)c(C)o1 ZINC000284122562 213079659 /nfs/dbraw/zinc/07/96/59/213079659.db2.gz OULFAJANOQSCTP-OLZOCXBDSA-N -1 3 357.432 0.041 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCN(C(=O)[C@@H]2CCc3n[nH]nc3C2)CC1 ZINC000283759901 213004565 /nfs/dbraw/zinc/00/45/65/213004565.db2.gz PVYFOTGVBIGRPE-GFCCVEGCSA-N -1 3 355.398 0.600 10 0 FCAEHM COc1c(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)cnn1C ZINC000412321693 237189520 /nfs/dbraw/zinc/18/95/20/237189520.db2.gz OCWVUKMMDUHJSA-UHFFFAOYSA-N -1 3 374.369 0.415 10 0 FCAEHM C[C@H](O)[C@H]1CN(C(=O)CC[N-]S(=O)(=O)c2ccccc2F)CCO1 ZINC000412908688 237252547 /nfs/dbraw/zinc/25/25/47/237252547.db2.gz DGSBZMPTACYUHJ-WCQYABFASA-N -1 3 360.407 0.102 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCOC[C@@H]1c1nc2ccccc2s1 ZINC000367111801 216076393 /nfs/dbraw/zinc/07/63/93/216076393.db2.gz BRCZFEWQIJOIOB-LLVKDONJSA-N -1 3 360.395 0.748 10 0 FCAEHM COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000367371316 216113284 /nfs/dbraw/zinc/11/32/84/216113284.db2.gz KIVUWTPIYMKVCT-AVGNSLFASA-N -1 3 351.403 0.555 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000367612085 216142783 /nfs/dbraw/zinc/14/27/83/216142783.db2.gz LAQVCSVSGMGVBB-LLVKDONJSA-N -1 3 368.752 0.252 10 0 FCAEHM Cc1ccc(CS(=O)(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1C ZINC000367956435 216182168 /nfs/dbraw/zinc/18/21/68/216182168.db2.gz FVXDNNIDSUPQEN-INIZCTEOSA-N -1 3 351.428 0.807 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N1CCNC[C@H]1C(F)F ZINC000367996175 216191196 /nfs/dbraw/zinc/19/11/96/216191196.db2.gz FOFBGTYGECADOX-LBPRGKRZSA-N -1 3 352.341 0.558 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@H](CO)c1ccccc1OC(F)(F)F ZINC000280221171 212617698 /nfs/dbraw/zinc/61/76/98/212617698.db2.gz NSWTVWDMZQZQGJ-SECBINFHSA-N -1 3 361.276 0.287 10 0 FCAEHM COC(=O)c1nc([C@@H]2CCCN2C(=O)CN2CC(=O)[N-]C2=O)sc1C ZINC000280212280 212616770 /nfs/dbraw/zinc/61/67/70/212616770.db2.gz WRRSTYNFDDRMFX-VIFPVBQESA-N -1 3 366.399 0.453 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-][C@@H]2CCCN(c3cccnc3)C2=O)C[C@@H](C)O1 ZINC000368252039 216224831 /nfs/dbraw/zinc/22/48/31/216224831.db2.gz HQRHRIRGGICBGF-UMVBOHGHSA-N -1 3 368.459 0.521 10 0 FCAEHM Cc1c(C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)cnn1-c1ccccc1 ZINC000195021739 209331833 /nfs/dbraw/zinc/33/18/33/209331833.db2.gz RCUKOYZEXZMGLT-GOSISDBHSA-N -1 3 353.382 0.995 10 0 FCAEHM CC(C)(C)OC(=O)N1CCC[C@]2(CCN2C(=O)CN2CC(=O)[N-]C2=O)C1 ZINC000368907678 216316560 /nfs/dbraw/zinc/31/65/60/216316560.db2.gz VCANZOYMDQWRPE-KRWDZBQOSA-N -1 3 366.418 0.540 10 0 FCAEHM CC(C)(C)c1nnc(NC(=O)CN2CCC[C@@]3(C2)NC(=O)[N-]C3=O)s1 ZINC000279115779 212515937 /nfs/dbraw/zinc/51/59/37/212515937.db2.gz UAUWUBDLHMMWLR-HNNXBMFYSA-N -1 3 366.447 0.448 10 0 FCAEHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C(C)(C)[C@@H](O)C(=O)OC ZINC000277012841 212318084 /nfs/dbraw/zinc/31/80/84/212318084.db2.gz IOMLXSAEIMVOAI-NSHDSACASA-N -1 3 363.363 0.203 10 0 FCAEHM COC[C@@H](CCO)[N-]S(=O)(=O)c1ccc(CCNC(=O)OC)s1 ZINC000276228038 212191211 /nfs/dbraw/zinc/19/12/11/212191211.db2.gz NBROKKMMNLJUDB-SNVBAGLBSA-N -1 3 366.461 0.322 10 0 FCAEHM COc1ccc(CN2CC[C@H]([N-]S(=O)(=O)[C@H]3CCO[C@@H]3C)C2=O)cc1 ZINC000276127084 212166109 /nfs/dbraw/zinc/16/61/09/212166109.db2.gz ZPYGCIOXAIOXHU-KCXAZCMYSA-N -1 3 368.455 0.893 10 0 FCAEHM C[C@@H]1OCC[C@H]1S(=O)(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000276068392 212151719 /nfs/dbraw/zinc/15/17/19/212151719.db2.gz QRJQBKZIQHRWBH-SWLSCSKDSA-N -1 3 354.428 0.657 10 0 FCAEHM CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[N-]S(=O)(=O)[C@@H]1CCO[C@@H]1C ZINC000276063532 212150177 /nfs/dbraw/zinc/15/01/77/212150177.db2.gz QGDICMAOBLKDDL-XFBWCDHKSA-N -1 3 365.455 0.922 10 0 FCAEHM C[C@@H](C(=O)N1CCO[C@H](CN(C)CC(=O)[O-])C1)N(C)Cc1ccccc1 ZINC000275516553 212042930 /nfs/dbraw/zinc/04/29/30/212042930.db2.gz BZGHASOEKWSIGF-DOTOQJQBSA-N -1 3 363.458 0.751 10 0 FCAEHM CC(C)OCCS(=O)(=O)[N-]CC(=O)Nc1cccc2c1OCC[C@@H]2O ZINC000373344317 217009479 /nfs/dbraw/zinc/00/94/79/217009479.db2.gz ABIXIATXACKZJL-AWEZNQCLSA-N -1 3 372.443 0.785 10 0 FCAEHM COC(=O)C1(CNC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)CC1 ZINC000275318874 212006172 /nfs/dbraw/zinc/00/61/72/212006172.db2.gz SRFRDKIHNOBXLF-JTQLQIEISA-N -1 3 358.391 0.562 10 0 FCAEHM O=C(CC[C@H]1NC(=O)[N-]C1=O)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000373950118 217078450 /nfs/dbraw/zinc/07/84/50/217078450.db2.gz DEVVVEXEWQFMNZ-VXGBXAGGSA-N -1 3 356.386 0.424 10 0 FCAEHM Cn1ccnc1-c1cc(=NC(=O)N=c2ccn(C3CCN(C)CC3)[nH]2)[nH][n-]1 ZINC000374734768 217164236 /nfs/dbraw/zinc/16/42/36/217164236.db2.gz JANRWVLXRMBVON-UHFFFAOYSA-N -1 3 369.433 0.761 10 0 FCAEHM CS(=O)(=O)[N-]c1cc(C(=O)N2CCO[C@]3(CCOC3)C2)ccc1F ZINC000274399356 211840785 /nfs/dbraw/zinc/84/07/85/211840785.db2.gz DQGSMQIEIKZLSA-OAHLLOKOSA-N -1 3 358.391 0.829 10 0 FCAEHM Cc1ccc(CNC(=O)CN2CC(=O)[N-]C2=O)c(-n2cc(Cl)cn2)n1 ZINC000375500042 217274751 /nfs/dbraw/zinc/27/47/51/217274751.db2.gz WOSLHZWTCSGPMT-UHFFFAOYSA-N -1 3 362.777 0.397 10 0 FCAEHM O=C(NCC1(N2CCOCC2)CC1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000375934430 217335794 /nfs/dbraw/zinc/33/57/94/217335794.db2.gz WGSZDEAMORLJHZ-MRXNPFEDSA-N -1 3 373.453 0.978 10 0 FCAEHM CC(C)C[C@H](CNC(=O)C(=O)N1CCC[C@H]1CN1CCCC1)C(=O)[O-] ZINC000424478671 247231590 /nfs/dbraw/zinc/23/15/90/247231590.db2.gz GPICXBOSYQYIRR-CABCVRRESA-N -1 3 353.463 0.936 10 0 FCAEHM CC(C)C[C@H](CNC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1)C(=O)[O-] ZINC000424479693 247233076 /nfs/dbraw/zinc/23/30/76/247233076.db2.gz IDIBDSPAWQFPTA-CABCVRRESA-N -1 3 353.463 0.936 10 0 FCAEHM O=C(Cc1ccc(Br)cc1[O-])N[C@@H](CO)CN1CCOCC1 ZINC000425298260 247319814 /nfs/dbraw/zinc/31/98/14/247319814.db2.gz WIQZOKILWPMVGQ-CYBMUJFWSA-N -1 3 373.247 0.507 10 0 FCAEHM O=C(Cc1ccc(-n2cnnc2)cc1)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000425610316 247357909 /nfs/dbraw/zinc/35/79/09/247357909.db2.gz RAVVUCIMKXDYRV-UHFFFAOYSA-N -1 3 352.358 0.459 10 0 FCAEHM O=C(Cc1ccc(-n2cnnc2)cc1)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000425610316 247357912 /nfs/dbraw/zinc/35/79/12/247357912.db2.gz RAVVUCIMKXDYRV-UHFFFAOYSA-N -1 3 352.358 0.459 10 0 FCAEHM O=C(Cc1ccc(-n2cnnc2)cc1)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000425610316 247357914 /nfs/dbraw/zinc/35/79/14/247357914.db2.gz RAVVUCIMKXDYRV-UHFFFAOYSA-N -1 3 352.358 0.459 10 0 FCAEHM CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)C(=O)[N-]c2cnns2)CC1 ZINC000430039930 247672574 /nfs/dbraw/zinc/67/25/74/247672574.db2.gz GCUIAAVEBWNSMC-SNVBAGLBSA-N -1 3 353.448 0.876 10 0 FCAEHM Cc1nnc(CCNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])n1C ZINC000436643338 248046686 /nfs/dbraw/zinc/04/66/86/248046686.db2.gz WPUJSPYDSUGQHF-AWEZNQCLSA-N -1 3 357.414 0.793 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccncc2OC)cn1 ZINC000438603946 248091565 /nfs/dbraw/zinc/09/15/65/248091565.db2.gz LZCUCOJHYFKNPU-SNVBAGLBSA-N -1 3 350.400 0.884 10 0 FCAEHM Cn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436980975 248057201 /nfs/dbraw/zinc/05/72/01/248057201.db2.gz AXKHPHOELBVUFU-OAHLLOKOSA-N -1 3 373.413 0.571 10 0 FCAEHM CC[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)OC ZINC000438974641 248105255 /nfs/dbraw/zinc/10/52/55/248105255.db2.gz MSIUGOINPKYZCR-SSDOTTSWSA-N -1 3 354.837 0.748 10 0 FCAEHM Cn1cccc(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)c1=O ZINC000441407815 248251790 /nfs/dbraw/zinc/25/17/90/248251790.db2.gz UYMIEYGJDGCSAA-UHFFFAOYSA-N -1 3 371.365 0.372 10 0 FCAEHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCN(C(C)=O)C[C@H]1C ZINC000440583509 248199265 /nfs/dbraw/zinc/19/92/65/248199265.db2.gz KXPOUMHMVVYVJF-SECBINFHSA-N -1 3 353.400 0.552 10 0 FCAEHM C[C@@H](O)CCNC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000442610948 248293426 /nfs/dbraw/zinc/29/34/26/248293426.db2.gz QQPZPYWVWJYNBO-SECBINFHSA-N -1 3 367.830 0.828 10 0 FCAEHM NC(=O)[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2cnccc2C(F)(F)F)O1 ZINC000442735690 248294342 /nfs/dbraw/zinc/29/43/42/248294342.db2.gz ZHMUZDLCCOSMFB-APPZFPTMSA-N -1 3 353.322 0.412 10 0 FCAEHM CSC[C@](C)(O)C[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000443259234 248317199 /nfs/dbraw/zinc/31/71/99/248317199.db2.gz ZHZWVVPVDLRBCX-GFCCVEGCSA-N -1 3 353.487 0.482 10 0 FCAEHM COCC[C@@](C)(O)C[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000443291408 248320064 /nfs/dbraw/zinc/32/00/64/248320064.db2.gz AHEBWKWXCIJDBH-CYBMUJFWSA-N -1 3 351.446 0.156 10 0 FCAEHM C[C@@H](CO)[C@H](C)NC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000442165360 248276776 /nfs/dbraw/zinc/27/67/76/248276776.db2.gz WQVAHZITUBNVNU-UWVGGRQHSA-N -1 3 365.402 0.559 10 0 FCAEHM CCNC(=O)C(C)(C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000457285609 249579525 /nfs/dbraw/zinc/57/95/25/249579525.db2.gz DAKUFKBZVPYWMF-JTQLQIEISA-N -1 3 359.423 0.523 10 0 FCAEHM C[C@H]1[C@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000272025029 211493951 /nfs/dbraw/zinc/49/39/51/211493951.db2.gz NQKWVHDPUPXGSQ-DCAQKATOSA-N -1 3 354.407 0.441 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CSC[C@@H]1C(=O)Nc1cccc(F)c1 ZINC000271391299 211392846 /nfs/dbraw/zinc/39/28/46/211392846.db2.gz VQTKDZOMIRJJPU-WDEREUQCSA-N -1 3 366.374 0.264 10 0 FCAEHM C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000271390416 211392688 /nfs/dbraw/zinc/39/26/88/211392688.db2.gz LDZFMABUFOWANI-MXWKQRLJSA-N -1 3 354.407 0.441 10 0 FCAEHM COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000271348221 211384317 /nfs/dbraw/zinc/38/43/17/211384317.db2.gz FFHNHEDIPHUSSJ-NSHDSACASA-N -1 3 353.762 0.440 10 0 FCAEHM CCOC(=O)c1sc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)nc1C(C)C ZINC000271218356 211357379 /nfs/dbraw/zinc/35/73/79/211357379.db2.gz ZKYAGPRLVVPKKX-ZETCQYMHSA-N -1 3 354.388 0.980 10 0 FCAEHM Cc1cc(I)cnc1NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000270856278 211283169 /nfs/dbraw/zinc/28/31/69/211283169.db2.gz YQRAFULZDKRGDU-ZETCQYMHSA-N -1 3 374.138 0.531 10 0 FCAEHM COc1ccccc1[C@@H](CNC(=O)C[C@@H]1NC(=O)[N-]C1=O)N1CCCCC1 ZINC000270703503 211251771 /nfs/dbraw/zinc/25/17/71/211251771.db2.gz JSAZJKDYPUZTEL-LSDHHAIUSA-N -1 3 374.441 0.937 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000270626773 211236922 /nfs/dbraw/zinc/23/69/22/211236922.db2.gz UWYGEOHIURBHFG-QWRGUYRKSA-N -1 3 364.789 0.550 10 0 FCAEHM C[C@@H]1CN(Cc2cccc(CNC(=O)C[C@@H]3NC(=O)[N-]C3=O)c2)CCO1 ZINC000270616438 211235485 /nfs/dbraw/zinc/23/54/85/211235485.db2.gz SDKUMMCUKDWHQI-DOMZBBRYSA-N -1 3 360.414 0.122 10 0 FCAEHM Cc1cccc(Cn2[n-]cc/c2=N\C(=O)CN2CC[C@@H](NC(N)=O)C2)c1 ZINC000270623466 211235636 /nfs/dbraw/zinc/23/56/36/211235636.db2.gz KIMKCRHHPFWXPF-JZRFMTABSA-N -1 3 356.430 0.343 10 0 FCAEHM C[C@@H]1CN(Cc2ccc(CNC(=O)C[C@@H]3NC(=O)[N-]C3=O)cc2)C[C@H](C)O1 ZINC000270619972 211235364 /nfs/dbraw/zinc/23/53/64/211235364.db2.gz RKEXZVHYMFFKHH-ZENOOKHLSA-N -1 3 374.441 0.510 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000270608203 211233107 /nfs/dbraw/zinc/23/31/07/211233107.db2.gz PZJMXPIQDGCIEG-QWRGUYRKSA-N -1 3 350.762 0.160 10 0 FCAEHM CC[C@H](CO)N1CCN(C(=O)c2cc(S(=O)(=O)[N-]C)oc2C)CC1 ZINC000270515906 211214347 /nfs/dbraw/zinc/21/43/47/211214347.db2.gz MCWVRYYSHCFGPT-GFCCVEGCSA-N -1 3 359.448 0.025 10 0 FCAEHM CCNC(=O)COc1ccc(NC(=O)C(=O)NCc2ncccc2[O-])cc1 ZINC000473041153 250194832 /nfs/dbraw/zinc/19/48/32/250194832.db2.gz JLMOKZSEBJLPCW-UHFFFAOYSA-N -1 3 372.381 0.557 10 0 FCAEHM Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)NCc2ncccc2[O-])n1 ZINC000473037162 250195706 /nfs/dbraw/zinc/19/57/06/250195706.db2.gz UOLYYONBRLPIND-UHFFFAOYSA-N -1 3 367.369 0.635 10 0 FCAEHM O=C(NCc1ncccc1[O-])C(=O)Nc1ccccc1Cn1cncn1 ZINC000473067685 250198862 /nfs/dbraw/zinc/19/88/62/250198862.db2.gz ROFJORLINIXXHH-UHFFFAOYSA-N -1 3 352.354 0.682 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)NCc1ncccc1O ZINC000473641647 250243764 /nfs/dbraw/zinc/24/37/64/250243764.db2.gz VTOKGFWRMKUFSG-VIFPVBQESA-N -1 3 354.388 0.375 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCc1ncccc1[O-] ZINC000473641647 250243771 /nfs/dbraw/zinc/24/37/71/250243771.db2.gz VTOKGFWRMKUFSG-VIFPVBQESA-N -1 3 354.388 0.375 10 0 FCAEHM COCCNS(=O)(=O)c1cccc(C(=O)NCc2ncccc2[O-])c1 ZINC000473641712 250244205 /nfs/dbraw/zinc/24/42/05/250244205.db2.gz JVYILBIAVJGWRF-UHFFFAOYSA-N -1 3 365.411 0.642 10 0 FCAEHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@]1(C(=O)OC)CCOC1 ZINC000269776071 211075360 /nfs/dbraw/zinc/07/53/60/211075360.db2.gz HGKBWJQDUQHJGP-CQSZACIVSA-N -1 3 361.347 0.223 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC[C@@H](C)[S@@](C)=O)s1 ZINC000481074959 250313498 /nfs/dbraw/zinc/31/34/98/250313498.db2.gz FBHVPAAMDXMMJZ-GSDQLPOLSA-N -1 3 352.503 0.820 10 0 FCAEHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C(C)(C)[C@@H](O)C(=O)OC)c1 ZINC000480840110 250287240 /nfs/dbraw/zinc/28/72/40/250287240.db2.gz GWOYBVDBVMGLFV-NSHDSACASA-N -1 3 363.363 0.203 10 0 FCAEHM COC[C@](C)(CCO)NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000482535887 250392459 /nfs/dbraw/zinc/39/24/59/250392459.db2.gz PIKHEMGGGTYRDY-LBPRGKRZSA-N -1 3 370.880 0.584 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NCc1cccc(COCC(F)(F)F)c1 ZINC000269641012 211031869 /nfs/dbraw/zinc/03/18/69/211031869.db2.gz JDOXSBWOLGSDIR-UHFFFAOYSA-N -1 3 359.304 0.934 10 0 FCAEHM CNC(=O)[C@H]1CCC[C@H]1NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000498511775 250646435 /nfs/dbraw/zinc/64/64/35/250646435.db2.gz XDVBHHZIBWOLQB-GMXVVIOVSA-N -1 3 371.434 0.523 10 0 FCAEHM Cc1nc(C)c(CCC(=O)N[C@H]2CCCN(c3ncccn3)C2)c(=O)[n-]1 ZINC000079283909 208087818 /nfs/dbraw/zinc/08/78/18/208087818.db2.gz KXOCOAICXCTSRV-AWEZNQCLSA-N -1 3 356.430 0.895 10 0 FCAEHM C[C@@H]1CCCN(S(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)CC1 ZINC000103158020 208172950 /nfs/dbraw/zinc/17/29/50/208172950.db2.gz HKRJEIOEBGKKFJ-SNVBAGLBSA-N -1 3 352.416 0.433 10 0 FCAEHM CNC(=O)[C@@H](C)CN(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000267243610 210504337 /nfs/dbraw/zinc/50/43/37/210504337.db2.gz SKXUMYZMHXXFQK-QWRGUYRKSA-N -1 3 359.423 0.333 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CCS(=O)(=O)CC1 ZINC000116798914 208333058 /nfs/dbraw/zinc/33/30/58/208333058.db2.gz DBZHOCQMPZJSJD-CYBMUJFWSA-N -1 3 352.412 0.254 10 0 FCAEHM CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119666088 208364753 /nfs/dbraw/zinc/36/47/53/208364753.db2.gz YMSMDMSDBDFKRS-LBPRGKRZSA-N -1 3 366.447 0.953 10 0 FCAEHM CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119666088 208364759 /nfs/dbraw/zinc/36/47/59/208364759.db2.gz YMSMDMSDBDFKRS-LBPRGKRZSA-N -1 3 366.447 0.953 10 0 FCAEHM COc1ccc2c(c1)[n-]cc(C(=O)NCCOCCS(C)(=O)=O)c2=O ZINC000266560242 210356813 /nfs/dbraw/zinc/35/68/13/210356813.db2.gz UEJIEBLJSVKSLM-UHFFFAOYSA-N -1 3 368.411 0.740 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2Cn2ccnc2C)o1 ZINC000177165465 209017274 /nfs/dbraw/zinc/01/72/74/209017274.db2.gz LBISOLDHBANRMT-GFCCVEGCSA-N -1 3 352.416 0.997 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N[C@H]1CCCn2ncnc21 ZINC000177574680 209028043 /nfs/dbraw/zinc/02/80/43/209028043.db2.gz YBNZSVFXQAGZHF-ZDUSSCGKSA-N -1 3 354.370 0.323 10 0 FCAEHM CS(=O)(=O)NC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000409795008 533405339 /nfs/dbraw/zinc/40/53/39/533405339.db2.gz QFBDLCQJASJYMQ-JOYOIKCWSA-N -1 3 367.880 0.731 10 0 FCAEHM CC[C@H](CO)N1CCN(C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)CC1 ZINC000179409449 209077048 /nfs/dbraw/zinc/07/70/48/209077048.db2.gz LVETVZRCFMVZIK-CQSZACIVSA-N -1 3 361.446 0.097 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000178316726 229222299 /nfs/dbraw/zinc/22/22/99/229222299.db2.gz LQLFXAWVYCGIQK-NXEZZACHSA-N -1 3 356.220 0.948 10 0 FCAEHM Cc1cc(C)cc(CS(=O)(=O)N2CCC3(CC2)NC(=O)[N-]C3=O)c1 ZINC000409532504 230027159 /nfs/dbraw/zinc/02/71/59/230027159.db2.gz ZYVZUCWUBLULNQ-UHFFFAOYSA-N -1 3 351.428 0.807 10 0 FCAEHM COC(=O)[C@@H](CF)[N-]S(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000287433305 488869684 /nfs/dbraw/zinc/86/96/84/488869684.db2.gz NBCYHMPFFDDJIG-SECBINFHSA-N -1 3 357.356 0.019 10 0 FCAEHM C[C@@H]1C[C@H]1N1C[C@H]([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)CC1=O ZINC000363701325 488876215 /nfs/dbraw/zinc/87/62/15/488876215.db2.gz SOAZIOZNICJUKC-IJLUTSLNSA-N -1 3 372.468 0.378 10 0 FCAEHM COC(=O)[C@@H](O)C[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000311919352 488895373 /nfs/dbraw/zinc/89/53/73/488895373.db2.gz GKEZJSMLLSAGAK-QMMMGPOBSA-N -1 3 372.624 0.915 10 0 FCAEHM O=C1[N-]C(=O)[C@@]2(CCCN(S(=O)(=O)/C=C/c3ccc(F)cc3)C2)N1 ZINC000278814770 488897683 /nfs/dbraw/zinc/89/76/83/488897683.db2.gz SPOREELIHQAUPS-PPYMECGQSA-N -1 3 353.375 0.800 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]CCN1CCC(O)CC1 ZINC000321535083 488901697 /nfs/dbraw/zinc/90/16/97/488901697.db2.gz SQPCZDBTIMBARS-UHFFFAOYSA-N -1 3 360.432 0.418 10 0 FCAEHM C[C@H](C(=O)NC(=O)NCc1ccccc1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279118177 488917898 /nfs/dbraw/zinc/91/78/98/488917898.db2.gz UIAQMXQEEVTPNW-KZULUSFZSA-N -1 3 373.413 0.075 10 0 FCAEHM Cn1nccc1N1CCC[C@H]([N-]S(=O)(=O)CC[C@H]2CCCO2)C1=O ZINC000328612901 488923088 /nfs/dbraw/zinc/92/30/88/488923088.db2.gz QAAFYVJBBZRDJN-OLZOCXBDSA-N -1 3 356.448 0.404 10 0 FCAEHM Cc1cc(N2CCC[C@H]([N-]S(=O)(=O)C3CCOCC3)C2=O)n(C)n1 ZINC000328612108 488923167 /nfs/dbraw/zinc/92/31/67/488923167.db2.gz NYMNFZGAAIZWLE-ZDUSSCGKSA-N -1 3 356.448 0.322 10 0 FCAEHM Cc1cc(N2CCC[C@@H]([N-]S(=O)(=O)C3CCOCC3)C2=O)n(C)n1 ZINC000328612106 488923319 /nfs/dbraw/zinc/92/33/19/488923319.db2.gz NYMNFZGAAIZWLE-CYBMUJFWSA-N -1 3 356.448 0.322 10 0 FCAEHM COc1cc(C)c(S(=O)(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c(C)c1 ZINC000327389998 488919583 /nfs/dbraw/zinc/91/95/83/488919583.db2.gz RHFCBIPZKUWNJA-MRXNPFEDSA-N -1 3 367.427 0.675 10 0 FCAEHM Cc1nc(C)n(C[C@H]2CN(C(=O)c3cc(F)cc4[n-]nnc43)CCO2)n1 ZINC000328659295 488926982 /nfs/dbraw/zinc/92/69/82/488926982.db2.gz SMHRAWUSJRFDPP-GFCCVEGCSA-N -1 3 359.365 0.847 10 0 FCAEHM Cc1nc(C)n(C[C@H]2CN(C(=O)c3cc(F)cc4nn[n-]c43)CCO2)n1 ZINC000328659295 488926985 /nfs/dbraw/zinc/92/69/85/488926985.db2.gz SMHRAWUSJRFDPP-GFCCVEGCSA-N -1 3 359.365 0.847 10 0 FCAEHM Cc1nc(C)n(C[C@H]2CN(C(=O)c3cc(F)cc4n[n-]nc43)CCO2)n1 ZINC000328659295 488926989 /nfs/dbraw/zinc/92/69/89/488926989.db2.gz SMHRAWUSJRFDPP-GFCCVEGCSA-N -1 3 359.365 0.847 10 0 FCAEHM COc1cc(C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc2c1OCCO2 ZINC000279337885 488933303 /nfs/dbraw/zinc/93/33/03/488933303.db2.gz BMJDHPQEQGWXKN-KRWDZBQOSA-N -1 3 361.354 0.281 10 0 FCAEHM O=C(c1ccccc1)N1CSC[C@H]1C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000328960253 488955420 /nfs/dbraw/zinc/95/54/20/488955420.db2.gz PLFVVUIXGADIIL-OLZOCXBDSA-N -1 3 374.422 0.805 10 0 FCAEHM C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cn(C)c(=O)[n-]c1=O ZINC000288203399 488955853 /nfs/dbraw/zinc/95/58/53/488955853.db2.gz ILMYZJRIVJBVOO-ONGXEEELSA-N -1 3 352.391 0.614 10 0 FCAEHM CCN(CC(=O)Nc1c(F)cccc1F)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000042812230 487878960 /nfs/dbraw/zinc/87/89/60/487878960.db2.gz FGJIVILEQDNPLV-JTQLQIEISA-N -1 3 354.313 0.350 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000042816281 487879941 /nfs/dbraw/zinc/87/99/41/487879941.db2.gz CMZQZBNCRJCDJW-AWEZNQCLSA-N -1 3 358.398 0.527 10 0 FCAEHM Cc1cc(C)n(-c2ccc(CCNC(=O)C[C@@H]3NC(=O)[N-]C3=O)cc2)n1 ZINC000046856704 487995976 /nfs/dbraw/zinc/99/59/76/487995976.db2.gz FJYCTDSRTLEGET-HNNXBMFYSA-N -1 3 355.398 0.746 10 0 FCAEHM CCN(CCCNC(=O)c1cc(=O)c2ccccc2[n-]1)S(C)(=O)=O ZINC000056120888 488252802 /nfs/dbraw/zinc/25/28/02/488252802.db2.gz FJPKELNBYXIMEC-UHFFFAOYSA-N -1 3 351.428 0.930 10 0 FCAEHM Cc1oc2ncn(C)c(=O)c2c1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000068974039 488370259 /nfs/dbraw/zinc/37/02/59/488370259.db2.gz KTVAYWZFUAMCPW-UHFFFAOYSA-N -1 3 365.353 0.945 10 0 FCAEHM Cc1oc2ncn(C)c(=O)c2c1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000068974039 488370260 /nfs/dbraw/zinc/37/02/60/488370260.db2.gz KTVAYWZFUAMCPW-UHFFFAOYSA-N -1 3 365.353 0.945 10 0 FCAEHM COCCN1CCC[C@@H]1CNC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000069526778 488372884 /nfs/dbraw/zinc/37/28/84/488372884.db2.gz UTCRDHMRUQMCEG-CYBMUJFWSA-N -1 3 355.460 0.899 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCOCC(F)F ZINC000188731753 488412960 /nfs/dbraw/zinc/41/29/60/488412960.db2.gz IKTXTZKVKXBHAU-VIFPVBQESA-N -1 3 354.350 0.890 10 0 FCAEHM Cc1cc(-c2noc([C@@H](C)NC(=O)CN3CC(=O)[N-]C3=O)n2)ccc1F ZINC000268412157 488416400 /nfs/dbraw/zinc/41/64/00/488416400.db2.gz CTHXXJIDPLOWEF-SECBINFHSA-N -1 3 361.333 0.913 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCO[C@@H](c3cccs3)C2)c1 ZINC000268420051 488417227 /nfs/dbraw/zinc/41/72/27/488417227.db2.gz CLTGWCVAXLIIFJ-LLVKDONJSA-N -1 3 370.456 0.360 10 0 FCAEHM O=C(c1cccc([O-])c1)N1CCN(CCn2nc3ccccn3c2=O)CC1 ZINC000081012067 488438711 /nfs/dbraw/zinc/43/87/11/488438711.db2.gz PYZAXZFWJUVNOC-UHFFFAOYSA-N -1 3 367.409 0.660 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)Nc1cnc(N(C)C)nc1 ZINC000562910630 491200022 /nfs/dbraw/zinc/20/00/22/491200022.db2.gz DQHZXBXBISEYHW-UHFFFAOYSA-N -1 3 354.392 0.064 10 0 FCAEHM CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000271529915 488524919 /nfs/dbraw/zinc/52/49/19/488524919.db2.gz IHSDEYHGOBIMOW-QWHCGFSZSA-N -1 3 361.398 0.654 10 0 FCAEHM COc1nnc(NC(=O)c2ccc(OCC(=O)NC(C)C)c(OC)c2)[n-]1 ZINC000272542067 488587264 /nfs/dbraw/zinc/58/72/64/488587264.db2.gz RVFCWFRQFKDDNG-UHFFFAOYSA-N -1 3 363.374 0.978 10 0 FCAEHM COc1nc(NC(=O)c2ccc(OCC(=O)NC(C)C)c(OC)c2)n[n-]1 ZINC000272542067 488587267 /nfs/dbraw/zinc/58/72/67/488587267.db2.gz RVFCWFRQFKDDNG-UHFFFAOYSA-N -1 3 363.374 0.978 10 0 FCAEHM COc1n[n-]c(NC(=O)c2ccc(OCC(=O)NC(C)C)c(OC)c2)n1 ZINC000272542067 488587269 /nfs/dbraw/zinc/58/72/69/488587269.db2.gz RVFCWFRQFKDDNG-UHFFFAOYSA-N -1 3 363.374 0.978 10 0 FCAEHM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)C1 ZINC000272560986 488588616 /nfs/dbraw/zinc/58/86/16/488588616.db2.gz UIEHJRUODZPZSV-DCAQKATOSA-N -1 3 354.407 0.346 10 0 FCAEHM CN1CC[C@H](NC(=O)C[C@@H]2NC(=O)[N-]C2=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000124438007 488593041 /nfs/dbraw/zinc/59/30/41/488593041.db2.gz IDOGSFFWDFNQQQ-OBJOEFQTSA-N -1 3 368.796 0.939 10 0 FCAEHM CN(CC(=O)[O-])C[C@H]1CN(C(=O)COc2ccc(F)cc2F)CCO1 ZINC000262869263 488597404 /nfs/dbraw/zinc/59/74/04/488597404.db2.gz CQYBMXUAXQGVNK-LBPRGKRZSA-N -1 3 358.341 0.587 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccc(F)c(F)c1)N1CCN(C2CC2)CC1 ZINC000127721943 488619101 /nfs/dbraw/zinc/61/91/01/488619101.db2.gz IGCWHKPGLWECSX-UHFFFAOYSA-N -1 3 373.425 0.940 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCC(C(N)=O)CC1 ZINC000263692609 488619296 /nfs/dbraw/zinc/61/92/96/488619296.db2.gz MYCJIDQMBNHCFH-JTQLQIEISA-N -1 3 357.407 0.216 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CCN(c2cccnn2)CC1 ZINC000263853701 488631432 /nfs/dbraw/zinc/63/14/32/488631432.db2.gz ZIMWRTLMALSVQE-UHFFFAOYSA-N -1 3 367.456 0.165 10 0 FCAEHM CCC(=O)N1CSC[C@H]1C(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000263929409 488636611 /nfs/dbraw/zinc/63/66/11/488636611.db2.gz CAOGWQIQKMASJF-AWEZNQCLSA-N -1 3 365.455 0.940 10 0 FCAEHM Cn1ncc2c1ncc(C(=O)N[C@@H]1CCCN(c3cccnn3)C1)c2[O-] ZINC000132730219 488655023 /nfs/dbraw/zinc/65/50/23/488655023.db2.gz UCWNRAABJXARBO-LLVKDONJSA-N -1 3 353.386 0.863 10 0 FCAEHM NC(=O)[C@H]1CCC[C@H](NC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)C1 ZINC000133133988 488657898 /nfs/dbraw/zinc/65/78/98/488657898.db2.gz CSANRSSPEUYZHA-RYUDHWBXSA-N -1 3 358.398 0.240 10 0 FCAEHM Cc1nnc(CNC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)n1C ZINC000264322106 488663826 /nfs/dbraw/zinc/66/38/26/488663826.db2.gz KPYTWDVIONFPLW-VIFPVBQESA-N -1 3 355.395 0.246 10 0 FCAEHM C[C@H](CCNC(=O)CCn1[n-]c(=O)c2ccccc2c1=O)[S@@](C)=O ZINC000134762022 488669029 /nfs/dbraw/zinc/66/90/29/488669029.db2.gz ZMTYJUXYEHHTQK-JNDILOIQSA-N -1 3 351.428 0.353 10 0 FCAEHM COC(=O)CCS(=O)(=O)[N-]c1ccc(C)c(S(=O)(=O)N(C)C)c1 ZINC000264450608 488675010 /nfs/dbraw/zinc/67/50/10/488675010.db2.gz DMVFUPQFIYPXRK-UHFFFAOYSA-N -1 3 364.445 0.550 10 0 FCAEHM C[C@@H](O)CCNC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000136091867 488676394 /nfs/dbraw/zinc/67/63/94/488676394.db2.gz RRKBASBTCPDJNN-SSDOTTSWSA-N -1 3 371.278 0.676 10 0 FCAEHM O=C1[N-]C(=O)[C@H](Cc2nc(-c3cccc(OCC(F)(F)F)n3)no2)N1 ZINC000274005209 488678579 /nfs/dbraw/zinc/67/85/79/488678579.db2.gz XDXWQUYGSRZLOY-ZETCQYMHSA-N -1 3 357.248 0.823 10 0 FCAEHM CCO[C@@H]1C[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)[C@@H]1OC ZINC000274095161 488683163 /nfs/dbraw/zinc/68/31/63/488683163.db2.gz SBCGBZHXPMGKSA-ZGFBFQLVSA-N -1 3 374.434 0.801 10 0 FCAEHM C[C@@H]1CN(Cc2cccc(CNC(=O)CN3CC(=O)[N-]C3=O)c2)CCO1 ZINC000264667707 488696411 /nfs/dbraw/zinc/69/64/11/488696411.db2.gz ISYGMALRLZJDMV-CYBMUJFWSA-N -1 3 360.414 0.075 10 0 FCAEHM C[C@H](O)C[C@H]1COCCN1C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000274391849 488704348 /nfs/dbraw/zinc/70/43/48/488704348.db2.gz SNVAYKHBXJEUCP-AVGNSLFASA-N -1 3 374.434 0.491 10 0 FCAEHM CC[C@@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)c1c(C)nn(C)c1C ZINC000151725656 488709120 /nfs/dbraw/zinc/70/91/20/488709120.db2.gz NSJOOUQGSXHKCC-GFCCVEGCSA-N -1 3 368.463 0.316 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@@]3(CCOC3)C2)ccc1F ZINC000274517455 488716035 /nfs/dbraw/zinc/71/60/35/488716035.db2.gz XWGOXECLTIHYKX-HNNXBMFYSA-N -1 3 358.391 0.365 10 0 FCAEHM CN1C[C@@H]([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)CCC1=O ZINC000265622659 488721825 /nfs/dbraw/zinc/72/18/25/488721825.db2.gz ALOSSSGIKDNDDW-JTQLQIEISA-N -1 3 355.391 0.610 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000274638805 488724448 /nfs/dbraw/zinc/72/44/48/488724448.db2.gz DVVQNOPZQXFRQB-RYUDHWBXSA-N -1 3 355.753 0.977 10 0 FCAEHM CC(C)C1CCC(N2CCN(C(=O)C[C@@H]3NC(=O)[N-]C3=O)CC2)CC1 ZINC000152884112 488724741 /nfs/dbraw/zinc/72/47/41/488724741.db2.gz ZUIGCTYJAOXQQT-NRXISQOPSA-N -1 3 350.463 0.944 10 0 FCAEHM COC(=O)[C@@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1ccc(OC)c(Cl)c1 ZINC000274651224 488725442 /nfs/dbraw/zinc/72/54/42/488725442.db2.gz WUPUCQOGWJTOAO-CABZTGNLSA-N -1 3 369.761 0.277 10 0 FCAEHM C[C@H](CC[S@](C)=O)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000267091627 488760302 /nfs/dbraw/zinc/76/03/02/488760302.db2.gz MIAGUYJFCYBFKY-AUWXTCHYSA-N -1 3 364.464 0.766 10 0 FCAEHM CN1CC[C@@H]2CN(C(=O)C(=O)N3C[C@H](C(=O)[O-])[C@@H](c4ccccc4)C3)C[C@@H]21 ZINC000563144369 491220801 /nfs/dbraw/zinc/22/08/01/491220801.db2.gz WDQTXQTVACZBAN-NCOADZHNSA-N -1 3 371.437 0.476 10 0 FCAEHM COC(=O)NCCc1ccc(S(=O)(=O)[N-]Cc2nccn2C)s1 ZINC000276159254 488782962 /nfs/dbraw/zinc/78/29/62/488782962.db2.gz ATEIUMNYNIFBIS-UHFFFAOYSA-N -1 3 358.445 0.859 10 0 FCAEHM C[C@H](C[S@@](C)=O)N(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000159158455 488783810 /nfs/dbraw/zinc/78/38/10/488783810.db2.gz VZKFHTDPHMJENR-AUWXTCHYSA-N -1 3 364.464 0.718 10 0 FCAEHM CCNC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)OC)c(F)c2)C1 ZINC000277968392 488795001 /nfs/dbraw/zinc/79/50/01/488795001.db2.gz UTNBJMOTCPLZNV-SNVBAGLBSA-N -1 3 373.406 0.694 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(C(=O)C(C)C)CC2)c(C)o1 ZINC000267551480 488796636 /nfs/dbraw/zinc/79/66/36/488796636.db2.gz GSVMNUNMZXJPJD-UHFFFAOYSA-N -1 3 357.432 0.437 10 0 FCAEHM C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000278171171 488804429 /nfs/dbraw/zinc/80/44/29/488804429.db2.gz FWTRHPAAHBFLOI-JSGCOSHPSA-N -1 3 355.460 0.082 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000173004539 488839818 /nfs/dbraw/zinc/83/98/18/488839818.db2.gz OAPDYOMKMSQQAX-SNVBAGLBSA-N -1 3 358.363 0.552 10 0 FCAEHM C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1[nH]c(=O)[n-]c(=O)c1N ZINC000173977109 488846666 /nfs/dbraw/zinc/84/66/66/488846666.db2.gz IJSQAKPUZMLLPG-ZETCQYMHSA-N -1 3 367.203 0.769 10 0 FCAEHM C[C@@]1(c2ccc(C(=O)N3CC(F)(F)C[C@H]3CO)cc2)NC(=O)[N-]C1=O ZINC000364578479 488974420 /nfs/dbraw/zinc/97/44/20/488974420.db2.gz LGQAFNWUUBROQQ-NHYWBVRUSA-N -1 3 353.325 0.583 10 0 FCAEHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000288444252 488981993 /nfs/dbraw/zinc/98/19/93/488981993.db2.gz PELCPZIJYSBQSX-VIFPVBQESA-N -1 3 353.400 0.471 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000329430493 489004160 /nfs/dbraw/zinc/00/41/60/489004160.db2.gz IFCMREDNXNQGQO-UHFFFAOYSA-N -1 3 362.361 0.939 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-][C@@H]2CCN(c3ccccc3F)C2=O)C[C@H](C)O1 ZINC000329439948 489004505 /nfs/dbraw/zinc/00/45/05/489004505.db2.gz MUPLIXPHYOVXCW-MBNYWOFBSA-N -1 3 371.434 0.875 10 0 FCAEHM COc1cccc(CNC(=O)[C@@H](C)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000288786912 489016224 /nfs/dbraw/zinc/01/62/24/489016224.db2.gz CBMRUEKTFMZBRZ-TZMCWYRMSA-N -1 3 359.430 0.991 10 0 FCAEHM COc1cccc(CNC(=O)[C@@H](C)N2CCC(c3nc(=O)[n-][nH]3)CC2)c1 ZINC000280891539 489039013 /nfs/dbraw/zinc/03/90/13/489039013.db2.gz DDAFCWXXFNIBGM-GFCCVEGCSA-N -1 3 359.430 0.991 10 0 FCAEHM CC(=O)Nc1cccc(NC(=O)CN2CCC(c3nc(=O)[n-][nH]3)CC2)c1 ZINC000280915717 489040272 /nfs/dbraw/zinc/04/02/72/489040272.db2.gz FXWGKYJJFVLINA-UHFFFAOYSA-N -1 3 358.402 0.875 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@H]1CC(=O)N(C(C)C)C1 ZINC000289250971 489052707 /nfs/dbraw/zinc/05/27/07/489052707.db2.gz BARMLYWVDAUTAL-NSHDSACASA-N -1 3 358.416 0.971 10 0 FCAEHM CCOc1cccc(CNC(=O)CN2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000289418705 489066005 /nfs/dbraw/zinc/06/60/05/489066005.db2.gz MMWNOPIPTOCYCB-CQSZACIVSA-N -1 3 359.430 0.993 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]CCCN1CCCC1=O ZINC000289636169 489083128 /nfs/dbraw/zinc/08/31/28/489083128.db2.gz ZCDZGPSCROFTHA-UHFFFAOYSA-N -1 3 358.416 0.974 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C[C@H](CO)[C@@H]1CCOC1 ZINC000289655527 489084053 /nfs/dbraw/zinc/08/40/53/489084053.db2.gz BFRGWOMMBTVDTB-VXGBXAGGSA-N -1 3 361.416 0.606 10 0 FCAEHM CCOc1ccc(NC(=O)C[N-]S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000330426733 489100582 /nfs/dbraw/zinc/10/05/82/489100582.db2.gz WKOGYTORWAEECV-BETUJISGSA-N -1 3 371.459 0.967 10 0 FCAEHM Cc1nc(C)c(CCC(=O)N2CCN(CCC(=O)N(C)C)CC2)c(=O)[n-]1 ZINC000330457736 489103986 /nfs/dbraw/zinc/10/39/86/489103986.db2.gz PAUSHJNIWMEAPK-UHFFFAOYSA-N -1 3 363.462 0.354 10 0 FCAEHM CC[C@@H](CO)N1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)CC1 ZINC000330485872 489107798 /nfs/dbraw/zinc/10/77/98/489107798.db2.gz CKPJFLYLJBBFFO-HNNXBMFYSA-N -1 3 355.460 0.587 10 0 FCAEHM O=C1[C@H]([N-]S(=O)(=O)c2ccc(Cl)nc2)CCN1C1CCOCC1 ZINC000365815804 489116302 /nfs/dbraw/zinc/11/63/02/489116302.db2.gz LBZHQFQIIOZCBJ-GFCCVEGCSA-N -1 3 359.835 0.793 10 0 FCAEHM COC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000330674436 489131368 /nfs/dbraw/zinc/13/13/68/489131368.db2.gz QMGREMQOELGJKH-YDHLFZDLSA-N -1 3 356.444 0.714 10 0 FCAEHM COC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000330674434 489131556 /nfs/dbraw/zinc/13/15/56/489131556.db2.gz QMGREMQOELGJKH-GUTXKFCHSA-N -1 3 356.444 0.714 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000282170698 489141126 /nfs/dbraw/zinc/14/11/26/489141126.db2.gz NTTPMWOBQORKKK-BLLLJJGKSA-N -1 3 351.790 0.756 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)Nc1nnc2cc(C)ccn21 ZINC000290507954 489145659 /nfs/dbraw/zinc/14/56/59/489145659.db2.gz UYINAOFPNWJAPC-UHFFFAOYSA-N -1 3 364.387 0.560 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C[C@H](C)N1CCN(C)CC1 ZINC000290625478 489153842 /nfs/dbraw/zinc/15/38/42/489153842.db2.gz CHZQWOUDUUQRIQ-NSHDSACASA-N -1 3 373.475 0.597 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCOC[C@@H]1CC(F)F ZINC000290790745 489165843 /nfs/dbraw/zinc/16/58/43/489165843.db2.gz DNZKIQFUUZXGAR-JTQLQIEISA-N -1 3 367.374 0.452 10 0 FCAEHM CCC1(CC)CN(C(=O)c2ccc(S(=O)(=O)[N-]C)nc2)CC[S@@]1=O ZINC000331022665 489166239 /nfs/dbraw/zinc/16/62/39/489166239.db2.gz LKOLAQNVSNOSQJ-QHCPKHFHSA-N -1 3 373.500 0.753 10 0 FCAEHM CCC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)C1 ZINC000290809473 489166297 /nfs/dbraw/zinc/16/62/97/489166297.db2.gz SAUQUTGWJYAMJC-LLVKDONJSA-N -1 3 358.416 0.972 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)N1CCO[C@@]2(CCOC2)C1 ZINC000290866587 489170318 /nfs/dbraw/zinc/17/03/18/489170318.db2.gz ZZTOOPGPSLTCLH-HNNXBMFYSA-N -1 3 358.391 0.122 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2C(=O)NCC[C@H]2C)c(Cl)c1 ZINC000282584123 489176874 /nfs/dbraw/zinc/17/68/74/489176874.db2.gz PRSWERDXTUMWPN-PRHODGIISA-N -1 3 360.819 0.930 10 0 FCAEHM CC1=C([O-])N(C)S(=O)(=O)N1CC(=O)c1ccnc(C(F)(F)F)c1 ZINC000295405555 489192967 /nfs/dbraw/zinc/19/29/67/489192967.db2.gz SGAYQDJBLFOYDB-ZETCQYMHSA-N -1 3 351.306 0.690 10 0 FCAEHM O=C(Cc1ccc(-n2cnnn2)cc1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282857482 489194961 /nfs/dbraw/zinc/19/49/61/489194961.db2.gz HBUCRNWLHHQYEZ-LBPRGKRZSA-N -1 3 354.374 0.022 10 0 FCAEHM O=C(CCn1cnc2ccccc2c1=O)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000297617901 489214740 /nfs/dbraw/zinc/21/47/40/489214740.db2.gz AZMCSZCKWVTBMF-UHFFFAOYSA-N -1 3 367.369 0.436 10 0 FCAEHM O=C(CCn1cnc2ccccc2c1=O)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000297617901 489214743 /nfs/dbraw/zinc/21/47/43/489214743.db2.gz AZMCSZCKWVTBMF-UHFFFAOYSA-N -1 3 367.369 0.436 10 0 FCAEHM O=C(CCn1cnc2ccccc2c1=O)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000297617901 489214746 /nfs/dbraw/zinc/21/47/46/489214746.db2.gz AZMCSZCKWVTBMF-UHFFFAOYSA-N -1 3 367.369 0.436 10 0 FCAEHM CCCCC(=O)N1CSC[C@@H]1C(=O)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000297711679 489227691 /nfs/dbraw/zinc/22/76/91/489227691.db2.gz KVXMITNXJWAOJU-SNVBAGLBSA-N -1 3 366.447 0.727 10 0 FCAEHM CCCCC(=O)N1CSC[C@@H]1C(=O)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000297711679 489227694 /nfs/dbraw/zinc/22/76/94/489227694.db2.gz KVXMITNXJWAOJU-SNVBAGLBSA-N -1 3 366.447 0.727 10 0 FCAEHM CCCCC(=O)N1CSC[C@@H]1C(=O)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000297711679 489227696 /nfs/dbraw/zinc/22/76/96/489227696.db2.gz KVXMITNXJWAOJU-SNVBAGLBSA-N -1 3 366.447 0.727 10 0 FCAEHM CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2[n-]nnc2C(=O)NC2CC2)C1 ZINC000297751194 489234789 /nfs/dbraw/zinc/23/47/89/489234789.db2.gz OGQVDVBNDBSXFF-GHMZBOCLSA-N -1 3 362.434 0.920 10 0 FCAEHM CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2nn[n-]c2C(=O)NC2CC2)C1 ZINC000297751194 489234791 /nfs/dbraw/zinc/23/47/91/489234791.db2.gz OGQVDVBNDBSXFF-GHMZBOCLSA-N -1 3 362.434 0.920 10 0 FCAEHM CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2n[n-]nc2C(=O)NC2CC2)C1 ZINC000297751194 489234795 /nfs/dbraw/zinc/23/47/95/489234795.db2.gz OGQVDVBNDBSXFF-GHMZBOCLSA-N -1 3 362.434 0.920 10 0 FCAEHM CN1C(=O)CCc2cc(C(=O)Nc3[n-]nnc3C(=O)NC3CC3)ccc21 ZINC000297786132 489239924 /nfs/dbraw/zinc/23/99/24/489239924.db2.gz QYGZZBFHEVRCHW-UHFFFAOYSA-N -1 3 354.370 0.858 10 0 FCAEHM CN1C(=O)CCc2cc(C(=O)Nc3nn[n-]c3C(=O)NC3CC3)ccc21 ZINC000297786132 489239927 /nfs/dbraw/zinc/23/99/27/489239927.db2.gz QYGZZBFHEVRCHW-UHFFFAOYSA-N -1 3 354.370 0.858 10 0 FCAEHM CN1C(=O)CCc2cc(C(=O)Nc3n[n-]nc3C(=O)NC3CC3)ccc21 ZINC000297786132 489239931 /nfs/dbraw/zinc/23/99/31/489239931.db2.gz QYGZZBFHEVRCHW-UHFFFAOYSA-N -1 3 354.370 0.858 10 0 FCAEHM CN(C)c1nc(C(=O)Nc2ccc([C@]3(C)NC(=O)NC3=O)cc2)cc(=O)[n-]1 ZINC000555233665 491242457 /nfs/dbraw/zinc/24/24/57/491242457.db2.gz DETSIJOQFOQJKG-KRWDZBQOSA-N -1 3 370.369 0.555 10 0 FCAEHM O=S(=O)(CCCS(=O)(=O)N1CC2(CC2(F)F)C1)[N-]c1cn[nH]c1 ZINC000349462752 489291388 /nfs/dbraw/zinc/29/13/88/489291388.db2.gz UBNDTVXXUILZGM-UHFFFAOYSA-N -1 3 370.403 0.212 10 0 FCAEHM O=S(=O)(CCCS(=O)(=O)N1CC[C@@H]1C1CC1)[N-]c1ccnnc1 ZINC000349470427 489293317 /nfs/dbraw/zinc/29/33/17/489293317.db2.gz SICFCLGWPJPDMN-CYBMUJFWSA-N -1 3 360.461 0.423 10 0 FCAEHM Cc1ncc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)cn1 ZINC000349548364 489313141 /nfs/dbraw/zinc/31/31/41/489313141.db2.gz WUTZHRARNPZFRO-BTTYYORXSA-N -1 3 374.488 0.635 10 0 FCAEHM O=S(=O)(CCCCS(=O)(=O)N[C@H]1CCCOC1)[N-]c1cn[nH]c1 ZINC000349563487 489315833 /nfs/dbraw/zinc/31/58/33/489315833.db2.gz IHUFVQLCDGESDE-NSHDSACASA-N -1 3 366.465 0.030 10 0 FCAEHM Cc1n[nH]c(C)c1[N-]S(=O)(=O)CCCS(=O)(=O)NC[C@H]1C[C@H]1C ZINC000349567705 489317092 /nfs/dbraw/zinc/31/70/92/489317092.db2.gz NNXBFFJTCWIOAM-BXKDBHETSA-N -1 3 364.493 0.734 10 0 FCAEHM O=S(=O)(CCCCS(=O)(=O)N1CCCCCO1)[N-]c1cn[nH]c1 ZINC000349612179 489327885 /nfs/dbraw/zinc/32/78/85/489327885.db2.gz ULAOHXGTQBSFTR-UHFFFAOYSA-N -1 3 366.465 0.679 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCc2nc(C[C@@H]3CCCO3)no2)cn1C ZINC000349826064 489331883 /nfs/dbraw/zinc/33/18/83/489331883.db2.gz YFDAQLMGNPZBPB-NSHDSACASA-N -1 3 355.420 0.354 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)oc1C ZINC000370265190 489337260 /nfs/dbraw/zinc/33/72/60/489337260.db2.gz NBWFBYRJINXVFY-XRNSZHNASA-N -1 3 356.400 0.662 10 0 FCAEHM CC(C)[C@@H](NC(=O)c1ccccc1)c1noc(C[C@@H]2NC(=O)[N-]C2=O)n1 ZINC000350323972 489337972 /nfs/dbraw/zinc/33/79/72/489337972.db2.gz KJZNOKUNIKHDAC-WCQYABFASA-N -1 3 357.370 0.947 10 0 FCAEHM CCCCNC(=O)OC[C@H]1CCCCN1C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000286116374 489357869 /nfs/dbraw/zinc/35/78/69/489357869.db2.gz WPNKTVJGGMCWNI-NEPJUHHUSA-N -1 3 354.407 0.492 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CCO[C@]2(CCCOC2)C1 ZINC000286416470 489389634 /nfs/dbraw/zinc/38/96/34/489389634.db2.gz QDADEMCHTNMGBP-CQSZACIVSA-N -1 3 360.457 0.434 10 0 FCAEHM CC(C)[C@@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1nc(-c2cccnc2)no1 ZINC000362728511 489395025 /nfs/dbraw/zinc/39/50/25/489395025.db2.gz VBKPCKRVEUZLDP-CMPLNLGQSA-N -1 3 358.358 0.543 10 0 FCAEHM COC(=O)[C@@H]1CCN(C(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000299015345 489395082 /nfs/dbraw/zinc/39/50/82/489395082.db2.gz QSKMTIWHUYZHDQ-LLVKDONJSA-N -1 3 357.366 0.692 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)c2ccnc(O[C@H]3CCOC3)c2)nc1=N ZINC000555529329 491252511 /nfs/dbraw/zinc/25/25/11/491252511.db2.gz BAYDVDSLQFVRQV-QWHCGFSZSA-N -1 3 358.402 0.768 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)c2cn(CC(=O)C(C)(C)C)nn2)nc1=N ZINC000555530838 491252805 /nfs/dbraw/zinc/25/28/05/491252805.db2.gz USMBCVKYBKZHNG-NSHDSACASA-N -1 3 360.422 0.412 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000363185720 489435495 /nfs/dbraw/zinc/43/54/95/489435495.db2.gz DXNZXNYTERREDN-NSHDSACASA-N -1 3 350.806 0.834 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)c(C)o1 ZINC000371064760 489447728 /nfs/dbraw/zinc/44/77/28/489447728.db2.gz MFJVROZATCRHCE-MRVWCRGKSA-N -1 3 372.443 0.905 10 0 FCAEHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000363437834 489466967 /nfs/dbraw/zinc/46/69/67/489466967.db2.gz YACGWKCQRNKUPO-IRUJWGPZSA-N -1 3 370.402 0.900 10 0 FCAEHM COc1cc(C(=O)Nc2cc(-c3nccn3C)[n-]n2)ccc1OCC(N)=O ZINC000371279784 489472980 /nfs/dbraw/zinc/47/29/80/489472980.db2.gz KYLLXXIIQUOHKM-UHFFFAOYSA-N -1 3 370.369 0.935 10 0 FCAEHM COc1cc(C(=O)Nc2cc(-c3nccn3C)n[n-]2)ccc1OCC(N)=O ZINC000371279784 489472982 /nfs/dbraw/zinc/47/29/82/489472982.db2.gz KYLLXXIIQUOHKM-UHFFFAOYSA-N -1 3 370.369 0.935 10 0 FCAEHM O=C(c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)N1CCNC(=O)CC1 ZINC000371510380 489486526 /nfs/dbraw/zinc/48/65/26/489486526.db2.gz LISHWIDHYXOLAK-UHFFFAOYSA-N -1 3 355.391 0.229 10 0 FCAEHM O=C(NCCN1C(=O)CCC1=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000371679341 489497265 /nfs/dbraw/zinc/49/72/65/489497265.db2.gz MOAQQTKNKXYXHO-CYBMUJFWSA-N -1 3 359.382 0.262 10 0 FCAEHM COC(=O)c1csc(S(=O)(=O)[N-]CCc2nnc3n2CCCC3)c1 ZINC000414464194 489500178 /nfs/dbraw/zinc/50/01/78/489500178.db2.gz PDHRWYHAESLYCV-UHFFFAOYSA-N -1 3 370.456 0.984 10 0 FCAEHM CCOc1ccncc1S(=O)(=O)[N-][C@@H](C(=O)OC)c1ccn(C)n1 ZINC000451445854 489504448 /nfs/dbraw/zinc/50/44/48/489504448.db2.gz NFJVIPPQGBMTIA-CYBMUJFWSA-N -1 3 354.388 0.406 10 0 FCAEHM COC(=O)CCCS(=O)(=O)[N-][C@@H]1CCCN(c2cccnc2)C1=O ZINC000371747655 489505620 /nfs/dbraw/zinc/50/56/20/489505620.db2.gz SHDKZMFQBZEDRS-CYBMUJFWSA-N -1 3 355.416 0.450 10 0 FCAEHM CN1C(=O)CC[C@@H]([N-]S(=O)(=O)c2cnccc2C(F)(F)F)C1=O ZINC000425219559 489518621 /nfs/dbraw/zinc/51/86/21/489518621.db2.gz HCDPTJNHBYRWKD-MRVPVSSYSA-N -1 3 351.306 0.526 10 0 FCAEHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000371928820 489525943 /nfs/dbraw/zinc/52/59/43/489525943.db2.gz OHAXIJJIQQZMDQ-ZETCQYMHSA-N -1 3 350.766 0.527 10 0 FCAEHM C[C@]1(c2cccc(C(=O)NC3CCC(C(N)=O)CC3)c2)NC(=O)[N-]C1=O ZINC000425915912 489549124 /nfs/dbraw/zinc/54/91/24/489549124.db2.gz FECYUVVSKRRSMC-TWPJBNHHSA-N -1 3 358.398 0.515 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)c3cn(C4CCOCC4)nn3)cc2n(C)c1=O ZINC000570769358 491262754 /nfs/dbraw/zinc/26/27/54/491262754.db2.gz HPGABEHHNYSRAZ-UHFFFAOYSA-N -1 3 372.385 0.778 10 0 FCAEHM COc1cc(NC(=O)c2cnc([O-])n(C)c2=O)ccc1OCCN(C)C ZINC000416340694 489584579 /nfs/dbraw/zinc/58/45/79/489584579.db2.gz KSVCXJWKOGCZQQ-UHFFFAOYSA-N -1 3 362.386 0.687 10 0 FCAEHM C[C@H]1CCCc2nc(S(=O)(=O)[N-]CC(=O)NCc3ccco3)cn21 ZINC000416373689 489586198 /nfs/dbraw/zinc/58/61/98/489586198.db2.gz MAOQEDUFLFALNT-NSHDSACASA-N -1 3 352.416 0.968 10 0 FCAEHM C[C@H]1CCCc2nc(S(=O)(=O)[N-]CCCN3CCC(O)CC3)cn21 ZINC000416405148 489590086 /nfs/dbraw/zinc/59/00/86/489590086.db2.gz SEDRULWKNOAURM-ZDUSSCGKSA-N -1 3 356.492 0.906 10 0 FCAEHM COC(=O)C[C@]1([N-]S(=O)(=O)c2cn3c(n2)CCC[C@H]3C)CCOC1 ZINC000416464473 489595913 /nfs/dbraw/zinc/59/59/13/489595913.db2.gz HURDQGQBTZHWJG-IAQYHMDHSA-N -1 3 357.432 0.781 10 0 FCAEHM COCCc1cc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)n(C)n1 ZINC000427206186 489597690 /nfs/dbraw/zinc/59/76/90/489597690.db2.gz OIRRNNTUTFPJGJ-JTQLQIEISA-N -1 3 372.472 0.976 10 0 FCAEHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@@H](CO)c1ccnn1C ZINC000416551037 489608545 /nfs/dbraw/zinc/60/85/45/489608545.db2.gz RPEJRVOWHFJVHN-VIFPVBQESA-N -1 3 357.388 0.374 10 0 FCAEHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@H](CO)c1ccnn1C ZINC000416551030 489608837 /nfs/dbraw/zinc/60/88/37/489608837.db2.gz RPEJRVOWHFJVHN-SECBINFHSA-N -1 3 357.388 0.374 10 0 FCAEHM CN(C)C(=O)C1([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)CC1 ZINC000416583055 489613845 /nfs/dbraw/zinc/61/38/45/489613845.db2.gz HOTYIWDVEYXGLK-UHFFFAOYSA-N -1 3 355.391 0.610 10 0 FCAEHM COC(=O)[C@@H](CC1CC1)[N-]S(=O)(=O)C1CN(C(=O)c2ccccc2)C1 ZINC000416585488 489614489 /nfs/dbraw/zinc/61/44/89/489614489.db2.gz NSBJJMYBAPTTOE-OAHLLOKOSA-N -1 3 366.439 0.772 10 0 FCAEHM CCS(=O)(=O)CCC[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000416628788 489619293 /nfs/dbraw/zinc/61/92/93/489619293.db2.gz YLZODBZWCHAMCV-UHFFFAOYSA-N -1 3 367.445 0.786 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CC[C@H](C)C[C@@H]1C(N)=O ZINC000428128258 489638436 /nfs/dbraw/zinc/63/84/36/489638436.db2.gz AUFFPHOTUGVZMT-GMXVVIOVSA-N -1 3 371.434 0.605 10 0 FCAEHM COCCOc1ccc(F)cc1S(=O)(=O)[N-]CCCn1ccnn1 ZINC000469058664 489687526 /nfs/dbraw/zinc/68/75/26/489687526.db2.gz SSZRYNYEINFSMU-UHFFFAOYSA-N -1 3 358.395 0.811 10 0 FCAEHM COC(=O)Cn1cc(S(=O)(=O)[N-]CC[C@@H](OC)C(F)(F)F)cn1 ZINC000469221090 489695814 /nfs/dbraw/zinc/69/58/14/489695814.db2.gz FSZMSMGEWCWEAL-SECBINFHSA-N -1 3 359.326 0.302 10 0 FCAEHM COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@H]1CCC(=O)N(C)C1 ZINC000469301508 489701314 /nfs/dbraw/zinc/70/13/14/489701314.db2.gz SWMWETPASOONCG-LBPRGKRZSA-N -1 3 360.407 0.750 10 0 FCAEHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@H](O)Cc2cnn(C)c2)c1 ZINC000469429621 489708063 /nfs/dbraw/zinc/70/80/63/489708063.db2.gz GEUKTNOOYBFICW-CQSZACIVSA-N -1 3 352.416 0.642 10 0 FCAEHM COc1ccc(-n2cc(C[N-]S(=O)(=O)c3cnn(C)c3C)nn2)cc1 ZINC000489603801 489719943 /nfs/dbraw/zinc/71/99/43/489719943.db2.gz IOMLZSDOFRSSJZ-UHFFFAOYSA-N -1 3 362.415 0.796 10 0 FCAEHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N1C[C@H](C(N)=O)CC[C@H]1C ZINC000430236785 489726564 /nfs/dbraw/zinc/72/65/64/489726564.db2.gz HNCGHMBMKPKXGH-RKDXNWHRSA-N -1 3 353.400 0.586 10 0 FCAEHM CCOC(=O)[C@H](Cc1ccccn1)NC(=O)CNC(=O)c1cccc([O-])c1 ZINC000430482096 489740097 /nfs/dbraw/zinc/74/00/97/489740097.db2.gz HWTGLBCXOYCFQW-INIZCTEOSA-N -1 3 371.393 0.808 10 0 FCAEHM CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000430494040 489741096 /nfs/dbraw/zinc/74/10/96/489741096.db2.gz IDUGZVVWZDIPDK-OAHLLOKOSA-N -1 3 367.361 0.869 10 0 FCAEHM COc1cc2[nH]c(CCCNC(=O)C[C@@H]3NC(=O)[N-]C3=O)cc2c(OC)c1 ZINC000490148868 489750920 /nfs/dbraw/zinc/75/09/20/489750920.db2.gz OUYXDRBBXDVIMF-AWEZNQCLSA-N -1 3 374.397 0.832 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2C[C@H](C)O[C@H](C)[C@H]2C)cn1C ZINC000474342367 489755843 /nfs/dbraw/zinc/75/58/43/489755843.db2.gz UYBUZMYCFWKTBY-QJPTWQEYSA-N -1 3 358.464 0.421 10 0 FCAEHM C/C=C\C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]C)nc1)C(=O)OCC ZINC000474423335 489762296 /nfs/dbraw/zinc/76/22/96/489762296.db2.gz ZCIMTLYXEWSKTF-RNZFLTOJSA-N -1 3 355.416 0.617 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C)C(=O)Cc2ccccc2)cn1 ZINC000474524680 489766938 /nfs/dbraw/zinc/76/69/38/489766938.db2.gz QMKFEEFLNYLUCG-LBPRGKRZSA-N -1 3 361.423 0.920 10 0 FCAEHM COc1nc(NC(=O)CCC(=O)N2CCN(c3ccccc3)CC2)n[n-]1 ZINC000490659575 489779026 /nfs/dbraw/zinc/77/90/26/489779026.db2.gz IFRZUWVFGDUXQO-UHFFFAOYSA-N -1 3 358.402 0.881 10 0 FCAEHM COc1nnc(NC(=O)CCC(=O)N2CCN(c3ccccc3)CC2)[n-]1 ZINC000490659575 489779028 /nfs/dbraw/zinc/77/90/28/489779028.db2.gz IFRZUWVFGDUXQO-UHFFFAOYSA-N -1 3 358.402 0.881 10 0 FCAEHM COc1n[n-]c(NC(=O)CCC(=O)N2CCN(c3ccccc3)CC2)n1 ZINC000490659575 489779031 /nfs/dbraw/zinc/77/90/31/489779031.db2.gz IFRZUWVFGDUXQO-UHFFFAOYSA-N -1 3 358.402 0.881 10 0 FCAEHM COC(=O)C[C@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1ccc(Cl)cc1 ZINC000490884781 489788441 /nfs/dbraw/zinc/78/84/41/489788441.db2.gz PBNBXQKYHSXHMT-QWRGUYRKSA-N -1 3 353.762 0.659 10 0 FCAEHM CCNS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H](CC)C(=O)OC ZINC000491592811 489809051 /nfs/dbraw/zinc/80/90/51/489809051.db2.gz YXTMSWNMZKNIPO-SNVBAGLBSA-N -1 3 364.445 0.215 10 0 FCAEHM CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1c[n-]c(C(=O)OC)c1 ZINC000433092033 489865752 /nfs/dbraw/zinc/86/57/52/489865752.db2.gz PLCDHWZJMFDYDD-UHFFFAOYSA-N -1 3 363.395 0.912 10 0 FCAEHM COC[C@@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)[C@H]1CCCO1 ZINC000433450084 489884510 /nfs/dbraw/zinc/88/45/10/489884510.db2.gz KUXCWNCHSSOMMP-VXGBXAGGSA-N -1 3 363.457 0.562 10 0 FCAEHM Cc1ccc2cccnc2c1S(=O)(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000433450928 489884647 /nfs/dbraw/zinc/88/46/47/489884647.db2.gz AQTTYSYZTALMLD-KRWDZBQOSA-N -1 3 374.422 0.906 10 0 FCAEHM CCCCN(CCCC)S(=O)(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000433454506 489885632 /nfs/dbraw/zinc/88/56/32/489885632.db2.gz OKMQKCHBWKGRCN-OAHLLOKOSA-N -1 3 360.480 0.807 10 0 FCAEHM CN(Cc1cnccn1)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000433660609 489895791 /nfs/dbraw/zinc/89/57/91/489895791.db2.gz QMZZVBUCWQXNSX-UHFFFAOYSA-N -1 3 374.419 0.808 10 0 FCAEHM COCC[C@@H](COC)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000461262253 489900443 /nfs/dbraw/zinc/90/04/43/489900443.db2.gz GCPUSQQCDFJCMY-QWRGUYRKSA-N -1 3 350.462 0.583 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)CCC1=O ZINC000433861688 489902805 /nfs/dbraw/zinc/90/28/05/489902805.db2.gz DUAIOWMNELZVSN-SECBINFHSA-N -1 3 364.420 0.797 10 0 FCAEHM CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000433942370 489905795 /nfs/dbraw/zinc/90/57/95/489905795.db2.gz OAGQVNYTPBWIOX-ZDUSSCGKSA-N -1 3 366.447 0.693 10 0 FCAEHM CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000433942370 489905796 /nfs/dbraw/zinc/90/57/96/489905796.db2.gz OAGQVNYTPBWIOX-ZDUSSCGKSA-N -1 3 366.447 0.693 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCCc2c(C)nn(C)c2C)c(C)o1 ZINC000433944358 489906767 /nfs/dbraw/zinc/90/67/67/489906767.db2.gz YUUUMOIPXKQAKA-UHFFFAOYSA-N -1 3 354.432 0.819 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)[C@@](C)(O)Cn3ccccc3=O)cc2n(C)c1=O ZINC000461617850 489922299 /nfs/dbraw/zinc/92/22/99/489922299.db2.gz HOOZOUJAMJNQLW-SFHVURJKSA-N -1 3 372.381 0.134 10 0 FCAEHM CC(C)CS(=O)(=O)CC(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000461619475 489922753 /nfs/dbraw/zinc/92/27/53/489922753.db2.gz REGHUPRFFHQYPM-UHFFFAOYSA-N -1 3 355.416 0.592 10 0 FCAEHM COCCN1CC[C@@H](NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000377579563 489925101 /nfs/dbraw/zinc/92/51/01/489925101.db2.gz DYMFLBKUWCOXPQ-GDBMZVCRSA-N -1 3 361.442 0.834 10 0 FCAEHM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000495180453 489929490 /nfs/dbraw/zinc/92/94/90/489929490.db2.gz NDAYUERZVAGNBY-ZJUUUORDSA-N -1 3 355.366 0.787 10 0 FCAEHM C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCc1ncccc1[O-] ZINC000477135775 489945854 /nfs/dbraw/zinc/94/58/54/489945854.db2.gz JAFVNRYOOKLGGK-INIZCTEOSA-N -1 3 362.386 0.019 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-][C@H](C)C2(S(C)(=O)=O)CC2)CCC1 ZINC000462075030 489955870 /nfs/dbraw/zinc/95/58/70/489955870.db2.gz PRSNPBRYBURYOE-SNVBAGLBSA-N -1 3 353.462 0.215 10 0 FCAEHM CC(=O)Nc1cccc(NC(=O)CN2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000434786381 489957144 /nfs/dbraw/zinc/95/71/44/489957144.db2.gz OMXYNKBUEPGBAS-KRWDZBQOSA-N -1 3 359.386 0.258 10 0 FCAEHM COc1ccccc1[C@H](C)N(C)C(=O)CN1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000434799702 489957853 /nfs/dbraw/zinc/95/78/53/489957853.db2.gz VMFWNHVLKBCMPZ-ORAYPTAESA-N -1 3 374.441 0.889 10 0 FCAEHM COC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000477746360 489989115 /nfs/dbraw/zinc/98/91/15/489989115.db2.gz NGPQOCRJVYBBQX-SNVBAGLBSA-N -1 3 371.390 0.692 10 0 FCAEHM COCCCS(=O)(=O)[N-]CC(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1 ZINC000435413773 490001251 /nfs/dbraw/zinc/00/12/51/490001251.db2.gz WZCLBOPSTFXGJV-ZDUSSCGKSA-N -1 3 369.443 0.185 10 0 FCAEHM O=C(CC[C@H]1NC(=O)[N-]C1=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000378096710 490009159 /nfs/dbraw/zinc/00/91/59/490009159.db2.gz XGRDLYHKTMATNX-GXSJLCMTSA-N -1 3 351.794 0.418 10 0 FCAEHM CN(C)S(=O)(=O)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436618772 490010138 /nfs/dbraw/zinc/01/01/38/490010138.db2.gz MUOAHPCUMIMFEX-ZDUSSCGKSA-N -1 3 369.443 0.004 10 0 FCAEHM COCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])C(=O)OC ZINC000436827763 490013778 /nfs/dbraw/zinc/01/37/78/490013778.db2.gz GEAOVMDAQYWWAP-KBPBESRZSA-N -1 3 364.398 0.691 10 0 FCAEHM NC(=O)C1CCC(NC(=O)NCC[N-]S(=O)(=O)c2cccs2)CC1 ZINC000437994736 490032152 /nfs/dbraw/zinc/03/21/52/490032152.db2.gz PWKWKBUBYJQFNJ-UHFFFAOYSA-N -1 3 374.488 0.370 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000378308475 490044579 /nfs/dbraw/zinc/04/45/79/490044579.db2.gz CYQMGIJTGLTQRY-NSHDSACASA-N -1 3 368.752 0.252 10 0 FCAEHM CCC(=O)N1CSC[C@@H]1C(=O)Nc1c(C(=O)OC)c[n-]c1C(=O)OC ZINC000464457895 490057054 /nfs/dbraw/zinc/05/70/54/490057054.db2.gz GPTCKSYWHODDLH-SECBINFHSA-N -1 3 369.399 0.838 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NCc1cc2c(cc1OC(F)F)OCO2 ZINC000465049216 490077686 /nfs/dbraw/zinc/07/76/86/490077686.db2.gz VDAAUKNQIJJMCF-UHFFFAOYSA-N -1 3 357.269 0.185 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CC(n2ccnn2)C1 ZINC000378545177 490086384 /nfs/dbraw/zinc/08/63/84/490086384.db2.gz DWCHPYNHSORMEW-UHFFFAOYSA-N -1 3 361.836 0.355 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)cc1F ZINC000445048701 490123045 /nfs/dbraw/zinc/12/30/45/490123045.db2.gz ILEUCYJWZXMERW-RULNRJAQSA-N -1 3 370.402 0.900 10 0 FCAEHM O=C(N[C@H](c1ccccc1)[C@H]1CCOC1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000545434814 490134855 /nfs/dbraw/zinc/13/48/55/490134855.db2.gz QAQBKKWYEBOSMV-SOUVJXGZSA-N -1 3 358.398 0.710 10 0 FCAEHM O=C(NCc1ccccc1-n1cccn1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000545435399 490135548 /nfs/dbraw/zinc/13/55/48/490135548.db2.gz QEDYJVNJEGFESF-AWEZNQCLSA-N -1 3 354.370 0.318 10 0 FCAEHM CC1(C)CN(S(=O)(=O)[N-][C@H](c2nc[nH]n2)c2ccccc2)CCO1 ZINC000445711421 490142751 /nfs/dbraw/zinc/14/27/51/490142751.db2.gz HICVRJIBIQEUQI-ZDUSSCGKSA-N -1 3 351.432 0.839 10 0 FCAEHM C[C@]1(c2cccc(C(=O)N3CCCC[C@@H]3CC(N)=O)c2)NC(=O)[N-]C1=O ZINC000497327792 490147740 /nfs/dbraw/zinc/14/77/40/490147740.db2.gz UIYSSLBQVLWGFQ-FZKQIMNGSA-N -1 3 358.398 0.611 10 0 FCAEHM O=C(NCc1ncccc1[O-])C(=O)Nc1cn(Cc2ccccc2)nn1 ZINC000556210197 491303394 /nfs/dbraw/zinc/30/33/94/491303394.db2.gz QATZBOOTFQFBDE-UHFFFAOYSA-N -1 3 352.354 0.682 10 0 FCAEHM CO[C@]1(CO)CCCN(C(=O)CC[N-]S(=O)(=O)c2cccs2)C1 ZINC000401742150 490174802 /nfs/dbraw/zinc/17/48/02/490174802.db2.gz SIRWVAIWJKYVNY-CQSZACIVSA-N -1 3 362.473 0.416 10 0 FCAEHM COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)[N-]CC(F)(F)CO ZINC000466590749 490198539 /nfs/dbraw/zinc/19/85/39/490198539.db2.gz WLMQFUGAHAGESJ-UHFFFAOYSA-N -1 3 364.370 0.950 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]Cc1ccc(S(C)(=O)=O)s1)C1CC1 ZINC000564445522 491306950 /nfs/dbraw/zinc/30/69/50/491306950.db2.gz AVDGYRLGPQJMNS-NSHDSACASA-N -1 3 353.487 0.996 10 0 FCAEHM CNC(=O)[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000497933763 490233964 /nfs/dbraw/zinc/23/39/64/490233964.db2.gz GINOBEXXGKFZGI-GHMZBOCLSA-N -1 3 360.457 0.283 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCN(C[C@@H](O)COC[C@@H]2CCCO2)CC1 ZINC000533525939 490248203 /nfs/dbraw/zinc/24/82/03/490248203.db2.gz HTJNXMUBKPWLSF-CVEARBPZSA-N -1 3 364.442 0.707 10 0 FCAEHM O=C(NC[C@H]1CC[C@H](c2ccccc2)O1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000521380378 490254158 /nfs/dbraw/zinc/25/41/58/490254158.db2.gz JEYAPDGJXGYDHC-QLFBSQMISA-N -1 3 358.398 0.852 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]CCN1CCO[C@H](C)C1 ZINC000571511785 491312512 /nfs/dbraw/zinc/31/25/12/491312512.db2.gz WLXZXIURKKQYNL-SNVBAGLBSA-N -1 3 360.432 0.682 10 0 FCAEHM CCS(=O)(=O)[N-]Cc1nc(-c2ccc(N3CCN(C)CC3)nc2)no1 ZINC000547015191 490265853 /nfs/dbraw/zinc/26/58/53/490265853.db2.gz DAMNIBNFBIPNRL-UHFFFAOYSA-N -1 3 366.447 0.323 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCCC[C@@H]2C(N)=O)c(C)o1 ZINC000467207237 490268921 /nfs/dbraw/zinc/26/89/21/490268921.db2.gz OAEPWIDNBPTETC-CMPLNLGQSA-N -1 3 357.432 0.660 10 0 FCAEHM O=C(N[C@@H]1CCN(c2ccc(F)cc2)C1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000521578767 490276363 /nfs/dbraw/zinc/27/63/63/490276363.db2.gz LICRIUAXXWVRIY-OCCSQVGLSA-N -1 3 361.377 0.350 10 0 FCAEHM COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2cc(=O)[n-]c(N(C)C)n2)C1 ZINC000547325716 490279453 /nfs/dbraw/zinc/27/94/53/490279453.db2.gz WACGZSMAKAPBIT-RYUDHWBXSA-N -1 3 365.434 0.252 10 0 FCAEHM COc1ccnc(N2CCN(C(=O)c3cc(=O)[n-]c(N(C)C)n3)CC2)c1 ZINC000547325909 490279669 /nfs/dbraw/zinc/27/96/69/490279669.db2.gz KWWZPXBVQQXVRO-UHFFFAOYSA-N -1 3 358.402 0.614 10 0 FCAEHM C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)[N-]CC(=O)N1CCCc2ccccc21 ZINC000408237516 490282786 /nfs/dbraw/zinc/28/27/86/490282786.db2.gz OKQABQVENJWUGM-KGLIPLIRSA-N -1 3 367.471 0.909 10 0 FCAEHM COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](CO)C[C@H](O)C(C)(C)C ZINC000556406131 491314468 /nfs/dbraw/zinc/31/44/68/491314468.db2.gz GICATFQPHYGEGI-SCZZXKLOSA-N -1 3 366.461 0.366 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCS(=O)(=O)C(C)(C)C2)c(C)o1 ZINC000408249384 490287761 /nfs/dbraw/zinc/28/77/61/490287761.db2.gz TZOCGQOWGUNKLP-UHFFFAOYSA-N -1 3 364.445 0.145 10 0 FCAEHM O=C(CCCNC(=O)C[C@@H]1NC(=O)[N-]C1=O)Nc1ccc(Cl)cc1 ZINC000533869375 490293229 /nfs/dbraw/zinc/29/32/29/490293229.db2.gz PZQLPUNUDJELCW-NSHDSACASA-N -1 3 352.778 0.773 10 0 FCAEHM CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000533880171 490295008 /nfs/dbraw/zinc/29/50/08/490295008.db2.gz CQNRUPCGCQYUQI-KRWDZBQOSA-N -1 3 369.421 0.938 10 0 FCAEHM CN1CCO[C@@H]2CN(C(=O)c3ccc(F)c([N-]S(C)(=O)=O)c3)C[C@H]21 ZINC000408294293 490299101 /nfs/dbraw/zinc/29/91/01/490299101.db2.gz LOAYYWUURJUMNO-ZIAGYGMSSA-N -1 3 357.407 0.352 10 0 FCAEHM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000498511777 490305559 /nfs/dbraw/zinc/30/55/59/490305559.db2.gz XDVBHHZIBWOLQB-LOWVWBTDSA-N -1 3 371.434 0.523 10 0 FCAEHM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000498511774 490305594 /nfs/dbraw/zinc/30/55/94/490305594.db2.gz XDVBHHZIBWOLQB-DMDPSCGWSA-N -1 3 371.434 0.523 10 0 FCAEHM CCOC(=O)[C@H](CCOC)NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000467832943 490345977 /nfs/dbraw/zinc/34/59/77/490345977.db2.gz FHJOJDUBCBHZEO-ZDUSSCGKSA-N -1 3 358.416 0.756 10 0 FCAEHM O=C(Cn1cc(NC(=O)NCc2ncccc2[O-])cn1)N1CCOCC1 ZINC000467936992 490350133 /nfs/dbraw/zinc/35/01/33/490350133.db2.gz DWTAKGXRBQILIQ-UHFFFAOYSA-N -1 3 360.374 0.164 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)CCN2c3ccccc3OCC2=O)nc1=N ZINC000571660104 491321748 /nfs/dbraw/zinc/32/17/48/491321748.db2.gz AMPYUSBZZCIKBK-CYBMUJFWSA-N -1 3 370.413 0.707 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](CO)c2cccnc2)c(C)o1 ZINC000571675366 491322506 /nfs/dbraw/zinc/32/25/06/491322506.db2.gz FARVXHCLURABTO-LBPRGKRZSA-N -1 3 353.400 0.397 10 0 FCAEHM CC(=O)N[C@@H](CC(=O)Nc1[n-]nnc1C(=O)NC1CC1)c1cccs1 ZINC000411103084 490389096 /nfs/dbraw/zinc/38/90/96/490389096.db2.gz FKWVLQQBUHAIJS-JTQLQIEISA-N -1 3 362.415 0.964 10 0 FCAEHM CC(=O)N[C@@H](CC(=O)Nc1nn[n-]c1C(=O)NC1CC1)c1cccs1 ZINC000411103084 490389101 /nfs/dbraw/zinc/38/91/01/490389101.db2.gz FKWVLQQBUHAIJS-JTQLQIEISA-N -1 3 362.415 0.964 10 0 FCAEHM CC(=O)N[C@@H](CC(=O)Nc1n[n-]nc1C(=O)NC1CC1)c1cccs1 ZINC000411103084 490389108 /nfs/dbraw/zinc/38/91/08/490389108.db2.gz FKWVLQQBUHAIJS-JTQLQIEISA-N -1 3 362.415 0.964 10 0 FCAEHM COC(=O)c1cccc2nc(NC(=O)[C@@](C)(O)Cn3ccccc3=O)[n-]c21 ZINC000468415486 490401164 /nfs/dbraw/zinc/40/11/64/490401164.db2.gz XUKSKORYDFBYOP-SFHVURJKSA-N -1 3 370.365 0.901 10 0 FCAEHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@](C)(O)Cn3ccccc3=O)nc21 ZINC000468415486 490401171 /nfs/dbraw/zinc/40/11/71/490401171.db2.gz XUKSKORYDFBYOP-SFHVURJKSA-N -1 3 370.365 0.901 10 0 FCAEHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C[C@@]1(CCO)CCOC1 ZINC000534741643 490404929 /nfs/dbraw/zinc/40/49/29/490404929.db2.gz FHWCXGQKAFIGNE-OAHLLOKOSA-N -1 3 361.391 0.680 10 0 FCAEHM COc1cc(F)c(S(=O)(=O)[N-]C[C@]2(CCO)CCOC2)cc1OC ZINC000534742867 490405231 /nfs/dbraw/zinc/40/52/31/490405231.db2.gz JQYRQUSJJYOXFA-HNNXBMFYSA-N -1 3 363.407 0.910 10 0 FCAEHM COC(=O)C[C@H](NC(=O)c1c[n-]c2cc(OC)ccc2c1=O)C(=O)OC ZINC000411271483 490420368 /nfs/dbraw/zinc/42/03/68/490420368.db2.gz LEHPRAYOZAKCDC-ZDUSSCGKSA-N -1 3 362.338 0.371 10 0 FCAEHM COC(=O)C[C@@H](NC(=O)c1c[n-]c2cc(OC)ccc2c1=O)C(=O)OC ZINC000411271481 490420420 /nfs/dbraw/zinc/42/04/20/490420420.db2.gz LEHPRAYOZAKCDC-CYBMUJFWSA-N -1 3 362.338 0.371 10 0 FCAEHM COc1c(C)cc(C)cc1S(=O)(=O)N1CCC2(CC1)NC(=O)[N-]C2=O ZINC000509432805 490427296 /nfs/dbraw/zinc/42/72/96/490427296.db2.gz VBNWKQSACBAJPU-UHFFFAOYSA-N -1 3 367.427 0.675 10 0 FCAEHM CC(C)n1ncnc1C[N-]S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000564787097 491326191 /nfs/dbraw/zinc/32/61/91/491326191.db2.gz ZQNKSYZZTIBYKY-UHFFFAOYSA-N -1 3 363.399 0.563 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)N1CCO[C@@H](C2CC2)C1 ZINC000548255636 490450579 /nfs/dbraw/zinc/45/05/79/490450579.db2.gz UEEYJFCYYRGNTM-MRXNPFEDSA-N -1 3 355.394 0.895 10 0 FCAEHM CCCc1nc(=NC(=O)C(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)s[n-]1 ZINC000411417788 490453783 /nfs/dbraw/zinc/45/37/83/490453783.db2.gz FDCIZANBUBZYDD-RYUDHWBXSA-N -1 3 351.476 0.794 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000535322038 490479216 /nfs/dbraw/zinc/47/92/16/490479216.db2.gz NZSHFFJGXNGTOX-LBPRGKRZSA-N -1 3 356.338 0.746 10 0 FCAEHM CCOC(=O)[C@H](CC)C(=O)NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000411857224 490486952 /nfs/dbraw/zinc/48/69/52/490486952.db2.gz LZBMOTBPLVVXHM-FZKQIMNGSA-N -1 3 361.398 0.947 10 0 FCAEHM CS(=O)(=O)CCCS(=O)(=O)[N-]Cc1noc(-c2ccccc2)n1 ZINC000510060675 490488405 /nfs/dbraw/zinc/48/84/05/490488405.db2.gz LAVYVFKQIXKJHR-UHFFFAOYSA-N -1 3 359.429 0.591 10 0 FCAEHM COCc1nc(C(=O)NCc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)co1 ZINC000548501307 490493061 /nfs/dbraw/zinc/49/30/61/490493061.db2.gz PBUHXUMLAQDPOM-QGZVFWFLSA-N -1 3 358.354 0.806 10 0 FCAEHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H](C)C1(S(C)(=O)=O)CC1 ZINC000510471147 490520049 /nfs/dbraw/zinc/52/00/49/490520049.db2.gz GFQHROTVSIIDLN-MRVPVSSYSA-N -1 3 367.470 0.779 10 0 FCAEHM CN1C[C@@H](NC(=O)Nc2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)CCC1=O ZINC000535814317 490533287 /nfs/dbraw/zinc/53/32/87/490533287.db2.gz IAWMLWUBFHEIGN-STQMWFEESA-N -1 3 359.386 0.179 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]C[C@H](N2CCOCC2)C(F)(F)F)c1 ZINC000510995914 490554040 /nfs/dbraw/zinc/55/40/40/490554040.db2.gz JZBALDJERRMKDJ-JTQLQIEISA-N -1 3 356.370 0.444 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)N[C@H]2[C@@H]3CCC[C@@H]32)ccc1F ZINC000500894628 490560830 /nfs/dbraw/zinc/56/08/30/490560830.db2.gz VBHQPWDYCXFGII-IWIIMEHWSA-N -1 3 355.391 0.587 10 0 FCAEHM Cc1ncc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c(N)n1 ZINC000556844133 491340324 /nfs/dbraw/zinc/34/03/24/491340324.db2.gz PSUZTQKLUAUSPN-AWEZNQCLSA-N -1 3 355.398 0.994 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1 ZINC000511329960 490581372 /nfs/dbraw/zinc/58/13/72/490581372.db2.gz WYTISUAIYKVBKB-NWDGAFQWSA-N -1 3 364.493 0.289 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-]CCc2nnc3n2CCC3)c(C)o1 ZINC000549520693 490587487 /nfs/dbraw/zinc/58/74/87/490587487.db2.gz YYTIZASVZHXBLW-UHFFFAOYSA-N -1 3 354.388 0.433 10 0 FCAEHM O=C(Cc1coc(-c2ccc(F)cc2)n1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000536543195 490588614 /nfs/dbraw/zinc/58/86/14/490588614.db2.gz UCFKCMDAXOHBHC-ZDUSSCGKSA-N -1 3 358.329 0.786 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)Cn2cc(-c3ccccc3)nn2)nc1=N ZINC000549723745 490596670 /nfs/dbraw/zinc/59/66/70/490596670.db2.gz CSCFUESEZAGDHC-AWEZNQCLSA-N -1 3 352.402 0.850 10 0 FCAEHM COCCNC(=O)c1cccc(NC(=O)C(=O)NCc2ncccc2[O-])c1 ZINC000501518752 490611318 /nfs/dbraw/zinc/61/13/18/490611318.db2.gz BTHVBBMXTRDPHC-UHFFFAOYSA-N -1 3 372.381 0.418 10 0 FCAEHM NC(=O)c1ccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)cn1 ZINC000501517045 490611888 /nfs/dbraw/zinc/61/18/88/490611888.db2.gz HKGDARXMFDXIIE-UHFFFAOYSA-N -1 3 374.831 0.812 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)nc1=N ZINC000550118949 490627615 /nfs/dbraw/zinc/62/76/15/490627615.db2.gz XRYHLDVZZKWTHW-BDAKNGLRSA-N -1 3 360.340 0.302 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)NC[C@@]2(O)CCCC(C)(C)C2)c1 ZINC000525873408 490644507 /nfs/dbraw/zinc/64/45/07/490644507.db2.gz DAOUXRKMIPQNFY-OAHLLOKOSA-N -1 3 358.464 0.146 10 0 FCAEHM COc1cc(NC(=O)CN2CC(=O)[N-]C2=O)cc(OC)c1Br ZINC000537211092 490661271 /nfs/dbraw/zinc/66/12/71/490661271.db2.gz KOTCJAJFFWPVLU-UHFFFAOYSA-N -1 3 372.175 0.957 10 0 FCAEHM CC(=O)N1CC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000556930321 491344123 /nfs/dbraw/zinc/34/41/23/491344123.db2.gz NGCSGMBOZSRHRN-HOCLYGCPSA-N -1 3 359.426 0.981 10 0 FCAEHM CCCC(=O)NCC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000502066029 490673770 /nfs/dbraw/zinc/67/37/70/490673770.db2.gz HBHINMHHCURCBV-UHFFFAOYSA-N -1 3 367.880 0.712 10 0 FCAEHM CS(=O)(=O)c1cccnc1C[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000486850707 490676318 /nfs/dbraw/zinc/67/63/18/490676318.db2.gz BNOMPHFDKOHYEJ-UHFFFAOYSA-N -1 3 370.408 0.692 10 0 FCAEHM CCn1cc(S(=O)(=O)[N-]C[C@H](Cc2ccc(F)cc2)C(N)=O)nc1C ZINC000502461009 490705800 /nfs/dbraw/zinc/70/58/00/490705800.db2.gz VLXLYNXFKZPQBS-ZDUSSCGKSA-N -1 3 368.434 0.973 10 0 FCAEHM CN1C(=O)CCc2cc(NC(=O)C(=O)NCc3ncccc3[O-])ccc21 ZINC000527177500 490706420 /nfs/dbraw/zinc/70/64/20/490706420.db2.gz CLLRHYMQTLJRMO-UHFFFAOYSA-N -1 3 354.366 0.951 10 0 FCAEHM C[C@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)c1ccc2c(c1)OCO2 ZINC000502477849 490706744 /nfs/dbraw/zinc/70/67/44/490706744.db2.gz FEOHNLVJVRATTL-JTQLQIEISA-N -1 3 366.399 0.305 10 0 FCAEHM O=C(NC(CO)CO)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000527204930 490708279 /nfs/dbraw/zinc/70/82/79/490708279.db2.gz LIKHGFPFSZKPHE-UHFFFAOYSA-N -1 3 357.363 0.038 10 0 FCAEHM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cnc(CC)s1 ZINC000487374101 490709622 /nfs/dbraw/zinc/70/96/22/490709622.db2.gz ZRMUOAHKJIGPOR-BDAKNGLRSA-N -1 3 363.461 0.440 10 0 FCAEHM Cc1nc(CN(C)C(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)no1 ZINC000538684144 490743955 /nfs/dbraw/zinc/74/39/55/490743955.db2.gz CGGDEBNGWQSZNC-UHFFFAOYSA-N -1 3 355.354 0.608 10 0 FCAEHM Cc1nc(C)c(CCC(=O)N2CCC[C@@H](S(=O)(=O)N(C)C)C2)c(=O)[n-]1 ZINC000557080449 491352071 /nfs/dbraw/zinc/35/20/71/491352071.db2.gz QDHUYICLUPWYLY-CYBMUJFWSA-N -1 3 370.475 0.614 10 0 FCAEHM O=S(=O)([N-][C@@H]1CCCN(c2ncccn2)C1)c1cn2c(n1)CCCC2 ZINC000503435474 490756215 /nfs/dbraw/zinc/75/62/15/490756215.db2.gz NBZYVLWYTPMPIE-CYBMUJFWSA-N -1 3 362.459 0.957 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)NCCOc2ccc(F)cc2F)c1 ZINC000503689680 490771437 /nfs/dbraw/zinc/77/14/37/490771437.db2.gz VTMGJERJVFRNLY-UHFFFAOYSA-N -1 3 374.369 0.172 10 0 FCAEHM NS(=O)(=O)c1ccc(C(=O)[N-]c2nncn2Cc2ccccc2)nc1 ZINC000539526542 490787735 /nfs/dbraw/zinc/78/77/35/490787735.db2.gz XRBNJXFJAVWTRY-UHFFFAOYSA-N -1 3 358.383 0.621 10 0 FCAEHM COC(=O)[C@@H](CF)NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000514884616 490795732 /nfs/dbraw/zinc/79/57/32/490795732.db2.gz LXFSGBIBLOMQOA-CYBMUJFWSA-N -1 3 362.361 0.700 10 0 FCAEHM COc1cccc(-c2nc(C(=O)N3CCN4C(=O)[N-]C(=O)[C@H]4C3)no2)c1 ZINC000539808225 490796769 /nfs/dbraw/zinc/79/67/69/490796769.db2.gz XEAJTXYNGMHUHU-LLVKDONJSA-N -1 3 357.326 0.121 10 0 FCAEHM CCn1ncc(C[N-]S(=O)(=O)c2cc(C)cc(S(C)(=O)=O)c2C)n1 ZINC000528444357 490798240 /nfs/dbraw/zinc/79/82/40/490798240.db2.gz CLZXEUJHROLFCL-UHFFFAOYSA-N -1 3 372.472 0.797 10 0 FCAEHM CCn1ncc(C[N-]S(=O)(=O)c2c(OC)cc(OC)cc2OC)n1 ZINC000528448119 490798311 /nfs/dbraw/zinc/79/83/11/490798311.db2.gz WBODKYGNCOSCFZ-UHFFFAOYSA-N -1 3 356.404 0.802 10 0 FCAEHM Cc1ncc(S(=O)(=O)[N-]C[C@]2(CO)COCC3(CCC3)N2C)s1 ZINC000528481618 490801878 /nfs/dbraw/zinc/80/18/78/490801878.db2.gz QRRQLJCALIEZDR-AWEZNQCLSA-N -1 3 361.489 0.346 10 0 FCAEHM CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@]12C[C@@H]1COC2(C)C ZINC000528488556 490803242 /nfs/dbraw/zinc/80/32/42/490803242.db2.gz INDANQQWDCPYQB-YGRLFVJLSA-N -1 3 360.457 0.441 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000540031127 490805174 /nfs/dbraw/zinc/80/51/74/490805174.db2.gz VVMUDVNDWLAQDM-ZDUSSCGKSA-N -1 3 357.366 0.672 10 0 FCAEHM O=C(c1ccc(O[C@@H]2CC2(F)F)cc1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000528782976 490827819 /nfs/dbraw/zinc/82/78/19/490827819.db2.gz LERIDNDYFQCTNS-NWDGAFQWSA-N -1 3 351.309 0.849 10 0 FCAEHM COC(=O)CCS(=O)(=O)[N-]c1ccc(C(=O)N2CCC(O)CC2)cc1 ZINC000515630003 490833444 /nfs/dbraw/zinc/83/34/44/490833444.db2.gz OHFYFGRHPSYNLZ-UHFFFAOYSA-N -1 3 370.427 0.588 10 0 FCAEHM O=C(c1cn(CC2CC2)nn1)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000515769891 490838020 /nfs/dbraw/zinc/83/80/20/490838020.db2.gz IQDHARXINHMVPT-UHFFFAOYSA-N -1 3 355.398 0.992 10 0 FCAEHM CCn1ncc(CNC(=O)Nc2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)n1 ZINC000529041057 490838812 /nfs/dbraw/zinc/83/88/12/490838812.db2.gz KBXVCAJGQAVSSQ-ZDUSSCGKSA-N -1 3 357.374 0.370 10 0 FCAEHM Cc1cc(C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c(C)n1[C@H]1CCOC1 ZINC000529211148 490845843 /nfs/dbraw/zinc/84/58/43/490845843.db2.gz LJHLSVUVNBCAJS-SCLBCKFNSA-N -1 3 360.414 0.881 10 0 FCAEHM COc1cc(C(=O)N2CC[C@H](N(C)Cc3cc(=O)[n-]c(N)n3)C2)cc(C)n1 ZINC000505973387 490846291 /nfs/dbraw/zinc/84/62/91/490846291.db2.gz IVKWUAJPHIVYBU-AWEZNQCLSA-N -1 3 372.429 0.823 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)c2ccc3c(c2)N(C)C(=O)CO3)nc1=N ZINC000529264636 490846982 /nfs/dbraw/zinc/84/69/82/490846982.db2.gz BVJYVVVPSXTKFU-NSHDSACASA-N -1 3 356.386 0.560 10 0 FCAEHM O=C(CNC(=O)[C@@H]1[C@@H]2CCCO[C@H]12)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC000506009483 490847609 /nfs/dbraw/zinc/84/76/09/490847609.db2.gz VWMYJUVAFPWTHH-PCTYZZJISA-N -1 3 358.354 0.521 10 0 FCAEHM O=C(CNC(=O)[C@@H]1[C@@H]2CCCO[C@H]12)Nc1cccc2c(=O)[n-][nH]c(=O)c12 ZINC000506009483 490847611 /nfs/dbraw/zinc/84/76/11/490847611.db2.gz VWMYJUVAFPWTHH-PCTYZZJISA-N -1 3 358.354 0.521 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)NCCCn1ccnn1 ZINC000541502410 490864229 /nfs/dbraw/zinc/86/42/29/490864229.db2.gz SMMNNTDHGPWPCW-UHFFFAOYSA-N -1 3 354.370 0.056 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)CO[C@H](C)c2nccn2C)s1 ZINC000516752980 490876278 /nfs/dbraw/zinc/87/62/78/490876278.db2.gz CKYRJYACCYPHSG-SNVBAGLBSA-N -1 3 372.472 0.784 10 0 FCAEHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c1 ZINC000542044379 490883144 /nfs/dbraw/zinc/88/31/44/490883144.db2.gz BRDSUEMEUSPKFT-IUPBHXKESA-N -1 3 370.402 0.900 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@@H]2C[C@H]2c2ccsc2)cn1C ZINC000529999970 490885702 /nfs/dbraw/zinc/88/57/02/490885702.db2.gz VHLMXTQCSYEHCM-NWDGAFQWSA-N -1 3 354.457 0.741 10 0 FCAEHM CC1(C)CN(S(=O)(=O)[N-][C@@H]2CCCN(c3cccnc3)C2=O)CCO1 ZINC000542239625 490889455 /nfs/dbraw/zinc/88/94/55/490889455.db2.gz IXPYWQDOFWHFSI-CQSZACIVSA-N -1 3 368.459 0.522 10 0 FCAEHM Cc1nnc(Cn2cc(I)c(=O)[n-]c2=O)s1 ZINC000565241297 491363658 /nfs/dbraw/zinc/36/36/58/491363658.db2.gz CNKXYSUDBLNXAJ-UHFFFAOYSA-N -1 3 350.141 0.762 10 0 FCAEHM O=S(=O)(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCn2nncc2C1 ZINC000517757171 490920033 /nfs/dbraw/zinc/92/00/33/490920033.db2.gz NNGAPXNHNCLCLN-UHFFFAOYSA-N -1 3 366.794 0.316 10 0 FCAEHM O=S(=O)(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCn2nncc2C1 ZINC000517757171 490920034 /nfs/dbraw/zinc/92/00/34/490920034.db2.gz NNGAPXNHNCLCLN-UHFFFAOYSA-N -1 3 366.794 0.316 10 0 FCAEHM COc1ncc(CS(=O)(=O)c2n[n-]c(=O)n2C[C@@H]2CCCO2)c(C)n1 ZINC000543080580 490921486 /nfs/dbraw/zinc/92/14/86/490921486.db2.gz BUAJGMWIGUIVPY-NSHDSACASA-N -1 3 369.403 0.244 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC[C@@H]2CCOC2)cc1F ZINC000543178124 490924187 /nfs/dbraw/zinc/92/41/87/490924187.db2.gz MZISDGJQWOILME-SNVBAGLBSA-N -1 3 366.436 0.902 10 0 FCAEHM CCN1CCN(CC(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)CC1 ZINC000531051421 490937737 /nfs/dbraw/zinc/93/77/37/490937737.db2.gz ANAYHCBIOUNIQM-UHFFFAOYSA-N -1 3 370.475 0.643 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC[C@@H](O)C(F)(F)F ZINC000543631511 490939698 /nfs/dbraw/zinc/93/96/98/490939698.db2.gz NTKSDJUPDUKQPK-SNVBAGLBSA-N -1 3 361.363 0.682 10 0 FCAEHM O=S(=O)([N-]CCCn1cc(CO)nn1)c1cnccc1C(F)(F)F ZINC000519034512 490959642 /nfs/dbraw/zinc/95/96/42/490959642.db2.gz VUTMMZCPMRUKFL-UHFFFAOYSA-N -1 3 365.337 0.553 10 0 FCAEHM COCCOc1cccc(CNC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)c1 ZINC000544778477 490980827 /nfs/dbraw/zinc/98/08/27/490980827.db2.gz DCXBKNRHPALNMN-AWEZNQCLSA-N -1 3 362.386 0.157 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)Nc2cccc3c2OCCC3)cn1C ZINC000532382210 490991970 /nfs/dbraw/zinc/99/19/70/490991970.db2.gz ZTZWTTGTPRICMV-UHFFFAOYSA-N -1 3 364.427 0.971 10 0 FCAEHM CCc1cccc(C(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c1[O-] ZINC000554155266 491180370 /nfs/dbraw/zinc/18/03/70/491180370.db2.gz RLGPHMJGLCPQHN-CYBMUJFWSA-N -1 3 355.460 0.955 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)c2ccc(N3CCNC3=O)cc2)nc1=N ZINC000562767604 491187306 /nfs/dbraw/zinc/18/73/06/491187306.db2.gz VFDIPGJDBHVIJY-CYBMUJFWSA-N -1 3 355.402 0.735 10 0 FCAEHM Cn1cc(N2CC[C@@H](NC(=O)c3cc(=O)c4ccccc4[n-]3)C2=O)cn1 ZINC000565327789 491369998 /nfs/dbraw/zinc/36/99/98/491369998.db2.gz LLJDFSWAGPUDSV-CQSZACIVSA-N -1 3 351.366 0.797 10 0 FCAEHM C[C@@H](NC(=O)CNC(=O)c1cccnc1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000673507993 493337209 /nfs/dbraw/zinc/33/72/09/493337209.db2.gz FFRZIBDRINGIAD-VXGBXAGGSA-N -1 3 371.397 0.692 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)Nc2cn(C)nc2C2CC2)cn1C ZINC000572691684 491387407 /nfs/dbraw/zinc/38/74/07/491387407.db2.gz HKGRSCVLNIUVQW-UHFFFAOYSA-N -1 3 352.420 0.256 10 0 FCAEHM O=C(NCCCc1cc(=O)[nH][n-]1)[C@@H]1CSCN1C(=O)c1ccccc1 ZINC000673544982 493343321 /nfs/dbraw/zinc/34/33/21/493343321.db2.gz MTKDGOJLCZUNJZ-AWEZNQCLSA-N -1 3 360.439 0.974 10 0 FCAEHM COc1ccccc1N1CC[C@H](NC(=O)c2cc(=O)[n-]c(N(C)C)n2)C1=O ZINC000559007736 491451723 /nfs/dbraw/zinc/45/17/23/491451723.db2.gz LGFORIQOAZICMU-NSHDSACASA-N -1 3 371.397 0.792 10 0 FCAEHM COC(=O)COc1ccc(C(=O)N2CCC[C@H]2c2nc(=N)n(C)[n-]2)cc1 ZINC000566801720 491467808 /nfs/dbraw/zinc/46/78/08/491467808.db2.gz DJBJTMXKAUCNJT-ZDUSSCGKSA-N -1 3 359.386 0.757 10 0 FCAEHM COC(=O)COc1ccc(C(=O)N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)cc1 ZINC000566801719 491468110 /nfs/dbraw/zinc/46/81/10/491468110.db2.gz DJBJTMXKAUCNJT-CYBMUJFWSA-N -1 3 359.386 0.757 10 0 FCAEHM O=C(NCCc1ccc2ccccc2n1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000567035222 491481733 /nfs/dbraw/zinc/48/17/33/491481733.db2.gz UMESPYFITYYTEX-HNNXBMFYSA-N -1 3 353.382 0.723 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)C[C@H](NC(N)=O)c2ccccc2)nc1=N ZINC000574284769 491486543 /nfs/dbraw/zinc/48/65/43/491486543.db2.gz WFNKUGNCLRGFMR-QWHCGFSZSA-N -1 3 357.418 0.691 10 0 FCAEHM CCN(CC)CCN(CCOC)C(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000567867094 491535943 /nfs/dbraw/zinc/53/59/43/491535943.db2.gz GHLMKDCVOVGRDV-HUUCEWRRSA-N -1 3 371.478 0.372 10 0 FCAEHM CCn1nccc1S(=O)(=O)N1CCC[C@@H]1C[C@]1(C)NC(=O)[N-]C1=O ZINC000560471443 491540914 /nfs/dbraw/zinc/54/09/14/491540914.db2.gz JLRGNUQISQHFGQ-YGRLFVJLSA-N -1 3 355.420 0.044 10 0 FCAEHM COc1ccc(C[C@H](CO)C[N-]S(=O)(=O)c2cscn2)cc1O ZINC000575744586 491557817 /nfs/dbraw/zinc/55/78/17/491557817.db2.gz DKHUFDSRJKSONF-NSHDSACASA-N -1 3 358.441 0.987 10 0 FCAEHM CCS(=O)(=O)c1ccc([C@H](C)NC(=O)CN2CC(=O)[N-]C2=O)cc1 ZINC000560842631 491560128 /nfs/dbraw/zinc/56/01/28/491560128.db2.gz PBKDPWKPMBPLTO-JTQLQIEISA-N -1 3 353.400 0.209 10 0 FCAEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](CO)[C@@H]1CCCOC1 ZINC000568264060 491563910 /nfs/dbraw/zinc/56/39/10/491563910.db2.gz TUWSVMYYCJDYBC-PWSUYJOCSA-N -1 3 360.388 0.669 10 0 FCAEHM CN(C)c1nc(C(=O)NCC2(NS(C)(=O)=O)CCCCC2)cc(=O)[n-]1 ZINC000683400569 493350644 /nfs/dbraw/zinc/35/06/44/493350644.db2.gz BKODECHARQPNOW-UHFFFAOYSA-N -1 3 371.463 0.230 10 0 FCAEHM C[C@H]1CCCc2nc(S(=O)(=O)[N-]C[C@@H]3CCCCN3CCO)cn21 ZINC000561104336 491575011 /nfs/dbraw/zinc/57/50/11/491575011.db2.gz OHMIVVFWEGCTTG-KBPBESRZSA-N -1 3 356.492 0.906 10 0 FCAEHM CCn1nc(C(=O)N2CCC[C@H]2c2nc(=N)n(C)[n-]2)c(=O)c2ccccc21 ZINC000577069769 491585890 /nfs/dbraw/zinc/58/58/90/491585890.db2.gz UONNQAVWWOBHJD-ZDUSSCGKSA-N -1 3 367.413 0.935 10 0 FCAEHM CNS(=O)(=O)c1ccc(CN2CCC(c3n[nH]c(=O)[n-]3)CC2)cc1 ZINC000660451134 493353240 /nfs/dbraw/zinc/35/32/40/493353240.db2.gz YMOACIBMJSQJJP-UHFFFAOYSA-N -1 3 351.432 0.798 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2c(C(=O)NC[C@@H]3CCC[C@H]3O)cc(C3CC3)nc21 ZINC000576322937 491604467 /nfs/dbraw/zinc/60/44/67/491604467.db2.gz VQCFQAVRDNMGRA-GXFFZTMASA-N -1 3 358.398 0.802 10 0 FCAEHM Cn1nccc1[C@@H](CO)[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000577231977 491605394 /nfs/dbraw/zinc/60/53/94/491605394.db2.gz UPDRIEILEDILDV-MRVPVSSYSA-N -1 3 350.322 0.846 10 0 FCAEHM C[C@@H](C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1ccnn1C ZINC000568747053 491606208 /nfs/dbraw/zinc/60/62/08/491606208.db2.gz GHOCMIMCFRHLSH-SNVBAGLBSA-N -1 3 372.397 0.897 10 0 FCAEHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cnn3c2OCCC3)[C@H]1n1cccn1 ZINC000577366406 491615532 /nfs/dbraw/zinc/61/55/32/491615532.db2.gz GCZBZYCIUCPPBC-OUCADQQQSA-N -1 3 367.431 0.559 10 0 FCAEHM O=C(NC[C@H]1CC[C@@H](c2ccccc2)O1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000568941377 491621030 /nfs/dbraw/zinc/62/10/30/491621030.db2.gz JEYAPDGJXGYDHC-KFWWJZLASA-N -1 3 358.398 0.852 10 0 FCAEHM CCC1(CC)NC(=O)N(CC(=O)N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)C1=O ZINC000569172048 491639814 /nfs/dbraw/zinc/63/98/14/491639814.db2.gz OMSPASNASORVGJ-SNVBAGLBSA-N -1 3 363.422 0.002 10 0 FCAEHM CCOc1ccccc1C(=O)NCC(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1 ZINC000561946786 491641329 /nfs/dbraw/zinc/64/13/29/491641329.db2.gz LFRICZUGKXXJEQ-ZDUSSCGKSA-N -1 3 372.429 0.720 10 0 FCAEHM C[C@@H]1CCN(CC(=O)N(CCC(N)=O)Cc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000569361775 491656389 /nfs/dbraw/zinc/65/63/89/491656389.db2.gz RNEWWNJJDYEGNJ-ZBFHGGJFSA-N -1 3 361.442 0.933 10 0 FCAEHM C[C@H]1CN(S(=O)(=O)[N-]Cc2ncn(-c3ccccc3)n2)C[C@H](C)O1 ZINC000578383652 491676041 /nfs/dbraw/zinc/67/60/41/491676041.db2.gz VVESKWLSDFJACA-STQMWFEESA-N -1 3 351.432 0.711 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-]Cc2ncn(-c3ccccc3)n2)C[C@@H](C)O1 ZINC000578383651 491676066 /nfs/dbraw/zinc/67/60/66/491676066.db2.gz VVESKWLSDFJACA-CHWSQXEVSA-N -1 3 351.432 0.711 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)NCc1cccc(CO)n1 ZINC000579175690 491692534 /nfs/dbraw/zinc/69/25/34/491692534.db2.gz YCSVYPQEZFFGMZ-UHFFFAOYSA-N -1 3 354.366 0.696 10 0 FCAEHM CC[C@H]([N-]S(=O)(=O)Cc1cccc(S(C)(=O)=O)c1)[C@H](O)C(F)F ZINC000580096810 491717489 /nfs/dbraw/zinc/71/74/89/491717489.db2.gz QDIKIGMFRCYPFV-RYUDHWBXSA-N -1 3 371.427 0.914 10 0 FCAEHM Cc1ccc(F)c(S(=O)(=O)[N-]CCCN2CCCS2(=O)=O)c1 ZINC000585808980 491730245 /nfs/dbraw/zinc/73/02/45/491730245.db2.gz CSXRVNWZULKBNM-UHFFFAOYSA-N -1 3 350.437 0.838 10 0 FCAEHM COC(=O)[C@H](NC(=O)C[N-]S(=O)(=O)c1ccccc1F)C(C)(C)C ZINC000589446683 491762072 /nfs/dbraw/zinc/76/20/72/491762072.db2.gz IQWRJCKUPXAASZ-ZDUSSCGKSA-N -1 3 360.407 0.808 10 0 FCAEHM CCN(CC)CCS(=O)(=O)[N-][C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000581457786 491773950 /nfs/dbraw/zinc/77/39/50/491773950.db2.gz MHZZDTAXOOSFHE-ZDUSSCGKSA-N -1 3 357.480 0.177 10 0 FCAEHM COC(=O)COc1ccc(C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000581864797 491787877 /nfs/dbraw/zinc/78/78/77/491787877.db2.gz VCGHDDFZDMWZSI-KRWDZBQOSA-N -1 3 361.354 0.053 10 0 FCAEHM CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000591171695 491797751 /nfs/dbraw/zinc/79/77/51/491797751.db2.gz YFXHCBOACJTQPH-JQWIXIFHSA-N -1 3 357.407 0.230 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)[C@H](C)CN1CCO ZINC000582475125 491813701 /nfs/dbraw/zinc/81/37/01/491813701.db2.gz GQTZIYMHEHGASP-VPZZIHKRSA-N -1 3 374.441 0.268 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)NCc1cccc(CO)n1 ZINC000582495874 491815342 /nfs/dbraw/zinc/81/53/42/491815342.db2.gz CBNOJQUCSIRHGQ-UHFFFAOYSA-N -1 3 355.441 0.620 10 0 FCAEHM O=C(Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1)C1CN(CC(F)(F)F)C1 ZINC000582624926 491820476 /nfs/dbraw/zinc/82/04/76/491820476.db2.gz UYLILLGZJLTKEU-LBPRGKRZSA-N -1 3 370.331 0.870 10 0 FCAEHM O=C(Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1)C1CN(CC(F)(F)F)C1 ZINC000582624925 491820607 /nfs/dbraw/zinc/82/06/07/491820607.db2.gz UYLILLGZJLTKEU-GFCCVEGCSA-N -1 3 370.331 0.870 10 0 FCAEHM COC(=O)[C@@H](CC(C)(C)C)[N-]S(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000592075639 491830477 /nfs/dbraw/zinc/83/04/77/491830477.db2.gz NTDODHOVCIJRRL-LLVKDONJSA-N -1 3 355.478 0.461 10 0 FCAEHM CC[C@@H](C[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)C(=O)OC ZINC000592078604 491830724 /nfs/dbraw/zinc/83/07/24/491830724.db2.gz QJEYYYCEZVQZBN-VIFPVBQESA-N -1 3 367.420 0.707 10 0 FCAEHM COC(C)(C)CS(=O)(=O)NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000583533160 491846793 /nfs/dbraw/zinc/84/67/93/491846793.db2.gz IJUCKDUSLPESBX-INIZCTEOSA-N -1 3 369.443 0.586 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@@H]1CC(=O)N(C2CC2)C1 ZINC000584318822 491862988 /nfs/dbraw/zinc/86/29/88/491862988.db2.gz CEZGOLHCDQJCNG-SNVBAGLBSA-N -1 3 356.400 0.725 10 0 FCAEHM COC(=O)[C@@]1([N-]S(=O)(=O)CCCS(C)(=O)=O)CC[C@@H](C)CC1 ZINC000594837927 491864270 /nfs/dbraw/zinc/86/42/70/491864270.db2.gz WCUZUCBCGOUKLC-AULYBMBSSA-N -1 3 355.478 0.462 10 0 FCAEHM CC(C)(C)OC(=O)[C@]1([N-]S(=O)(=O)c2cnn3c2OCCC3)CCOC1 ZINC000594845573 491865500 /nfs/dbraw/zinc/86/55/00/491865500.db2.gz BZYWJXLYHUOVOQ-HNNXBMFYSA-N -1 3 373.431 0.445 10 0 FCAEHM COC(=O)CCCCn1cc(I)c(=O)[n-]c1=O ZINC000600547863 491868110 /nfs/dbraw/zinc/86/81/10/491868110.db2.gz KKMVRBHGWMXTHA-UHFFFAOYSA-N -1 3 352.128 0.897 10 0 FCAEHM CCOC(=O)Cn1cccc([N-]S(=O)(=O)C[C@@H](OCC)C2CC2)c1=O ZINC000600650822 491871521 /nfs/dbraw/zinc/87/15/21/491871521.db2.gz CBJNTPDQDQNDMX-CQSZACIVSA-N -1 3 372.443 0.968 10 0 FCAEHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N1CC[C@@H](Cn2ccnn2)C1 ZINC000595078884 491882729 /nfs/dbraw/zinc/88/27/29/491882729.db2.gz BNODZOUPKCZBJA-SNVBAGLBSA-N -1 3 363.399 0.613 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NCc1cccc(NC(=O)c2cccnc2)c1 ZINC000600946869 491889553 /nfs/dbraw/zinc/88/95/53/491889553.db2.gz AYJZLIJLRURUGS-UHFFFAOYSA-N -1 3 367.365 0.502 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-][C@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000601342621 491906107 /nfs/dbraw/zinc/90/61/07/491906107.db2.gz ZHHMABJDZPARKI-QMMMGPOBSA-N -1 3 358.338 0.022 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-][C@@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000601372480 491909753 /nfs/dbraw/zinc/90/97/53/491909753.db2.gz ZIZYRFIQNKFUIT-CYBMUJFWSA-N -1 3 358.460 0.793 10 0 FCAEHM COC(=O)[C@]1([N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)CCSC1 ZINC000601379369 491910552 /nfs/dbraw/zinc/91/05/52/491910552.db2.gz JFDHFPSHUZSXEE-JTQLQIEISA-N -1 3 373.378 0.766 10 0 FCAEHM COC(=O)[C@@H](Cc1cccc(OC)c1)[N-]S(=O)(=O)CC1(N(C)C)CC1 ZINC000601475095 491925584 /nfs/dbraw/zinc/92/55/84/491925584.db2.gz ZTSLVCAJMQYWSF-OAHLLOKOSA-N -1 3 370.471 0.793 10 0 FCAEHM CCOC(=O)[C@]1(C[N-]S(=O)(=O)C[C@H](OC)C(C)C)CCCOC1 ZINC000601512931 491930116 /nfs/dbraw/zinc/93/01/16/491930116.db2.gz DZZCADBPMSKOQX-ZFWWWQNUSA-N -1 3 351.465 0.937 10 0 FCAEHM CC(C)(C)OC(=O)CN1CC[C@H](N2CCC[C@H](c3n[n-]c(=O)o3)C2)C1=O ZINC000595475265 491935369 /nfs/dbraw/zinc/93/53/69/491935369.db2.gz NXBMDAUJUYINAC-RYUDHWBXSA-N -1 3 366.418 0.897 10 0 FCAEHM COCCCn1nc(C(=O)NCCNC(=O)c2ccc([O-])cc2)ccc1=O ZINC000612621181 491940728 /nfs/dbraw/zinc/94/07/28/491940728.db2.gz SUJQLGVAGVKNSN-UHFFFAOYSA-N -1 3 374.397 0.145 10 0 FCAEHM CC(C)C[C@H](NC(=O)c1ccc2oc(=O)nc-2[n-]1)C(=O)NCCN(C)C ZINC000613051277 491964380 /nfs/dbraw/zinc/96/43/80/491964380.db2.gz PFGMHFGZJOIOIC-LBPRGKRZSA-N -1 3 363.418 0.751 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](N3CCC3)[C@H](F)C2)cn1 ZINC000614091886 492014654 /nfs/dbraw/zinc/01/46/54/492014654.db2.gz HGCREXYSQQRWFJ-OLZOCXBDSA-N -1 3 356.423 0.248 10 0 FCAEHM CN1c2ccc(C(=O)N3CCC[C@]4(C3)NC(=O)[N-]C4=O)cc2C(C)(C)C1=O ZINC000614198994 492019335 /nfs/dbraw/zinc/01/93/35/492019335.db2.gz ORSUXTHZSHKOPG-LJQANCHMSA-N -1 3 370.409 0.755 10 0 FCAEHM COC(=O)CCS(=O)(=O)Nc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000603624691 492039224 /nfs/dbraw/zinc/03/92/24/492039224.db2.gz YMHSYWRSEHRWIF-AWEZNQCLSA-N -1 3 355.372 0.046 10 0 FCAEHM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]Cc1cccnc1N(C)C ZINC000603640213 492039647 /nfs/dbraw/zinc/03/96/47/492039647.db2.gz QNCFEKMVRDRQHM-UHFFFAOYSA-N -1 3 353.404 0.526 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)c2nnn(C(C)(C)C)n2)ccc1F ZINC000614680918 492048002 /nfs/dbraw/zinc/04/80/02/492048002.db2.gz XQCMUJYDUQMOOV-UHFFFAOYSA-N -1 3 356.383 0.728 10 0 FCAEHM CO[C@H](C(=O)N[C@H](C)[C@H](C)C(=O)Nc1ncccc1[O-])[C@H]1CCOC1 ZINC000614821079 492057740 /nfs/dbraw/zinc/05/77/40/492057740.db2.gz FDXAMZITMKMENM-OPDFLTKYSA-N -1 3 351.403 0.918 10 0 FCAEHM CC(C)NS(=O)(=O)c1c[nH]c(C(=O)NCCCc2cc(=O)[nH][n-]2)c1 ZINC000614920948 492064487 /nfs/dbraw/zinc/06/44/87/492064487.db2.gz JHKQVYMNUFANCK-UHFFFAOYSA-N -1 3 355.420 0.087 10 0 FCAEHM C[C@@H]1CCCN(C(=O)CC[C@@H]2NC(=O)[N-]C2=O)[C@H]1C(=O)OC(C)(C)C ZINC000597798205 492067047 /nfs/dbraw/zinc/06/70/47/492067047.db2.gz QSQFMWHSLWZOIF-NTZNESFSSA-N -1 3 353.419 0.943 10 0 FCAEHM C[C@@H]1CCCN(C(=O)CC[C@H]2NC(=O)[N-]C2=O)[C@H]1C(=O)OC(C)(C)C ZINC000597798204 492067235 /nfs/dbraw/zinc/06/72/35/492067235.db2.gz QSQFMWHSLWZOIF-NQBHXWOUSA-N -1 3 353.419 0.943 10 0 FCAEHM COc1ccc([C@H]2[C@H](C(=O)[N-]c3nnc4[nH]cnn34)CC(=O)N2C)cc1 ZINC000614990912 492067679 /nfs/dbraw/zinc/06/76/79/492067679.db2.gz JFINAUIIIPRQDM-YPMHNXCESA-N -1 3 355.358 0.619 10 0 FCAEHM COC(=O)[C@@H]1OCC[C@@H]1NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000598011481 492078772 /nfs/dbraw/zinc/07/87/72/492078772.db2.gz JVSAKUJUAHJSDB-SMDDNHRTSA-N -1 3 352.293 0.867 10 0 FCAEHM COC(=O)[C@](C)(CCF)NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000598276691 492092438 /nfs/dbraw/zinc/09/24/38/492092438.db2.gz AUIPDIMZVHGRNU-KRWDZBQOSA-N -1 3 365.361 0.900 10 0 FCAEHM CCOC(=O)C12CC(C1)CN2C(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000598447989 492098912 /nfs/dbraw/zinc/09/89/12/492098912.db2.gz BLQGHVQPOQQBNQ-UHFFFAOYSA-N -1 3 358.441 0.581 10 0 FCAEHM C[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F)c1nccc(N)n1 ZINC000615721033 492100271 /nfs/dbraw/zinc/10/02/71/492100271.db2.gz YELJYEFXGRCGGK-ZJUUUORDSA-N -1 3 367.406 0.742 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-]CCC2CS(=O)(=O)C2)c(C)o1 ZINC000615747722 492101177 /nfs/dbraw/zinc/10/11/77/492101177.db2.gz XQQUPZFRIFRJPR-UHFFFAOYSA-N -1 3 351.402 0.088 10 0 FCAEHM CCOC(=O)[C@H]1CCN(Cc2cc(=O)n3nc(N)[n-]c3n2)c2ccccc21 ZINC000598606004 492107676 /nfs/dbraw/zinc/10/76/76/492107676.db2.gz FKINALOJGDZICO-ZDUSSCGKSA-N -1 3 368.397 0.887 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)c2cc(OC)c(OC)cc2OC)[n-]1 ZINC000615920173 492108028 /nfs/dbraw/zinc/10/80/28/492108028.db2.gz NTQLNCYHWCNUIK-UHFFFAOYSA-N -1 3 364.358 0.937 10 0 FCAEHM CC(=O)NCCNC(=O)CCC(=O)NCc1ccc([O-])c2ncccc12 ZINC000616025806 492114824 /nfs/dbraw/zinc/11/48/24/492114824.db2.gz VJNAFIUFYSFPQJ-UHFFFAOYSA-N -1 3 358.398 0.589 10 0 FCAEHM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616025099 492114877 /nfs/dbraw/zinc/11/48/77/492114877.db2.gz KANJLZXEDDONBH-OAHLLOKOSA-N -1 3 370.409 0.684 10 0 FCAEHM O=C(CC[C@@H]1NC(=O)[N-]C1=O)Nc1ccc(F)cc1N1CCOCC1 ZINC000616246686 492122807 /nfs/dbraw/zinc/12/28/07/492122807.db2.gz NHVCQFSLYNYYHM-LBPRGKRZSA-N -1 3 350.350 0.589 10 0 FCAEHM COC(=O)CC1(CS(=O)(=O)[N-][C@H]2c3ccccc3CN(C)C2=O)CC1 ZINC000598939556 492125848 /nfs/dbraw/zinc/12/58/48/492125848.db2.gz LDVBXNJTRHHGKY-HNNXBMFYSA-N -1 3 366.439 0.962 10 0 FCAEHM C[C@@]1(c2ccc(NC(=O)CNC(=O)c3ccccn3)cc2)NC(=O)[N-]C1=O ZINC000606832536 492130444 /nfs/dbraw/zinc/13/04/44/492130444.db2.gz BWZTYSIWNXDABG-SFHVURJKSA-N -1 3 367.365 0.505 10 0 FCAEHM CCc1cc(NC(=O)C(=O)NCCCNC(=O)c2cccc([O-])c2)no1 ZINC000606998067 492135358 /nfs/dbraw/zinc/13/53/58/492135358.db2.gz BDZSOWOOYOLUFI-UHFFFAOYSA-N -1 3 360.370 0.817 10 0 FCAEHM CN(Cc1ccc2c(c1)OC(F)(F)O2)C(=O)CC[C@@H]1NC(=O)[N-]C1=O ZINC000616710174 492139455 /nfs/dbraw/zinc/13/94/55/492139455.db2.gz YEBSVJISBQVVAS-VIFPVBQESA-N -1 3 355.297 0.955 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]Cc2cccnc2N(C)C)on1 ZINC000599214693 492143165 /nfs/dbraw/zinc/14/31/65/492143165.db2.gz BCVIYDARSYBBLT-UHFFFAOYSA-N -1 3 368.415 0.932 10 0 FCAEHM C[C@@](CO)(NC(=O)CN1CC(=O)[N-]C1=O)c1cccc(C(F)(F)F)c1 ZINC000616815564 492144693 /nfs/dbraw/zinc/14/46/93/492144693.db2.gz ZEABAVLUNOFSFS-AWEZNQCLSA-N -1 3 359.304 0.581 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@H](CO)Cc2ccccc2)on1 ZINC000599236815 492146995 /nfs/dbraw/zinc/14/69/95/492146995.db2.gz CYOFQQDYJGKAHD-ZDUSSCGKSA-N -1 3 368.411 0.874 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]Cc2cccc(CO)c2)on1 ZINC000599244695 492148059 /nfs/dbraw/zinc/14/80/59/492148059.db2.gz LGHXDHAAIKTLLO-UHFFFAOYSA-N -1 3 354.384 0.963 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]Cc2c(C)nn(C)c2C)on1 ZINC000599251392 492149302 /nfs/dbraw/zinc/14/93/02/492149302.db2.gz FXRBKBKONZMFRD-UHFFFAOYSA-N -1 3 356.404 0.821 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H](C)CO[C@@H]2CCOC2)on1 ZINC000599255382 492149796 /nfs/dbraw/zinc/14/97/96/492149796.db2.gz AEFNXILJGQQDBE-WDEREUQCSA-N -1 3 362.404 0.465 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H](C)[C@H](C)C(=O)OCC)on1 ZINC000599275464 492152861 /nfs/dbraw/zinc/15/28/61/492152861.db2.gz RDJRWWUTQRONOB-UWVGGRQHSA-N -1 3 362.404 0.858 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]C[C@H](C)N2CCCCC2=O)on1 ZINC000599295250 492156166 /nfs/dbraw/zinc/15/61/66/492156166.db2.gz ZWTZLHURDMCTDO-NSHDSACASA-N -1 3 373.431 0.672 10 0 FCAEHM CO[C@@H](CNC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)[C@H]1CCOC1 ZINC000617142661 492156370 /nfs/dbraw/zinc/15/63/70/492156370.db2.gz HWLNLMFIPVMJIU-FZMZJTMJSA-N -1 3 360.407 0.979 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NCc1cccc(NC(=O)c2ccncc2)c1 ZINC000599314592 492158987 /nfs/dbraw/zinc/15/89/87/492158987.db2.gz IQHOMLNCNOBSIH-UHFFFAOYSA-N -1 3 367.365 0.502 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]C[C@@H]2CCOC[C@H]2OC)on1 ZINC000599317328 492159635 /nfs/dbraw/zinc/15/96/35/492159635.db2.gz UUDFKNMZXJOWPX-GXFFZTMASA-N -1 3 362.404 0.322 10 0 FCAEHM CS(=O)(=O)[N-]c1cc(C(=O)N2CC[C@@H](Cn3ccnn3)C2)ccc1F ZINC000617262827 492162044 /nfs/dbraw/zinc/16/20/44/492162044.db2.gz JEEAKRPCWDEXMQ-LLVKDONJSA-N -1 3 367.406 0.951 10 0 FCAEHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)N2CCC[C@@H](C)C2)C(=O)N1c1cnn(C)c1 ZINC000608049565 492164282 /nfs/dbraw/zinc/16/42/82/492164282.db2.gz AAVYWIQSKIQSCO-YRGRVCCFSA-N -1 3 355.464 0.480 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCO[C@@](C)(C3CC3)C2)cn1C ZINC000617398107 492166269 /nfs/dbraw/zinc/16/62/69/492166269.db2.gz BIPHRQNMSNARFJ-OAHLLOKOSA-N -1 3 356.448 0.034 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](CO)[C@H]2CCC[C@@H](OC)C2)cn1 ZINC000617536697 492175213 /nfs/dbraw/zinc/17/52/13/492175213.db2.gz HCHKXSBJAWUEGS-IACUBPJLSA-N -1 3 371.459 0.286 10 0 FCAEHM COC(=O)[C@H](C[C@@H]1CCCOC1)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000599457590 492175364 /nfs/dbraw/zinc/17/53/64/492175364.db2.gz UHTDAMZDUZQMFF-RYUDHWBXSA-N -1 3 373.431 0.302 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)NCCc2cnccc2C)cn1C ZINC000617658035 492178916 /nfs/dbraw/zinc/17/89/16/492178916.db2.gz ZWOZLJGTLNLNBC-UHFFFAOYSA-N -1 3 351.432 0.069 10 0 FCAEHM CO[C@]1(CO)CCCN(C(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)C1 ZINC000617795201 492192154 /nfs/dbraw/zinc/19/21/54/492192154.db2.gz UPNHWJOTTNDHBS-BXUZGUMPSA-N -1 3 362.473 0.415 10 0 FCAEHM CO[C@]1(CO)CCCN(C(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)C1 ZINC000617800739 492192787 /nfs/dbraw/zinc/19/27/87/492192787.db2.gz ZBFNHHDOSOVSFU-QZTJIDSGSA-N -1 3 361.398 0.355 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC[C@@H](O)C(F)(F)C1 ZINC000617816164 492193430 /nfs/dbraw/zinc/19/34/30/492193430.db2.gz NWHGYZVWXAPEKZ-RKDXNWHRSA-N -1 3 354.400 0.643 10 0 FCAEHM COC(=O)CN(Cc1ccc(F)c(F)c1)C(=O)CC[C@H]1NC(=O)[N-]C1=O ZINC000609380698 492207420 /nfs/dbraw/zinc/20/74/20/492207420.db2.gz VLSLOBBGMBMPNQ-GFCCVEGCSA-N -1 3 369.324 0.455 10 0 FCAEHM Cc1nnc(CN(C)C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)o1 ZINC000618066873 492209694 /nfs/dbraw/zinc/20/96/94/492209694.db2.gz OANYVBSHBSTICF-VIFPVBQESA-N -1 3 356.379 0.843 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCO[C@H]1CC1(F)F ZINC000618126682 492211443 /nfs/dbraw/zinc/21/14/43/492211443.db2.gz UKLNLOBUUILCAB-BDAKNGLRSA-N -1 3 354.400 0.955 10 0 FCAEHM C[C@H]1CN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C[C@H](C)C1O ZINC000618260373 492219495 /nfs/dbraw/zinc/21/94/95/492219495.db2.gz UHTHZTDYTFBQQV-YUMQZZPRSA-N -1 3 360.208 0.187 10 0 FCAEHM COC(=O)[C@@](C)([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)C1CC1 ZINC000609899443 492226568 /nfs/dbraw/zinc/22/65/68/492226568.db2.gz CMSRUYUFBNKXCR-AWEZNQCLSA-N -1 3 361.441 0.710 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)NC[C@@H]2CCC[C@H]3C[C@H]32)cn1C ZINC000618507477 492230514 /nfs/dbraw/zinc/23/05/14/492230514.db2.gz KJFYMKDTOMRQGH-MELADBBJSA-N -1 3 354.476 0.949 10 0 FCAEHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@H](C)Cn2cncn2)s1 ZINC000618539815 492231012 /nfs/dbraw/zinc/23/10/12/492231012.db2.gz POWHADGGBITTFM-ZJUUUORDSA-N -1 3 357.461 0.904 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1C[C@H]2COC[C@@]2(C)C1 ZINC000618712543 492236369 /nfs/dbraw/zinc/23/63/69/492236369.db2.gz PPZACJZOPZQNAO-MQIPJXDCSA-N -1 3 356.419 0.987 10 0 FCAEHM O=C(c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1)N1CC[C@@]2(O)C[C@H]2C1 ZINC000618753393 492237347 /nfs/dbraw/zinc/23/73/47/492237347.db2.gz NENRJBUZZCSGBY-KBXCAEBGSA-N -1 3 373.434 0.901 10 0 FCAEHM Cc1ccc(CC2CN(C(=O)C[N-]S(=O)(=O)c3cn(C)cn3)C2)cc1 ZINC000618889187 492242013 /nfs/dbraw/zinc/24/20/13/492242013.db2.gz LLMNRKFMMOYSSW-UHFFFAOYSA-N -1 3 362.455 0.708 10 0 FCAEHM Cc1cncc(CCNC(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)n1 ZINC000619205882 492253003 /nfs/dbraw/zinc/25/30/03/492253003.db2.gz KHCXSVMBKFJHBL-GOSISDBHSA-N -1 3 353.382 0.812 10 0 FCAEHM CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3ccc(C(C)=O)c([O-])c3)C[C@H]21 ZINC000619219706 492253352 /nfs/dbraw/zinc/25/33/52/492253352.db2.gz MACMFPDGRLUICG-CFVMTHIKSA-N -1 3 353.396 0.479 10 0 FCAEHM COC(=O)[C@H](Cc1cccc(OC)c1)NC(=O)c1cn(C)c(=O)[n-]c1=O ZINC000600270167 492255249 /nfs/dbraw/zinc/25/52/49/492255249.db2.gz FCLXYRRONAXCIN-ZDUSSCGKSA-N -1 3 361.354 0.009 10 0 FCAEHM COC(=O)c1cnc(C2CCN(C(=O)CN3CC(=O)[N-]C3=O)CC2)s1 ZINC000600270045 492255339 /nfs/dbraw/zinc/25/53/39/492255339.db2.gz DBPFAIIMCRBGQZ-UHFFFAOYSA-N -1 3 366.399 0.188 10 0 FCAEHM COC(=O)COCCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000600399842 492266715 /nfs/dbraw/zinc/26/67/15/492266715.db2.gz SLDXLLWVJOFCRF-CYBMUJFWSA-N -1 3 350.371 0.303 10 0 FCAEHM COC(=O)[C@@H](C[C@@H]1CCCOC1)NC(=O)CNC(=O)c1cccc([O-])c1 ZINC000600453182 492270767 /nfs/dbraw/zinc/27/07/67/492270767.db2.gz FDMIFIAZFAAKCQ-SWLSCSKDSA-N -1 3 364.398 0.597 10 0 FCAEHM COC(=O)C[C@@H](O)CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000600462279 492271797 /nfs/dbraw/zinc/27/17/97/492271797.db2.gz XYUHEPIXGALYLJ-YPMHNXCESA-N -1 3 350.371 0.037 10 0 FCAEHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000611511297 492289218 /nfs/dbraw/zinc/28/92/18/492289218.db2.gz SEEDEECYBDTHES-AXFHLTTASA-N -1 3 370.427 0.916 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1C[C@@H](C)[C@](C)(CO)C1 ZINC000620442731 492309700 /nfs/dbraw/zinc/30/97/00/492309700.db2.gz NGMKHDFYXZVNNQ-WQGACYEGSA-N -1 3 358.435 0.969 10 0 FCAEHM CN(C(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)[C@H]1CCCCN(C)C1=O ZINC000634144148 492321928 /nfs/dbraw/zinc/32/19/28/492321928.db2.gz NFNIEDBWJHCSJP-LIRRHRJNSA-N -1 3 372.425 0.824 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H](CO)[C@H](C(F)(F)F)C2)cn1 ZINC000634233686 492328939 /nfs/dbraw/zinc/32/89/39/492328939.db2.gz LZGPFOPDPBBRJA-VHSXEESVSA-N -1 3 367.349 0.233 10 0 FCAEHM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)C1 ZINC000647591827 492329295 /nfs/dbraw/zinc/32/92/95/492329295.db2.gz LCVNQNABCSPFHH-ILXRZTDVSA-N -1 3 351.447 0.833 10 0 FCAEHM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000647607059 492334164 /nfs/dbraw/zinc/33/41/64/492334164.db2.gz ZUGODISCNSVAQC-VIFPVBQESA-N -1 3 359.404 0.027 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2cccc3c2CCOC3)cn1 ZINC000634318213 492336774 /nfs/dbraw/zinc/33/67/74/492336774.db2.gz BUTNLIQFCSEABO-UHFFFAOYSA-N -1 3 361.423 0.992 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(C(=O)NC[C@H]2CCCCN2CCO)cn1 ZINC000627574878 492342596 /nfs/dbraw/zinc/34/25/96/492342596.db2.gz UYFMIODPOGLMAV-CYBMUJFWSA-N -1 3 356.448 0.030 10 0 FCAEHM CCN(CC(=O)N(C)C)C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000642353273 492354600 /nfs/dbraw/zinc/35/46/00/492354600.db2.gz CZMBSZVUWLWUCZ-NSHDSACASA-N -1 3 359.423 0.429 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-][C@H]2CS(=O)(=O)Cc3ccccc32)c1 ZINC000621306208 492373004 /nfs/dbraw/zinc/37/30/04/492373004.db2.gz TYPWFOBHQQGVPN-ZDUSSCGKSA-N -1 3 355.441 0.851 10 0 FCAEHM CN(Cc1ccc2c(c1)OC(F)(F)O2)Cc1cc(=O)n2nc(N)[n-]c2n1 ZINC000621312747 492374693 /nfs/dbraw/zinc/37/46/93/492374693.db2.gz FOQNHELJPAQDPC-UHFFFAOYSA-N -1 3 364.312 0.784 10 0 FCAEHM C/C=C\CNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000627932838 492423004 /nfs/dbraw/zinc/42/30/04/492423004.db2.gz FSUKGWKTGVIJSZ-IHWYPQMZSA-N -1 3 355.391 0.897 10 0 FCAEHM CC(C)NS(=O)(=O)NCCNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621973121 492436449 /nfs/dbraw/zinc/43/64/49/492436449.db2.gz CIBPETDYILWJFZ-UHFFFAOYSA-N -1 3 369.365 0.973 10 0 FCAEHM C[C@]1(C[C@@H]2CCCN2C(=O)c2ccc(N3CCC3)nc2)NC(=O)[N-]C1=O ZINC000622049904 492447284 /nfs/dbraw/zinc/44/72/84/492447284.db2.gz WHQXHDHNUXWJDZ-SCLBCKFNSA-N -1 3 357.414 0.885 10 0 FCAEHM CCC1(N2CCOCC2)CCN(C(=O)C(=O)[N-]c2cnns2)CC1 ZINC000628022136 492449780 /nfs/dbraw/zinc/44/97/80/492449780.db2.gz JCGTYWWNLPRMFQ-UHFFFAOYSA-N -1 3 353.448 0.580 10 0 FCAEHM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622146321 492459548 /nfs/dbraw/zinc/45/95/48/492459548.db2.gz OPJPUVRNFWEAFY-GHMZBOCLSA-N -1 3 353.318 0.953 10 0 FCAEHM CN1CC[C@H](C(=O)NCc2ccc([O-])c(Br)c2)S1(=O)=O ZINC000648833661 492463451 /nfs/dbraw/zinc/46/34/51/492463451.db2.gz UXEPSNGIVXLFJR-LLVKDONJSA-N -1 3 363.233 0.805 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC2(CC2(F)F)C1 ZINC000655615711 492464152 /nfs/dbraw/zinc/46/41/52/492464152.db2.gz JQCTYMRCRHBPLX-UHFFFAOYSA-N -1 3 352.384 0.624 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-][C@H]2CCc3ccccc3NC2=O)C[C@@H](C)O1 ZINC000655629130 492467701 /nfs/dbraw/zinc/46/77/01/492467701.db2.gz ZSTHPJHFTUTECD-JMSVASOKSA-N -1 3 353.444 0.884 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)N1CC(F)(F)C[C@@H]1CO ZINC000648871193 492468574 /nfs/dbraw/zinc/46/85/74/492468574.db2.gz ABVHNMVZDBMJGK-SECBINFHSA-N -1 3 352.334 0.333 10 0 FCAEHM O=C(Cc1ccc(Br)cc1[O-])N(CCO)CCOCCO ZINC000628175675 492477213 /nfs/dbraw/zinc/47/72/13/492477213.db2.gz GCZSHAOCKOFHKF-UHFFFAOYSA-N -1 3 362.220 0.527 10 0 FCAEHM CS(=O)(=O)[N-]c1cc(C(=O)Nc2ccc(=O)n(CCO)c2)ccc1F ZINC000622737702 492486240 /nfs/dbraw/zinc/48/62/40/492486240.db2.gz KZMNCHYFJJWCRZ-UHFFFAOYSA-N -1 3 369.374 0.604 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc(=O)n(CCO)c1 ZINC000649118328 492502427 /nfs/dbraw/zinc/50/24/27/492502427.db2.gz SPQQQGHAECGLJW-JTQLQIEISA-N -1 3 371.440 0.208 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCOC3(CCN(C)CC3)C2)co1 ZINC000649131181 492503505 /nfs/dbraw/zinc/50/35/05/492503505.db2.gz AWSQZHPNSWVIOG-UHFFFAOYSA-N -1 3 357.432 0.125 10 0 FCAEHM C[C@@H](NC(=O)C(=O)NCC1(N(C)C)CCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655989175 492505778 /nfs/dbraw/zinc/50/57/78/492505778.db2.gz YHRWMUKXMBNYMQ-FRRDWIJNSA-N -1 3 353.463 0.839 10 0 FCAEHM C[C@@H]1C(=O)N(C)CN1C(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2C ZINC000649160182 492506670 /nfs/dbraw/zinc/50/66/70/492506670.db2.gz DPORAZDPIOONQZ-MRVPVSSYSA-N -1 3 357.370 0.172 10 0 FCAEHM Cc1ccc2c(n1)[n-]cc(C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C)c2=O ZINC000649234707 492514075 /nfs/dbraw/zinc/51/40/75/492514075.db2.gz MELIGOAAPMKAFN-GFCCVEGCSA-N -1 3 357.414 0.836 10 0 FCAEHM Cc1ccc2c([O-])c(C(=O)N3CN(CCN(C)C)C(=O)[C@H]3C)cnc2n1 ZINC000649234707 492514079 /nfs/dbraw/zinc/51/40/79/492514079.db2.gz MELIGOAAPMKAFN-GFCCVEGCSA-N -1 3 357.414 0.836 10 0 FCAEHM C[C@H](NC(=O)C(=O)N1CCC[C@@H](N(C)C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656015046 492517308 /nfs/dbraw/zinc/51/73/08/492517308.db2.gz QGQHEGFSJNVYBI-RFQIPJPRSA-N -1 3 353.463 0.791 10 0 FCAEHM COc1cc2[n-]cc(C(=O)NC[C@@H](O)[C@H]3CCCO3)c(=O)c2c(OC)c1 ZINC000628600971 492529141 /nfs/dbraw/zinc/52/91/41/492529141.db2.gz HUBRVNAYWPSNRI-ZIAGYGMSSA-N -1 3 362.382 0.815 10 0 FCAEHM COc1cc2ncc(C(=O)NC[C@@H](O)[C@H]3CCCO3)c([O-])c2c(OC)c1 ZINC000628600971 492529145 /nfs/dbraw/zinc/52/91/45/492529145.db2.gz HUBRVNAYWPSNRI-ZIAGYGMSSA-N -1 3 362.382 0.815 10 0 FCAEHM O=C(N[C@@H]1CCN(c2ccc3nncn3n2)C1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000628725151 492538266 /nfs/dbraw/zinc/53/82/66/492538266.db2.gz SZNUBLPMUKTSRL-LLVKDONJSA-N -1 3 366.385 0.506 10 0 FCAEHM COc1ccc([O-])c(C(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)c1 ZINC000628730600 492540538 /nfs/dbraw/zinc/54/05/38/492540538.db2.gz CNGCUBBFMLMHBF-NSHDSACASA-N -1 3 354.370 0.847 10 0 FCAEHM CC(=O)Nc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCCN2CCO)c(F)c1 ZINC000650067826 492611056 /nfs/dbraw/zinc/61/10/56/492611056.db2.gz VFJOPPMDWFAWJG-AWEZNQCLSA-N -1 3 373.450 0.909 10 0 FCAEHM NC(=O)C[C@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CCO1 ZINC000629395483 492619986 /nfs/dbraw/zinc/61/99/86/492619986.db2.gz QQYGCNCSRWUDPQ-GXTWGEPZSA-N -1 3 361.398 0.100 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]c1cccnc1N1CCOCC1)[C@H]1CCOC1 ZINC000656728752 492646524 /nfs/dbraw/zinc/64/65/24/492646524.db2.gz XCOHXMPYTSXRHA-ZFWWWQNUSA-N -1 3 371.459 0.711 10 0 FCAEHM C[C@H](CC(F)(F)F)CS(=O)(=O)N1CCC2(CC1)NC(=O)[N-]C2=O ZINC000656869787 492655304 /nfs/dbraw/zinc/65/53/04/492655304.db2.gz GBUVLZJDWJDFRG-MRVPVSSYSA-N -1 3 357.354 0.579 10 0 FCAEHM CC(=O)N1CCc2sc(S(=O)(=O)[N-]Cc3ccnn3C)cc2C1 ZINC000656872228 492656285 /nfs/dbraw/zinc/65/62/85/492656285.db2.gz JEQOKKUSCNDZOE-UHFFFAOYSA-N -1 3 354.457 0.865 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@@H](Cc1ccccc1)C(N)=O)[C@H]1CCOC1 ZINC000656884771 492659987 /nfs/dbraw/zinc/65/99/87/492659987.db2.gz DYTFTWUBTBULRH-SOUVJXGZSA-N -1 3 356.444 0.054 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@H]1CCN(CC(F)(F)F)C1=O)[C@H]1CCOC1 ZINC000656901207 492664162 /nfs/dbraw/zinc/66/41/62/492664162.db2.gz MUOLQEBXCAVKRR-GARJFASQSA-N -1 3 374.381 0.121 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@@H](c1nc[nH]n1)c1ccccc1)[C@H]1CCOC1 ZINC000656966100 492681553 /nfs/dbraw/zinc/68/15/53/492681553.db2.gz ALUIYBUTKPRELY-RRFJBIMHSA-N -1 3 366.443 0.865 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNS(=O)(=O)[C@H]2COC(C)(C)C2)s1 ZINC000624829387 492688720 /nfs/dbraw/zinc/68/87/20/492688720.db2.gz MNUAOXYJXXVLJK-SNVBAGLBSA-N -1 3 368.502 0.643 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]Cc1ncn(-c2ccccc2)n1)[C@@H]1CCOC1 ZINC000656999465 492690653 /nfs/dbraw/zinc/69/06/53/492690653.db2.gz ZRNPBTXTDYROCE-HIFRSBDPSA-N -1 3 366.443 0.738 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]C1(C(=O)N(C)C)CCCCC1)[C@H]1CCOC1 ZINC000657003529 492691507 /nfs/dbraw/zinc/69/15/07/492691507.db2.gz RURCRAXIXNIXIQ-UONOGXRCSA-N -1 3 362.492 0.748 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCN(S(C)(=O)=O)C2)c(F)c1F ZINC000624903722 492696415 /nfs/dbraw/zinc/69/64/15/492696415.db2.gz WMNVVZYLFXXUQM-SNVBAGLBSA-N -1 3 368.427 0.976 10 0 FCAEHM COC[C@@]1(C)CN(C(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)CCO1 ZINC000629906395 492699306 /nfs/dbraw/zinc/69/93/06/492699306.db2.gz UESJDNDTPXVKEZ-BXUZGUMPSA-N -1 3 362.473 0.679 10 0 FCAEHM NC(=O)COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](CO)C1CCC1 ZINC000657056539 492705539 /nfs/dbraw/zinc/70/55/39/492705539.db2.gz MNNFVWPIRLKALN-NSHDSACASA-N -1 3 362.835 0.643 10 0 FCAEHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)c2ncnn21 ZINC000657065263 492707361 /nfs/dbraw/zinc/70/73/61/492707361.db2.gz CBVWQZORJUQKFD-BXKDBHETSA-N -1 3 368.440 0.592 10 0 FCAEHM Cc1cc(C(=O)Nc2nnc(SCCO)[n-]2)nn1C1CCOCC1 ZINC000629971697 492709957 /nfs/dbraw/zinc/70/99/57/492709957.db2.gz HWSRRFOBQHVGCR-UHFFFAOYSA-N -1 3 352.420 0.998 10 0 FCAEHM Cc1cc(C(=O)Nc2nc(SCCO)n[n-]2)nn1C1CCOCC1 ZINC000629971697 492709961 /nfs/dbraw/zinc/70/99/61/492709961.db2.gz HWSRRFOBQHVGCR-UHFFFAOYSA-N -1 3 352.420 0.998 10 0 FCAEHM Cc1cc(C(=O)Nc2n[n-]c(SCCO)n2)nn1C1CCOCC1 ZINC000629971697 492709964 /nfs/dbraw/zinc/70/99/64/492709964.db2.gz HWSRRFOBQHVGCR-UHFFFAOYSA-N -1 3 352.420 0.998 10 0 FCAEHM C[C@H](C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1cncnc1 ZINC000629989306 492711230 /nfs/dbraw/zinc/71/12/30/492711230.db2.gz RUJWYZVBOMGKSG-JTQLQIEISA-N -1 3 370.381 0.953 10 0 FCAEHM O=S(=O)([N-]C[C@@]1(OCCO)CCOC1)c1cccnc1C(F)(F)F ZINC000657084515 492711382 /nfs/dbraw/zinc/71/13/82/492711382.db2.gz BDSVGYWBKTWZAO-LBPRGKRZSA-N -1 3 370.349 0.547 10 0 FCAEHM O=S(=O)([N-]C[C@@]1(OCCO)CCOC1)c1ccc(Cl)cc1F ZINC000657085617 492712009 /nfs/dbraw/zinc/71/20/09/492712009.db2.gz OWMRMCGQLUEQSJ-ZDUSSCGKSA-N -1 3 353.799 0.925 10 0 FCAEHM C[C@@H]1C[C@@H]1N1C[C@@H]([N-]S(=O)(=O)c2cnnn2-c2ccccc2)CC1=O ZINC000625029208 492712899 /nfs/dbraw/zinc/71/28/99/492712899.db2.gz ZYGBVHIUELUKQF-DYEKYZERSA-N -1 3 361.427 0.555 10 0 FCAEHM CC(C)(C)c1cc(CS(=O)(=O)[N-]C[C@]2(OCCO)CCOC2)no1 ZINC000657086770 492713119 /nfs/dbraw/zinc/71/31/19/492713119.db2.gz NKXJIRYDUQVTEQ-OAHLLOKOSA-N -1 3 362.448 0.560 10 0 FCAEHM O=S(=O)(Cc1ccc(F)cc1F)[N-]C[C@@]1(OCCO)CCOC1 ZINC000657087399 492713636 /nfs/dbraw/zinc/71/36/36/492713636.db2.gz SOTWSBHEGRCSLG-AWEZNQCLSA-N -1 3 351.371 0.552 10 0 FCAEHM O=S(=O)(Cc1c(F)cccc1F)[N-]C[C@]1(OCCO)CCOC1 ZINC000657087420 492713813 /nfs/dbraw/zinc/71/38/13/492713813.db2.gz TWAZMUJTBQPZKW-CQSZACIVSA-N -1 3 351.371 0.552 10 0 FCAEHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]C[C@@]3(OCCO)CCOC3)cn21 ZINC000657087670 492713949 /nfs/dbraw/zinc/71/39/49/492713949.db2.gz WZAYSJXKRUTSNT-DOMZBBRYSA-N -1 3 359.448 0.227 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]C[C@@]1(OCCO)CCOC1)C1CCCCC1 ZINC000657090903 492714867 /nfs/dbraw/zinc/71/48/67/492714867.db2.gz QGQXQWGVWCWOIX-CVEARBPZSA-N -1 3 365.492 0.669 10 0 FCAEHM Cc1cccc2c(=O)c(C(=O)N3CCN(c4nccnn4)CC3)c[n-]c12 ZINC000630020582 492718612 /nfs/dbraw/zinc/71/86/12/492718612.db2.gz FQHWXJDGMTWCBF-UHFFFAOYSA-N -1 3 350.382 0.984 10 0 FCAEHM CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]C[C@@H](C)S(C)(=O)=O ZINC000625087390 492721843 /nfs/dbraw/zinc/72/18/43/492721843.db2.gz VKLCWNOWPMLEGA-RISCZKNCSA-N -1 3 367.464 0.736 10 0 FCAEHM COCc1nc(C[N-]S(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)n[nH]1 ZINC000657103447 492721946 /nfs/dbraw/zinc/72/19/46/492721946.db2.gz DXYTWHQLYLEYQG-UHFFFAOYSA-N -1 3 371.810 0.434 10 0 FCAEHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC1CN(C)C1 ZINC000657122778 492725777 /nfs/dbraw/zinc/72/57/77/492725777.db2.gz JKVWQUIYTPBRHF-UHFFFAOYSA-N -1 3 361.489 0.167 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000657135541 492729975 /nfs/dbraw/zinc/72/99/75/492729975.db2.gz XBMSPTLFTIATFY-YABSGUDNSA-N -1 3 362.473 0.232 10 0 FCAEHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@H]2COC[C@@]2(C)C1 ZINC000657164042 492735154 /nfs/dbraw/zinc/73/51/54/492735154.db2.gz DHJIIPLKJZFNEH-SWLSCSKDSA-N -1 3 374.484 0.642 10 0 FCAEHM CC[C@](C)(NS(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C)C1CC1 ZINC000657178101 492738420 /nfs/dbraw/zinc/73/84/20/492738420.db2.gz LILDPZFPVWWINI-HNNXBMFYSA-N -1 3 352.416 0.891 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-][C@@H](C)C2(S(C)(=O)=O)CC2)CCOCC1 ZINC000625213744 492739803 /nfs/dbraw/zinc/73/98/03/492739803.db2.gz PBNLYUZGLBQCQL-LBPRGKRZSA-N -1 3 369.505 0.457 10 0 FCAEHM CCC(F)(F)C(C)(C)CS(=O)(=O)[N-]CCS(=O)(=O)N(C)C ZINC000625220494 492740695 /nfs/dbraw/zinc/74/06/95/492740695.db2.gz GCJZNZPPTVQWAP-UHFFFAOYSA-N -1 3 350.453 0.869 10 0 FCAEHM Cn1nccc1[C@@H](CO)[N-]S(=O)(=O)c1cccnc1OCC(F)F ZINC000625244523 492744211 /nfs/dbraw/zinc/74/42/11/492744211.db2.gz JGOCPKDMCCPACN-SECBINFHSA-N -1 3 362.358 0.471 10 0 FCAEHM CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-][C@H]1CCC(=O)N(C)C1=O ZINC000625257669 492747187 /nfs/dbraw/zinc/74/71/87/492747187.db2.gz IBBXKBWSWYFPFZ-KBPBESRZSA-N -1 3 372.418 0.450 10 0 FCAEHM COc1cc(C[N-]S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CC3)on1 ZINC000625283164 492751623 /nfs/dbraw/zinc/75/16/23/492751623.db2.gz HXAATCKIFYOIEC-UHFFFAOYSA-N -1 3 363.395 0.997 10 0 FCAEHM CC(C)n1cnc(=NC(=O)C(=O)NCC2(N(C)C)CCCCCC2)[n-]1 ZINC000651496924 492767731 /nfs/dbraw/zinc/76/77/31/492767731.db2.gz OBFYDQAGLWODNO-UHFFFAOYSA-N -1 3 350.467 0.990 10 0 FCAEHM CC(C)n1cnc(=NC(=O)C(=O)NCCCN(C)Cc2ccccc2)[n-]1 ZINC000651498418 492768655 /nfs/dbraw/zinc/76/86/55/492768655.db2.gz BGQHQXXLAJSHSY-UHFFFAOYSA-N -1 3 358.446 0.858 10 0 FCAEHM O=S(=O)([N-][C@@H]1CCN(c2ccc3nncn3n2)C1)c1cncc(F)c1 ZINC000625422194 492779815 /nfs/dbraw/zinc/77/98/15/492779815.db2.gz VCUXITPIQFPSIP-LLVKDONJSA-N -1 3 363.378 0.216 10 0 FCAEHM COC1(CS(=O)(=O)[N-][C@H](C(=O)N2CCCC2)C(C)C)CCOCC1 ZINC000651561065 492782714 /nfs/dbraw/zinc/78/27/14/492782714.db2.gz YQHFAMTVSNMWOK-AWEZNQCLSA-N -1 3 362.492 0.748 10 0 FCAEHM CC(C)n1cnc(=NC(=O)C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)[n-]1 ZINC000651643997 492799409 /nfs/dbraw/zinc/79/94/09/492799409.db2.gz ZPDQKEDXHQIDLH-GFCCVEGCSA-N -1 3 372.433 0.621 10 0 FCAEHM CC(C)n1cnc(=NC(=O)C(=O)NCC2CCN(c3ccncc3)CC2)[n-]1 ZINC000651648690 492800018 /nfs/dbraw/zinc/80/00/18/492800018.db2.gz FSXMZKQJOKARNC-UHFFFAOYSA-N -1 3 371.445 0.647 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NCc2cn(C[C@@H]3CCOC3)nn2)ccc1F ZINC000631155602 492801203 /nfs/dbraw/zinc/80/12/03/492801203.db2.gz GPMOFRZQZMQPDX-NSHDSACASA-N -1 3 369.422 0.974 10 0 FCAEHM CC(C)Cn1cnc(S(=O)(=O)[N-]Cc2ncc3c(n2)CCOC3)c1 ZINC000651803075 492825992 /nfs/dbraw/zinc/82/59/92/492825992.db2.gz ZWCUEUPVFSYEOY-UHFFFAOYSA-N -1 3 351.432 0.880 10 0 FCAEHM Cc1nn2cc(Br)cnc2c1S(=O)(=O)[N-]CCN(C)C ZINC000631640178 492828442 /nfs/dbraw/zinc/82/84/42/492828442.db2.gz VAKDYIAEEOJWMS-UHFFFAOYSA-N -1 3 362.253 0.640 10 0 FCAEHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]CC[C@@]2(O)CCOC2)s1 ZINC000651839047 492831287 /nfs/dbraw/zinc/83/12/87/492831287.db2.gz SLMHGBLHVRCBCK-QMTHXVAHSA-N -1 3 362.473 0.765 10 0 FCAEHM C[C@H]1OCC[C@H]1S(=O)(=O)[N-]CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000625617966 492840730 /nfs/dbraw/zinc/84/07/30/492840730.db2.gz QOKILXXQWGLKOF-QMTHXVAHSA-N -1 3 356.400 0.493 10 0 FCAEHM O=S(=O)([N-]Cc1ccc(-c2nncnn2)cc1)c1cnn2c1OCCC2 ZINC000651900518 492844812 /nfs/dbraw/zinc/84/48/12/492844812.db2.gz VQNHTSLVKRRUML-UHFFFAOYSA-N -1 3 373.398 0.391 10 0 FCAEHM O=C1NCCCC[C@H]1[N-]S(=O)(=O)Cc1ncsc1Br ZINC000631733526 492844783 /nfs/dbraw/zinc/84/47/83/492844783.db2.gz HXICZMAAEYGCMV-SSDOTTSWSA-N -1 3 368.278 0.994 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]CCCC(=O)NC1CC1 ZINC000631756741 492847104 /nfs/dbraw/zinc/84/71/04/492847104.db2.gz PNBMKPKMTLBDNM-UHFFFAOYSA-N -1 3 354.354 0.776 10 0 FCAEHM CCN1CCN(c2ccc(CNS(=O)(=O)c3ncc[n-]3)cn2)CC1 ZINC000631759617 492848637 /nfs/dbraw/zinc/84/86/37/492848637.db2.gz CWYRDWVSEHMAJB-UHFFFAOYSA-N -1 3 350.448 0.425 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)CCn2cc(Br)cn2)nc1=N ZINC000651979307 492857073 /nfs/dbraw/zinc/85/70/73/492857073.db2.gz ISEPYMKANLLYSG-SNVBAGLBSA-N -1 3 368.239 0.940 10 0 FCAEHM CC(C)O[C@@]1(CS(=O)(=O)[N-][C@@H]2CCN(C3CCC3)C2=O)CCOC1 ZINC000625689602 492861498 /nfs/dbraw/zinc/86/14/98/492861498.db2.gz CDPLWNTWBUXVOY-ZBFHGGJFSA-N -1 3 360.476 0.643 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@H]2CCN(C3CCC3)C2=O)s1 ZINC000625689758 492861779 /nfs/dbraw/zinc/86/17/79/492861779.db2.gz ABEPLIANFPEDMD-ZDUSSCGKSA-N -1 3 371.484 0.816 10 0 FCAEHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H]2CCN(C3CCC3)C2=O)s1 ZINC000625694192 492863170 /nfs/dbraw/zinc/86/31/70/492863170.db2.gz YDUQYUREAIIYHG-SNVBAGLBSA-N -1 3 358.445 0.533 10 0 FCAEHM CC(C)N1C[C@@H]([N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)CC1=O ZINC000631879499 492868055 /nfs/dbraw/zinc/86/80/55/492868055.db2.gz ZENKHUOKHZTKNN-QMMMGPOBSA-N -1 3 354.354 0.727 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]CC23CC(C2)C[NH2+]3)c(F)c1 ZINC000658404332 492871664 /nfs/dbraw/zinc/87/16/64/492871664.db2.gz QMJDZPAJFQUKNH-UHFFFAOYSA-N -1 3 363.436 0.228 10 0 FCAEHM Cn1ccnc1[C@H]([N-]S(=O)(=O)C[C@H]1CNCCO1)c1ccccc1F ZINC000631910771 492876557 /nfs/dbraw/zinc/87/65/57/492876557.db2.gz NHJXLGLIQDHXPA-IUODEOHRSA-N -1 3 368.434 0.556 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-][C@H]1CCCS(=O)(=O)C1 ZINC000631949836 492895993 /nfs/dbraw/zinc/89/59/93/492895993.db2.gz QOTXMUGZUNXVLY-ZETCQYMHSA-N -1 3 361.367 0.294 10 0 FCAEHM O=S(=O)(C[C@H]1CNCCO1)[N-][C@H](Cc1ccccc1)c1ncco1 ZINC000631949770 492896120 /nfs/dbraw/zinc/89/61/20/492896120.db2.gz OYNJFMKJXGLTOE-HUUCEWRRSA-N -1 3 351.428 0.866 10 0 FCAEHM C[C@H](C[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C)CN1CCOCC1 ZINC000631997701 492907384 /nfs/dbraw/zinc/90/73/84/492907384.db2.gz GRUDJZWCDMMJGP-SNVBAGLBSA-N -1 3 370.397 0.686 10 0 FCAEHM COc1ccccc1[C@@H](CO)[N-]S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000632014845 492911336 /nfs/dbraw/zinc/91/13/36/492911336.db2.gz UAGKZGZCBRGBLI-GXTWGEPZSA-N -1 3 354.428 0.411 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]CC(=O)NC1CCCCC1)C1CCOCC1 ZINC000645502615 492915114 /nfs/dbraw/zinc/91/51/14/492915114.db2.gz XWUDWHJUNBSPTC-HNNXBMFYSA-N -1 3 362.492 0.796 10 0 FCAEHM Cc1cc(N2CC[C@H]([N-]S(=O)(=O)C[C@@H]3CCC3(F)F)C2=O)n(C)n1 ZINC000632041596 492918123 /nfs/dbraw/zinc/91/81/23/492918123.db2.gz QMVYJXMINLCDNY-QWRGUYRKSA-N -1 3 362.402 0.799 10 0 FCAEHM COCCN1CCC[C@H]1C[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000645516525 492918529 /nfs/dbraw/zinc/91/85/29/492918529.db2.gz UKNJNFBOLFHCLI-ZDUSSCGKSA-N -1 3 373.475 0.679 10 0 FCAEHM O=S(=O)(CCOCC1CCC1)[N-]Cc1nnnn1-c1ccccc1 ZINC000645521771 492919210 /nfs/dbraw/zinc/91/92/10/492919210.db2.gz KAZXSKXCCCJHQX-UHFFFAOYSA-N -1 3 351.432 0.898 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]C[C@@H](O)COCC2CC2)coc1C(=O)N(C)C ZINC000645555976 492925096 /nfs/dbraw/zinc/92/50/96/492925096.db2.gz BLZOFUKSOACFEK-GFCCVEGCSA-N -1 3 360.432 0.356 10 0 FCAEHM CCNC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)C1 ZINC000632101980 492928744 /nfs/dbraw/zinc/92/87/44/492928744.db2.gz BINUCVICJQDVMR-MRVPVSSYSA-N -1 3 369.369 0.521 10 0 FCAEHM O=C(c1cn2c(n1)COCC2)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000626102541 492933232 /nfs/dbraw/zinc/93/32/32/492933232.db2.gz MZOFIDSBVUCQNA-UHFFFAOYSA-N -1 3 356.382 0.717 10 0 FCAEHM Cn1cnnc1S(=O)(=O)[N-][C@H](CO)c1cccc(Br)c1 ZINC000632115551 492933528 /nfs/dbraw/zinc/93/35/28/492933528.db2.gz VTJXXGKMQWHHMM-SNVBAGLBSA-N -1 3 361.221 0.590 10 0 FCAEHM Cn1cnnc1S(=O)(=O)[N-][C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000632161148 492941739 /nfs/dbraw/zinc/94/17/39/492941739.db2.gz SITSLJWLDLICFP-OLZOCXBDSA-N -1 3 357.386 0.817 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]C[C@H]1CC(=O)N(C2CC2)C1 ZINC000632193079 492948849 /nfs/dbraw/zinc/94/88/49/492948849.db2.gz ANSSUWTXKFWBRL-MRVPVSSYSA-N -1 3 366.365 0.728 10 0 FCAEHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)[C@@H]2CC(=O)N(C3CC3)C2)[C@]12CCCO2 ZINC000632211500 492951672 /nfs/dbraw/zinc/95/16/72/492951672.db2.gz OODGSACWUMFTPU-HLPPOEQASA-N -1 3 358.460 0.396 10 0 FCAEHM O=C(Nc1ccccc1)C1([N-]S(=O)(=O)[C@@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000632244268 492956667 /nfs/dbraw/zinc/95/66/67/492956667.db2.gz GERQHPXFKXVGCD-CQSZACIVSA-N -1 3 363.439 0.840 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]Cc2ccc(C)n(C)c2=O)coc1C(=O)N(C)C ZINC000645684908 492958973 /nfs/dbraw/zinc/95/89/73/492958973.db2.gz MELWDKHPDGFWTE-UHFFFAOYSA-N -1 3 367.427 0.775 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CC2(S(C)(=O)=O)CC2)coc1C(=O)N(C)C ZINC000645689402 492960832 /nfs/dbraw/zinc/96/08/32/492960832.db2.gz GQAOXAGGPBZHGS-UHFFFAOYSA-N -1 3 364.445 0.145 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]Cc2ncnn2C(C)C)coc1C(=O)N(C)C ZINC000645719061 492965743 /nfs/dbraw/zinc/96/57/43/492965743.db2.gz JDEWCNUTRKJKIV-UHFFFAOYSA-N -1 3 355.420 0.941 10 0 FCAEHM Cn1cnnc1S(=O)(=O)[N-]Cc1cc(Cl)ccc1N1CCOCC1 ZINC000632301816 492968373 /nfs/dbraw/zinc/96/83/73/492968373.db2.gz NWCQDLGDWQCUPS-UHFFFAOYSA-N -1 3 371.850 0.784 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@@H]2CCN(CC(F)F)C2)coc1C(=O)N(C)C ZINC000645764391 492971860 /nfs/dbraw/zinc/97/18/60/492971860.db2.gz VFDFFMLFEFCBKJ-SNVBAGLBSA-N -1 3 365.402 0.908 10 0 FCAEHM O=C1C[C@@H](S(=O)(=O)[N-]Cc2ncn(-c3ccccc3)n2)CN1C1CC1 ZINC000632374029 492985717 /nfs/dbraw/zinc/98/57/17/492985717.db2.gz KYKYEZUMWURZDG-CQSZACIVSA-N -1 3 361.427 0.450 10 0 FCAEHM CO[C@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000632406782 492991759 /nfs/dbraw/zinc/99/17/59/492991759.db2.gz VMKXFDYPYDSODO-SCZZXKLOSA-N -1 3 357.354 0.769 10 0 FCAEHM O=C(C[N-]S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1c(F)cccc1F ZINC000632480677 493006029 /nfs/dbraw/zinc/00/60/29/493006029.db2.gz XBCVTRAQPDZROR-SNVBAGLBSA-N -1 3 358.366 0.830 10 0 FCAEHM O=C(Cc1cc(C(F)(F)F)ccn1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000626708249 493010296 /nfs/dbraw/zinc/01/02/96/493010296.db2.gz AVAQQKSYJCAIGS-CQSZACIVSA-N -1 3 356.304 0.844 10 0 FCAEHM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-][C@H]1CS(=O)(=O)C1(C)C ZINC000632495315 493012098 /nfs/dbraw/zinc/01/20/98/493012098.db2.gz ONXLGSMXPJIDGH-KBPBESRZSA-N -1 3 361.485 0.739 10 0 FCAEHM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000652812278 493022837 /nfs/dbraw/zinc/02/28/37/493022837.db2.gz FZNSTRICKXXASP-UONOGXRCSA-N -1 3 371.397 0.398 10 0 FCAEHM CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CC1 ZINC000646176268 493023033 /nfs/dbraw/zinc/02/30/33/493023033.db2.gz KNZDODDGQURYNK-MJBXVCDLSA-N -1 3 352.435 0.188 10 0 FCAEHM C[C@H]1C[C@@H]1c1noc(CC2CCN(C(=O)C[C@@H]3NC(=O)[N-]C3=O)CC2)n1 ZINC000652845847 493028395 /nfs/dbraw/zinc/02/83/95/493028395.db2.gz FCUMQMHLKABASG-DLOVCJGASA-N -1 3 361.402 0.572 10 0 FCAEHM C[C@H]1CN(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)CCc2ccccc21 ZINC000652884957 493032349 /nfs/dbraw/zinc/03/23/49/493032349.db2.gz SAVZINQAGJBTFS-ZDUSSCGKSA-N -1 3 362.455 0.887 10 0 FCAEHM CN1CCO[C@H](CS(=O)(=O)[N-]C[C@]2(C)COc3ccccc3O2)C1 ZINC000632589784 493037929 /nfs/dbraw/zinc/03/79/29/493037929.db2.gz XUYFFEBPDKCJLK-XJKSGUPXSA-N -1 3 356.444 0.467 10 0 FCAEHM C[C@]1(C[N-]S(=O)(=O)[C@@H]2CC(=O)N(C3CC3)C2)COc2ccccc2O1 ZINC000632589426 493037979 /nfs/dbraw/zinc/03/79/79/493037979.db2.gz NGPRNNVUGDIPNH-DYVFJYSZSA-N -1 3 366.439 0.899 10 0 FCAEHM O=S(=O)(Cc1ncsc1Br)[N-]C[C@H](O)[C@@H]1CCCO1 ZINC000632592447 493039699 /nfs/dbraw/zinc/03/96/99/493039699.db2.gz GAZNAYBDSJAOCG-IUCAKERBSA-N -1 3 371.278 0.865 10 0 FCAEHM Cn1cnnc1S(=O)(=O)[N-]C[C@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000632594048 493040415 /nfs/dbraw/zinc/04/04/15/493040415.db2.gz KZOUZXXVVAOWMP-ZDUSSCGKSA-N -1 3 371.850 0.652 10 0 FCAEHM CN(CC[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C)CC(F)F ZINC000632601712 493043233 /nfs/dbraw/zinc/04/32/33/493043233.db2.gz MRENJGIISKHTLK-UHFFFAOYSA-N -1 3 350.313 0.914 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CC(CN2CCOCC2)C1 ZINC000646358751 493043827 /nfs/dbraw/zinc/04/38/27/493043827.db2.gz ZJZAHSNGZUZZQG-KRWDZBQOSA-N -1 3 373.453 0.787 10 0 FCAEHM Cc1c(Br)cccc1CS(=O)(=O)[N-][C@@H]1COC[C@@H]1O ZINC000632622270 493047298 /nfs/dbraw/zinc/04/72/98/493047298.db2.gz APYIJBOTPWXWFR-NEPJUHHUSA-N -1 3 350.234 0.937 10 0 FCAEHM Cc1cncn1CC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000626895099 493054528 /nfs/dbraw/zinc/05/45/28/493054528.db2.gz LZLWQUPKKOTZKB-UHFFFAOYSA-N -1 3 358.370 0.564 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]C[C@H](n1cncn1)C(F)(F)F)[C@@H]1CCOC1 ZINC000632643365 493056378 /nfs/dbraw/zinc/05/63/78/493056378.db2.gz KCHNWLLJAIFSEH-MXWKQRLJSA-N -1 3 372.369 0.352 10 0 FCAEHM C[C@@H]1CC(=O)N(C)c2ccc(NC(=O)N3CCN4C(=O)[N-]C(=O)[C@@H]4C3)cc21 ZINC000627064267 493085428 /nfs/dbraw/zinc/08/54/28/493085428.db2.gz QDYNPUVPPMDSOW-YGRLFVJLSA-N -1 3 371.397 0.925 10 0 FCAEHM CN1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)[N-]c2cnns2)C1 ZINC000658942048 493115066 /nfs/dbraw/zinc/11/50/66/493115066.db2.gz BDFJFSKBIHJUMN-CQSZACIVSA-N -1 3 374.470 0.409 10 0 FCAEHM COc1cc(C)c(C)cc1NC(=O)C(=O)NCc1nc(CN)cc(=O)[n-]1 ZINC000659110390 493158248 /nfs/dbraw/zinc/15/82/48/493158248.db2.gz FVNXFRNIABURES-UHFFFAOYSA-N -1 3 359.386 0.521 10 0 FCAEHM O=C([O-])C1(CNC(=O)C(=O)NCCCN2CCc3ccccc3C2)CCC1 ZINC000659647650 493229707 /nfs/dbraw/zinc/22/97/07/493229707.db2.gz YYWPJJLXSPMFJR-UHFFFAOYSA-N -1 3 373.453 0.922 10 0 FCAEHM C[C@@H](CNC(=O)C(=O)NCC1(C(=O)[O-])CCC1)N(C)Cc1ccccc1 ZINC000659650629 493230570 /nfs/dbraw/zinc/23/05/70/493230570.db2.gz CXCKHTMGLCEGSJ-AWEZNQCLSA-N -1 3 361.442 0.994 10 0 FCAEHM CN(Cc1cc(=O)[n-]c(N)n1)[C@H]1CCN(C(=O)NC[C@@H]2CCCCO2)C1 ZINC000681931874 493248002 /nfs/dbraw/zinc/24/80/02/493248002.db2.gz HTQBGDRPGQTGMF-KBPBESRZSA-N -1 3 364.450 0.549 10 0 FCAEHM Cn1ccnc1COCC(=O)NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000667895401 493307668 /nfs/dbraw/zinc/30/76/68/493307668.db2.gz SAAULOFHZCNWIL-GOSISDBHSA-N -1 3 371.397 0.308 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1C[C@H](O)CC(F)(F)C1 ZINC000682585978 493309953 /nfs/dbraw/zinc/30/99/53/493309953.db2.gz FQFOCFWUZHIJMQ-GFCCVEGCSA-N -1 3 364.352 0.911 10 0 FCAEHM Cn1nccc1[C@H](CO)[N-]S(=O)(=O)c1cccc2c1OC(F)(F)O2 ZINC000668261851 493327734 /nfs/dbraw/zinc/32/77/34/493327734.db2.gz WNQJGPILSGTBJI-QMMMGPOBSA-N -1 3 361.326 0.754 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000673968494 493378216 /nfs/dbraw/zinc/37/82/16/493378216.db2.gz DPIBTXXFSYYDHU-UHFFFAOYSA-N -1 3 355.398 0.998 10 0 FCAEHM Cc1cc2cccnc2c(S(=O)(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000683952853 493381637 /nfs/dbraw/zinc/38/16/37/493381637.db2.gz KFIIZROGHXHVQX-QGZVFWFLSA-N -1 3 374.422 0.906 10 0 FCAEHM O=C([C@H]1CCCN1Cc1ccccn1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000684078767 493392728 /nfs/dbraw/zinc/39/27/28/493392728.db2.gz JYTJFUGREXCEPW-KDOFPFPSSA-N -1 3 357.414 0.247 10 0 FCAEHM Cn1ccc(NC(=O)CNC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)n1 ZINC000684171076 493397911 /nfs/dbraw/zinc/39/79/11/493397911.db2.gz KMZANUXVDMRKCV-UHFFFAOYSA-N -1 3 369.378 0.299 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)CC[C@@H]2NC(=O)[N-]C2=O)CC(=O)N1Cc1ccccc1 ZINC000685015540 493442304 /nfs/dbraw/zinc/44/23/04/493442304.db2.gz PJNHWODRJPOVPG-XBFCOCLRSA-N -1 3 358.398 0.280 10 0 FCAEHM CCN(CC)CCS(=O)(=O)[N-][C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000685593240 493505066 /nfs/dbraw/zinc/50/50/66/493505066.db2.gz XRLSGOYYKJUPPM-JSGCOSHPSA-N -1 3 357.480 0.175 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC(C3CCOCC3)C2)cn1C ZINC000669736702 493523929 /nfs/dbraw/zinc/52/39/29/493523929.db2.gz AQGOZFDNGOEBKQ-UHFFFAOYSA-N -1 3 370.475 0.282 10 0 FCAEHM CCN1CC[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)C1=O ZINC000670170014 493549918 /nfs/dbraw/zinc/54/99/18/493549918.db2.gz FEHZXKBMBALVPS-CMPLNLGQSA-N -1 3 357.407 0.230 10 0 FCAEHM CCN1CC[C@@H](NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C1=O ZINC000670190137 493552078 /nfs/dbraw/zinc/55/20/78/493552078.db2.gz JSDIAVCZQBKFRH-OAHLLOKOSA-N -1 3 360.414 0.480 10 0 FCAEHM NCc1cc(=O)[n-]c(CNC(=O)[C@@H]2CSCN2C(=O)c2ccccc2)n1 ZINC000662944938 493558329 /nfs/dbraw/zinc/55/83/29/493558329.db2.gz CEDOFXQAPGXXPZ-ZDUSSCGKSA-N -1 3 373.438 0.472 10 0 FCAEHM CC1N=NC(C(=O)Nc2cccc(CC(=O)N3CCN(C)CC3)c2)=C1[O-] ZINC000676631323 493563785 /nfs/dbraw/zinc/56/37/85/493563785.db2.gz RYSDHYWTSIKTPJ-UHFFFAOYSA-N -1 3 357.414 0.993 10 0 FCAEHM CS(=O)(=O)CCCS(=O)(=O)[N-][C@H](CO)c1cc(F)ccc1F ZINC000676848231 493574094 /nfs/dbraw/zinc/57/40/94/493574094.db2.gz BIAOPFQKWKHSLF-GFCCVEGCSA-N -1 3 357.400 0.352 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CCc3ncccc3C2)cn1C ZINC000676786783 493571059 /nfs/dbraw/zinc/57/10/59/493571059.db2.gz YIAGIHBALZOAAW-UHFFFAOYSA-N -1 3 363.443 0.377 10 0 FCAEHM CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663629379 493606996 /nfs/dbraw/zinc/60/69/96/493606996.db2.gz JAOCHZZUHWEASE-ILXRZTDVSA-N -1 3 351.447 0.689 10 0 FCAEHM CN1CCN(C(=O)NCc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)CCC1=O ZINC000663920604 493625921 /nfs/dbraw/zinc/62/59/21/493625921.db2.gz WQKVIWVKWPHLDS-SFHVURJKSA-N -1 3 373.413 0.115 10 0 FCAEHM C[C@@H]1CN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)CCN1S(C)(=O)=O ZINC000664383366 493656954 /nfs/dbraw/zinc/65/69/54/493656954.db2.gz QCHUVNFDDBNIHP-SECBINFHSA-N -1 3 366.399 0.068 10 0 FCAEHM C[C@@H]1CN(C(=O)NCC[N-]S(=O)(=O)c2cccs2)C[C@@H](C)C1O ZINC000664503250 493664224 /nfs/dbraw/zinc/66/42/24/493664224.db2.gz RPIKFLMYKSTDAE-GHMZBOCLSA-N -1 3 361.489 0.685 10 0 FCAEHM C[C@H]1CN(C(=O)NCC[N-]S(=O)(=O)c2cccs2)C[C@H](C)C1O ZINC000664503252 493664441 /nfs/dbraw/zinc/66/44/41/493664441.db2.gz RPIKFLMYKSTDAE-QWRGUYRKSA-N -1 3 361.489 0.685 10 0 FCAEHM C[C@H]1CCN(S(=O)(=O)[N-]c2cnn(CC(=O)NC3CCCC3)c2)C1 ZINC000679183441 493671282 /nfs/dbraw/zinc/67/12/82/493671282.db2.gz DGZRGFLMHKSHJQ-LBPRGKRZSA-N -1 3 355.464 0.940 10 0 FCAEHM O=C(Nc1cccc([C@H]2CNC(=O)C2)c1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000679343534 493676502 /nfs/dbraw/zinc/67/65/02/493676502.db2.gz BTOJXOKHTJXVHL-YPMHNXCESA-N -1 3 357.370 0.058 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)NC1(CCO)CCOCC1 ZINC000679403036 493678345 /nfs/dbraw/zinc/67/83/45/493678345.db2.gz JOURUBXZTQNWKD-UHFFFAOYSA-N -1 3 361.398 0.540 10 0 FCAEHM CC(C)c1nc(S(=O)(=O)[N-]C[C@@H]2CCCCN2S(C)(=O)=O)c[nH]1 ZINC000671701304 493703176 /nfs/dbraw/zinc/70/31/76/493703176.db2.gz PDHGDXHETNMLEU-NSHDSACASA-N -1 3 364.493 0.626 10 0 FCAEHM Cc1nc(S(=O)(=O)N2CCC[C@H]2C[C@@]2(C)NC(=O)[N-]C2=O)sc1C ZINC000671698441 493703223 /nfs/dbraw/zinc/70/32/23/493703223.db2.gz DDBXZALDCZECEM-IINYFYTJSA-N -1 3 372.472 0.901 10 0 FCAEHM CC(C)c1nc(S(=O)(=O)[N-]C[C@H]2CCCCN2S(C)(=O)=O)c[nH]1 ZINC000671701303 493703321 /nfs/dbraw/zinc/70/33/21/493703321.db2.gz PDHGDXHETNMLEU-LLVKDONJSA-N -1 3 364.493 0.626 10 0 FCAEHM Cn1cc(CNC(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)nn1 ZINC000679965261 493703540 /nfs/dbraw/zinc/70/35/40/493703540.db2.gz AAUOGFOWAMXFPF-UHFFFAOYSA-N -1 3 368.394 0.717 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNc2ccnc(N3CCOCC3)n2)s1 ZINC000680528053 493722661 /nfs/dbraw/zinc/72/26/61/493722661.db2.gz UIPMOEMVAFOZPH-UHFFFAOYSA-N -1 3 369.472 0.895 10 0 FCAEHM CCO[C@H]1COCC[C@H]1NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000680545426 493723242 /nfs/dbraw/zinc/72/32/42/493723242.db2.gz DVTGMZJPDCDIQT-YUTCNCBUSA-N -1 3 374.434 0.803 10 0 FCAEHM CN1NN=C2C1=NCC[C@H]2C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000665904267 493743947 /nfs/dbraw/zinc/74/39/47/493743947.db2.gz XQBKWPCEMKMPPU-SECBINFHSA-N -1 3 350.404 0.221 10 0 FCAEHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)N[C@H]2CCNC2=O)ccc1F ZINC000666163558 493760849 /nfs/dbraw/zinc/76/08/49/493760849.db2.gz MGJRJRSXPREVCG-NSHDSACASA-N -1 3 372.422 0.913 10 0 FCAEHM O=S(=O)([N-]C[C@H]1CCS(=O)(=O)C1)c1cccnc1C(F)(F)F ZINC000672376385 493761958 /nfs/dbraw/zinc/76/19/58/493761958.db2.gz PLXIAEFENCZGLJ-MRVPVSSYSA-N -1 3 358.363 0.813 10 0 FCAEHM CS(=O)(=O)NC1CC([N-]S(=O)(=O)c2cccnc2C(F)(F)F)C1 ZINC000672414660 493764637 /nfs/dbraw/zinc/76/46/37/493764637.db2.gz LRDXCQFXRFCNNE-UHFFFAOYSA-N -1 3 373.378 0.459 10 0 FCAEHM CCN(CC)CC(=O)N1CC[C@@H](N(C)Cc2cc(=O)[n-]c(N(C)C)n2)C1 ZINC000276496914 520574578 /nfs/dbraw/zinc/57/45/78/520574578.db2.gz PEYOGIGOFJSSMK-OAHLLOKOSA-N -1 3 364.494 0.623 10 0 FCAEHM CC(=O)c1ccc(C(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1[O-] ZINC000412347069 527261395 /nfs/dbraw/zinc/26/13/95/527261395.db2.gz NPOQHCVXTMDJPK-CYBMUJFWSA-N -1 3 369.443 0.595 10 0 FCAEHM CCCc1nc(=NC(=O)C(=O)N2CC[C@H](N3CCCC3)[C@H]2C)s[n-]1 ZINC000411525402 528684066 /nfs/dbraw/zinc/68/40/66/528684066.db2.gz BGQAELPVYDZTIO-NEPJUHHUSA-N -1 3 351.476 0.936 10 0 FCAEHM COC(=O)[C@H](CO)NC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000443906275 536690771 /nfs/dbraw/zinc/69/07/71/536690771.db2.gz IZNFROLRLMZZKQ-NSHDSACASA-N -1 3 369.171 0.554 10 0 FCAEHM COc1cc(C(=O)N2CCN(C(=O)CN(C)C)CC2)cc(Cl)c1[O-] ZINC000442861579 536887562 /nfs/dbraw/zinc/88/75/62/536887562.db2.gz DLWPTDVXBPFMMN-UHFFFAOYSA-N -1 3 355.822 0.900 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC000328741253 546520573 /nfs/dbraw/zinc/52/05/73/546520573.db2.gz NJYIWNDLILPKIS-SDDRHHMPSA-N -1 3 358.391 0.119 10 0 FCAEHM CCCCc1nc(C(=O)OCC)c(NC(=O)[C@H]2CCN(C)S2(=O)=O)[n-]1 ZINC000592625054 546658625 /nfs/dbraw/zinc/65/86/25/546658625.db2.gz LKHKTBIKFUEZAG-SNVBAGLBSA-N -1 3 372.447 0.901 10 0 FCAEHM CCCCc1nc(NC(=O)[C@H]2CCN(C)S2(=O)=O)c(C(=O)OCC)[n-]1 ZINC000592625054 546658629 /nfs/dbraw/zinc/65/86/29/546658629.db2.gz LKHKTBIKFUEZAG-SNVBAGLBSA-N -1 3 372.447 0.901 10 0 FCAEHM COC(=O)[C@H](CCF)[N-]S(=O)(=O)c1cnc2c(Cl)c(C)nn2c1 ZINC000593634562 546725245 /nfs/dbraw/zinc/72/52/45/546725245.db2.gz WTLJIWUILWJYCP-VIFPVBQESA-N -1 3 364.786 0.871 10 0 FCAEHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]CC[C@@]2(O)CCOC2)c1 ZINC000593636045 546732989 /nfs/dbraw/zinc/73/29/89/546732989.db2.gz BIEZJAQBBBZJLL-OAHLLOKOSA-N -1 3 361.391 0.822 10 0 FCAEHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]CC[C@@]2(O)CCOC2)s1 ZINC000593636086 546733356 /nfs/dbraw/zinc/73/33/56/546733356.db2.gz CHMHYVUNIVFTEL-CYBMUJFWSA-N -1 3 365.429 0.363 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593708848 546739947 /nfs/dbraw/zinc/73/99/47/546739947.db2.gz ARCLYYLULHBMEK-JGFXERHSSA-N -1 3 370.452 0.904 10 0 FCAEHM COC(=O)[C@@H](CCF)NC(=O)C[N-]S(=O)(=O)c1ccccc1F ZINC000593806629 546753372 /nfs/dbraw/zinc/75/33/72/546753372.db2.gz GASIVDOYYDAFQO-SNVBAGLBSA-N -1 3 350.343 0.121 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@@H]1CCc2c(nnn2C)C1 ZINC000594479034 546795935 /nfs/dbraw/zinc/79/59/35/546795935.db2.gz MRFDCOCBJBQBOD-SNVBAGLBSA-N -1 3 368.415 0.647 10 0 FCAEHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]C[C@](C)(CO)OC ZINC000594483829 546796595 /nfs/dbraw/zinc/79/65/95/546796595.db2.gz GHYLJIGTDOUPTA-CYBMUJFWSA-N -1 3 351.808 0.802 10 0 FCAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C[C@@](C)(CO)OC ZINC000594485024 546797483 /nfs/dbraw/zinc/79/74/83/546797483.db2.gz OVGUNIGGLQGTSK-WPRPVWTQSA-N -1 3 351.343 0.187 10 0 FCAEHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]C[C@@H](OC)[C@H]1CCOC1 ZINC000594804537 546828352 /nfs/dbraw/zinc/82/83/52/546828352.db2.gz ROILEDKXFHOWCA-GXFFZTMASA-N -1 3 361.416 0.958 10 0 FCAEHM COC(=O)c1ncccc1S(=O)(=O)[N-][C@H](CO)[C@H]1CCC[C@@H](OC)C1 ZINC000594806492 546828372 /nfs/dbraw/zinc/82/83/72/546828372.db2.gz CELWSPJJFURXHH-YNEHKIRRSA-N -1 3 372.443 0.713 10 0 FCAEHM COC(=O)[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1F ZINC000594818180 546832088 /nfs/dbraw/zinc/83/20/88/546832088.db2.gz AOFGQTGUHKRYIX-WCQYABFASA-N -1 3 360.363 0.393 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCO[C@H]2C(=O)OC)cc1F ZINC000594823621 546837199 /nfs/dbraw/zinc/83/71/99/546837199.db2.gz USIQGBWDQIEDBR-NWDGAFQWSA-N -1 3 361.347 0.221 10 0 FCAEHM CO[C@@H]1CN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)C[C@@H]1OC ZINC000277987089 546868800 /nfs/dbraw/zinc/86/88/00/546868800.db2.gz WEBZBPXOBKIBOD-WCFLWFBJSA-N -1 3 360.407 0.365 10 0 FCAEHM CNC(=O)c1cc(S(=O)(=O)[N-]C2(C(F)(F)F)CCOCC2)cn1C ZINC000545471800 547031771 /nfs/dbraw/zinc/03/17/71/547031771.db2.gz QXUQGEXQNWWXLN-UHFFFAOYSA-N -1 3 369.365 0.775 10 0 FCAEHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)s1 ZINC000546075456 547037837 /nfs/dbraw/zinc/03/78/37/547037837.db2.gz BDSZNECXYSIGAV-QMMMGPOBSA-N -1 3 357.461 0.926 10 0 FCAEHM C[C@H](COC1CCCC1)CS(=O)(=O)[N-]CC(=O)Nc1ccn(C)n1 ZINC000549413464 547358949 /nfs/dbraw/zinc/35/89/49/547358949.db2.gz GXYWQCJCMDCJFS-GFCCVEGCSA-N -1 3 358.464 0.873 10 0 FCAEHM COC(=O)CCCc1nnc([N-]C(=O)c2ccc3c(n2)OCCO3)s1 ZINC000593982060 547363854 /nfs/dbraw/zinc/36/38/54/547363854.db2.gz CCRKPWBSQHGRKG-UHFFFAOYSA-N -1 3 364.383 1.452 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)O[C@H](C(=O)N(C)C)C(C)C ZINC000729698117 665740187 /nfs/dbraw/zinc/74/01/87/665740187.db2.gz JRXZVWWZRLETMG-LBPRGKRZSA-N -1 3 361.420 0.226 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CC2(O)CCOCC2)c(Br)n1 ZINC000866837788 663136613 /nfs/dbraw/zinc/13/66/13/663136613.db2.gz DZDKOIQGYCDFBZ-UHFFFAOYSA-N -1 3 354.226 0.002 10 0 FCAEHM NS(=O)(=O)c1ccc(CN/C=C2/C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000053194608 664225803 /nfs/dbraw/zinc/22/58/03/664225803.db2.gz SCRWXJHVGZWGNY-XNTDXEJSSA-N -1 3 357.391 0.735 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@H]2C[C@H](N3CCOCC3)C2(C)C)nc1Cl ZINC000867451897 664289112 /nfs/dbraw/zinc/28/91/12/664289112.db2.gz OIKSUWZQFGXULM-QWRGUYRKSA-N -1 3 362.883 0.851 10 0 FCAEHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cnn(C)c2I)CO1 ZINC000867452351 664468781 /nfs/dbraw/zinc/46/87/81/664468781.db2.gz CYLIMSPBHWWRFG-NKWVEPMBSA-N -1 3 371.200 0.480 10 0 FCAEHM CN(C)C(=O)C1(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CC1 ZINC000840503449 664919860 /nfs/dbraw/zinc/91/98/60/664919860.db2.gz DMMWITCMGSFVSD-UHFFFAOYSA-N -1 3 369.418 0.617 10 0 FCAEHM CC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2cn(C)nc2Br)C1 ZINC000867547757 665167952 /nfs/dbraw/zinc/16/79/52/665167952.db2.gz HMQTWKLAFYCAIE-MRVPVSSYSA-N -1 3 351.226 0.082 10 0 FCAEHM O=C([C@@H]1CCCN1C(=O)c1ccccc1[O-])N1CC2(C1)CS(=O)(=O)C2 ZINC000910701201 666268878 /nfs/dbraw/zinc/26/88/78/666268878.db2.gz RJOOFBVUAAGRLI-ZDUSSCGKSA-N -1 3 364.423 0.254 10 0 FCAEHM C[C@@]1(NC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)CN2CCC1CC2 ZINC000912377906 666435783 /nfs/dbraw/zinc/43/57/83/666435783.db2.gz BXYFMMPDVCJGKH-MRXNPFEDSA-N -1 3 373.425 0.844 10 0 FCAEHM CN1CCOC[C@@]1(CO)C[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000921339185 666436521 /nfs/dbraw/zinc/43/65/21/666436521.db2.gz YUAFVUUKZCYKDJ-LBPRGKRZSA-N -1 3 369.365 0.072 10 0 FCAEHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@]1(CO)COCCN1C ZINC000921340111 666437400 /nfs/dbraw/zinc/43/74/00/666437400.db2.gz VRPXYWSVHGLFGA-INIZCTEOSA-N -1 3 372.418 0.852 10 0 FCAEHM COC(=O)[C@@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1ccc(C)nn1 ZINC000921382149 666442666 /nfs/dbraw/zinc/44/26/66/666442666.db2.gz YASMDOLQAOFYAV-CYBMUJFWSA-N -1 3 353.375 0.987 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000912468761 666444138 /nfs/dbraw/zinc/44/41/38/666444138.db2.gz GWKSXVPQIODJQR-CHWSQXEVSA-N -1 3 352.460 0.706 10 0 FCAEHM CO[C@@]1(C[N-]S(=O)(=O)c2cccc(Cl)c2F)CCS(=O)(=O)C1 ZINC000921465705 666448984 /nfs/dbraw/zinc/44/89/84/666448984.db2.gz MCWISELJICYWAP-GFCCVEGCSA-N -1 3 371.839 0.961 10 0 FCAEHM CCC(=O)N1CSC[C@@H]1C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000730312078 666627006 /nfs/dbraw/zinc/62/70/06/666627006.db2.gz OTXCJPLSCGOFDX-SECBINFHSA-N -1 3 356.425 0.859 10 0 FCAEHM O=S(=O)(Cc1noc2c1CCCC2)[N-]C[C@@H]1COC2(CCOCC2)O1 ZINC000914334715 666740428 /nfs/dbraw/zinc/74/04/28/666740428.db2.gz CSADPICXDRSSEV-GFCCVEGCSA-N -1 3 372.443 0.895 10 0 FCAEHM CN1C(=O)C[C@@H]([N-]S(=O)(=O)C2(COCc3ccccc3)CC2)C1=O ZINC000915323246 666842711 /nfs/dbraw/zinc/84/27/11/666842711.db2.gz YXNSCIYYZYFCOD-CYBMUJFWSA-N -1 3 352.412 0.413 10 0 FCAEHM C[C@@H](CC[N-]S(=O)(=O)c1cnn(C)c1Br)[S@@](C)=O ZINC000866973241 667099463 /nfs/dbraw/zinc/09/94/63/667099463.db2.gz CTGLQYXSNMPGLS-BWKAKNAASA-N -1 3 358.283 0.618 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]CCCn2c(=O)ccn(C)c2=O)c(F)c1F ZINC000918316821 667110034 /nfs/dbraw/zinc/11/00/34/667110034.db2.gz IGARPGYVYBGADT-UHFFFAOYSA-N -1 3 373.381 0.502 10 0 FCAEHM Cc1cc(F)c(S(=O)(=O)[N-]CC23COCCN2CCOC3)cc1F ZINC000918385460 667118523 /nfs/dbraw/zinc/11/85/23/667118523.db2.gz DPIBBYFYQFMPRX-UHFFFAOYSA-N -1 3 362.398 0.653 10 0 FCAEHM O=S(=O)([N-]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(Br)cn1 ZINC000921617610 667145666 /nfs/dbraw/zinc/14/56/66/667145666.db2.gz KDTSVCATHXSCMF-IEBDPFPHSA-N -1 3 363.233 0.926 10 0 FCAEHM CNC(=O)C1([N-]S(=O)(=O)c2cc(F)c(OC)cc2F)CCOCC1 ZINC000919961589 667209339 /nfs/dbraw/zinc/20/93/39/667209339.db2.gz SNEOOLMDGVOQLU-UHFFFAOYSA-N -1 3 364.370 0.547 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F)[C@H]1CN(C)CCN1C ZINC000919973609 667210034 /nfs/dbraw/zinc/21/00/34/667210034.db2.gz BZSAGINZMYFABC-NXEZZACHSA-N -1 3 369.413 0.352 10 0 FCAEHM COC1(OC)CC([N-]S(=O)(=O)c2cn(C)nc2Br)C1 ZINC000920069996 667222471 /nfs/dbraw/zinc/22/24/71/667222471.db2.gz CGXCZWJGMBHVHS-UHFFFAOYSA-N -1 3 354.226 0.612 10 0 FCAEHM O=C1COc2ccccc2CN1CC[N-]S(=O)(=O)c1cscn1 ZINC000920936773 667261493 /nfs/dbraw/zinc/26/14/93/667261493.db2.gz MXRQKNOARIXRHU-UHFFFAOYSA-N -1 3 353.425 0.843 10 0 FCAEHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]CC[C@@H]2CC(=O)N(C)C2)c1 ZINC000921083516 667267934 /nfs/dbraw/zinc/26/79/34/667267934.db2.gz PINBODCWMPVACI-SNVBAGLBSA-N -1 3 358.391 0.759 10 0 FCAEHM CCCCC[C@@H]([N-]S(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)OC ZINC000751988443 667498831 /nfs/dbraw/zinc/49/88/31/667498831.db2.gz KMDRTPASBYZUOF-GFCCVEGCSA-N -1 3 355.478 0.605 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C(N)=O)CC[C@H]2C)ccc1F ZINC000752411940 667514427 /nfs/dbraw/zinc/51/44/27/667514427.db2.gz DTJYRPDNLBRHAG-MWLCHTKSSA-N -1 3 357.407 0.460 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CCO[C@H]2CCOC2)c(Br)n1 ZINC000921883891 667532204 /nfs/dbraw/zinc/53/22/04/667532204.db2.gz YWUMINZCHLLIKC-QMMMGPOBSA-N -1 3 354.226 0.266 10 0 FCAEHM COc1ccc([O-])c(S(=O)(=O)NC[C@H]2CCN2C2CCOCC2)c1 ZINC000921911264 667540167 /nfs/dbraw/zinc/54/01/67/667540167.db2.gz OAOPEDLDPHDUMG-CYBMUJFWSA-N -1 3 356.444 0.932 10 0 FCAEHM COC(=O)[C@@H]1CC[C@@H]1[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000921972968 667557348 /nfs/dbraw/zinc/55/73/48/667557348.db2.gz DCXZPVULORRATJ-RQJHMYQMSA-N -1 3 352.210 0.413 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-][C@H]2C(=O)NCC2(CC)CC)CCOCC1 ZINC000922037955 667572371 /nfs/dbraw/zinc/57/23/71/667572371.db2.gz GCWQBUFSZIIWRT-ZDUSSCGKSA-N -1 3 362.492 0.796 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-][C@@H]2C(=O)NCC2(CC)CC)CCOCC1 ZINC000922037954 667572405 /nfs/dbraw/zinc/57/24/05/667572405.db2.gz GCWQBUFSZIIWRT-CYBMUJFWSA-N -1 3 362.492 0.796 10 0 FCAEHM COc1cc(F)c(S(=O)(=O)[N-][C@H]2CCc3nnn(C)c3C2)cc1F ZINC000922039043 667572737 /nfs/dbraw/zinc/57/27/37/667572737.db2.gz NQAYYDCVHFEZBZ-QMMMGPOBSA-N -1 3 358.370 0.938 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)OCc1cc(C(F)(F)F)nn1C ZINC000922525982 667662200 /nfs/dbraw/zinc/66/22/00/667662200.db2.gz QUVNCRXWORUZCY-UHFFFAOYSA-N -1 3 373.353 0.438 10 0 FCAEHM C[C@H](CC(=O)N[C@@H](C)[C@@H](C)CO)[N-]S(=O)(=O)c1cccnc1Cl ZINC000757088815 667696918 /nfs/dbraw/zinc/69/69/18/667696918.db2.gz HHRPDBSUAURTCE-AXFHLTTASA-N -1 3 363.867 0.925 10 0 FCAEHM C[C@@H](CC(=O)N1CCNC(=O)CC1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000760525624 667853065 /nfs/dbraw/zinc/85/30/65/667853065.db2.gz YVYDRDLIROBIJH-JTQLQIEISA-N -1 3 374.850 0.140 10 0 FCAEHM O=S(=O)([N-]CCCN1CCCS1(=O)=O)c1cccnc1Cl ZINC000738373493 667915898 /nfs/dbraw/zinc/91/58/98/667915898.db2.gz ZBZAGJJHBJISIO-UHFFFAOYSA-N -1 3 353.853 0.439 10 0 FCAEHM COc1n[n-]c(NC(=O)c2cc(S(=O)(=O)NC(C)C)ccc2F)n1 ZINC000778955551 668401227 /nfs/dbraw/zinc/40/12/27/668401227.db2.gz LODMEWAMSAPPQY-UHFFFAOYSA-N -1 3 357.367 0.891 10 0 FCAEHM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]Cc1nnc(C2CCC2)n1C ZINC000784029214 668640225 /nfs/dbraw/zinc/64/02/25/668640225.db2.gz BDIAYGUNNSWCAE-UHFFFAOYSA-N -1 3 368.419 0.379 10 0 FCAEHM O=C(OC[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000788913567 668843888 /nfs/dbraw/zinc/84/38/88/668843888.db2.gz JNKGZUXCPNNEKJ-GXTWGEPZSA-N -1 3 367.423 0.975 10 0 FCAEHM CCN1CN(C(=O)C[C@@H](C)[N-]S(=O)(=O)c2cccnc2Cl)CC1=O ZINC000791986542 668897587 /nfs/dbraw/zinc/89/75/87/668897587.db2.gz XTAQYORIIMEARY-SNVBAGLBSA-N -1 3 374.850 0.440 10 0 FCAEHM CON(C)S(=O)(=O)c1cccc(C(=O)NCc2ncccc2[O-])c1 ZINC000792622088 668906143 /nfs/dbraw/zinc/90/61/43/668906143.db2.gz YNKSOAPHPPSRGZ-UHFFFAOYSA-N -1 3 351.384 0.899 10 0 FCAEHM Cn1c(=O)[nH]cc(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1=O ZINC000812276107 669794521 /nfs/dbraw/zinc/79/45/21/669794521.db2.gz HXWUJSGUAZYCMH-QMMMGPOBSA-N -1 3 362.308 0.017 10 0 FCAEHM CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000812276247 669794710 /nfs/dbraw/zinc/79/47/10/669794710.db2.gz ZAYCGMYIPKGFAC-QWRGUYRKSA-N -1 3 367.393 0.825 10 0 FCAEHM COC[C@@](C)(O)CC[N-]S(=O)(=O)c1ccc(F)c(C(=O)OC)c1F ZINC000831777738 669867065 /nfs/dbraw/zinc/86/70/65/669867065.db2.gz FDMJQAONRKCGNH-AWEZNQCLSA-N -1 3 367.370 0.817 10 0 FCAEHM COC[C@](C)(O)CC[N-]S(=O)(=O)c1ccc(F)c(C(=O)OC)c1F ZINC000831777739 669867156 /nfs/dbraw/zinc/86/71/56/669867156.db2.gz FDMJQAONRKCGNH-CQSZACIVSA-N -1 3 367.370 0.817 10 0 FCAEHM CC(=O)C1CCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)CC1 ZINC000832324333 669899751 /nfs/dbraw/zinc/89/97/51/669899751.db2.gz FPNNDIMSJRIYIZ-UHFFFAOYSA-N -1 3 358.192 0.539 10 0 FCAEHM CNC(=O)[C@H](O)CNC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000816327325 669953361 /nfs/dbraw/zinc/95/33/61/669953361.db2.gz CXURHVDCKZNJAP-LLVKDONJSA-N -1 3 368.187 0.127 10 0 FCAEHM CCN(C)C(=O)[C@@H](C)[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867175784 670050380 /nfs/dbraw/zinc/05/03/80/670050380.db2.gz KNVUJNWTMCZGCS-SSDOTTSWSA-N -1 3 353.242 0.328 10 0 FCAEHM COC(=O)c1ccoc1S(=O)(=O)[N-]CCCN1CCCO[C@@H](C)C1 ZINC000867190257 670058132 /nfs/dbraw/zinc/05/81/32/670058132.db2.gz AQBJFRCHRJUDJF-LBPRGKRZSA-N -1 3 360.432 0.845 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@@H]2CCN(C)C(=O)C2)c(Br)n1 ZINC000867192864 670059547 /nfs/dbraw/zinc/05/95/47/670059547.db2.gz ADUYJSNGLIRTEN-SSDOTTSWSA-N -1 3 351.226 0.082 10 0 FCAEHM COC[C@H]([N-]S(=O)(=O)C1CN(C(=O)OC(C)(C)C)C1)[C@H]1CCCO1 ZINC000867206254 670073932 /nfs/dbraw/zinc/07/39/32/670073932.db2.gz JJDAEIZYQPMBTA-QWHCGFSZSA-N -1 3 364.464 0.719 10 0 FCAEHM C[C@H]1OCC[C@]1(O)C[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867207881 670074609 /nfs/dbraw/zinc/07/46/09/670074609.db2.gz WTRJZHZRMKGBBT-XCBNKYQSSA-N -1 3 354.226 0.001 10 0 FCAEHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](CO)c2ccnn2C)c1 ZINC000841544504 670587730 /nfs/dbraw/zinc/58/77/30/670587730.db2.gz LPRIMUOAYSISEV-LBPRGKRZSA-N -1 3 371.390 0.748 10 0 FCAEHM CC[S@@](C)(=O)=NS(=O)(=O)[N-]CCCn1cc(Br)cn1 ZINC000867271782 670609836 /nfs/dbraw/zinc/60/98/36/670609836.db2.gz GHXFJVUYBLPJBT-GOSISDBHSA-N -1 3 373.298 0.988 10 0 FCAEHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)c2cn(C)nn2)c1 ZINC000842825438 670740524 /nfs/dbraw/zinc/74/05/24/670740524.db2.gz PAFUJNRQTVOZNJ-UHFFFAOYSA-N -1 3 356.379 0.954 10 0 FCAEHM C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000844033528 670885259 /nfs/dbraw/zinc/88/52/59/670885259.db2.gz FKRSKAOKYYGRGM-SECBINFHSA-N -1 3 352.357 0.022 10 0 FCAEHM CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)Cc2c(C)nc(C)[n-]c2=O)C1 ZINC000844096290 670894687 /nfs/dbraw/zinc/89/46/87/670894687.db2.gz CSFOXYNSUBRHNJ-AWEZNQCLSA-N -1 3 360.336 0.869 10 0 FCAEHM CC[C@@H]([N-]S(=O)(=O)c1cnn(C)c1I)[C@H](C)O ZINC000867352764 670917867 /nfs/dbraw/zinc/91/78/67/670917867.db2.gz HIQYBYWFTRYKHB-NKWVEPMBSA-N -1 3 373.216 0.462 10 0 FCAEHM CCO[C@@H]1COC[C@H]1[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867369404 670945077 /nfs/dbraw/zinc/94/50/77/670945077.db2.gz TZZUQJXBVTWSIV-HTQZYQBOSA-N -1 3 354.226 0.265 10 0 FCAEHM C[C@H](OC(=O)c1ccc(N)c(Cl)c1[O-])C(=O)N(C)CC(=O)NC1CC1 ZINC000845193863 670974040 /nfs/dbraw/zinc/97/40/40/670974040.db2.gz LTNGYKAFDLDNKZ-QMMMGPOBSA-N -1 3 369.805 0.910 10 0 FCAEHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]CC(=O)N(C)OCC)c1 ZINC000846004668 671066346 /nfs/dbraw/zinc/06/63/46/671066346.db2.gz KKTSAQODHMNAIN-UHFFFAOYSA-N -1 3 362.379 0.691 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CCS(=O)(=O)C2CC2)c(Br)n1 ZINC000867406459 671089685 /nfs/dbraw/zinc/08/96/85/671089685.db2.gz MCWYGXLEBGQIBJ-UHFFFAOYSA-N -1 3 372.266 0.038 10 0 FCAEHM O=c1[nH]c2cc(F)c(S(=O)(=O)[N-]C[C@H]3CN(C4CC4)C(=O)O3)cc2o1 ZINC000848514693 671283289 /nfs/dbraw/zinc/28/32/89/671283289.db2.gz QWELLNQXXZMKSS-QMMMGPOBSA-N -1 3 371.346 0.522 10 0 FCAEHM CCN1C[C@@H](COC(=O)c2ccc(F)c(S(=O)(=O)[N-]C)c2)OC1=O ZINC000848729500 671293523 /nfs/dbraw/zinc/29/35/23/671293523.db2.gz ZMQXTZPRRADYSQ-JTQLQIEISA-N -1 3 360.363 0.731 10 0 FCAEHM O=S(=O)(CC[N-]S(=O)(=O)c1cccnc1Cl)CC(F)(F)F ZINC000849441243 671345909 /nfs/dbraw/zinc/34/59/09/671345909.db2.gz QCDQCPBGPCHOER-UHFFFAOYSA-N -1 3 366.770 0.990 10 0 FCAEHM COc1cc(CS(=O)(=O)[N-]C(=O)C2CCN(C3CC3)CC2)sn1 ZINC000851437806 671441907 /nfs/dbraw/zinc/44/19/07/671441907.db2.gz UFRODZACJVQLPR-UHFFFAOYSA-N -1 3 359.473 0.972 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CCN2C[C@H]3CCCCN3C2=O)nc1Cl ZINC000851834221 671472418 /nfs/dbraw/zinc/47/24/18/671472418.db2.gz UXFKLDGICUOZMI-SNVBAGLBSA-N -1 3 361.855 0.642 10 0 FCAEHM CS(=O)(=O)CC1(CCNC(=O)NCc2nc(C(F)(F)F)n[n-]2)CC1 ZINC000854005351 671563710 /nfs/dbraw/zinc/56/37/10/671563710.db2.gz VKOCMRAAVCFNLG-UHFFFAOYSA-N -1 3 369.369 0.838 10 0 FCAEHM CC(=O)N1CSC[C@@H]1C(=O)N[C@H](C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000854453318 671579024 /nfs/dbraw/zinc/57/90/24/671579024.db2.gz DJGGCLDHBQVMRM-HOSYDEDBSA-N -1 3 366.443 0.788 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCNC(=O)CC2)ccc1F ZINC000854960925 671619500 /nfs/dbraw/zinc/61/95/00/671619500.db2.gz OJECJESUCXAAKS-LBPRGKRZSA-N -1 3 371.434 0.911 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC3=C(CCC(=O)N3)C2)ccc1F ZINC000855154547 671628277 /nfs/dbraw/zinc/62/82/77/671628277.db2.gz MXOYXXDSVVQSDM-UHFFFAOYSA-N -1 3 367.402 0.744 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](OC)[C@H]2CCOC2)ccc1F ZINC000855205539 671629590 /nfs/dbraw/zinc/62/95/90/671629590.db2.gz GYAZVYNZGABGOG-WCQYABFASA-N -1 3 360.407 0.515 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@](CO)(OC)C2)ccc1F ZINC000855443982 671642878 /nfs/dbraw/zinc/64/28/78/671642878.db2.gz HGOSDBNRIIQLMJ-HNNXBMFYSA-N -1 3 360.407 0.347 10 0 FCAEHM COC(=O)N(C)CCN(C)C(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000855886796 671667713 /nfs/dbraw/zinc/66/77/13/671667713.db2.gz ZPSZJJGUHDVBHI-UHFFFAOYSA-N -1 3 351.403 0.977 10 0 FCAEHM O=C(NC[C@@H]1CCC(=O)N1)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000855934030 671670833 /nfs/dbraw/zinc/67/08/33/671670833.db2.gz VPMDXEBFADJPGT-VIFPVBQESA-N -1 3 373.381 0.414 10 0 FCAEHM COC(=O)C1CC2(C1)CN(CC(=O)N1CCCCCC1)C[C@@H]2C(=O)[O-] ZINC000903411400 675929054 /nfs/dbraw/zinc/92/90/54/675929054.db2.gz MMKYWTNWPOYZLY-TXKKKEFDSA-N -1 3 352.431 0.975 10 0 FCAEHM COC(=O)C1CC2(C1)CN(CC(=O)N1CCC(C)CC1)C[C@@H]2C(=O)[O-] ZINC000903410719 675929066 /nfs/dbraw/zinc/92/90/66/675929066.db2.gz FHCWHQQMBHCPKM-TXKKKEFDSA-N -1 3 352.431 0.831 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]CC[C@@H]2CNCCS2(=O)=O)c(F)c1F ZINC000903541850 675941484 /nfs/dbraw/zinc/94/14/84/675941484.db2.gz YDFXFVZFQJYJNU-SNVBAGLBSA-N -1 3 368.427 0.328 10 0 FCAEHM O=S(=O)([N-]CC[C@H]1CNCCS1(=O)=O)c1cccc(Cl)c1F ZINC000903542589 675941773 /nfs/dbraw/zinc/94/17/73/675941773.db2.gz VCWPREHFGCRKNW-VIFPVBQESA-N -1 3 370.855 0.534 10 0 FCAEHM CCON(CC)C(=O)C[N-]S(=O)(=O)c1cccc(F)c1C(=O)OC ZINC000859273223 671806831 /nfs/dbraw/zinc/80/68/31/671806831.db2.gz HYRVVYAHVVVHPI-UHFFFAOYSA-N -1 3 362.379 0.691 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]C(c1ccnn1C)c1ccnn1C ZINC000859407481 671824006 /nfs/dbraw/zinc/82/40/06/671824006.db2.gz ZUEOEKUDECDTBT-UHFFFAOYSA-N -1 3 350.404 0.826 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]C(c2ccnn2C)c2ccnn2C)nc1Cl ZINC000859407286 671824090 /nfs/dbraw/zinc/82/40/90/671824090.db2.gz WUDRVXOBJRAFJD-UHFFFAOYSA-N -1 3 369.838 0.608 10 0 FCAEHM COc1cncc(COC(=O)c2ccc(S(=O)(=O)[N-]CCO)s2)n1 ZINC000859565405 671837308 /nfs/dbraw/zinc/83/73/08/671837308.db2.gz IPOODNMFQZCPPD-UHFFFAOYSA-N -1 3 373.412 0.174 10 0 FCAEHM CO[C@@H]1CN(C)[C@@](C)(COC(=O)c2ccc([N-]S(C)(=O)=O)nc2)C1 ZINC000861358713 671956756 /nfs/dbraw/zinc/95/67/56/671956756.db2.gz YUAXBTOMHZSBTN-SWLSCSKDSA-N -1 3 357.432 0.719 10 0 FCAEHM COc1cnc(F)c(NC(=O)C(=O)NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000861810709 671998216 /nfs/dbraw/zinc/99/82/16/671998216.db2.gz SOASUWKWTSTJGU-UHFFFAOYSA-N -1 3 362.243 0.621 10 0 FCAEHM CS(=O)(=O)NC[C@H]1COCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000863552498 672137277 /nfs/dbraw/zinc/13/72/77/672137277.db2.gz SKXAMGHRZSCLIB-AWEZNQCLSA-N -1 3 364.423 0.936 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000863762308 672151118 /nfs/dbraw/zinc/15/11/18/672151118.db2.gz NTTOKTQYTQHTHU-HTQZYQBOSA-N -1 3 364.832 0.311 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)ccc1F ZINC000863763908 672151392 /nfs/dbraw/zinc/15/13/92/672151392.db2.gz IKLDPNPPTDHACK-VXGBXAGGSA-N -1 3 370.402 0.757 10 0 FCAEHM C[C@@H]1C[C@@H]1C[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866494951 672278275 /nfs/dbraw/zinc/27/82/75/672278275.db2.gz UXEDADRYKFQITI-RNFRBKRXSA-N -1 3 355.201 0.959 10 0 FCAEHM CC[C@](C)([N-]S(=O)(=O)c1cn(C)nc1Br)C(=O)OC ZINC000866680208 672287344 /nfs/dbraw/zinc/28/73/44/672287344.db2.gz CZBJEMODEPEION-JTQLQIEISA-N -1 3 354.226 0.803 10 0 FCAEHM CC[C@@H](C[N-]S(=O)(=O)c1cn(C)nc1Br)C(=O)OC ZINC000867449145 672317066 /nfs/dbraw/zinc/31/70/66/672317066.db2.gz PXRAHSYWAVKTMJ-ZETCQYMHSA-N -1 3 354.226 0.660 10 0 FCAEHM O=C1C[C@@H](S(=O)(=O)[N-]C[C@]23OCCC[C@H]2C3(F)F)CN1C1CC1 ZINC000867514502 672329578 /nfs/dbraw/zinc/32/95/78/672329578.db2.gz AWIRBBWZBYYWFN-WZRBSPASSA-N -1 3 350.387 0.483 10 0 FCAEHM Cn1cnnc1S(=O)(=O)[N-][C@@H]1COc2cccc(Br)c2C1 ZINC000867836642 672373072 /nfs/dbraw/zinc/37/30/72/672373072.db2.gz BAMOMJZWVFYLEG-QMMMGPOBSA-N -1 3 373.232 0.860 10 0 FCAEHM COC(OC)[C@H](C)NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000923673695 673061823 /nfs/dbraw/zinc/06/18/23/673061823.db2.gz MGSWREIYUNHNOO-LBPRGKRZSA-N -1 3 351.403 0.867 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)CN3CSCCSC3)CC2)n1 ZINC000924294096 673749703 /nfs/dbraw/zinc/74/97/03/673749703.db2.gz PVONIQIVBUKNIG-UHFFFAOYSA-N -1 3 369.516 0.836 10 0 FCAEHM O=S(=O)(CC[N-]S(=O)(=O)c1cccnc1C(F)(F)F)NC1CC1 ZINC000557790304 673782211 /nfs/dbraw/zinc/78/22/11/673782211.db2.gz LKZCRNLQRHRAMS-UHFFFAOYSA-N -1 3 373.378 0.461 10 0 FCAEHM CC[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C1 ZINC000926344927 673824927 /nfs/dbraw/zinc/82/49/27/673824927.db2.gz AJRIWTBCOYFEKU-GLJUWKHASA-N -1 3 351.447 0.785 10 0 FCAEHM CN(CCN1CCCCC1)C(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000926388331 673828822 /nfs/dbraw/zinc/82/88/22/673828822.db2.gz DWHRIDYKDCPOOJ-LSDHHAIUSA-N -1 3 351.447 0.500 10 0 FCAEHM C[C@H]1[C@@H](NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2[O-])CCN1C ZINC000928457696 673911026 /nfs/dbraw/zinc/91/10/26/673911026.db2.gz XRGIGSBKJILVAO-WFASDCNBSA-N -1 3 367.471 0.999 10 0 FCAEHM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]C[C@H](C)N1CCCCC1=O ZINC000800939726 675718850 /nfs/dbraw/zinc/71/88/50/675718850.db2.gz RIEBLRBWNYKABL-VIFPVBQESA-N -1 3 358.420 0.184 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)COCCc1ccccc1 ZINC001719626993 1170841595 /nfs/dbraw/zinc/84/15/95/1170841595.db2.gz FKFYEKDUTNAKNQ-HIFRSBDPSA-N -1 3 357.414 0.783 10 0 FCAEHM O=C(NCCC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001267169330 1172012467 /nfs/dbraw/zinc/01/24/67/1172012467.db2.gz NPXYKDMHAZIVSE-JHJVBQTASA-N -1 3 359.434 0.898 10 0 FCAEHM Cc1ccnn1CC(=O)NC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001719711588 1179662720 /nfs/dbraw/zinc/66/27/20/1179662720.db2.gz FFPBQKFNWJPVCT-DGCLKSJQSA-N -1 3 358.402 0.212 10 0 FCAEHM COCCCC(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2cnc[n-]c2=O)C1 ZINC001719759638 1179899014 /nfs/dbraw/zinc/89/90/14/1179899014.db2.gz NZIRRYAZTNNZID-CHWSQXEVSA-N -1 3 350.419 0.823 10 0 FCAEHM C[C@@H]1CN(C(=O)CC2(O)CCC2)C[C@H]1CCNC(=O)c1cnc[n-]c1=O ZINC001719759700 1179899098 /nfs/dbraw/zinc/89/90/98/1179899098.db2.gz QAYQVVYQJCKRRH-CHWSQXEVSA-N -1 3 362.430 0.702 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cn(C)cn2)C[C@H]1CCNC(=O)c1cnc[n-]c1=O ZINC001719759340 1179900887 /nfs/dbraw/zinc/90/08/87/1179900887.db2.gz GJASMFKMVRVRFC-VXGBXAGGSA-N -1 3 358.402 0.444 10 0 FCAEHM C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CCNC(=O)c1c[n-]c2ccccc2c1=O ZINC001719762281 1179908516 /nfs/dbraw/zinc/90/85/16/1179908516.db2.gz XTSHKLUOPGKLGC-VXGBXAGGSA-N -1 3 370.409 0.228 10 0 FCAEHM C[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn[n-]n1)C2)N(C)CC(F)(F)F ZINC001719842126 1186263686 /nfs/dbraw/zinc/26/36/86/1186263686.db2.gz MJHLCCOTHXKXEA-SVDPJWKOSA-N -1 3 374.367 0.549 10 0 FCAEHM CC(=O)NCCCCCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn[n-]n1)C2 ZINC001719842435 1186266700 /nfs/dbraw/zinc/26/67/00/1186266700.db2.gz YBTXDDYPJVTCDZ-IPYPFGDCSA-N -1 3 362.434 0.363 10 0 FCAEHM C[C@@H](CNCc1nc(=O)n(C)[n-]1)N(C)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001268098229 1186387163 /nfs/dbraw/zinc/38/71/63/1186387163.db2.gz OLLCKFAZXZONGE-TUKIKUTGSA-N -1 3 361.421 0.988 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NCCCN(C(=O)[C@]12C[C@H]1COC2)C(C)C ZINC001745617800 1186724690 /nfs/dbraw/zinc/72/46/90/1186724690.db2.gz UUJLYTUBQWMKMO-UGSOOPFHSA-N -1 3 362.430 0.884 10 0 FCAEHM CCOCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c(C)nc(C)[n-]c1=O)C2 ZINC001719896620 1190094049 /nfs/dbraw/zinc/09/40/49/1190094049.db2.gz MOJCHNLMYZZLDY-YUELXQCFSA-N -1 3 362.430 0.626 10 0 FCAEHM CCOCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c(c1)C(=O)[N-]C3=O)C2 ZINC001719917550 1191212347 /nfs/dbraw/zinc/21/23/47/1191212347.db2.gz CJVWHNYBSSFXEU-DFBGVHRSSA-N -1 3 371.393 0.468 10 0 FCAEHM O=C(CN1CCN(Cc2ccccc2)CC1)NCCCc1c[n-][nH]c1=O ZINC000898732378 1194071674 /nfs/dbraw/zinc/07/16/74/1194071674.db2.gz RAEQTNZVEGWOKV-QGZVFWFLSA-N -1 3 357.458 0.432 10 0 FCAEHM COC(=O)N[C@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000899631530 1194181095 /nfs/dbraw/zinc/18/10/95/1194181095.db2.gz MHEXOZAJEAIKKV-GXTWGEPZSA-N -1 3 361.398 0.954 10 0 FCAEHM CCNC(=O)NC(=O)COC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000046332296 1196611962 /nfs/dbraw/zinc/61/19/62/1196611962.db2.gz SFIKTQXXAIDQES-LBPRGKRZSA-N -1 3 363.370 0.386 10 0 FCAEHM COc1ccc(N2C[C@H](C(=O)NCCCc3c[n-][nH]c3=O)CC2=O)cc1 ZINC001168406206 1196744665 /nfs/dbraw/zinc/74/46/65/1196744665.db2.gz YHXGBRJRQLRENB-CHWSQXEVSA-N -1 3 358.398 0.676 10 0 FCAEHM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NC34CCN(CC3)C4)cc2)[n-]1 ZINC000913627363 1197093465 /nfs/dbraw/zinc/09/34/65/1197093465.db2.gz HMIMBQMRCNUYSS-UHFFFAOYSA-N -1 3 370.409 0.459 10 0 FCAEHM CNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000744724778 1198326025 /nfs/dbraw/zinc/32/60/25/1198326025.db2.gz LYDYTVDAOIBOAF-CMPLNLGQSA-N -1 3 363.370 0.384 10 0 FCAEHM CNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000744724780 1198326681 /nfs/dbraw/zinc/32/66/81/1198326681.db2.gz LYDYTVDAOIBOAF-JQWIXIFHSA-N -1 3 363.370 0.384 10 0 FCAEHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)[C@H](C)N1C(=O)[C@H]3CCCC[C@@H]3C1=O)C2 ZINC001168929700 1199041050 /nfs/dbraw/zinc/04/10/50/1199041050.db2.gz KAFNAIRIWZDHBA-DLOVCJGASA-N -1 3 358.398 0.897 10 0 FCAEHM COC(COCCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])OC ZINC000789913753 1201039393 /nfs/dbraw/zinc/03/93/93/1201039393.db2.gz CJFIUANKXDNWHN-CQSZACIVSA-N -1 3 366.414 0.749 10 0 FCAEHM C=CC(=O)NCCC(=O)NCc1cccc(-c2nnc(C(=O)OCC)[n-]2)c1 ZINC000790159806 1201056642 /nfs/dbraw/zinc/05/66/42/1201056642.db2.gz LKHCJRIVNPNIOL-UHFFFAOYSA-N -1 3 371.397 0.957 10 0 FCAEHM C=CC(=O)NCCC(=O)NCc1cccc(-c2n[n-]c(C(=O)OCC)n2)c1 ZINC000790159806 1201056648 /nfs/dbraw/zinc/05/66/48/1201056648.db2.gz LKHCJRIVNPNIOL-UHFFFAOYSA-N -1 3 371.397 0.957 10 0 FCAEHM C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCc2ncccc2[O-])C1=O ZINC000792611189 1201206340 /nfs/dbraw/zinc/20/63/40/1201206340.db2.gz ZSVFEDHLOCABPV-SFHVURJKSA-N -1 3 354.366 0.871 10 0 FCAEHM O=C(Cn1c(=O)c2ccccc2[n-]c1=S)NC[C@H]1CN2CCN1CCC2 ZINC000808024393 1202869995 /nfs/dbraw/zinc/86/99/95/1202869995.db2.gz PPXMRTUMTPNMEH-ZDUSSCGKSA-N -1 3 373.482 0.191 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 ZINC001144232948 1204438762 /nfs/dbraw/zinc/43/87/62/1204438762.db2.gz PGTZUQWSFARJQA-PWSUYJOCSA-N -1 3 364.352 0.946 10 0 FCAEHM CCON(C)C(=O)CNC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000845568458 1204529371 /nfs/dbraw/zinc/52/93/71/1204529371.db2.gz GNUMKRRIIVAXQA-UHFFFAOYSA-N -1 3 364.402 0.270 10 0 FCAEHM O=C([C@H]1CC(=O)N(Cc2ccccn2)C1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001144503073 1204542326 /nfs/dbraw/zinc/54/23/26/1204542326.db2.gz RDRWCNXVFPCFFV-STQMWFEESA-N -1 3 355.398 0.875 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccnc(-n2cccn2)c1 ZINC001180027226 1206388081 /nfs/dbraw/zinc/38/80/81/1206388081.db2.gz GYEPGYMQRDAOPO-CYBMUJFWSA-N -1 3 351.370 0.772 10 0 FCAEHM O=C(Cc1cn2ccccc2n1)NC[C@H]1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001488917439 1208569598 /nfs/dbraw/zinc/56/95/98/1208569598.db2.gz DNHWKJWZFQCHJQ-QWHCGFSZSA-N -1 3 369.429 0.775 10 0 FCAEHM Cc1nc(CC(=O)NC[C@H]2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)cs1 ZINC001488967613 1208590207 /nfs/dbraw/zinc/59/02/07/1208590207.db2.gz WADGPRKPEVHLIZ-WDEREUQCSA-N -1 3 350.448 0.892 10 0 FCAEHM CCO[C@H](C(=O)N1C[C@@H]2CCN(C(=O)c3cnc[n-]c3=O)[C@@H]2C1)C1CC1 ZINC001489250382 1208690652 /nfs/dbraw/zinc/69/06/52/1208690652.db2.gz JLZIAFDULUBNIJ-CFVMTHIKSA-N -1 3 360.414 0.670 10 0 FCAEHM COC[C@H](C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001489462021 1208846196 /nfs/dbraw/zinc/84/61/96/1208846196.db2.gz FLUQKSMLINKKJP-UHIISALHSA-N -1 3 362.430 0.919 10 0 FCAEHM CCCCO[C@@H](C)C(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@H](OC)C1 ZINC001489528071 1208883182 /nfs/dbraw/zinc/88/31/82/1208883182.db2.gz INXNDVSLRUWYGL-IACUBPJLSA-N -1 3 366.418 0.343 10 0 FCAEHM O=C(CCC(F)F)N[C@@H]1CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C[C@@H]1O ZINC001489602463 1209031004 /nfs/dbraw/zinc/03/10/04/1209031004.db2.gz GDRSWIKKXLBRSH-MNOVXSKESA-N -1 3 370.356 0.406 10 0 FCAEHM CCOCCO[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cn[n-]n1 ZINC001489695932 1209091960 /nfs/dbraw/zinc/09/19/60/1209091960.db2.gz ORBVVFAPLAHCMP-JHJVBQTASA-N -1 3 353.423 0.404 10 0 FCAEHM CC/C=C(\C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001489912158 1209152032 /nfs/dbraw/zinc/15/20/32/1209152032.db2.gz IVJNQNUMVGPIGU-CVDKSZRLSA-N -1 3 357.418 0.619 10 0 FCAEHM CCO[C@H](C)C(=O)N[C@H]1CCN(C(=O)CCc2c(C)nc[n-]c2=O)[C@@H]1C ZINC001490075080 1209213390 /nfs/dbraw/zinc/21/33/90/1209213390.db2.gz SFEKIDUIXPHPTC-NFAWXSAZSA-N -1 3 364.446 0.954 10 0 FCAEHM CCO[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1C ZINC001490266817 1209306853 /nfs/dbraw/zinc/30/68/53/1209306853.db2.gz IPKOCGAMAUMEEU-KGYLQXTDSA-N -1 3 350.419 0.740 10 0 FCAEHM CO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCc1c(C)nc[n-]c1=O ZINC001490755281 1209423244 /nfs/dbraw/zinc/42/32/44/1209423244.db2.gz QDDTWLJEISHDTQ-MXYBEHONSA-N -1 3 362.430 0.706 10 0 FCAEHM CN1NN=C2C1=NCC[C@@H]2C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000854526764 1209632915 /nfs/dbraw/zinc/63/29/15/1209632915.db2.gz OODAWXNTNQMMQQ-UWVGGRQHSA-N -1 3 374.367 0.128 10 0 FCAEHM CCOC(=O)[C@]1(F)CN(Cc2cc(=O)n3nc(N)[n-]c3n2)CC12CCC2 ZINC000856757420 1209727434 /nfs/dbraw/zinc/72/74/34/1209727434.db2.gz KALWCSGSDZHFHE-MRXNPFEDSA-N -1 3 364.381 0.257 10 0 FCAEHM COC(=O)[C@@H]1CC[C@H](C(=O)N[C@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])O1 ZINC000861698903 1209874537 /nfs/dbraw/zinc/87/45/37/1209874537.db2.gz SMNCXLCTWPXNQW-YGNMPJRFSA-N -1 3 365.386 0.587 10 0 FCAEHM Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC000868332701 1210052774 /nfs/dbraw/zinc/05/27/74/1210052774.db2.gz JWFZHXAUJDPGIK-CQSZACIVSA-N -1 3 365.430 0.801 10 0 FCAEHM CC(=O)NC1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cn[n-]n2)C3)CCCCC1 ZINC001490830322 1211450073 /nfs/dbraw/zinc/45/00/73/1211450073.db2.gz FUIPCBYHFNZKCH-NFAWXSAZSA-N -1 3 374.445 0.505 10 0 FCAEHM C/C(=C\C(=O)N1CCN(c2nc(C)cc(=O)[n-]2)CC1)CN1CCOCC1 ZINC000924297679 1211466381 /nfs/dbraw/zinc/46/63/81/1211466381.db2.gz OFLZTMCKNGAHNY-SDNWHVSQSA-N -1 3 361.446 0.418 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)C(=O)NCc3ccc(F)cc3)CC2)n1 ZINC000924299296 1211466668 /nfs/dbraw/zinc/46/66/68/1211466668.db2.gz SIKJYOTXZZJUSX-UHFFFAOYSA-N -1 3 373.388 0.595 10 0 FCAEHM CO[C@H]1CCCN(NC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])C1 ZINC000928417545 1211601498 /nfs/dbraw/zinc/60/14/98/1211601498.db2.gz DRXMZHKIBIIILT-ZDUSSCGKSA-N -1 3 362.361 0.630 10 0 FCAEHM CO[C@H]1CCCN(NC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)C1 ZINC000928417545 1211601502 /nfs/dbraw/zinc/60/15/02/1211601502.db2.gz DRXMZHKIBIIILT-ZDUSSCGKSA-N -1 3 362.361 0.630 10 0 FCAEHM COc1nnc(NC(=O)CN2CCN(C(=O)OCc3ccccc3)CC2)[n-]1 ZINC000778956316 1211942933 /nfs/dbraw/zinc/94/29/33/1211942933.db2.gz LCVSXLWMSQTLOI-UHFFFAOYSA-N -1 3 374.401 0.706 10 0 FCAEHM COc1nc(NC(=O)CN2CCN(C(=O)OCc3ccccc3)CC2)n[n-]1 ZINC000778956316 1211942936 /nfs/dbraw/zinc/94/29/36/1211942936.db2.gz LCVSXLWMSQTLOI-UHFFFAOYSA-N -1 3 374.401 0.706 10 0 FCAEHM COc1n[n-]c(NC(=O)CN2CCN(C(=O)OCc3ccccc3)CC2)n1 ZINC000778956316 1211942938 /nfs/dbraw/zinc/94/29/38/1211942938.db2.gz LCVSXLWMSQTLOI-UHFFFAOYSA-N -1 3 374.401 0.706 10 0 FCAEHM CC1(C)NC(=O)N(CC(=O)OCc2noc(-c3ccccc3[O-])n2)C1=O ZINC000781583412 1221083797 /nfs/dbraw/zinc/08/37/97/1221083797.db2.gz INLBBQDLSIHBAZ-UHFFFAOYSA-N -1 3 360.326 0.816 10 0 FCAEHM Cn1cc(C(=O)OCc2noc(-c3ccccc3[O-])n2)c(=O)n(C)c1=O ZINC000783703482 1221215768 /nfs/dbraw/zinc/21/57/68/1221215768.db2.gz LHLGQPZXHXRSJG-UHFFFAOYSA-N -1 3 358.310 0.197 10 0 FCAEHM O=C(C(=O)N1C[C@H]2CC[C@@H](C1)O2)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001119013387 1221855686 /nfs/dbraw/zinc/85/56/86/1221855686.db2.gz JGFWQIDJMRBXJN-OKILXGFUSA-N -1 3 373.409 0.066 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])N1CC[C@@]2(CNC(=O)C2)C1 ZINC001139541352 1222552960 /nfs/dbraw/zinc/55/29/60/1222552960.db2.gz QANQREZCSHJVJC-GOSISDBHSA-N -1 3 372.356 0.226 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c([O-])cc1=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC001139541352 1222552965 /nfs/dbraw/zinc/55/29/65/1222552965.db2.gz QANQREZCSHJVJC-GOSISDBHSA-N -1 3 372.356 0.226 10 0 FCAEHM C[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCCCc2c[n-][nH]c2=O)C1=O ZINC001149262586 1222881361 /nfs/dbraw/zinc/88/13/61/1222881361.db2.gz MIPVBODUJSRPSB-KZULUSFZSA-N -1 3 371.397 0.082 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC001149264005 1222881463 /nfs/dbraw/zinc/88/14/63/1222881463.db2.gz YJMUZPFFNOHSIX-GJZGRUSLSA-N -1 3 357.414 0.562 10 0 FCAEHM Cn1[n-]c(CNC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccnc2)C2CC2)nc1=O ZINC001276665311 1223641207 /nfs/dbraw/zinc/64/12/07/1223641207.db2.gz MRJDBAKFOSCKDO-RRFJBIMHSA-N -1 3 356.430 0.292 10 0 FCAEHM COc1ccc(OC)c2c1CN(C(=O)c1cc(=O)[n-]c(N(C)C)n1)C[C@@H]2O ZINC000766001075 1245305279 /nfs/dbraw/zinc/30/52/79/1245305279.db2.gz OJBYWKRJNPUHIB-LBPRGKRZSA-N -1 3 374.397 0.955 10 0 FCAEHM O=C(CNC(=O)c1ccc([O-])cc1)OCC(=O)N1CCOC[C@H]1C1CC1 ZINC000766100629 1245306267 /nfs/dbraw/zinc/30/62/67/1245306267.db2.gz QHOOKNRQZFSOGO-HNNXBMFYSA-N -1 3 362.382 0.303 10 0 FCAEHM CC(C)Oc1cncc(NC(=O)C(=O)NCc2nc(C(F)(F)F)n[n-]2)n1 ZINC000847505752 1245341495 /nfs/dbraw/zinc/34/14/95/1245341495.db2.gz SYTKACHLTAOIEY-UHFFFAOYSA-N -1 3 373.295 0.656 10 0 FCAEHM CCN1CC[C@H]1CNC(=O)c1ccc(-n2[n-]c(CC(=O)OC)cc2=O)cc1 ZINC000922164072 1245663295 /nfs/dbraw/zinc/66/32/95/1245663295.db2.gz IHNYBXRYJXQTJN-INIZCTEOSA-N -1 3 372.425 0.705 10 0 FCAEHM COC(=O)CCN1CCC[C@H](OC(=O)CCc2c(C)nc[n-]c2=O)C1=O ZINC001327929060 1265456339 /nfs/dbraw/zinc/45/63/39/1265456339.db2.gz FXZCGIBIOMRULM-ZDUSSCGKSA-N -1 3 365.386 0.521 10 0 FCAEHM C[C@@H]1CCN(C(=O)c2cnc[n-]c2=O)[C@H](CNC(=O)C[C@@H]2CCOC2)C1 ZINC001515315506 1265500014 /nfs/dbraw/zinc/50/00/14/1265500014.db2.gz KQEITCAQJCSHFQ-RDBSUJKOSA-N -1 3 362.430 0.966 10 0 FCAEHM CCC1(C(=O)NCc2cc(=O)[n-]c(CNC(=O)[C@]34C[C@H]3COC4)n2)CC1 ZINC001519541667 1265729294 /nfs/dbraw/zinc/72/92/94/1265729294.db2.gz RKHVXQKBTDWHGI-VOJFVSQTSA-N -1 3 360.414 0.641 10 0 FCAEHM COC(=O)[C@@]1(N2CCN(C(=O)Cc3ccc([O-])c(F)c3)CC2)CCOC1 ZINC001329511540 1265772946 /nfs/dbraw/zinc/77/29/46/1265772946.db2.gz BNBVNKIZSFBGSY-GOSISDBHSA-N -1 3 366.389 0.550 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2cnc[n-]c2=O)CCN1C(=O)[C@@H](C)CCOC ZINC001519876025 1265791427 /nfs/dbraw/zinc/79/14/27/1265791427.db2.gz JWQUDFAUDAKTGF-FPMFFAJLSA-N -1 3 350.419 0.964 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)CCOCC(F)(F)F ZINC001519920245 1265802970 /nfs/dbraw/zinc/80/29/70/1265802970.db2.gz FSLCFKIKSYGYEV-GXSJLCMTSA-N -1 3 363.340 0.883 10 0 FCAEHM COC[C@@H](C)C(=O)N1CC[C@@H]2CN(C(=O)c3c(C)nc[n-]c3=O)C[C@@H]2C1 ZINC001520296573 1265900327 /nfs/dbraw/zinc/90/03/27/1265900327.db2.gz KMPAZWVMMLHQLL-BNOWGMLFSA-N -1 3 362.430 0.694 10 0 FCAEHM COC1(C(F)(F)F)CN(c2nnc(CCc3nnn[n-]3)n2CC2CC2)C1 ZINC001520537050 1265930801 /nfs/dbraw/zinc/93/08/01/1265930801.db2.gz TXGKBOHKZJNPKP-UHFFFAOYSA-N -1 3 372.355 0.754 10 0 FCAEHM COC1(C(F)(F)F)CN(c2nnc(CCc3nn[n-]n3)n2CC2CC2)C1 ZINC001520537050 1265930806 /nfs/dbraw/zinc/93/08/06/1265930806.db2.gz TXGKBOHKZJNPKP-UHFFFAOYSA-N -1 3 372.355 0.754 10 0 FCAEHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)CCCN1C(=O)CCC1=O ZINC001128099995 1259193463 /nfs/dbraw/zinc/19/34/63/1259193463.db2.gz OEEZQXTZBPKPID-UHFFFAOYSA-N -1 3 365.342 0.456 10 0 FCAEHM COC[C@H](C)C(=O)NCC[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1C ZINC001521981297 1266273534 /nfs/dbraw/zinc/27/35/34/1266273534.db2.gz JQYXGWVBYIAYEN-MBNYWOFBSA-N -1 3 364.446 0.988 10 0 FCAEHM COC[C@@H](C)C(=O)NCC[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1C ZINC001521981300 1266274110 /nfs/dbraw/zinc/27/41/10/1266274110.db2.gz JQYXGWVBYIAYEN-YRGRVCCFSA-N -1 3 364.446 0.988 10 0 FCAEHM COC[C@]1(C(=O)N2C[C@@H](c3cnn(C)c3)C[C@H](C(=O)[O-])C2)CCCCN1 ZINC001331846983 1266294901 /nfs/dbraw/zinc/29/49/01/1266294901.db2.gz ZLLBIEFXZQNANL-DEYYWGMASA-N -1 3 364.446 0.596 10 0 FCAEHM O=C(C[C@@H]1C[C@H]1C1CC1)N[C@H](CO)CNC(=O)c1cccc2n[n-]nc21 ZINC001337662618 1260451424 /nfs/dbraw/zinc/45/14/24/1260451424.db2.gz QAJSPBAWTROGNQ-OBJOEFQTSA-N -1 3 357.414 0.601 10 0 FCAEHM CC(C)C[C@@H]1C[C@H]1C(=O)NC1(CNCc2nc(=O)n(C)[n-]2)CCOCC1 ZINC001281266869 1261103010 /nfs/dbraw/zinc/10/30/10/1261103010.db2.gz SVQKHIKTMQQRGR-ZIAGYGMSSA-N -1 3 365.478 0.546 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](C)[C@H](NC(=O)CCc2c[nH]cn2)C1 ZINC001281771855 1261190404 /nfs/dbraw/zinc/19/04/04/1261190404.db2.gz MXIDUBPZTJYRKF-ZWNOBZJWSA-N -1 3 358.402 0.423 10 0 FCAEHM CC(=O)N(CC(=O)N1C[C@@H](C)[C@H](NC(=O)c2cn[n-]n2)C1)c1ccccc1 ZINC001281778692 1261192934 /nfs/dbraw/zinc/19/29/34/1261192934.db2.gz KSMAPYYGRADCCE-MLGOLLRUSA-N -1 3 370.413 0.435 10 0 FCAEHM CCC[C@@H](OCC)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1OC ZINC001281850588 1261232971 /nfs/dbraw/zinc/23/29/71/1261232971.db2.gz JXPDFOUJEHBWGB-MGPQQGTHSA-N -1 3 366.418 0.343 10 0 FCAEHM C[C@H](CC(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@@H]1O)n1ccnc1 ZINC001281889277 1261259760 /nfs/dbraw/zinc/25/97/60/1261259760.db2.gz CTCAPAFSOZBOCQ-XPKDYRNWSA-N -1 3 358.398 0.542 10 0 FCAEHM CCO[C@H](C)C(=O)N1C[C@@H](CNC(=O)c2cnc[n-]c2=O)[C@H](OCC)C1 ZINC001282169962 1261366470 /nfs/dbraw/zinc/36/64/70/1261366470.db2.gz HVJMAKGNDMTELH-YRGRVCCFSA-N -1 3 366.418 0.201 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccc(-n2ccnc2)nn1 ZINC001472253749 1261455238 /nfs/dbraw/zinc/45/52/38/1261455238.db2.gz XWBLXYKASSHMBG-LLVKDONJSA-N -1 3 352.358 0.167 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)c2cn(CCOC)c(C)cc2=O)[n-]1 ZINC001472545242 1261474204 /nfs/dbraw/zinc/47/42/04/1261474204.db2.gz IOCYWQSFEWIRKZ-UHFFFAOYSA-N -1 3 363.374 0.028 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ccn(C)n2)C[C@H]1CCNC(=O)c1cnc[n-]c1=O ZINC001282544790 1261519077 /nfs/dbraw/zinc/51/90/77/1261519077.db2.gz AESDQWGGZNQJID-VXGBXAGGSA-N -1 3 358.402 0.444 10 0 FCAEHM COC[C@H](OC)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)nc[n-]c1=O)C2 ZINC001282674502 1261579160 /nfs/dbraw/zinc/57/91/60/1261579160.db2.gz UEAKHKOESDMOBE-VOAKCMCISA-N -1 3 364.402 0.014 10 0 FCAEHM O=C(NCCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1cccc2n[n-]nc21 ZINC001283260746 1261673782 /nfs/dbraw/zinc/67/37/82/1261673782.db2.gz FDBSGTHHXZRWMN-APVFFNHTSA-N -1 3 355.398 0.617 10 0 FCAEHM Cn1nccc1[C@@H]1CCCN(c2nnc(-c3cc(=O)[n-]c(N)n3)n2C)C1 ZINC001345332360 1261674745 /nfs/dbraw/zinc/67/47/45/1261674745.db2.gz SYBCPQHYAZTQRB-SNVBAGLBSA-N -1 3 355.406 0.677 10 0 FCAEHM COC[C@H](OC)C(=O)N1CC[C@H](NC(=O)c2cccc3n[n-]nc32)[C@H]1C ZINC001345373853 1261688268 /nfs/dbraw/zinc/68/82/68/1261688268.db2.gz NOSXZNMMULYRBX-OSMZGAPFSA-N -1 3 361.402 0.339 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@H]1CCN(C(=O)c2cncnc2)[C@@H]1C ZINC001345478812 1261717620 /nfs/dbraw/zinc/71/76/20/1261717620.db2.gz FQMLOJCCKGUDIL-DOMZBBRYSA-N -1 3 370.413 0.633 10 0 FCAEHM C[C@@H](NC(=O)CC(C)(C)C)C(=O)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@H]1C ZINC001345478435 1261717750 /nfs/dbraw/zinc/71/77/50/1261717750.db2.gz CCQUREZJICKBMQ-UTUOFQBUSA-N -1 3 364.450 0.465 10 0 FCAEHM O=C(Nc1ccccc1)C(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1O ZINC001289124142 1262116767 /nfs/dbraw/zinc/11/67/67/1262116767.db2.gz AKKFTUZXNSSOFO-GDBMZVCRSA-N -1 3 369.377 0.332 10 0 FCAEHM CNC(=O)C1(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3ccccc3[O-])C2)CCC1 ZINC001289240644 1262153911 /nfs/dbraw/zinc/15/39/11/1262153911.db2.gz JFMKXVWBWMIACC-TZMCWYRMSA-N -1 3 359.426 0.885 10 0 FCAEHM O=C(CNC(=O)C1CCC1)N1CC[C@@H]2CN(C(=O)c3ccccc3[O-])[C@@H]2C1 ZINC001289760130 1262336354 /nfs/dbraw/zinc/33/63/54/1262336354.db2.gz GDMSYTORXFFYRY-GDBMZVCRSA-N -1 3 371.437 0.981 10 0 FCAEHM CC[C@@H](C)CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001290234631 1262407396 /nfs/dbraw/zinc/40/73/96/1262407396.db2.gz KRISCRFWPYFTOE-OSAQELSMSA-N -1 3 359.434 0.699 10 0 FCAEHM CCO[C@@H]1CN(C(=O)[C@H](C)COC)C[C@H]1CNC(=O)c1cnc[n-]c1=O ZINC001290252259 1262411236 /nfs/dbraw/zinc/41/12/36/1262411236.db2.gz VWCQZTFLYHLMIZ-YRGRVCCFSA-N -1 3 366.418 0.058 10 0 FCAEHM C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2cc(=O)[n-]cn2)C1=O ZINC001290299723 1262423617 /nfs/dbraw/zinc/42/36/17/1262423617.db2.gz ZTKHYUMANNIAGT-QGZVFWFLSA-N -1 3 355.354 0.770 10 0 FCAEHM O=C(Cc1cnoc1)NCc1nc(CNC(=O)[C@@H]2C[C@H]2C2CC2)cc(=O)[n-]1 ZINC001290364599 1262433468 /nfs/dbraw/zinc/43/34/68/1262433468.db2.gz UGYANLHVGLLVEY-UONOGXRCSA-N -1 3 371.397 0.691 10 0 FCAEHM C[C@H](CC(N)=O)C(=O)N1C[C@H]2CN(C(=O)c3ccccc3[O-])C[C@@]2(C)C1 ZINC001290842338 1262518765 /nfs/dbraw/zinc/51/87/65/1262518765.db2.gz GZGWAEPSFYWXEX-QHRIQVFBSA-N -1 3 359.426 0.824 10 0 FCAEHM O=C(Cn1cccn1)NC[C@]12CCC[C@H]1N(C(=O)c1cnc[n-]c1=O)CC2 ZINC001291707727 1262580353 /nfs/dbraw/zinc/58/03/53/1262580353.db2.gz YDTSHKCIBZSXER-RDTXWAMCSA-N -1 3 370.413 0.580 10 0 FCAEHM CC(=O)N[C@](C)(C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn[n-]n1)C2)C(C)C ZINC001292152736 1262657018 /nfs/dbraw/zinc/65/70/18/1262657018.db2.gz PBGVDTXLDVFFSW-WOKLECCJSA-N -1 3 362.434 0.217 10 0 FCAEHM CCN(CCCNC(=O)c1cnc[n-]c1=O)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001294478117 1262734191 /nfs/dbraw/zinc/73/41/91/1262734191.db2.gz WEQREQIHNRGDSO-NEPJUHHUSA-N -1 3 363.418 0.052 10 0 FCAEHM C[C@@H](CNC(=O)c1c[n-]c2ccccc2c1=O)NC(=O)[C@]12C[C@H]1COC2 ZINC001295557111 1262771155 /nfs/dbraw/zinc/77/11/55/1262771155.db2.gz XCQLZIAMUIIQOT-ZKTNFTSUSA-N -1 3 355.394 0.799 10 0 FCAEHM O=C(N[C@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1ccccc1)c1cn[n-]n1 ZINC001296758771 1262834791 /nfs/dbraw/zinc/83/47/91/1262834791.db2.gz BXFPMNMYUAOTCX-KQTLUZQSSA-N -1 3 355.398 0.960 10 0 FCAEHM CC[C@H](CNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)NC(=O)[C@]12C[C@H]1COC2 ZINC001297458713 1262870390 /nfs/dbraw/zinc/87/03/90/1262870390.db2.gz XLNPXXZAAXCKJD-CRTZDJKQSA-N -1 3 371.393 0.231 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001297765951 1262892740 /nfs/dbraw/zinc/89/27/40/1262892740.db2.gz MXBMUFGFLSPVHK-MVWJERBFSA-N -1 3 358.402 0.500 10 0 FCAEHM CC(C)[C@H](CNC(=O)c1cnc[n-]c1=O)NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001297986035 1262903357 /nfs/dbraw/zinc/90/33/57/1262903357.db2.gz RDXNVZCGJSPSMY-NZBPQXDJSA-N -1 3 362.430 0.868 10 0 FCAEHM O=C(C[C@@H]1C[C@H]1C1CC1)NC[C@H](O)CNC(=O)c1cccc2n[n-]nc21 ZINC001298184480 1262914345 /nfs/dbraw/zinc/91/43/45/1262914345.db2.gz GGAQKZUCMLXYPS-OBJOEFQTSA-N -1 3 357.414 0.601 10 0 FCAEHM Cc1nc([C@H]2CCN(C(=O)N[C@H]3CCN(c4cc(=O)[n-]cn4)C3)C2)no1 ZINC001479506506 1263233175 /nfs/dbraw/zinc/23/31/75/1263233175.db2.gz FAAGHTXQAJLELG-RYUDHWBXSA-N -1 3 359.390 0.651 10 0 FCAEHM NC(=O)[C@]12CCC[C@H]1CN(C(=O)N[C@@H]1CCN(c3cc(=O)[n-]cn3)C1)C2 ZINC001479511061 1263235122 /nfs/dbraw/zinc/23/51/22/1263235122.db2.gz XNNQLFCSDUMAPS-JKDFXYPNSA-N -1 3 360.418 0.058 10 0 FCAEHM COc1ccncc1CC(=O)NC[C@H]1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001316652709 1263399466 /nfs/dbraw/zinc/39/94/66/1263399466.db2.gz BGSYOZRLMSXAHC-WCQYABFASA-N -1 3 360.418 0.531 10 0 FCAEHM CC[C@@H](C)NC(=O)CN1CC[C@H](NC(=O)c2c(C)nc[n-]c2=O)[C@H]1CC ZINC001316737191 1263443621 /nfs/dbraw/zinc/44/36/21/1263443621.db2.gz VKOLGAYBAHCIRK-KWCYVHTRSA-N -1 3 363.462 0.988 10 0 FCAEHM CCNC(=O)CN1CC[C@H](NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)[C@H]1C ZINC001316788354 1263478299 /nfs/dbraw/zinc/47/82/99/1263478299.db2.gz QZQFHBXWXZLQGC-OLZOCXBDSA-N -1 3 363.462 0.943 10 0 FCAEHM CC[C@H](CC(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1O)C(C)C ZINC001489381451 1263609309 /nfs/dbraw/zinc/60/93/09/1263609309.db2.gz LVSGVBNVVQEYEP-MRVWCRGKSA-N -1 3 350.419 0.556 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)NCCC1CCN(Cc2nc(=O)n(C)[n-]2)CC1 ZINC001495522840 1263823459 /nfs/dbraw/zinc/82/34/59/1263823459.db2.gz KYJJNGPNFIHQGL-CABCVRRESA-N -1 3 365.478 0.642 10 0 FCAEHM COc1ccc([C@@H]2C[C@H]2C(=O)NC/C=C\CNCc2nc(=O)n(C)[n-]2)cc1 ZINC001497695585 1263948848 /nfs/dbraw/zinc/94/88/48/1263948848.db2.gz BMTNGTODIHOHND-MYIWKSEUSA-N -1 3 371.441 0.683 10 0 FCAEHM CN1C(=O)C[C@@H](C(=O)N2CCc3nc[n-]c(=O)c3C2)[C@H]1c1cccnc1 ZINC001321542060 1263988816 /nfs/dbraw/zinc/98/88/16/1263988816.db2.gz IAIZPVQPTNFWIR-MLGOLLRUSA-N -1 3 353.382 0.682 10 0 FCAEHM Cn1[n-]c(CNC[C@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C(C)(C)C)nc1=O ZINC001507984860 1264391430 /nfs/dbraw/zinc/39/14/30/1264391430.db2.gz PIASRASUYVPKDQ-PWNZVWSESA-N -1 3 365.478 0.544 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H](C)CN(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001510683829 1264509120 /nfs/dbraw/zinc/50/91/20/1264509120.db2.gz FGDYROYQKINVNP-GZCFXPHUSA-N -1 3 362.430 0.882 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001511592215 1264564903 /nfs/dbraw/zinc/56/49/03/1264564903.db2.gz GCWWXFRXONAUHQ-MELADBBJSA-N -1 3 362.430 0.476 10 0 FCAEHM CO[C@H](C)CCC(=O)N1CC[C@H]2CN(C(=O)c3c(C)nc[n-]c3=O)C[C@H]21 ZINC001512796946 1264659073 /nfs/dbraw/zinc/65/90/73/1264659073.db2.gz AEYWCGCSCOSOFW-KWCYVHTRSA-N -1 3 362.430 0.979 10 0 FCAEHM CCCCCC[C@@H](F)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001512982961 1264793357 /nfs/dbraw/zinc/79/33/57/1264793357.db2.gz CZMVAJYJWMNVIU-MGPQQGTHSA-N -1 3 368.409 0.792 10 0 FCAEHM CCOCCO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001513221153 1264971740 /nfs/dbraw/zinc/97/17/40/1264971740.db2.gz BIEVYYYMARQGJS-MBNYWOFBSA-N -1 3 366.418 0.201 10 0 FCAEHM CO[C@@H]1CN(C(=O)CSC(C)C)C[C@H]1NC(=O)c1c(C)nc[n-]c1=O ZINC001513411051 1265108555 /nfs/dbraw/zinc/10/85/55/1265108555.db2.gz QFMJLWZNTRBVCY-VXGBXAGGSA-N -1 3 368.459 0.588 10 0 FCAEHM CO[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC001514274941 1265334996 /nfs/dbraw/zinc/33/49/96/1265334996.db2.gz RUMINGVMBGXSAP-KCPJHIHWSA-N -1 3 364.446 0.920 10 0 FCAEHM C[C@@H](CNC(=O)N1CCc2occc2[C@@H]1C(=O)[O-])CN1CCN(C)CC1 ZINC001332595101 1266436414 /nfs/dbraw/zinc/43/64/14/1266436414.db2.gz CCJLRYDQYYYIEQ-XJKSGUPXSA-N -1 3 364.446 0.857 10 0 FCAEHM CCc1noc(CCCC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cn[n-]n2)C3)n1 ZINC001522301264 1266478550 /nfs/dbraw/zinc/47/85/50/1266478550.db2.gz RQFPRXRRIKFIJY-WZRBSPASSA-N -1 3 373.417 0.635 10 0 FCAEHM O=C(NCCCNC(=O)[C@@H]1CCO[C@H]1c1ccncc1)c1cnc[n-]c1=O ZINC001522925919 1266590722 /nfs/dbraw/zinc/59/07/22/1266590722.db2.gz ATFMXUALPWCBHV-HIFRSBDPSA-N -1 3 371.397 0.591 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@H]1C[C@H](NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001525071200 1266738462 /nfs/dbraw/zinc/73/84/62/1266738462.db2.gz KTIHSNRHEHPKDF-RSLFNQERSA-N -1 3 360.414 0.223 10 0 FCAEHM O=c1o[n-]cc1-c1nnc(N2CCN(C3CC3)CC2)n1C[C@@H]1CCOC1 ZINC001526112223 1266782812 /nfs/dbraw/zinc/78/28/12/1266782812.db2.gz ZDPQAEJGDYFMTI-LBPRGKRZSA-N -1 3 360.418 0.960 10 0 FCAEHM CO[C@@H]1CCN(c2nnc(-c3nnc(Cl)[n-]3)n2C[C@H]2CCOC2)C1 ZINC001526305472 1266799839 /nfs/dbraw/zinc/79/98/39/1266799839.db2.gz UYANWZRZSRGRAV-NXEZZACHSA-N -1 3 353.814 0.978 10 0 FCAEHM CO[C@@H]1CCN(c2nnc(-c3n[n-]c(Cl)n3)n2C[C@H]2CCOC2)C1 ZINC001526305472 1266799845 /nfs/dbraw/zinc/79/98/45/1266799845.db2.gz UYANWZRZSRGRAV-NXEZZACHSA-N -1 3 353.814 0.978 10 0 FCAEHM CC[C@H](C(=O)N1CCC(Cc2nnn[n-]2)CC1)N1CCO[C@H](CC)C1 ZINC001528797802 1266996977 /nfs/dbraw/zinc/99/69/77/1266996977.db2.gz CRJHSJTXJDGLSJ-HUUCEWRRSA-N -1 3 350.467 0.870 10 0 FCAEHM CC[C@H](C(=O)N1CCC(Cc2nn[n-]n2)CC1)N1CCO[C@H](CC)C1 ZINC001528797802 1266996986 /nfs/dbraw/zinc/99/69/86/1266996986.db2.gz CRJHSJTXJDGLSJ-HUUCEWRRSA-N -1 3 350.467 0.870 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CC[C@@H]1[C@H]1CCCOC1 ZINC001529370842 1267057994 /nfs/dbraw/zinc/05/79/94/1267057994.db2.gz ZRLKEVNKTPWHOB-GXSJLCMTSA-N -1 3 372.219 0.739 10 0 FCAEHM COC[C@@H](NC(=O)C(=O)NCc1ccc([O-])c(F)c1)[C@H]1CCCOC1 ZINC001334708044 1267146438 /nfs/dbraw/zinc/14/64/38/1267146438.db2.gz UWWPGWPADJDNTF-GXTWGEPZSA-N -1 3 354.378 0.705 10 0 FCAEHM O=C(NCc1nc(C(F)(F)F)n[n-]1)C(=O)NC[C@@H]1C[C@H]1C(F)(F)F ZINC001334953049 1267245797 /nfs/dbraw/zinc/24/57/97/1267245797.db2.gz XTPXASOHFWUYTM-CRCLSJGQSA-N -1 3 359.230 0.754 10 0 FCAEHM Cc1cc(C(=O)[N-]c2c(F)ccnc2F)nc2c1c(=O)n(C)c(=O)n2C ZINC001534631310 1267267139 /nfs/dbraw/zinc/26/71/39/1267267139.db2.gz DOPZVIWUJZVRON-UHFFFAOYSA-N -1 3 361.308 0.866 10 0 FCAEHM C[C@]1(CNC(=O)c2cnc[n-]c2=O)CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001537091480 1267354580 /nfs/dbraw/zinc/35/45/80/1267354580.db2.gz SJHCPFYFKAPLHR-LSIMKLPESA-N -1 3 360.414 0.718 10 0 FCAEHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)[C@]1(F)CCS(=O)(=O)C1 ZINC001537579940 1267375687 /nfs/dbraw/zinc/37/56/87/1267375687.db2.gz VRADTQUXVWYYQI-ZDUSSCGKSA-N -1 3 362.335 0.053 10 0 FCAEHM CN(CCc1nccc(C(F)(F)F)n1)C(=O)c1[nH]c(=O)[n-]c(=O)c1N ZINC001539622724 1267432771 /nfs/dbraw/zinc/43/27/71/1267432771.db2.gz SGQBVOUEMSVHCI-UHFFFAOYSA-N -1 3 358.280 0.594 10 0 FCAEHM O=C(Cn1c(=O)[n-][nH]c1=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC001540512162 1267450062 /nfs/dbraw/zinc/45/00/62/1267450062.db2.gz MLAQAYRYWYNQLG-UHFFFAOYSA-N -1 3 374.445 0.013 10 0 FCAEHM O=C(CCCn1c(=O)[n-][nH]c1=O)N1CCCN(C[C@H]2CCCO2)CC1 ZINC001544021817 1267567023 /nfs/dbraw/zinc/56/70/23/1267567023.db2.gz RRMLFTSSPBLOIZ-CYBMUJFWSA-N -1 3 353.423 0.183 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N(C)C[C@H](O)CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001338584534 1267995377 /nfs/dbraw/zinc/99/53/77/1267995377.db2.gz DOUIBOIWZMXMPF-MGPQQGTHSA-N -1 3 364.446 0.722 10 0 FCAEHM CC(C)C[C@@H]1C[C@H]1C(=O)N(C)C[C@@H](O)CN(C)C(=O)c1cnc[n-]c1=O ZINC001338665232 1268031079 /nfs/dbraw/zinc/03/10/79/1268031079.db2.gz LUZHIOBJCJGZQQ-MGPQQGTHSA-N -1 3 364.446 0.756 10 0 FCAEHM CC(C)N(CCN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(=O)c1cnc[n-]c1=O ZINC001338760311 1268078089 /nfs/dbraw/zinc/07/80/89/1268078089.db2.gz MSGKGFFHVIYREI-WALBABNVSA-N -1 3 374.441 0.915 10 0 FCAEHM CCO[C@H](CC)C(=O)N1CC[C@H]2CN(C(=O)c3c(C)nc[n-]c3=O)C[C@H]21 ZINC001340930603 1268714355 /nfs/dbraw/zinc/71/43/55/1268714355.db2.gz UEVZUFGUSRDDJF-BFHYXJOUSA-N -1 3 362.430 0.979 10 0 FCAEHM O=C(N[C@H](CO)C(=O)NCCCc1cc(=O)[nH][n-]1)OCc1ccccc1 ZINC001556867971 1268900592 /nfs/dbraw/zinc/90/05/92/1268900592.db2.gz GJYKTAHIHUOLJW-CQSZACIVSA-N -1 3 362.386 0.046 10 0 FCAEHM Cc1c(NC(=O)C[C@@H](C)[N-]S(=O)(=O)c2cccnc2Cl)nnn1C ZINC001557011334 1268918066 /nfs/dbraw/zinc/91/80/66/1268918066.db2.gz ZRJQZXREDAPQHW-MRVPVSSYSA-N -1 3 372.838 0.868 10 0 FCAEHM O=C(c1ccc(C[C@H]2CC(=O)NC2=O)cc1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001557317075 1268942253 /nfs/dbraw/zinc/94/22/53/1268942253.db2.gz BGKJPRXPPAFQLX-KGLIPLIRSA-N -1 3 368.393 0.950 10 0 FCAEHM CN(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)o1 ZINC001557316870 1268942291 /nfs/dbraw/zinc/94/22/91/1268942291.db2.gz PBIDLCKFXAKNNI-VIFPVBQESA-N -1 3 354.388 0.588 10 0 FCAEHM NC(=O)[C@H]1CCCN(c2ccc(C(=O)NCCCc3c[n-][nH]c3=O)cc2)C1 ZINC001557701207 1268967897 /nfs/dbraw/zinc/96/78/97/1268967897.db2.gz GWWHDOZWCCRFEW-CABCVRRESA-N -1 3 371.441 0.630 10 0 FCAEHM CCc1ccc([O-])c(C(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)OC)c1 ZINC001557886636 1268984230 /nfs/dbraw/zinc/98/42/30/1268984230.db2.gz SXFIJLNNSRTDRC-GFCCVEGCSA-N -1 3 355.412 0.757 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)c1 ZINC001557895578 1268984684 /nfs/dbraw/zinc/98/46/84/1268984684.db2.gz IYARTCDIANLAEN-QZTJIDSGSA-N -1 3 357.366 0.642 10 0 FCAEHM Cc1nccnc1[C@@H](C)NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC001558223806 1269056368 /nfs/dbraw/zinc/05/63/68/1269056368.db2.gz YEPYKSAXPGDLAJ-MRVPVSSYSA-N -1 3 368.191 0.687 10 0 FCAEHM Cc1c(C(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)nnn1-c1ccn(C)n1 ZINC001558574727 1269115654 /nfs/dbraw/zinc/11/56/54/1269115654.db2.gz MPTQUHKRHAPONW-ZCFIWIBFSA-N -1 3 369.311 0.937 10 0 FCAEHM COC(=O)c1cccn(CC(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)c1=O ZINC001558576013 1269116189 /nfs/dbraw/zinc/11/61/89/1269116189.db2.gz XTRNLOZYNLQNEW-SSDOTTSWSA-N -1 3 373.291 0.649 10 0 FCAEHM C[C@@]12CSC[C@@H]1CN(C(=O)Cn1cc(Br)c(=O)[n-]c1=O)C2 ZINC001558700629 1269132335 /nfs/dbraw/zinc/13/23/35/1269132335.db2.gz ONXWBGIZSXXXPB-ISVAXAHUSA-N -1 3 374.260 0.923 10 0 FCAEHM CC(=O)NCc1ccc(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1 ZINC001558698329 1269132822 /nfs/dbraw/zinc/13/28/22/1269132822.db2.gz WNDLPKMMDXYKEZ-HNNXBMFYSA-N -1 3 355.398 0.827 10 0 FCAEHM CNC(=O)[C@H]1CCN(Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[n-]2)C1 ZINC001559925877 1269181430 /nfs/dbraw/zinc/18/14/30/1269181430.db2.gz DJGMNCMUOBWFFJ-VIFPVBQESA-N -1 3 364.427 0.648 10 0 FCAEHM CNC(=O)[C@@H](NC(=O)CN1CCC(Cc2nnn[n-]2)CC1)c1ccccc1 ZINC001560114104 1269187805 /nfs/dbraw/zinc/18/78/05/1269187805.db2.gz CQMYYBPJWBNUHS-KRWDZBQOSA-N -1 3 371.445 0.058 10 0 FCAEHM CNC(=O)[C@@H](NC(=O)CN1CCC(Cc2nn[n-]n2)CC1)c1ccccc1 ZINC001560114104 1269187809 /nfs/dbraw/zinc/18/78/09/1269187809.db2.gz CQMYYBPJWBNUHS-KRWDZBQOSA-N -1 3 371.445 0.058 10 0 FCAEHM CC(C)CO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001342346393 1269437258 /nfs/dbraw/zinc/43/72/58/1269437258.db2.gz QMFLAOOBICHFOX-MBNYWOFBSA-N -1 3 350.419 0.820 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)Cc1ccccc1NS(C)(=O)=O ZINC001565611470 1269481588 /nfs/dbraw/zinc/48/15/88/1269481588.db2.gz GVZLIMJNBOPAPO-GFCCVEGCSA-N -1 3 352.416 0.229 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC001565612708 1269482725 /nfs/dbraw/zinc/48/27/25/1269482725.db2.gz ZJAKZKNRQXGOGE-VXGBXAGGSA-N -1 3 365.411 0.240 10 0 FCAEHM CCO[C@@H]1CN(C(=O)[C@H](C)CSC)C[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001565945719 1269527587 /nfs/dbraw/zinc/52/75/87/1269527587.db2.gz SGXRHANNBFTNCM-IJLUTSLNSA-N -1 3 357.480 0.463 10 0 FCAEHM CNC(=O)[C@H]1CCC[C@@H]1NC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001566461547 1269645969 /nfs/dbraw/zinc/64/59/69/1269645969.db2.gz ALALWCRYEDGFKN-STQMWFEESA-N -1 3 374.372 0.518 10 0 FCAEHM CNC(=O)[C@H]1CCC[C@@H]1NC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001566461547 1269645977 /nfs/dbraw/zinc/64/59/77/1269645977.db2.gz ALALWCRYEDGFKN-STQMWFEESA-N -1 3 374.372 0.518 10 0 FCAEHM CCOC(=O)c1cc(NC(=O)[C@H]2CCC(=O)N(c3cnn(C)c3)C2)[n-]n1 ZINC001567160389 1269679368 /nfs/dbraw/zinc/67/93/68/1269679368.db2.gz QISSLJUQXQFEQQ-JTQLQIEISA-N -1 3 360.374 0.702 10 0 FCAEHM CCOC(=O)c1cc(NC(=O)[C@H]2CCC(=O)N(c3cnn(C)c3)C2)n[n-]1 ZINC001567160389 1269679372 /nfs/dbraw/zinc/67/93/72/1269679372.db2.gz QISSLJUQXQFEQQ-JTQLQIEISA-N -1 3 360.374 0.702 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)NCCC[C@@H]1CCCN1Cc1nc(=O)n(C)[n-]1 ZINC001567254781 1269684060 /nfs/dbraw/zinc/68/40/60/1269684060.db2.gz MFTKBSIIYFLAAH-FMKPAKJESA-N -1 3 365.478 0.784 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CN(C(=O)C[C@H](C)C(C)(C)C)C[C@@H]1O ZINC001343650743 1269973503 /nfs/dbraw/zinc/97/35/03/1269973503.db2.gz PDAMEALAELNWNP-UHTWSYAYSA-N -1 3 364.446 0.864 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](NC(=O)C2(C(C)(F)F)CC2)[C@@H](O)C1 ZINC001343742758 1269998749 /nfs/dbraw/zinc/99/87/49/1269998749.db2.gz YRORFKFGXFYBHL-ZJUUUORDSA-N -1 3 370.356 0.228 10 0 FCAEHM CCCCOCC(=O)N1C[C@H]2CCN(C(=O)c3c(C)nc[n-]c3=O)C[C@H]21 ZINC001343826130 1270024018 /nfs/dbraw/zinc/02/40/18/1270024018.db2.gz SGRWRJNVCGHLOJ-ZIAGYGMSSA-N -1 3 362.430 0.980 10 0 FCAEHM O=C(NC[C@@H](CO)NC(=O)[C@]12C[C@H]1CCC2)c1nnc2ccccc2c1[O-] ZINC001572358314 1270055148 /nfs/dbraw/zinc/05/51/48/1270055148.db2.gz VRIJUABNIKOFJB-UYSIFFEZSA-N -1 3 370.409 0.733 10 0 FCAEHM Cc1ccn(C[C@@H](C)C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2cn[n-]n2)n1 ZINC001344114818 1270100393 /nfs/dbraw/zinc/10/03/93/1270100393.db2.gz VYEKYCGZKIBBTM-MRVWCRGKSA-N -1 3 359.434 0.803 10 0 FCAEHM CCN(C(=O)c1c(C)nc[n-]c1=O)[C@H](C)CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001572676194 1270106422 /nfs/dbraw/zinc/10/64/22/1270106422.db2.gz FRRNUPALZFNMSB-KTUBUYFOSA-N -1 3 374.441 0.881 10 0 FCAEHM COCCOCC(=O)N1CC[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@@H]2C1 ZINC001345003663 1270296211 /nfs/dbraw/zinc/29/62/11/1270296211.db2.gz NYHDJTRVMYZSFD-CABCVRRESA-N -1 3 362.426 0.976 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@H]1CC[C@@H](NC(=O)CC2(O)CCC2)C1 ZINC001573192697 1270651993 /nfs/dbraw/zinc/65/19/93/1270651993.db2.gz PSALXSLHSKGQFN-QWHCGFSZSA-N -1 3 362.430 0.810 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@]2(C)CCOC2)C1 ZINC001573194417 1270654671 /nfs/dbraw/zinc/65/46/71/1270654671.db2.gz GRRAEHAMBBSCNO-JCGVRSQUSA-N -1 3 362.430 0.932 10 0 FCAEHM CCCCC(=O)NCc1nc(CNC(=O)[C@H]2OCCO[C@H]2C)cc(=O)[n-]1 ZINC001573247545 1270708613 /nfs/dbraw/zinc/70/86/13/1270708613.db2.gz HQPKKNARIKCLCL-ZBEGNZNMSA-N -1 3 366.418 0.409 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)CN(C)C(=O)C(C)C ZINC001573275768 1270732706 /nfs/dbraw/zinc/73/27/06/1270732706.db2.gz JOPOGFANUYSLFB-WCQYABFASA-N -1 3 350.423 0.028 10 0 FCAEHM COCCOCCC(=O)N[C@H]1CCN(C(=O)c2c(C)nc[n-]c2=O)[C@@H]1C ZINC001573529174 1270815017 /nfs/dbraw/zinc/81/50/17/1270815017.db2.gz QOLVLDZYOVLQPB-OLZOCXBDSA-N -1 3 366.418 0.263 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](CNC(=O)Cc2ccc[nH]2)[C@H](C)C1 ZINC001573845672 1270903018 /nfs/dbraw/zinc/90/30/18/1270903018.db2.gz HUVGRNBMWYMHGP-DGCLKSJQSA-N -1 3 357.414 0.886 10 0 FCAEHM CCO[C@H](C(=O)N1C[C@@H](CNC(=O)c2cnc[n-]c2=O)[C@H](C)C1)C1CC1 ZINC001573858002 1270910231 /nfs/dbraw/zinc/91/02/31/1270910231.db2.gz PIVJEMHHBPVPMM-KYOSRNDESA-N -1 3 362.430 0.822 10 0 FCAEHM CO[C@H](C)C(=O)NCC[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1C ZINC001573945973 1270952290 /nfs/dbraw/zinc/95/22/90/1270952290.db2.gz KSRRSQVQPGSTSA-RAIGVLPGSA-N -1 3 350.419 0.740 10 0 FCAEHM C[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O)n1ccnc1 ZINC001574246766 1271116890 /nfs/dbraw/zinc/11/68/90/1271116890.db2.gz WDCRCFMBCAKTAC-UXOAXIEHSA-N -1 3 370.413 0.892 10 0 FCAEHM NC(=O)CCCCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc[n-]c1=O)C2 ZINC001574495884 1271294440 /nfs/dbraw/zinc/29/44/40/1271294440.db2.gz ODUAELRHCDTTQC-RTXFEEFZSA-N -1 3 361.402 0.090 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnco1 ZINC001574514810 1271298335 /nfs/dbraw/zinc/29/83/35/1271298335.db2.gz UQNGZCBJFRVVQV-BNOWGMLFSA-N -1 3 371.397 0.973 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)COCC(F)F ZINC001574561891 1271359818 /nfs/dbraw/zinc/35/98/18/1271359818.db2.gz GXNBFTXUZAKMSC-MXWKQRLJSA-N -1 3 370.356 0.634 10 0 FCAEHM NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H](CNC(=O)c2ccccc2[O-])C2CC2)C1 ZINC001578116567 1275418562 /nfs/dbraw/zinc/41/85/62/1275418562.db2.gz FKKKRTCRMVXFHR-VNHYZAJKSA-N -1 3 359.426 0.918 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H](C)CNC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC001579588865 1277620059 /nfs/dbraw/zinc/62/00/59/1277620059.db2.gz MWILYPHDQQJXKZ-WNMQOVRZSA-N -1 3 364.446 0.778 10 0 FCAEHM O=C(C[C@@H]1CCCS(=O)(=O)C1)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001603292544 1287347864 /nfs/dbraw/zinc/34/78/64/1287347864.db2.gz QWPUHTPRQUPDOF-RYUDHWBXSA-N -1 3 354.432 0.092 10 0 FCAEHM COC(=O)COc1cccc(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)c1 ZINC001603292838 1287348040 /nfs/dbraw/zinc/34/80/40/1287348040.db2.gz TWHVKDBSOAJIKI-ZDUSSCGKSA-N -1 3 372.381 0.743 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)N[C@H](CNCc1nc(=O)n(C)[n-]1)C(C)(C)C ZINC001717964583 1287451390 /nfs/dbraw/zinc/45/13/90/1287451390.db2.gz ZEGUSSABQWAFPN-FRRDWIJNSA-N -1 3 353.467 0.544 10 0 FCAEHM C[C@@H](CNC(=O)c1cnc[n-]c1=O)N(C)C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001718172930 1287468324 /nfs/dbraw/zinc/46/83/24/1287468324.db2.gz LDXXGRMHWYKLOQ-FPMFFAJLSA-N -1 3 355.398 0.958 10 0 FCAEHM CN(C(=O)c1cnc[n-]c1=O)[C@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1CC1 ZINC001718510925 1287512897 /nfs/dbraw/zinc/51/28/97/1287512897.db2.gz AICHNMCGLAUDEW-GBOPCIDUSA-N -1 3 360.414 0.717 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@](C)(CNC(=O)[C@]12C[C@H]1COC2)C1CC1 ZINC001582656772 1281846675 /nfs/dbraw/zinc/84/66/75/1281846675.db2.gz UHNWQSPHINMBIL-IGNZVWTISA-N -1 3 360.414 0.542 10 0 FCAEHM C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001583359110 1282082436 /nfs/dbraw/zinc/08/24/36/1282082436.db2.gz XUYRLSSHGJTZKX-WBIUFABUSA-N -1 3 350.419 0.487 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCN(c3n[nH]c(C)n3)CC2)c1 ZINC001631806693 1282114553 /nfs/dbraw/zinc/11/45/53/1282114553.db2.gz XGGZQEMOYMZLJE-UHFFFAOYSA-N -1 3 356.386 0.906 10 0 FCAEHM CC(C)(C)C(=O)NCC(=O)OCCC(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001631832673 1282121014 /nfs/dbraw/zinc/12/10/14/1282121014.db2.gz PUWKXIFSLOUCGZ-LLVKDONJSA-N -1 3 366.418 0.527 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)COC1CN(C(=O)OC(C)(C)C)C1 ZINC001585158146 1282207147 /nfs/dbraw/zinc/20/71/47/1282207147.db2.gz PGLVWFXWDNXZPQ-GFCCVEGCSA-N -1 3 354.407 0.251 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H]1[C@H]2C[C@H]2CN1C(=O)OC(C)(C)C ZINC001585162939 1282207231 /nfs/dbraw/zinc/20/72/31/1282207231.db2.gz BGQBATXWAWTURS-ZDEQEGDKSA-N -1 3 350.419 0.870 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)N[C@H]1C[C@@H](CO)C1 ZINC001633445584 1282245200 /nfs/dbraw/zinc/24/52/00/1282245200.db2.gz IUEAYZUTNFATGA-DTORHVGOSA-N -1 3 367.880 0.750 10 0 FCAEHM COc1ccc(C(=O)NCC(=O)NCCCc2c[n-][nH]c2=O)cc1OC ZINC001585934033 1282256986 /nfs/dbraw/zinc/25/69/86/1282256986.db2.gz QXDWOTCDJCJIMA-GFCCVEGCSA-N -1 3 362.386 0.062 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)c1nccn2c(Br)cnc12 ZINC001585938314 1282258419 /nfs/dbraw/zinc/25/84/19/1282258419.db2.gz WIONZWUAKHBZNE-MRVPVSSYSA-N -1 3 365.191 0.734 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NC2CC(NS(C)(=O)=O)C2)c1 ZINC001633652004 1282262170 /nfs/dbraw/zinc/26/21/70/1282262170.db2.gz BNTQWEDILOVRCB-UHFFFAOYSA-N -1 3 353.400 0.327 10 0 FCAEHM O=C(CCNS(=O)(=O)c1ccccc1F)NCCCc1c[n-][nH]c1=O ZINC001634138418 1282303166 /nfs/dbraw/zinc/30/31/66/1282303166.db2.gz CZXLEGOURUGEBF-NSHDSACASA-N -1 3 370.406 0.122 10 0 FCAEHM C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NCCCc1c[n-][nH]c1=O ZINC001634143052 1282303638 /nfs/dbraw/zinc/30/36/38/1282303638.db2.gz CMTGBZPZMBZPCG-VXGBXAGGSA-N -1 3 369.418 0.864 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)C2([C@@H]3CCCCO3)CCOCC2)n[n-]1 ZINC001634253728 1282313651 /nfs/dbraw/zinc/31/36/51/1282313651.db2.gz OWOXHKXYROUHNV-NSHDSACASA-N -1 3 352.391 0.825 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)C2([C@H]3CCCCO3)CCOCC2)n[n-]1 ZINC001634253727 1282313860 /nfs/dbraw/zinc/31/38/60/1282313860.db2.gz OWOXHKXYROUHNV-LLVKDONJSA-N -1 3 352.391 0.825 10 0 FCAEHM COCCOc1cncc(C(=O)N[C@H]2CCN(c3nc(C)cc(=O)[n-]3)C2)c1 ZINC001634683189 1282345936 /nfs/dbraw/zinc/34/59/36/1282345936.db2.gz IVIUDDYEWNGRDA-AWEZNQCLSA-N -1 3 373.413 0.920 10 0 FCAEHM COc1cc(C(=O)NCC2(S(=O)(=O)N(C)C)CC2)cc(OC)c1[O-] ZINC001634914492 1282364181 /nfs/dbraw/zinc/36/41/81/1282364181.db2.gz JQYAWLGTOZWGFM-UHFFFAOYSA-N -1 3 358.416 0.563 10 0 FCAEHM C[C@H](NC(=O)[C@]1(C)CCCS1(=O)=O)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001635007941 1282372177 /nfs/dbraw/zinc/37/21/77/1282372177.db2.gz ZAHRDNRSUVXXCI-MMPTUQATSA-N -1 3 369.443 0.834 10 0 FCAEHM C[C@H](NC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)C1(S(C)(=O)=O)CC1 ZINC001635135510 1282383314 /nfs/dbraw/zinc/38/33/14/1282383314.db2.gz PMPNDKWZITZDDU-WDEREUQCSA-N -1 3 369.447 0.026 10 0 FCAEHM COCCNC(=O)c1cccc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)c1 ZINC001635237677 1282388490 /nfs/dbraw/zinc/38/84/90/1282388490.db2.gz IEVNNDHMVACNOW-UHFFFAOYSA-N -1 3 367.369 0.890 10 0 FCAEHM COCCNC(=O)c1cccc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC001635237677 1282388496 /nfs/dbraw/zinc/38/84/96/1282388496.db2.gz IEVNNDHMVACNOW-UHFFFAOYSA-N -1 3 367.369 0.890 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(C(=O)CCc3cnn(C)n3)CC2)n[n-]1 ZINC001635468297 1282408159 /nfs/dbraw/zinc/40/81/59/1282408159.db2.gz LIWBTTJTOUQGIL-UHFFFAOYSA-N -1 3 361.406 0.449 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(C(=O)CCc3cnn(C)n3)CC2)[n-]1 ZINC001635468297 1282408162 /nfs/dbraw/zinc/40/81/62/1282408162.db2.gz LIWBTTJTOUQGIL-UHFFFAOYSA-N -1 3 361.406 0.449 10 0 FCAEHM O=C(Cc1nnc(C2CCOCC2)[nH]1)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001636327138 1282486993 /nfs/dbraw/zinc/48/69/93/1282486993.db2.gz KPSLWUGDKRMUON-UHFFFAOYSA-N -1 3 374.401 0.126 10 0 FCAEHM CON(C)C[C@H](O)Cn1cc(NC(=O)c2c[n-]c3ccccc3c2=O)cn1 ZINC001636418544 1282498442 /nfs/dbraw/zinc/49/84/42/1282498442.db2.gz FOEOQTRJCCBPRN-ZDUSSCGKSA-N -1 3 371.397 0.831 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCC2(O)CCS(=O)(=O)CC2)c1 ZINC001636449357 1282503834 /nfs/dbraw/zinc/50/38/34/1282503834.db2.gz VABDQBQNAIUGOV-UHFFFAOYSA-N -1 3 368.411 0.186 10 0 FCAEHM CC1(C)C[C@@H](NC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])C(=O)O1 ZINC001636596910 1282521496 /nfs/dbraw/zinc/52/14/96/1282521496.db2.gz TVFLEVSSGLZAFX-LLVKDONJSA-N -1 3 361.329 0.698 10 0 FCAEHM CC1(C)C[C@@H](NC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)C(=O)O1 ZINC001636596910 1282521509 /nfs/dbraw/zinc/52/15/09/1282521509.db2.gz TVFLEVSSGLZAFX-LLVKDONJSA-N -1 3 361.329 0.698 10 0 FCAEHM Cc1occc(=O)c1OCC(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC001637052937 1282554341 /nfs/dbraw/zinc/55/43/41/1282554341.db2.gz IASQEZWKVSPLBG-UHFFFAOYSA-N -1 3 359.338 0.862 10 0 FCAEHM CS(=O)(=O)c1ccc(N)c(C(=O)N2CCC(Cc3nnn[n-]3)CC2)c1 ZINC001637152402 1282567981 /nfs/dbraw/zinc/56/79/81/1282567981.db2.gz PPXBTQJCOXWKCV-UHFFFAOYSA-N -1 3 364.431 0.280 10 0 FCAEHM CS(=O)(=O)c1ccc(N)c(C(=O)N2CCC(Cc3nn[n-]n3)CC2)c1 ZINC001637152402 1282567990 /nfs/dbraw/zinc/56/79/90/1282567990.db2.gz PPXBTQJCOXWKCV-UHFFFAOYSA-N -1 3 364.431 0.280 10 0 FCAEHM CO[C@@](C)(C(=O)OC(C)(C)C)C(=O)N1CCC(Cc2nnn[n-]2)CC1 ZINC001637152139 1282568180 /nfs/dbraw/zinc/56/81/80/1282568180.db2.gz MWUFMHAYXMHKCX-MRXNPFEDSA-N -1 3 353.423 0.728 10 0 FCAEHM CO[C@@](C)(C(=O)OC(C)(C)C)C(=O)N1CCC(Cc2nn[n-]n2)CC1 ZINC001637152139 1282568190 /nfs/dbraw/zinc/56/81/90/1282568190.db2.gz MWUFMHAYXMHKCX-MRXNPFEDSA-N -1 3 353.423 0.728 10 0 FCAEHM COC(=O)[C@H]1CN(C)CCN(C(=O)c2nc[n-]c(=O)c2Br)C1 ZINC001638208646 1282672965 /nfs/dbraw/zinc/67/29/65/1282672965.db2.gz UOPLQOVEMCNACE-QMMMGPOBSA-N -1 3 373.207 0.122 10 0 FCAEHM O=C(NC[C@@H](CO)Cc1ccco1)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001638865485 1282728556 /nfs/dbraw/zinc/72/85/56/1282728556.db2.gz RIRHZMFBCGJBCV-STQMWFEESA-N -1 3 361.402 0.504 10 0 FCAEHM O=C(NC[C@H](CO)Cc1ccco1)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001638865483 1282728980 /nfs/dbraw/zinc/72/89/80/1282728980.db2.gz RIRHZMFBCGJBCV-OLZOCXBDSA-N -1 3 361.402 0.504 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NC[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC001639025858 1282741604 /nfs/dbraw/zinc/74/16/04/1282741604.db2.gz CHZRWOLVYLENLK-FRRDWIJNSA-N -1 3 357.432 0.644 10 0 FCAEHM CCS(=O)(=O)CCCNC(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC001639180567 1282755521 /nfs/dbraw/zinc/75/55/21/1282755521.db2.gz NYQDKKCZERRXFE-UHFFFAOYSA-N -1 3 352.434 0.051 10 0 FCAEHM COC(=O)[C@@H]1CO[C@H](CCC(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC001639192405 1282756627 /nfs/dbraw/zinc/75/66/27/1282756627.db2.gz HJQMDYYXUZYDHK-JGVFFNPUSA-N -1 3 350.297 0.798 10 0 FCAEHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC(NC3COC3)C2)c1 ZINC001639675478 1282804677 /nfs/dbraw/zinc/80/46/77/1282804677.db2.gz UFQJQHFDVWHFJI-UHFFFAOYSA-N -1 3 372.381 0.754 10 0 FCAEHM COc1ccc(COCC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)cn1 ZINC001640109541 1282839999 /nfs/dbraw/zinc/83/99/99/1282839999.db2.gz GXUCUPVYXBXWFV-ZDUSSCGKSA-N -1 3 359.386 0.498 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCc2cn(C3CCC3)nn2)c(C)o1 ZINC001640517593 1282871076 /nfs/dbraw/zinc/87/10/76/1282871076.db2.gz UCBIFFVDLNYSEY-UHFFFAOYSA-N -1 3 353.404 0.743 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCCn2cc(C(=O)OC)nn2)c1 ZINC001640550561 1282874739 /nfs/dbraw/zinc/87/47/39/1282874739.db2.gz HBHFTASXBKQZEQ-UHFFFAOYSA-N -1 3 359.342 0.325 10 0 FCAEHM CS(=O)(=O)C[C@H]1CCCCN1C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001641578259 1282964227 /nfs/dbraw/zinc/96/42/27/1282964227.db2.gz MAPGJOJDDSETSA-LLVKDONJSA-N -1 3 350.396 0.610 10 0 FCAEHM Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NCCCc1c[n-][nH]c1=O ZINC001642446350 1283011837 /nfs/dbraw/zinc/01/18/37/1283011837.db2.gz XQMXMFZUENPUFL-DZGCQCFKSA-N -1 3 373.392 0.533 10 0 FCAEHM CCOC(CCNC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)OCC ZINC001680191564 1283401288 /nfs/dbraw/zinc/40/12/88/1283401288.db2.gz PNVCXHHWRHSHQZ-GFCCVEGCSA-N -1 3 353.423 0.849 10 0 FCAEHM O=C(NCC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1)c1cnc[n-]c1=O ZINC001681953597 1283520590 /nfs/dbraw/zinc/52/05/90/1283520590.db2.gz BBZORRUIGQMOKM-VXGBXAGGSA-N -1 3 370.413 0.725 10 0 FCAEHM CCC[C@@](C)(CC)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1O ZINC001682615725 1283720212 /nfs/dbraw/zinc/72/02/12/1283720212.db2.gz SMPJJBXYKOFDPO-PBFPGSCMSA-N -1 3 350.419 0.700 10 0 FCAEHM CC(=O)NC1CCC(NC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)CC1 ZINC001683000410 1283827649 /nfs/dbraw/zinc/82/76/49/1283827649.db2.gz LWYSJMJOPIZZGS-RUXDESIVSA-N -1 3 362.434 0.507 10 0 FCAEHM CC/C=C(/C)C(=O)N[C@@H]1CN(C(=O)CCc2c(C)nc[n-]c2=O)C[C@H]1O ZINC001719083455 1287682582 /nfs/dbraw/zinc/68/25/82/1287682582.db2.gz QAQRFTJTNBGNAT-ILSYHXBVSA-N -1 3 362.430 0.467 10 0 FCAEHM CCC[C@@H](C)C(=O)N[C@@H]1CN(C(=O)CCc2c(C)nc[n-]c2=O)C[C@H]1O ZINC001719086225 1287689240 /nfs/dbraw/zinc/68/92/40/1287689240.db2.gz IOINZTQCXDOUNZ-KCPJHIHWSA-N -1 3 364.446 0.547 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CC[C@@H](Nc2ncccn2)C1 ZINC001684561293 1284201815 /nfs/dbraw/zinc/20/18/15/1284201815.db2.gz MNLZFNUYIYCPHW-CHWSQXEVSA-N -1 3 370.417 0.447 10 0 FCAEHM CC(=O)N(C)C1CCN(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)CC1 ZINC001684556996 1284201845 /nfs/dbraw/zinc/20/18/45/1284201845.db2.gz YSIFEUYAUWXPMF-CYBMUJFWSA-N -1 3 362.434 0.413 10 0 FCAEHM O=C(C[C@@H]1C[C@H]1C1CC1)NCc1cc(=O)[n-]c(CNC(=O)c2cn[nH]c2)n1 ZINC001702604167 1285750540 /nfs/dbraw/zinc/75/05/40/1285750540.db2.gz KBFZHQRFGRIEID-FZMZJTMJSA-N -1 3 370.413 0.888 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)CCNC(=O)CC(C)C ZINC001702633827 1285763867 /nfs/dbraw/zinc/76/38/67/1285763867.db2.gz NRLFZQBEGHPMPR-GXTWGEPZSA-N -1 3 364.450 0.466 10 0 FCAEHM COC[C@@H](C)CC(=O)N1C[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@]2(C)C1 ZINC001702769799 1285847627 /nfs/dbraw/zinc/84/76/27/1285847627.db2.gz BVTCQPMTPOVFQP-JCGVRSQUSA-N -1 3 362.430 0.775 10 0 FCAEHM COC[C@H](C)C(=O)N1C[C@@H]2CN(C(=O)c3c(C)nc[n-]c3=O)C[C@]2(C)C1 ZINC001702772614 1285852068 /nfs/dbraw/zinc/85/20/68/1285852068.db2.gz BXLHVYMLZOFNBA-SRBZOADZSA-N -1 3 362.430 0.694 10 0 FCAEHM O=C(CNC(=O)c1ccsc1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn[n-]n1)C2 ZINC001702927703 1286004367 /nfs/dbraw/zinc/00/43/67/1286004367.db2.gz FFWFTTSSIFOLMT-MDZLAQPJSA-N -1 3 374.426 0.158 10 0 FCAEHM CC(=O)N(C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3n[n-]nc31)C2 ZINC001702982857 1286034859 /nfs/dbraw/zinc/03/48/59/1286034859.db2.gz ZQICXPWYNRBGLQ-DFBGVHRSSA-N -1 3 370.413 0.298 10 0 FCAEHM CCOCC1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cnc[n-]c2=O)C3)CC1 ZINC001702991286 1286040800 /nfs/dbraw/zinc/04/08/00/1286040800.db2.gz LLHAABFQGUOUOH-BNOWGMLFSA-N -1 3 360.414 0.861 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)NCCN(C)C(=O)CCc1c(C)nc[n-]c1=O ZINC001704222493 1286199770 /nfs/dbraw/zinc/19/97/70/1286199770.db2.gz VJVGEMXZOMFJKZ-CJNGLKHVSA-N -1 3 364.446 0.813 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NCCN(C)C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001704241894 1286203967 /nfs/dbraw/zinc/20/39/67/1286203967.db2.gz CEMXTKNFEIQCPX-UONOGXRCSA-N -1 3 355.398 0.878 10 0 FCAEHM O=C(N1CCC(Cc2nnn[n-]2)CC1)[C@@]1(c2ccccc2)CCC(=O)NC1 ZINC001593921923 1286220211 /nfs/dbraw/zinc/22/02/11/1286220211.db2.gz YGQLUOIDJRRTAL-IBGZPJMESA-N -1 3 368.441 0.829 10 0 FCAEHM O=C(N1CCC(Cc2nn[n-]n2)CC1)[C@@]1(c2ccccc2)CCC(=O)NC1 ZINC001593921923 1286220217 /nfs/dbraw/zinc/22/02/17/1286220217.db2.gz YGQLUOIDJRRTAL-IBGZPJMESA-N -1 3 368.441 0.829 10 0 FCAEHM O=C(NC[C@@H](O)CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)c1ccccc1[O-] ZINC001704928493 1286320832 /nfs/dbraw/zinc/32/08/32/1286320832.db2.gz ZVYYNQIKPFAWAL-VNQPRFMTSA-N -1 3 362.426 0.662 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)N1C[C@@H](NC(=O)CCc2c(C)nc[n-]c2=O)[C@@H](O)C1 ZINC001719287050 1288034546 /nfs/dbraw/zinc/03/45/46/1288034546.db2.gz IEDAXHBIYHRLGI-NGFQHRJXSA-N -1 3 362.430 0.157 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NCc1cc(=O)[n-]c(CNC(=O)COC(C)C)n1 ZINC001719522353 1288166371 /nfs/dbraw/zinc/16/63/71/1288166371.db2.gz IQXLNXRCNBOQHL-DGCLKSJQSA-N -1 3 350.419 0.886 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2c(C)nc[n-]c2=O)CCN1C(=O)CN(C)C(C)=O ZINC001719556426 1288180362 /nfs/dbraw/zinc/18/03/62/1288180362.db2.gz PCVHYHCZWORANM-QWHCGFSZSA-N -1 3 363.418 0.078 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001720941130 1288275912 /nfs/dbraw/zinc/27/59/12/1288275912.db2.gz OYAUJZRAHHYLJD-MVWJERBFSA-N -1 3 358.402 0.262 10 0 FCAEHM COC[C@H](C)C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1cnc[n-]c1=O ZINC001736148170 1289175211 /nfs/dbraw/zinc/17/52/11/1289175211.db2.gz FLCWMTRMQMNPQT-AGIUHOORSA-N -1 3 350.419 0.822 10 0 FCAEHM NC(=O)[C@@H]1C[C@@H]1C(=O)NCC1(NC(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC001722101990 1288405046 /nfs/dbraw/zinc/40/50/46/1288405046.db2.gz HOUMTDYKNKQGQT-NEPJUHHUSA-N -1 3 368.393 0.028 10 0 FCAEHM COC(=O)[C@H]1CN(C(=O)c2cc(NC(C)=O)ccc2[O-])C[C@@H]1C(=O)OC ZINC001607288707 1288695171 /nfs/dbraw/zinc/69/51/71/1288695171.db2.gz KZGYYMQWWQTEIJ-STQMWFEESA-N -1 3 364.354 0.385 10 0 FCAEHM CCC[C@@H]1C[C@H]1C(=O)NC[C@H](O)CN(C)C(=O)c1c(C)nc[n-]c1=O ZINC001735418067 1288734809 /nfs/dbraw/zinc/73/48/09/1288734809.db2.gz LKZLCKCRHBFUKL-FRRDWIJNSA-N -1 3 350.419 0.476 10 0 FCAEHM CCCC[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1O ZINC001735743486 1288833486 /nfs/dbraw/zinc/83/34/86/1288833486.db2.gz OXLRGDAVWDTFRO-RAIGVLPGSA-N -1 3 350.419 0.618 10 0 FCAEHM O=C(C=C1CCC1)NCc1cc(=O)[n-]c(CNC(=O)[C@]23C[C@H]2COC3)n1 ZINC001736173210 1289187819 /nfs/dbraw/zinc/18/78/19/1289187819.db2.gz ZBMDQBFFMDHNBA-SGTLLEGYSA-N -1 3 358.398 0.561 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)CCc2cscn2)CCN1C(=O)c1cnc[n-]c1=O ZINC001736275640 1289235128 /nfs/dbraw/zinc/23/51/28/1289235128.db2.gz YMPMEIWAVVVRIH-MFKMUULPSA-N -1 3 361.427 0.991 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1nnc[nH]1)C2 ZINC001736537116 1289423747 /nfs/dbraw/zinc/42/37/47/1289423747.db2.gz MCXGGVUIKYUVKE-UTUOFQBUSA-N -1 3 371.401 0.103 10 0 FCAEHM C[C@@H](NC(=O)c1ccoc1)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn[n-]n1)C2 ZINC001736564552 1289444971 /nfs/dbraw/zinc/44/49/71/1289444971.db2.gz LYDOWWVCCUQDIE-LHMODEAPSA-N -1 3 372.385 0.078 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NCCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001737195983 1289518223 /nfs/dbraw/zinc/51/82/23/1289518223.db2.gz VWWQNSVPCBFUGI-VXGBXAGGSA-N -1 3 358.402 0.596 10 0 FCAEHM O=C(N[C@@H](CO)CNC(=O)[C@]12C[C@H]1CCC2)c1cc(=O)[n-]c(C2CC2)n1 ZINC001701708364 1289694836 /nfs/dbraw/zinc/69/48/36/1289694836.db2.gz ZKLBMZNCPDNNFY-SEDUGSJDSA-N -1 3 360.414 0.457 10 0 FCAEHM CS(=O)(=O)NC[C@H]1CCCN(Cc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC001615954137 1289765729 /nfs/dbraw/zinc/76/57/29/1289765729.db2.gz LJKJQQPLADGRMW-LLVKDONJSA-N -1 3 356.448 0.016 10 0 FCAEHM CCCC(C)(C)C(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1O ZINC001702206470 1289865738 /nfs/dbraw/zinc/86/57/38/1289865738.db2.gz ZOYKVUQZXYKXHQ-VXGBXAGGSA-N -1 3 350.419 0.618 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H](F)C(C)C)C1 ZINC001702209253 1289872761 /nfs/dbraw/zinc/87/27/61/1289872761.db2.gz PXPVKKDUDOMMKE-NFAWXSAZSA-N -1 3 368.409 0.105 10 0 FCAEHM CC[C@@H](F)C(=O)N[C@@H]1CN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C[C@H]1C ZINC001702276790 1289949187 /nfs/dbraw/zinc/94/91/87/1289949187.db2.gz ZRNOGWJITHXOCD-OWYVNGRQSA-N -1 3 361.373 0.895 10 0 FCAEHM COCCCC(=O)N1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001702289851 1289969569 /nfs/dbraw/zinc/96/95/69/1289969569.db2.gz CONLZIWPZIVOBS-GOEBONIOSA-N -1 3 357.414 0.956 10 0 FCAEHM COC(=O)c1sc2[n-]c(CN(C)C3CS(=O)(=O)C3)nc(=O)c2c1C ZINC001620501817 1289993571 /nfs/dbraw/zinc/99/35/71/1289993571.db2.gz OPJORFIRJDNHGL-UHFFFAOYSA-N -1 3 371.440 0.308 10 0 FCAEHM COCCC[C@@H](C)C(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@H](OC)C1 ZINC001702313775 1290016829 /nfs/dbraw/zinc/01/68/29/1290016829.db2.gz QPDGIAULRMDQTB-MRVWCRGKSA-N -1 3 366.418 0.201 10 0 FCAEHM C[C@H](CCNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])[S@@](C)=O ZINC001622136146 1290096176 /nfs/dbraw/zinc/09/61/76/1290096176.db2.gz ZNFZTPOYHFZPBY-REFGNXHDSA-N -1 3 367.402 0.761 10 0 FCAEHM C[C@H](CCNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O)[S@@](C)=O ZINC001622136146 1290096185 /nfs/dbraw/zinc/09/61/85/1290096185.db2.gz ZNFZTPOYHFZPBY-REFGNXHDSA-N -1 3 367.402 0.761 10 0 FCAEHM CC(C)[C@H](C)CC(=O)N1C[C@@H](NC(=O)c2cccc3n[n-]nc32)[C@@H](O)C1 ZINC001702356949 1290123639 /nfs/dbraw/zinc/12/36/39/1290123639.db2.gz WSZDSSNOGAOACF-DFBGVHRSSA-N -1 3 359.430 0.942 10 0 FCAEHM CC[C@H](F)C(=O)N[C@@H]1CN(C(=O)c2nnc3ccccc3c2[O-])C[C@@H]1O ZINC001702377839 1290165419 /nfs/dbraw/zinc/16/54/19/1290165419.db2.gz HOHGBQOBECZCKT-UHTWSYAYSA-N -1 3 362.361 0.385 10 0 FCAEHM Cn1ccnc1N1CCC(NC(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001623334385 1290212774 /nfs/dbraw/zinc/21/27/74/1290212774.db2.gz KNPRDJJYOXLPLM-UHFFFAOYSA-N -1 3 353.390 0.394 10 0 FCAEHM Cn1ccnc1N1CCC(NC(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001623334385 1290212781 /nfs/dbraw/zinc/21/27/81/1290212781.db2.gz KNPRDJJYOXLPLM-UHFFFAOYSA-N -1 3 353.390 0.394 10 0 FCAEHM C[C@@H](CC(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@@H]1O)CC(C)(C)C ZINC001739689164 1290365234 /nfs/dbraw/zinc/36/52/34/1290365234.db2.gz HDRFPNRXIHXDPO-YUTCNCBUSA-N -1 3 364.446 0.946 10 0 FCAEHM CCC[C@H](C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@@H]1O)C(C)C ZINC001739689748 1290366496 /nfs/dbraw/zinc/36/64/96/1290366496.db2.gz BWJGMKFBRQPFDU-YUTCNCBUSA-N -1 3 350.419 0.556 10 0 FCAEHM Cc1nc(C)c(CCC(=O)NCC2(S(=O)(=O)N(C)C)CC2)c(=O)[n-]1 ZINC001626039372 1290370365 /nfs/dbraw/zinc/37/03/65/1290370365.db2.gz GQMFPSIPIBOLES-UHFFFAOYSA-N -1 3 356.448 0.272 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NCc1nc(CNC(=O)C[C@@H]2CCOC2)cc(=O)[n-]1 ZINC001739983906 1290459131 /nfs/dbraw/zinc/45/91/31/1290459131.db2.gz VQIDYHFSNFNYFC-OUCADQQQSA-N -1 3 362.430 0.887 10 0 FCAEHM COCCO[C@H](C)C(=O)N1C[C@@H](CNC(=O)c2cnc[n-]c2=O)[C@H](C)C1 ZINC001740177550 1290508762 /nfs/dbraw/zinc/50/87/62/1290508762.db2.gz GPDBRHKCCRANIZ-JHJVBQTASA-N -1 3 366.418 0.058 10 0 FCAEHM C[C@]1(c2cccc(C(=O)NCc3cc(=O)[n-]c(=S)[nH]3)c2)NC(=O)NC1=O ZINC001628258898 1290520545 /nfs/dbraw/zinc/52/05/45/1290520545.db2.gz HWFLBNKBBFDAOU-MRXNPFEDSA-N -1 3 373.394 0.456 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@]1(F)CCN(C(=O)OC(C)(C)C)C1 ZINC001628270348 1290521439 /nfs/dbraw/zinc/52/14/39/1290521439.db2.gz QZPKCVIFGXWBRR-BZNIZROVSA-N -1 3 356.398 0.964 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H](C)[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001628274712 1290522832 /nfs/dbraw/zinc/52/28/32/1290522832.db2.gz PAGTZAALDOOJGF-CYZMBNFOSA-N -1 3 370.450 0.479 10 0 FCAEHM COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1c(C)[n-][nH]c1=O ZINC001628274785 1290523431 /nfs/dbraw/zinc/52/34/31/1290523431.db2.gz PSERXOUNYDQACQ-VXGBXAGGSA-N -1 3 356.423 0.544 10 0 FCAEHM Cn1nccc1[C@@H]1C[C@H]1C(=O)NC[C@@H](NC(=O)c1cn[n-]n1)C1CCCC1 ZINC001748047014 1290592901 /nfs/dbraw/zinc/59/29/01/1290592901.db2.gz AKXLIMOTXONTIY-MGPQQGTHSA-N -1 3 371.445 0.747 10 0 FCAEHM Cn1nccc1[C@@H]1C[C@H]1C(=O)NC[C@H](NC(=O)c1cn[n-]n1)C1CCCC1 ZINC001748047013 1290593203 /nfs/dbraw/zinc/59/32/03/1290593203.db2.gz AKXLIMOTXONTIY-MCIONIFRSA-N -1 3 371.445 0.747 10 0 FCAEHM NC(=O)c1ccc(CNC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])o1 ZINC001629339302 1290594562 /nfs/dbraw/zinc/59/45/62/1290594562.db2.gz TUKOBDSIAHUCQZ-UHFFFAOYSA-N -1 3 372.312 0.496 10 0 FCAEHM NC(=O)c1ccc(CNC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)o1 ZINC001629339302 1290594572 /nfs/dbraw/zinc/59/45/72/1290594572.db2.gz TUKOBDSIAHUCQZ-UHFFFAOYSA-N -1 3 372.312 0.496 10 0 FCAEHM CS(=O)(=O)CCOCCNC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001629403664 1290599520 /nfs/dbraw/zinc/59/95/20/1290599520.db2.gz GJZSUVFQSMROJS-UHFFFAOYSA-N -1 3 372.830 0.973 10 0 FCAEHM C[C@@H]1C(=O)N([N-]C(=O)c2cc(NC(=O)OC(C)(C)C)nn2C)C(=O)N1C ZINC001629885444 1290631789 /nfs/dbraw/zinc/63/17/89/1290631789.db2.gz YHQKZLMNLRJZRK-MRVPVSSYSA-N -1 3 366.378 0.694 10 0 FCAEHM Cc1nc(C)c(CC(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)c(=O)[n-]1 ZINC001629993043 1290640066 /nfs/dbraw/zinc/64/00/66/1290640066.db2.gz XTRKSFRLOWOQPF-KRWDZBQOSA-N -1 3 361.402 0.178 10 0 FCAEHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CC3(C2)CNC(=O)O3)c1 ZINC001630414606 1290667506 /nfs/dbraw/zinc/66/75/06/1290667506.db2.gz IMAROGYBDANHLU-UHFFFAOYSA-N -1 3 372.337 0.875 10 0 FCAEHM Cc1nnnn1C(=Cc1ccc(F)cc1)C(=O)NCCCc1c[n-][nH]c1=O ZINC001630631666 1290682237 /nfs/dbraw/zinc/68/22/37/1290682237.db2.gz LUOZQBCKSUOQMJ-MLJKTZRHSA-N -1 3 371.376 0.747 10 0 FCAEHM C[C@H](C(=O)NCCCc1c[n-][nH]c1=O)[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001630632479 1290682368 /nfs/dbraw/zinc/68/23/68/1290682368.db2.gz UMDZYKLLDKZLIN-YNEHKIRRSA-N -1 3 370.450 0.479 10 0 FCAEHM COc1nnc(NC(=O)c2c(CNC(=O)OC(C)(C)C)cnn2C)[n-]1 ZINC001630683802 1290687542 /nfs/dbraw/zinc/68/75/42/1290687542.db2.gz NGMMYPRTTZFMPU-UHFFFAOYSA-N -1 3 351.367 0.824 10 0 FCAEHM COc1nc(NC(=O)c2c(CNC(=O)OC(C)(C)C)cnn2C)n[n-]1 ZINC001630683802 1290687550 /nfs/dbraw/zinc/68/75/50/1290687550.db2.gz NGMMYPRTTZFMPU-UHFFFAOYSA-N -1 3 351.367 0.824 10 0 FCAEHM COc1n[n-]c(NC(=O)c2c(CNC(=O)OC(C)(C)C)cnn2C)n1 ZINC001630683802 1290687558 /nfs/dbraw/zinc/68/75/58/1290687558.db2.gz NGMMYPRTTZFMPU-UHFFFAOYSA-N -1 3 351.367 0.824 10 0 FCAEHM O=C(NC[C@H](NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CC1)c1cnc[n-]c1=O ZINC001758619163 1290834698 /nfs/dbraw/zinc/83/46/98/1290834698.db2.gz HDTRVKUGWMEFFO-JPNYFKRKSA-N -1 3 358.398 0.230 10 0 FCAEHM CS(=O)(=O)C[C@H](C(=O)NCc1cc(=O)[n-]c(=S)[nH]1)c1ccccc1 ZINC001644273140 1290951238 /nfs/dbraw/zinc/95/12/38/1290951238.db2.gz ONLBAOVRCSHCBA-LBPRGKRZSA-N -1 3 367.452 0.916 10 0 FCAEHM CC(=O)N1C[C@@H](C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)Oc2ccccc21 ZINC001644268646 1290951957 /nfs/dbraw/zinc/95/19/57/1290951957.db2.gz GCEVSVAMKCNMEI-ZDUSSCGKSA-N -1 3 360.395 0.901 10 0 FCAEHM CN1CCN(Cc2ccc(C(=O)N3CC[C@@H](c4nn[n-]n4)C3)s2)CC1 ZINC001644299395 1290953600 /nfs/dbraw/zinc/95/36/00/1290953600.db2.gz ORIKRVPGNBJQSD-GFCCVEGCSA-N -1 3 361.475 0.638 10 0 FCAEHM Nc1nn2c([n-]1)nc(CN1CCn3cnc(C(F)(F)F)c3C1)cc2=O ZINC001644345178 1290956339 /nfs/dbraw/zinc/95/63/39/1290956339.db2.gz PAOAGSLXENBPOL-UHFFFAOYSA-N -1 3 354.296 0.231 10 0 FCAEHM O=C(NC[C@H](O)C(F)(F)C(F)(F)F)c1ccc(-c2nnn[n-]2)cn1 ZINC001644437782 1290961094 /nfs/dbraw/zinc/96/10/94/1290961094.db2.gz JSVPQGCYXGYRLI-ZETCQYMHSA-N -1 3 352.223 0.550 10 0 FCAEHM O=C(NC[C@H](O)C(F)(F)C(F)(F)F)c1ccc(-c2nn[n-]n2)cn1 ZINC001644437782 1290961101 /nfs/dbraw/zinc/96/11/01/1290961101.db2.gz JSVPQGCYXGYRLI-ZETCQYMHSA-N -1 3 352.223 0.550 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)c3cn(C[C@H]4CCOC4)nn3)CC2)n1 ZINC001644865069 1290989760 /nfs/dbraw/zinc/98/97/60/1290989760.db2.gz GOUVOEDRNOKHDD-CYBMUJFWSA-N -1 3 373.417 0.081 10 0 FCAEHM CC(=O)[C@H]1CC[C@H](NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)CC1 ZINC001645304824 1291017717 /nfs/dbraw/zinc/01/77/17/1291017717.db2.gz HADGTDFNMYKJCO-MGCOHNPYSA-N -1 3 372.219 0.975 10 0 FCAEHM C/C=C/[C@@H](O)C(=O)NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1 ZINC001646003851 1291053798 /nfs/dbraw/zinc/05/37/98/1291053798.db2.gz BPFPMTYVMMNSHN-MVIFTORASA-N -1 3 352.391 0.760 10 0 FCAEHM O=C(C[C@H]1CC(=O)NC1=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001646347607 1291064394 /nfs/dbraw/zinc/06/43/94/1291064394.db2.gz KGBBRVYMTWIOED-NSHDSACASA-N -1 3 356.338 0.758 10 0 FCAEHM O=C(C[C@H]1CC(=O)NC1=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001646347607 1291064401 /nfs/dbraw/zinc/06/44/01/1291064401.db2.gz KGBBRVYMTWIOED-NSHDSACASA-N -1 3 356.338 0.758 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cnc3c(c2)CNC3=O)c(C)o1 ZINC001647851394 1291079443 /nfs/dbraw/zinc/07/94/43/1291079443.db2.gz GXOCBLDRWYHVBB-UHFFFAOYSA-N -1 3 350.356 0.387 10 0 FCAEHM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)[C@@H]1CNC(=O)C[C@H]1C(F)(F)F ZINC001650748355 1291177986 /nfs/dbraw/zinc/17/79/86/1291177986.db2.gz IHSFOTOVJMZZHD-VXNVDRBHSA-N -1 3 374.319 0.186 10 0 FCAEHM CNC(=O)NC[C@@H]1COCCN1C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC001650773243 1291178640 /nfs/dbraw/zinc/17/86/40/1291178640.db2.gz CYAUWBMLEJLXIR-LLVKDONJSA-N -1 3 353.375 0.179 10 0 FCAEHM O=C(Nc1n[n-]c(SCCO)n1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC001650865068 1291182546 /nfs/dbraw/zinc/18/25/46/1291182546.db2.gz OUBZYKLKFVYFBJ-LBPRGKRZSA-N -1 3 361.427 0.876 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)c2nn(CC)cc2Br)[n-]1 ZINC001650943316 1291187434 /nfs/dbraw/zinc/18/74/34/1291187434.db2.gz FNZVNTBHVYSQDT-UHFFFAOYSA-N -1 3 371.195 0.890 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cnc(C(N)=O)s2)ccc1F ZINC001651646083 1291230661 /nfs/dbraw/zinc/23/06/61/1291230661.db2.gz HCLNNFWORDPJRY-UHFFFAOYSA-N -1 3 358.376 0.542 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)CNC(=O)OC(C)(C)C)CC2)n1 ZINC001652071396 1291258474 /nfs/dbraw/zinc/25/84/74/1291258474.db2.gz WOBYYQNVLBAPSS-UHFFFAOYSA-N -1 3 351.407 0.664 10 0 FCAEHM C[C@@H](NC(=O)[C@](C)(O)Cn1ccccc1=O)c1nc(C(F)(F)F)n[n-]1 ZINC001652798771 1291300018 /nfs/dbraw/zinc/30/00/18/1291300018.db2.gz LBIPBBKOLVRCMP-AMIZOPFISA-N -1 3 359.308 0.614 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)C1(n2cnnn2)CCCCC1 ZINC001653312662 1291334950 /nfs/dbraw/zinc/33/49/50/1291334950.db2.gz LIZZBLCNWSJDIV-GFCCVEGCSA-N -1 3 358.406 0.223 10 0 FCAEHM COc1cnc([C@@H]2CCCN2C(=O)CN(C)[C@@H]2CCC[C@H]2O)[n-]c1=O ZINC001653337304 1291338051 /nfs/dbraw/zinc/33/80/51/1291338051.db2.gz OMJQKKSRUGCDRB-FRRDWIJNSA-N -1 3 350.419 0.700 10 0 FCAEHM COc1cnc([C@H]2CCCN2C(=O)CN(C)[C@@H]2CCC[C@H]2O)[n-]c1=O ZINC001653337305 1291338198 /nfs/dbraw/zinc/33/81/98/1291338198.db2.gz OMJQKKSRUGCDRB-JHJVBQTASA-N -1 3 350.419 0.700 10 0 FCAEHM C[C@@H]1OCCO[C@@H]1C(=O)NCC(C)(C)CN(C)C(=O)c1cnc[n-]c1=O ZINC001678023287 1292249910 /nfs/dbraw/zinc/24/99/10/1292249910.db2.gz PAMDLRGUVJOTRW-AAEUAGOBSA-N -1 3 366.418 0.201 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)CCc2ccn(C)n2)CCN1C(=O)c1cnc[n-]c1=O ZINC001685261452 1292472425 /nfs/dbraw/zinc/47/24/25/1292472425.db2.gz NSMZEDDCQPAOLV-RISCZKNCSA-N -1 3 358.402 0.268 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)c2cnc[n-]c2=O)CCN1C(=O)COC[C@@H]1CCCO1 ZINC001685282750 1292480983 /nfs/dbraw/zinc/48/09/83/1292480983.db2.gz MDZROAQEFRLTIF-DYEKYZERSA-N -1 3 364.402 0.097 10 0 FCAEHM CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@]2(C)C1 ZINC001685487273 1292538531 /nfs/dbraw/zinc/53/85/31/1292538531.db2.gz BLNJUFPULWTUGY-CFZJUORYSA-N -1 3 359.426 0.837 10 0 FCAEHM CN(Cc1nnc2ccccn21)C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001685573653 1292562451 /nfs/dbraw/zinc/56/24/51/1292562451.db2.gz HSTFIJGDBQLXOX-LBPRGKRZSA-N -1 3 368.401 0.645 10 0 FCAEHM C[C@@H](CC(=O)N1C[C@@H](CNC(=O)c2ccccc2[O-])[C@H](C)C1)NC(N)=O ZINC001685600881 1292569922 /nfs/dbraw/zinc/56/99/22/1292569922.db2.gz XALGCWNVCNIZNW-FRRDWIJNSA-N -1 3 362.430 0.663 10 0 FCAEHM CC(C)OC[C@H](CO)N(C)C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001685644696 1292581241 /nfs/dbraw/zinc/58/12/41/1292581241.db2.gz GNQCNONMURUMKR-STQMWFEESA-N -1 3 353.423 0.188 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CCNC(=O)[C@@]1(C)CCOC1 ZINC001685880319 1292673950 /nfs/dbraw/zinc/67/39/50/1292673950.db2.gz KNMAEDZYIAUAOB-VFVRVIDISA-N -1 3 362.430 0.823 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnon1 ZINC001686047434 1292745133 /nfs/dbraw/zinc/74/51/33/1292745133.db2.gz RWBJTCRSYWQQPI-OSMZGAPFSA-N -1 3 372.385 0.368 10 0 FCAEHM O=C(COCCc1ccccc1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn[n-]n1)C2 ZINC001686203991 1292824437 /nfs/dbraw/zinc/82/44/37/1292824437.db2.gz QDHAHCKYRNSUPN-INMHGKMJSA-N -1 3 369.425 0.926 10 0 FCAEHM CC(=O)Nc1ccc(CNC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)cn1 ZINC001686301615 1292889880 /nfs/dbraw/zinc/88/98/80/1292889880.db2.gz LYISARSMGOVCRE-CYBMUJFWSA-N -1 3 371.401 0.614 10 0 FCAEHM Cc1nnc([C@H]2CCCN(C(=O)N[C@@H]3CCN(c4cc(=O)[n-]cn4)C3)C2)[nH]1 ZINC001687789951 1293014456 /nfs/dbraw/zinc/01/44/56/1293014456.db2.gz PSPAFEPGRJKBMZ-QWHCGFSZSA-N -1 3 372.433 0.777 10 0 FCAEHM O=S(=O)([N-][C@@H]1CCCCC12OCCO2)C1CCS(=O)(=O)CC1 ZINC000715997453 836100897 /nfs/dbraw/zinc/10/08/97/836100897.db2.gz PQTAUZKYYWVHHB-GFCCVEGCSA-N -1 3 353.462 0.169 10 0 FCAEHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@@H](C)Cn1cncn1 ZINC000751076261 836465567 /nfs/dbraw/zinc/46/55/67/836465567.db2.gz UGLLKVAXDDHRHP-QMMMGPOBSA-N -1 3 359.795 0.480 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-]C[C@H]2CCOC2)c1I ZINC001118993348 847664195 /nfs/dbraw/zinc/66/41/95/847664195.db2.gz BIJQZPPSMAHXBK-SSDOTTSWSA-N -1 3 371.200 0.340 10 0 FCAEHM Cc1cc(S(=O)(=O)N2CCC(N3CC[C@@H](O)C3)CC2)sc1C(=O)[O-] ZINC001119002611 847669087 /nfs/dbraw/zinc/66/90/87/847669087.db2.gz UAHUOMCAMVPYRO-GFCCVEGCSA-N -1 3 374.484 0.974 10 0 FCAEHM O=C([O-])CN1CCCN(C(=O)C2([C@H]3CCCCO3)CCOCC2)CC1 ZINC001119586724 847900995 /nfs/dbraw/zinc/90/09/95/847900995.db2.gz PASVVTJRUYHGKO-OAHLLOKOSA-N -1 3 354.447 0.971 10 0 FCAEHM O=C(c1cc([O-])cc(Br)c1)N1CCN2CCOC[C@@]2(CO)C1 ZINC001123966854 848660849 /nfs/dbraw/zinc/66/08/49/848660849.db2.gz AYRWZEJROCYPCM-HNNXBMFYSA-N -1 3 371.231 0.674 10 0 FCAEHM COCCN(CC(=O)NCCc1c(C)[n-][nH]c1=O)C(=O)OC(C)(C)C ZINC001136653924 849232527 /nfs/dbraw/zinc/23/25/27/849232527.db2.gz LRKVJMRDYYTLNL-GFCCVEGCSA-N -1 3 356.423 0.498 10 0 FCAEHM COc1ccc(C(=O)NCCc2c(C)[n-][nH]c2=O)cc1S(C)(=O)=O ZINC001136653871 849232794 /nfs/dbraw/zinc/23/27/94/849232794.db2.gz KEPZPMRFQBFFAD-NSHDSACASA-N -1 3 353.400 0.341 10 0 FCAEHM COC[C@@H](CNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])OC ZINC001138157669 849301102 /nfs/dbraw/zinc/30/11/02/849301102.db2.gz PHQVMOVWUGRYIZ-GFCCVEGCSA-N -1 3 351.334 0.265 10 0 FCAEHM COC[C@@H](CNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O)OC ZINC001138157669 849301113 /nfs/dbraw/zinc/30/11/13/849301113.db2.gz PHQVMOVWUGRYIZ-GFCCVEGCSA-N -1 3 351.334 0.265 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2[C@H](C)CC[C@H](C(N)=O)[C@H]2C)ccc1F ZINC001143585399 849493544 /nfs/dbraw/zinc/49/35/44/849493544.db2.gz UNMQHJQJPLHBOH-FOGDFJRCSA-N -1 3 371.434 0.848 10 0 FCAEHM CS(=O)(=O)c1ccc(OCCCN2CC[C@@H](c3nnn[n-]3)C2)cc1 ZINC001175699626 850771766 /nfs/dbraw/zinc/77/17/66/850771766.db2.gz VJWAUEQEMCDJFT-GFCCVEGCSA-N -1 3 351.432 0.862 10 0 FCAEHM CS(=O)(=O)c1ccc(OCCCN2CC[C@@H](c3nn[n-]n3)C2)cc1 ZINC001175699626 850771778 /nfs/dbraw/zinc/77/17/78/850771778.db2.gz VJWAUEQEMCDJFT-GFCCVEGCSA-N -1 3 351.432 0.862 10 0 FCAEHM CS(=O)(=O)c1ccc(OCCCN2CC[C@H](c3nnn[n-]3)C2)cc1 ZINC001175699627 850771951 /nfs/dbraw/zinc/77/19/51/850771951.db2.gz VJWAUEQEMCDJFT-LBPRGKRZSA-N -1 3 351.432 0.862 10 0 FCAEHM CS(=O)(=O)c1ccc(OCCCN2CC[C@H](c3nn[n-]n3)C2)cc1 ZINC001175699627 850771959 /nfs/dbraw/zinc/77/19/59/850771959.db2.gz VJWAUEQEMCDJFT-LBPRGKRZSA-N -1 3 351.432 0.862 10 0 FCAEHM COC(=O)c1cc(NC(=O)CN2CCC(=O)NC2=O)c([O-])c(OC)c1 ZINC001179883142 851003596 /nfs/dbraw/zinc/00/35/96/851003596.db2.gz JPRBTCXKTFQHBD-UHFFFAOYSA-N -1 3 351.315 0.068 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NC1CC2(C1)CO[C@@H](C)C2 ZINC001184367681 851301170 /nfs/dbraw/zinc/30/11/70/851301170.db2.gz FVBTVYXATOVORC-AAYUTKSQSA-N -1 3 357.432 0.644 10 0 FCAEHM CC(C)OCCN1CC[C@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)[C@H]1C ZINC001264151243 859329165 /nfs/dbraw/zinc/32/91/65/859329165.db2.gz YLNGYVFRDCEIKG-NEPJUHHUSA-N -1 3 353.423 0.219 10 0 FCAEHM O=C(Cn1cc(Cl)cn1)NC[C@H]1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001264480191 859363019 /nfs/dbraw/zinc/36/30/19/859363019.db2.gz NRPDJUJFFUQQSN-GXSJLCMTSA-N -1 3 353.814 0.435 10 0 FCAEHM CC(C)CO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1O ZINC001281645862 863572528 /nfs/dbraw/zinc/57/25/28/863572528.db2.gz TVRDUXXTHNALHY-JGGQBBKZSA-N -1 3 350.415 0.755 10 0 FCAEHM CO[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1NC(=O)CCC(C)(F)F ZINC001281844408 863813118 /nfs/dbraw/zinc/81/31/18/863813118.db2.gz NLSKDXBMDUECNQ-GHMZBOCLSA-N -1 3 358.345 0.573 10 0 FCAEHM CCO[C@@H](C)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001282102366 864053576 /nfs/dbraw/zinc/05/35/76/864053576.db2.gz LYXJJJZUHPQXMT-RWMBFGLXSA-N -1 3 350.419 0.930 10 0 FCAEHM O=C(CCCC(F)(F)F)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001289110888 864923473 /nfs/dbraw/zinc/92/34/73/864923473.db2.gz MUNTVXQBTWYJMP-NXEZZACHSA-N -1 3 362.308 0.216 10 0 FCAEHM CCCOCC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1cnc[n-]c1=O ZINC001290290116 865384665 /nfs/dbraw/zinc/38/46/65/865384665.db2.gz MIGIZESOBGTCLF-OLZOCXBDSA-N -1 3 350.419 0.966 10 0 FCAEHM CNS(=O)(=O)CCC(=O)N1CC[C@H](NC(=O)c2ccccc2[O-])[C@H]1C ZINC001290578585 865450383 /nfs/dbraw/zinc/45/03/83/865450383.db2.gz QMSDGFQZCCMIED-YPMHNXCESA-N -1 3 369.443 0.051 10 0 FCAEHM CCC[C@H](OC)C(=O)NC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001290962915 865572027 /nfs/dbraw/zinc/57/20/27/865572027.db2.gz ASIOEDSGBCPNJL-BZPMIXESSA-N -1 3 350.419 0.822 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H](C)S(=O)(=O)c1ccc(F)cc1 ZINC001292968327 865765798 /nfs/dbraw/zinc/76/57/98/865765798.db2.gz NXBOEJVHIDRKOK-GXFFZTMASA-N -1 3 355.391 0.616 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F ZINC001292970516 865765901 /nfs/dbraw/zinc/76/59/01/865765901.db2.gz XJTXWKQHCLOTIV-QWRGUYRKSA-N -1 3 370.406 0.121 10 0 FCAEHM O=C(CNC(=O)c1cc2ccccc2[nH]1)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001300198046 866214841 /nfs/dbraw/zinc/21/48/41/866214841.db2.gz PTPJPSGNVCJIOB-UHFFFAOYSA-N -1 3 357.395 0.998 10 0 FCAEHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)C1CC2(C1)CS(=O)(=O)C2 ZINC001301760432 866288578 /nfs/dbraw/zinc/28/85/78/866288578.db2.gz KXHLQGQGMRMLOO-UHFFFAOYSA-N -1 3 351.428 0.891 10 0 FCAEHM O=C(c1c[n-]c2cc(F)c(F)cc2c1=O)N1C[C@H](CCO)[C@H](CO)C1 ZINC001349757765 866433802 /nfs/dbraw/zinc/43/38/02/866433802.db2.gz PPTUBBHXFACQLU-UWVGGRQHSA-N -1 3 352.337 0.869 10 0 FCAEHM CN(C)CCn1nccc1C(=O)NC[C@@H](SCC(=O)[O-])C(F)(F)F ZINC001350782027 866687567 /nfs/dbraw/zinc/68/75/67/866687567.db2.gz JWHHKTJOFBWCBV-SNVBAGLBSA-N -1 3 368.381 0.923 10 0 FCAEHM C[C@@H]1CCN(C(=O)COC(C)(C)C)[C@H](CNCc2nc(=O)n(C)[n-]2)C1 ZINC001316700666 867409355 /nfs/dbraw/zinc/40/93/55/867409355.db2.gz LTOMFDMDVWHFEK-OLZOCXBDSA-N -1 3 353.467 0.640 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NC1([C@@H]2CCCO2)CCC1 ZINC001353420901 867420055 /nfs/dbraw/zinc/42/00/55/867420055.db2.gz RHDULFDLZSSKRQ-JTQLQIEISA-N -1 3 372.219 0.929 10 0 FCAEHM COC[C@@H]([N-]S(=O)(=O)C1CCS(=O)(=O)CC1)c1ccc(C)o1 ZINC001319319315 867883121 /nfs/dbraw/zinc/88/31/21/867883121.db2.gz BCPFTSUAOHXNPO-GFCCVEGCSA-N -1 3 351.446 0.772 10 0 FCAEHM COC(=O)c1cccc(S(=O)(=O)NC2CCN(CC(=O)[O-])CC2)c1 ZINC001320428539 868164610 /nfs/dbraw/zinc/16/46/10/868164610.db2.gz GAWUDVQFJLTDPW-UHFFFAOYSA-N -1 3 356.400 0.301 10 0 FCAEHM C[C@]1(C(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)CCC(=O)NC1 ZINC001325127001 869786975 /nfs/dbraw/zinc/78/69/75/869786975.db2.gz ATZFMYQOERIXTJ-HNNXBMFYSA-N -1 3 357.407 0.730 10 0 FCAEHM CN(C)[C@]1(CNC(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)CCSC1 ZINC001328301110 871346828 /nfs/dbraw/zinc/34/68/28/871346828.db2.gz JUKQDNXBJIFLRT-INIZCTEOSA-N -1 3 357.476 0.253 10 0 FCAEHM O=C1Nc2ccccc2C[C@@H]1[N-]S(=O)(=O)C1CCS(=O)(=O)CC1 ZINC001328880615 871688058 /nfs/dbraw/zinc/68/80/58/871688058.db2.gz DADYFKBDSYYJLO-ZDUSSCGKSA-N -1 3 358.441 0.046 10 0 FCAEHM CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)N[C@H]1C[C@@H](C(N)=O)C1 ZINC001346332353 871774743 /nfs/dbraw/zinc/77/47/43/871774743.db2.gz HJHKCTBFCQNCSM-DTORHVGOSA-N -1 3 358.395 0.260 10 0 FCAEHM COC(=O)[C@]1(N2CCN(C(=O)c3c([O-])cccc3O)CC2)CCOC1 ZINC001329286262 871932730 /nfs/dbraw/zinc/93/27/30/871932730.db2.gz AGHCZVMSFUAJTQ-KRWDZBQOSA-N -1 3 350.371 0.188 10 0 FCAEHM O=C1CC[C@@H](c2noc([C@H]3CCS(=O)(=O)[N-]3)n2)CN1CC1CCC1 ZINC001329443328 872033283 /nfs/dbraw/zinc/03/32/83/872033283.db2.gz WQKMQZUZSDSFTM-VXGBXAGGSA-N -1 3 354.432 0.940 10 0 FCAEHM CC(C)(C)OCC(=O)NC(C)(C)C(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC001329658550 872159940 /nfs/dbraw/zinc/15/99/40/872159940.db2.gz HBSCSMZAOSMGHH-UHFFFAOYSA-N -1 3 350.419 0.777 10 0 FCAEHM CC1(C)[C@@H](CNC(=O)C(=O)NCc2nc(C(F)(F)F)n[n-]2)C1(F)F ZINC001347616846 872420845 /nfs/dbraw/zinc/42/08/45/872420845.db2.gz VDWSYSOCZCFYKC-RXMQYKEDSA-N -1 3 355.267 0.847 10 0 FCAEHM CN(C)CCCS(=O)(=O)N1C[C@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC001330273420 872550748 /nfs/dbraw/zinc/55/07/48/872550748.db2.gz CYMKJNBOXQGCLH-CHWSQXEVSA-N -1 3 358.464 0.192 10 0 FCAEHM CN(C)CCCS(=O)(=O)N1C[C@@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC001330273421 872550924 /nfs/dbraw/zinc/55/09/24/872550924.db2.gz CYMKJNBOXQGCLH-OLZOCXBDSA-N -1 3 358.464 0.192 10 0 FCAEHM O=C(Nc1nnn[n-]1)c1sc2c(c1I)CNC2 ZINC001330585274 872720091 /nfs/dbraw/zinc/72/00/91/872720091.db2.gz VHPKEWOWNSZPBP-UHFFFAOYSA-N -1 3 362.156 0.721 10 0 FCAEHM O=C(Nc1nn[n-]n1)c1sc2c(c1I)CNC2 ZINC001330585274 872720105 /nfs/dbraw/zinc/72/01/05/872720105.db2.gz VHPKEWOWNSZPBP-UHFFFAOYSA-N -1 3 362.156 0.721 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)c1nn2c(c1Br)CCC2 ZINC001332688114 873617519 /nfs/dbraw/zinc/61/75/19/873617519.db2.gz IDAZDCKUWVOJGX-MRVPVSSYSA-N -1 3 354.208 0.834 10 0 FCAEHM COC(=O)[C@@H](CF)NC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC000292155793 214081662 /nfs/dbraw/zinc/08/16/62/214081662.db2.gz CGDLOCXHNQHIBP-SNVBAGLBSA-N -1 3 353.281 0.115 10 0 FCAEHM COC(=O)[C@@H](CF)NC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000292155793 214081665 /nfs/dbraw/zinc/08/16/65/214081665.db2.gz CGDLOCXHNQHIBP-SNVBAGLBSA-N -1 3 353.281 0.115 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000295004964 214273405 /nfs/dbraw/zinc/27/34/05/214273405.db2.gz VIVNHSUBVKDXPQ-UHFFFAOYSA-N -1 3 373.818 0.172 10 0 FCAEHM CO[C@@H]1COCC[C@@H]1CC(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000295243920 214286715 /nfs/dbraw/zinc/28/67/15/214286715.db2.gz GHFKGKOBVBSDRS-VXGBXAGGSA-N -1 3 362.473 0.584 10 0 FCAEHM CC[C@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)[C@@H](O)C(F)F ZINC000295578971 214305539 /nfs/dbraw/zinc/30/55/39/214305539.db2.gz WIHKHGFIGSEOGS-OYNCUSHFSA-N -1 3 356.416 0.936 10 0 FCAEHM COc1cc(OC)c(C[C@H](C)NC(=O)CN2CC(=O)[N-]C2=O)c(OC)c1 ZINC000295611192 214308648 /nfs/dbraw/zinc/30/86/48/214308648.db2.gz GSCDUCBQEWSPRO-JTQLQIEISA-N -1 3 365.386 0.311 10 0 FCAEHM CCOC(=O)c1cn(CC[N-]S(=O)(=O)c2cnccc2OCC)cn1 ZINC000295865582 214321171 /nfs/dbraw/zinc/32/11/71/214321171.db2.gz FHVYZMREIYAMKZ-UHFFFAOYSA-N -1 3 368.415 0.832 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@H]1CCCN(CCCO)C1 ZINC000296289156 214340869 /nfs/dbraw/zinc/34/08/69/214340869.db2.gz RMPFWFNESXYSMB-ZDUSSCGKSA-N -1 3 374.459 0.808 10 0 FCAEHM CC[C@@H](NC(=O)NCC[N-]S(=O)(=O)c1cccs1)[C@H](O)C(F)F ZINC000297160488 214382033 /nfs/dbraw/zinc/38/20/33/214382033.db2.gz DPQDJULALPYXBB-SCZZXKLOSA-N -1 3 371.431 0.730 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)NCCCN2CCCC2=O)s1 ZINC000297163663 214382930 /nfs/dbraw/zinc/38/29/30/214382930.db2.gz AHNCBFNBKYOENV-UHFFFAOYSA-N -1 3 374.488 0.468 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000265697625 210200287 /nfs/dbraw/zinc/20/02/87/210200287.db2.gz XWGFRBUZRQFKGL-UHFFFAOYSA-N -1 3 359.382 0.895 10 0 FCAEHM COc1cccc(N2CCC[C@@H](NC(=O)c3cn(C)c(=O)[n-]c3=O)C2)c1 ZINC000265286354 210088453 /nfs/dbraw/zinc/08/84/53/210088453.db2.gz KYFVQNPTAZULMA-GFCCVEGCSA-N -1 3 358.398 0.893 10 0 FCAEHM Cc1nn2c(nnc2SCC(=O)N2CCO[C@H]3CCCC[C@@H]32)[n-]c1=O ZINC000265204470 210073365 /nfs/dbraw/zinc/07/33/65/210073365.db2.gz UNOOOSCWKQLKFN-QWRGUYRKSA-N -1 3 364.431 0.795 10 0 FCAEHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@@H](CF)C(=O)OC)c1 ZINC000287424975 213597750 /nfs/dbraw/zinc/59/77/50/213597750.db2.gz MKBQGWUFVAGVDV-JTQLQIEISA-N -1 3 353.755 0.916 10 0 FCAEHM CN1CCN(C)[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000333022662 215224315 /nfs/dbraw/zinc/22/43/15/215224315.db2.gz FNJBVTWKXMOLGE-HOCLYGCPSA-N -1 3 360.458 0.359 10 0 FCAEHM COCC1(S(=O)(=O)[N-][C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)CC1 ZINC000333142444 215240653 /nfs/dbraw/zinc/24/06/53/215240653.db2.gz ZBMSNHBUMUGDOU-IUODEOHRSA-N -1 3 368.459 0.323 10 0 FCAEHM Cc1cc(N2CC[C@H]([N-]S(=O)(=O)[C@@H]3C[C@@H]4CC[C@H]3C4)C2=O)n(C)n1 ZINC000333175025 215247076 /nfs/dbraw/zinc/24/70/76/215247076.db2.gz OMIPTVIPBURRJM-ZOBORPQBSA-N -1 3 352.460 0.942 10 0 FCAEHM O=C(C1CCCC1)N1CCC[C@H]1C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000333252366 215255407 /nfs/dbraw/zinc/25/54/07/215255407.db2.gz DNNUBWFRRXTSPQ-SCLBCKFNSA-N -1 3 362.430 0.368 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCC1(O)CCOCC1 ZINC000286075846 213441871 /nfs/dbraw/zinc/44/18/71/213441871.db2.gz JJKYQBQOUNQAEC-LBPRGKRZSA-N -1 3 374.434 0.540 10 0 FCAEHM CNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000361525313 215397152 /nfs/dbraw/zinc/39/71/52/215397152.db2.gz IFLSZTYJRYEJKJ-HIFRSBDPSA-N -1 3 359.426 0.981 10 0 FCAEHM COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2cn(C)c(=O)[n-]c2=O)cc1 ZINC000361575237 215397311 /nfs/dbraw/zinc/39/73/11/215397311.db2.gz HJOKBJWEYIELLV-AWEZNQCLSA-N -1 3 372.381 0.738 10 0 FCAEHM O=S(=O)([N-]CC[C@@H]1CNCCS1(=O)=O)c1ccc(Cl)s1 ZINC000721796259 675444353 /nfs/dbraw/zinc/44/43/53/675444353.db2.gz KYTQLKZYKBNJDL-MRVPVSSYSA-N -1 3 358.894 0.457 10 0 FCAEHM C[C@@H]1CCN(C[C@H](O)C2(O)CCOCC2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000931077419 674091113 /nfs/dbraw/zinc/09/11/13/674091113.db2.gz WTCWYRAYLZOPOD-WOPDTQHZSA-N -1 3 354.369 0.278 10 0 FCAEHM O=C1[C@@H]([N-]S(=O)(=O)c2ccc(Cl)nc2)CCN1C1CCOCC1 ZINC000365815817 215888275 /nfs/dbraw/zinc/88/82/75/215888275.db2.gz LBZHQFQIIOZCBJ-LBPRGKRZSA-N -1 3 359.835 0.793 10 0 FCAEHM CCOC(=O)c1cn[n-]c1S(=O)(=O)N1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000366836809 216038878 /nfs/dbraw/zinc/03/88/78/216038878.db2.gz DMSLIXXOKKRNIY-CYZMBNFOSA-N -1 3 373.431 0.543 10 0 FCAEHM CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000366836809 216038881 /nfs/dbraw/zinc/03/88/81/216038881.db2.gz DMSLIXXOKKRNIY-CYZMBNFOSA-N -1 3 373.431 0.543 10 0 FCAEHM O=C(COc1ccccc1)N1CC[C@H]([N-]S(=O)(=O)c2c[nH]cn2)C1 ZINC000367209101 216091817 /nfs/dbraw/zinc/09/18/17/216091817.db2.gz ZJYVAZBQERFWAD-LBPRGKRZSA-N -1 3 350.400 0.368 10 0 FCAEHM O=C(CN1CCN(C(=O)c2cccc([O-])c2)CC1)N1CCOC[C@@H]1C1CC1 ZINC000367241360 216096810 /nfs/dbraw/zinc/09/68/10/216096810.db2.gz RDAYGPUGBSOJBE-GOSISDBHSA-N -1 3 373.453 0.787 10 0 FCAEHM CC(C)OCCS(=O)(=O)[N-]CC(=O)N1CCCc2c(N)cccc21 ZINC000261687585 209467784 /nfs/dbraw/zinc/46/77/84/209467784.db2.gz APZXKFSLMPSQEX-UHFFFAOYSA-N -1 3 355.460 0.892 10 0 FCAEHM O=C(c1ccn(-c2ccccc2F)n1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000195018383 209331567 /nfs/dbraw/zinc/33/15/67/209331567.db2.gz YITXJUQPULBHBV-KRWDZBQOSA-N -1 3 357.345 0.826 10 0 FCAEHM Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000194995930 209331797 /nfs/dbraw/zinc/33/17/97/209331797.db2.gz BEUYIWDAERVNDW-GOSISDBHSA-N -1 3 361.446 0.899 10 0 FCAEHM Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000194995941 209331927 /nfs/dbraw/zinc/33/19/27/209331927.db2.gz BEUYIWDAERVNDW-SFHVURJKSA-N -1 3 361.446 0.899 10 0 FCAEHM CCN1CCC[C@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c2c(C)noc2C)C1 ZINC000194640858 209327328 /nfs/dbraw/zinc/32/73/28/209327328.db2.gz JSWKMVVZQXKUIN-AAEUAGOBSA-N -1 3 358.464 0.559 10 0 FCAEHM Cc1cccc(C)c1-n1nnnc1CN1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000192659725 209302243 /nfs/dbraw/zinc/30/22/43/209302243.db2.gz AEBFETZRQAYTRR-QGZVFWFLSA-N -1 3 355.402 0.453 10 0 FCAEHM O=C(CN1CCC[C@]2(C1)NC(=O)[N-]C2=O)NCC1(c2ccccc2)CC1 ZINC000192645790 209303563 /nfs/dbraw/zinc/30/35/63/209303563.db2.gz AJHZNJQFDPDSTB-LJQANCHMSA-N -1 3 356.426 0.508 10 0 FCAEHM CCn1c(=O)[n-]nc1SCC(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000368737506 216288896 /nfs/dbraw/zinc/28/88/96/216288896.db2.gz UNLTWIHICOFRFZ-LBPRGKRZSA-N -1 3 357.480 0.569 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccnc(-n3ccnc3)c2)cn1 ZINC000368734256 216289127 /nfs/dbraw/zinc/28/91/27/216289127.db2.gz VZWWYTCYSJFIOL-UHFFFAOYSA-N -1 3 372.410 0.500 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CCC23CCOCC3)cn1C ZINC000368907522 216316230 /nfs/dbraw/zinc/31/62/30/216316230.db2.gz XFMJCVKJRKHHQQ-UHFFFAOYSA-N -1 3 356.448 0.178 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NC[C@H]1CSCCN1Cc1ccccc1 ZINC000277343323 212350659 /nfs/dbraw/zinc/35/06/59/212350659.db2.gz NHYSTULZSMJFEF-KBPBESRZSA-N -1 3 362.455 0.318 10 0 FCAEHM COC(=O)c1sccc1S(=O)(=O)[N-]C(C)(C)[C@@H](O)C(=O)OC ZINC000277087110 212326303 /nfs/dbraw/zinc/32/63/03/212326303.db2.gz RINJSMWSWWBZDY-VIFPVBQESA-N -1 3 351.402 0.126 10 0 FCAEHM COC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H](C)Cn2cncn2)s1 ZINC000276551466 212254062 /nfs/dbraw/zinc/25/40/62/212254062.db2.gz YAIVWCQKGBNTFY-SNVBAGLBSA-N -1 3 373.460 0.605 10 0 FCAEHM COC(=O)NCCc1ccc(S(=O)(=O)[N-]C[C@@]2(O)CCOC2)s1 ZINC000276259241 212198743 /nfs/dbraw/zinc/19/87/43/212198743.db2.gz SEJGVDUPHDYCJK-ZDUSSCGKSA-N -1 3 364.445 0.076 10 0 FCAEHM COc1ccc(CN2CC[C@H]([N-]S(=O)(=O)[C@@H]3CCO[C@H]3C)C2=O)cc1 ZINC000276127094 212166433 /nfs/dbraw/zinc/16/64/33/212166433.db2.gz ZPYGCIOXAIOXHU-VBNZEHGJSA-N -1 3 368.455 0.893 10 0 FCAEHM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C(C)(C)O ZINC000275815757 212096123 /nfs/dbraw/zinc/09/61/23/212096123.db2.gz RIZFGZLBICMVCV-UHFFFAOYSA-N -1 3 364.489 0.765 10 0 FCAEHM C[C@@H](CO)[C@@H](C)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000275716712 212079507 /nfs/dbraw/zinc/07/95/07/212079507.db2.gz HRIWBSHRTXBLAX-WDEREUQCSA-N -1 3 350.462 0.232 10 0 FCAEHM C[C@H](C(=O)N1CCO[C@@H](CN(C)CC(=O)[O-])C1)N(C)Cc1ccccc1 ZINC000275516559 212042918 /nfs/dbraw/zinc/04/29/18/212042918.db2.gz BZGHASOEKWSIGF-WBVHZDCISA-N -1 3 363.458 0.751 10 0 FCAEHM CS(=O)(=O)C1(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000373651592 217041844 /nfs/dbraw/zinc/04/18/44/217041844.db2.gz ARQCZXMNTHNEMG-CYBMUJFWSA-N -1 3 366.439 0.690 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)ccc1F ZINC000374097834 217095443 /nfs/dbraw/zinc/09/54/43/217095443.db2.gz AFHOIFNRNXMJFC-ZYHUDNBSSA-N -1 3 355.391 0.084 10 0 FCAEHM C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)CC1=O ZINC000374139273 217100052 /nfs/dbraw/zinc/10/00/52/217100052.db2.gz AMWFPIAEJHSNLH-OLUVUFQESA-N -1 3 369.418 0.936 10 0 FCAEHM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)CC1=O ZINC000374139275 217100659 /nfs/dbraw/zinc/10/06/59/217100659.db2.gz AMWFPIAEJHSNLH-UDZFHETQSA-N -1 3 369.418 0.936 10 0 FCAEHM O=C(CC[C@H]1NC(=O)[N-]C1=O)N1CCOC[C@H]1Cc1c[nH]c2ccccc12 ZINC000374346326 217120985 /nfs/dbraw/zinc/12/09/85/217120985.db2.gz QZNZNDZTLVXCEN-CZUORRHYSA-N -1 3 370.409 0.926 10 0 FCAEHM O=C1[C@H]([N-]S(=O)(=O)CC2CCOCC2)CCCN1c1cccnc1 ZINC000374592419 217146300 /nfs/dbraw/zinc/14/63/00/217146300.db2.gz GTERWSSOGJCLMS-OAHLLOKOSA-N -1 3 353.444 0.923 10 0 FCAEHM COc1cccc([C@@H]2[C@@H](NC(=O)CN3CC(=O)[N-]C3=O)CCN2C2CC2)c1 ZINC000374889610 217185287 /nfs/dbraw/zinc/18/52/87/217185287.db2.gz CLFYDNXBULFXKC-MAUKXSAKSA-N -1 3 372.425 0.641 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCO[C@@H](C3CCCCC3)C2)c1 ZINC000374945856 217195274 /nfs/dbraw/zinc/19/52/74/217195274.db2.gz KIOPREYQLIYRMD-CQSZACIVSA-N -1 3 370.475 0.506 10 0 FCAEHM COCCCS(=O)(=O)[N-]CC(=O)Nc1cccc2c1OCC[C@H]2O ZINC000375098114 217217964 /nfs/dbraw/zinc/21/79/64/217217964.db2.gz FWNNXFPVXVAQCG-CYBMUJFWSA-N -1 3 358.416 0.397 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000182893706 209137739 /nfs/dbraw/zinc/13/77/39/209137739.db2.gz RYBOHGPVHYDGIB-SECBINFHSA-N -1 3 354.769 0.726 10 0 FCAEHM CN1CCC(Oc2ccc(CNC(=O)c3cnc([O-])n(C)c3=O)cc2)CC1 ZINC000375963077 217338644 /nfs/dbraw/zinc/33/86/44/217338644.db2.gz IIISCNOVVIYDMJ-UHFFFAOYSA-N -1 3 372.425 0.889 10 0 FCAEHM C[C@@H]1CN(C(=O)NCc2nnc(C(F)(F)F)[n-]2)[C@H](C)CN1CCO ZINC000419477029 246175620 /nfs/dbraw/zinc/17/56/20/246175620.db2.gz HGENGVSMYBRPAE-RKDXNWHRSA-N -1 3 350.345 0.420 10 0 FCAEHM C[C@@H]1CN(C(=O)NCc2n[n-]c(C(F)(F)F)n2)[C@H](C)CN1CCO ZINC000419477029 246175626 /nfs/dbraw/zinc/17/56/26/246175626.db2.gz HGENGVSMYBRPAE-RKDXNWHRSA-N -1 3 350.345 0.420 10 0 FCAEHM C[C@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)[C@@H]1COc2ccccc21 ZINC000378283626 217673825 /nfs/dbraw/zinc/67/38/25/217673825.db2.gz ZWBKZFVLNDXVFG-AAEUAGOBSA-N -1 3 364.427 0.379 10 0 FCAEHM O=C(CS(=O)(=O)c1ncn[n-]1)N1CCC(OCc2ccccc2)CC1 ZINC000424204110 247178949 /nfs/dbraw/zinc/17/89/49/247178949.db2.gz KFRXMPKZVXOODH-UHFFFAOYSA-N -1 3 364.427 0.786 10 0 FCAEHM O=C(CS(=O)(=O)c1nnc[n-]1)N1CCC(OCc2ccccc2)CC1 ZINC000424204110 247178954 /nfs/dbraw/zinc/17/89/54/247178954.db2.gz KFRXMPKZVXOODH-UHFFFAOYSA-N -1 3 364.427 0.786 10 0 FCAEHM CS(=O)(=O)CCCC[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000425181050 247301361 /nfs/dbraw/zinc/30/13/61/247301361.db2.gz GIOPCOMEBVKLFX-UHFFFAOYSA-N -1 3 369.486 0.193 10 0 FCAEHM Cc1nc(C)c(CNC(=O)CC[N-]S(=O)(=O)c2cn(C)c(C)n2)o1 ZINC000425299801 247319773 /nfs/dbraw/zinc/31/97/73/247319773.db2.gz DDQUKLYJJVGHBC-UHFFFAOYSA-N -1 3 355.420 0.318 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)N[C@@H]2CCC(=O)N(C)C2=O)ccc1F ZINC000425675226 247360351 /nfs/dbraw/zinc/36/03/51/247360351.db2.gz QYMLVQHNTJVXRJ-SNVBAGLBSA-N -1 3 372.378 0.003 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]CC(=O)NCCc2ccccc2OC)c1 ZINC000435617654 248003776 /nfs/dbraw/zinc/00/37/76/248003776.db2.gz QFKAJVQZOSIPCQ-UHFFFAOYSA-N -1 3 366.443 0.549 10 0 FCAEHM COCCCS(=O)(=O)[N-]CC(=O)Nc1cccc([C@H]2CNC(=O)C2)c1 ZINC000435413769 247996079 /nfs/dbraw/zinc/99/60/79/247996079.db2.gz WZCLBOPSTFXGJV-CYBMUJFWSA-N -1 3 369.443 0.185 10 0 FCAEHM C[C@@H]1COCCN1CCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436676367 248046723 /nfs/dbraw/zinc/04/67/23/248046723.db2.gz OSSQWCZDXPHRQY-ZBFHGGJFSA-N -1 3 361.442 0.834 10 0 FCAEHM NC(=O)c1ncccc1C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436794701 248052194 /nfs/dbraw/zinc/05/21/94/248052194.db2.gz WSUZQOZAPJXFBD-UHFFFAOYSA-N -1 3 354.366 0.484 10 0 FCAEHM NC(=O)C1CCC(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)CC1 ZINC000436973431 248055296 /nfs/dbraw/zinc/05/52/96/248055296.db2.gz SZCZYMWYIORJGA-UHFFFAOYSA-N -1 3 374.441 0.904 10 0 FCAEHM Cn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436991283 248057506 /nfs/dbraw/zinc/05/75/06/248057506.db2.gz RDDBAJSUEZHZAR-OAHLLOKOSA-N -1 3 373.413 0.571 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)NC[C@@](C)(O)CCC(C)C)cn1C ZINC000440168406 248160737 /nfs/dbraw/zinc/16/07/37/248160737.db2.gz JQVGBMDZHDACLR-HNNXBMFYSA-N -1 3 360.480 0.310 10 0 FCAEHM O=C1CCC(=O)N1CCC[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442737626 248294485 /nfs/dbraw/zinc/29/44/85/248294485.db2.gz GWRBQPCJMWQSGN-UHFFFAOYSA-N -1 3 365.333 0.918 10 0 FCAEHM NC(=O)CC1(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)CCC1 ZINC000443787361 248339993 /nfs/dbraw/zinc/33/99/93/248339993.db2.gz HPPYSIMFVNTTDN-UHFFFAOYSA-N -1 3 365.864 0.594 10 0 FCAEHM Cn1cc(C(N)=O)cc1C(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000445830602 248378725 /nfs/dbraw/zinc/37/87/25/248378725.db2.gz XFRVAQURJUHRLI-KRWDZBQOSA-N -1 3 355.354 0.431 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]C[C@@H]2CCCCN2CCO)c(C(F)(F)F)n1 ZINC000451674077 248524144 /nfs/dbraw/zinc/52/41/44/248524144.db2.gz XOFNNRAWXIOSQF-JTQLQIEISA-N -1 3 370.397 0.564 10 0 FCAEHM CC[C@H](NC(=O)CC[N-]S(=O)(=O)c1cccs1)[C@@H](O)C(F)F ZINC000452473422 249318658 /nfs/dbraw/zinc/31/86/58/249318658.db2.gz CVRAUFOCEORABF-GZMMTYOYSA-N -1 3 356.416 0.937 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CC[C@@](O)(C(F)F)C1 ZINC000452671319 249326981 /nfs/dbraw/zinc/32/69/81/249326981.db2.gz DNILUFSODVDTTC-LBPRGKRZSA-N -1 3 354.400 0.645 10 0 FCAEHM COc1nnc(NC(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)[n-]1 ZINC000271315148 211378902 /nfs/dbraw/zinc/37/89/02/211378902.db2.gz WFHRRAILYLISEX-UHFFFAOYSA-N -1 3 369.403 0.761 10 0 FCAEHM COc1nc(NC(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)n[n-]1 ZINC000271315148 211378905 /nfs/dbraw/zinc/37/89/05/211378905.db2.gz WFHRRAILYLISEX-UHFFFAOYSA-N -1 3 369.403 0.761 10 0 FCAEHM COc1n[n-]c(NC(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)n1 ZINC000271315148 211378906 /nfs/dbraw/zinc/37/89/06/211378906.db2.gz WFHRRAILYLISEX-UHFFFAOYSA-N -1 3 369.403 0.761 10 0 FCAEHM COc1nnc(NC(=O)[C@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)[n-]1 ZINC000271312366 211378286 /nfs/dbraw/zinc/37/82/86/211378286.db2.gz VRTGZHBEIVXRSY-MNOVXSKESA-N -1 3 365.390 0.734 10 0 FCAEHM COc1nc(NC(=O)[C@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)n[n-]1 ZINC000271312366 211378292 /nfs/dbraw/zinc/37/82/92/211378292.db2.gz VRTGZHBEIVXRSY-MNOVXSKESA-N -1 3 365.390 0.734 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)n1 ZINC000271312366 211378297 /nfs/dbraw/zinc/37/82/97/211378297.db2.gz VRTGZHBEIVXRSY-MNOVXSKESA-N -1 3 365.390 0.734 10 0 FCAEHM COC(=O)c1cc(OC)c(OC)cc1NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000271406163 211394190 /nfs/dbraw/zinc/39/41/90/211394190.db2.gz WREDYFJKWMNLCG-VIFPVBQESA-N -1 3 351.315 0.027 10 0 FCAEHM COc1nnc(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C(C)C)C3=O)[n-]1 ZINC000271307767 211376107 /nfs/dbraw/zinc/37/61/07/211376107.db2.gz UUPFLHAHLABNOB-UHFFFAOYSA-N -1 3 365.371 0.619 10 0 FCAEHM COc1nc(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C(C)C)C3=O)n[n-]1 ZINC000271307767 211376111 /nfs/dbraw/zinc/37/61/11/211376111.db2.gz UUPFLHAHLABNOB-UHFFFAOYSA-N -1 3 365.371 0.619 10 0 FCAEHM COc1n[n-]c(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C(C)C)C3=O)n1 ZINC000271307767 211376114 /nfs/dbraw/zinc/37/61/14/211376114.db2.gz UUPFLHAHLABNOB-UHFFFAOYSA-N -1 3 365.371 0.619 10 0 FCAEHM COc1nnc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C)s2)[n-]1 ZINC000271296360 211374232 /nfs/dbraw/zinc/37/42/32/211374232.db2.gz RKJFMZJJWVTLJV-SECBINFHSA-N -1 3 371.444 0.975 10 0 FCAEHM COc1nc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C)s2)n[n-]1 ZINC000271296360 211374237 /nfs/dbraw/zinc/37/42/37/211374237.db2.gz RKJFMZJJWVTLJV-SECBINFHSA-N -1 3 371.444 0.975 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C)s2)n1 ZINC000271296360 211374240 /nfs/dbraw/zinc/37/42/40/211374240.db2.gz RKJFMZJJWVTLJV-SECBINFHSA-N -1 3 371.444 0.975 10 0 FCAEHM COc1nnc(NC(=O)CCCN(C)S(=O)(=O)c2ccc(F)cc2)[n-]1 ZINC000271292339 211372537 /nfs/dbraw/zinc/37/25/37/211372537.db2.gz QMWRXPDQKNPSAJ-UHFFFAOYSA-N -1 3 371.394 0.992 10 0 FCAEHM COc1nc(NC(=O)CCCN(C)S(=O)(=O)c2ccc(F)cc2)n[n-]1 ZINC000271292339 211372540 /nfs/dbraw/zinc/37/25/40/211372540.db2.gz QMWRXPDQKNPSAJ-UHFFFAOYSA-N -1 3 371.394 0.992 10 0 FCAEHM COc1n[n-]c(NC(=O)CCCN(C)S(=O)(=O)c2ccc(F)cc2)n1 ZINC000271292339 211372542 /nfs/dbraw/zinc/37/25/42/211372542.db2.gz QMWRXPDQKNPSAJ-UHFFFAOYSA-N -1 3 371.394 0.992 10 0 FCAEHM Cc1nc([C@H](NC(=O)CN2CC(=O)[N-]C2=O)c2ccc(Cl)cc2)no1 ZINC000271291486 211372181 /nfs/dbraw/zinc/37/21/81/211372181.db2.gz FAKQTQKXZFDHCA-CYBMUJFWSA-N -1 3 363.761 0.789 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000271123942 211341042 /nfs/dbraw/zinc/34/10/42/211341042.db2.gz OORCTSRLNKMXBR-MRVPVSSYSA-N -1 3 368.752 0.252 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000271215722 211357706 /nfs/dbraw/zinc/35/77/06/211357706.db2.gz ZDNHZYJPEOCNDD-NWDGAFQWSA-N -1 3 369.324 0.786 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000271103892 211334389 /nfs/dbraw/zinc/33/43/89/211334389.db2.gz KRCOHJXJWFRWEI-HQJQHLMTSA-N -1 3 368.752 0.299 10 0 FCAEHM C[C@H](Cn1cncn1)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000271051218 211323672 /nfs/dbraw/zinc/32/36/72/211323672.db2.gz JNMRPKXAWCFZOK-SECBINFHSA-N -1 3 373.822 0.163 10 0 FCAEHM C[C@@H](CO)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000271046625 211322897 /nfs/dbraw/zinc/32/28/97/211322897.db2.gz IHZXVICYMNOBBW-DTWKUNHWSA-N -1 3 350.824 0.499 10 0 FCAEHM COC[C@@H](O)CC[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000270871864 211288150 /nfs/dbraw/zinc/28/81/50/211288150.db2.gz TYBKVKFMYLHERF-JTQLQIEISA-N -1 3 351.808 0.802 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H]1CC(C)(C)OC1=O ZINC000270841324 211280727 /nfs/dbraw/zinc/28/07/27/211280727.db2.gz KQEMHEWPUJKWCH-GXSJLCMTSA-N -1 3 358.391 0.703 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1ccc2nc(N3CCOCC3)oc2c1 ZINC000270829468 211278375 /nfs/dbraw/zinc/27/83/75/211278375.db2.gz FYNQMDYCWFUOBV-NSHDSACASA-N -1 3 359.342 0.201 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000270723073 211255058 /nfs/dbraw/zinc/25/50/58/211255058.db2.gz CBRDMQDZWSAXPU-LBPRGKRZSA-N -1 3 369.324 0.740 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCc1nn(-c2ccccc2)c2c1CCC2 ZINC000270703528 211252543 /nfs/dbraw/zinc/25/25/43/211252543.db2.gz JTGYAJGISAPTKA-ZDUSSCGKSA-N -1 3 353.382 0.575 10 0 FCAEHM CCOC(=O)C[C@@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1ccc(F)cc1 ZINC000270693845 211249551 /nfs/dbraw/zinc/24/95/51/211249551.db2.gz XDEVBYWQOLYDNO-NEPJUHHUSA-N -1 3 351.334 0.534 10 0 FCAEHM CCOCCCn1c2ccccc2nc1NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000270687780 211247446 /nfs/dbraw/zinc/24/74/46/211247446.db2.gz JEWBTHXJRZHELJ-LBPRGKRZSA-N -1 3 359.386 1.000 10 0 FCAEHM CCOc1cc2c(cc1OCC)CN(C(=O)C[C@@H]1NC(=O)[N-]C1=O)CC2 ZINC000270670511 211244830 /nfs/dbraw/zinc/24/48/30/211244830.db2.gz WBFYKXFVOKTVQO-ZDUSSCGKSA-N -1 3 361.398 0.967 10 0 FCAEHM C[C@](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000270623192 211235657 /nfs/dbraw/zinc/23/56/57/211235657.db2.gz UEJUNGBDAOVWSY-LKFCYVNXSA-N -1 3 372.303 0.120 10 0 FCAEHM CN(C(=O)C[C@@H]1NC(=O)[N-]C1=O)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000270590940 211231520 /nfs/dbraw/zinc/23/15/20/211231520.db2.gz MAPFEQUPUBVASJ-CMPLNLGQSA-N -1 3 364.789 0.502 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@]2(C(=O)OC)CCSC2)s1 ZINC000270299220 211181982 /nfs/dbraw/zinc/18/19/82/211181982.db2.gz YMCCTLLOHHGREU-LBPRGKRZSA-N -1 3 365.454 0.862 10 0 FCAEHM COC(=O)CCSc1cccc(NC(=O)CN2CC(=O)[N-]C2=O)c1 ZINC000270155306 211159724 /nfs/dbraw/zinc/15/97/24/211159724.db2.gz STNVJLXBOFWQNG-UHFFFAOYSA-N -1 3 351.384 0.832 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CO)c2cnn(C)c2)c(Cl)c1 ZINC000270150685 211159046 /nfs/dbraw/zinc/15/90/46/211159046.db2.gz CPHOXMXCNWCNMU-GFCCVEGCSA-N -1 3 373.818 0.872 10 0 FCAEHM CC[C@H](NC(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1)C(F)(F)F ZINC000470784217 250064533 /nfs/dbraw/zinc/06/45/33/250064533.db2.gz OABHUNRJBDXHMM-VIFPVBQESA-N -1 3 356.370 0.854 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)Nc2c[nH]c(=O)cc2C)cn1C ZINC000470850106 250068049 /nfs/dbraw/zinc/06/80/49/250068049.db2.gz YUQYVTLGCXBPKC-UHFFFAOYSA-N -1 3 353.404 0.445 10 0 FCAEHM COC(=O)CCCCCS(=O)(=O)[N-][C@@]1(C(=O)OC)CCSC1 ZINC000471651045 250114514 /nfs/dbraw/zinc/11/45/14/250114514.db2.gz ZJXJWPIZSVHIRE-ZDUSSCGKSA-N -1 3 353.462 0.688 10 0 FCAEHM O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)NCc1ncccc1[O-] ZINC000471843723 250120513 /nfs/dbraw/zinc/12/05/13/250120513.db2.gz JLOVFCCDHFDETP-GFCCVEGCSA-N -1 3 372.447 0.075 10 0 FCAEHM CNC(=O)c1ccc(OC)c(NC(=O)C(=O)NCc2ncccc2[O-])c1 ZINC000473038482 250194863 /nfs/dbraw/zinc/19/48/63/250194863.db2.gz UFVSCFLJEKEEEG-UHFFFAOYSA-N -1 3 358.354 0.410 10 0 FCAEHM O=C(NCc1ncccc1[O-])C(=O)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000473035328 250195303 /nfs/dbraw/zinc/19/53/03/250195303.db2.gz MOIPDIZXNOYMQO-UHFFFAOYSA-N -1 3 354.366 0.934 10 0 FCAEHM C[C@H]1Oc2ccc(NC(=O)C(=O)NCc3ncccc3[O-])cc2NC1=O ZINC000473064830 250197363 /nfs/dbraw/zinc/19/73/63/250197363.db2.gz DAPWSQDSAPULEH-SECBINFHSA-N -1 3 356.338 0.762 10 0 FCAEHM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NCc1ncccc1[O-] ZINC000473632377 250241755 /nfs/dbraw/zinc/24/17/55/250241755.db2.gz BBFBWWQFVWRCNL-SNVBAGLBSA-N -1 3 367.431 0.121 10 0 FCAEHM C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCc1ncccc1[O-] ZINC000473639445 250244276 /nfs/dbraw/zinc/24/42/76/250244276.db2.gz PJWLTZGQBGLOCM-JTQLQIEISA-N -1 3 353.375 0.910 10 0 FCAEHM NS(=O)(=O)c1cccc2c1ccnc2C(=O)NCc1ncccc1[O-] ZINC000473639801 250244609 /nfs/dbraw/zinc/24/46/09/250244609.db2.gz PSXWUUUSAYBAFX-UHFFFAOYSA-N -1 3 358.379 0.913 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CC[C@@H](C(F)(F)F)[C@H]2C)cn1C ZINC000473386275 250225178 /nfs/dbraw/zinc/22/51/78/250225178.db2.gz HDRPFYHMJNAJRY-PSASIEDQSA-N -1 3 368.381 0.806 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]Cc2ccccc2S(=O)(=O)N(C)C)c1 ZINC000474069829 250268457 /nfs/dbraw/zinc/26/84/57/250268457.db2.gz WZWQTBCNVZOABB-UHFFFAOYSA-N -1 3 372.472 0.632 10 0 FCAEHM COc1ccc(S(=O)(=O)NCc2ncccc2[O-])cc1C(=O)N(C)C ZINC000480751207 250280592 /nfs/dbraw/zinc/28/05/92/250280592.db2.gz BLBFGUXZGSUYMC-UHFFFAOYSA-N -1 3 365.411 0.976 10 0 FCAEHM Cn1ccc([C@@H]([N-]S(=O)(=O)c2cnnn2C)c2ccc(F)cc2)n1 ZINC000480938081 250299015 /nfs/dbraw/zinc/29/90/15/250299015.db2.gz XCYFVQJDLNRDBW-AWEZNQCLSA-N -1 3 350.379 0.756 10 0 FCAEHM COC[C@@](C)(CCO)NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000482535886 250393382 /nfs/dbraw/zinc/39/33/82/250393382.db2.gz PIKHEMGGGTYRDY-GFCCVEGCSA-N -1 3 370.880 0.584 10 0 FCAEHM C[C@H](c1ccncc1)N1CCC(NC(=O)c2cnc([O-])n(C)c2=O)CC1 ZINC000269598468 211019463 /nfs/dbraw/zinc/01/94/63/211019463.db2.gz GIXJZNURMRDOPW-GFCCVEGCSA-N -1 3 357.414 0.836 10 0 FCAEHM Cc1cc(CS(=O)(=O)[N-][C@H]2CCCN(CC(F)(F)F)C2=O)no1 ZINC000269530881 211002468 /nfs/dbraw/zinc/00/24/68/211002468.db2.gz WJNSUXFEPUVZCV-JTQLQIEISA-N -1 3 355.338 0.956 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)C3O)ccc1F ZINC000084300273 208109098 /nfs/dbraw/zinc/10/90/98/208109098.db2.gz IDBCZCYPTYHCOU-ODOQXGPZSA-N -1 3 356.419 0.967 10 0 FCAEHM O=C(N[C@H]1CCc2ncnn2C1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000112725471 208301229 /nfs/dbraw/zinc/30/12/29/208301229.db2.gz OOXYDBWQLBGHPK-GXTWGEPZSA-N -1 3 355.398 0.720 10 0 FCAEHM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000116791281 208333423 /nfs/dbraw/zinc/33/34/23/208333423.db2.gz PFLGDGDUAPIJMJ-CQSZACIVSA-N -1 3 361.446 0.773 10 0 FCAEHM CNS(=O)(=O)c1ccc(C(=O)Nc2cc(-c3nccn3C)[n-]n2)cc1 ZINC000119758579 208366708 /nfs/dbraw/zinc/36/67/08/208366708.db2.gz XJMHHONILFDNHB-UHFFFAOYSA-N -1 3 360.399 0.971 10 0 FCAEHM CNS(=O)(=O)c1ccc(C(=O)Nc2cc(-c3nccn3C)n[n-]2)cc1 ZINC000119758579 208366716 /nfs/dbraw/zinc/36/67/16/208366716.db2.gz XJMHHONILFDNHB-UHFFFAOYSA-N -1 3 360.399 0.971 10 0 FCAEHM C[C@@H](CNC(=O)CN1CC(=O)[N-]C1=O)Oc1ccc(Br)cc1 ZINC000266334187 210323564 /nfs/dbraw/zinc/32/35/64/210323564.db2.gz YIQQXEDVBZEZLK-VIFPVBQESA-N -1 3 370.203 0.884 10 0 FCAEHM COc1cccc(N2CC[C@H](CNC(=O)c3[nH]c(=O)[n-]c(=O)c3N)C2)c1 ZINC000266197944 210301776 /nfs/dbraw/zinc/30/17/76/210301776.db2.gz YHUMRVRXUPAZCJ-SNVBAGLBSA-N -1 3 359.386 0.735 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N(C)[C@H](C)c1cnn(C)c1 ZINC000180761875 209099937 /nfs/dbraw/zinc/09/99/37/209099937.db2.gz JDVCQMNGMYFSMH-WDEREUQCSA-N -1 3 369.447 0.911 10 0 FCAEHM Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000176546533 209005679 /nfs/dbraw/zinc/00/56/79/209005679.db2.gz UROFMULPSZQGBQ-GXSJLCMTSA-N -1 3 369.472 0.966 10 0 FCAEHM Nc1cc(Cl)cc(S(=O)(=O)[N-]CCOCCO)c1Br ZINC000061882577 221135155 /nfs/dbraw/zinc/13/51/55/221135155.db2.gz KJHFGUUBUPTLDC-UHFFFAOYSA-N -1 3 373.656 0.972 10 0 FCAEHM C[C@@H](C(=O)N1CCc2c(nc(N)[n-]c2=O)C1)c1n[nH]c(=O)c2ccccc21 ZINC000071745773 221358455 /nfs/dbraw/zinc/35/84/55/221358455.db2.gz IPHWEIZPAIJGTC-SECBINFHSA-N -1 3 366.381 0.277 10 0 FCAEHM C[S@](=O)CCC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000179136262 209072949 /nfs/dbraw/zinc/07/29/49/209072949.db2.gz CGIIJSCOBXDMKI-NRFANRHFSA-N -1 3 364.514 0.786 10 0 FCAEHM CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000409783410 533404103 /nfs/dbraw/zinc/40/41/03/533404103.db2.gz BACIKEDQPIXJFE-CABZTGNLSA-N -1 3 368.427 0.961 10 0 FCAEHM Cc1cc(N2CCC[C@@H]([N-]C(=O)C(F)(F)C3(O)CCC3)C2=O)n(C)n1 ZINC000179483561 209081494 /nfs/dbraw/zinc/08/14/94/209081494.db2.gz SNCQFFRNLDATLJ-LLVKDONJSA-N -1 3 356.373 0.890 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CCC[C@H](n2cncn2)C1 ZINC000171822860 229206623 /nfs/dbraw/zinc/20/66/23/229206623.db2.gz ZWZLFGOLTMUEJR-LBPRGKRZSA-N -1 3 369.472 0.872 10 0 FCAEHM C[C@@H]1CCCN(c2cc(N3CCO[C@@H](CN(C)CC(=O)[O-])C3)ncn2)C1 ZINC000262087974 533701096 /nfs/dbraw/zinc/70/10/96/533701096.db2.gz GNUZOVAZPAWMED-CABCVRRESA-N -1 3 363.462 0.935 10 0 FCAEHM C[C@@H]1CCCN(c2cc(N3CCO[C@H](CN(C)CC(=O)[O-])C3)ncn2)C1 ZINC000262087980 533701567 /nfs/dbraw/zinc/70/15/67/533701567.db2.gz GNUZOVAZPAWMED-HUUCEWRRSA-N -1 3 363.462 0.935 10 0 FCAEHM CCOC(=O)c1ccc(OC)c(S(=O)(=O)[N-][C@@H](CF)C(=O)OC)c1 ZINC000287450730 488870848 /nfs/dbraw/zinc/87/08/48/488870848.db2.gz OERCJRWESQZYBR-JTQLQIEISA-N -1 3 363.363 0.661 10 0 FCAEHM CS(=O)(=O)c1cccnc1C[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000278379615 488871821 /nfs/dbraw/zinc/87/18/21/488871821.db2.gz LJMKKWAYLUVVCV-UHFFFAOYSA-N -1 3 368.436 0.899 10 0 FCAEHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c1 ZINC000363705110 488875959 /nfs/dbraw/zinc/87/59/59/488875959.db2.gz ZELDODXRNXDHCP-NDMJEZRESA-N -1 3 370.402 0.900 10 0 FCAEHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c1 ZINC000363705112 488876063 /nfs/dbraw/zinc/87/60/63/488876063.db2.gz ZELDODXRNXDHCP-UFGOTCBOSA-N -1 3 370.402 0.900 10 0 FCAEHM C[C@@H]1C[C@H]1N1C[C@@H]([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)CC1=O ZINC000363701324 488876287 /nfs/dbraw/zinc/87/62/87/488876287.db2.gz SOAZIOZNICJUKC-GRYCIOLGSA-N -1 3 372.468 0.378 10 0 FCAEHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H](CO)C[C@H](O)C(C)(C)C)s1 ZINC000287484478 488873708 /nfs/dbraw/zinc/87/37/08/488873708.db2.gz SWNCVHFRCKYDSE-ZJUUUORDSA-N -1 3 365.477 0.538 10 0 FCAEHM COCCc1ccc(S(=O)(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000278593471 488883886 /nfs/dbraw/zinc/88/38/86/488883886.db2.gz BOZNFHJPDOUFNG-INIZCTEOSA-N -1 3 367.427 0.238 10 0 FCAEHM COCCc1ccc(S(=O)(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000278593473 488883996 /nfs/dbraw/zinc/88/39/96/488883996.db2.gz BOZNFHJPDOUFNG-MRXNPFEDSA-N -1 3 367.427 0.238 10 0 FCAEHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@H](CF)C(=O)OC)c1 ZINC000287589333 488884950 /nfs/dbraw/zinc/88/49/50/488884950.db2.gz XYENLAKNSSPYFA-SECBINFHSA-N -1 3 353.755 0.916 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@]2(O)CCO[C@@H]2C)c(Cl)c1 ZINC000278625322 488885581 /nfs/dbraw/zinc/88/55/81/488885581.db2.gz DSHTZURQXVZUPC-YMTOWFKASA-N -1 3 363.819 0.945 10 0 FCAEHM CCOc1ccc(S(=O)(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000278678022 488888980 /nfs/dbraw/zinc/88/89/80/488888980.db2.gz IHBHISPOCWPYBM-HNNXBMFYSA-N -1 3 353.400 0.448 10 0 FCAEHM CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000278747949 488893426 /nfs/dbraw/zinc/89/34/26/488893426.db2.gz NFGKZUAYJHXTOP-OAHLLOKOSA-N -1 3 366.399 0.008 10 0 FCAEHM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2cccc(S(=O)(=O)CC)c2)C1=O ZINC000278760140 488894577 /nfs/dbraw/zinc/89/45/77/488894577.db2.gz MORPYBJRRXZIIK-OAHLLOKOSA-N -1 3 353.400 0.846 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-][C@H](C)c2cccc(S(N)(=O)=O)c2)c1 ZINC000320830842 488901194 /nfs/dbraw/zinc/90/11/94/488901194.db2.gz ULYHEQIXTCNKBG-SNVBAGLBSA-N -1 3 358.445 0.590 10 0 FCAEHM O=C1[N-]C(=O)[C@@]2(CCCN(S(=O)(=O)c3ccc(-n4cccc4)cc3)C2)N1 ZINC000278798754 488896655 /nfs/dbraw/zinc/89/66/55/488896655.db2.gz RDUFEHSVQVSNEA-KRWDZBQOSA-N -1 3 374.422 0.840 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)CCS(C)(=O)=O)c1cn(-c2ccccc2)nn1 ZINC000363894998 488897469 /nfs/dbraw/zinc/89/74/69/488897469.db2.gz PVNUGPRFDDVDRU-LLVKDONJSA-N -1 3 358.445 0.292 10 0 FCAEHM COc1cc(NC(=O)CN2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc(OC)c1 ZINC000279004908 488909840 /nfs/dbraw/zinc/90/98/40/488909840.db2.gz DHMZDRZEFZSWEP-KRWDZBQOSA-N -1 3 362.386 0.316 10 0 FCAEHM CC[C@](NC(=O)CN1CC(=O)[N-]C1=O)(C(=O)OC)c1ccc(Cl)cc1 ZINC000287800765 488907883 /nfs/dbraw/zinc/90/78/83/488907883.db2.gz JSQTZPBGQZQXAO-MRXNPFEDSA-N -1 3 367.789 0.786 10 0 FCAEHM O=C(c1cccnc1OCC(F)F)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279040528 488912782 /nfs/dbraw/zinc/91/27/82/488912782.db2.gz ABIHGXDMUNHVOK-HNNXBMFYSA-N -1 3 354.313 0.540 10 0 FCAEHM O=C1[N-]C(=O)[C@@]2(CCCN(Cc3nc(-c4ccc5c(c4)OCO5)no3)C2)N1 ZINC000279053058 488913480 /nfs/dbraw/zinc/91/34/80/488913480.db2.gz KPKMTVIKXZZOCB-KRWDZBQOSA-N -1 3 371.353 0.639 10 0 FCAEHM COC(=O)c1sccc1NC(=O)CN1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279084820 488916045 /nfs/dbraw/zinc/91/60/45/488916045.db2.gz OLROPFFYKGPGMJ-OAHLLOKOSA-N -1 3 366.399 0.147 10 0 FCAEHM CN(CCCNC(=O)CN1CCC[C@@]2(C1)NC(=O)[N-]C2=O)c1ccccc1 ZINC000279141239 488919764 /nfs/dbraw/zinc/91/97/64/488919764.db2.gz XLENGFRKUBDYNB-IBGZPJMESA-N -1 3 373.457 0.303 10 0 FCAEHM COc1cccc2[nH]cc(CC(=O)N3CCC[C@]4(C3)NC(=O)[N-]C4=O)c21 ZINC000364189751 488932764 /nfs/dbraw/zinc/93/27/64/488932764.db2.gz NTZJZYNSZKQYHB-GOSISDBHSA-N -1 3 356.382 0.920 10 0 FCAEHM COCCOc1cccc(C=CC(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000279404079 488939622 /nfs/dbraw/zinc/93/96/22/488939622.db2.gz HAJGSSBGVUQYDP-OVKVCFKUSA-N -1 3 373.409 0.926 10 0 FCAEHM COc1ccc(-c2cc(C(=O)N3CCC[C@]4(C3)NC(=O)[N-]C4=O)[nH]n2)cc1 ZINC000279381931 488937456 /nfs/dbraw/zinc/93/74/56/488937456.db2.gz FOVOVPYSTOHMBR-GOSISDBHSA-N -1 3 369.381 0.900 10 0 FCAEHM Cc1c(C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)nnn1CC1CCCC1 ZINC000279396827 488938513 /nfs/dbraw/zinc/93/85/13/488938513.db2.gz GMPCEBDSAJPPCW-QGZVFWFLSA-N -1 3 360.418 0.591 10 0 FCAEHM C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279443452 488942901 /nfs/dbraw/zinc/94/29/01/488942901.db2.gz KARDAXRBKVJREJ-SGTLLEGYSA-N -1 3 374.397 0.502 10 0 FCAEHM COc1ccc(C(=O)CCC(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000279463234 488944323 /nfs/dbraw/zinc/94/43/23/488944323.db2.gz LHTYXFBAXDMLGX-SFHVURJKSA-N -1 3 359.382 0.859 10 0 FCAEHM COc1ccc(-n2ccc(C(=O)N3CCC[C@]4(C3)NC(=O)[N-]C4=O)n2)cc1 ZINC000279483194 488945719 /nfs/dbraw/zinc/94/57/19/488945719.db2.gz MRLQSJJTMDLADT-GOSISDBHSA-N -1 3 369.381 0.695 10 0 FCAEHM O=C(c1cn(-c2cccc(Cl)c2)nn1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279514741 488949001 /nfs/dbraw/zinc/94/90/01/488949001.db2.gz OZHDGPWYVALVLW-INIZCTEOSA-N -1 3 374.788 0.735 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000328910874 488949704 /nfs/dbraw/zinc/94/97/04/488949704.db2.gz FXALAPSMAUVEJN-YNEHKIRRSA-N -1 3 373.500 0.346 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N(C)CC(=O)NC(C)(C)C ZINC000024075819 487641747 /nfs/dbraw/zinc/64/17/47/487641747.db2.gz ISGXWPIOWXZYMJ-NSHDSACASA-N -1 3 373.450 0.866 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N(C)Cc1cnn(C)c1 ZINC000024472856 487645559 /nfs/dbraw/zinc/64/55/59/487645559.db2.gz WEDFQLLVTJLEOJ-NSHDSACASA-N -1 3 354.407 0.885 10 0 FCAEHM Cn1nccc1C[N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000026822859 487685312 /nfs/dbraw/zinc/68/53/12/487685312.db2.gz KSWYKNOHKGIBPO-UHFFFAOYSA-N -1 3 363.848 0.956 10 0 FCAEHM Cc1nc(C)c(CC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)c(=O)[n-]1 ZINC000031264703 487757285 /nfs/dbraw/zinc/75/72/85/487757285.db2.gz CIMSCOISRJPEIW-AWEZNQCLSA-N -1 3 362.430 0.027 10 0 FCAEHM C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000054323516 488222325 /nfs/dbraw/zinc/22/23/25/488222325.db2.gz URGGVXCQFMEDQE-ZDUSSCGKSA-N -1 3 368.437 0.953 10 0 FCAEHM COc1cc(OC)c(CNC(=O)CC[C@@H]2NC(=O)[N-]C2=O)c(OC)c1 ZINC000058480203 488283221 /nfs/dbraw/zinc/28/32/21/488283221.db2.gz UZDJODARAWJZHP-NSHDSACASA-N -1 3 351.359 0.317 10 0 FCAEHM C[C@H](Cn1cncn1)NC(=O)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000068086806 488360307 /nfs/dbraw/zinc/36/03/07/488360307.db2.gz JFCVFLANVNCYNL-LLVKDONJSA-N -1 3 354.370 0.054 10 0 FCAEHM C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000068097292 488360354 /nfs/dbraw/zinc/36/03/54/488360354.db2.gz KPPAKYKTBYZCRG-NWDGAFQWSA-N -1 3 370.409 0.370 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)c2cnn3ccc(C)nc23)s1 ZINC000068722915 488369144 /nfs/dbraw/zinc/36/91/44/488369144.db2.gz NYVROWVFBIVUHM-UHFFFAOYSA-N -1 3 365.440 0.937 10 0 FCAEHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCc1ccccc1Br ZINC000073175077 488384047 /nfs/dbraw/zinc/38/40/47/488384047.db2.gz KFHUDFZXCHCGKR-UHFFFAOYSA-N -1 3 353.176 0.380 10 0 FCAEHM COC(=O)[C@H](C)CS(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000268376619 488413060 /nfs/dbraw/zinc/41/30/60/488413060.db2.gz ZOJXITPGOPYSTO-OCCSQVGLSA-N -1 3 356.444 0.414 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]Cc2ccnc(N3CCOCC3)c2)c1 ZINC000080715059 488436622 /nfs/dbraw/zinc/43/66/22/488436622.db2.gz DEBVTIMUHTVJSI-UHFFFAOYSA-N -1 3 351.432 0.613 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]C[C@@H](Cc2ccc(F)cc2)C(N)=O)c1 ZINC000080740532 488437196 /nfs/dbraw/zinc/43/71/96/488437196.db2.gz NERPIRIWAAZVDR-GFCCVEGCSA-N -1 3 354.407 0.665 10 0 FCAEHM CCCN(C)S(=O)(=O)[N-]c1cc(C(=O)OC)cc(S(C)(=O)=O)c1 ZINC000268884976 488454881 /nfs/dbraw/zinc/45/48/81/488454881.db2.gz SNLXLDNTYFNTSD-UHFFFAOYSA-N -1 3 364.445 0.875 10 0 FCAEHM CN1CC[C@@H](NC(=O)C[C@@H]2NC(=O)[N-]C2=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246962442 488479013 /nfs/dbraw/zinc/47/90/13/488479013.db2.gz IDOGSFFWDFNQQQ-MBNYWOFBSA-N -1 3 368.796 0.939 10 0 FCAEHM O=C1[N-]C(=O)[C@@]2(CCN(S(=O)(=O)c3cccc(Br)c3)C2)N1 ZINC000096767794 488491658 /nfs/dbraw/zinc/49/16/58/488491658.db2.gz NXBWUWUABRLZRI-LBPRGKRZSA-N -1 3 374.216 0.422 10 0 FCAEHM Cc1cc(CN(C)C(=O)CC[N-]S(=O)(=O)c2cn(C)c(C)n2)no1 ZINC000101639400 488495733 /nfs/dbraw/zinc/49/57/33/488495733.db2.gz ZIMMJNBNBCNFQU-UHFFFAOYSA-N -1 3 355.420 0.352 10 0 FCAEHM C=CC(=O)NCCC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000269411571 488500850 /nfs/dbraw/zinc/50/08/50/488500850.db2.gz GEPAPIIDBQRGFG-UHFFFAOYSA-N -1 3 371.484 0.710 10 0 FCAEHM Cc1cc(CS(=O)(=O)NCC[N-]S(=O)(=O)c2cccs2)no1 ZINC000269491714 488509171 /nfs/dbraw/zinc/50/91/71/488509171.db2.gz OCFQUSZRKWQOLZ-UHFFFAOYSA-N -1 3 365.458 0.442 10 0 FCAEHM C[C@H](Cn1cncn1)NC(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000269482572 488508040 /nfs/dbraw/zinc/50/80/40/488508040.db2.gz LWWZFOQBGKKJLJ-SNVBAGLBSA-N -1 3 358.449 0.006 10 0 FCAEHM C[C@@H]1CCN(S(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)C[C@H]1C ZINC000253556445 488521607 /nfs/dbraw/zinc/52/16/07/488521607.db2.gz MRGWQRQZMDNWBJ-NXEZZACHSA-N -1 3 352.416 0.701 10 0 FCAEHM CC[C@](C)(COc1ncccc1Cl)NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000271590549 488528762 /nfs/dbraw/zinc/52/87/62/488528762.db2.gz RJVIDTGWJOEAPC-ZUZCIYMTSA-N -1 3 354.794 0.997 10 0 FCAEHM COC(=O)CCNC(=O)CC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000599476521 492177967 /nfs/dbraw/zinc/17/79/67/492177967.db2.gz YGNWLMAQJZSZPJ-UHFFFAOYSA-N -1 3 366.798 0.827 10 0 FCAEHM CC(C)Cn1c(=O)[n-]c(=O)c2c(C(=O)N3CC(CO)C3)cc(C3CC3)nc21 ZINC000122714984 488580687 /nfs/dbraw/zinc/58/06/87/488580687.db2.gz JTKMNDQXAIDGEU-UHFFFAOYSA-N -1 3 372.425 0.683 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)NCc2cnn(-c3ccccc3)c2)c1 ZINC000129179804 488629203 /nfs/dbraw/zinc/62/92/03/488629203.db2.gz CWMXARAPJNGYNZ-UHFFFAOYSA-N -1 3 374.426 0.201 10 0 FCAEHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]CCCN2CCOC2=O)c1 ZINC000263992472 488641626 /nfs/dbraw/zinc/64/16/26/488641626.db2.gz KRBGDCQFBXUBQR-UHFFFAOYSA-N -1 3 360.363 0.733 10 0 FCAEHM CS(=O)(=O)[N-]c1cc(C(=O)NCCCN2CCOC2=O)ccc1F ZINC000264047026 488645313 /nfs/dbraw/zinc/64/53/13/488645313.db2.gz PJFWVZFZBHZIKU-UHFFFAOYSA-N -1 3 359.379 0.769 10 0 FCAEHM O=C(N[C@@H]1CCCN(c2ncccn2)C1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000264133312 488650049 /nfs/dbraw/zinc/65/00/49/488650049.db2.gz UTCQUSBLDBVXDJ-GFCCVEGCSA-N -1 3 351.366 0.759 10 0 FCAEHM Cn1cc([N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)cc(Cl)c1=O ZINC000133001929 488656664 /nfs/dbraw/zinc/65/66/64/488656664.db2.gz XXTDGSZKWANGLM-JTQLQIEISA-N -1 3 358.807 0.997 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000133075711 488657360 /nfs/dbraw/zinc/65/73/60/488657360.db2.gz NUPFTCBKPAPLOX-QWRGUYRKSA-N -1 3 357.414 0.913 10 0 FCAEHM O=C(CC[C@H]1NC(=O)[N-]C1=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000134167855 488664821 /nfs/dbraw/zinc/66/48/21/488664821.db2.gz URMFBNKPNIXTBD-JOYOIKCWSA-N -1 3 352.341 0.648 10 0 FCAEHM CCCOC(=O)CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000264413909 488671358 /nfs/dbraw/zinc/67/13/58/488671358.db2.gz KINYGMFENPYMGQ-NSHDSACASA-N -1 3 360.407 0.952 10 0 FCAEHM COC(=O)[C@@H](CF)NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000554660106 491216415 /nfs/dbraw/zinc/21/64/15/491216415.db2.gz DDEGLFRXKRZRRX-ZCFIWIBFSA-N -1 3 358.800 0.307 10 0 FCAEHM COCCN1CCCN(C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)CC1 ZINC000264631667 488692698 /nfs/dbraw/zinc/69/26/98/488692698.db2.gz VDQULMSSZMXHQQ-UHFFFAOYSA-N -1 3 361.446 0.363 10 0 FCAEHM C[C@H]1CN(Cc2cccc(CNC(=O)CN3CC(=O)[N-]C3=O)c2)CCO1 ZINC000264667709 488696434 /nfs/dbraw/zinc/69/64/34/488696434.db2.gz ISYGMALRLZJDMV-ZDUSSCGKSA-N -1 3 360.414 0.075 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000264715596 488702125 /nfs/dbraw/zinc/70/21/25/488702125.db2.gz FAXOEBGSJWEZOG-UHFFFAOYSA-N -1 3 358.398 0.481 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCCC[C@@H]2c2nccs2)c1 ZINC000151267935 488703362 /nfs/dbraw/zinc/70/33/62/488703362.db2.gz ZFJJLCGFWIMAEL-LLVKDONJSA-N -1 3 369.472 0.909 10 0 FCAEHM C[C@@H](O)C[C@@H]1COCCN1C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000274391852 488704042 /nfs/dbraw/zinc/70/40/42/488704042.db2.gz SNVAYKHBXJEUCP-FRRDWIJNSA-N -1 3 374.434 0.491 10 0 FCAEHM CN1CCN(CCCNC(=O)CN2CC(=O)[N-]C2=O)[C@@H](c2ccccc2)C1 ZINC000264731756 488704377 /nfs/dbraw/zinc/70/43/77/488704377.db2.gz QLLFFDNTUYIXRL-MRXNPFEDSA-N -1 3 373.457 0.033 10 0 FCAEHM CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)CN2CC(=O)[N-]C2=O)C1 ZINC000264745524 488706130 /nfs/dbraw/zinc/70/61/30/488706130.db2.gz HIGPHADBXYXSKZ-LLVKDONJSA-N -1 3 354.407 0.302 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCO[C@]2(CCOC2)C1 ZINC000274442394 488708627 /nfs/dbraw/zinc/70/86/27/488708627.db2.gz LPQCIZITOPBGTN-BLLLJJGKSA-N -1 3 372.418 0.510 10 0 FCAEHM Cn1ccnc1[C@H](NC(=O)CN1CC(=O)[N-]C1=O)c1ccc(Cl)cc1 ZINC000264815707 488715507 /nfs/dbraw/zinc/71/55/07/488715507.db2.gz GQXXZLHQBKZKPZ-CQSZACIVSA-N -1 3 361.789 0.831 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)N1CCO[C@]2(CCOC2)C1 ZINC000274554496 488719530 /nfs/dbraw/zinc/71/95/30/488719530.db2.gz NLGSRPXKKVDUCF-LJQANCHMSA-N -1 3 371.393 0.688 10 0 FCAEHM CC(C)Cn1cnc(S(=O)(=O)[N-]Cc2ccc(S(N)(=O)=O)cc2)c1 ZINC000266811080 488733027 /nfs/dbraw/zinc/73/30/27/488733027.db2.gz GGLVSLDCZWPAHA-UHFFFAOYSA-N -1 3 372.472 0.665 10 0 FCAEHM COc1ccccc1N1CCC(NC(=O)c2[nH]c(=O)[n-]c(=O)c2N)CC1 ZINC000266829302 488734617 /nfs/dbraw/zinc/73/46/17/488734617.db2.gz JWGLFVDSCWTPTK-UHFFFAOYSA-N -1 3 359.386 0.877 10 0 FCAEHM C[C@H]1CN(Cc2ccccc2)CCN1C(=O)C1CC2(C1)NC(=O)[N-]C2=O ZINC000158737655 488780106 /nfs/dbraw/zinc/78/01/06/488780106.db2.gz GGSVVLKSWWVYPL-XIWWETDGSA-N -1 3 356.426 0.708 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000278004565 488795820 /nfs/dbraw/zinc/79/58/20/488795820.db2.gz SBEPGGUUXIKRNO-UHFFFAOYSA-N -1 3 351.790 0.702 10 0 FCAEHM O=C(CCc1ccccc1)N1CCCN(C(=O)CN2CC(=O)[N-]C2=O)CC1 ZINC000267635276 488807588 /nfs/dbraw/zinc/80/75/88/488807588.db2.gz XJQLMCNXOSYNIC-UHFFFAOYSA-N -1 3 372.425 0.232 10 0 FCAEHM Cn1nccc1CC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000278266248 488808289 /nfs/dbraw/zinc/80/82/89/488808289.db2.gz NYQRVGMZPPHSGM-UHFFFAOYSA-N -1 3 368.484 0.994 10 0 FCAEHM Cc1cc(N2CCC[C@H]([N-]S(=O)(=O)N3CCCCCC3)C2=O)n(C)n1 ZINC000174040733 488847243 /nfs/dbraw/zinc/84/72/43/488847243.db2.gz FCCYFHMNRPKPSZ-AWEZNQCLSA-N -1 3 369.491 0.934 10 0 FCAEHM COC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1)c1ccco1 ZINC000181342268 488863249 /nfs/dbraw/zinc/86/32/49/488863249.db2.gz WQGRGJZPMQYYEB-GFCCVEGCSA-N -1 3 355.416 0.986 10 0 FCAEHM COC(=O)c1ccc(CCC(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000364596591 488976374 /nfs/dbraw/zinc/97/63/74/488976374.db2.gz CBZKAOUITTTYLD-GOSISDBHSA-N -1 3 359.382 0.606 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCO[C@H]2CCC[C@H]21 ZINC000329278508 488988783 /nfs/dbraw/zinc/98/87/83/488988783.db2.gz LGZSVIUBEILRTP-UHTWSYAYSA-N -1 3 357.432 0.738 10 0 FCAEHM CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CC(=O)[N-]C1=O ZINC000364723936 488992425 /nfs/dbraw/zinc/99/24/25/488992425.db2.gz VIUPQDOVQOIDNW-NEPJUHHUSA-N -1 3 366.418 0.539 10 0 FCAEHM C[C@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCC(c2nc(=O)[n-][nH]2)CC1 ZINC000288576678 488993342 /nfs/dbraw/zinc/99/33/42/488993342.db2.gz BDBBJTAXHPBKOA-LLVKDONJSA-N -1 3 370.413 0.651 10 0 FCAEHM COc1ccc(-n2cc(C[N-]S(=O)(=O)[C@@H]3CCO[C@H]3C)nn2)cc1 ZINC000364794145 489002788 /nfs/dbraw/zinc/00/27/88/489002788.db2.gz QYTFKHFRNGOMLX-XHDPSFHLSA-N -1 3 352.416 0.873 10 0 FCAEHM CC(C)c1nn(C)cc1NC(=O)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000280391987 489003873 /nfs/dbraw/zinc/00/38/73/489003873.db2.gz QMWFSBBIOFCQLB-UHFFFAOYSA-N -1 3 373.413 0.734 10 0 FCAEHM CNS(=O)(=O)c1cc(NC(=O)[N-]OCCCC(=O)OC)ccc1C ZINC000288786507 489016053 /nfs/dbraw/zinc/01/60/53/489016053.db2.gz KUZICKNBQKBFMB-UHFFFAOYSA-N -1 3 359.404 0.909 10 0 FCAEHM CCNC(=O)N1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000365008904 489029122 /nfs/dbraw/zinc/02/91/22/489029122.db2.gz CZWROBZJFKUVNM-OAHLLOKOSA-N -1 3 374.441 0.871 10 0 FCAEHM O=c1nc(C2CCN(CCNS(=O)(=O)c3ccccc3)CC2)[nH][n-]1 ZINC000280956528 489043584 /nfs/dbraw/zinc/04/35/84/489043584.db2.gz JHSCHFWKVQSGEZ-UHFFFAOYSA-N -1 3 351.432 0.256 10 0 FCAEHM CCOC(=O)c1cn[n-]c1S(=O)(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000281038268 489048854 /nfs/dbraw/zinc/04/88/54/489048854.db2.gz QYRQCKNSPZAIST-OAHLLOKOSA-N -1 3 373.431 0.545 10 0 FCAEHM CCOC(=O)c1c[n-]nc1S(=O)(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000281038268 489048857 /nfs/dbraw/zinc/04/88/57/489048857.db2.gz QYRQCKNSPZAIST-OAHLLOKOSA-N -1 3 373.431 0.545 10 0 FCAEHM CCOc1cccc(CNC(=O)CN2CCC(c3nc(=O)[n-][nH]3)CC2)c1 ZINC000289463184 489068798 /nfs/dbraw/zinc/06/87/98/489068798.db2.gz QHISERDZGANOHW-UHFFFAOYSA-N -1 3 359.430 0.993 10 0 FCAEHM Cc1nn(C)c(C)c1[C@H]1[C@H]([N-]S(=O)(=O)C[C@H]2CCCO2)CC(=O)N1C ZINC000330293956 489088500 /nfs/dbraw/zinc/08/85/00/489088500.db2.gz IDYNJOBJSQNHRV-XJKCOSOUSA-N -1 3 370.475 0.407 10 0 FCAEHM CC(C)S(=O)(=O)CCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000365654741 489096987 /nfs/dbraw/zinc/09/69/87/489096987.db2.gz SJWCLGHCHFGJMQ-CQSZACIVSA-N -1 3 368.455 0.936 10 0 FCAEHM COc1ccc([O-])c(C(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)c1 ZINC000365714110 489103445 /nfs/dbraw/zinc/10/34/45/489103445.db2.gz WEJUIYIDFFLUGM-UHFFFAOYSA-N -1 3 357.432 0.355 10 0 FCAEHM O=C([O-])CN1CCC(NS(=O)(=O)c2cccc3nsnc32)CC1 ZINC000281817263 489108744 /nfs/dbraw/zinc/10/87/44/489108744.db2.gz JVCCWJOJGRPISJ-UHFFFAOYSA-N -1 3 356.429 0.519 10 0 FCAEHM CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C(C)(C)O ZINC000281947682 489119250 /nfs/dbraw/zinc/11/92/50/489119250.db2.gz MYGQNHYIZLRWNM-UHFFFAOYSA-N -1 3 350.462 0.423 10 0 FCAEHM Cc1nn2cc(S(=O)(=O)[N-]C[C@H](O)C(F)(F)F)cnc2c1Cl ZINC000330570626 489118130 /nfs/dbraw/zinc/11/81/30/489118130.db2.gz NWWMXSQJRQLZAQ-ZETCQYMHSA-N -1 3 358.729 0.893 10 0 FCAEHM CNC(=O)[C@@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000330599042 489121615 /nfs/dbraw/zinc/12/16/15/489121615.db2.gz FXUYFZGNEWMJCL-QMMMGPOBSA-N -1 3 365.864 0.417 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000282022430 489125919 /nfs/dbraw/zinc/12/59/19/489125919.db2.gz LEJOOLZQHSFLEA-UHFFFAOYSA-N -1 3 355.416 0.318 10 0 FCAEHM COC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000282097841 489133688 /nfs/dbraw/zinc/13/36/88/489133688.db2.gz FTEXTAMONFGORX-MRVPVSSYSA-N -1 3 371.806 0.704 10 0 FCAEHM COC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000282097841 489133691 /nfs/dbraw/zinc/13/36/91/489133691.db2.gz FTEXTAMONFGORX-MRVPVSSYSA-N -1 3 371.806 0.704 10 0 FCAEHM O=C(CN1CCC[C@@]2(C1)NC(=O)[N-]C2=O)NCCCOC1CCCCC1 ZINC000366118898 489147248 /nfs/dbraw/zinc/14/72/48/489147248.db2.gz AYNLMWODBFLQHK-SFHVURJKSA-N -1 3 366.462 0.516 10 0 FCAEHM CN(C)S(=O)(=O)CC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000330839063 489148774 /nfs/dbraw/zinc/14/87/74/489148774.db2.gz UTEJYEQXIFHTBE-UHFFFAOYSA-N -1 3 369.443 0.461 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C[C@@H](C)N1CCN(C)CC1 ZINC000290625467 489153780 /nfs/dbraw/zinc/15/37/80/489153780.db2.gz CHZQWOUDUUQRIQ-LLVKDONJSA-N -1 3 373.475 0.597 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@H](C)CS(C)(=O)=O ZINC000290709421 489159853 /nfs/dbraw/zinc/15/98/53/489159853.db2.gz JGCKFMNYQILCGJ-SSDOTTSWSA-N -1 3 353.418 0.394 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@H]1CC[C@H](O)CC1 ZINC000282403601 489161051 /nfs/dbraw/zinc/16/10/51/489161051.db2.gz DQCODGYPUGQXCS-HAQNSBGRSA-N -1 3 362.473 0.519 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CC(=O)N(C)[C@H](C)C1 ZINC000282452123 489165148 /nfs/dbraw/zinc/16/51/48/489165148.db2.gz SMPXDKBIRIEPHB-MNOVXSKESA-N -1 3 357.407 0.182 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@@H](CO)c1cnn(C)c1 ZINC000290869358 489170703 /nfs/dbraw/zinc/17/07/03/489170703.db2.gz XZDREWWWYXVAEP-NSHDSACASA-N -1 3 357.388 0.428 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000282768341 489189568 /nfs/dbraw/zinc/18/95/68/489189568.db2.gz KJSUWBGEXUILQK-AWEZNQCLSA-N -1 3 360.389 0.777 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@@]1(O)CCSC1 ZINC000331272954 489192324 /nfs/dbraw/zinc/19/23/24/489192324.db2.gz CLTAXFDEMLNLKN-LBPRGKRZSA-N -1 3 351.471 0.236 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)Nc1ccc2ccc(=O)n(C)c2c1 ZINC000555094460 491238890 /nfs/dbraw/zinc/23/88/90/491238890.db2.gz GWABFMVHSFSBJW-UHFFFAOYSA-N -1 3 367.427 0.433 10 0 FCAEHM Cc1cc(C(=O)Nc2[n-]nnc2C(=O)NC2CC2)ccc1-n1cncn1 ZINC000297624345 489215327 /nfs/dbraw/zinc/21/53/27/489215327.db2.gz BTBLYFHGWBEZPR-UHFFFAOYSA-N -1 3 352.358 0.838 10 0 FCAEHM Cc1cc(C(=O)Nc2nn[n-]c2C(=O)NC2CC2)ccc1-n1cncn1 ZINC000297624345 489215329 /nfs/dbraw/zinc/21/53/29/489215329.db2.gz BTBLYFHGWBEZPR-UHFFFAOYSA-N -1 3 352.358 0.838 10 0 FCAEHM Cc1cc(C(=O)Nc2n[n-]nc2C(=O)NC2CC2)ccc1-n1cncn1 ZINC000297624345 489215332 /nfs/dbraw/zinc/21/53/32/489215332.db2.gz BTBLYFHGWBEZPR-UHFFFAOYSA-N -1 3 352.358 0.838 10 0 FCAEHM Cc1ccc(N2C[C@@H](C(=O)Nc3[n-]nnc3C(=O)NC3CC3)CC2=O)cc1 ZINC000297700730 489226201 /nfs/dbraw/zinc/22/62/01/489226201.db2.gz JWNOGIAESOINCQ-NSHDSACASA-N -1 3 368.397 0.997 10 0 FCAEHM Cc1ccc(N2C[C@@H](C(=O)Nc3nn[n-]c3C(=O)NC3CC3)CC2=O)cc1 ZINC000297700730 489226204 /nfs/dbraw/zinc/22/62/04/489226204.db2.gz JWNOGIAESOINCQ-NSHDSACASA-N -1 3 368.397 0.997 10 0 FCAEHM Cc1ccc(N2C[C@@H](C(=O)Nc3n[n-]nc3C(=O)NC3CC3)CC2=O)cc1 ZINC000297700730 489226208 /nfs/dbraw/zinc/22/62/08/489226208.db2.gz JWNOGIAESOINCQ-NSHDSACASA-N -1 3 368.397 0.997 10 0 FCAEHM O=C(NC1CC1)c1nn[n-]c1NC(=O)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000297741431 489233726 /nfs/dbraw/zinc/23/37/26/489233726.db2.gz NEKZSEZLFYFQQV-LLVKDONJSA-N -1 3 358.358 0.512 10 0 FCAEHM O=C(NC1CC1)c1[n-]nnc1NC(=O)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000297741431 489233728 /nfs/dbraw/zinc/23/37/28/489233728.db2.gz NEKZSEZLFYFQQV-LLVKDONJSA-N -1 3 358.358 0.512 10 0 FCAEHM O=C(NC1CC1)c1n[n-]nc1NC(=O)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000297741431 489233730 /nfs/dbraw/zinc/23/37/30/489233730.db2.gz NEKZSEZLFYFQQV-LLVKDONJSA-N -1 3 358.358 0.512 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2C[C@H]3CCC[C@@H](C2)C3O)cn1C ZINC000369488321 489244159 /nfs/dbraw/zinc/24/41/59/489244159.db2.gz PWGJQWFXYITPJP-OCZCAGDBSA-N -1 3 370.475 0.016 10 0 FCAEHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000369627920 489258484 /nfs/dbraw/zinc/25/84/84/489258484.db2.gz AODZAVWDZPECJK-CQSZACIVSA-N -1 3 357.410 0.897 10 0 FCAEHM O=C1N[C@@H](CC2CC2)C(=O)N1CC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000348652576 489276729 /nfs/dbraw/zinc/27/67/29/489276729.db2.gz LAXPRQAUXZNJRF-LBPRGKRZSA-N -1 3 373.381 0.964 10 0 FCAEHM CN(C)c1noc(Cn2cc(I)c(=O)[n-]c2=O)n1 ZINC000563437950 491245737 /nfs/dbraw/zinc/24/57/37/491245737.db2.gz DWFNURBFCZORHO-UHFFFAOYSA-N -1 3 363.115 0.051 10 0 FCAEHM CCn1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@H](C)[C@@H]2C)cn1 ZINC000349482689 489296747 /nfs/dbraw/zinc/29/67/47/489296747.db2.gz PTQBVOGHTLSPRH-RYUDHWBXSA-N -1 3 364.493 0.705 10 0 FCAEHM Cc1n[nH]c(C)c1[N-]S(=O)(=O)CCCS(=O)(=O)N1CC[C@H](C)C1 ZINC000349498971 489300237 /nfs/dbraw/zinc/30/02/37/489300237.db2.gz DQBBJZUYZOYMEJ-JTQLQIEISA-N -1 3 364.493 0.830 10 0 FCAEHM Cc1ccc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CCCO2)nc1 ZINC000349607728 489326894 /nfs/dbraw/zinc/32/68/94/489326894.db2.gz MSAUQHHTFMDNBY-UHFFFAOYSA-N -1 3 363.461 0.879 10 0 FCAEHM CC[C@@H]1CCN1S(=O)(=O)CCCCS(=O)(=O)[N-]c1cn[nH]c1 ZINC000349611139 489328106 /nfs/dbraw/zinc/32/81/06/489328106.db2.gz SBAGBCSBQJQBKY-GFCCVEGCSA-N -1 3 350.466 0.746 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCO[C@H]2CCN(C)C[C@@H]21 ZINC000285898816 489331362 /nfs/dbraw/zinc/33/13/62/489331362.db2.gz SQKFQDXTMIQBLR-AVGNSLFASA-N -1 3 373.500 0.346 10 0 FCAEHM CCC1(CC)CN(C(=O)c2cc(=O)[n-]c(N(C)C)n2)CCS1(=O)=O ZINC000555289864 491244194 /nfs/dbraw/zinc/24/41/94/491244194.db2.gz HIBQOECUGWGAJD-UHFFFAOYSA-N -1 3 356.448 0.678 10 0 FCAEHM CCS(=O)(=O)[N-]Cc1nc(CC(=O)N(C)Cc2ccccc2)no1 ZINC000350965477 489352682 /nfs/dbraw/zinc/35/26/82/489352682.db2.gz GYVAMOHIOBMIRK-UHFFFAOYSA-N -1 3 352.416 0.710 10 0 FCAEHM O=C1[N-]C(=O)[C@H](Cc2nc(-c3cnc(OCC(F)(F)F)cn3)no2)N1 ZINC000351013085 489353262 /nfs/dbraw/zinc/35/32/62/489353262.db2.gz SCZJUDXBDLUBDV-YFKPBYRVSA-N -1 3 358.236 0.218 10 0 FCAEHM CC[C@@H](NC(=O)CN1CC(=O)[N-]C1=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000370480854 489364816 /nfs/dbraw/zinc/36/48/16/489364816.db2.gz URAVATICKDGQRT-HZPDHXFCSA-N -1 3 374.441 0.334 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CC[C@@](C)(c3ccccc3)C2)c1 ZINC000361751467 489365357 /nfs/dbraw/zinc/36/53/57/489365357.db2.gz NGNPLCJCQBQFPE-QGZVFWFLSA-N -1 3 362.455 0.889 10 0 FCAEHM COC(=O)[C@H]1C[C@H](C2CCCCC2)CN1C(=O)CN1CC(=O)[N-]C1=O ZINC000361805261 489366677 /nfs/dbraw/zinc/36/66/77/489366677.db2.gz YPTRLXAYZDPYPR-QWHCGFSZSA-N -1 3 351.403 0.509 10 0 FCAEHM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C[C@H]1C(=O)[O-] ZINC000570569343 491250476 /nfs/dbraw/zinc/25/04/76/491250476.db2.gz OGVKWQOQNIUEHV-RBSFLKMASA-N -1 3 351.447 0.642 10 0 FCAEHM CC(C)[C@](C)(NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F)C(N)=O ZINC000286329699 489380617 /nfs/dbraw/zinc/38/06/17/489380617.db2.gz BHGUGVBHFPJUMO-BONVTDFDSA-N -1 3 359.423 0.509 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NC[C@H](NCc1ccccc1)c1ccco1 ZINC000286387108 489386331 /nfs/dbraw/zinc/38/63/31/489386331.db2.gz KORGVLPRXNRDAD-AWEZNQCLSA-N -1 3 356.382 0.779 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)nc1=N ZINC000555533327 491252818 /nfs/dbraw/zinc/25/28/18/491252818.db2.gz GPVVPPMOHDQURI-YPMHNXCESA-N -1 3 358.402 0.533 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)Cc2ccc(-n3cnnn3)cc2)nc1=N ZINC000555541637 491253691 /nfs/dbraw/zinc/25/36/91/491253691.db2.gz QDCOZPKJGOFRPB-ZDUSSCGKSA-N -1 3 353.390 0.110 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)n[n-]1 ZINC000370902788 489425648 /nfs/dbraw/zinc/42/56/48/489425648.db2.gz MPFZNJIIJHHHKI-UHFFFAOYSA-N -1 3 368.353 0.907 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)[n-]n1 ZINC000370902788 489425652 /nfs/dbraw/zinc/42/56/52/489425652.db2.gz MPFZNJIIJHHHKI-UHFFFAOYSA-N -1 3 368.353 0.907 10 0 FCAEHM COC(=O)CCCCCNC(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000299302452 489429829 /nfs/dbraw/zinc/42/98/29/489429829.db2.gz PEOXQADDZFXCGB-UHFFFAOYSA-N -1 3 361.398 0.930 10 0 FCAEHM COc1ccc2c(c1)C=C(S(=O)(=O)[N-][C@@H]1CC(=O)N(C)C1=O)CC2 ZINC000287171448 489467441 /nfs/dbraw/zinc/46/74/41/489467441.db2.gz COLRSNGALSRTPN-CQSZACIVSA-N -1 3 350.396 0.659 10 0 FCAEHM CC[C@@](C)(NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F)C(=O)OC ZINC000299652591 489467646 /nfs/dbraw/zinc/46/76/46/489467646.db2.gz FYWOEYIXSBQCAA-ZUZCIYMTSA-N -1 3 360.407 0.950 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-][C@H](CO)[C@H]1CCCOC1 ZINC000632458167 493002321 /nfs/dbraw/zinc/00/23/21/493002321.db2.gz YCRFZBLBJLYYKE-WCBMZHEXSA-N -1 3 357.354 0.505 10 0 FCAEHM O=C(c1cccc([O-])c1)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000371677176 489497071 /nfs/dbraw/zinc/49/70/71/489497071.db2.gz RNPHLXNLWFRXIT-OAHLLOKOSA-N -1 3 354.428 0.659 10 0 FCAEHM CCOc1ccncc1S(=O)(=O)[N-][C@H](C(=O)OC)c1ccn(C)n1 ZINC000451445855 489504678 /nfs/dbraw/zinc/50/46/78/489504678.db2.gz NFJVIPPQGBMTIA-ZDUSSCGKSA-N -1 3 354.388 0.406 10 0 FCAEHM CCOC(=O)CCS(=O)(=O)[N-][C@@H]1CCCN(c2cccnc2)C1=O ZINC000371747470 489505593 /nfs/dbraw/zinc/50/55/93/489505593.db2.gz QYIFSNHHXKZWTH-CYBMUJFWSA-N -1 3 355.416 0.450 10 0 FCAEHM NC(=O)CCn1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])n1 ZINC000371793648 489509503 /nfs/dbraw/zinc/50/95/03/489509503.db2.gz ZMHKWKJWRLWBMH-CYBMUJFWSA-N -1 3 371.397 0.707 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-]C[C@H]2CCCCN2CCO)c(C)o1 ZINC000451669984 489516682 /nfs/dbraw/zinc/51/66/82/489516682.db2.gz NTOYQXZACZKEDV-GFCCVEGCSA-N -1 3 360.432 0.500 10 0 FCAEHM CC[C@@H]([N-]S(=O)(=O)C1CN(C(=O)C2CCCC2)C1)[C@H](O)C(F)F ZINC000451717482 489519836 /nfs/dbraw/zinc/51/98/36/489519836.db2.gz TUXKLEJWCWVKDC-NEPJUHHUSA-N -1 3 354.419 0.711 10 0 FCAEHM COC(=O)[C@H](C)CS(=O)(=O)[N-]Cc1nn(C)cc1Br ZINC000451832556 489525493 /nfs/dbraw/zinc/52/54/93/489525493.db2.gz YBFCMMGQOMNPKD-SSDOTTSWSA-N -1 3 354.226 0.411 10 0 FCAEHM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-][C@H]2COCC2(C)C)c1 ZINC000451979794 489535369 /nfs/dbraw/zinc/53/53/69/489535369.db2.gz QMCZIAJBXYUBDU-ZDUSSCGKSA-N -1 3 371.411 0.963 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)Nc2ccc(CO)c(Cl)c2)cn1C ZINC000416202776 489574708 /nfs/dbraw/zinc/57/47/08/489574708.db2.gz KDBSRZNNKIKOPN-UHFFFAOYSA-N -1 3 372.834 0.791 10 0 FCAEHM COCCCOC1CN(C(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)C1 ZINC000426675951 489579308 /nfs/dbraw/zinc/57/93/08/489579308.db2.gz XOHHNQUEJNXFGI-SFHVURJKSA-N -1 3 361.398 0.619 10 0 FCAEHM C[C@]1(c2cccc(C(=O)N[C@H]3CCCCC[C@H]3C(N)=O)c2)NC(=O)[N-]C1=O ZINC000426793177 489582601 /nfs/dbraw/zinc/58/26/01/489582601.db2.gz MJJYXOBPKUZYMD-BIENJYKASA-N -1 3 372.425 0.905 10 0 FCAEHM COC1CCC(CNC(=O)C[N-]S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000426872774 489585641 /nfs/dbraw/zinc/58/56/41/489585641.db2.gz BIEDWCMDWGLQQO-UHFFFAOYSA-N -1 3 358.464 0.328 10 0 FCAEHM C[C@@H]1C[C@H]1N1C[C@@H]([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)CC1=O ZINC000416417984 489591345 /nfs/dbraw/zinc/59/13/45/489591345.db2.gz ZIYTXWLAOMGPTL-VHSKPIJISA-N -1 3 369.374 0.548 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC(F)(F)C[C@@H]2CO)ccc1F ZINC000372554180 489598981 /nfs/dbraw/zinc/59/89/81/489598981.db2.gz OLMWKBACMDUREL-SECBINFHSA-N -1 3 352.334 0.576 10 0 FCAEHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-][C@@H](CF)C(=O)OC ZINC000416487573 489600613 /nfs/dbraw/zinc/60/06/13/489600613.db2.gz LTVXNKGNDDBMPV-QMMMGPOBSA-N -1 3 353.755 0.916 10 0 FCAEHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]CCc2cn(C)cn2)s1 ZINC000416536022 489607121 /nfs/dbraw/zinc/60/71/21/489607121.db2.gz OKFZWMIKPPVJNE-UHFFFAOYSA-N -1 3 359.429 0.798 10 0 FCAEHM O=S(=O)([N-]C[C@H](O)Cn1ccnn1)c1ccc(C(F)(F)F)cc1F ZINC000416551534 489609341 /nfs/dbraw/zinc/60/93/41/489609341.db2.gz SGFJQFZLDNMAOP-VIFPVBQESA-N -1 3 368.312 0.775 10 0 FCAEHM C[C@@H](Cc1cnn(C)c1)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000456475949 489618288 /nfs/dbraw/zinc/61/82/88/489618288.db2.gz GYRZIIHEPBTIFD-RYUDHWBXSA-N -1 3 368.434 0.973 10 0 FCAEHM CCOC(=O)C[C@H]1C[C@H](OC)CN1C(=O)CNC(=O)c1cccc([O-])c1 ZINC000427811114 489621797 /nfs/dbraw/zinc/62/17/97/489621797.db2.gz KVTAOCHDMBPCNI-HIFRSBDPSA-N -1 3 364.398 0.691 10 0 FCAEHM C[C@H]1CN(C(=O)CC[N-]S(=O)(=O)c2ccccc2F)CCN1CCO ZINC000428544846 489652667 /nfs/dbraw/zinc/65/26/67/489652667.db2.gz KMSYOQJPVVRVGE-ZDUSSCGKSA-N -1 3 373.450 0.019 10 0 FCAEHM CNS(=O)(=O)c1ccc(O)c([N-]S(=O)(=O)N2CCC[C@@H](C)C2)c1 ZINC000563790940 491269134 /nfs/dbraw/zinc/26/91/34/491269134.db2.gz OQWBHAXUDKAYQP-SNVBAGLBSA-N -1 3 363.461 0.689 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)CNC(=O)COc2ccccc2)nc1=N ZINC000570886964 491271635 /nfs/dbraw/zinc/27/16/35/491271635.db2.gz QLASTZNYPXAVEG-ZDUSSCGKSA-N -1 3 358.402 0.086 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1 ZINC000489372128 489708320 /nfs/dbraw/zinc/70/83/20/489708320.db2.gz LAJNHYOIAQTQJA-UHFFFAOYSA-N -1 3 368.275 0.776 10 0 FCAEHM C[C@]1(c2cccc(NC(=O)C3CN(CC(F)F)C3)c2)NC(=O)[N-]C1=O ZINC000469523321 489710699 /nfs/dbraw/zinc/71/06/99/489710699.db2.gz HAHIUJMBEMAHFR-MRXNPFEDSA-N -1 3 352.341 0.877 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-]CC[C@H](O)C(F)(F)F)cnc1C ZINC000489480922 489713250 /nfs/dbraw/zinc/71/32/50/489713250.db2.gz PUWCIPZGMZYLCS-JTQLQIEISA-N -1 3 356.322 0.768 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CC3(CCCC3)OC(C)(C)C2)c1 ZINC000375579011 489721012 /nfs/dbraw/zinc/72/10/12/489721012.db2.gz QMZCFKLNJFCAQB-UHFFFAOYSA-N -1 3 370.475 0.649 10 0 FCAEHM CCOC(=O)C[C@@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000473084688 489736940 /nfs/dbraw/zinc/73/69/40/489736940.db2.gz HEEAABJTSMKIPI-MNOVXSKESA-N -1 3 360.407 0.950 10 0 FCAEHM C[C@@](O)(C[N-]S(=O)(=O)C1CN(C(=O)c2ccccc2)C1)C(F)(F)F ZINC000376614007 489761117 /nfs/dbraw/zinc/76/11/17/489761117.db2.gz CKISWIHWCQZJKX-CYBMUJFWSA-N -1 3 366.361 0.744 10 0 FCAEHM COc1nc(NC(=O)CC[S@@](=O)c2ccc3c(c2)OCCO3)n[n-]1 ZINC000490621492 489777488 /nfs/dbraw/zinc/77/74/88/489777488.db2.gz IYUWNPGQEDVRSO-XMMPIXPASA-N -1 3 352.372 0.721 10 0 FCAEHM COc1nnc(NC(=O)CC[S@@](=O)c2ccc3c(c2)OCCO3)[n-]1 ZINC000490621492 489777493 /nfs/dbraw/zinc/77/74/93/489777493.db2.gz IYUWNPGQEDVRSO-XMMPIXPASA-N -1 3 352.372 0.721 10 0 FCAEHM COc1n[n-]c(NC(=O)CC[S@@](=O)c2ccc3c(c2)OCCO3)n1 ZINC000490621492 489777500 /nfs/dbraw/zinc/77/75/00/489777500.db2.gz IYUWNPGQEDVRSO-XMMPIXPASA-N -1 3 352.372 0.721 10 0 FCAEHM COc1nn(C)cc1NC(=O)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000474699259 489781199 /nfs/dbraw/zinc/78/11/99/489781199.db2.gz WIQLLWMLCQYQPL-NSHDSACASA-N -1 3 358.358 0.823 10 0 FCAEHM O=C(c1ccc(-c2nc(C3CC3)no2)cc1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000490872410 489787539 /nfs/dbraw/zinc/78/75/39/489787539.db2.gz LHRKWTXZJVOTEJ-CYBMUJFWSA-N -1 3 367.365 0.990 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)C(C)(C)O ZINC000682001040 493259372 /nfs/dbraw/zinc/25/93/72/493259372.db2.gz KWSUOPKNYKFDAZ-SNVBAGLBSA-N -1 3 350.462 0.375 10 0 FCAEHM COc1nn(C)cc1NC(=O)NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000474983195 489797881 /nfs/dbraw/zinc/79/78/81/489797881.db2.gz BPJKCGZAUSXDDP-KRWDZBQOSA-N -1 3 372.385 0.805 10 0 FCAEHM CN1CCN(C(=O)C2CCN(C(=O)/C=C/c3cncc([O-])c3)CC2)CC1 ZINC000376827499 489802073 /nfs/dbraw/zinc/80/20/73/489802073.db2.gz IYXWMEUCFMJUOF-NSCUHMNNSA-N -1 3 358.442 0.813 10 0 FCAEHM Cc1nc([C@](C)([N-]S(=O)(=O)CCCS(C)(=O)=O)C2CC2)no1 ZINC000432295569 489836266 /nfs/dbraw/zinc/83/62/66/489836266.db2.gz WQDLUIGJPABSCO-GFCCVEGCSA-N -1 3 351.450 0.357 10 0 FCAEHM C[C@@](O)(CO)CNC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000432356273 489839117 /nfs/dbraw/zinc/83/91/17/489839117.db2.gz HMEAEPRQTGQUFS-AWEZNQCLSA-N -1 3 361.395 0.131 10 0 FCAEHM NS(=O)(=O)CCCNC(=O)Cc1ccc(Br)cc1[O-] ZINC000432418957 489841127 /nfs/dbraw/zinc/84/11/27/489841127.db2.gz XTQDMEBFHZVZHN-UHFFFAOYSA-N -1 3 351.222 0.492 10 0 FCAEHM C[C@H]1CCCc2nc(S(=O)(=O)[N-]CC(C)(C)NS(C)(=O)=O)cn21 ZINC000668118595 493318693 /nfs/dbraw/zinc/31/86/93/493318693.db2.gz DQEDUAAUQLYBFG-JTQLQIEISA-N -1 3 364.493 0.387 10 0 FCAEHM CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000432661467 489851278 /nfs/dbraw/zinc/85/12/78/489851278.db2.gz WHIPAKGOLHCNQM-NSHDSACASA-N -1 3 352.420 0.565 10 0 FCAEHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)Cc1noc(C)n1 ZINC000493887860 489861494 /nfs/dbraw/zinc/86/14/94/489861494.db2.gz IEYCQCJEELALTG-UHFFFAOYSA-N -1 3 374.444 0.497 10 0 FCAEHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(CN(C)C)cc1)c1ccn(C)n1 ZINC000433358185 489879437 /nfs/dbraw/zinc/87/94/37/489879437.db2.gz YWTDWCALTSMMII-OAHLLOKOSA-N -1 3 366.443 0.674 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NC[C@]1(CCO)CCOC1 ZINC000476310581 489879510 /nfs/dbraw/zinc/87/95/10/489879510.db2.gz OHBUGACQQXTANU-RISCZKNCSA-N -1 3 362.473 0.320 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-]Cc2cc(C(N)=O)co2)s1 ZINC000494349652 489885257 /nfs/dbraw/zinc/88/52/57/489885257.db2.gz OLKWITXAMHVKEF-UHFFFAOYSA-N -1 3 357.413 0.555 10 0 FCAEHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]Cc1cc(C(N)=O)co1 ZINC000494365623 489886381 /nfs/dbraw/zinc/88/63/81/489886381.db2.gz HEPJOIDPSHQWKL-UHFFFAOYSA-N -1 3 356.331 0.783 10 0 FCAEHM COCC[C@H](COC)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000461262254 489900736 /nfs/dbraw/zinc/90/07/36/489900736.db2.gz GCPUSQQCDFJCMY-WDEREUQCSA-N -1 3 350.462 0.583 10 0 FCAEHM COc1nn(C)cc1NC(=O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000476579129 489901473 /nfs/dbraw/zinc/90/14/73/489901473.db2.gz WOLJHPKKERDNJM-UHFFFAOYSA-N -1 3 356.379 0.875 10 0 FCAEHM CCN(CC(N)=O)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000476853896 489920255 /nfs/dbraw/zinc/92/02/55/489920255.db2.gz RPDLVWCVCDACCM-UHFFFAOYSA-N -1 3 368.390 0.902 10 0 FCAEHM CC1(C(N)=O)CN(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C1 ZINC000564081114 491287447 /nfs/dbraw/zinc/28/74/47/491287447.db2.gz KIHHJVXMGVQLDE-UHFFFAOYSA-N -1 3 370.406 0.606 10 0 FCAEHM COCCN1CC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000377579566 489925156 /nfs/dbraw/zinc/92/51/56/489925156.db2.gz DYMFLBKUWCOXPQ-ZBFHGGJFSA-N -1 3 361.442 0.834 10 0 FCAEHM C/C=C/C[C@@H]([N-]S(=O)(=O)N1CCC(C(=O)OC)CC1)C(=O)OCC ZINC000477133808 489945424 /nfs/dbraw/zinc/94/54/24/489945424.db2.gz GACNLTVFLPVJSX-DIECRNLCSA-N -1 3 362.448 0.604 10 0 FCAEHM C/C=C\C[C@@H]([N-]S(=O)(=O)N1CCC(C(=O)OC)CC1)C(=O)OCC ZINC000477133810 489945689 /nfs/dbraw/zinc/94/56/89/489945689.db2.gz GACNLTVFLPVJSX-RYWCDNDXSA-N -1 3 362.448 0.604 10 0 FCAEHM Cc1ccn2c(c1)nnc2[N-]C(=O)C(=O)N1CCN(c2ccccc2)CC1 ZINC000462180015 489962269 /nfs/dbraw/zinc/96/22/69/489962269.db2.gz TYHLLYFSTMROIF-UHFFFAOYSA-N -1 3 364.409 1.325 10 0 FCAEHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)CCCS(C)(=O)=O)o1 ZINC000462324689 489969534 /nfs/dbraw/zinc/96/95/34/489969534.db2.gz DEKIYHXMNADHGC-GFCCVEGCSA-N -1 3 353.462 0.884 10 0 FCAEHM Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)NN1CC(=O)[N-]C1=O)CC2 ZINC000378101560 490010012 /nfs/dbraw/zinc/01/00/12/490010012.db2.gz JCSDLAISAABYSB-ZETCQYMHSA-N -1 3 357.292 0.492 10 0 FCAEHM CN(C)c1nc(C(=O)Nc2cccc([C@@]3(C)NC(=O)NC3=O)c2)cc(=O)[n-]1 ZINC000463324880 490010352 /nfs/dbraw/zinc/01/03/52/490010352.db2.gz JCAYOHLURVGOFP-QGZVFWFLSA-N -1 3 370.369 0.555 10 0 FCAEHM Cc1ccc(C(=O)NCCNC(=O)c2cc(=O)[n-]c(N(C)C)n2)cc1F ZINC000463336048 490010848 /nfs/dbraw/zinc/01/08/48/490010848.db2.gz NDOQSCLRGGSNRS-UHFFFAOYSA-N -1 3 361.377 0.856 10 0 FCAEHM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436817318 490013257 /nfs/dbraw/zinc/01/32/57/490013257.db2.gz AIKIJDOXLAPRQM-ZJUUUORDSA-N -1 3 365.386 0.537 10 0 FCAEHM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000436822606 490013618 /nfs/dbraw/zinc/01/36/18/490013618.db2.gz PVBNBKJRTGTNTL-ZJUUUORDSA-N -1 3 368.386 0.596 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@@H]1CCc2nnnn2CC1 ZINC000420745960 490017169 /nfs/dbraw/zinc/01/71/69/490017169.db2.gz DZWYWTIRMOBEAP-SNVBAGLBSA-N -1 3 369.403 0.353 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)c2ccc3c(c2)C(=O)N(C)C3=O)nc1=N ZINC000571229194 491294424 /nfs/dbraw/zinc/29/44/24/491294424.db2.gz XOBLBXZVQASIMU-GFCCVEGCSA-N -1 3 354.370 0.431 10 0 FCAEHM COc1cccc(CNC(=O)NCC[N-]S(=O)(=O)c2cccs2)n1 ZINC000437429940 490023411 /nfs/dbraw/zinc/02/34/11/490023411.db2.gz QQKWXQGFVRXMPV-UHFFFAOYSA-N -1 3 370.456 0.929 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)N2CC[C@H](O)C2(C)C)ccc1F ZINC000463973741 490034914 /nfs/dbraw/zinc/03/49/14/490034914.db2.gz UGSUFPTYLDKMAF-LBPRGKRZSA-N -1 3 373.406 0.044 10 0 FCAEHM CN1C(=O)C(=O)N(CC(=O)Nc2ccc(OC(F)(F)F)cc2[O-])C1=O ZINC000442930647 490061646 /nfs/dbraw/zinc/06/16/46/490061646.db2.gz ZPSSTNVIKKQLEM-UHFFFAOYSA-N -1 3 361.232 0.650 10 0 FCAEHM COC(=O)c1ccc([C@H](NC(=O)C[C@@H]2NC(=O)[N-]C2=O)C(F)(F)F)cc1 ZINC000479096495 490065928 /nfs/dbraw/zinc/06/59/28/490065928.db2.gz FZSALPLSMUZSDZ-ONGXEEELSA-N -1 3 373.287 0.791 10 0 FCAEHM CC(C)OC(=O)[C@H](C)C[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000479222191 490075347 /nfs/dbraw/zinc/07/53/47/490075347.db2.gz MLOSQKDRUDOOTF-LLVKDONJSA-N -1 3 363.457 0.956 10 0 FCAEHM CCO[C@@H]1C[C@]([N-]S(=O)(=O)N(C)CCOC)(C(=O)OC)C1(C)C ZINC000444274388 490079248 /nfs/dbraw/zinc/07/92/48/490079248.db2.gz AWHXKPSINHRMFG-RISCZKNCSA-N -1 3 352.453 0.146 10 0 FCAEHM CCO[C@@H]1C[C@]([N-]S(=O)(=O)c2cn(CC)cn2)(C(=O)OC)C1(C)C ZINC000444281078 490081120 /nfs/dbraw/zinc/08/11/20/490081120.db2.gz ZPNOIUMOWPKRCS-ABAIWWIYSA-N -1 3 359.448 0.928 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1ccc2cccc(Br)c2n1 ZINC000465074487 490081268 /nfs/dbraw/zinc/08/12/68/490081268.db2.gz RQUYSTIAYCLRSX-UHFFFAOYSA-N -1 3 363.171 1.488 10 0 FCAEHM CNC(=O)[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000421956887 490119212 /nfs/dbraw/zinc/11/92/12/490119212.db2.gz YMBWVLMYSIVERX-MRVPVSSYSA-N -1 3 365.864 0.274 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@@H]2CCCN(c3cccnc3)C2=O)nc1Cl ZINC000378652616 490124205 /nfs/dbraw/zinc/12/42/05/490124205.db2.gz VPTTWYMBMYXNOF-LLVKDONJSA-N -1 3 369.834 0.942 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CCCO[C@@H]1CCOC1 ZINC000465487683 490124840 /nfs/dbraw/zinc/12/48/40/490124840.db2.gz ANXWRWIVJBAJLU-GFCCVEGCSA-N -1 3 363.457 0.564 10 0 FCAEHM CN1CC[C@H](NC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)[C@H]1c1ccccc1 ZINC000545434396 490135511 /nfs/dbraw/zinc/13/55/11/490135511.db2.gz MESFMBANARVCID-SOUVJXGZSA-N -1 3 357.414 0.377 10 0 FCAEHM Cc1ccn2c(c1)nnc2NC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000446880453 490168593 /nfs/dbraw/zinc/16/85/93/490168593.db2.gz DEBANHYYSQANPZ-GOSISDBHSA-N -1 3 364.365 1.345 10 0 FCAEHM CCOC(=O)[C@H]([N-]S(=O)(=O)CCN(CC)CC)C1CCOCC1 ZINC000564395918 491305208 /nfs/dbraw/zinc/30/52/08/491305208.db2.gz MCAORYDJIHXZBC-CQSZACIVSA-N -1 3 350.481 0.606 10 0 FCAEHM O=C(NCCCCOCc1ccccc1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000546138709 490194140 /nfs/dbraw/zinc/19/41/40/490194140.db2.gz BMQGPPXQHGUZPG-HNNXBMFYSA-N -1 3 360.414 0.929 10 0 FCAEHM C[C@@H]1CCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C[C@H]1C(=O)[O-] ZINC000571438777 491307985 /nfs/dbraw/zinc/30/79/85/491307985.db2.gz FIPYDSZPAXUEDO-RBSFLKMASA-N -1 3 368.478 0.681 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNS(=O)(=O)N2CCC[C@@H](C)C2)s1 ZINC000408097662 490247231 /nfs/dbraw/zinc/24/72/31/490247231.db2.gz AHTBQGPZYHWNSM-SNVBAGLBSA-N -1 3 367.518 0.723 10 0 FCAEHM COc1cccc(CNC(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)n1 ZINC000498041682 490248955 /nfs/dbraw/zinc/24/89/55/490248955.db2.gz KMSAEDCMQNKYFK-UHFFFAOYSA-N -1 3 366.377 0.978 10 0 FCAEHM O=C(NC[C@H]1CC[C@H](c2ccccc2)O1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000521380379 490254128 /nfs/dbraw/zinc/25/41/28/490254128.db2.gz JEYAPDGJXGYDHC-RBSFLKMASA-N -1 3 358.398 0.852 10 0 FCAEHM CCn1cc(-c2n[nH]cc2C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)cn1 ZINC000447750011 490264851 /nfs/dbraw/zinc/26/48/51/490264851.db2.gz GNYZQQBUJQGRDB-MRXNPFEDSA-N -1 3 357.374 0.107 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCNC[C@@H]2c2cccnc2)cn1 ZINC000571520853 491313025 /nfs/dbraw/zinc/31/30/25/491313025.db2.gz JMMDCTXOCOCEKB-CQSZACIVSA-N -1 3 361.427 0.171 10 0 FCAEHM CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCc2c(=O)[n-]cnc2C1 ZINC000408187634 490270416 /nfs/dbraw/zinc/27/04/16/490270416.db2.gz OYCVKOJKGGNDDQ-ZDUSSCGKSA-N -1 3 354.432 0.271 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)NCc2cscn2)ccc1F ZINC000498300134 490281626 /nfs/dbraw/zinc/28/16/26/490281626.db2.gz VJGBCCCOAAACQD-UHFFFAOYSA-N -1 3 372.403 0.445 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CCNC[C@@H]1C(F)F ZINC000521877074 490306476 /nfs/dbraw/zinc/30/64/76/490306476.db2.gz VZNMLSNWGNGVGP-SECBINFHSA-N -1 3 353.416 0.482 10 0 FCAEHM Cc1nc(C)c(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2NS(C)(=O)=O)s1 ZINC000408371675 490318304 /nfs/dbraw/zinc/31/83/04/490318304.db2.gz CRSWMYFIOZRJMM-QWRGUYRKSA-N -1 3 367.518 0.899 10 0 FCAEHM C[C@@H]1CCCN(S(=O)(=O)[N-][C@H]2CCCN(c3ccnn3C)C2=O)C1 ZINC000408386171 490322864 /nfs/dbraw/zinc/32/28/64/490322864.db2.gz NZJUHUZRYPTMHZ-OLZOCXBDSA-N -1 3 355.464 0.482 10 0 FCAEHM CC1(C)Cc2ccc(C(=O)N3CC[C@H](NS(C)(=O)=O)C3)c([O-])c2O1 ZINC000408408389 490328801 /nfs/dbraw/zinc/32/88/01/490328801.db2.gz OQBYBFQXBGLMEX-NSHDSACASA-N -1 3 354.428 0.869 10 0 FCAEHM COc1ccc(NC(=O)C[N-]S(=O)(=O)c2cn(C)c(C)n2)cc1CO ZINC000534259205 490336780 /nfs/dbraw/zinc/33/67/80/490336780.db2.gz LPBXOAYYHFZKFG-UHFFFAOYSA-N -1 3 368.415 0.146 10 0 FCAEHM Nc1nsc(N2CCN(C(=O)c3cc(=O)c4ccccc4[n-]3)CC2)n1 ZINC000467865678 490347489 /nfs/dbraw/zinc/34/74/89/490347489.db2.gz GEJAPQNQBYKKTQ-UHFFFAOYSA-N -1 3 356.411 0.924 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CCN1CCN(C(=O)C2CCC2)CC1 ZINC000522162088 490347762 /nfs/dbraw/zinc/34/77/62/490347762.db2.gz RLWQIZBDPVVGTQ-UHFFFAOYSA-N -1 3 370.475 0.514 10 0 FCAEHM COc1cc2c(cc1OC)CCN(C(=O)c1[nH]c(=O)[n-]c(=O)c1N)CC2 ZINC000468035929 490357354 /nfs/dbraw/zinc/35/73/54/490357354.db2.gz IOCBLWNJNQFYKD-UHFFFAOYSA-N -1 3 360.370 0.728 10 0 FCAEHM COc1cc(NC(=O)NCc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)nn1C ZINC000547838346 490365014 /nfs/dbraw/zinc/36/50/14/490365014.db2.gz RREYOECNIAMNLS-QGZVFWFLSA-N -1 3 372.385 0.805 10 0 FCAEHM CNC(=O)c1nn[n-]c1NC(=O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000411094335 490386461 /nfs/dbraw/zinc/38/64/61/490386461.db2.gz DXWZHAFTEPGJNG-ZETCQYMHSA-N -1 3 364.312 0.434 10 0 FCAEHM CNC(=O)c1[n-]nnc1NC(=O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000411094335 490386468 /nfs/dbraw/zinc/38/64/68/490386468.db2.gz DXWZHAFTEPGJNG-ZETCQYMHSA-N -1 3 364.312 0.434 10 0 FCAEHM CNC(=O)c1n[n-]nc1NC(=O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000411094335 490386475 /nfs/dbraw/zinc/38/64/75/490386475.db2.gz DXWZHAFTEPGJNG-ZETCQYMHSA-N -1 3 364.312 0.434 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]C[C@@H](Oc2ccc(F)cc2)C(=O)OC)c1 ZINC000534634505 490390720 /nfs/dbraw/zinc/39/07/20/490390720.db2.gz KRDDWIARDLEYEH-CYBMUJFWSA-N -1 3 371.390 0.941 10 0 FCAEHM COc1c(C)cc(C)cc1S(=O)(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000509203919 490402538 /nfs/dbraw/zinc/40/25/38/490402538.db2.gz TWZWNUXIVCFKCA-NSHDSACASA-N -1 3 353.400 0.237 10 0 FCAEHM COC(=O)c1ccc(C(=O)Nc2ccc3c(c2)CN(CC(N)=O)CC3)[n-]1 ZINC000509225140 490405931 /nfs/dbraw/zinc/40/59/31/490405931.db2.gz MKPFLDLYPKUNNF-UHFFFAOYSA-N -1 3 356.382 0.897 10 0 FCAEHM Cc1nc(CN2CCN(C(=O)c3nc4ccccc4c(=O)[n-]3)CC2)n[nH]1 ZINC000522871329 490414970 /nfs/dbraw/zinc/41/49/70/490414970.db2.gz LTHSFDQMKAEUHK-UHFFFAOYSA-N -1 3 353.386 0.308 10 0 FCAEHM COc1cc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc(OC)c1[O-] ZINC000556666388 491326158 /nfs/dbraw/zinc/32/61/58/491326158.db2.gz GXQYVYBEMVRDTC-UHFFFAOYSA-N -1 3 366.395 0.987 10 0 FCAEHM O=C([N-]c1nccn1-c1ccccc1)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000411351838 490437195 /nfs/dbraw/zinc/43/71/95/490437195.db2.gz GKBZZYDZLRDGGS-HNNXBMFYSA-N -1 3 355.398 0.354 10 0 FCAEHM C[C@]1(c2ccc(CNC(=O)c3cn4cccnc4n3)cc2)NC(=O)[N-]C1=O ZINC000523561749 490474887 /nfs/dbraw/zinc/47/48/87/490474887.db2.gz YLRRAYDTOWFLPR-GOSISDBHSA-N -1 3 364.365 0.714 10 0 FCAEHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]C1CCC(C(N)=O)CC1 ZINC000535357914 490483344 /nfs/dbraw/zinc/48/33/44/490483344.db2.gz WZHSIJNRWIWOLX-UHFFFAOYSA-N -1 3 358.391 0.935 10 0 FCAEHM O=C(CNC(=O)Cc1ccc(O)cc1)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000510027071 490485449 /nfs/dbraw/zinc/48/54/49/490485449.db2.gz GETRNTDPLRMVSC-UHFFFAOYSA-N -1 3 366.381 0.794 10 0 FCAEHM O=C(CNC(=O)Cc1ccc(O)cc1)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000510027071 490485451 /nfs/dbraw/zinc/48/54/51/490485451.db2.gz GETRNTDPLRMVSC-UHFFFAOYSA-N -1 3 366.381 0.794 10 0 FCAEHM O=S(=O)(CCCN1CCOCC1)[N-]Cc1noc(-c2ccccc2)n1 ZINC000510067942 490489108 /nfs/dbraw/zinc/48/91/08/490489108.db2.gz BHDNUIMDONBXHY-UHFFFAOYSA-N -1 3 366.443 0.878 10 0 FCAEHM C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000548493673 490492311 /nfs/dbraw/zinc/49/23/11/490492311.db2.gz WQCRZVYZSYWRLG-UWVGGRQHSA-N -1 3 368.381 0.888 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C[C@@H](O)COc2ccc3c(c2)OCO3)nc1=N ZINC000450907901 490497856 /nfs/dbraw/zinc/49/78/56/490497856.db2.gz GSHWBSYLFNANAN-DGCLKSJQSA-N -1 3 361.402 0.533 10 0 FCAEHM CC(C)[C@H]1C[C@H](CNC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)CCO1 ZINC000571853123 491332870 /nfs/dbraw/zinc/33/28/70/491332870.db2.gz ORDHEYGXTKNIBS-CHWSQXEVSA-N -1 3 358.464 0.266 10 0 FCAEHM COCCN1CCC[C@H]1C[N-]S(=O)(=O)c1cccnc1C(=O)OC ZINC000451167940 490523987 /nfs/dbraw/zinc/52/39/87/490523987.db2.gz YCWGZJKLVPVEEV-LBPRGKRZSA-N -1 3 357.432 0.257 10 0 FCAEHM Cc1ccc2c(CCNC(=O)N3CCN4C(=O)[N-]C(=O)[C@H]4C3)cn(C)c2c1 ZINC000548693469 490531004 /nfs/dbraw/zinc/53/10/04/490531004.db2.gz MJJYYDFRLBUXCU-MRXNPFEDSA-N -1 3 369.425 0.975 10 0 FCAEHM CCOC(=O)CC[C@H](C)NC(=O)N1CCC[C@@H]1C[C@@]1(C)NC(=O)[N-]C1=O ZINC000500525266 490531398 /nfs/dbraw/zinc/53/13/98/490531398.db2.gz NJNLUOZXRSZWPH-XWCIJXRUSA-N -1 3 368.434 0.880 10 0 FCAEHM CCN1CCN(CC(=O)Nc2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)CC1 ZINC000535829429 490534855 /nfs/dbraw/zinc/53/48/55/490534855.db2.gz LWLHDPRNIYGZFX-HNNXBMFYSA-N -1 3 359.430 0.013 10 0 FCAEHM CCOCCOC[C@@H](O)CNC(=O)c1c[n-]c2cc(OC)ccc2c1=O ZINC000485643764 490550796 /nfs/dbraw/zinc/55/07/96/490550796.db2.gz MIYHEKURRUTYCJ-LBPRGKRZSA-N -1 3 364.398 0.681 10 0 FCAEHM COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NCc1ncccc1[O-] ZINC000548985590 490559197 /nfs/dbraw/zinc/55/91/97/490559197.db2.gz XGARHFGRSVHTDZ-UHFFFAOYSA-N -1 3 372.424 0.678 10 0 FCAEHM COC(=O)[C@@]1([N-]S(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)CCOC1 ZINC000501024118 490569175 /nfs/dbraw/zinc/56/91/75/490569175.db2.gz NRHIDMZKVVBJMW-CYBMUJFWSA-N -1 3 374.806 0.302 10 0 FCAEHM CCOC(=O)[C@@H](NC(=O)c1cc(=O)[n-]c(N(C)C)n1)C1CCOCC1 ZINC000549259315 490571524 /nfs/dbraw/zinc/57/15/24/490571524.db2.gz QPSSGEIUCMZQMH-ZDUSSCGKSA-N -1 3 352.391 0.336 10 0 FCAEHM C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000549258172 490571920 /nfs/dbraw/zinc/57/19/20/490571920.db2.gz VLSFPUDXNRLKPE-NSHDSACASA-N -1 3 368.397 0.777 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)c1 ZINC000511329962 490581324 /nfs/dbraw/zinc/58/13/24/490581324.db2.gz WYTISUAIYKVBKB-VXGBXAGGSA-N -1 3 364.493 0.289 10 0 FCAEHM COC(=O)CNC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000511407554 490592290 /nfs/dbraw/zinc/59/22/90/490592290.db2.gz QYSJMRRKCVQFBB-UHFFFAOYSA-N -1 3 358.397 0.722 10 0 FCAEHM Cc1cc(CC[N-]S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)on1 ZINC000511414379 490593087 /nfs/dbraw/zinc/59/30/87/490593087.db2.gz WYSVJSFQEALYTG-UHFFFAOYSA-N -1 3 373.456 0.754 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)Cn2cc(-c3ccccc3)nn2)nc1=N ZINC000549723746 490596201 /nfs/dbraw/zinc/59/62/01/490596201.db2.gz CSCFUESEZAGDHC-CQSZACIVSA-N -1 3 352.402 0.850 10 0 FCAEHM COCCN1CCC[C@@H]1C[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000549743504 490598831 /nfs/dbraw/zinc/59/88/31/490598831.db2.gz FGOATRLJSAAMML-SNVBAGLBSA-N -1 3 370.397 0.828 10 0 FCAEHM CO[C@H](C)CN(C(=O)Cn1cc(Br)c(=O)[n-]c1=O)C(C)C ZINC000525391492 490602413 /nfs/dbraw/zinc/60/24/13/490602413.db2.gz LBPOTECBNVEYDL-SECBINFHSA-N -1 3 362.224 0.983 10 0 FCAEHM COC(=O)[C@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000511816703 490630390 /nfs/dbraw/zinc/63/03/90/490630390.db2.gz JBDSXVBPIGDMMF-QMMMGPOBSA-N -1 3 366.848 0.701 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CC(=O)N(C)C2)cc1OC ZINC000511933200 490640209 /nfs/dbraw/zinc/64/02/09/490640209.db2.gz FIMWGGQQUFASNR-UHFFFAOYSA-N -1 3 356.404 0.720 10 0 FCAEHM CC(C)(C)[C@@H](O)C[C@H](CO)NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000511974373 490646471 /nfs/dbraw/zinc/64/64/71/490646471.db2.gz RMCWFDXDGBTIIL-KGLIPLIRSA-N -1 3 358.460 0.946 10 0 FCAEHM C[C@@H]1OCC[C@@H]1S(=O)(=O)NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000526943553 490686954 /nfs/dbraw/zinc/68/69/54/490686954.db2.gz RSTYVCFFHNJPTE-YNZJMPHRSA-N -1 3 367.427 0.338 10 0 FCAEHM CC[C@@H](C)C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]C)nc1)C(=O)OC ZINC000565020710 491346208 /nfs/dbraw/zinc/34/62/08/491346208.db2.gz PCAQYLKGELRMJN-ZYHUDNBSSA-N -1 3 357.432 0.697 10 0 FCAEHM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000487333248 490705122 /nfs/dbraw/zinc/70/51/22/490705122.db2.gz FVIAFRGZOIWOQV-MNOVXSKESA-N -1 3 360.407 0.869 10 0 FCAEHM COc1ccc([C@@H](C)NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)cc1F ZINC000502471825 490705608 /nfs/dbraw/zinc/70/56/08/490705608.db2.gz ZDTQYRACGBUOKW-SNVBAGLBSA-N -1 3 370.406 0.724 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2Cc2cc(Cl)cc(S(N)(=O)=O)c2)nc1=N ZINC000565049678 491348123 /nfs/dbraw/zinc/34/81/23/491348123.db2.gz RSCGIQUBMNDRFL-GFCCVEGCSA-N -1 3 370.866 0.866 10 0 FCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1sccc1OC ZINC000487341743 490706376 /nfs/dbraw/zinc/70/63/76/490706376.db2.gz XPLJJGFLPCNSTQ-DTWKUNHWSA-N -1 3 364.445 0.491 10 0 FCAEHM CCc1cccc(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c1[O-] ZINC000538751820 490747567 /nfs/dbraw/zinc/74/75/67/490747567.db2.gz QAQRJXNMDQLNSG-UHFFFAOYSA-N -1 3 361.442 0.571 10 0 FCAEHM Cn1cc(N2CCC[C@H]([N-]S(=O)(=O)c3cn4c(n3)CCCC4)C2)cn1 ZINC000503502757 490759716 /nfs/dbraw/zinc/75/97/16/490759716.db2.gz FQZAGXMOXOAQFJ-ZDUSSCGKSA-N -1 3 364.475 0.900 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-][C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 ZINC000528286440 490785510 /nfs/dbraw/zinc/78/55/10/490785510.db2.gz NAPMXRDUVJOGLR-STQMWFEESA-N -1 3 351.421 0.620 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)CNS(=O)(=O)c2ccccc2)n[n-]1 ZINC000514821754 490791079 /nfs/dbraw/zinc/79/10/79/490791079.db2.gz HVHYEZRMIVOKOS-UHFFFAOYSA-N -1 3 360.399 0.727 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)CNS(=O)(=O)c2ccccc2)[n-]n1 ZINC000514821754 490791082 /nfs/dbraw/zinc/79/10/82/490791082.db2.gz HVHYEZRMIVOKOS-UHFFFAOYSA-N -1 3 360.399 0.727 10 0 FCAEHM CO[C@@H](CS(=O)(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1)c1ccc(F)cc1 ZINC000528367755 490791359 /nfs/dbraw/zinc/79/13/59/490791359.db2.gz RNWGFWZTZQTPBC-STQMWFEESA-N -1 3 371.390 0.079 10 0 FCAEHM NS(=O)(=O)CCCCNC(=O)Cc1ccc(Br)cc1[O-] ZINC000504322114 490795210 /nfs/dbraw/zinc/79/52/10/490795210.db2.gz SJYVIFLNSFQVQK-UHFFFAOYSA-N -1 3 365.249 0.882 10 0 FCAEHM CCn1ncc(C[N-]S(=O)(=O)c2cc(F)ccc2OCCOC)n1 ZINC000528448157 490798499 /nfs/dbraw/zinc/79/84/99/490798499.db2.gz XFYIKRIJIYBFRJ-UHFFFAOYSA-N -1 3 358.395 0.941 10 0 FCAEHM CC(C)c1nc(S(=O)(=O)[N-]C[C@]2(CO)COCC3(CCC3)N2C)c[nH]1 ZINC000528481445 490801967 /nfs/dbraw/zinc/80/19/67/490801967.db2.gz PPSKDAMGFLGNHM-INIZCTEOSA-N -1 3 372.491 0.427 10 0 FCAEHM Cc1csc(S(=O)(=O)[N-]C[C@@]2(CO)COCC3(CCC3)N2C)c1 ZINC000528481975 490802474 /nfs/dbraw/zinc/80/24/74/490802474.db2.gz VBABNSIHRLSVSZ-OAHLLOKOSA-N -1 3 360.501 0.951 10 0 FCAEHM C[C@@H]1CN(CCNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CCO1 ZINC000540961514 490842348 /nfs/dbraw/zinc/84/23/48/490842348.db2.gz ZSIHEJKTOQIIJA-GDBMZVCRSA-N -1 3 361.442 0.834 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC000540960105 490842358 /nfs/dbraw/zinc/84/23/58/490842358.db2.gz RKVKKWFVRXIPPW-UKRRQHHQSA-N -1 3 357.410 0.830 10 0 FCAEHM Cc1cc(C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c(C)n1-c1cnccn1 ZINC000529214143 490845794 /nfs/dbraw/zinc/84/57/94/490845794.db2.gz WJEYDIYITFBYEG-SFHVURJKSA-N -1 3 368.397 0.698 10 0 FCAEHM Cc1ccc2c(n1)[n-]cc(C(=O)Nc1nc(N3CCNCC3)n[nH]1)c2=O ZINC000516180271 490855094 /nfs/dbraw/zinc/85/50/94/490855094.db2.gz KXXYDLNMQCFQAQ-UHFFFAOYSA-N -1 3 354.374 0.424 10 0 FCAEHM Cc1ccccc1C(=O)NCC(=O)N1CCC[C@H]1C[C@@]1(C)NC(=O)[N-]C1=O ZINC000516202062 490856698 /nfs/dbraw/zinc/85/66/98/490856698.db2.gz KKPINWZPVSZDMR-ORAYPTAESA-N -1 3 372.425 0.704 10 0 FCAEHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-][C@H](CO)c1ccnn1C ZINC000516315540 490860628 /nfs/dbraw/zinc/86/06/28/490860628.db2.gz NNWVOOXYYCYIAA-SNVBAGLBSA-N -1 3 373.818 0.872 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2c(C(=O)NC[C@H](O)[C@H]3CCCO3)cc(C3CC3)nc21 ZINC000529759632 490875097 /nfs/dbraw/zinc/87/50/97/490875097.db2.gz AFFBDYHMFYORMU-QWHCGFSZSA-N -1 3 374.397 0.181 10 0 FCAEHM CC(C)[C@H]1CN(C(=O)CN2CC(=O)[N-]C2=O)CCN1Cc1ccccc1 ZINC000529803901 490877722 /nfs/dbraw/zinc/87/77/22/490877722.db2.gz MHBGGEHEAQUBSM-MRXNPFEDSA-N -1 3 358.442 0.907 10 0 FCAEHM CC[C@@]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)(C(N)=O)C(C)C ZINC000541914096 490878431 /nfs/dbraw/zinc/87/84/31/490878431.db2.gz JRLRTMLTWCTCNW-AWEZNQCLSA-N -1 3 362.473 0.659 10 0 FCAEHM COc1ccc(CN2CC[C@H]2CNC(=O)CC[C@H]2NC(=O)[N-]C2=O)cc1 ZINC000529830618 490878674 /nfs/dbraw/zinc/87/86/74/490878674.db2.gz JEEGMNJGYCWRTI-DZGCQCFKSA-N -1 3 360.414 0.374 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCc1cc(F)c(Br)cc1F ZINC000529875896 490879836 /nfs/dbraw/zinc/87/98/36/490879836.db2.gz ISOVQUYYSUNYLX-VIFPVBQESA-N -1 3 362.130 0.942 10 0 FCAEHM Cc1nn2cc(S(=O)(=O)[N-]CCCn3ccnn3)cnc2c1Cl ZINC000542241259 490889566 /nfs/dbraw/zinc/88/95/66/490889566.db2.gz IWPQOGILUKTEJC-UHFFFAOYSA-N -1 3 355.811 0.651 10 0 FCAEHM Cc1cc(NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)nn1[C@@H](C)C1CC1 ZINC000542390902 490895354 /nfs/dbraw/zinc/89/53/54/490895354.db2.gz SKYUAZZVHUEALS-NSHDSACASA-N -1 3 366.447 0.813 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)NCc1cccc(CO)n1 ZINC000565207298 491360296 /nfs/dbraw/zinc/36/02/96/491360296.db2.gz YINXQYRDFUNTIE-UHFFFAOYSA-N -1 3 367.402 0.698 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)[C@@H](O)C(=O)OC)c(F)c1 ZINC000530531913 490911089 /nfs/dbraw/zinc/91/10/89/490911089.db2.gz GIEBFJOGYHNQMA-NSHDSACASA-N -1 3 363.363 0.203 10 0 FCAEHM CCN(Cc1cn(C)nn1)C(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000542904376 490915639 /nfs/dbraw/zinc/91/56/39/490915639.db2.gz PINQPPAZXUJFBZ-JTQLQIEISA-N -1 3 357.461 0.592 10 0 FCAEHM COC(=O)[C@@H](c1c(F)cccc1Cl)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000543194419 490924996 /nfs/dbraw/zinc/92/49/96/490924996.db2.gz PKKWCNGRDJDYDQ-CMPLNLGQSA-N -1 3 355.753 0.929 10 0 FCAEHM C[C@](O)(CO)CNC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000517968619 490926667 /nfs/dbraw/zinc/92/66/67/490926667.db2.gz ZDRVLTNQQZZLNR-CQSZACIVSA-N -1 3 374.440 0.293 10 0 FCAEHM COc1cc(OC)c(S(=O)(=O)[N-][C@@H]2CNCCC2(F)F)c(OC)c1 ZINC000518374528 490938458 /nfs/dbraw/zinc/93/84/58/490938458.db2.gz BFVYMBFDRURGTK-GFCCVEGCSA-N -1 3 366.386 0.988 10 0 FCAEHM C/C=C/c1ccc(OCC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)c(OC)c1 ZINC000531143899 490943240 /nfs/dbraw/zinc/94/32/40/490943240.db2.gz CJTDZMZHOGXWQI-ITDFMYJTSA-N -1 3 359.382 0.870 10 0 FCAEHM CN1CCC[C@H](NC(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)C1=O ZINC000531246637 490947998 /nfs/dbraw/zinc/94/79/98/490947998.db2.gz IOIATSACOGNCPB-HNNXBMFYSA-N -1 3 360.414 0.480 10 0 FCAEHM CCN(Cc1cn(C)nn1)C(=O)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000543833325 490949190 /nfs/dbraw/zinc/94/91/90/490949190.db2.gz YAYLARNOIDWNBX-UHFFFAOYSA-N -1 3 368.397 0.435 10 0 FCAEHM Cn1ccnc1CN1CCC[C@H]([N-]S(=O)(=O)C[C@@H]2CCCCO2)C1=O ZINC000543978891 490953953 /nfs/dbraw/zinc/95/39/53/490953953.db2.gz DMFPLVSLKZHDPM-KBPBESRZSA-N -1 3 370.475 0.400 10 0 FCAEHM CC[C@@H](NC(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2C)C(=O)OC ZINC000531464730 490959498 /nfs/dbraw/zinc/95/94/98/490959498.db2.gz PZKRPFKCLWBHMY-SNVBAGLBSA-N -1 3 360.370 0.593 10 0 FCAEHM Cc1ccn(-c2ccccc2CNC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)n1 ZINC000544805692 490982273 /nfs/dbraw/zinc/98/22/73/490982273.db2.gz MBNAGHOAFAOFPM-HNNXBMFYSA-N -1 3 368.397 0.626 10 0 FCAEHM CC(=O)Nc1cccc(NC(=O)CN2CCC[C@@H]2c2nc(=N)n(C)[n-]2)c1 ZINC000519652317 490982467 /nfs/dbraw/zinc/98/24/67/490982467.db2.gz JZKSEOHKUUGJTO-CQSZACIVSA-N -1 3 357.418 0.962 10 0 FCAEHM COc1cccc(C[C@H](C)NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)c1 ZINC000532045168 490984020 /nfs/dbraw/zinc/98/40/20/490984020.db2.gz XRODWSNOJKOGHY-LBPRGKRZSA-N -1 3 366.443 0.454 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000532196264 490989501 /nfs/dbraw/zinc/98/95/01/490989501.db2.gz CSJLDOCLXYJYSK-GHMZBOCLSA-N -1 3 360.457 0.413 10 0 FCAEHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H](C(N)=O)C2)s1 ZINC000532450826 490993043 /nfs/dbraw/zinc/99/30/43/490993043.db2.gz KIPQBTVZLAALSP-RYUDHWBXSA-N -1 3 373.500 0.749 10 0 FCAEHM COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@H](CF)C(=O)OC ZINC000553910874 491163476 /nfs/dbraw/zinc/16/34/76/491163476.db2.gz JFEGXJUUNBODTP-SNVBAGLBSA-N -1 3 353.343 0.640 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)Cc1cnn(C)c1C ZINC000562530549 491171999 /nfs/dbraw/zinc/17/19/99/491171999.db2.gz XRXZKFNCUUDEAK-UHFFFAOYSA-N -1 3 372.472 0.457 10 0 FCAEHM CCN(CC)CCS(=O)(=O)[N-][C@H]1CCCN(c2cccnc2)C1=O ZINC000572412259 491368757 /nfs/dbraw/zinc/36/87/57/491368757.db2.gz YLXWXFMZJNOINP-HNNXBMFYSA-N -1 3 354.476 0.838 10 0 FCAEHM O=S(=O)([N-]C[C@@H](O)COc1ccc2c(c1)OCO2)c1cscn1 ZINC000565477539 491379006 /nfs/dbraw/zinc/37/90/06/491379006.db2.gz MQDUCDPEPCJASQ-SECBINFHSA-N -1 3 358.397 0.590 10 0 FCAEHM CC(C)OCc1nc([C@@H](C)[N-]S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)no1 ZINC000565860606 491403977 /nfs/dbraw/zinc/40/39/77/491403977.db2.gz FITXTNLOBXVBSG-GRYCIOLGSA-N -1 3 362.452 0.999 10 0 FCAEHM Cc1nnnn1-c1ccc(C(=O)N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)cc1 ZINC000573008165 491407224 /nfs/dbraw/zinc/40/72/24/491407224.db2.gz WFIATNAACXZNJL-CYBMUJFWSA-N -1 3 353.390 0.489 10 0 FCAEHM NC(=O)[C@H]1CCCCC[C@H]1NC(=O)C[N-]S(=O)(=O)c1ccccc1F ZINC000565981926 491410584 /nfs/dbraw/zinc/41/05/84/491410584.db2.gz VOZOZXJRFNGRSL-WCQYABFASA-N -1 3 371.434 0.654 10 0 FCAEHM COCCNC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cscn1 ZINC000566169830 491422411 /nfs/dbraw/zinc/42/24/11/491422411.db2.gz HNIKMCYYQCQVQM-ZDUSSCGKSA-N -1 3 369.468 0.795 10 0 FCAEHM COc1nc(NC(=O)CNS(=O)(=O)c2c(C)c(C)cc(C)c2C)n[n-]1 ZINC000566276829 491432141 /nfs/dbraw/zinc/43/21/41/491432141.db2.gz RQJSQLFNOKDCGK-UHFFFAOYSA-N -1 3 367.431 0.964 10 0 FCAEHM COc1nnc(NC(=O)CNS(=O)(=O)c2c(C)c(C)cc(C)c2C)[n-]1 ZINC000566276829 491432144 /nfs/dbraw/zinc/43/21/44/491432144.db2.gz RQJSQLFNOKDCGK-UHFFFAOYSA-N -1 3 367.431 0.964 10 0 FCAEHM COc1n[n-]c(NC(=O)CNS(=O)(=O)c2c(C)c(C)cc(C)c2C)n1 ZINC000566276829 491432146 /nfs/dbraw/zinc/43/21/46/491432146.db2.gz RQJSQLFNOKDCGK-UHFFFAOYSA-N -1 3 367.431 0.964 10 0 FCAEHM O=S(=O)([N-]C[C@H](O)Cn1ccnn1)c1cnccc1C(F)(F)F ZINC000566492469 491448119 /nfs/dbraw/zinc/44/81/19/491448119.db2.gz BZGVDNVHBZOXEU-QMMMGPOBSA-N -1 3 351.310 0.031 10 0 FCAEHM CC(C)[C@@H](C)NC(=O)Cn1cc(I)c(=O)[n-]c1=O ZINC000566498530 491448925 /nfs/dbraw/zinc/44/89/25/491448925.db2.gz HISLVALKGWSLRG-SSDOTTSWSA-N -1 3 365.171 0.714 10 0 FCAEHM COC(=O)CCS(=O)(=O)[N-]c1ccc(F)cc1CS(C)(=O)=O ZINC000566535460 491452155 /nfs/dbraw/zinc/45/21/55/491452155.db2.gz XWSVMUCSKKNLBA-UHFFFAOYSA-N -1 3 353.393 0.675 10 0 FCAEHM C[C@H](C(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1)n1nnc(-c2ccccc2)n1 ZINC000559252769 491458355 /nfs/dbraw/zinc/45/83/55/491458355.db2.gz MBAUMOLXDPEFHU-DGCLKSJQSA-N -1 3 367.417 0.806 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c1 ZINC000566660581 491458737 /nfs/dbraw/zinc/45/87/37/491458737.db2.gz IKHZWFNMMWUSMI-DVZHBHJUSA-N -1 3 350.444 0.369 10 0 FCAEHM Cc1ccc(C(=O)N2CCC[C@H]2c2nc(=N)n(C)[n-]2)cc1S(C)(=O)=O ZINC000559258205 491459023 /nfs/dbraw/zinc/45/90/23/491459023.db2.gz PJFBYSFKUAQKHK-LBPRGKRZSA-N -1 3 363.443 0.917 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)c2cn(C)nn2)cc1F ZINC000573966137 491466054 /nfs/dbraw/zinc/46/60/54/491466054.db2.gz PLOABBRZRQCPAN-UHFFFAOYSA-N -1 3 356.379 0.954 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCc2nc([C@H](N)CC(C)C)no2)cn1C ZINC000573963565 491466105 /nfs/dbraw/zinc/46/61/05/491466105.db2.gz DNWBDWSDNWIBOT-LLVKDONJSA-N -1 3 356.452 0.678 10 0 FCAEHM O=C(Nc1ccc(F)cc1)C1(C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)CC1 ZINC000567439236 491507021 /nfs/dbraw/zinc/50/70/21/491507021.db2.gz NSHTZVODENTREX-GOSISDBHSA-N -1 3 374.372 0.745 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@H]1CCN(c2cc(C)nn2C)C1=O)C1CC1 ZINC000567497289 491510239 /nfs/dbraw/zinc/51/02/39/491510239.db2.gz OZCUUBCZXKZTQH-QWHCGFSZSA-N -1 3 356.448 0.178 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@@H]1CCCN(Cc2ccccn2)C1=O)C1CC1 ZINC000567608927 491517973 /nfs/dbraw/zinc/51/79/73/491517973.db2.gz UTSNQXGTRFRUFY-HZPDHXFCSA-N -1 3 367.471 0.917 10 0 FCAEHM COCCN(C)S(=O)(=O)[N-]c1cnn(CC(=O)NC2CCCC2)c1 ZINC000567740405 491526553 /nfs/dbraw/zinc/52/65/53/491526553.db2.gz WAFSHUFHFYVMDB-UHFFFAOYSA-N -1 3 359.452 0.177 10 0 FCAEHM CCn1nccc1S(=O)(=O)N1CCC[C@H]1C[C@@]1(C)NC(=O)[N-]C1=O ZINC000560471441 491540978 /nfs/dbraw/zinc/54/09/78/491540978.db2.gz JLRGNUQISQHFGQ-IINYFYTJSA-N -1 3 355.420 0.044 10 0 FCAEHM CC[C@H](C)C[C@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1)C(=O)OC ZINC000575805273 491562020 /nfs/dbraw/zinc/56/20/20/491562020.db2.gz ATWULTUVALYDAP-JQWIXIFHSA-N -1 3 374.463 0.101 10 0 FCAEHM CO[C@@H](CS(=O)(=O)NCCCNC(=O)c1cccc([O-])c1)C1CC1 ZINC000568623992 491593051 /nfs/dbraw/zinc/59/30/51/491593051.db2.gz ARHPTSWYKFRWBQ-HNNXBMFYSA-N -1 3 356.444 0.857 10 0 FCAEHM COC(=O)c1c(F)ccc(NC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)c1C ZINC000577151487 491595640 /nfs/dbraw/zinc/59/56/40/491595640.db2.gz CMQFTFLFVZBXRJ-NSHDSACASA-N -1 3 364.333 0.689 10 0 FCAEHM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-][C@H](C[C@H](C)CC)C(=O)OC ZINC000577218578 491603628 /nfs/dbraw/zinc/60/36/28/491603628.db2.gz DUIQNQDFEOOKGP-UPJWGTAASA-N -1 3 364.464 0.826 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@@H]1CCCN(Cc2nccn2C)C1=O)C1CC1 ZINC000576633690 491631894 /nfs/dbraw/zinc/63/18/94/491631894.db2.gz LPXMILCHKQDBQG-ZIAGYGMSSA-N -1 3 370.475 0.256 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]c1cccc(C(=O)NCC(N)=O)c1)C1CC1 ZINC000577631329 491638467 /nfs/dbraw/zinc/63/84/67/491638467.db2.gz PBGQPZHZMKOVQA-CYBMUJFWSA-N -1 3 355.416 0.068 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2c(C(=O)N3CCn4nncc4C3)cc(C3CC3)nc21 ZINC000576836037 491649150 /nfs/dbraw/zinc/64/91/50/491649150.db2.gz DIMBFFSUEKWCRI-UHFFFAOYSA-N -1 3 367.369 0.159 10 0 FCAEHM CN(CC(=O)N1CCNCC1)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000578508042 491678757 /nfs/dbraw/zinc/67/87/57/491678757.db2.gz MIQUKYGPGHNVGZ-UHFFFAOYSA-N -1 3 355.398 0.945 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCOC[C@H]2CC2CCC2)cn1C ZINC000579033374 491689584 /nfs/dbraw/zinc/68/95/84/491689584.db2.gz JESWREQIAQODTF-CQSZACIVSA-N -1 3 370.475 0.424 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)nc1=N ZINC000579646634 491702269 /nfs/dbraw/zinc/70/22/69/491702269.db2.gz RTMUPXJROQVVRA-GRYCIOLGSA-N -1 3 360.418 0.066 10 0 FCAEHM COCC[C@@H](COC)NC(=O)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000579778299 491705221 /nfs/dbraw/zinc/70/52/21/491705221.db2.gz NWXBOFNSOFYSAX-KBPBESRZSA-N -1 3 364.402 0.610 10 0 FCAEHM C[C@@H](O)[C@@H]([N-]S(=O)(=O)CCCN1CCOCC1)c1ccccc1F ZINC000580199454 491721264 /nfs/dbraw/zinc/72/12/64/491721264.db2.gz LXUOGOBWPFAAII-CZUORRHYSA-N -1 3 360.451 0.889 10 0 FCAEHM Cc1ncc(CNC(=O)CC[N-]S(=O)(=O)c2ccccc2F)c(N)n1 ZINC000580776890 491745406 /nfs/dbraw/zinc/74/54/06/491745406.db2.gz YZWCNLIWWIPJLS-UHFFFAOYSA-N -1 3 367.406 0.491 10 0 FCAEHM CCOC(=O)[C@](C)(O)C[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000580860916 491749523 /nfs/dbraw/zinc/74/95/23/491749523.db2.gz NLXXRWMVZIBPOG-CQSZACIVSA-N -1 3 363.388 0.275 10 0 FCAEHM COCCO[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C ZINC000581061180 491757497 /nfs/dbraw/zinc/75/74/97/491757497.db2.gz SSSJZHSYYMWWKG-HZSPNIEDSA-N -1 3 373.475 0.879 10 0 FCAEHM C[C@@H](O)[C@@H]([N-]S(=O)(=O)CCCS(C)(=O)=O)c1ccccc1F ZINC000581135610 491760780 /nfs/dbraw/zinc/76/07/80/491760780.db2.gz INIQQWXBFGEYFZ-ZWNOBZJWSA-N -1 3 353.437 0.602 10 0 FCAEHM Cc1nnnn1-c1ccc(C(=O)N2CCC[C@H]2c2nc(=N)n(C)[n-]2)c(F)c1 ZINC000581196503 491763358 /nfs/dbraw/zinc/76/33/58/491763358.db2.gz VWRAOKKXAYIHTH-ZDUSSCGKSA-N -1 3 371.380 0.628 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2CC(=O)NCc2cc(F)cc(F)c2)nc1=N ZINC000582341814 491808293 /nfs/dbraw/zinc/80/82/93/491808293.db2.gz QGGNEJNZNPKLIS-CYBMUJFWSA-N -1 3 350.373 0.959 10 0 FCAEHM CCOc1ccncc1S(=O)(=O)[N-]CC1(OCCO)CCOCC1 ZINC000582371194 491809774 /nfs/dbraw/zinc/80/97/74/491809774.db2.gz QJOAYUSGMYXJPH-UHFFFAOYSA-N -1 3 360.432 0.317 10 0 FCAEHM COC(=O)C[C@]1([N-]S(=O)(=O)C[C@H](OC)C2CCOCC2)CCOC1 ZINC000592047445 491829446 /nfs/dbraw/zinc/82/94/46/491829446.db2.gz XBQRSRHGOKCUPH-DZGCQCFKSA-N -1 3 365.448 0.070 10 0 FCAEHM COC(=O)[C@H](CC(C)(C)C)[N-]S(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC000592073543 491830331 /nfs/dbraw/zinc/83/03/31/491830331.db2.gz GTLAHMIVHDVENR-NEPJUHHUSA-N -1 3 369.505 0.708 10 0 FCAEHM COC(=O)[C@H](CC(C)(C)C)[N-]S(=O)(=O)N1CCC(C(=O)OC)CC1 ZINC000592075448 491830554 /nfs/dbraw/zinc/83/05/54/491830554.db2.gz KJLWTJAHGXOIFO-LBPRGKRZSA-N -1 3 364.464 0.684 10 0 FCAEHM CC[C@H](C(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1)N1CCO[C@H](CC)C1 ZINC000582909210 491831936 /nfs/dbraw/zinc/83/19/36/491831936.db2.gz IMWIOTIHDRTQRK-MCIONIFRSA-N -1 3 350.467 0.781 10 0 FCAEHM CC[C@H](C(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1)N1CCO[C@H](CC)C1 ZINC000582909211 491832010 /nfs/dbraw/zinc/83/20/10/491832010.db2.gz IMWIOTIHDRTQRK-MGPQQGTHSA-N -1 3 350.467 0.781 10 0 FCAEHM COC(=O)[C@@H]([N-]S(=O)(=O)c1cccc(N(C)C)c1)c1ccnn1C ZINC000592095351 491832141 /nfs/dbraw/zinc/83/21/41/491832141.db2.gz ZLQIZIABZJLEBP-AWEZNQCLSA-N -1 3 352.416 0.679 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)nc1=N ZINC000584117988 491859012 /nfs/dbraw/zinc/85/90/12/491859012.db2.gz BYLSFHULDUVAHH-UPJWGTAASA-N -1 3 374.445 0.456 10 0 FCAEHM Cc1cc(CS(=O)(=O)[N-]C[C@H]2CCCCN2S(C)(=O)=O)on1 ZINC000584307265 491862751 /nfs/dbraw/zinc/86/27/51/491862751.db2.gz WHNISNWTVNNTOB-LLVKDONJSA-N -1 3 351.450 0.217 10 0 FCAEHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000594849237 491866529 /nfs/dbraw/zinc/86/65/29/491866529.db2.gz MJHOKFHFINIQFF-BDAKNGLRSA-N -1 3 367.470 0.779 10 0 FCAEHM COC(=O)C1([N-]S(=O)(=O)[C@@H]2CC(=O)N(C3CC3)C2)CCCCCC1 ZINC000601300400 491902688 /nfs/dbraw/zinc/90/26/88/491902688.db2.gz WYDPFDHXDIVNIC-CYBMUJFWSA-N -1 3 358.460 0.935 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-][C@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000601343381 491906180 /nfs/dbraw/zinc/90/61/80/491906180.db2.gz NDJSVHXUKWNCCM-LBPRGKRZSA-N -1 3 370.402 0.804 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-][C@@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000601342604 491906295 /nfs/dbraw/zinc/90/62/95/491906295.db2.gz ZHHMABJDZPARKI-MRVPVSSYSA-N -1 3 358.338 0.022 10 0 FCAEHM CCC1CCC([N-]S(=O)(=O)C[C@@H]2CN(C)CCO2)(C(=O)OC)CC1 ZINC000601367323 491909419 /nfs/dbraw/zinc/90/94/19/491909419.db2.gz PUCLNYWBYZUCPN-BBBYJDLNSA-N -1 3 362.492 0.748 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-][C@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000601372481 491909823 /nfs/dbraw/zinc/90/98/23/491909823.db2.gz ZIZYRFIQNKFUIT-ZDUSSCGKSA-N -1 3 358.460 0.793 10 0 FCAEHM COCCN1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(C)c(C(=O)OC)o1 ZINC000595318657 491918296 /nfs/dbraw/zinc/91/82/96/491918296.db2.gz TWVFCJPDEPXMEC-GFCCVEGCSA-N -1 3 360.432 0.764 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)N1CC[C@H](N2CCC2)[C@H](F)C1 ZINC000614108877 492015383 /nfs/dbraw/zinc/01/53/83/492015383.db2.gz XFGRXIHZSLDAOY-KGLIPLIRSA-N -1 3 373.425 0.749 10 0 FCAEHM CC(C)(C)OC(=O)[C@H](C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O)C1CC1 ZINC000597579128 492048719 /nfs/dbraw/zinc/04/87/19/492048719.db2.gz CBEWRGUXOYZJDQ-GTNSWQLSSA-N -1 3 351.403 0.555 10 0 FCAEHM CC(C)(C)OC(=O)[C@H](C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O)C1CC1 ZINC000597579126 492048820 /nfs/dbraw/zinc/04/88/20/492048820.db2.gz CBEWRGUXOYZJDQ-APPDUMDISA-N -1 3 351.403 0.555 10 0 FCAEHM COC[C@]1(C(=O)N[C@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])CCOC1 ZINC000614816725 492057443 /nfs/dbraw/zinc/05/74/43/492057443.db2.gz JEHLHYYETBCWKK-XWCIJXRUSA-N -1 3 351.403 0.920 10 0 FCAEHM CCOC(=O)[C@@H](CC(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)C(C)=O ZINC000597670637 492057984 /nfs/dbraw/zinc/05/79/84/492057984.db2.gz BACZZCJOJPKCPT-JTQLQIEISA-N -1 3 363.370 0.680 10 0 FCAEHM CCOc1ccc(-n2ncc(C(=O)NCCCc3cc(=O)[nH][n-]3)c2C)nn1 ZINC000614921709 492064491 /nfs/dbraw/zinc/06/44/91/492064491.db2.gz ILQTZVYLXAUNGM-UHFFFAOYSA-N -1 3 371.401 0.755 10 0 FCAEHM COC(=O)[C@](C)(CCF)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000598275530 492092414 /nfs/dbraw/zinc/09/24/14/492092414.db2.gz MVSSEIXNAIAUGL-RNCFNFMXSA-N -1 3 366.436 0.822 10 0 FCAEHM COC(=O)C(C)(C)n1ccc(NC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)n1 ZINC000598256953 492090942 /nfs/dbraw/zinc/09/09/42/492090942.db2.gz OPSHJMSICPVTNQ-NSHDSACASA-N -1 3 374.463 0.694 10 0 FCAEHM COC(=O)C(C)(C)n1ccc(NC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)n1 ZINC000598256952 492090962 /nfs/dbraw/zinc/09/09/62/492090962.db2.gz OPSHJMSICPVTNQ-LLVKDONJSA-N -1 3 374.463 0.694 10 0 FCAEHM CCOC(=O)c1cc(C(=O)[N-]c2ccn(C(C)(C)C(=O)OC)n2)on1 ZINC000598259444 492091238 /nfs/dbraw/zinc/09/12/38/492091238.db2.gz KXBPEMXYIWSGNK-UHFFFAOYSA-N -1 3 350.331 1.208 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@](C)(CCF)C(=O)OC)c(C)o1 ZINC000598286482 492093002 /nfs/dbraw/zinc/09/30/02/492093002.db2.gz SUFMZHOYDRQEGE-ZDUSSCGKSA-N -1 3 350.368 0.517 10 0 FCAEHM COC(=O)[C@H]1C[C@@H](N(C)C(=O)C[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000598432812 492098103 /nfs/dbraw/zinc/09/81/03/492098103.db2.gz YLTSRDZQYSCBBU-PHIMTYICSA-N -1 3 358.391 0.514 10 0 FCAEHM COC(=O)[C@H]1C[C@@H](N(C)C(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)C1 ZINC000598431800 492098143 /nfs/dbraw/zinc/09/81/43/492098143.db2.gz XOMXUOKRZIEQAJ-GARJFASQSA-N -1 3 360.457 0.825 10 0 FCAEHM CCOC(=O)C12CC(C1)CN2C(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000598449163 492098812 /nfs/dbraw/zinc/09/88/12/492098812.db2.gz RTVHYNKJBYHRKL-NLTNOIMHSA-N -1 3 372.468 0.969 10 0 FCAEHM O=C(NC[C@@H](O)C1CCOCC1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000605889582 492105098 /nfs/dbraw/zinc/10/50/98/492105098.db2.gz QCMMFZUGBQTFHA-NVXWUHKLSA-N -1 3 362.426 0.901 10 0 FCAEHM CC(C)(C)OC(=O)[C@H](CNC(=O)CC[C@@H]1NC(=O)[N-]C1=O)C1CCC1 ZINC000598575871 492105178 /nfs/dbraw/zinc/10/51/78/492105178.db2.gz DYTYQMXEJMHNDQ-NEPJUHHUSA-N -1 3 353.419 0.849 10 0 FCAEHM Cn1cc(C(=O)NC[C@@H](C(=O)OC(C)(C)C)C2CCC2)c(=O)[n-]c1=O ZINC000598576076 492105225 /nfs/dbraw/zinc/10/52/25/492105225.db2.gz UNZOSVLFOZGJQC-LLVKDONJSA-N -1 3 351.403 0.974 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)CNC(=O)CC2CCCCC2)[n-]1 ZINC000615918700 492106984 /nfs/dbraw/zinc/10/69/84/492106984.db2.gz XGKHJUZVOCRQGH-UHFFFAOYSA-N -1 3 351.407 0.684 10 0 FCAEHM COC(=O)[C@H]1C[C@@H](C2CCCCC2)CN1Cc1cc(=O)n2nc(N)[n-]c2n1 ZINC000598597030 492107097 /nfs/dbraw/zinc/10/70/97/492107097.db2.gz VQYNPACKALWSMO-TZMCWYRMSA-N -1 3 374.445 0.774 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)[C@@H]2COc3cc(OC)ccc3C2)[n-]1 ZINC000615919255 492107378 /nfs/dbraw/zinc/10/73/78/492107378.db2.gz CEWWWVADLSQCLR-NSHDSACASA-N -1 3 360.370 0.858 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)Cn2c3ccccc3n(CC)c2=O)[n-]1 ZINC000615919823 492108060 /nfs/dbraw/zinc/10/80/60/492108060.db2.gz MZTDGFHMMCYKTE-UHFFFAOYSA-N -1 3 372.385 0.434 10 0 FCAEHM COC(=O)[C@@H]1CCN(Cc2cc(=O)n3nc(N)[n-]c3n2)[C@@H]2CCCC[C@H]12 ZINC000598627428 492110225 /nfs/dbraw/zinc/11/02/25/492110225.db2.gz SKTDXWMPJWJCDI-JHJVBQTASA-N -1 3 360.418 0.384 10 0 FCAEHM Cc1[nH]nc(NC(=O)[C@H]([N-]S(C)(=O)=O)C(C)C)c1Br ZINC000616009063 492114421 /nfs/dbraw/zinc/11/44/21/492114421.db2.gz NHJQGYZGLBPYCU-MRVPVSSYSA-N -1 3 353.242 0.993 10 0 FCAEHM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616022119 492114822 /nfs/dbraw/zinc/11/48/22/492114822.db2.gz CQQHEVBGOCAEDW-CQSZACIVSA-N -1 3 372.425 0.963 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)CN(CCc2ccccc2)C(C)=O)[n-]1 ZINC000616028450 492114854 /nfs/dbraw/zinc/11/48/54/492114854.db2.gz GYQNVONHUYOCTB-UHFFFAOYSA-N -1 3 373.413 0.689 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000606417607 492121972 /nfs/dbraw/zinc/12/19/72/492121972.db2.gz SPHYDCXGPXMSKB-TUAOUCFPSA-N -1 3 371.434 0.653 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-][C@@H]2c3ccccc3CN(C)C2=O)CCC1 ZINC000598941552 492126073 /nfs/dbraw/zinc/12/60/73/492126073.db2.gz XEOGTVTURDTYLF-CQSZACIVSA-N -1 3 366.439 0.962 10 0 FCAEHM C[C@](CO)(NC(=O)CN1CC(=O)[N-]C1=O)c1cccc(C(F)(F)F)c1 ZINC000616815565 492144718 /nfs/dbraw/zinc/14/47/18/492144718.db2.gz ZEABAVLUNOFSFS-CQSZACIVSA-N -1 3 359.304 0.581 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]CCN2CCSCC2)on1 ZINC000599245696 492148017 /nfs/dbraw/zinc/14/80/17/492148017.db2.gz SMEABDVMZMLAAV-UHFFFAOYSA-N -1 3 363.461 0.320 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]CC(C)(C)S(C)(=O)=O)on1 ZINC000599249415 492148962 /nfs/dbraw/zinc/14/89/62/492148962.db2.gz BBSJVMBYVHLOOF-UHFFFAOYSA-N -1 3 368.433 0.094 10 0 FCAEHM CO[C@H](CNC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)[C@@H]1CCOC1 ZINC000617138836 492156353 /nfs/dbraw/zinc/15/63/53/492156353.db2.gz WYCHOUBAIBBRQI-RVZJWNSFSA-N -1 3 361.398 0.523 10 0 FCAEHM CO[C@H](CNC(=O)CNC(=O)c1c[n-]c2ccccc2c1=O)[C@H]1CCOC1 ZINC000617145977 492156908 /nfs/dbraw/zinc/15/69/08/492156908.db2.gz SQJCJMZNHIYHAO-BLLLJJGKSA-N -1 3 373.409 0.426 10 0 FCAEHM CO[C@H](CNC(=O)CC[N-]S(=O)(=O)c1cccs1)[C@H]1CCOC1 ZINC000617152210 492157657 /nfs/dbraw/zinc/15/76/57/492157657.db2.gz GNZMAFSMQORUTL-NWDGAFQWSA-N -1 3 362.473 0.584 10 0 FCAEHM CO[C@@H](CNC(=O)CC[N-]S(=O)(=O)c1cccs1)[C@H]1CCOC1 ZINC000617152211 492157727 /nfs/dbraw/zinc/15/77/27/492157727.db2.gz GNZMAFSMQORUTL-RYUDHWBXSA-N -1 3 362.473 0.584 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@H](c2nncn2C)C(C)C)on1 ZINC000599306703 492158133 /nfs/dbraw/zinc/15/81/33/492158133.db2.gz BAUCSJMUZFANOA-LBPRGKRZSA-N -1 3 371.419 0.797 10 0 FCAEHM C[C@]1(c2cccc(C(=O)N3CC[C@@H](Cn4ccnn4)C3)c2)NC(=O)[N-]C1=O ZINC000617259590 492161525 /nfs/dbraw/zinc/16/15/25/492161525.db2.gz CLIHBFXIIZLLAL-KZULUSFZSA-N -1 3 368.397 0.495 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]C[C@@H](OC)[C@H]2CCOC2)on1 ZINC000599338472 492162261 /nfs/dbraw/zinc/16/22/61/492162261.db2.gz SATAOHYLNWVQJM-GXFFZTMASA-N -1 3 362.404 0.322 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCO[C@](C)(C3CC3)C2)cn1C ZINC000617398106 492166330 /nfs/dbraw/zinc/16/63/30/492166330.db2.gz BIPHRQNMSNARFJ-HNNXBMFYSA-N -1 3 356.448 0.034 10 0 FCAEHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]C[C@@H](O)[C@@H]2CCCO2)s1 ZINC000599390912 492166868 /nfs/dbraw/zinc/16/68/68/492166868.db2.gz GRNMRYIIXPKLTH-BDAKNGLRSA-N -1 3 365.429 0.362 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H]1C[C@@H](C)n2ncnc21 ZINC000617427694 492168244 /nfs/dbraw/zinc/16/82/44/492168244.db2.gz LJJMXQTXEYFRRE-JFGNBEQYSA-N -1 3 367.406 0.906 10 0 FCAEHM COC(=O)[C@@H](Cc1cccc(OC)c1)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000599403210 492168666 /nfs/dbraw/zinc/16/86/66/492168666.db2.gz CXRRCEBLIPNWKS-DZGCQCFKSA-N -1 3 357.428 0.735 10 0 FCAEHM COCC1(S(=O)(=O)[N-][C@@H](Cc2cccc(OC)c2)C(=O)OC)CC1 ZINC000599403114 492168787 /nfs/dbraw/zinc/16/87/87/492168787.db2.gz MQGOGVPNSMAUQS-AWEZNQCLSA-N -1 3 357.428 0.878 10 0 FCAEHM CSCC[C@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C(N)=O ZINC000599404598 492168840 /nfs/dbraw/zinc/16/88/40/492168840.db2.gz MFCCNRIBKPUGBK-ZETCQYMHSA-N -1 3 357.379 0.986 10 0 FCAEHM COC[C@@H](C)CS(=O)(=O)[N-][C@H](Cc1cccc(OC)c1)C(=O)OC ZINC000599404410 492169082 /nfs/dbraw/zinc/16/90/82/492169082.db2.gz VDRSKYQNORVDMS-IUODEOHRSA-N -1 3 359.444 0.981 10 0 FCAEHM COC(=O)[C@H](C[C@@H]1CCCOC1)[N-]S(=O)(=O)N1CCC(OC)CC1 ZINC000599455415 492174827 /nfs/dbraw/zinc/17/48/27/492174827.db2.gz CQAXRRGLXFGCDH-JSGCOSHPSA-N -1 3 364.464 0.290 10 0 FCAEHM COC(=O)CCCS(=O)(=O)[N-][C@@H](C[C@@H]1CCCOC1)C(=O)OC ZINC000599460374 492176292 /nfs/dbraw/zinc/17/62/92/492176292.db2.gz MBLPNGBGVHYKKG-RYUDHWBXSA-N -1 3 351.421 0.217 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2c2nc(C)no2)c(C)o1 ZINC000599515485 492182529 /nfs/dbraw/zinc/18/25/29/492182529.db2.gz UERWQVZHOHHTOD-SKDRFNHKSA-N -1 3 371.371 0.875 10 0 FCAEHM COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)[N-][C@@H]1CCO[C@@H]1c1nc(C)no1 ZINC000599515911 492182541 /nfs/dbraw/zinc/18/25/41/492182541.db2.gz YKZXPSLYYQRSNJ-LOWDOPEQSA-N -1 3 373.431 0.859 10 0 FCAEHM COC(=O)c1nscc1S(=O)(=O)[N-][C@@H]1CCO[C@@H]1c1nc(C)no1 ZINC000599515115 492182876 /nfs/dbraw/zinc/18/28/76/492182876.db2.gz NUOWZRWNCGHKCG-XCBNKYQSSA-N -1 3 374.400 0.430 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CC3(CCC3)OC[C@@H]2C)cn1C ZINC000617947903 492207379 /nfs/dbraw/zinc/20/73/79/492207379.db2.gz MBVYCWBJPHDXKF-NSHDSACASA-N -1 3 356.448 0.177 10 0 FCAEHM C[C@@H]1CN(C(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)C[C@@H](C)C1=O ZINC000618093876 492210835 /nfs/dbraw/zinc/21/08/35/492210835.db2.gz NZVGTLJYOLBRPL-VXGBXAGGSA-N -1 3 355.394 0.941 10 0 FCAEHM COC(=O)Cc1n[n-]c(NC(=O)Cc2nnn(-c3ccc(C)cc3)c2C)n1 ZINC000609879975 492225757 /nfs/dbraw/zinc/22/57/57/492225757.db2.gz KVFRUWGXZQCXID-UHFFFAOYSA-N -1 3 369.385 0.899 10 0 FCAEHM COC(=O)Cc1nnc(NC(=O)Cc2nnn(-c3ccc(C)cc3)c2C)[n-]1 ZINC000609879975 492225758 /nfs/dbraw/zinc/22/57/58/492225758.db2.gz KVFRUWGXZQCXID-UHFFFAOYSA-N -1 3 369.385 0.899 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)Cc2nnn(-c3ccc(C)cc3)c2C)n[n-]1 ZINC000609879975 492225759 /nfs/dbraw/zinc/22/57/59/492225759.db2.gz KVFRUWGXZQCXID-UHFFFAOYSA-N -1 3 369.385 0.899 10 0 FCAEHM COC(=O)[C@]1(OC)CCN(C(=O)C(=O)[N-]c2nccn2-c2ccccc2)C1 ZINC000600033633 492234334 /nfs/dbraw/zinc/23/43/34/492234334.db2.gz IRNAJWBITXZIIK-SFHVURJKSA-N -1 3 372.381 0.601 10 0 FCAEHM CCn1c(=O)[n-]c(=O)c2c(C(=O)N3CC[C@@]4(O)C[C@H]4C3)cc(C3CC3)nc21 ZINC000618747723 492236961 /nfs/dbraw/zinc/23/69/61/492236961.db2.gz APGBSTWZMRWGHW-JEOXALJRSA-N -1 3 370.409 0.991 10 0 FCAEHM Cc1cccn2c(NC(=O)C[N-]S(=O)(=O)CCOC(C)C)cnc12 ZINC000619014054 492247209 /nfs/dbraw/zinc/24/72/09/492247209.db2.gz CUXWPGFYABBFIP-UHFFFAOYSA-N -1 3 354.432 0.926 10 0 FCAEHM COC(=O)[C@]1(OC)CCN(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)C1 ZINC000600297933 492257917 /nfs/dbraw/zinc/25/79/17/492257917.db2.gz QTPKWCCFFMFCDL-HNNXBMFYSA-N -1 3 374.390 0.601 10 0 FCAEHM CCN1CC[C@H]([N-]S(=O)(=O)c2sc(C(=O)OC)cc2OC)C1=O ZINC000619797683 492278606 /nfs/dbraw/zinc/27/86/06/492278606.db2.gz JSFIZLZPQHKUBN-QMMMGPOBSA-N -1 3 362.429 0.442 10 0 FCAEHM C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)C[C@@H]1C(=O)[O-] ZINC000647501294 492298066 /nfs/dbraw/zinc/29/80/66/492298066.db2.gz RWAUNPYFRLZBPY-HIFRSBDPSA-N -1 3 360.414 0.299 10 0 FCAEHM CC(C)NC(=O)[C@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2cccs2)C1 ZINC000620410933 492308196 /nfs/dbraw/zinc/30/81/96/492308196.db2.gz CVDVDCYBNZBBMJ-LBPRGKRZSA-N -1 3 373.500 0.790 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C[C@@H](C)NC(N)=O)cc1OC ZINC000654556724 492320247 /nfs/dbraw/zinc/32/02/47/492320247.db2.gz UQNHQNPGKZNMON-SECBINFHSA-N -1 3 358.420 0.842 10 0 FCAEHM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000647586081 492326757 /nfs/dbraw/zinc/32/67/57/492326757.db2.gz MRYINKXPZGSGTP-CABCVRRESA-N -1 3 374.441 0.784 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000634238122 492329233 /nfs/dbraw/zinc/32/92/33/492329233.db2.gz UJUWGXIAOFRSDH-DTWKUNHWSA-N -1 3 372.390 0.656 10 0 FCAEHM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)C1 ZINC000647591828 492329401 /nfs/dbraw/zinc/32/94/01/492329401.db2.gz LCVNQNABCSPFHH-QLFBSQMISA-N -1 3 351.447 0.833 10 0 FCAEHM Cn1nccc1[C@@H]1NC(=O)N(CC[N-]S(=O)(=O)c2cccs2)C1=O ZINC000647668269 492342414 /nfs/dbraw/zinc/34/24/14/492342414.db2.gz KSAXUVRFSXLYBX-NSHDSACASA-N -1 3 369.428 0.053 10 0 FCAEHM CN1C(=O)N(CC(=O)NCCCc2cc(=O)[nH][n-]2)C(=O)C12CCCCC2 ZINC000647718941 492351324 /nfs/dbraw/zinc/35/13/24/492351324.db2.gz SJPQCSAKLNGRIR-UHFFFAOYSA-N -1 3 363.418 0.356 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)O[C@@](C)(C(F)F)C2)cn1 ZINC000621122881 492357512 /nfs/dbraw/zinc/35/75/12/492357512.db2.gz GPOYMFSSQAXVGV-YMTOWFKASA-N -1 3 363.386 0.874 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CCN(CCCF)CC1 ZINC000627955147 492426475 /nfs/dbraw/zinc/42/64/75/492426475.db2.gz YWQQGPBLKHVKOW-UHFFFAOYSA-N -1 3 363.480 0.920 10 0 FCAEHM CO[C@H](C(=O)NCC(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12)C1CCC1 ZINC000621730811 492406946 /nfs/dbraw/zinc/40/69/46/492406946.db2.gz VSLPCCNCINOJBN-AWEZNQCLSA-N -1 3 360.370 0.911 10 0 FCAEHM CO[C@H](C(=O)NCC(=O)Nc1cccc2c(=O)[n-][nH]c(=O)c12)C1CCC1 ZINC000621730811 492406948 /nfs/dbraw/zinc/40/69/48/492406948.db2.gz VSLPCCNCINOJBN-AWEZNQCLSA-N -1 3 360.370 0.911 10 0 FCAEHM CO[C@@H](C(=O)NCC(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12)C1CCC1 ZINC000621730812 492407143 /nfs/dbraw/zinc/40/71/43/492407143.db2.gz VSLPCCNCINOJBN-CQSZACIVSA-N -1 3 360.370 0.911 10 0 FCAEHM CO[C@@H](C(=O)NCC(=O)Nc1cccc2c(=O)[n-][nH]c(=O)c12)C1CCC1 ZINC000621730812 492407147 /nfs/dbraw/zinc/40/71/47/492407147.db2.gz VSLPCCNCINOJBN-CQSZACIVSA-N -1 3 360.370 0.911 10 0 FCAEHM Cc1ccc(-c2nnc(NC(=O)CC3(n4cnnn4)CCOCC3)[n-]2)o1 ZINC000621917066 492432332 /nfs/dbraw/zinc/43/23/32/492432332.db2.gz JSVMCGYNLZWCSW-UHFFFAOYSA-N -1 3 358.362 0.894 10 0 FCAEHM Cc1ccc(-c2n[n-]c(NC(=O)CC3(n4cnnn4)CCOCC3)n2)o1 ZINC000621917066 492432336 /nfs/dbraw/zinc/43/23/36/492432336.db2.gz JSVMCGYNLZWCSW-UHFFFAOYSA-N -1 3 358.362 0.894 10 0 FCAEHM Cc1ccc(-c2nc(NC(=O)CC3(n4cnnn4)CCOCC3)n[n-]2)o1 ZINC000621917066 492432339 /nfs/dbraw/zinc/43/23/39/492432339.db2.gz JSVMCGYNLZWCSW-UHFFFAOYSA-N -1 3 358.362 0.894 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCOc2cccc(Br)c2C1 ZINC000655319817 492435070 /nfs/dbraw/zinc/43/50/70/492435070.db2.gz YJOIGHUSSGUHLE-UHFFFAOYSA-N -1 3 368.187 0.722 10 0 FCAEHM CC[C@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1)[C@@H]1CCCCO1 ZINC000655343360 492436952 /nfs/dbraw/zinc/43/69/52/492436952.db2.gz ABVLDAUTDJBWLO-STQMWFEESA-N -1 3 358.464 0.471 10 0 FCAEHM COc1cc2[n-]cc(C(=O)NCC[C@]3(O)CCOC3)c(=O)c2c(OC)c1 ZINC000627995980 492440720 /nfs/dbraw/zinc/44/07/20/492440720.db2.gz KDTVEDRJAJDGHK-SFHVURJKSA-N -1 3 362.382 0.817 10 0 FCAEHM COc1cc2ncc(C(=O)NCC[C@]3(O)CCOC3)c([O-])c2c(OC)c1 ZINC000627995980 492440724 /nfs/dbraw/zinc/44/07/24/492440724.db2.gz KDTVEDRJAJDGHK-SFHVURJKSA-N -1 3 362.382 0.817 10 0 FCAEHM Cc1ccnc(C[N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)n1 ZINC000622040313 492446749 /nfs/dbraw/zinc/44/67/49/492446749.db2.gz OCCIBJVUBXQMKA-UHFFFAOYSA-N -1 3 353.425 0.593 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CC[C@H](C)[C@@H](CO)C1 ZINC000622222908 492466553 /nfs/dbraw/zinc/46/65/53/492466553.db2.gz CTLNKDHBVASWPP-RWMBFGLXSA-N -1 3 358.435 0.969 10 0 FCAEHM CS(=O)(=O)CCCS(=O)(=O)[N-][C@H]1CCc2ccccc2NC1=O ZINC000655629031 492467564 /nfs/dbraw/zinc/46/75/64/492467564.db2.gz WOAONJZGUJIVRF-ZDUSSCGKSA-N -1 3 360.457 0.294 10 0 FCAEHM C[C@H](C[N-]S(=O)(=O)c1cnn2c1OCCC2)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655639894 492469090 /nfs/dbraw/zinc/46/90/90/492469090.db2.gz WLWWKGMOWLUFKQ-UPJWGTAASA-N -1 3 358.464 0.442 10 0 FCAEHM Cn1cnc(CCCNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])n1 ZINC000648985542 492481836 /nfs/dbraw/zinc/48/18/36/492481836.db2.gz ZHSCSGZBIGYXEM-AWEZNQCLSA-N -1 3 357.414 0.874 10 0 FCAEHM CC(C)(CNC(=O)C[N-]S(=O)(=O)c1ccccc1F)[C@]1(O)CCOC1 ZINC000649098065 492499404 /nfs/dbraw/zinc/49/94/04/492499404.db2.gz UXSHTXSOHKRMGU-INIZCTEOSA-N -1 3 374.434 0.398 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc(=O)n(CCO)c1 ZINC000649118329 492502560 /nfs/dbraw/zinc/50/25/60/492502560.db2.gz SPQQQGHAECGLJW-SNVBAGLBSA-N -1 3 371.440 0.208 10 0 FCAEHM C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)N(C)C1CC1 ZINC000655983306 492504109 /nfs/dbraw/zinc/50/41/09/492504109.db2.gz ATVBNEBPHLDPHA-UVLXDEKHSA-N -1 3 353.463 0.837 10 0 FCAEHM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000623054854 492505050 /nfs/dbraw/zinc/50/50/50/492505050.db2.gz AEPSIWWAWNOTCT-ZDUSSCGKSA-N -1 3 369.425 0.207 10 0 FCAEHM COCCN(CCN(C)C)C(=O)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656017377 492518408 /nfs/dbraw/zinc/51/84/08/492518408.db2.gz PSBVGTJQMGDBCK-MELADBBJSA-N -1 3 371.478 0.275 10 0 FCAEHM CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)Cc1ccc([O-])c(F)c1 ZINC000628577164 492521035 /nfs/dbraw/zinc/52/10/35/492521035.db2.gz SGMFITOMDQKDBU-SFHVURJKSA-N -1 3 352.406 0.806 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC[C@H](O)[C@H]1CCCO1 ZINC000628594037 492527442 /nfs/dbraw/zinc/52/74/42/492527442.db2.gz YWPDSRTVTOXSHG-WCFLWFBJSA-N -1 3 360.407 0.149 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NC[C@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000628735695 492541365 /nfs/dbraw/zinc/54/13/65/492541365.db2.gz ARGZSOGXJGRPPR-STQMWFEESA-N -1 3 366.805 0.260 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000628733441 492541507 /nfs/dbraw/zinc/54/15/07/492541507.db2.gz ZIVPZISBXTZHPC-SGTLLEGYSA-N -1 3 357.366 0.611 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2c(C(=O)N3CC4(C3)CCCO4)cc(C3CC3)nc21 ZINC000628786141 492547210 /nfs/dbraw/zinc/54/72/10/492547210.db2.gz MWVRRWBAAYKNBN-UHFFFAOYSA-N -1 3 356.382 0.917 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000629009771 492573316 /nfs/dbraw/zinc/57/33/16/492573316.db2.gz UURGRCJVBLWRBY-UHFFFAOYSA-N -1 3 361.402 0.670 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)N1CCO[C@H](CCF)C1 ZINC000629021084 492574299 /nfs/dbraw/zinc/57/42/99/492574299.db2.gz IEBQLQXIDPWTSG-GFCCVEGCSA-N -1 3 361.373 0.845 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)N1CCO[C@@H](CCF)C1 ZINC000629021088 492574445 /nfs/dbraw/zinc/57/44/45/492574445.db2.gz IEBQLQXIDPWTSG-LBPRGKRZSA-N -1 3 361.373 0.845 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000629137370 492580049 /nfs/dbraw/zinc/58/00/49/492580049.db2.gz VHUVLHJHFUBUOM-LRDDRELGSA-N -1 3 355.394 0.942 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000629165205 492580432 /nfs/dbraw/zinc/58/04/32/492580432.db2.gz QYPWHLKSYZLFGB-KOLCDFICSA-N -1 3 354.769 0.772 10 0 FCAEHM Cc1cccc([O-])c1C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000623797365 492597649 /nfs/dbraw/zinc/59/76/49/492597649.db2.gz OSMZCXBJTDWYLB-UHFFFAOYSA-N -1 3 369.443 0.035 10 0 FCAEHM C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1cccnc1)C(C)(C)O ZINC000656383446 492619450 /nfs/dbraw/zinc/61/94/50/492619450.db2.gz QYAMWLARHMIHPA-NSHDSACASA-N -1 3 365.477 0.292 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]c1ccn(C2CCN(C)CC2)n1)[C@@H]1CCOC1 ZINC000656628215 492639271 /nfs/dbraw/zinc/63/92/71/492639271.db2.gz LRZRPVMMQDYVIH-UKRRQHHQSA-N -1 3 372.491 0.943 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]c1cccnc1N1CCOCC1)[C@@H]1CCOC1 ZINC000656728751 492646810 /nfs/dbraw/zinc/64/68/10/492646810.db2.gz XCOHXMPYTSXRHA-UKRRQHHQSA-N -1 3 371.459 0.711 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(-n2cnnn2)c1)[C@H]1CCOC1 ZINC000656731403 492647455 /nfs/dbraw/zinc/64/74/55/492647455.db2.gz OJDQVFMAADMVRS-FZMZJTMJSA-N -1 3 353.404 0.456 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]CC(=O)Nc1cccc(F)c1)[C@@H]1CCOC1 ZINC000656890538 492660929 /nfs/dbraw/zinc/66/09/29/492660929.db2.gz WSMGAELLKRYOCP-RISCZKNCSA-N -1 3 360.407 0.735 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-][C@H](C(=O)N1CCCC1)C(C)C)[C@H]1CCOC1 ZINC000656903747 492664305 /nfs/dbraw/zinc/66/43/05/492664305.db2.gz NQSRUVQVUFHIKI-KKUMJFAQSA-N -1 3 362.492 0.604 10 0 FCAEHM NC(=O)COCC[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000656934612 492672562 /nfs/dbraw/zinc/67/25/62/492672562.db2.gz JIFFTSONAWYPRD-UHFFFAOYSA-N -1 3 371.640 0.883 10 0 FCAEHM CCO[C@@H]1C[C@](O)(C[N-]S(=O)(=O)C[C@H](OC)[C@@H]2CCOC2)C1(C)C ZINC000656970546 492682153 /nfs/dbraw/zinc/68/21/53/492682153.db2.gz OKDJZPHQKVYPMM-CTASWTNQSA-N -1 3 365.492 0.523 10 0 FCAEHM CCO[C@@H]1C[C@](O)(C[N-]S(=O)(=O)C[C@H](OC)[C@H]2CCOC2)C1(C)C ZINC000656970544 492682522 /nfs/dbraw/zinc/68/25/22/492682522.db2.gz OKDJZPHQKVYPMM-AYDFFVQHSA-N -1 3 365.492 0.523 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)N1CCC(C2(O)CC2)CC1 ZINC000650980639 492690972 /nfs/dbraw/zinc/69/09/72/492690972.db2.gz TVLHARWDLZSNCC-UHFFFAOYSA-N -1 3 373.500 0.973 10 0 FCAEHM CC(=O)N1CCN(CC[N-]S(=O)(=O)c2ccc(C)c(F)c2F)CC1 ZINC000624853021 492691000 /nfs/dbraw/zinc/69/10/00/492691000.db2.gz IHZROFBRLSWBGP-UHFFFAOYSA-N -1 3 361.414 0.716 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]CCC(=O)N2CCN(C)CC2)c(F)c1F ZINC000624865968 492692656 /nfs/dbraw/zinc/69/26/56/492692656.db2.gz UELJGDIQMDTURL-UHFFFAOYSA-N -1 3 361.414 0.716 10 0 FCAEHM CC(=O)Nc1ccc(S(=O)(=O)[N-][C@@H](CO)c2ccnn2C)c(F)c1 ZINC000657011553 492694036 /nfs/dbraw/zinc/69/40/36/492694036.db2.gz RJBSBKGBOWSVBU-LBPRGKRZSA-N -1 3 356.379 0.530 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)NCC1COC1 ZINC000624886417 492694759 /nfs/dbraw/zinc/69/47/59/492694759.db2.gz TVCZAPFGKPTDFJ-UHFFFAOYSA-N -1 3 365.814 0.703 10 0 FCAEHM CNS(=O)(=O)C[C@@H]1CCCN(C(=O)c2cc(F)cc3[n-]nnc32)C1 ZINC000629892396 492696741 /nfs/dbraw/zinc/69/67/41/492696741.db2.gz CUOVQJKCZMAYCM-SECBINFHSA-N -1 3 355.395 0.498 10 0 FCAEHM CNS(=O)(=O)C[C@@H]1CCCN(C(=O)c2cc(F)cc3nn[n-]c32)C1 ZINC000629892396 492696743 /nfs/dbraw/zinc/69/67/43/492696743.db2.gz CUOVQJKCZMAYCM-SECBINFHSA-N -1 3 355.395 0.498 10 0 FCAEHM CNS(=O)(=O)C[C@@H]1CCCN(C(=O)c2cc(F)cc3n[n-]nc32)C1 ZINC000629892396 492696744 /nfs/dbraw/zinc/69/67/44/492696744.db2.gz CUOVQJKCZMAYCM-SECBINFHSA-N -1 3 355.395 0.498 10 0 FCAEHM COC[C@@]1(C)CN(C(=O)CC[N-]S(=O)(=O)c2cccs2)CCO1 ZINC000629910152 492700059 /nfs/dbraw/zinc/70/00/59/492700059.db2.gz ZSZJLSARHCFGDM-CQSZACIVSA-N -1 3 362.473 0.680 10 0 FCAEHM COC[C@]1(C)CN(C(=O)CC[N-]S(=O)(=O)c2ccccc2F)CCO1 ZINC000629908103 492700301 /nfs/dbraw/zinc/70/03/01/492700301.db2.gz AFMPVGBBLBWPAE-INIZCTEOSA-N -1 3 374.434 0.758 10 0 FCAEHM CN(CCc1ccccn1)C(=O)C[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1 ZINC000624948214 492702032 /nfs/dbraw/zinc/70/20/32/492702032.db2.gz CEFWTRLYPQSSAI-AWEZNQCLSA-N -1 3 355.460 0.569 10 0 FCAEHM CO[C@H](C[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C)[C@H]1CCOC1 ZINC000657045719 492703479 /nfs/dbraw/zinc/70/34/79/492703479.db2.gz VVNFLJNXIBWMEG-NWDGAFQWSA-N -1 3 360.432 0.620 10 0 FCAEHM CCO[C@H](CS(=O)(=O)[N-][C@H]1CCN(c2cnn(C)c2)C1=O)C1CC1 ZINC000624982447 492706809 /nfs/dbraw/zinc/70/68/09/492706809.db2.gz YAQKKXCTUCPJQL-UONOGXRCSA-N -1 3 356.448 0.260 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)N[C@@H]1CCN(C2CCC2)C1=O ZINC000629931329 492707094 /nfs/dbraw/zinc/70/70/94/492707094.db2.gz KCDCGOMKEAMBHC-GFCCVEGCSA-N -1 3 371.484 0.686 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@@H]2C[C@H](C)n3ncnc32)coc1C(=O)N(C)C ZINC000657067258 492708114 /nfs/dbraw/zinc/70/81/14/492708114.db2.gz RTXGVPIZLRIFLB-WCBMZHEXSA-N -1 3 353.404 0.866 10 0 FCAEHM C[C@H](C(=O)NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)c1cncnc1 ZINC000629955625 492708926 /nfs/dbraw/zinc/70/89/26/492708926.db2.gz HWALCLDUTXJRRE-VOJFVSQTSA-N -1 3 353.382 0.951 10 0 FCAEHM COCCOc1ccc(F)cc1S(=O)(=O)[N-]Cc1nc(C(N)=O)co1 ZINC000657071689 492708942 /nfs/dbraw/zinc/70/89/42/492708942.db2.gz VXZWMRMCGFYFCK-UHFFFAOYSA-N -1 3 373.362 0.416 10 0 FCAEHM COC1CCN(S(=O)(=O)[N-][C@@H]2Cc3ccccc3N(C)C2=O)CC1 ZINC000657071173 492709005 /nfs/dbraw/zinc/70/90/05/492709005.db2.gz IAVREYGTXCHQSU-CQSZACIVSA-N -1 3 353.444 0.519 10 0 FCAEHM COCCN(CCOC)S(=O)(=O)[N-][C@@H]1Cc2ccccc2N(C)C1=O ZINC000657070339 492709307 /nfs/dbraw/zinc/70/93/07/492709307.db2.gz FDEIMYFEHZHTDH-CQSZACIVSA-N -1 3 371.459 0.003 10 0 FCAEHM Cc1cc(F)c(S(=O)(=O)[N-]C[C@]2(OCCO)CCOC2)cc1F ZINC000657085887 492712273 /nfs/dbraw/zinc/71/22/73/492712273.db2.gz JDXZJCJADHKVEC-CQSZACIVSA-N -1 3 351.371 0.720 10 0 FCAEHM Cn1ccc(N2CCC[C@H]([N-]S(=O)(=O)[C@H]3COC(C)(C)C3)C2=O)n1 ZINC000625025299 492712272 /nfs/dbraw/zinc/71/22/72/492712272.db2.gz VJQJNAXYCMTOQA-NEPJUHHUSA-N -1 3 356.448 0.402 10 0 FCAEHM O=S(=O)(Cc1cccc2cccnc21)[N-]C[C@]1(OCCO)CCOC1 ZINC000657087556 492713987 /nfs/dbraw/zinc/71/39/87/492713987.db2.gz VGVRWWPCBMYDQV-QGZVFWFLSA-N -1 3 366.439 0.822 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]Cc1cc(C(N)=O)no1)c1ccc(F)cc1 ZINC000625057977 492717633 /nfs/dbraw/zinc/71/76/33/492717633.db2.gz HTGSWCIRIOUQFO-ZDUSSCGKSA-N -1 3 357.363 0.720 10 0 FCAEHM CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]C1(C(N)=O)CCOCC1 ZINC000625078400 492721206 /nfs/dbraw/zinc/72/12/06/492721206.db2.gz QEDKIHXYTLYUAG-CQSZACIVSA-N -1 3 374.434 0.337 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@H](CO)c1cnn(C)c1)c1ccc(F)cc1 ZINC000625096754 492723903 /nfs/dbraw/zinc/72/39/03/492723903.db2.gz RUUYYQGTJZQADT-HUUCEWRRSA-N -1 3 357.407 0.900 10 0 FCAEHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]CCO[C@H]2CC2(F)F)cn1 ZINC000657119141 492724718 /nfs/dbraw/zinc/72/47/18/492724718.db2.gz NRVUHERMYOIMJR-VIFPVBQESA-N -1 3 356.372 0.188 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CCO[C@H]2CC2(F)F)coc1C(=O)N(C)C ZINC000657119440 492724937 /nfs/dbraw/zinc/72/49/37/492724937.db2.gz UNNARGORQSIEBJ-JTQLQIEISA-N -1 3 352.359 0.992 10 0 FCAEHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]CCO[C@H]2CC2(F)F)cc1F ZINC000657117070 492725027 /nfs/dbraw/zinc/72/50/27/492725027.db2.gz GRZZNELGJRGHTP-NSHDSACASA-N -1 3 373.374 0.932 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-]C[C@H]2CCCCS2(=O)=O)CCOCC1 ZINC000625122459 492726773 /nfs/dbraw/zinc/72/67/73/492726773.db2.gz MVCAGOSRUGKPQP-CYBMUJFWSA-N -1 3 369.505 0.459 10 0 FCAEHM Cn1ccc(NC(=O)C[N-]S(=O)(=O)CCc2c(F)cccc2F)n1 ZINC000625150573 492731187 /nfs/dbraw/zinc/73/11/87/492731187.db2.gz FFVFDPZAMZXHPT-UHFFFAOYSA-N -1 3 358.370 0.799 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]CC(=O)Nc1ccn(C)n1)c1ccc(F)cc1 ZINC000625151559 492731318 /nfs/dbraw/zinc/73/13/18/492731318.db2.gz KOPIWHXRHUXPNI-ZDUSSCGKSA-N -1 3 370.406 0.805 10 0 FCAEHM CCN(CC)CCS(=O)(=O)[N-]CC1(S(C)(=O)=O)CCCCC1 ZINC000657147700 492733361 /nfs/dbraw/zinc/73/33/61/492733361.db2.gz ZDFMOPAFCHGUDH-UHFFFAOYSA-N -1 3 354.538 0.995 10 0 FCAEHM CC(C)(C)[C@@H](O)C[C@@H](CO)[N-]S(=O)(=O)c1cnnn1-c1ccccc1 ZINC000625192770 492736788 /nfs/dbraw/zinc/73/67/88/492736788.db2.gz IMOLABXXQNQTCI-JSGCOSHPSA-N -1 3 368.459 0.704 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC(O)(C1CC1)C1CC1 ZINC000657180791 492738009 /nfs/dbraw/zinc/73/80/09/492738009.db2.gz GZKCRESFGYWHMZ-UHFFFAOYSA-N -1 3 359.469 0.920 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]C[C@@H](n1cccn1)C(F)(F)F)[C@H]1CCOC1 ZINC000625326890 492757028 /nfs/dbraw/zinc/75/70/28/492757028.db2.gz BYLIMCVLPHSKRK-QJPTWQEYSA-N -1 3 371.381 0.957 10 0 FCAEHM CC(=O)N1CCc2sc(S(=O)(=O)[N-]C[C@H](O)[C@H]3CCCO3)cc2C1 ZINC000625384887 492770462 /nfs/dbraw/zinc/77/04/62/492770462.db2.gz YLJHYIUGLGDOHR-QWHCGFSZSA-N -1 3 374.484 0.471 10 0 FCAEHM CC(=O)N1CCc2sc(S(=O)(=O)[N-]C[C@@H](O)[C@@H]3CCCO3)cc2C1 ZINC000625384886 492770803 /nfs/dbraw/zinc/77/08/03/492770803.db2.gz YLJHYIUGLGDOHR-OLZOCXBDSA-N -1 3 374.484 0.471 10 0 FCAEHM COC1(CS(=O)(=O)[N-]C[C@H]2CN(CC(C)C)CCO2)CCOCC1 ZINC000651515245 492772478 /nfs/dbraw/zinc/77/24/78/492772478.db2.gz ZNEWOHIOUPVRBC-HNNXBMFYSA-N -1 3 364.508 0.458 10 0 FCAEHM Cc1cn(C)nc1NC(=O)C(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000657658482 492773263 /nfs/dbraw/zinc/77/32/63/492773263.db2.gz ZMZQQAVQFOWDMO-UHFFFAOYSA-N -1 3 359.386 0.309 10 0 FCAEHM O=C(CCc1nnn[n-]1)NCCCCN1CCN(c2ccccc2)CC1 ZINC000630772680 492774934 /nfs/dbraw/zinc/77/49/34/492774934.db2.gz LXYBICDEVOPPED-UHFFFAOYSA-N -1 3 357.462 0.851 10 0 FCAEHM O=C(CCc1nn[n-]n1)NCCCCN1CCN(c2ccccc2)CC1 ZINC000630772680 492774938 /nfs/dbraw/zinc/77/49/38/492774938.db2.gz LXYBICDEVOPPED-UHFFFAOYSA-N -1 3 357.462 0.851 10 0 FCAEHM COC1(CS(=O)(=O)[N-][C@H](Cc2ccccc2)C(N)=O)CCOCC1 ZINC000651533508 492776634 /nfs/dbraw/zinc/77/66/34/492776634.db2.gz ALBYUZFNHHYUJM-CQSZACIVSA-N -1 3 356.444 0.198 10 0 FCAEHM NC(=O)[C@H]1C[C@H]([N-]S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)C1 ZINC000625428342 492781785 /nfs/dbraw/zinc/78/17/85/492781785.db2.gz DYVUEFVJBQZZNM-KYZUINATSA-N -1 3 357.819 0.767 10 0 FCAEHM CCN1CCN(C[C@H](C)CN=c2nn[n-]n2Cc2ccc(OC)cc2)CC1 ZINC000631065651 492796165 /nfs/dbraw/zinc/79/61/65/492796165.db2.gz ZCAUXQWTFMVNRD-MRXNPFEDSA-N -1 3 373.505 0.837 10 0 FCAEHM CC(C)n1cnc(=NC(=O)C(=O)N2CC[C@H]3[C@@H](CCCN3C3CC3)C2)[n-]1 ZINC000651630737 492796528 /nfs/dbraw/zinc/79/65/28/492796528.db2.gz NKIBYTJRPFFKPT-ZFWWWQNUSA-N -1 3 360.462 0.695 10 0 FCAEHM COC1(CS(=O)(=O)[N-]C[C@H]2CCCCS2(=O)=O)CCOCC1 ZINC000651637908 492798390 /nfs/dbraw/zinc/79/83/90/492798390.db2.gz DHYQLWOLHFWNAN-GFCCVEGCSA-N -1 3 355.478 0.069 10 0 FCAEHM CCO[C@@H]1C[C@](O)(C[N-]S(=O)(=O)CC2(OC)CCOCC2)C1(C)C ZINC000651666899 492803903 /nfs/dbraw/zinc/80/39/03/492803903.db2.gz RKKUKFYYTRLPPZ-CJNGLKHVSA-N -1 3 365.492 0.668 10 0 FCAEHM CC(C)n1cnc(=NC(=O)C(=O)Nc2ccc(OCCN(C)C)cc2)[n-]1 ZINC000651691911 492807872 /nfs/dbraw/zinc/80/78/72/492807872.db2.gz LSBGYCZAGZILCU-UHFFFAOYSA-N -1 3 360.418 0.799 10 0 FCAEHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)CC2(OC)CCOCC2)[C@@H]1n1cccn1 ZINC000651720971 492812602 /nfs/dbraw/zinc/81/26/02/492812602.db2.gz PKUMOFXDARAOAQ-ZNMIVQPWSA-N -1 3 373.475 0.717 10 0 FCAEHM O=C1C[C@@H](S(=O)(=O)[N-]C[C@H]2COc3ccccc3O2)CN1C1CC1 ZINC000631653656 492829351 /nfs/dbraw/zinc/82/93/51/492829351.db2.gz YKAFXBPWYOXOSK-QWHCGFSZSA-N -1 3 352.412 0.509 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]CC(C)(C)N1CCOCC1 ZINC000631656075 492830143 /nfs/dbraw/zinc/83/01/43/492830143.db2.gz MNYZYJQWGGJMQN-UHFFFAOYSA-N -1 3 370.397 0.828 10 0 FCAEHM O=S(=O)([N-]CC[C@]1(O)CCOC1)c1ccc(Br)cn1 ZINC000651838820 492831398 /nfs/dbraw/zinc/83/13/98/492831398.db2.gz LFVFDFYHYLPVBV-NSHDSACASA-N -1 3 351.222 0.664 10 0 FCAEHM COCCOc1ccc(F)cc1S(=O)(=O)[N-]CC[C@]1(O)CCOC1 ZINC000651839547 492831642 /nfs/dbraw/zinc/83/16/42/492831642.db2.gz JXPVWKYCIAIFKV-HNNXBMFYSA-N -1 3 363.407 0.671 10 0 FCAEHM CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1 ZINC000651979390 492857151 /nfs/dbraw/zinc/85/71/51/492857151.db2.gz NSSSKPFKVDSVIP-CABCVRRESA-N -1 3 354.414 0.869 10 0 FCAEHM CCc1cccc(NC(=O)C[N-]S(=O)(=O)C[C@H]2CN(C)CCO2)c1 ZINC000631874147 492867352 /nfs/dbraw/zinc/86/73/52/492867352.db2.gz YCZZJSUOEFGVKD-OAHLLOKOSA-N -1 3 355.460 0.438 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)NCCCc2ncn(C)n2)s1 ZINC000645139881 492871988 /nfs/dbraw/zinc/87/19/88/492871988.db2.gz DIZLPCUFVOBMOH-UHFFFAOYSA-N -1 3 372.476 0.217 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H](F)[C@H](N)C2)cc1F ZINC000658408421 492872587 /nfs/dbraw/zinc/87/25/87/492872587.db2.gz RRAIPDNDVMVBMQ-MWLCHTKSSA-N -1 3 369.415 0.257 10 0 FCAEHM O=C1[C@@H]([N-]S(=O)(=O)C[C@@H]2CNCCO2)CCN1c1cccc(Cl)c1 ZINC000631925606 492887638 /nfs/dbraw/zinc/88/76/38/492887638.db2.gz CEKTUIHBBBTXGC-KBPBESRZSA-N -1 3 373.862 0.353 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]CCOC[C@H]1CCCO1 ZINC000631975696 492901946 /nfs/dbraw/zinc/90/19/46/492901946.db2.gz JEAMGDLAEJMIGC-SECBINFHSA-N -1 3 357.354 0.913 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CC(C)(C)N2CCOCC2)coc1C(=O)N(C)C ZINC000645433330 492905514 /nfs/dbraw/zinc/90/55/14/492905514.db2.gz JJXNRPKWZKLZTL-UHFFFAOYSA-N -1 3 373.475 0.679 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]CC(=O)NCc1ccco1)C1CCOCC1 ZINC000645444628 492907379 /nfs/dbraw/zinc/90/73/79/492907379.db2.gz FDAMSMVYAIRVMA-AWEZNQCLSA-N -1 3 360.432 0.257 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@H](C(N)=O)c1ccccc1)C1CCOCC1 ZINC000645448404 492907516 /nfs/dbraw/zinc/90/75/16/492907516.db2.gz CXVOFUBDLXSHCQ-CABCVRRESA-N -1 3 356.444 0.574 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]CC(=O)NC1CCCCC1)C1CCOCC1 ZINC000645502620 492915264 /nfs/dbraw/zinc/91/52/64/492915264.db2.gz XWUDWHJUNBSPTC-OAHLLOKOSA-N -1 3 362.492 0.796 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]CC(=O)Nc1cccnc1)C1CCOCC1 ZINC000645511687 492917547 /nfs/dbraw/zinc/91/75/47/492917547.db2.gz MMSDRKKWIAGYID-AWEZNQCLSA-N -1 3 357.432 0.381 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CCCc2cnn(C)c2)coc1C(=O)N(C)C ZINC000645513260 492918397 /nfs/dbraw/zinc/91/83/97/492918397.db2.gz YDSQZULXOCQUEG-UHFFFAOYSA-N -1 3 354.432 0.934 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@H](C)[C@H](C)N2CCOCC2)coc1C(=O)N(C)C ZINC000645521200 492919400 /nfs/dbraw/zinc/91/94/00/492919400.db2.gz MHZXCHGWSGKGSZ-OLZOCXBDSA-N -1 3 373.475 0.677 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@H]2CCCS(=O)(=O)C2)coc1C(=O)N(C)C ZINC000645531153 492921100 /nfs/dbraw/zinc/92/11/00/492921100.db2.gz BPNQGTIDGASJRG-JTQLQIEISA-N -1 3 364.445 0.145 10 0 FCAEHM CN1CCO[C@H](CS(=O)(=O)[N-]Cc2c(F)c(F)cc(F)c2F)C1 ZINC000632080720 492924892 /nfs/dbraw/zinc/92/48/92/492924892.db2.gz HAEFUWXIFVHFMK-QMMMGPOBSA-N -1 3 356.341 0.993 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)coc1C(=O)N(C)C ZINC000645571099 492929118 /nfs/dbraw/zinc/92/91/18/492929118.db2.gz IIGLAUVDBWWWQL-MVWJERBFSA-N -1 3 369.443 0.577 10 0 FCAEHM C[C@@H]1C[C@H]([N-]S(=O)(=O)CCOCC2CCC2)C(=O)N1c1cnn(C)c1 ZINC000645573827 492930438 /nfs/dbraw/zinc/93/04/38/492930438.db2.gz ZBAHKAZZFYYIGH-DOMZBBRYSA-N -1 3 370.475 0.650 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@H]2CC(=O)N(C(C)C)C2=O)coc1C(=O)N(C)C ZINC000645583528 492931847 /nfs/dbraw/zinc/93/18/47/492931847.db2.gz RYBUAWWQEHVXNE-JTQLQIEISA-N -1 3 371.415 0.104 10 0 FCAEHM CCN1C[C@@H](S(=O)(=O)[N-][C@H]2CCN(C3CCCCC3)C2=O)CC1=O ZINC000632113301 492932769 /nfs/dbraw/zinc/93/27/69/492932769.db2.gz XJYGFPBNTXXSPB-KBPBESRZSA-N -1 3 357.476 0.460 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@H](C)CO[C@H]2CCOC2)coc1C(=O)N(C)C ZINC000645596059 492935916 /nfs/dbraw/zinc/93/59/16/492935916.db2.gz DYYNERMBHOYTSC-PWSUYJOCSA-N -1 3 360.432 0.762 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]CC1(CO)CCOCC1 ZINC000632130565 492936266 /nfs/dbraw/zinc/93/62/66/492936266.db2.gz PFKLCDIRIMBRSR-UHFFFAOYSA-N -1 3 357.354 0.506 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]CC1(OC)CCOCC1)C1CCOCC1 ZINC000645614647 492940181 /nfs/dbraw/zinc/94/01/81/492940181.db2.gz IIKQUBKLZNLAIL-CQSZACIVSA-N -1 3 351.465 0.543 10 0 FCAEHM CNC(=O)[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000632162869 492941791 /nfs/dbraw/zinc/94/17/91/492941791.db2.gz LRPFGEQSUIQUQL-VXNVDRBHSA-N -1 3 354.354 0.632 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CCN2CCO[C@H](C)C2)coc1C(=O)N(C)C ZINC000645667030 492957763 /nfs/dbraw/zinc/95/77/63/492957763.db2.gz GENZXKXVNHGFMI-LLVKDONJSA-N -1 3 359.448 0.289 10 0 FCAEHM CN1CCO[C@@H](CS(=O)(=O)[N-][C@@H]2CCCN(C3CCCCC3)C2=O)C1 ZINC000632261333 492959633 /nfs/dbraw/zinc/95/96/33/492959633.db2.gz LNJPICYTKVWNCM-HZPDHXFCSA-N -1 3 373.519 0.560 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]C[C@H](CO)[C@@H]2CCOC2)coc1C(=O)N(C)C ZINC000645690478 492960811 /nfs/dbraw/zinc/96/08/11/492960811.db2.gz KWFZNQZHCLRYKR-VXGBXAGGSA-N -1 3 360.432 0.213 10 0 FCAEHM COCC[C@H](CO)[N-]S(=O)(=O)Cc1ncsc1Br ZINC000632303306 492969318 /nfs/dbraw/zinc/96/93/18/492969318.db2.gz IBOSTWMOCYFYSA-SSDOTTSWSA-N -1 3 359.267 0.722 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@@H](CO)[C@@H]2CCCOC2)coc1C(=O)N(C)C ZINC000645761118 492971375 /nfs/dbraw/zinc/97/13/75/492971375.db2.gz VAACVZWRWQDHGI-NEPJUHHUSA-N -1 3 360.432 0.356 10 0 FCAEHM CC(C)(C[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F)[C@@]1(O)CCOC1 ZINC000645838900 492981880 /nfs/dbraw/zinc/98/18/80/492981880.db2.gz ROZPNBWCPWFTHZ-OAHLLOKOSA-N -1 3 374.390 0.716 10 0 FCAEHM CN1CCO[C@H](CS(=O)(=O)[N-]Cc2ncn(-c3ccccc3)n2)C1 ZINC000632374978 492986678 /nfs/dbraw/zinc/98/66/78/492986678.db2.gz XFWNPXLBTCXWTC-AWEZNQCLSA-N -1 3 351.432 0.017 10 0 FCAEHM CC[C@@H]([N-]S(=O)(=O)Cc1ncsc1Br)C(=O)NC ZINC000632428585 492995859 /nfs/dbraw/zinc/99/58/59/492995859.db2.gz MRLFBYKVJIETMT-ZCFIWIBFSA-N -1 3 356.267 0.850 10 0 FCAEHM Cc1nn2cc(Br)cnc2c1S(=O)(=O)[N-][C@H]1C[C@@H](O)C1 ZINC000632430959 492996111 /nfs/dbraw/zinc/99/61/11/492996111.db2.gz LLMWALISAKSNSU-DTORHVGOSA-N -1 3 361.221 0.602 10 0 FCAEHM C[C@@]1(C[N-]S(=O)(=O)Cc2ncsc2Br)CCC(=O)N1 ZINC000632432502 492996277 /nfs/dbraw/zinc/99/62/77/492996277.db2.gz RJDMVIDBSLYXPB-JTQLQIEISA-N -1 3 368.278 0.994 10 0 FCAEHM Cn1cnnc1CCC[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000632435248 492996835 /nfs/dbraw/zinc/99/68/35/492996835.db2.gz VFDFXFOGPODJFU-UHFFFAOYSA-N -1 3 352.342 0.479 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]CCCCS(C)(=O)=O ZINC000632481795 493007277 /nfs/dbraw/zinc/00/72/77/493007277.db2.gz HNZYNNUJMHEPAW-UHFFFAOYSA-N -1 3 363.383 0.542 10 0 FCAEHM CC1(C)[C@@H]([N-]S(=O)(=O)c2ccc(Br)cn2)CS1(=O)=O ZINC000632494085 493010958 /nfs/dbraw/zinc/01/09/58/493010958.db2.gz UXLULAMMKDWMFN-QMMMGPOBSA-N -1 3 369.262 0.698 10 0 FCAEHM Cc1ccc(-n2[n-]c(C(=O)N3CCN(CCN(C)C)C(=O)C3)cc2=O)cc1 ZINC000652734798 493011427 /nfs/dbraw/zinc/01/14/27/493011427.db2.gz WKPLPAJEIVCNEB-UHFFFAOYSA-N -1 3 371.441 0.320 10 0 FCAEHM CC(C)n1ncnc1CNC(=O)C[N-]S(=O)(=O)c1ccccc1F ZINC000626753873 493013217 /nfs/dbraw/zinc/01/32/17/493013217.db2.gz AYCGXUJLGDJJMQ-UHFFFAOYSA-N -1 3 355.395 0.593 10 0 FCAEHM CC1(C)[C@H]([N-]S(=O)(=O)c2cnn3c2OCCC3)C[C@H]1N1CCOCC1 ZINC000632503161 493015200 /nfs/dbraw/zinc/01/52/00/493015200.db2.gz WONJDBUAZICWKF-ZIAGYGMSSA-N -1 3 370.475 0.443 10 0 FCAEHM CN1CCC[C@H]1CNC(=O)N[C@@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC000626769095 493016629 /nfs/dbraw/zinc/01/66/29/493016629.db2.gz XFWVWBOXVGZOBY-XHSDSOJGSA-N -1 3 374.441 0.807 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C2CC2)C2CCOCC2)cn1 ZINC000652770095 493016651 /nfs/dbraw/zinc/01/66/51/493016651.db2.gz VJYFZDXPDWEUMZ-OAHLLOKOSA-N -1 3 353.444 0.925 10 0 FCAEHM COC[C@H]1C[C@@H](O)CN1C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000652823110 493024393 /nfs/dbraw/zinc/02/43/93/493024393.db2.gz VMHTWNKOSYJCSD-QJPTWQEYSA-N -1 3 360.407 0.101 10 0 FCAEHM CCN1C[C@H](CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC1=O ZINC000652833542 493026181 /nfs/dbraw/zinc/02/61/81/493026181.db2.gz PNVMVQUKKOGCMX-ZFWWWQNUSA-N -1 3 359.426 0.981 10 0 FCAEHM CC(C)[C@H](O)[C@@H]([N-]S(=O)(=O)C[C@H]1CN(C)CCO1)c1ccccc1 ZINC000632568179 493030935 /nfs/dbraw/zinc/03/09/35/493030935.db2.gz XJPCJTBZYCGTLQ-IKGGRYGDSA-N -1 3 356.488 0.995 10 0 FCAEHM O=C1C[C@@H](S(=O)(=O)[N-][C@H](CO)c2ccc(F)cc2F)CN1C1CC1 ZINC000632573079 493032623 /nfs/dbraw/zinc/03/26/23/493032623.db2.gz QIRNJNIJTQDNBV-BXUZGUMPSA-N -1 3 360.382 0.681 10 0 FCAEHM CN1Cc2ccccc2[C@@H]([N-]S(=O)(=O)[C@@H]2CC(=O)N(C3CC3)C2)C1=O ZINC000632595311 493040603 /nfs/dbraw/zinc/04/06/03/493040603.db2.gz DFUKQIOYYLJSIG-CZUORRHYSA-N -1 3 363.439 0.382 10 0 FCAEHM Cc1nocc1S(=O)(=O)[N-]C[C@H]1CN(Cc2ccncc2)CCO1 ZINC000632600598 493042223 /nfs/dbraw/zinc/04/22/23/493042223.db2.gz NLOWHRLIHLFCBS-AWEZNQCLSA-N -1 3 352.416 0.557 10 0 FCAEHM C[C@@]1(c2ccc(C(=O)N3CC(CN4CCOCC4)C3)cc2)NC(=O)[N-]C1=O ZINC000646358484 493043878 /nfs/dbraw/zinc/04/38/78/493043878.db2.gz ODDYCNMZBAUZRA-IBGZPJMESA-N -1 3 372.425 0.145 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)c2cncc(N3CCCC3=O)c2)nc1=N ZINC000626884406 493050027 /nfs/dbraw/zinc/05/00/27/493050027.db2.gz HNXLIFXYNCWTSK-CYBMUJFWSA-N -1 3 355.402 0.727 10 0 FCAEHM O=C1C[C@H](S(=O)(=O)[N-]C[C@@H](n2cncn2)C(F)(F)F)CN1C1CC1 ZINC000632645469 493057238 /nfs/dbraw/zinc/05/72/38/493057238.db2.gz QOYUFXFBLCXWRN-VHSXEESVSA-N -1 3 367.353 0.064 10 0 FCAEHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)[C@@H](C)O1 ZINC000632647274 493058170 /nfs/dbraw/zinc/05/81/70/493058170.db2.gz ABEWTYHORNEADV-UTUOFQBUSA-N -1 3 362.473 0.781 10 0 FCAEHM C[C@@H]1CC(=O)N(C)c2ccc(NC(=O)N3CCN4C(=O)[N-]C(=O)[C@H]4C3)cc21 ZINC000627064264 493085317 /nfs/dbraw/zinc/08/53/17/493085317.db2.gz QDYNPUVPPMDSOW-QMTHXVAHSA-N -1 3 371.397 0.925 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000646918996 493126361 /nfs/dbraw/zinc/12/63/61/493126361.db2.gz CGUIBKNYTBMXPC-GOEBONIOSA-N -1 3 353.426 0.845 10 0 FCAEHM Cc1cccc2c(=O)c(C(=O)NCCCN3CCCS3(=O)=O)c[n-]c12 ZINC000681516533 493179171 /nfs/dbraw/zinc/17/91/71/493179171.db2.gz XJRKVDCWCWLBGI-UHFFFAOYSA-N -1 3 363.439 0.992 10 0 FCAEHM CC(C)(C)n1nnc(C(=O)Nc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)n1 ZINC000666443905 493184829 /nfs/dbraw/zinc/18/48/29/493184829.db2.gz NARUAJNLKNPRTM-INIZCTEOSA-N -1 3 357.374 0.735 10 0 FCAEHM CC(C)(C)n1nnc(C(=O)Nc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)n1 ZINC000666443906 493185722 /nfs/dbraw/zinc/18/57/22/493185722.db2.gz NARUAJNLKNPRTM-MRXNPFEDSA-N -1 3 357.374 0.735 10 0 FCAEHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H]2CNCCC2(F)F)s1 ZINC000647319254 493193981 /nfs/dbraw/zinc/19/39/81/493193981.db2.gz SNFIIQJPZSOSNR-LLVKDONJSA-N -1 3 367.443 0.702 10 0 FCAEHM O=C(Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1)N1CC[C@H](O)C(F)(F)C1 ZINC000666514348 493197216 /nfs/dbraw/zinc/19/72/16/493197216.db2.gz YKIRWYDXBBZQET-RYUDHWBXSA-N -1 3 368.340 0.671 10 0 FCAEHM CC(C)CN1CCO[C@H](CNC(=O)CN2CCC(C)(C(=O)[O-])CC2)C1 ZINC000647376603 493198919 /nfs/dbraw/zinc/19/89/19/493198919.db2.gz VUOQHUIKPHKOJH-OAHLLOKOSA-N -1 3 355.479 0.646 10 0 FCAEHM O=C(CNC(=O)c1cccc([O-])c1)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000681734712 493211115 /nfs/dbraw/zinc/21/11/15/493211115.db2.gz KNOSAGIYXIDJSL-OAHLLOKOSA-N -1 3 361.398 0.018 10 0 FCAEHM CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659647942 493229676 /nfs/dbraw/zinc/22/96/76/493229676.db2.gz AUOSGEPCSHMCTC-HNNXBMFYSA-N -1 3 361.442 0.647 10 0 FCAEHM COCC(COC)S(=O)(=O)[N-]Cc1nn(C)cc1Br ZINC000641520394 493250884 /nfs/dbraw/zinc/25/08/84/493250884.db2.gz FFMZTZKDOOIJBH-UHFFFAOYSA-N -1 3 356.242 0.263 10 0 FCAEHM COc1cccc(CNC(=O)N2CCC[C@H]2C[C@@]2(C)NC(=O)[N-]C2=O)n1 ZINC000672798618 493251639 /nfs/dbraw/zinc/25/16/39/493251639.db2.gz GCXUNWHQHSIOCQ-YVEFUNNKSA-N -1 3 361.402 0.752 10 0 FCAEHM O=C(Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1)N1CC(F)(F)C[C@H]1CO ZINC000682053396 493265935 /nfs/dbraw/zinc/26/59/35/493265935.db2.gz JCZCWVZYTGXJAH-NWDGAFQWSA-N -1 3 368.340 0.671 10 0 FCAEHM C[C@@H](NC(=O)C(=O)NCc1nc(CN)cc(=O)[n-]1)C1CCC(F)(F)CC1 ZINC000659727001 493274768 /nfs/dbraw/zinc/27/47/68/493274768.db2.gz NTKVPFYJJLPCTD-SECBINFHSA-N -1 3 371.388 0.587 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CC(F)(F)C[C@H]1CO ZINC000673224543 493304977 /nfs/dbraw/zinc/30/49/77/493304977.db2.gz GAMHDGDLEHNXKL-LBPRGKRZSA-N -1 3 364.352 0.911 10 0 FCAEHM C[C@@]1(c2ccc(CNC(=O)c3cnc4n3CCOC4)cc2)NC(=O)[N-]C1=O ZINC000667895531 493307573 /nfs/dbraw/zinc/30/75/73/493307573.db2.gz VXDSNZCEXKHFGO-SFHVURJKSA-N -1 3 369.381 0.398 10 0 FCAEHM O=C(Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1)N1C[C@@H](O)CC(F)(F)C1 ZINC000682556558 493308545 /nfs/dbraw/zinc/30/85/45/493308545.db2.gz MRMLKBDVDQTGGJ-NWDGAFQWSA-N -1 3 368.340 0.671 10 0 FCAEHM CC(C)O[C@@]1(CS(=O)(=O)[N-][C@H](C)C2(S(C)(=O)=O)CC2)CCOC1 ZINC000659966034 493309532 /nfs/dbraw/zinc/30/95/32/493309532.db2.gz FOYSNEUCQWGPHR-OLZOCXBDSA-N -1 3 369.505 0.456 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1C[C@@H](O)CC(F)(F)C1 ZINC000682585979 493310137 /nfs/dbraw/zinc/31/01/37/493310137.db2.gz FQFOCFWUZHIJMQ-LBPRGKRZSA-N -1 3 364.352 0.911 10 0 FCAEHM COc1ccc(S(=O)(=O)[N-]CCCN2CCCS2(=O)=O)c(F)c1 ZINC000682927501 493326911 /nfs/dbraw/zinc/32/69/11/493326911.db2.gz FYVNCJQQKLNQFS-UHFFFAOYSA-N -1 3 366.436 0.538 10 0 FCAEHM O=C([C@@H]1CCCN1Cc1ccccn1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000684078764 493392452 /nfs/dbraw/zinc/39/24/52/493392452.db2.gz JYTJFUGREXCEPW-KBXCAEBGSA-N -1 3 357.414 0.247 10 0 FCAEHM CC(C)(NC(=O)Nc1ccccc1)C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000684080208 493392799 /nfs/dbraw/zinc/39/27/99/493392799.db2.gz UZQKNYLSHYAXES-SFHVURJKSA-N -1 3 373.413 0.787 10 0 FCAEHM CN(C)C[C@]1(O)CCCN(C(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)C1 ZINC000684174387 493398750 /nfs/dbraw/zinc/39/87/50/493398750.db2.gz AZTOSWYOHUFSGM-MRXNPFEDSA-N -1 3 373.450 0.726 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CC[C@@H](N2CCC2)[C@@H](F)C1 ZINC000684180354 493399705 /nfs/dbraw/zinc/39/97/05/493399705.db2.gz CEARGEDRSYETCC-NWDGAFQWSA-N -1 3 361.464 0.671 10 0 FCAEHM COC[C@@H](CCNC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1)OC ZINC000661481596 493442145 /nfs/dbraw/zinc/44/21/45/493442145.db2.gz GMSPBSUZZJVNJH-MRXNPFEDSA-N -1 3 365.430 0.911 10 0 FCAEHM CN1C[C@@H](C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)NC1=O ZINC000669090454 493462099 /nfs/dbraw/zinc/46/20/99/493462099.db2.gz JSKHBYHPFWVHIP-NSHDSACASA-N -1 3 372.422 0.865 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)NCC(C)(C)[C@H]2CCCCO2)cn1C ZINC000675168057 493472174 /nfs/dbraw/zinc/47/21/74/493472174.db2.gz IAHJZAXXIWHHDL-CYBMUJFWSA-N -1 3 372.491 0.718 10 0 FCAEHM O=C(NC1CC1)c1nn[n-]c1NC(=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000662171981 493494457 /nfs/dbraw/zinc/49/44/57/493494457.db2.gz VJZYEXLJVYRKIO-UHFFFAOYSA-N -1 3 374.376 0.925 10 0 FCAEHM O=C(NC1CC1)c1[n-]nnc1NC(=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000662171981 493494458 /nfs/dbraw/zinc/49/44/58/493494458.db2.gz VJZYEXLJVYRKIO-UHFFFAOYSA-N -1 3 374.376 0.925 10 0 FCAEHM O=C(NC1CC1)c1n[n-]nc1NC(=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000662171981 493494461 /nfs/dbraw/zinc/49/44/61/493494461.db2.gz VJZYEXLJVYRKIO-UHFFFAOYSA-N -1 3 374.376 0.925 10 0 FCAEHM C[C@H]1CCCC[C@H]1OCCNC(=O)CN1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662219967 493497244 /nfs/dbraw/zinc/49/72/44/493497244.db2.gz PSKRBODEEKHYMU-LUXYFRNMSA-N -1 3 354.447 0.731 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NC[C@](C)(O)CCC(C)C ZINC000685761678 493513132 /nfs/dbraw/zinc/51/31/32/493513132.db2.gz WHCAPQALEWIJIZ-OAHLLOKOSA-N -1 3 361.464 0.873 10 0 FCAEHM CCN1CC[C@H](NC(=O)Nc2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)C1=O ZINC000669978300 493537774 /nfs/dbraw/zinc/53/77/74/493537774.db2.gz UFPAWQRGZIXTDF-STQMWFEESA-N -1 3 359.386 0.179 10 0 FCAEHM CCN1CC[C@@H]([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)C1=O ZINC000669984226 493538882 /nfs/dbraw/zinc/53/88/82/493538882.db2.gz ZSFMLSJTIYWIEA-LLVKDONJSA-N -1 3 355.391 0.610 10 0 FCAEHM CCN1CC[C@@H]([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)C1=O ZINC000669984278 493538887 /nfs/dbraw/zinc/53/88/87/493538887.db2.gz CDSVUZCLNXOGLJ-LLVKDONJSA-N -1 3 364.420 0.128 10 0 FCAEHM CCN1CC[C@H](NC(=O)NCc2ccc(S(=O)(=O)[N-]C)s2)C1=O ZINC000670045794 493542958 /nfs/dbraw/zinc/54/29/58/493542958.db2.gz FPLRRNHVNLIRFL-JTQLQIEISA-N -1 3 360.461 0.076 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-][C@@H](CO)c2cc(F)ccc2F)C[C@H](C)O1 ZINC000676848394 493574116 /nfs/dbraw/zinc/57/41/16/493574116.db2.gz FPSDXWUGPPEVHF-RBZYPMLTSA-N -1 3 350.387 0.942 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-][C@H](CO)c2cc(F)ccc2F)C[C@@H](C)O1 ZINC000676848391 493574246 /nfs/dbraw/zinc/57/42/46/493574246.db2.gz FPSDXWUGPPEVHF-GPCCPHFNSA-N -1 3 350.387 0.942 10 0 FCAEHM OC[C@]1(CN=c2ncnc3[nH][n-]cc2-3)COCCN1Cc1ccccc1 ZINC000663232926 493579260 /nfs/dbraw/zinc/57/92/60/493579260.db2.gz RZBSEZYVNGIGRO-GOSISDBHSA-N -1 3 354.414 0.402 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2C[C@H]3COC[C@]3(C)C2)s1 ZINC000663537679 493595003 /nfs/dbraw/zinc/59/50/03/493595003.db2.gz YPQDWVWHSAYPMM-HZMBPMFUSA-N -1 3 359.473 0.834 10 0 FCAEHM CC(C)C(=O)NCCCNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000677363523 493598168 /nfs/dbraw/zinc/59/81/68/493598168.db2.gz RXTKPMCHWBQYLM-LBPRGKRZSA-N -1 3 373.450 0.771 10 0 FCAEHM CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000677371542 493598232 /nfs/dbraw/zinc/59/82/32/493598232.db2.gz DFBRERFIDTYWKH-AAEUAGOBSA-N -1 3 373.450 0.769 10 0 FCAEHM C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663619156 493605241 /nfs/dbraw/zinc/60/52/41/493605241.db2.gz FPOFRBGSIVWBLE-UMVBOHGHSA-N -1 3 353.463 0.840 10 0 FCAEHM CC(C)(CNC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1)N1CCCCC1 ZINC000663619117 493605298 /nfs/dbraw/zinc/60/52/98/493605298.db2.gz QCYYNARTFDYCDI-AWEZNQCLSA-N -1 3 353.463 0.984 10 0 FCAEHM C[C@H](CNC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1)N1CCC(C)CC1 ZINC000663620973 493605335 /nfs/dbraw/zinc/60/53/35/493605335.db2.gz SRLIAOCPVDQNDM-HIFRSBDPSA-N -1 3 353.463 0.840 10 0 FCAEHM CC[C@@H]1CCCCN1CCNC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663624145 493605885 /nfs/dbraw/zinc/60/58/85/493605885.db2.gz ORBMSAUCJOXWDI-HUUCEWRRSA-N -1 3 353.463 0.984 10 0 FCAEHM C[C@@H](Cn1cncn1)NC(=O)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000678338033 493641129 /nfs/dbraw/zinc/64/11/29/493641129.db2.gz VTRCRULFJAFFTP-GWCFXTLKSA-N -1 3 357.374 0.239 10 0 FCAEHM O=C(CC[C@@H]1NC(=O)[N-]C1=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000678402419 493643464 /nfs/dbraw/zinc/64/34/64/493643464.db2.gz WVXOLVDOOPKJPO-QWRGUYRKSA-N -1 3 370.203 0.587 10 0 FCAEHM Cc1cc(Br)c(S(=O)(=O)[N-]CCc2nnnn2C)s1 ZINC000678492875 493646602 /nfs/dbraw/zinc/64/66/02/493646602.db2.gz NLWWQPDBDNYVRT-UHFFFAOYSA-N -1 3 366.266 0.864 10 0 FCAEHM Cn1nnnc1CCNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000678511009 493647910 /nfs/dbraw/zinc/64/79/10/493647910.db2.gz VVFAAEMXJYYPJL-UHFFFAOYSA-N -1 3 355.196 0.720 10 0 FCAEHM CC(=O)Nc1ccc(S(=O)(=O)[N-]C[C@]2(CCO)CCOC2)c(F)c1 ZINC000678724211 493657790 /nfs/dbraw/zinc/65/77/90/493657790.db2.gz HGLNKKIUPUSLMJ-HNNXBMFYSA-N -1 3 360.407 0.852 10 0 FCAEHM O=C(Nc1cccc([C@H]2CNC(=O)C2)c1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000679343529 493676263 /nfs/dbraw/zinc/67/62/63/493676263.db2.gz BTOJXOKHTJXVHL-DGCLKSJQSA-N -1 3 357.370 0.058 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N(Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC000679693974 493691917 /nfs/dbraw/zinc/69/19/17/493691917.db2.gz YHBKXKVCNLSFIM-WDEREUQCSA-N -1 3 359.304 0.537 10 0 FCAEHM C[C@@H]1CN(Cc2ccccc2)C[C@H](c2noc(C[C@@H]3NC(=O)[N-]C3=O)n2)O1 ZINC000665004747 493694102 /nfs/dbraw/zinc/69/41/02/493694102.db2.gz ZKAJGKIXXUUREI-KWCYVHTRSA-N -1 3 371.397 0.782 10 0 FCAEHM CCn1cnc(S(=O)(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000671698320 493703396 /nfs/dbraw/zinc/70/33/96/493703396.db2.gz CWUOJKGJJVRGRS-YGRLFVJLSA-N -1 3 355.420 0.044 10 0 FCAEHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]CCCn2ccnn2)s1 ZINC000680102809 493707185 /nfs/dbraw/zinc/70/71/85/493707185.db2.gz LYOZVLHNFXBPIJ-SNVBAGLBSA-N -1 3 357.461 0.905 10 0 FCAEHM CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000665304160 493708402 /nfs/dbraw/zinc/70/84/02/493708402.db2.gz ZFIJRQDXQATULD-CABCVRRESA-N -1 3 368.478 0.729 10 0 FCAEHM O=C(NCC[C@H]1COc2ccccc2O1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000680611134 493726327 /nfs/dbraw/zinc/72/63/27/493726327.db2.gz ZWVMDOGERVHRMS-NWDGAFQWSA-N -1 3 360.370 0.162 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)c2cnc3n2CCOC3)s1 ZINC000665892264 493743250 /nfs/dbraw/zinc/74/32/50/493743250.db2.gz GSPUNPRLLJEYGS-UHFFFAOYSA-N -1 3 356.429 0.313 10 0 FCAEHM CN(C)c1cnccc1NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000681356018 493757834 /nfs/dbraw/zinc/75/78/34/493757834.db2.gz GKJMANWEBSJDLW-UHFFFAOYSA-N -1 3 368.191 0.233 10 0 FCAEHM NS(=O)(=O)c1ccc(CNC(=O)N[N-]C(=O)c2ccccc2F)cc1 ZINC000042954566 674343770 /nfs/dbraw/zinc/34/37/70/674343770.db2.gz VYAQXLYROBZLTF-UHFFFAOYSA-N -1 3 366.374 0.617 10 0 FCAEHM C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)C(=O)[N-]c2nccn2-c2ccccc2)CC1=O ZINC000411292239 534037815 /nfs/dbraw/zinc/03/78/15/534037815.db2.gz JYXJLXCPVNCPFO-VNHYZAJKSA-N -1 3 367.409 0.936 10 0 FCAEHM CN(CC(=O)[O-])C[C@H]1CN(C(=O)C[C@H]2OCCc3ccccc32)CCO1 ZINC000275614441 522525559 /nfs/dbraw/zinc/52/55/59/522525559.db2.gz ITFZAXANZKUEAZ-DOTOQJQBSA-N -1 3 362.426 0.934 10 0 FCAEHM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000187301211 534646093 /nfs/dbraw/zinc/64/60/93/534646093.db2.gz HSOBOUULSBIONP-LBPRGKRZSA-N -1 3 361.446 0.509 10 0 FCAEHM COC(=O)CC1(NC(=O)c2ccc3n[n-]nc3c2)CCS(=O)(=O)CC1 ZINC000440131620 536441130 /nfs/dbraw/zinc/44/11/30/536441130.db2.gz IFDXBDJXMCVFPN-UHFFFAOYSA-N -1 3 366.399 0.198 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000275745003 526721238 /nfs/dbraw/zinc/72/12/38/526721238.db2.gz VTEWGIKVPHZWHM-CYBMUJFWSA-N -1 3 373.413 0.213 10 0 FCAEHM CC(C)NC(=O)[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000412854669 527706860 /nfs/dbraw/zinc/70/68/60/527706860.db2.gz UPSVCYYQHMTPPZ-QWRGUYRKSA-N -1 3 359.423 0.522 10 0 FCAEHM CC1(C)Cc2ccc(C(=O)N3CCC(S(N)(=O)=O)CC3)c([O-])c2O1 ZINC000442962448 534954974 /nfs/dbraw/zinc/95/49/74/534954974.db2.gz FGAHFXJXPLWRSO-UHFFFAOYSA-N -1 3 354.428 0.999 10 0 FCAEHM CC1(C)NC(=O)N(c2cccc(NC(=O)CN3CC(=O)[N-]C3=O)c2)C1=O ZINC000447842295 534981577 /nfs/dbraw/zinc/98/15/77/534981577.db2.gz HTLNKNCAAFRBKN-UHFFFAOYSA-N -1 3 359.342 0.012 10 0 FCAEHM COc1ccc2c(c1)[n-]cc(C(=O)N1CCC(S(N)(=O)=O)CC1)c2=O ZINC000443351712 537013350 /nfs/dbraw/zinc/01/33/50/537013350.db2.gz NTSLEOWIYBSFRB-UHFFFAOYSA-N -1 3 365.411 0.430 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCC[C@@H]2COCC[C@H]21 ZINC000329647921 546560189 /nfs/dbraw/zinc/56/01/89/546560189.db2.gz AUQFPAVXJSRRSP-IACUBPJLSA-N -1 3 371.459 0.986 10 0 FCAEHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]CCCc1ncn(C)n1 ZINC000592068865 546606623 /nfs/dbraw/zinc/60/66/23/546606623.db2.gz JKLDEDIOYLGONG-UHFFFAOYSA-N -1 3 356.379 0.652 10 0 FCAEHM COC(=O)c1cccc2nc(NC(=O)[C@H]3CCN(C)S3(=O)=O)[n-]c21 ZINC000592608711 546657382 /nfs/dbraw/zinc/65/73/82/546657382.db2.gz ZREDVJPRERAAQZ-SNVBAGLBSA-N -1 3 352.372 0.322 10 0 FCAEHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H]3CCN(C)S3(=O)=O)nc21 ZINC000592608711 546657387 /nfs/dbraw/zinc/65/73/87/546657387.db2.gz ZREDVJPRERAAQZ-SNVBAGLBSA-N -1 3 352.372 0.322 10 0 FCAEHM COC(=O)[C@@H](CCF)[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000593631899 546724740 /nfs/dbraw/zinc/72/47/40/546724740.db2.gz IJAGGUGEUXNIGZ-SNVBAGLBSA-N -1 3 362.354 0.890 10 0 FCAEHM CCOC(=O)c1cn[n-]c1S(=O)(=O)N1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000593668219 546732310 /nfs/dbraw/zinc/73/23/10/546732310.db2.gz VDQSXCRHVFFAFQ-GHMZBOCLSA-N -1 3 359.404 0.153 10 0 FCAEHM CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000593668219 546732317 /nfs/dbraw/zinc/73/23/17/546732317.db2.gz VDQSXCRHVFFAFQ-GHMZBOCLSA-N -1 3 359.404 0.153 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]CC[C@@]2(O)CCOC2)c(Cl)c1 ZINC000593638201 546734142 /nfs/dbraw/zinc/73/41/42/546734142.db2.gz ZKGJVDRRUJROTB-CQSZACIVSA-N -1 3 363.819 0.946 10 0 FCAEHM CC[C@H](C(=O)OC(C)(C)C)N(C)C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000593890440 546761431 /nfs/dbraw/zinc/76/14/31/546761431.db2.gz PIUVHLOOZJHXBO-LLVKDONJSA-N -1 3 374.463 0.277 10 0 FCAEHM CC(=O)Nc1ncc(S(=O)(=O)[N-]Cc2nnc3ccccn32)s1 ZINC000550826992 547108640 /nfs/dbraw/zinc/10/86/40/547108640.db2.gz RGUNCZVKCDCFFF-UHFFFAOYSA-N -1 3 352.401 0.623 10 0 FCAEHM Cc1noc(C(C)(C)[N-]S(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)n1 ZINC000551126928 547126819 /nfs/dbraw/zinc/12/68/19/547126819.db2.gz IDPPYHWXFHNBMF-UHFFFAOYSA-N -1 3 355.420 0.632 10 0 FCAEHM CCOC(=O)[C@](C)(O)C[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000553520501 547285912 /nfs/dbraw/zinc/28/59/12/547285912.db2.gz KWCSQPGZDJFSJW-LLVKDONJSA-N -1 3 356.322 0.693 10 0 FCAEHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)s1 ZINC000553837667 547311566 /nfs/dbraw/zinc/31/15/66/547311566.db2.gz JBNSUSKPGGHHME-SFGNSQDASA-N -1 3 358.445 0.389 10 0 FCAEHM CCS(=O)(=O)C[C@H](C)[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867016288 667717742 /nfs/dbraw/zinc/71/77/42/667717742.db2.gz MYAGQRZVTQCORL-ZETCQYMHSA-N -1 3 374.282 0.284 10 0 FCAEHM COCCN(CCOC)C1CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000898251145 665808220 /nfs/dbraw/zinc/80/82/20/665808220.db2.gz MFSMTQXXMLJAJC-UHFFFAOYSA-N -1 3 350.419 0.479 10 0 FCAEHM COCCN(CCOC)C1CN(C(=O)Cc2c(C)nc(C)[n-]c2=O)C1 ZINC000898254202 665809404 /nfs/dbraw/zinc/80/94/04/665809404.db2.gz GAEKLTBJDJPUAZ-UHFFFAOYSA-N -1 3 352.435 0.147 10 0 FCAEHM COCCOCCCC[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000866684599 665848346 /nfs/dbraw/zinc/84/83/46/665848346.db2.gz PAKLUFNPUWLZMR-UHFFFAOYSA-N -1 3 370.269 0.904 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-]C[C@H](O)C2CC2)c1I ZINC000866840119 663137445 /nfs/dbraw/zinc/13/74/45/663137445.db2.gz BVJMZCBXWGOHCL-ZETCQYMHSA-N -1 3 371.200 0.074 10 0 FCAEHM CCOCCOCCCC(=O)N1CCN(c2nc(C)cc(=O)[n-]2)CC1 ZINC000899495247 665942747 /nfs/dbraw/zinc/94/27/47/665942747.db2.gz RFIBCXQKDRRPFP-UHFFFAOYSA-N -1 3 352.435 0.973 10 0 FCAEHM CC(=O)N1CSC[C@@H]1C(=O)N1CCN(c2nc(C)cc(=O)[n-]2)CC1 ZINC000899500443 665943398 /nfs/dbraw/zinc/94/33/98/665943398.db2.gz IKKDMTZKAKYYQI-GFCCVEGCSA-N -1 3 351.432 0.061 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-][C@@H]2CCSC2)c1I ZINC000866884772 664207041 /nfs/dbraw/zinc/20/70/41/664207041.db2.gz AFYDYGJSGMDXKW-ZCFIWIBFSA-N -1 3 373.241 0.809 10 0 FCAEHM C[C@H](CCO)C[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866894184 664289854 /nfs/dbraw/zinc/28/98/54/664289854.db2.gz ZVWVMPYLCRAFTJ-SSDOTTSWSA-N -1 3 373.216 0.322 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NC2(C(=O)N(C)C)CC2)ccc1F ZINC000840505012 664957918 /nfs/dbraw/zinc/95/79/18/664957918.db2.gz KIFRFFLEDBFIQS-UHFFFAOYSA-N -1 3 371.434 0.863 10 0 FCAEHM O=C([O-])[C@@H](CF)NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000909133990 666225539 /nfs/dbraw/zinc/22/55/39/666225539.db2.gz MONBLLUVBNORDY-HUUCEWRRSA-N -1 3 353.394 0.999 10 0 FCAEHM O=C([O-])[C@H](CF)NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000909133988 666225592 /nfs/dbraw/zinc/22/55/92/666225592.db2.gz MONBLLUVBNORDY-CABCVRRESA-N -1 3 353.394 0.999 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)N1C[C@@H](CO)Cc2cccc(F)c21 ZINC000911689999 666371277 /nfs/dbraw/zinc/37/12/77/666371277.db2.gz LOJPLDJBXLDDGP-LBPRGKRZSA-N -1 3 374.434 0.279 10 0 FCAEHM O=S(=O)([N-][C@@H]1c2ccccc2OC[C@H]1F)C1CCS(=O)(=O)CC1 ZINC000921318796 666432230 /nfs/dbraw/zinc/43/22/30/666432230.db2.gz CTFRWNMUUWAIDO-TZMCWYRMSA-N -1 3 363.432 0.955 10 0 FCAEHM CS(=O)(=O)CCCS(=O)(=O)[N-][C@@H]1c2ccccc2OC[C@@H]1F ZINC000921319002 666432396 /nfs/dbraw/zinc/43/23/96/666432396.db2.gz HIQBZWLXYJMVTP-WCQYABFASA-N -1 3 351.421 0.812 10 0 FCAEHM Cc1cc(S(=O)(=O)[N-]C[C@]2(CO)COCCN2C)sc1Cl ZINC000921338875 666436446 /nfs/dbraw/zinc/43/64/46/666436446.db2.gz RRYDYLJFHDZWPZ-LBPRGKRZSA-N -1 3 354.881 0.681 10 0 FCAEHM CN1CCOC[C@@]1(CO)C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000921339548 666437135 /nfs/dbraw/zinc/43/71/35/666437135.db2.gz HFPCIMQFTZUJQA-LBPRGKRZSA-N -1 3 370.258 0.360 10 0 FCAEHM CO[C@@]1(C[N-]S(=O)(=O)c2cnc(NC(C)=O)s2)CCSC1 ZINC000921401881 666443747 /nfs/dbraw/zinc/44/37/47/666443747.db2.gz KQMJCVGVBVHGIK-LLVKDONJSA-N -1 3 351.475 0.902 10 0 FCAEHM CO[C@]1(C[N-]S(=O)(=O)c2ccc(Cl)cc2F)CCS(=O)(=O)C1 ZINC000921465268 666448639 /nfs/dbraw/zinc/44/86/39/666448639.db2.gz CDGZCJFZHMISLO-LBPRGKRZSA-N -1 3 371.839 0.961 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]C(C)(C)CNS(C)(=O)=O)c(F)c1F ZINC000921488352 666453912 /nfs/dbraw/zinc/45/39/12/666453912.db2.gz SDTDATQCKRVXSC-UHFFFAOYSA-N -1 3 356.416 0.879 10 0 FCAEHM CNC(=O)[C@H](O)C[N-]S(=O)(=O)Cc1ccsc1Br ZINC000914430478 666756470 /nfs/dbraw/zinc/75/64/70/666756470.db2.gz AYHDXXYMJHBYNB-SSDOTTSWSA-N -1 3 357.251 0.037 10 0 FCAEHM CNC(=O)[C@H](O)C[N-]S(=O)(=O)Cc1cccc(F)c1Br ZINC000914431075 666756807 /nfs/dbraw/zinc/75/68/07/666756807.db2.gz VBXXUFJSJBSZDA-SECBINFHSA-N -1 3 369.212 0.115 10 0 FCAEHM COc1ncc(S(=O)(=O)[N-]CCN2C[C@H]3CCCCN3C2=O)s1 ZINC000917677564 667083488 /nfs/dbraw/zinc/08/34/88/667083488.db2.gz MVPURMQQNAWJLE-SNVBAGLBSA-N -1 3 360.461 0.720 10 0 FCAEHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000921612945 667144010 /nfs/dbraw/zinc/14/40/10/667144010.db2.gz OMBQYTUWHRPITL-SCVCMEIPSA-N -1 3 359.375 0.695 10 0 FCAEHM O=S(=O)([N-][C@H](CO)CN1CCOCC1)c1cnc(Cl)c(Cl)c1 ZINC000918989769 667149399 /nfs/dbraw/zinc/14/93/99/667149399.db2.gz UILZEKIILODGKH-VIFPVBQESA-N -1 3 370.258 0.360 10 0 FCAEHM O=S(=O)([N-][C@H](CO)CN1CCOCC1)c1cccc(Cl)c1F ZINC000918990115 667149487 /nfs/dbraw/zinc/14/94/87/667149487.db2.gz XZDOQCWLZOHOBA-JTQLQIEISA-N -1 3 352.815 0.451 10 0 FCAEHM CN(C)[C@H](CC[N-]S(=O)(=O)N=S1(=O)CCCC1)C(F)(F)F ZINC000921636473 667161209 /nfs/dbraw/zinc/16/12/09/667161209.db2.gz YZSKGQYRSQSNKH-SECBINFHSA-N -1 3 351.416 0.965 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCCc2nnc3n2CCC3)ccc1F ZINC000084180106 667169915 /nfs/dbraw/zinc/16/99/15/667169915.db2.gz QEYORUOQCCJXKH-UHFFFAOYSA-N -1 3 367.406 0.244 10 0 FCAEHM CCN(C(=O)C[N-]S(=O)(=O)[C@H]1CC(=O)N(CC)C1)c1ccccc1 ZINC000921002833 667262408 /nfs/dbraw/zinc/26/24/08/667262408.db2.gz KKBGNHQWUYFBRJ-AWEZNQCLSA-N -1 3 353.444 0.580 10 0 FCAEHM CCOC(=O)[C@H](CC1CC1)[N-]S(=O)(=O)N1CCC[C@@H]1C(=O)OCC ZINC000751981548 667497986 /nfs/dbraw/zinc/49/79/86/667497986.db2.gz ITGFJFHAJWBCSA-QWHCGFSZSA-N -1 3 362.448 0.580 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)ccc1F ZINC000752411939 667514445 /nfs/dbraw/zinc/51/44/45/667514445.db2.gz DTJYRPDNLBRHAG-KOLCDFICSA-N -1 3 357.407 0.460 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2CC(N)=O)ccc1F ZINC000752412706 667514554 /nfs/dbraw/zinc/51/45/54/667514554.db2.gz JFGGYUSLWGCRKD-LLVKDONJSA-N -1 3 357.407 0.604 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)ccc1F ZINC000752416157 667515025 /nfs/dbraw/zinc/51/50/25/667515025.db2.gz FASRGNPDRWJZDL-KOLCDFICSA-N -1 3 357.407 0.508 10 0 FCAEHM CCOC(=O)[C@H](CC1CC1)NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000752466592 667517490 /nfs/dbraw/zinc/51/74/90/667517490.db2.gz LVBNHVSFPLJPFG-LBPRGKRZSA-N -1 3 358.416 0.958 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)OCC(=O)N(C)CC2CC2)ccc1F ZINC000752580048 667522149 /nfs/dbraw/zinc/52/21/49/667522149.db2.gz NVYOELMZMINEMW-UHFFFAOYSA-N -1 3 358.391 0.759 10 0 FCAEHM Cn1nccc1[C@@H](O)C[N-]S(=O)(=O)c1cccc(Br)n1 ZINC000921963747 667554860 /nfs/dbraw/zinc/55/48/60/667554860.db2.gz FHIUYTNFOFJISF-VIFPVBQESA-N -1 3 361.221 0.590 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]C2(C(N)=O)CN(C(=O)OC(C)(C)C)C2)o1 ZINC000805077748 667628346 /nfs/dbraw/zinc/62/83/46/667628346.db2.gz HYCVAAPJOAMXDZ-UHFFFAOYSA-N -1 3 359.404 0.341 10 0 FCAEHM COCCCNC(=O)[C@H](C)N1CCN(Cc2nc(C)cc(=O)[n-]2)CC1 ZINC000761877559 667896991 /nfs/dbraw/zinc/89/69/91/667896991.db2.gz WAIKEDBOOSSAEF-AWEZNQCLSA-N -1 3 351.451 0.149 10 0 FCAEHM C[C@@H](OC(=O)Cc1ccc([O-])c(F)c1)C(=O)N(C)CC(=O)NC1CC1 ZINC000838143662 667923257 /nfs/dbraw/zinc/92/32/57/667923257.db2.gz XUCVLTAOQRLFMK-SNVBAGLBSA-N -1 3 352.362 0.743 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CC2(CO)CCOCC2)c(Br)n1 ZINC000866996876 667965577 /nfs/dbraw/zinc/96/55/77/667965577.db2.gz YJMSLUCYLGCYNQ-UHFFFAOYSA-N -1 3 368.253 0.250 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NC2(CCO)CCOCC2)ccc1F ZINC000765653042 668010931 /nfs/dbraw/zinc/01/09/31/668010931.db2.gz VDDKRHQAKHETRV-UHFFFAOYSA-N -1 3 360.407 0.395 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C(N)=O)nc2)ccc1F ZINC000767085075 668044730 /nfs/dbraw/zinc/04/47/30/668044730.db2.gz AUVUYSDBLUCEKQ-UHFFFAOYSA-N -1 3 352.347 0.480 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)O[C@@H]2CCCNC2=O)ccc1F ZINC000767281318 668048937 /nfs/dbraw/zinc/04/89/37/668048937.db2.gz YSRTXDITJBUDCM-GFCCVEGCSA-N -1 3 358.391 0.948 10 0 FCAEHM Cn1ncc(NC(=O)C(=O)NCc2nc(C(F)(F)F)n[n-]2)c1C1CC1 ZINC000773879698 668110668 /nfs/dbraw/zinc/11/06/68/668110668.db2.gz VVZMZENDNASFON-UHFFFAOYSA-N -1 3 357.296 0.689 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCOC[C@H]2CCO)ccc1F ZINC000769053340 668111946 /nfs/dbraw/zinc/11/19/46/668111946.db2.gz DYKQWEWTGXPDPR-CYBMUJFWSA-N -1 3 374.434 0.736 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]Cc2cccc(N3CCOCC3)n2)nc1Cl ZINC000774893933 668181370 /nfs/dbraw/zinc/18/13/70/668181370.db2.gz RYZPDWXOUMARHF-UHFFFAOYSA-N -1 3 371.850 0.784 10 0 FCAEHM CNS(=O)(=O)CCCOC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000777049720 668305590 /nfs/dbraw/zinc/30/55/90/668305590.db2.gz UFISQFRZENMOID-UHFFFAOYSA-N -1 3 350.418 0.154 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)OCCN1CCCc2ccccc21 ZINC000772758962 668327067 /nfs/dbraw/zinc/32/70/67/668327067.db2.gz ICVKECZMTZRUEW-UHFFFAOYSA-N -1 3 370.471 0.938 10 0 FCAEHM O=C(CCN1CCCS1(=O)=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000783054634 668595962 /nfs/dbraw/zinc/59/59/62/668595962.db2.gz BSPPOXPKRHTFQK-UHFFFAOYSA-N -1 3 367.383 0.911 10 0 FCAEHM C[C@H](CC(=O)NCc1cn(C)nn1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000783618983 668623851 /nfs/dbraw/zinc/62/38/51/668623851.db2.gz QTIUKTSYSTWKDX-SECBINFHSA-N -1 3 372.838 0.237 10 0 FCAEHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]CCC2CS(=O)(=O)C2)c1 ZINC000786874275 668779617 /nfs/dbraw/zinc/77/96/17/668779617.db2.gz KVGQPQXSKUISRA-UHFFFAOYSA-N -1 3 365.404 0.325 10 0 FCAEHM O=C(OCCC1CS(=O)(=O)C1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000790645822 668879978 /nfs/dbraw/zinc/87/99/78/668879978.db2.gz GQDAWUVAGQQZRB-AWEZNQCLSA-N -1 3 367.423 0.975 10 0 FCAEHM C[C@@](O)(Cn1ccccc1=O)C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000790672120 668880444 /nfs/dbraw/zinc/88/04/44/668880444.db2.gz RPKIQDNNTBQLEV-MRXNPFEDSA-N -1 3 364.379 0.161 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)OCC(=O)[C@H]1Cc2ccccc21 ZINC000795545727 669042712 /nfs/dbraw/zinc/04/27/12/669042712.db2.gz MVMVTLWFQFMXMU-AWEZNQCLSA-N -1 3 355.412 0.395 10 0 FCAEHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]CCc2nnnn2C)c1 ZINC000795909393 669070638 /nfs/dbraw/zinc/07/06/38/669070638.db2.gz PODBQJDRCMJEBB-UHFFFAOYSA-N -1 3 357.367 0.047 10 0 FCAEHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H]2CCN(CC)C2=O)c1 ZINC000795980044 669074838 /nfs/dbraw/zinc/07/48/38/669074838.db2.gz WFAIQOAGQYVSPJ-LBPRGKRZSA-N -1 3 358.391 0.902 10 0 FCAEHM O=C(/C=C/c1ccncn1)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000799408357 669296973 /nfs/dbraw/zinc/29/69/73/669296973.db2.gz NHZJMWUAFUUBBU-DUXPYHPUSA-N -1 3 368.365 0.863 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)[C@H]1CSC(=O)N1 ZINC000799741898 669313144 /nfs/dbraw/zinc/31/31/44/669313144.db2.gz YZSSSJVTLWUTPL-SECBINFHSA-N -1 3 365.383 0.184 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2CCN(C(C)=O)C2)ccc1F ZINC000808267434 669554851 /nfs/dbraw/zinc/55/48/51/669554851.db2.gz FOZSMKCSWZEFNH-LLVKDONJSA-N -1 3 357.407 0.332 10 0 FCAEHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CC[C@@H](O)[C@@H](O)C1 ZINC000827599096 669582451 /nfs/dbraw/zinc/58/24/51/669582451.db2.gz KLAPXOFSIAJQRV-OLZOCXBDSA-N -1 3 367.199 0.858 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-]C2(CO)CCC2)c1I ZINC000867056578 669654538 /nfs/dbraw/zinc/65/45/38/669654538.db2.gz UJGZWFBJNVMRII-UHFFFAOYSA-N -1 3 371.200 0.218 10 0 FCAEHM CC(C)(C)OC(=O)COCC(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000830414297 669781982 /nfs/dbraw/zinc/78/19/82/669781982.db2.gz PMPCPHULJDRMMS-UHFFFAOYSA-N -1 3 357.384 0.906 10 0 FCAEHM Cc1cc(CS(=O)(=O)[N-][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)no1 ZINC000832569224 669909694 /nfs/dbraw/zinc/90/96/94/669909694.db2.gz BHHVSODJGNKAJO-VXGBXAGGSA-N -1 3 361.420 0.383 10 0 FCAEHM CC(C)OCCS(=O)(=O)[N-]CC(=O)OCc1nn(C)cc1Cl ZINC000817184675 670003281 /nfs/dbraw/zinc/00/32/81/670003281.db2.gz QGFNMNCXVDYHIT-UHFFFAOYSA-N -1 3 353.828 0.461 10 0 FCAEHM COC(=O)CNC(=O)COC(=O)c1cc(Br)c(F)cc1[O-] ZINC000837780162 670129474 /nfs/dbraw/zinc/12/94/74/670129474.db2.gz JTZUWWGVYKBEQY-UHFFFAOYSA-N -1 3 364.123 0.740 10 0 FCAEHM CO[C@@H](C[N-]S(=O)(=O)c1cnn(C)c1Br)[C@@H]1CCOC1 ZINC000867496589 670138282 /nfs/dbraw/zinc/13/82/82/670138282.db2.gz FVSPQJIBLXDEAL-BDAKNGLRSA-N -1 3 368.253 0.512 10 0 FCAEHM C[C@@]1(O)C[C@H]([N-]S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)C1 ZINC000841573278 670598920 /nfs/dbraw/zinc/59/89/20/670598920.db2.gz KYEBLXVSAMPOOS-XGAOUMNUSA-N -1 3 359.878 0.997 10 0 FCAEHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CNCCC1(F)F ZINC000842893202 670752253 /nfs/dbraw/zinc/75/22/53/670752253.db2.gz JIRHCQKZGKOAGT-MRVPVSSYSA-N -1 3 369.777 0.797 10 0 FCAEHM CC[C@@H]([N-]S(=O)(=O)c1cnn(C)c1I)[C@@H](C)O ZINC000867352767 670917809 /nfs/dbraw/zinc/91/78/09/670917809.db2.gz HIQYBYWFTRYKHB-RNFRBKRXSA-N -1 3 373.216 0.462 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)OCC(=O)c1ccccc1O ZINC000845077642 670963063 /nfs/dbraw/zinc/96/30/63/670963063.db2.gz ZXYICXIZHYOTOW-UHFFFAOYSA-N -1 3 368.367 0.701 10 0 FCAEHM CCON(C)C(=O)C[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC ZINC000846004237 671065871 /nfs/dbraw/zinc/06/58/71/671065871.db2.gz KEQZDKGUFUDMSN-UHFFFAOYSA-N -1 3 364.807 0.815 10 0 FCAEHM O=C(NCC[C@]1(O)CCOC1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000846453569 671113110 /nfs/dbraw/zinc/11/31/10/671113110.db2.gz UTRCZXJIZVPTNG-INIZCTEOSA-N -1 3 372.418 0.538 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)OCc1cnc(Cl)c(F)c1 ZINC000848729597 671293504 /nfs/dbraw/zinc/29/35/04/671293504.db2.gz CGDDWDMPZGZJFR-UHFFFAOYSA-N -1 3 354.787 0.873 10 0 FCAEHM CO[C@@H]1CCC[C@H]([C@@H](CO)[N-]S(=O)(=O)c2cn(C)c(Cl)n2)C1 ZINC000849422613 671341101 /nfs/dbraw/zinc/34/11/01/671341101.db2.gz CRDZXUSPLVHYST-HBNTYKKESA-N -1 3 351.856 0.918 10 0 FCAEHM CO[C@@H]1CCC[C@@H]([C@@H](CO)[N-]S(=O)(=O)c2cn(C)c(Cl)n2)C1 ZINC000849422611 671341300 /nfs/dbraw/zinc/34/13/00/671341300.db2.gz CRDZXUSPLVHYST-GMTAPVOTSA-N -1 3 351.856 0.918 10 0 FCAEHM O=S(=O)([N-]C[C@]1(OCCO)CCOC1)c1cnc(Cl)c(Cl)c1 ZINC000849428378 671342092 /nfs/dbraw/zinc/34/20/92/671342092.db2.gz XMDYHZOAKLSOGM-GFCCVEGCSA-N -1 3 371.242 0.835 10 0 FCAEHM COCc1nc(C[N-]S(=O)(=O)c2cc(C(=O)OC)cc(C)c2F)n[nH]1 ZINC000849439451 671345730 /nfs/dbraw/zinc/34/57/30/671345730.db2.gz YHYOMXQWOCKKNF-UHFFFAOYSA-N -1 3 372.378 0.664 10 0 FCAEHM CCc1ncc(S(=O)(=O)[N-]CCS(=O)(=O)CC(F)(F)F)s1 ZINC000849441326 671346215 /nfs/dbraw/zinc/34/62/15/671346215.db2.gz RPACFOAFPOTUPT-UHFFFAOYSA-N -1 3 366.408 0.961 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000849450983 671348217 /nfs/dbraw/zinc/34/82/17/671348217.db2.gz DPYYBRNBCGJILF-CBAPKCEASA-N -1 3 355.869 0.626 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]C[C@]12OCCC[C@H]1C2(F)F)[C@H]1CCOC1 ZINC000849459787 671349202 /nfs/dbraw/zinc/34/92/02/671349202.db2.gz VJEIAKBXJDWECZ-RVMXOQNASA-N -1 3 355.403 0.772 10 0 FCAEHM COCCN(CCF)C(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC000855593971 671653985 /nfs/dbraw/zinc/65/39/85/671653985.db2.gz HHFDHCCKTYOXNL-UHFFFAOYSA-N -1 3 353.325 0.932 10 0 FCAEHM COCCN(CCF)C(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000855593971 671653988 /nfs/dbraw/zinc/65/39/88/671653988.db2.gz HHFDHCCKTYOXNL-UHFFFAOYSA-N -1 3 353.325 0.932 10 0 FCAEHM O=C(NC[C@@H]1CCC(=O)N1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000855933203 671670506 /nfs/dbraw/zinc/67/05/06/671670506.db2.gz BCTXLQKTQFNBTI-NSHDSACASA-N -1 3 355.391 0.275 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC(=O)N2)ccc1F ZINC000855933245 671670534 /nfs/dbraw/zinc/67/05/34/671670534.db2.gz CMJCMKWZJCXGQA-NSHDSACASA-N -1 3 357.407 0.521 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)N2CC(C3CS(=O)(=O)C3)C2)c([O-])c1 ZINC000857276611 671722804 /nfs/dbraw/zinc/72/28/04/671722804.db2.gz SEPZBKSWGCVGQR-UHFFFAOYSA-N -1 3 366.439 0.324 10 0 FCAEHM O=C(N[C@H]1Cc2cncn2C1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000857888709 671745334 /nfs/dbraw/zinc/74/53/34/671745334.db2.gz ZSGQJADYQUXWIO-LBPRGKRZSA-N -1 3 364.402 0.818 10 0 FCAEHM COCCN(C)CCNC(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC000859115053 671794389 /nfs/dbraw/zinc/79/43/89/671794389.db2.gz RXAIKSIMFDQMBF-UHFFFAOYSA-N -1 3 351.325 0.766 10 0 FCAEHM CCO[C@H](CS(=O)(=O)[N-]CC(=O)N(C)OCC(F)(F)F)C1CC1 ZINC000859235946 671803235 /nfs/dbraw/zinc/80/32/35/671803235.db2.gz YYMQGUNFHPONLG-SNVBAGLBSA-N -1 3 362.370 0.673 10 0 FCAEHM CCON(CC)C(=O)C[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1F ZINC000859272219 671806370 /nfs/dbraw/zinc/80/63/70/671806370.db2.gz OWHWRWWTNBZLRF-UHFFFAOYSA-N -1 3 362.379 0.691 10 0 FCAEHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C[C@@H](O)[C@H]2CCCO2)c1F ZINC000859284806 671809098 /nfs/dbraw/zinc/80/90/98/671809098.db2.gz RGWBMTZBZDXCFW-NXEZZACHSA-N -1 3 365.354 0.570 10 0 FCAEHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]C[C@H](O)[C@@H]2CCCO2)c1 ZINC000859287337 671810201 /nfs/dbraw/zinc/81/02/01/671810201.db2.gz MSPYTJCAGAQJAW-RYUDHWBXSA-N -1 3 361.391 0.739 10 0 FCAEHM COC(=O)[C@@H](C[C@H]1CCCOC1)[N-]S(=O)(=O)CCCOC(C)=O ZINC000859341201 671817508 /nfs/dbraw/zinc/81/75/08/671817508.db2.gz CGIZJPGFACZOER-CHWSQXEVSA-N -1 3 351.421 0.217 10 0 FCAEHM COC(=O)[C@H](C[C@@H]1CCCOC1)[N-]S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000859342033 671817666 /nfs/dbraw/zinc/81/76/66/671817666.db2.gz MKZURMBFGIQGHN-UWVGGRQHSA-N -1 3 365.839 0.710 10 0 FCAEHM NS(=O)(=O)NC1CCN(Cc2cc(=O)oc3cc([O-])ccc23)CC1 ZINC000859956649 671857628 /nfs/dbraw/zinc/85/76/28/671857628.db2.gz GSGGLWVQDMGXQO-UHFFFAOYSA-N -1 3 353.400 0.256 10 0 FCAEHM O=C(COC(=O)c1cn(C[C@@H]2CCOC2)nn1)[N-]C(=O)c1cccs1 ZINC000860129278 671872080 /nfs/dbraw/zinc/87/20/80/671872080.db2.gz YHAJHNDDZJPCEW-JTQLQIEISA-N -1 3 364.383 0.490 10 0 FCAEHM COc1nnc(NC(=O)[C@]23CN(C(=O)OC(C)(C)C)C[C@H]2CCO3)[n-]1 ZINC000860535297 671894687 /nfs/dbraw/zinc/89/46/87/671894687.db2.gz HSNGETYRVWHRMR-PSLIRLAXSA-N -1 3 353.379 0.778 10 0 FCAEHM COc1nc(NC(=O)[C@]23CN(C(=O)OC(C)(C)C)C[C@H]2CCO3)n[n-]1 ZINC000860535297 671894694 /nfs/dbraw/zinc/89/46/94/671894694.db2.gz HSNGETYRVWHRMR-PSLIRLAXSA-N -1 3 353.379 0.778 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@]23CN(C(=O)OC(C)(C)C)C[C@H]2CCO3)n1 ZINC000860535297 671894700 /nfs/dbraw/zinc/89/47/00/671894700.db2.gz HSNGETYRVWHRMR-PSLIRLAXSA-N -1 3 353.379 0.778 10 0 FCAEHM COC(=O)CCCO[N-]C(=O)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000861502472 671966743 /nfs/dbraw/zinc/96/67/43/671966743.db2.gz LHEYJASWGXHULW-UHFFFAOYSA-N -1 3 351.359 0.108 10 0 FCAEHM CCn1ncc(CNC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)n1 ZINC000862384310 672047035 /nfs/dbraw/zinc/04/70/35/672047035.db2.gz UYLBWHXPPZQKEA-UHFFFAOYSA-N -1 3 363.852 0.608 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2C[C@H](C(N)=O)C2)ccc1F ZINC000862819185 672079663 /nfs/dbraw/zinc/07/96/63/672079663.db2.gz NOJWGDHZLZNZNJ-XYPYZODXSA-N -1 3 357.407 0.506 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@](C)(COC)C2)ccc1F ZINC000863830564 672158131 /nfs/dbraw/zinc/15/81/31/672158131.db2.gz YSHFOJFTYQOGSO-HNNXBMFYSA-N -1 3 360.407 0.611 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]CCN2CCN(c3ccccc3)CC2)nn1 ZINC000866473192 672276112 /nfs/dbraw/zinc/27/61/12/672276112.db2.gz MFTNRHPLKIXLLI-UHFFFAOYSA-N -1 3 361.471 0.886 10 0 FCAEHM C[C@H](C[N-]S(=O)(=O)c1cn(C)nc1Br)N1CCCC1 ZINC000866490096 672277708 /nfs/dbraw/zinc/27/77/08/672277708.db2.gz HAHRRCSNOLBUDR-SECBINFHSA-N -1 3 351.270 0.945 10 0 FCAEHM COC[C@H](C)C[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866606015 672284413 /nfs/dbraw/zinc/28/44/13/672284413.db2.gz QYTRYHLDBRUSEA-SSDOTTSWSA-N -1 3 373.216 0.586 10 0 FCAEHM CC[C@@](C)([N-]S(=O)(=O)c1cn(C)nc1Br)C(=O)OC ZINC000866680301 672287400 /nfs/dbraw/zinc/28/74/00/672287400.db2.gz CZBJEMODEPEION-SNVBAGLBSA-N -1 3 354.226 0.803 10 0 FCAEHM CO[C@H](C)CC[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866706971 672289790 /nfs/dbraw/zinc/28/97/90/672289790.db2.gz FCOIREYGPYIVSC-SSDOTTSWSA-N -1 3 373.216 0.728 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-]Cc2cocn2)c1I ZINC000866750887 672297725 /nfs/dbraw/zinc/29/77/25/672297725.db2.gz SWOYQZSNKYIYQP-UHFFFAOYSA-N -1 3 368.156 0.491 10 0 FCAEHM CC[C@@H](CO)[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866828871 672314745 /nfs/dbraw/zinc/31/47/45/672314745.db2.gz OZFVBJCWOIVISI-LURJTMIESA-N -1 3 359.189 0.074 10 0 FCAEHM C[C@@H](O)CC[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866832327 672315512 /nfs/dbraw/zinc/31/55/12/672315512.db2.gz FKUYNLPYGFULDR-ZCFIWIBFSA-N -1 3 359.189 0.074 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-]CCO[C@H]2CC2(F)F)c1Br ZINC000867510660 672328337 /nfs/dbraw/zinc/32/83/37/672328337.db2.gz DWARRIQEDJRREF-ZETCQYMHSA-N -1 3 360.180 0.885 10 0 FCAEHM COC(=O)C1=CC[C@H]([N-]S(=O)(=O)c2cnn(C)c2Br)C1 ZINC000867556727 672336501 /nfs/dbraw/zinc/33/65/01/672336501.db2.gz GJUQYICIJLBLJT-QMMMGPOBSA-N -1 3 364.221 0.723 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-]C[C@@H](O)[C@@H]2CCCO2)c1Br ZINC000867558186 672336829 /nfs/dbraw/zinc/33/68/29/672336829.db2.gz WOHVEMVANSHKER-SFYZADRCSA-N -1 3 354.226 0.001 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CN(Cc3ccncc3)CCO2)nn1 ZINC000867566740 672338517 /nfs/dbraw/zinc/33/85/17/672338517.db2.gz UQTQNAVQKIJNME-OAHLLOKOSA-N -1 3 363.443 0.359 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-][C@H]2C[C@@H](CO)C2)c1I ZINC000867587177 672342615 /nfs/dbraw/zinc/34/26/15/672342615.db2.gz ZKVJYJOPRPVFNS-KNVOCYPGSA-N -1 3 371.200 0.074 10 0 FCAEHM COC(=O)[C@H](CCC1OCCO1)[N-]S(=O)(=O)Cc1cccc(F)c1 ZINC000867763394 672364782 /nfs/dbraw/zinc/36/47/82/672364782.db2.gz XOCOIZJYHDEURJ-ZDUSSCGKSA-N -1 3 361.391 0.940 10 0 FCAEHM COC(=O)C1CC([N-]S(=O)(=O)c2cn(C)nc2Br)C1 ZINC000867768859 672365811 /nfs/dbraw/zinc/36/58/11/672365811.db2.gz IGTRCXBSJBJZAK-UHFFFAOYSA-N -1 3 352.210 0.413 10 0 FCAEHM Cn1cc([C@@H]2[C@@H](C[N-]S(=O)(=O)c3ccco3)CCC(=O)N2C)cn1 ZINC000886088662 673557546 /nfs/dbraw/zinc/55/75/46/673557546.db2.gz DYXUSBNIZLQUBY-ABAIWWIYSA-N -1 3 352.416 0.901 10 0 FCAEHM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]C[C@@H](C)N1CCCCC1=O ZINC000800939722 675718951 /nfs/dbraw/zinc/71/89/51/675718951.db2.gz QZLFDOPYIFETQL-SNVBAGLBSA-N -1 3 372.447 0.574 10 0 FCAEHM COC[C@@H](O)C[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000801705571 675801662 /nfs/dbraw/zinc/80/16/62/675801662.db2.gz XXDYJLXPVCAPDQ-QMMMGPOBSA-N -1 3 372.212 0.882 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NCc1cn(C)nn1 ZINC000092877316 1168400577 /nfs/dbraw/zinc/40/05/77/1168400577.db2.gz PVQNSAWXBZGKER-UHFFFAOYSA-N -1 3 353.386 0.518 10 0 FCAEHM CO[C@@H](C)CC(=O)N1CC[C@@H]2CN(C(=O)c3c(C)nc[n-]c3=O)C[C@@H]2C1 ZINC001719582797 1168447736 /nfs/dbraw/zinc/44/77/36/1168447736.db2.gz HYQHUHSIZBWISA-YUTCNCBUSA-N -1 3 362.430 0.836 10 0 FCAEHM COC(=O)c1cccc2[n-]c(NC(=O)CN3CCCCC(=O)C3=O)nc21 ZINC001266467420 1168480202 /nfs/dbraw/zinc/48/02/02/1168480202.db2.gz QYIFWZLYIPQNPK-UHFFFAOYSA-N -1 3 358.354 0.870 10 0 FCAEHM Cn1[n-]c(CNC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccncc2)C2CC2)nc1=O ZINC001670469545 1169325041 /nfs/dbraw/zinc/32/50/41/1169325041.db2.gz JWHFUQCOEOQUST-ZNMIVQPWSA-N -1 3 356.430 0.292 10 0 FCAEHM C[C@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)NCc1cc(=O)n2[n-]ccc2n1 ZINC001266954554 1171071864 /nfs/dbraw/zinc/07/18/64/1171071864.db2.gz VAKHRQBCASNVDL-CXUUEIJPSA-N -1 3 359.430 0.432 10 0 FCAEHM CN(Cc1cc(=O)[n-]c(N)n1)[C@@H]1CCN(C(=O)c2n[nH]c3ccccc32)C1 ZINC000548680025 1171706493 /nfs/dbraw/zinc/70/64/93/1171706493.db2.gz ANYZUEFBAARXGM-GFCCVEGCSA-N -1 3 367.413 0.987 10 0 FCAEHM COCCN(CCOC)C1CN(C(=O)c2cc(NC(C)=O)ccc2[O-])C1 ZINC000898254500 1192864583 /nfs/dbraw/zinc/86/45/83/1192864583.db2.gz KFAOCYNEZRKRIW-UHFFFAOYSA-N -1 3 365.430 0.770 10 0 FCAEHM Cc1cc(=O)[n-]c(CNC(=O)CN2CCN(Cc3ccccc3)CC2)n1 ZINC000898265413 1192864924 /nfs/dbraw/zinc/86/49/24/1192864924.db2.gz KKZSOMOGTYHRDR-UHFFFAOYSA-N -1 3 355.442 0.925 10 0 FCAEHM CC[C@@H](CNC(=O)[C@@H]1CCO[C@H]1CC)NCc1cc(=O)n2[n-]ccc2n1 ZINC001269441761 1187849392 /nfs/dbraw/zinc/84/93/92/1187849392.db2.gz AGFOBVHPNLAXPD-CFVMTHIKSA-N -1 3 361.446 0.822 10 0 FCAEHM O=C(NC1(CNC(=O)[C@]23C[C@H]2COC3)CC1)c1cc(=O)[n-]c(C2CC2)n1 ZINC001299181063 1190811294 /nfs/dbraw/zinc/81/12/94/1190811294.db2.gz XFHVDOQVEGQJRY-VOJFVSQTSA-N -1 3 358.398 0.475 10 0 FCAEHM CCOC(=O)c1ccc(NC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)c([O-])c1 ZINC000760208889 1191101314 /nfs/dbraw/zinc/10/13/14/1191101314.db2.gz IKXLQDVVFQFKAZ-SOFGYWHQSA-N -1 3 373.365 0.618 10 0 FCAEHM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N1CC(N2CCCC2)C1 ZINC000898610658 1194051060 /nfs/dbraw/zinc/05/10/60/1194051060.db2.gz NFJJKNVMZDVAOJ-UHFFFAOYSA-N -1 3 354.414 0.797 10 0 FCAEHM COC(=O)c1cc(C)nc2nc(SCC(=O)c3cn(C)nn3)[n-]c(=O)c12 ZINC000593424246 1196630082 /nfs/dbraw/zinc/63/00/82/1196630082.db2.gz VQBYUQQEQUFISB-UHFFFAOYSA-N -1 3 374.382 0.929 10 0 FCAEHM CN1CCN(c2cc(C(=O)N3CCC(c4nnn[n-]4)CC3)ccn2)CC1 ZINC000736868553 1197938114 /nfs/dbraw/zinc/93/81/14/1197938114.db2.gz SURUYMJMRMMRLK-UHFFFAOYSA-N -1 3 356.434 0.366 10 0 FCAEHM CN1CCN(c2cc(C(=O)N3CCC(c4nn[n-]n4)CC3)ccn2)CC1 ZINC000736868553 1197938121 /nfs/dbraw/zinc/93/81/21/1197938121.db2.gz SURUYMJMRMMRLK-UHFFFAOYSA-N -1 3 356.434 0.366 10 0 FCAEHM Cc1cc(N2CC[C@@H](OC(=O)Cc3c(C)nc(C)[n-]c3=O)C2=O)n(C)n1 ZINC000744737480 1198328196 /nfs/dbraw/zinc/32/81/96/1198328196.db2.gz VLTZQCRUSYYCOQ-CYBMUJFWSA-N -1 3 359.386 0.732 10 0 FCAEHM NC(=O)[C@H]1CC(C(=O)NCc2ncccc2[O-])=NN1c1ccc(F)cc1 ZINC000792612806 1201206811 /nfs/dbraw/zinc/20/68/11/1201206811.db2.gz KFRNCHYUNISYJO-CQSZACIVSA-N -1 3 357.345 0.663 10 0 FCAEHM CN(C)c1nc(C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C)cc(=O)[n-]1 ZINC000819552743 1203164423 /nfs/dbraw/zinc/16/44/23/1203164423.db2.gz URELXIMNMVYZPL-SNVBAGLBSA-N -1 3 369.422 0.206 10 0 FCAEHM CC(C)(C)C(=O)NCC(=O)OCCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001136497344 1203216557 /nfs/dbraw/zinc/21/65/57/1203216557.db2.gz GUJSZKYKACIOCO-UHFFFAOYSA-N -1 3 374.401 0.901 10 0 FCAEHM CC(C)(C)C(=O)NCC(=O)OCCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001136497344 1203216560 /nfs/dbraw/zinc/21/65/60/1203216560.db2.gz GUJSZKYKACIOCO-UHFFFAOYSA-N -1 3 374.401 0.901 10 0 FCAEHM Cn1cc(C(=O)COC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])nn1 ZINC000845093989 1204471211 /nfs/dbraw/zinc/47/12/11/1204471211.db2.gz JDFKPEOCAYTXGU-ZDUSSCGKSA-N -1 3 358.354 0.551 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC[C@H](O)c1c[nH]cn1 ZINC001177837300 1206348224 /nfs/dbraw/zinc/34/82/24/1206348224.db2.gz JPBZEHIXWHPZKM-HNNXBMFYSA-N -1 3 368.397 0.646 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccc(-n2ccnn2)cc1 ZINC001180027865 1206387872 /nfs/dbraw/zinc/38/78/72/1206387872.db2.gz NZODVFUDCAARRZ-CYBMUJFWSA-N -1 3 351.370 0.772 10 0 FCAEHM Cc1cc(C2(C(=O)N[C@H]3CCN(c4cc(=O)[n-]cn4)C3)CCOCC2)on1 ZINC001180027089 1206388058 /nfs/dbraw/zinc/38/80/58/1206388058.db2.gz CRKPHGMQEZVVEH-ZDUSSCGKSA-N -1 3 373.413 0.922 10 0 FCAEHM Cn1nccc1[C@@H]1C[C@@H](NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)CCO1 ZINC001183468511 1206453994 /nfs/dbraw/zinc/45/39/94/1206453994.db2.gz GHOCCHGKLLGVBX-NHYWBVRUSA-N -1 3 354.366 0.954 10 0 FCAEHM CN(Cc1cc(=O)n2nc(N)[n-]c2n1)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC001197484938 1208166971 /nfs/dbraw/zinc/16/69/71/1208166971.db2.gz ZSWZHJVVIFJPHP-ZDUSSCGKSA-N -1 3 369.385 0.457 10 0 FCAEHM COC(=O)[C@H]1CN(C)C(=O)CN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC001198428075 1208249638 /nfs/dbraw/zinc/24/96/38/1208249638.db2.gz AOYURCPOIDODDT-LLVKDONJSA-N -1 3 370.365 0.897 10 0 FCAEHM C[C@]1(C(=O)N[C@@H](CO)CNC(=O)c2cnc[n-]c2=O)C[C@@H]1c1ccccc1 ZINC001488024698 1208423237 /nfs/dbraw/zinc/42/32/37/1208423237.db2.gz JHUKNAXPRKDNBV-MUKKUYKPSA-N -1 3 370.409 0.583 10 0 FCAEHM CC(C)c1nccn1CC(=O)NC[C@H]1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001488953632 1208583111 /nfs/dbraw/zinc/58/31/11/1208583111.db2.gz FKXKNNLTQBEXLW-QWHCGFSZSA-N -1 3 361.450 0.905 10 0 FCAEHM CCO[C@@H]1CN(C(=O)CC2(OC)CCC2)C[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001489008073 1208604031 /nfs/dbraw/zinc/60/40/31/1208604031.db2.gz ARSUFISLMQDFTI-CHWSQXEVSA-N -1 3 367.450 0.423 10 0 FCAEHM Cc1cccnc1CN1CC[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)[C@H]1C ZINC001489297242 1208727500 /nfs/dbraw/zinc/72/75/00/1208727500.db2.gz FXNFKJMDKFRPED-CABCVRRESA-N -1 3 371.441 0.409 10 0 FCAEHM CO[C@@H]1CN(C(=O)CC2(C(F)(F)F)CC2)C[C@H]1NC(=O)c1cn[n-]n1 ZINC001489531492 1208882691 /nfs/dbraw/zinc/88/26/91/1208882691.db2.gz JCWURTBNJOKBOI-NXEZZACHSA-N -1 3 361.324 0.493 10 0 FCAEHM CO[C@@H]1CN(C(=O)[C@@H](C)CSC)C[C@H]1NC(=O)c1cnc[n-]c1=O ZINC001489528060 1208883137 /nfs/dbraw/zinc/88/31/37/1208883137.db2.gz IDIQPRNPTYGBLT-MVWJERBFSA-N -1 3 354.432 0.137 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](NC(=O)C(C)(C)C(C)C)[C@@H](O)C1 ZINC001489582892 1208996988 /nfs/dbraw/zinc/99/69/88/1208996988.db2.gz HLYQEKBXHUUIGK-NEPJUHHUSA-N -1 3 350.419 0.474 10 0 FCAEHM CCCC[C@@H](CC)C(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1 ZINC001489593270 1209016113 /nfs/dbraw/zinc/01/61/13/1209016113.db2.gz ATXBHPOSDUSHPU-BNOWGMLFSA-N -1 3 350.419 0.700 10 0 FCAEHM CCOCCCC(=O)N1C[C@H]2CCN(C(=O)c3c(C)nc[n-]c3=O)C[C@H]21 ZINC001489637457 1209068784 /nfs/dbraw/zinc/06/87/84/1209068784.db2.gz KXTBXEFTPVGWEX-ZIAGYGMSSA-N -1 3 362.430 0.980 10 0 FCAEHM C[C@@]1(CCC(=O)NC[C@H]2CC[C@@H](NC(=O)c3cn[n-]n3)C2)CCC(=O)N1 ZINC001489889841 1209110612 /nfs/dbraw/zinc/11/06/12/1209110612.db2.gz LUQJUUUPEAPZGY-XWCIJXRUSA-N -1 3 362.434 0.268 10 0 FCAEHM C[C@@H]1CCN(C(=O)c2cnc[n-]c2=O)[C@H](CNC(=O)CC(=O)N(C)C)C1 ZINC001489952352 1209177671 /nfs/dbraw/zinc/17/76/71/1209177671.db2.gz GXWJWYZIXYEGDQ-NEPJUHHUSA-N -1 3 363.418 0.017 10 0 FCAEHM O=C(C[C@@H]1C[C@H]1C1CC1)NCc1cc(=O)[n-]c(CNC(=O)c2ncc[nH]2)n1 ZINC001489968624 1209184995 /nfs/dbraw/zinc/18/49/95/1209184995.db2.gz RYDSQYIKHAIEJG-AAEUAGOBSA-N -1 3 370.413 0.888 10 0 FCAEHM CO[C@@H](C)CC(=O)N[C@H]1CCN(C(=O)CCc2c(C)nc[n-]c2=O)[C@@H]1C ZINC001490078295 1209215938 /nfs/dbraw/zinc/21/59/38/1209215938.db2.gz MONGVNMRPXIGPS-LNSITVRQSA-N -1 3 364.446 0.954 10 0 FCAEHM CNC(=O)CCCC(=O)N1CC[C@H](NC(=O)c2c(C)nc[n-]c2=O)[C@H]1C ZINC001490122799 1209244386 /nfs/dbraw/zinc/24/43/86/1209244386.db2.gz AJCHPPZIPYMJAR-NEPJUHHUSA-N -1 3 363.418 0.126 10 0 FCAEHM C[C@H](CC(N)=O)C(=O)N1CC[C@H](NC(=O)c2cccc3n[n-]nc32)[C@H]1C ZINC001490094896 1209253309 /nfs/dbraw/zinc/25/33/09/1209253309.db2.gz CMLAMGXCEABXMZ-FOGDFJRCSA-N -1 3 358.402 0.189 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1CNC(=O)C[C@@H]1CCNC1=O ZINC001490314692 1209313241 /nfs/dbraw/zinc/31/32/41/1209313241.db2.gz SKSKZCGTLDARIA-HZSPNIEDSA-N -1 3 359.426 0.743 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNC(=O)CCc1cnc[nH]1 ZINC001490321149 1209316737 /nfs/dbraw/zinc/31/67/37/1209316737.db2.gz PKIBMGWUDKPWML-CHWSQXEVSA-N -1 3 357.414 0.967 10 0 FCAEHM COCCCCC(=O)N1C[C@@H](CNC(=O)c2cnc[n-]c2=O)[C@H](C)C1 ZINC001490322397 1209317474 /nfs/dbraw/zinc/31/74/74/1209317474.db2.gz SWRZQOBJTYZCER-CHWSQXEVSA-N -1 3 350.419 0.823 10 0 FCAEHM CC[C@@H](C(=O)NC[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1C)N(C)C ZINC001490333293 1209322331 /nfs/dbraw/zinc/32/23/31/1209322331.db2.gz AXTURRCACFSKJU-RTXFEEFZSA-N -1 3 351.451 0.588 10 0 FCAEHM CCN(CCCNC(=O)[C@]12CCC[C@H]1OCC2)Cc1nc(=O)n(C)[n-]1 ZINC001490337448 1209324341 /nfs/dbraw/zinc/32/43/41/1209324341.db2.gz YALOCFHYPMUGMK-DYVFJYSZSA-N -1 3 351.451 0.396 10 0 FCAEHM Cn1[n-]c(CN(CCCNC(=O)[C@@H]2CCO[C@H]2C2CC2)C2CC2)nc1=O ZINC001490379274 1209329232 /nfs/dbraw/zinc/32/92/32/1209329232.db2.gz YPWWEKSAHQSGSJ-ZBFHGGJFSA-N -1 3 363.462 0.394 10 0 FCAEHM O=C(CCN1CCCC1=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O ZINC001490614256 1209389062 /nfs/dbraw/zinc/38/90/62/1209389062.db2.gz CZEOBWCBYSDADK-XBFCOCLRSA-N -1 3 373.413 0.056 10 0 FCAEHM O=C(COCC(F)F)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O ZINC001490661382 1209407247 /nfs/dbraw/zinc/40/72/47/1209407247.db2.gz APWHYEZSWUNYAE-MIMYLULJSA-N -1 3 356.329 0.326 10 0 FCAEHM NC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC001490769964 1209424554 /nfs/dbraw/zinc/42/45/54/1209424554.db2.gz HRBYPCCPJNYZOJ-YVLXSGLVSA-N -1 3 368.393 0.265 10 0 FCAEHM CN(C)[C@H]1CCc2ccccc2N(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC000857931857 1209770337 /nfs/dbraw/zinc/77/03/37/1209770337.db2.gz ZQGPIHNAPVQSCP-AWEZNQCLSA-N -1 3 366.425 0.981 10 0 FCAEHM Cn1[n-]cc2c(=NC(=O)C(=O)NC[C@@H]3CCN3C3CCCC3)ccnc1-2 ZINC000862091807 1209896250 /nfs/dbraw/zinc/89/62/50/1209896250.db2.gz OTAKGPFOVVMZDI-ZDUSSCGKSA-N -1 3 356.430 0.413 10 0 FCAEHM Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)cn1 ZINC001118384312 1221771582 /nfs/dbraw/zinc/77/15/82/1221771582.db2.gz OCJFDQHBNCHGMO-SNPRPXQTSA-N -1 3 373.461 0.685 10 0 FCAEHM CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC001118911258 1221844004 /nfs/dbraw/zinc/84/40/04/1221844004.db2.gz CIDNBRAQNRTSFX-YPMHNXCESA-N -1 3 364.402 0.749 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC[C@@H](O)[C@H]1CCCO1 ZINC001118946744 1221848667 /nfs/dbraw/zinc/84/86/67/1221848667.db2.gz JIZPJTUXLKKVSS-HZPDHXFCSA-N -1 3 372.425 0.729 10 0 FCAEHM CCN1CCN(C[C@H](C)CNC(=O)N2C[C@H](OC)C[C@@]2(C)C(=O)[O-])CC1 ZINC001119638703 1221943772 /nfs/dbraw/zinc/94/37/72/1221943772.db2.gz SFUCQQGZVKUXKC-RKVPGOIHSA-N -1 3 370.494 0.534 10 0 FCAEHM O=c1[nH][n-]cc1-c1nnc(N2CCN(CC3CC3)CC2)n1C[C@@H]1CCOC1 ZINC001123065865 1222314093 /nfs/dbraw/zinc/31/40/93/1222314093.db2.gz QRTNBWLCIWUXGV-AWEZNQCLSA-N -1 3 373.461 0.942 10 0 FCAEHM Cc1nc(-c2nnc(N3CCN(c4cccnn4)CC3)n2C)cc(=O)[n-]1 ZINC001123225897 1222325325 /nfs/dbraw/zinc/32/53/25/1222325325.db2.gz OPHGRGACZIVOBR-UHFFFAOYSA-N -1 3 353.390 0.403 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)[C@H]3CCCN(C4CC4)C3=O)CC2)n1 ZINC001123961850 1222369898 /nfs/dbraw/zinc/36/98/98/1222369898.db2.gz ZNDSKJNUAOWCFY-OAHLLOKOSA-N -1 3 373.457 0.977 10 0 FCAEHM CN(C)c1nc(C(=O)N[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cc(=O)[n-]1 ZINC000833118371 1222549657 /nfs/dbraw/zinc/54/96/57/1222549657.db2.gz WDMCHBOKSVSJAM-IWIIMEHWSA-N -1 3 363.418 0.843 10 0 FCAEHM CCOC(=O)C[C@@H](O)C(=O)N1CCC(c2n[n-]c(C(=O)OCC)n2)CC1 ZINC001139570144 1222553519 /nfs/dbraw/zinc/55/35/19/1222553519.db2.gz NAMDUPUEOXFKEW-LLVKDONJSA-N -1 3 368.390 0.002 10 0 FCAEHM CCOC(=O)C[C@@H](O)C(=O)N1CCC(c2nnc(C(=O)OCC)[n-]2)CC1 ZINC001139570144 1222553523 /nfs/dbraw/zinc/55/35/23/1222553523.db2.gz NAMDUPUEOXFKEW-LLVKDONJSA-N -1 3 368.390 0.002 10 0 FCAEHM CCOC(=O)CCCNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001141353595 1222656293 /nfs/dbraw/zinc/65/62/93/1222656293.db2.gz KMNDCFRZNDGHPE-UHFFFAOYSA-N -1 3 363.345 0.947 10 0 FCAEHM CCOC(=O)CCCNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001141353595 1222656296 /nfs/dbraw/zinc/65/62/96/1222656296.db2.gz KMNDCFRZNDGHPE-UHFFFAOYSA-N -1 3 363.345 0.947 10 0 FCAEHM CCc1cc2c(CN3CCN(CC(N)=O)C(=O)C3)cc(=O)oc2cc1[O-] ZINC000839179357 1222700149 /nfs/dbraw/zinc/70/01/49/1222700149.db2.gz KLNLJAQESIRBSC-UHFFFAOYSA-N -1 3 359.382 0.191 10 0 FCAEHM COCCN1CCC[C@@H]1CNC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000842612465 1222849902 /nfs/dbraw/zinc/84/99/02/1222849902.db2.gz XPZMPGICJRQCGK-NVXWUHKLSA-N -1 3 374.441 0.933 10 0 FCAEHM NC(=O)[C@@H]1CC(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)=NN1c1ccccc1 ZINC001164348285 1223237783 /nfs/dbraw/zinc/23/77/83/1223237783.db2.gz JPGCBXROFKFHNF-LBPRGKRZSA-N -1 3 372.410 0.207 10 0 FCAEHM CN1CCN(c2cc(C(=O)N3CC[C@H](c4cc(=O)[nH][n-]4)C3)ccn2)CC1 ZINC000823795759 1245321571 /nfs/dbraw/zinc/32/15/71/1245321571.db2.gz PHFXYWWHKWEHMS-AWEZNQCLSA-N -1 3 356.430 0.892 10 0 FCAEHM COC(=O)CCN1CCC[C@H](OC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C1=O ZINC000849725583 1245413047 /nfs/dbraw/zinc/41/30/47/1245413047.db2.gz BLLLESQNBRRVJK-ZDUSSCGKSA-N -1 3 374.349 0.281 10 0 FCAEHM O=C([O-])[C@@H]1CCCN(CC(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)C1 ZINC000911505046 1245501532 /nfs/dbraw/zinc/50/15/32/1245501532.db2.gz PFVCHDDNDXUIST-CQSZACIVSA-N -1 3 361.446 0.732 10 0 FCAEHM CCC[C@H](C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001515179294 1265455764 /nfs/dbraw/zinc/45/57/64/1265455764.db2.gz MACUPYRRBLMEEX-CORIIIEPSA-N -1 3 359.434 0.699 10 0 FCAEHM O=C(C[C@@H]1C[C@H]1C1CC1)NCc1nc(CNC(=O)c2ncc[nH]2)cc(=O)[n-]1 ZINC001519541287 1265728935 /nfs/dbraw/zinc/72/89/35/1265728935.db2.gz LAWKYYLMMGQMIQ-AAEUAGOBSA-N -1 3 370.413 0.888 10 0 FCAEHM COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1cc(=O)n2nc(N)[n-]c2n1 ZINC001329492526 1265767583 /nfs/dbraw/zinc/76/75/83/1265767583.db2.gz WNNPKHKTRLTZCL-CQSZACIVSA-N -1 3 372.385 0.355 10 0 FCAEHM COC[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC001329563224 1265782116 /nfs/dbraw/zinc/78/21/16/1265782116.db2.gz PZDKIXPXQOVTHN-KSSFIOAISA-N -1 3 367.446 0.023 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)COc2cccnc2)CCN1C(=O)c1cnc[n-]c1=O ZINC001519936247 1265807625 /nfs/dbraw/zinc/80/76/25/1265807625.db2.gz XEUARRVHJMVKGE-LSDHHAIUSA-N -1 3 371.397 0.766 10 0 FCAEHM COC(=O)[C@H](CCF)NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC001329746279 1265827781 /nfs/dbraw/zinc/82/77/81/1265827781.db2.gz QVJVXKJFIQWUOX-ZDUSSCGKSA-N -1 3 362.361 0.700 10 0 FCAEHM O=C(NCC1(n2cccn2)CC1)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001520798665 1266005373 /nfs/dbraw/zinc/00/53/73/1266005373.db2.gz YSBGHHHCQUXIDH-UHFFFAOYSA-N -1 3 369.356 0.990 10 0 FCAEHM O=C(NCC1(n2cccn2)CC1)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001520798665 1266005380 /nfs/dbraw/zinc/00/53/80/1266005380.db2.gz YSBGHHHCQUXIDH-UHFFFAOYSA-N -1 3 369.356 0.990 10 0 FCAEHM CNC(=O)c1cccc(NC(=O)[C@@H](C)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1 ZINC001330581302 1266064006 /nfs/dbraw/zinc/06/40/06/1266064006.db2.gz HUXOOMNDLHXVSQ-AEDCBLDQSA-N -1 3 361.398 0.406 10 0 FCAEHM Nc1nn2c([n-]1)nc(CN1C[C@@H](c3ccccc3)[C@@](F)(CO)C1)cc2=O ZINC001331329170 1266194588 /nfs/dbraw/zinc/19/45/88/1266194588.db2.gz ZLXHRXMPAASVIV-GUYCJALGSA-N -1 3 358.377 0.300 10 0 FCAEHM COCC(C)(C)C(=O)N1C[C@@H](CNC(=O)c2c(C)nc[n-]c2=O)[C@H](C)C1 ZINC001521943210 1266245948 /nfs/dbraw/zinc/24/59/48/1266245948.db2.gz SSRHXVYTFCLCFG-DGCLKSJQSA-N -1 3 364.446 0.988 10 0 FCAEHM CCC1(N2CCOCC2)CCN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])CC1 ZINC001331763320 1266282208 /nfs/dbraw/zinc/28/22/08/1266282208.db2.gz XFIWGQVNTNFHEP-CQSZACIVSA-N -1 3 369.462 0.269 10 0 FCAEHM O=C(NC1CC1)[C@H]1CCCN1C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001251450740 1259748196 /nfs/dbraw/zinc/74/81/96/1259748196.db2.gz FUPAJEVXQNCTQZ-QWHCGFSZSA-N -1 3 360.418 0.214 10 0 FCAEHM COC(=O)c1coc(CNC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)c1 ZINC001251450736 1259748746 /nfs/dbraw/zinc/74/87/46/1259748746.db2.gz FQFPIFWBEOENBL-LLVKDONJSA-N -1 3 361.358 0.640 10 0 FCAEHM O=C(NC1CC1)[C@H]1CCCN1C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001251450738 1259748937 /nfs/dbraw/zinc/74/89/37/1259748937.db2.gz FUPAJEVXQNCTQZ-CHWSQXEVSA-N -1 3 360.418 0.214 10 0 FCAEHM O=C(N[C@@H]1C[C@H]2C[C@H]2C1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001332066772 1266328722 /nfs/dbraw/zinc/32/87/22/1266328722.db2.gz LUUNEOPPWZRILC-QDMKHBRRSA-N -1 3 357.410 0.591 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H](C)NC(=O)c1c(C)nc[n-]c1=O ZINC001337362976 1260381146 /nfs/dbraw/zinc/38/11/46/1260381146.db2.gz CSWYULFMXUSEKZ-UHTWSYAYSA-N -1 3 350.419 0.882 10 0 FCAEHM C[C@H](CN(C)C(=O)[C@H]1C[C@H]1C(N)=O)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC001337472347 1260408973 /nfs/dbraw/zinc/40/89/73/1260408973.db2.gz JWOQDLBHIKGMOF-RTXFEEFZSA-N -1 3 370.409 0.226 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H](CO)CNC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001281121505 1261095405 /nfs/dbraw/zinc/09/54/05/1261095405.db2.gz YBKYPSIYKHQNQV-IJLUTSLNSA-N -1 3 360.370 0.094 10 0 FCAEHM CCOCCCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001281680417 1261145585 /nfs/dbraw/zinc/14/55/85/1261145585.db2.gz ALYJHAYOBRDZSE-ZIAGYGMSSA-N -1 3 366.418 0.081 10 0 FCAEHM CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC001281761914 1261185778 /nfs/dbraw/zinc/18/57/78/1261185778.db2.gz GYSYNLVLFCIZIS-QMTHXVAHSA-N -1 3 358.402 0.013 10 0 FCAEHM CC[C@@H](CC(C)C)C(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@@H]1O ZINC001281934954 1261295749 /nfs/dbraw/zinc/29/57/49/1261295749.db2.gz OOUBOCUCCKJPRB-MJBXVCDLSA-N -1 3 364.446 0.864 10 0 FCAEHM C[C@@H](CC(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@@H]1O)c1ccccc1 ZINC001281936363 1261297131 /nfs/dbraw/zinc/29/71/31/1261297131.db2.gz CGRADCIQZCBVHT-MAZHCROVSA-N -1 3 370.409 0.678 10 0 FCAEHM CCC(=O)N[C@H](C)C(=O)N1C[C@H]2CCN(C(=O)c3ccccc3[O-])C[C@H]21 ZINC001281965792 1261312276 /nfs/dbraw/zinc/31/22/76/1261312276.db2.gz GRYLEPRDKONYDS-UMVBOHGHSA-N -1 3 359.426 0.980 10 0 FCAEHM CCO[C@H](C(=O)N1CC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)[C@@H]2C1)C(C)C ZINC001281969248 1261313727 /nfs/dbraw/zinc/31/37/27/1261313727.db2.gz CLOUNYXBFMFOSW-YUELXQCFSA-N -1 3 362.430 0.916 10 0 FCAEHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001282147700 1261357068 /nfs/dbraw/zinc/35/70/68/1261357068.db2.gz VMZNPBRWLQRGSM-KGYLQXTDSA-N -1 3 363.418 0.030 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)[C@@H]1CC(c2ccccn2)=NO1 ZINC001472254448 1261455297 /nfs/dbraw/zinc/45/52/97/1261455297.db2.gz SGZYXMBPNIGEPK-RISCZKNCSA-N -1 3 354.370 0.465 10 0 FCAEHM O=C(CNC(=O)OCc1ccccc1)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001472253484 1261455767 /nfs/dbraw/zinc/45/57/67/1261455767.db2.gz MWOJYMCXNPKUMC-CQSZACIVSA-N -1 3 371.397 0.804 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)[C@H]2CCN2C(=O)OC(C)(C)C)[n-]1 ZINC001472544651 1261474254 /nfs/dbraw/zinc/47/42/54/1261474254.db2.gz DKJKYPJLQSJZPF-SECBINFHSA-N -1 3 353.379 0.607 10 0 FCAEHM COC(=O)C[C@@H]1CCC[C@H]1NC(=O)C[N-]S(=O)(=O)c1c(C)noc1C ZINC001472633479 1261482057 /nfs/dbraw/zinc/48/20/57/1261482057.db2.gz AOFSYVYTUHHYDU-NWDGAFQWSA-N -1 3 373.431 0.418 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(c3cc(C)nc(S(C)(=O)=O)n3)CC2)n1 ZINC001472879302 1261485890 /nfs/dbraw/zinc/48/58/90/1261485890.db2.gz QESYQFGCIRQWNF-UHFFFAOYSA-N -1 3 364.431 0.319 10 0 FCAEHM C[C@](O)(CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O)C1CC1 ZINC001282716693 1261594553 /nfs/dbraw/zinc/59/45/53/1261594553.db2.gz ATTPRQHWJQWYGS-IUWMUCMRSA-N -1 3 360.414 0.595 10 0 FCAEHM C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O)n1ccnc1 ZINC001282729145 1261600593 /nfs/dbraw/zinc/60/05/93/1261600593.db2.gz WDCRCFMBCAKTAC-MXYBEHONSA-N -1 3 370.413 0.892 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N1C[C@@H](NC(=O)[C@H](C)C(C)C)[C@@H](O)C1 ZINC001289745579 1262332021 /nfs/dbraw/zinc/33/20/21/1262332021.db2.gz RQCLZDCAZOZRRS-DFBGVHRSSA-N -1 3 364.446 0.403 10 0 FCAEHM CC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2cnc[n-]c2=O)C1 ZINC001290161784 1262393186 /nfs/dbraw/zinc/39/31/86/1262393186.db2.gz POEOYWHUEYSHBP-OUCADQQQSA-N -1 3 363.418 0.112 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)CCCC(=O)NC(C)C ZINC001290444631 1262445969 /nfs/dbraw/zinc/44/59/69/1262445969.db2.gz QGGBEFSWIHTQDY-GXTWGEPZSA-N -1 3 364.450 0.609 10 0 FCAEHM Cc1ncc(CC(=O)NC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@H]2C)o1 ZINC001290941529 1262540485 /nfs/dbraw/zinc/54/04/85/1262540485.db2.gz QZKQJENMTKAUGU-ZYHUDNBSSA-N -1 3 359.386 0.546 10 0 FCAEHM Cc1cc(COCC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cn[n-]n2)C3)no1 ZINC001292152477 1262656174 /nfs/dbraw/zinc/65/61/74/1262656174.db2.gz KQEDSSSUKRCPMF-BZPMIXESSA-N -1 3 360.374 0.180 10 0 FCAEHM O=C(NCCNC(=O)c1cccc(-n2cncn2)n1)c1ccc([O-])cc1 ZINC001294908547 1262750532 /nfs/dbraw/zinc/75/05/32/1262750532.db2.gz GLSVKMBOOTUYHV-UHFFFAOYSA-N -1 3 352.354 0.528 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])N1CC([C@@H]2CCOC2)C1 ZINC001297272728 1262858437 /nfs/dbraw/zinc/85/84/37/1262858437.db2.gz QRXQEDOKDNIXMU-LLVKDONJSA-N -1 3 359.357 0.982 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c([O-])cc1=O)N1CC([C@@H]2CCOC2)C1 ZINC001297272728 1262858441 /nfs/dbraw/zinc/85/84/41/1262858441.db2.gz QRXQEDOKDNIXMU-LLVKDONJSA-N -1 3 359.357 0.982 10 0 FCAEHM COc1ccc([C@@]2(C)NC(=O)N(NC(=O)c3cc(=O)[n-]cn3)C2=O)cc1 ZINC001297511036 1262875591 /nfs/dbraw/zinc/87/55/91/1262875591.db2.gz RULASSWHDJLLFY-MRXNPFEDSA-N -1 3 357.326 0.303 10 0 FCAEHM C[C@@H](CNC(=O)c1cc(=O)c2ccccc2[n-]1)NC(=O)[C@]12C[C@H]1COC2 ZINC001298795562 1262942130 /nfs/dbraw/zinc/94/21/30/1262942130.db2.gz MOOLOVYWOOKBKZ-ZKTNFTSUSA-N -1 3 355.394 0.799 10 0 FCAEHM C[C@@H](C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1)N1C(=O)NC2(CCCC2)C1=O ZINC001300193357 1262985286 /nfs/dbraw/zinc/98/52/86/1262985286.db2.gz JSUVGPPJCBLJGZ-QWRGUYRKSA-N -1 3 361.402 0.684 10 0 FCAEHM O=C(NC1CCN([C@H]2CCOC2)CC1)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001301131219 1263000838 /nfs/dbraw/zinc/00/08/38/1263000838.db2.gz JJOFCUROYJPZHC-HNNXBMFYSA-N -1 3 373.413 0.249 10 0 FCAEHM CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)NCCCc1c[n-][nH]c1=O ZINC001301570931 1263011668 /nfs/dbraw/zinc/01/16/68/1263011668.db2.gz KFJIQAQHGHEBHN-STQMWFEESA-N -1 3 368.434 0.641 10 0 FCAEHM COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC001302574002 1263050493 /nfs/dbraw/zinc/05/04/93/1263050493.db2.gz JRKDYTFMFVROEF-MLGOLLRUSA-N -1 3 364.398 0.515 10 0 FCAEHM Cn1cc(Cl)c(CNC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)n1 ZINC001478666365 1263139758 /nfs/dbraw/zinc/13/97/58/1263139758.db2.gz OXVZMJYHOZTZLS-SECBINFHSA-N -1 3 351.798 0.647 10 0 FCAEHM Cn1ncc(C2CC2)c1CNC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001478994324 1263159358 /nfs/dbraw/zinc/15/93/58/1263159358.db2.gz KODFPNCFWNKVIK-LBPRGKRZSA-N -1 3 357.418 0.871 10 0 FCAEHM Cc1nn(C)c(C)c1CC(=O)NC[C@H]1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001479468931 1263210917 /nfs/dbraw/zinc/21/09/17/1263210917.db2.gz ZAXGFBGGPOURSE-QWHCGFSZSA-N -1 3 361.450 0.478 10 0 FCAEHM C[C@@H]1CN(CCNC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)[C@H](C)CO1 ZINC001479506194 1263233407 /nfs/dbraw/zinc/23/34/07/1263233407.db2.gz BOXFHHUDKUXPGY-MCIONIFRSA-N -1 3 364.450 0.169 10 0 FCAEHM CCOC(=O)[C@@H](F)C1CN(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)C1 ZINC001479508981 1263235046 /nfs/dbraw/zinc/23/50/46/1263235046.db2.gz RPBGMWRRUVBISV-RISCZKNCSA-N -1 3 367.381 0.304 10 0 FCAEHM CCNC(=O)NC(=O)CN1CC[C@H](NC(=O)c2ccccc2[O-])[C@H]1CC ZINC001479628904 1263275692 /nfs/dbraw/zinc/27/56/92/1263275692.db2.gz MVHWBDUCVGNOSP-UONOGXRCSA-N -1 3 362.430 0.821 10 0 FCAEHM Cc1nocc1CN1CC[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)[C@H]1C ZINC001479722419 1263393478 /nfs/dbraw/zinc/39/34/78/1263393478.db2.gz SULKATZFHFQMKS-OCCSQVGLSA-N -1 3 361.402 0.002 10 0 FCAEHM CCCNC(=O)CN1CC[C@H](NC(=O)Cc2c(C)nc(C)[n-]c2=O)[C@H]1C ZINC001316800316 1263489926 /nfs/dbraw/zinc/48/99/26/1263489926.db2.gz AKAJPGKXOKQVSU-DOMZBBRYSA-N -1 3 363.462 0.447 10 0 FCAEHM C[C@H](CN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NCc1cc(=O)n2[n-]ccc2n1 ZINC001485903133 1263518915 /nfs/dbraw/zinc/51/89/15/1263518915.db2.gz JRWPINZLYSZJGV-BVWOBERRSA-N -1 3 371.441 0.383 10 0 FCAEHM O=C(N[C@@H](CNC(=O)[C@@H]1CCO[C@H]1c1ccncc1)C1CC1)c1cn[n-]n1 ZINC001493574785 1263728300 /nfs/dbraw/zinc/72/83/00/1263728300.db2.gz ZCOXTNQRBRDHPA-YCPHGPKFSA-N -1 3 370.413 0.602 10 0 FCAEHM CCN(CCNC(=O)c1cccc2n[n-]nc21)C(=O)[C@H]1OCCO[C@H]1C ZINC001496759758 1263892985 /nfs/dbraw/zinc/89/29/85/1263892985.db2.gz CIVPXFFUBSMGNV-NHYWBVRUSA-N -1 3 361.402 0.340 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC001321424277 1263960607 /nfs/dbraw/zinc/96/06/07/1263960607.db2.gz URMVBSHCLNTWPU-GASCZTMLSA-N -1 3 370.409 0.699 10 0 FCAEHM O=C(NCC1(NC(=O)[C@]23C[C@H]2COC3)CC1)c1cc(=O)[n-]c(C2CC2)n1 ZINC001506109502 1264294192 /nfs/dbraw/zinc/29/41/92/1264294192.db2.gz GGEMMLPQEGSZOK-VOJFVSQTSA-N -1 3 358.398 0.475 10 0 FCAEHM CCC[C@@H]1C[C@H]1C(=O)N1CC(CCO)(NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001509189830 1264445013 /nfs/dbraw/zinc/44/50/13/1264445013.db2.gz BVMDYLWJSNFKIS-CHWSQXEVSA-N -1 3 362.430 0.620 10 0 FCAEHM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1C1CCOCC1)NC(=O)c1cnc[n-]c1=O ZINC001510687565 1264509526 /nfs/dbraw/zinc/50/95/26/1264509526.db2.gz ZXHDAZLRRMPZLB-KWCYVHTRSA-N -1 3 362.430 0.822 10 0 FCAEHM O=C(NC[C@@H](CO)NC(=O)[C@@H]1C[C@H]1c1ccsc1)c1cnc[n-]c1=O ZINC001510987967 1264528046 /nfs/dbraw/zinc/52/80/46/1264528046.db2.gz UNHMRGPPLISUFZ-SDDRHHMPSA-N -1 3 362.411 0.254 10 0 FCAEHM CO[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1O)C1CCCC1 ZINC001513023016 1264856799 /nfs/dbraw/zinc/85/67/99/1264856799.db2.gz KLBYTNPYMDRUJD-DJIMGWMZSA-N -1 3 362.426 0.899 10 0 FCAEHM CC[C@H](C)CCC(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1O ZINC001513041369 1264882860 /nfs/dbraw/zinc/88/28/60/1264882860.db2.gz NOVQUTQFSJDRDT-CYZMBNFOSA-N -1 3 350.419 0.618 10 0 FCAEHM O=C(C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)N1CC[C@]12CCOC2 ZINC001325468495 1264897350 /nfs/dbraw/zinc/89/73/50/1264897350.db2.gz DBKPNJMMVUSXIE-LJQANCHMSA-N -1 3 373.409 0.068 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCc2ccccc2)C1 ZINC001513055240 1264900779 /nfs/dbraw/zinc/90/07/79/1264900779.db2.gz GERNHQIFFKXPJP-HUUCEWRRSA-N -1 3 370.409 0.425 10 0 FCAEHM CS[C@H](C)CC(=O)N1CC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)[C@@H]2C1 ZINC001513950967 1265302191 /nfs/dbraw/zinc/30/21/91/1265302191.db2.gz WLBXLTYMOMWYKS-NQBHXWOUSA-N -1 3 350.444 0.997 10 0 FCAEHM O=C(Cn1ccc(C(F)F)n1)NC[C@H]1CC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC001515064304 1265412906 /nfs/dbraw/zinc/41/29/06/1265412906.db2.gz OPVWJTXNASMYKF-VHSXEESVSA-N -1 3 367.360 0.654 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCCO1 ZINC001522300380 1266478741 /nfs/dbraw/zinc/47/87/41/1266478741.db2.gz CDBKIXIMFZNCSY-DMRZNYOFSA-N -1 3 374.441 0.850 10 0 FCAEHM O=C(CCc1cncnc1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O ZINC001522303125 1266480387 /nfs/dbraw/zinc/48/03/87/1266480387.db2.gz ATZJMRVBQITJDU-YUELXQCFSA-N -1 3 368.397 0.467 10 0 FCAEHM CCN(CCNC(=O)[C@@H]1CCO[C@H]1C1CC1)C(=O)c1c(C)nc[n-]c1=O ZINC001529002543 1267019687 /nfs/dbraw/zinc/01/96/87/1267019687.db2.gz JDSYAPOMSOTRRK-HIFRSBDPSA-N -1 3 362.430 0.884 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)N1CC(CCO)(NC(=O)c2ccccc2[O-])C1 ZINC001334579289 1267088365 /nfs/dbraw/zinc/08/83/65/1267088365.db2.gz KFYMDGJLZVTGRU-ZBFHGGJFSA-N -1 3 362.426 0.901 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)c1c(Br)nc2n1CCOC2 ZINC001334705779 1267145249 /nfs/dbraw/zinc/14/52/49/1267145249.db2.gz IHWXHRMSTVVCFC-QMMMGPOBSA-N -1 3 370.207 0.418 10 0 FCAEHM C[C@H](CNC(=O)c1cccc2n[n-]nc21)CNC(=O)[C@H]1OCCO[C@H]1C ZINC001532245071 1267162505 /nfs/dbraw/zinc/16/25/05/1267162505.db2.gz FJLHTIQZPRPDRJ-ZETOZRRWSA-N -1 3 361.402 0.244 10 0 FCAEHM Cc1nc(C)c(CCC(=O)Nc2ccc(S(C)(=O)=O)nn2)c(=O)[n-]1 ZINC001536182193 1267319950 /nfs/dbraw/zinc/31/99/50/1267319950.db2.gz VWBWUXOWYFRYII-UHFFFAOYSA-N -1 3 351.388 0.564 10 0 FCAEHM Cn1ccn2c(C[N-]C(=O)C(F)(F)c3ccc(F)cc3)nnc2c1=O ZINC001536822791 1267340574 /nfs/dbraw/zinc/34/05/74/1267340574.db2.gz LNAOEACJBHOJER-UHFFFAOYSA-N -1 3 351.288 0.975 10 0 FCAEHM COc1cc(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)ncn1 ZINC001538088867 1267391679 /nfs/dbraw/zinc/39/16/79/1267391679.db2.gz IUHABNFHYWPLCM-UHFFFAOYSA-N -1 3 372.353 0.472 10 0 FCAEHM C[C@H]1CC(=O)NN1C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC001542585470 1267500322 /nfs/dbraw/zinc/50/03/22/1267500322.db2.gz GNCIWYBLLNFRKI-ZETCQYMHSA-N -1 3 366.226 0.924 10 0 FCAEHM CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2cnncc2[O-])CC1 ZINC001543712054 1267557782 /nfs/dbraw/zinc/55/77/82/1267557782.db2.gz LFKPVBBFDGUILV-UHFFFAOYSA-N -1 3 351.407 0.465 10 0 FCAEHM CS(=O)(=O)CCOCCNC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001543885063 1267563665 /nfs/dbraw/zinc/56/36/65/1267563665.db2.gz KUMCTONXRZQSOR-UHFFFAOYSA-N -1 3 374.365 0.597 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)c2ccnc3[nH]c(CC4CC4)nc32)n[n-]1 ZINC001544414110 1267579080 /nfs/dbraw/zinc/57/90/80/1267579080.db2.gz OZCNGZZBGNFGDC-UHFFFAOYSA-N -1 3 355.358 0.996 10 0 FCAEHM CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)[C@H]1CCCn2ncnc21 ZINC001545428648 1267613552 /nfs/dbraw/zinc/61/35/52/1267613552.db2.gz VMYFAESNUIWGFG-JTQLQIEISA-N -1 3 367.406 0.983 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CCCN2S(C)(=O)=O)c1 ZINC001545893425 1267628927 /nfs/dbraw/zinc/62/89/27/1267628927.db2.gz ZUURHKKPTFVMRZ-GFCCVEGCSA-N -1 3 367.427 0.671 10 0 FCAEHM COC(=O)c1ncoc1COCC(=O)NC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC001557313638 1268942385 /nfs/dbraw/zinc/94/23/85/1268942385.db2.gz LQHAVMBSPDEOPC-UHFFFAOYSA-N -1 3 364.358 0.833 10 0 FCAEHM CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001557322093 1268943343 /nfs/dbraw/zinc/94/33/43/1268943343.db2.gz VSCMZXFTIABFGI-SECBINFHSA-N -1 3 358.420 0.363 10 0 FCAEHM Cc1cnc(S(C)(=O)=O)nc1C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001557320881 1268944023 /nfs/dbraw/zinc/94/40/23/1268944023.db2.gz UTIPMEAIRCSFLH-SECBINFHSA-N -1 3 351.388 0.247 10 0 FCAEHM Cc1sc2ncn(CC(=O)NCCCc3c[n-][nH]c3=O)c(=O)c2c1C ZINC001557701072 1268967902 /nfs/dbraw/zinc/96/79/02/1268967902.db2.gz GICSVDMUARXWEU-NSHDSACASA-N -1 3 361.427 0.703 10 0 FCAEHM CCc1ccc(S(C)(=O)=O)cc1C(=O)NCCCc1c[n-][nH]c1=O ZINC001557701253 1268968867 /nfs/dbraw/zinc/96/88/67/1268968867.db2.gz HQZGAHYPIWCVOC-GFCCVEGCSA-N -1 3 351.428 0.894 10 0 FCAEHM CCSCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC001341449324 1269006853 /nfs/dbraw/zinc/00/68/53/1269006853.db2.gz VQXHCJODYPNOGK-CHWSQXEVSA-N -1 3 363.443 0.403 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)c3ccccc3OCC(N)=O)CC2)n1 ZINC001558395635 1269083209 /nfs/dbraw/zinc/08/32/09/1269083209.db2.gz BBJFQZKOABTSJP-UHFFFAOYSA-N -1 3 371.397 0.317 10 0 FCAEHM CO[C@H](C(=O)OC(C)(C)C)C(=O)N1CCN(c2nc(C)cc(=O)[n-]2)CC1 ZINC001558398992 1269084475 /nfs/dbraw/zinc/08/44/75/1269084475.db2.gz KAKRCMHMCJABAG-ZDUSSCGKSA-N -1 3 366.418 0.496 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)c3cncc4ncn(C)c43)CC2)n1 ZINC001558398966 1269084740 /nfs/dbraw/zinc/08/47/40/1269084740.db2.gz JPWODZVZUPACGU-UHFFFAOYSA-N -1 3 353.386 0.735 10 0 FCAEHM CCC(CC)[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1O ZINC001341568264 1269085947 /nfs/dbraw/zinc/08/59/47/1269085947.db2.gz VFCZBTFPSLJUTB-LERXQTSPSA-N -1 3 364.446 0.864 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)N[C@@H]2CC[C@@H](O)[C@@H](O)CC2)c([O-])c1 ZINC001558436127 1269090664 /nfs/dbraw/zinc/09/06/64/1269090664.db2.gz QEBAKNOPQLKTIN-XMQYKBBCSA-N -1 3 350.415 0.601 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ncc(Br)cn1 ZINC001558698547 1269132517 /nfs/dbraw/zinc/13/25/17/1269132517.db2.gz CZPZYEFFJYQBNV-SECBINFHSA-N -1 3 365.191 0.743 10 0 FCAEHM O=C(N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)C1=NN(CCO)C(=O)CC1 ZINC001558728457 1269134858 /nfs/dbraw/zinc/13/48/58/1269134858.db2.gz BPFPXHPCRTUWCW-HAQNSBGRSA-N -1 3 361.402 0.295 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NCCC[C@H]1CCOC1=O ZINC001559029464 1269161912 /nfs/dbraw/zinc/16/19/12/1269161912.db2.gz FWBPUVNSDIQGEF-NSHDSACASA-N -1 3 359.404 0.029 10 0 FCAEHM C[C@@H]1CN(C(=O)COCc2cccnc2)C[C@H]1NC(=O)c1cnc[n-]c1=O ZINC001342347136 1269437071 /nfs/dbraw/zinc/43/70/71/1269437071.db2.gz SULBIZBHCOVQQZ-IUODEOHRSA-N -1 3 371.397 0.371 10 0 FCAEHM CCCSCC(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@H](OC)C1 ZINC001342940717 1269692738 /nfs/dbraw/zinc/69/27/38/1269692738.db2.gz WQUFSZQNJVUTBG-VXGBXAGGSA-N -1 3 354.432 0.281 10 0 FCAEHM CCCC(C)(C)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1OC ZINC001343074794 1269757739 /nfs/dbraw/zinc/75/77/39/1269757739.db2.gz FLOOINFQHCZVPY-CHWSQXEVSA-N -1 3 350.419 0.964 10 0 FCAEHM C[C@@H](CN(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)NCc1cc(=O)n2[n-]ccc2n1 ZINC001571397083 1269931650 /nfs/dbraw/zinc/93/16/50/1269931650.db2.gz QQOCBIJXZWSJAO-BWQRHGBYSA-N -1 3 373.457 0.774 10 0 FCAEHM C[C@@H](CCc1ccccc1)CC(=O)N1C[C@@H](NC(=O)c2cn[n-]n2)[C@@H](O)C1 ZINC001343529922 1269937630 /nfs/dbraw/zinc/93/76/30/1269937630.db2.gz RFGYIXQPJTXFBD-XKQJLSEDSA-N -1 3 371.441 0.765 10 0 FCAEHM CCN(C(=O)[C@H]1OCCO[C@H]1C)[C@H](C)CNC(=O)c1c(C)nc[n-]c1=O ZINC001572678745 1270106922 /nfs/dbraw/zinc/10/69/22/1270106922.db2.gz IVXLBBBEIGSBRQ-OSMZGAPFSA-N -1 3 366.418 0.261 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CC[C@H](CNC(=O)Cc2ncc[nH]2)C1 ZINC001344311278 1270144206 /nfs/dbraw/zinc/14/42/06/1270144206.db2.gz PYPYKPPPGFWQCY-NWDGAFQWSA-N -1 3 358.402 0.471 10 0 FCAEHM CCO[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CNC(=O)COC(C)C ZINC001344406593 1270171963 /nfs/dbraw/zinc/17/19/63/1270171963.db2.gz JMEHJOYHECYOPC-TZMCWYRMSA-N -1 3 366.418 0.201 10 0 FCAEHM COCC(=O)N[C@@H]1CC[C@H](CNC(=O)Cc2c(C)nc(C)[n-]c2=O)C1 ZINC001573175010 1270631898 /nfs/dbraw/zinc/63/18/98/1270631898.db2.gz YGBSOFYAQJCRQZ-QWHCGFSZSA-N -1 3 350.419 0.389 10 0 FCAEHM O=C(COC[C@H]1CCCO1)NC[C@H]1CC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC001573182197 1270641658 /nfs/dbraw/zinc/64/16/58/1270641658.db2.gz CTETYHANQKFJGO-YNEHKIRRSA-N -1 3 351.407 0.015 10 0 FCAEHM COCC(=O)NCc1nc(CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)cc(=O)[n-]1 ZINC001573247641 1270709432 /nfs/dbraw/zinc/70/94/32/1270709432.db2.gz LKTUXNHDXYBMLC-MBNYWOFBSA-N -1 3 360.414 0.663 10 0 FCAEHM CCC[C@H](OC)C(=O)N1C[C@H]2CCN(C(=O)c3cnc[n-]c3=O)C[C@H]2C1 ZINC001573380817 1270768132 /nfs/dbraw/zinc/76/81/32/1270768132.db2.gz YXJVWZWZTXYUTE-IPYPFGDCSA-N -1 3 362.430 0.918 10 0 FCAEHM CCO[C@@H](C)C(=O)N1C[C@@H]2CN(C(=O)c3c(C)nc[n-]c3=O)C[C@]2(C)C1 ZINC001573754211 1270870865 /nfs/dbraw/zinc/87/08/65/1270870865.db2.gz IKUBDEUQMGUBIT-JCGVRSQUSA-N -1 3 362.430 0.836 10 0 FCAEHM CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2[nH]nc(C)c2[O-])C1)N(C)C ZINC001573967902 1270964040 /nfs/dbraw/zinc/96/40/40/1270964040.db2.gz FIGJFLSDDYSEIV-BNOWGMLFSA-N -1 3 365.478 0.978 10 0 FCAEHM CC[C@@H](C(=O)NCC[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1C)N(C)C ZINC001574018944 1270997793 /nfs/dbraw/zinc/99/77/93/1270997793.db2.gz TXYWPOCSHNHECP-BNOWGMLFSA-N -1 3 365.478 0.978 10 0 FCAEHM CC(C)C[C@]1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cn[n-]n2)C3)CCNC1=O ZINC001574514563 1271299066 /nfs/dbraw/zinc/29/90/66/1271299066.db2.gz KWGYODHGDABASQ-LSIMKLPESA-N -1 3 374.445 0.219 10 0 FCAEHM O=C(CCn1cnnn1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccccc1[O-] ZINC001574568573 1271369163 /nfs/dbraw/zinc/36/91/63/1271369163.db2.gz MEQIRLUMMDVZHL-BNOWGMLFSA-N -1 3 356.386 0.331 10 0 FCAEHM O=C(NCC[C@@H]1CCN(Cc2cc(=O)n3[n-]ccc3n2)C1)[C@]12C[C@H]1COC2 ZINC001713727791 1287293002 /nfs/dbraw/zinc/29/30/02/1287293002.db2.gz GWOGCVJDGAJIDY-TYILLQQXSA-N -1 3 371.441 0.387 10 0 FCAEHM Cn1[n-]c(CN2CC[C@H](CCNC(=O)[C@]34CCC[C@H]3OCC4)C2)nc1=O ZINC001713732766 1287294528 /nfs/dbraw/zinc/29/45/28/1287294528.db2.gz NTWAWMDLDPQAKP-IYOUNJFTSA-N -1 3 363.462 0.396 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N(C)CCOCCNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001718472194 1287506694 /nfs/dbraw/zinc/50/66/94/1287506694.db2.gz NSOXXEFLJSXEKF-UONOGXRCSA-N -1 3 362.430 0.742 10 0 FCAEHM CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@H](CNC(=O)c1cccc2n[n-]nc21)C1CC1 ZINC001718518508 1287513948 /nfs/dbraw/zinc/51/39/48/1287513948.db2.gz BOBKZDMTZOQDBZ-MBNYWOFBSA-N -1 3 370.413 0.046 10 0 FCAEHM Cc1nc(C)c(CC(=O)NC[C@@H](C)CNC(=O)[C@]23C[C@H]2COC3)c(=O)[n-]1 ZINC001582837521 1282038168 /nfs/dbraw/zinc/03/81/68/1282038168.db2.gz MMUHVLLLLWVZGV-LNSDYSHSSA-N -1 3 362.430 0.247 10 0 FCAEHM CN(CC(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1)S(=O)(=O)c1ccccc1 ZINC001631825238 1282115709 /nfs/dbraw/zinc/11/57/09/1282115709.db2.gz DYCJBJRLPPFHMD-GFCCVEGCSA-N -1 3 364.427 0.752 10 0 FCAEHM O=C(CNS(=O)(=O)c1ccc(F)cc1)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001631839687 1282122249 /nfs/dbraw/zinc/12/22/49/1282122249.db2.gz XKXDOBDMMKICSS-UHFFFAOYSA-N -1 3 372.403 0.205 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)Cc1ccccc1S(=O)(=O)C(F)F ZINC001585158941 1282207295 /nfs/dbraw/zinc/20/72/95/1282207295.db2.gz XNMHVFPPUXXZJG-LLVKDONJSA-N -1 3 373.381 0.854 10 0 FCAEHM COC(=O)C1(CNC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])CC1 ZINC001633263285 1282238031 /nfs/dbraw/zinc/23/80/31/1282238031.db2.gz BPMQZBMNLDSJHF-UHFFFAOYSA-N -1 3 361.329 0.557 10 0 FCAEHM COC(=O)C1(CNC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)CC1 ZINC001633263285 1282238039 /nfs/dbraw/zinc/23/80/39/1282238039.db2.gz BPMQZBMNLDSJHF-UHFFFAOYSA-N -1 3 361.329 0.557 10 0 FCAEHM COC(=O)c1ccn(CCCC(=O)NCc2nc(C(F)(F)F)n[n-]2)n1 ZINC001633578366 1282256836 /nfs/dbraw/zinc/25/68/36/1282256836.db2.gz QMKINHZOKXKDJK-UHFFFAOYSA-N -1 3 360.296 0.903 10 0 FCAEHM O=C(CCNS(=O)(=O)c1ccccc1F)NCCCc1c[n-][nH]c1=O ZINC001634138417 1282303508 /nfs/dbraw/zinc/30/35/08/1282303508.db2.gz CZXLEGOURUGEBF-LLVKDONJSA-N -1 3 370.406 0.122 10 0 FCAEHM C[C@H](C(=O)NCCCc1c[n-][nH]c1=O)S(=O)(=O)c1ccc(F)cc1 ZINC001634142897 1282303897 /nfs/dbraw/zinc/30/38/97/1282303897.db2.gz CCLADBNYGDUMCA-MNOVXSKESA-N -1 3 355.391 0.616 10 0 FCAEHM C[C@@H](C(=O)NCCCc1c[n-][nH]c1=O)S(=O)(=O)c1ccc(F)cc1 ZINC001634142898 1282304154 /nfs/dbraw/zinc/30/41/54/1282304154.db2.gz CCLADBNYGDUMCA-QWRGUYRKSA-N -1 3 355.391 0.616 10 0 FCAEHM CCc1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)OC)c([O-])c1 ZINC001587010902 1282325140 /nfs/dbraw/zinc/32/51/40/1282325140.db2.gz LDCFXJIGMPAZNU-LBPRGKRZSA-N -1 3 355.412 0.757 10 0 FCAEHM CS(=O)(=O)N1CCCC[C@H]1C(=O)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001634445988 1282330654 /nfs/dbraw/zinc/33/06/54/1282330654.db2.gz JFKUHIHJMAHAIP-LBPRGKRZSA-N -1 3 354.432 0.490 10 0 FCAEHM CC1=C(C)C(=O)N(CCC(=O)N2CCN(c3nc(C)cc(=O)[n-]3)CC2)C1=O ZINC001634978331 1282369135 /nfs/dbraw/zinc/36/91/35/1282369135.db2.gz VKNLJUUQSXMPFP-UHFFFAOYSA-N -1 3 373.413 0.235 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](COC)[C@H]2CCCOC2)c(C)o1 ZINC001634982428 1282369885 /nfs/dbraw/zinc/36/98/85/1282369885.db2.gz MDJKJDGHSXVGJZ-AAEUAGOBSA-N -1 3 360.432 0.668 10 0 FCAEHM O=C(CC1CS(=O)(=O)C1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001588156181 1282405469 /nfs/dbraw/zinc/40/54/69/1282405469.db2.gz OIUKRVNBWDTGBZ-UHFFFAOYSA-N -1 3 352.412 0.111 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)COCc3cc[nH]c(=O)c3)CC2)n1 ZINC001635636939 1282418711 /nfs/dbraw/zinc/41/87/11/1282418711.db2.gz IQBFZLSZZDJJJH-UHFFFAOYSA-N -1 3 373.413 0.893 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC[C@@H](O)[C@@H](O)C1 ZINC001635760437 1282431550 /nfs/dbraw/zinc/43/15/50/1282431550.db2.gz WUAQKSNRLSVPSX-CABCVRRESA-N -1 3 358.398 0.027 10 0 FCAEHM COc1ccc([C@@]2(C)NC(=O)N([N-]C(=O)c3ccnc(CO)c3)C2=O)cc1 ZINC001635978152 1282449221 /nfs/dbraw/zinc/44/92/21/1282449221.db2.gz XQGFSKBGSLFYPI-GOSISDBHSA-N -1 3 370.365 0.695 10 0 FCAEHM C[C@@H](NC(=O)CC1(n2cnnn2)CCOCC1)c1nc(C(F)(F)F)n[n-]1 ZINC001636092699 1282459563 /nfs/dbraw/zinc/45/95/63/1282459563.db2.gz SNHNTZMIZZLKNQ-MRVPVSSYSA-N -1 3 374.327 0.583 10 0 FCAEHM C[C@@H]1CN(C(=O)c2nnc3ccccc3c2[O-])C[C@H]1CS(N)(=O)=O ZINC001636314023 1282484414 /nfs/dbraw/zinc/48/44/14/1282484414.db2.gz YMPCHNPCOGLAMF-ZJUUUORDSA-N -1 3 350.400 0.332 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC(NC2COC2)C1 ZINC001636333585 1282487708 /nfs/dbraw/zinc/48/77/08/1282487708.db2.gz LVMYICXVXJIQNW-UHFFFAOYSA-N -1 3 369.425 0.272 10 0 FCAEHM O=C(C[C@@H]1NC(=O)c2ccccc21)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001636855849 1282543253 /nfs/dbraw/zinc/54/32/53/1282543253.db2.gz SWXNUIBJUILHQX-FZMZJTMJSA-N -1 3 353.382 0.752 10 0 FCAEHM O=C(NCCCc1cc(=O)[nH][n-]1)[C@H](O)[C@@](O)(c1ccccc1)C(F)(F)F ZINC001637041735 1282552767 /nfs/dbraw/zinc/55/27/67/1282552767.db2.gz RGTQHKKXAVVBFN-ZFWWWQNUSA-N -1 3 373.331 0.570 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CC[C@H](CS(N)(=O)=O)C2)c1 ZINC001637757653 1282621630 /nfs/dbraw/zinc/62/16/30/1282621630.db2.gz HWEKVGNITQWOKZ-WDEREUQCSA-N -1 3 367.427 0.704 10 0 FCAEHM O=C(Cc1nc[nH]n1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC001637881351 1282630839 /nfs/dbraw/zinc/63/08/39/1282630839.db2.gz GALPABNRXYMKNY-UHFFFAOYSA-N -1 3 351.388 0.476 10 0 FCAEHM CNC(=O)[C@H]1CCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C1 ZINC001638449278 1282698285 /nfs/dbraw/zinc/69/82/85/1282698285.db2.gz KFKVYYQELMYALZ-NSHDSACASA-N -1 3 369.418 0.475 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)C2CN(C(=O)OC(C)(C)C)C2)[n-]1 ZINC001638578037 1282706751 /nfs/dbraw/zinc/70/67/51/1282706751.db2.gz PLBBIWHMDNRFFT-UHFFFAOYSA-N -1 3 353.379 0.465 10 0 FCAEHM CC(C)(C)n1cc(CNC(=O)CNC(=O)c2ccc([O-])cc2)c(=O)[nH]c1=O ZINC001639041378 1282743645 /nfs/dbraw/zinc/74/36/45/1282743645.db2.gz YFWOORXXKDFJNZ-UHFFFAOYSA-N -1 3 374.397 0.456 10 0 FCAEHM Cn1ccc(NC(O)=C([O-])[C@](O)(c2ccccc2)C(F)(F)F)nc1=O ZINC001639577170 1282795734 /nfs/dbraw/zinc/79/57/34/1282795734.db2.gz ONYUWOJYZDQTCI-SMDDNHRTSA-N -1 3 357.288 0.364 10 0 FCAEHM O=C(N[C@@H](CO)C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1)OCc1ccccc1 ZINC001639639799 1282800078 /nfs/dbraw/zinc/80/00/78/1282800078.db2.gz IVBXUABRBLJMMC-HIFRSBDPSA-N -1 3 374.397 0.719 10 0 FCAEHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)[C@H]1CCS(=O)(=O)N1 ZINC001640048779 1282836660 /nfs/dbraw/zinc/83/66/60/1282836660.db2.gz OZSFQRDMIKTYKV-LLVKDONJSA-N -1 3 364.383 0.397 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccnc(N2CCCCC2)n1 ZINC001640104335 1282838027 /nfs/dbraw/zinc/83/80/27/1282838027.db2.gz BMBVENVIWBOMHE-CYBMUJFWSA-N -1 3 369.429 0.971 10 0 FCAEHM COC(=O)Cc1sccc1C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001640110785 1282841195 /nfs/dbraw/zinc/84/11/95/1282841195.db2.gz WNWFNOLABYAGQL-JTQLQIEISA-N -1 3 362.411 0.968 10 0 FCAEHM O=C(N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)c1cnn(C[C@H](O)CO)c1 ZINC001640270235 1282848729 /nfs/dbraw/zinc/84/87/29/1282848729.db2.gz VXAQRKOHILDVAX-UBHSHLNASA-N -1 3 361.402 0.188 10 0 FCAEHM C[C@H](NC(=O)[C@]1(C)C[C@@H](O)CN1C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001640315580 1282854693 /nfs/dbraw/zinc/85/46/93/1282854693.db2.gz MAUYXINIGZBRLI-PXDYOCJYSA-N -1 3 350.419 0.322 10 0 FCAEHM COC[C@@H](C(N)=O)N(C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001641551537 1282962506 /nfs/dbraw/zinc/96/25/06/1282962506.db2.gz FKSZGZVWVNKAOR-NSHDSACASA-N -1 3 363.823 0.284 10 0 FCAEHM O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NCCCc1c[n-][nH]c1=O ZINC001642445552 1283011969 /nfs/dbraw/zinc/01/19/69/1283011969.db2.gz LXCUOULLEHMZAB-NSHDSACASA-N -1 3 361.793 0.622 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@@H]1CN(C(=O)c2ncccn2)C[C@H]1C ZINC001682969121 1283820765 /nfs/dbraw/zinc/82/07/65/1283820765.db2.gz NJFOMSIQGHDHEE-BXUZGUMPSA-N -1 3 370.413 0.490 10 0 FCAEHM CC/C=C(\C)C(=O)N[C@@H]1CN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C[C@@H]1O ZINC001683375123 1283961934 /nfs/dbraw/zinc/96/19/34/1283961934.db2.gz BBUCEKJJTLZCGZ-GAWCXUJUSA-N -1 3 371.393 0.228 10 0 FCAEHM CSCCC(=O)N1C[C@@H](NC(=O)c2cc(=O)[n-]c(C3CC3)n2)[C@@H](O)C1 ZINC001683527049 1284017725 /nfs/dbraw/zinc/01/77/25/1284017725.db2.gz SNYATYQZILGWNQ-NEPJUHHUSA-N -1 3 366.443 0.114 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CN(C(=O)C2(CC(C)C)CC2)C[C@@H]1O ZINC001683632032 1284067177 /nfs/dbraw/zinc/06/71/77/1284067177.db2.gz QVWXDFAACAMFDI-OLZOCXBDSA-N -1 3 362.430 0.618 10 0 FCAEHM O=C(C[C@@H]1CCNC1=O)NC[C@H]1CC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001684430210 1284172738 /nfs/dbraw/zinc/17/27/38/1284172738.db2.gz VHZICGPTVMJVSS-MELADBBJSA-N -1 3 359.426 0.933 10 0 FCAEHM NC(=O)CCC1CCN(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)CC1 ZINC001684555535 1284200148 /nfs/dbraw/zinc/20/01/48/1284200148.db2.gz AGDXQOHINYIMOM-ZDUSSCGKSA-N -1 3 362.434 0.448 10 0 FCAEHM C[C@H](CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1)C(C)(C)C ZINC001719107807 1287754372 /nfs/dbraw/zinc/75/43/72/1287754372.db2.gz CYYUESYGSMTELD-RAIGVLPGSA-N -1 3 350.419 0.556 10 0 FCAEHM CC/C=C(/C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC001719118917 1287776708 /nfs/dbraw/zinc/77/67/08/1287776708.db2.gz ALHSHCZVSMTEAK-JNCZFZAYSA-N -1 3 371.393 0.228 10 0 FCAEHM COC[C@@H](C)CC(=O)NC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001702816340 1285908170 /nfs/dbraw/zinc/90/81/70/1285908170.db2.gz JEWQJOVXDNZIBH-YNEHKIRRSA-N -1 3 350.419 0.679 10 0 FCAEHM Cc1cc(C(=O)NCC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@H]2C)cnn1 ZINC001702835355 1285927401 /nfs/dbraw/zinc/92/74/01/1285927401.db2.gz JPLPSVUYWZKPKW-DGCLKSJQSA-N -1 3 370.413 0.809 10 0 FCAEHM Cc1ccnc(C(=O)NCC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@H]2C)n1 ZINC001702837527 1285930228 /nfs/dbraw/zinc/93/02/28/1285930228.db2.gz HRWDPGJHSIOELT-DGCLKSJQSA-N -1 3 370.413 0.809 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C1CC1 ZINC001703852761 1286154389 /nfs/dbraw/zinc/15/43/89/1286154389.db2.gz ODEVNPLSTXOXFD-JHJVBQTASA-N -1 3 370.413 0.642 10 0 FCAEHM CCN(CCNC(=O)c1nnc2ccccc2c1[O-])C(=O)[C@]12C[C@H]1COC2 ZINC001704315000 1286224427 /nfs/dbraw/zinc/22/44/27/1286224427.db2.gz VWCXEEJPAIFXHB-BUXKBTBVSA-N -1 3 370.409 0.950 10 0 FCAEHM CCCn1cc(CNC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])nn1 ZINC001594089709 1286225971 /nfs/dbraw/zinc/22/59/71/1286225971.db2.gz XMALZUJMFZQXCV-UHFFFAOYSA-N -1 3 372.360 0.805 10 0 FCAEHM CCCn1cc(CNC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)nn1 ZINC001594089709 1286225978 /nfs/dbraw/zinc/22/59/78/1286225978.db2.gz XMALZUJMFZQXCV-UHFFFAOYSA-N -1 3 372.360 0.805 10 0 FCAEHM O=C(NCCN(C(=O)[C@]12CCC[C@H]1OCC2)C1CC1)c1cnc[n-]c1=O ZINC001704406047 1286245345 /nfs/dbraw/zinc/24/53/45/1286245345.db2.gz RISULMVKWMNKJZ-KDOFPFPSSA-N -1 3 360.414 0.862 10 0 FCAEHM Cc1ccn(C[C@@H](C)C(=O)NC[C@H]2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)n1 ZINC001707106207 1286445410 /nfs/dbraw/zinc/44/54/10/1286445410.db2.gz YXTBJSIARUHRGU-KWCYVHTRSA-N -1 3 361.450 0.726 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1CCOCC(C)C ZINC001707196683 1286503801 /nfs/dbraw/zinc/50/38/01/1286503801.db2.gz JRICDWGLXKZNNR-NWDGAFQWSA-N -1 3 353.423 0.538 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)NC1CN(CCC[N-]C(=O)C(F)(F)F)C1 ZINC001732105738 1288575187 /nfs/dbraw/zinc/57/51/87/1288575187.db2.gz KDOBFRLPMQXISW-NEPJUHHUSA-N -1 3 351.369 0.671 10 0 FCAEHM O=C(NC1(CCO)CN(C(=O)c2ccccc2[O-])C1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001734829308 1288687844 /nfs/dbraw/zinc/68/78/44/1288687844.db2.gz XLKHTFLKCXELKQ-XPKDYRNWSA-N -1 3 360.410 0.653 10 0 FCAEHM COC(=O)[C@@H]1CN(C(=O)c2cc(NC(C)=O)ccc2[O-])C[C@H]1C(=O)OC ZINC001607288706 1288695095 /nfs/dbraw/zinc/69/50/95/1288695095.db2.gz KZGYYMQWWQTEIJ-CHWSQXEVSA-N -1 3 364.354 0.385 10 0 FCAEHM COCCN(CCNC(=O)[C@@H]1C[C@H]1C1CCC1)C(=O)c1cnc[n-]c1=O ZINC001735470118 1288751210 /nfs/dbraw/zinc/75/12/10/1288751210.db2.gz LKXDMJDHLMIYAX-UONOGXRCSA-N -1 3 362.430 0.823 10 0 FCAEHM CC[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2cc(=O)c3ccccc3[n-]2)C[C@H]1O ZINC001735729770 1288815412 /nfs/dbraw/zinc/81/54/12/1288815412.db2.gz YGXPBAGOHTULFZ-UXEPBGEESA-N -1 3 357.410 0.876 10 0 FCAEHM CCOCCCCCC(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1O ZINC001735757149 1288863806 /nfs/dbraw/zinc/86/38/06/1288863806.db2.gz URLAJAVXRZNVLB-ZIAGYGMSSA-N -1 3 366.418 0.081 10 0 FCAEHM CCC[C@H](C(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1O)C(C)C ZINC001735786474 1288911195 /nfs/dbraw/zinc/91/11/95/1288911195.db2.gz NQEJYCCOIBOEJK-BFHYXJOUSA-N -1 3 364.446 0.864 10 0 FCAEHM O=C(C[C@@H]1C[C@H]1C1CC1)NCc1nc(CNC(=O)c2ccn[nH]2)cc(=O)[n-]1 ZINC001736173146 1289188319 /nfs/dbraw/zinc/18/83/19/1289188319.db2.gz XXAHBZWTTADBMG-AAEUAGOBSA-N -1 3 370.413 0.888 10 0 FCAEHM C[C@H](C(=O)NC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C)n1cccn1 ZINC001736349263 1289271036 /nfs/dbraw/zinc/27/10/36/1289271036.db2.gz CXVQGQRFBVCXEY-JHJVBQTASA-N -1 3 358.402 0.464 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CCNC(=O)c1cc[n+]([O-])cc1 ZINC001736391365 1289304262 /nfs/dbraw/zinc/30/42/62/1289304262.db2.gz IRVSCUOQJWMPAG-TZMCWYRMSA-N -1 3 371.397 0.344 10 0 FCAEHM Cn1nccc1[C@@H]1C[C@H]1C(=O)NC[C@@](C)(NC(=O)c1cn[n-]n1)C1CC1 ZINC001738193472 1289640713 /nfs/dbraw/zinc/64/07/13/1289640713.db2.gz VXCDBHKSWZJFKD-PSTGCABASA-N -1 3 357.418 0.357 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N[C@H]1CCCn2nccc21 ZINC001611631048 1289664273 /nfs/dbraw/zinc/66/42/73/1289664273.db2.gz XFTOWGRTWNEFJV-NSHDSACASA-N -1 3 353.404 0.418 10 0 FCAEHM C[C@]1(C(=O)NC[C@H](CO)NC(=O)c2cnc[n-]c2=O)C[C@@H]1c1ccccc1 ZINC001738882739 1289744725 /nfs/dbraw/zinc/74/47/25/1289744725.db2.gz GZMCZYCOLDRFPW-MUKKUYKPSA-N -1 3 370.409 0.583 10 0 FCAEHM O=C(NC[C@@H](CO)NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)c1cccc2n[n-]nc21 ZINC001738884020 1289745391 /nfs/dbraw/zinc/74/53/91/1289745391.db2.gz GRTQAJIAMVQCEN-UKTARXLSSA-N -1 3 369.425 0.767 10 0 FCAEHM CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)NCCc1c(C)[n-][nH]c1=O ZINC001615925740 1289766495 /nfs/dbraw/zinc/76/64/95/1289766495.db2.gz NQRFLOULBZUYFJ-LTYVFUKFSA-N -1 3 352.460 0.872 10 0 FCAEHM C[C@@H](NC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])C(=O)NCCF ZINC001617744812 1289862529 /nfs/dbraw/zinc/86/25/29/1289862529.db2.gz UMBMMHZEDNEWCQ-SECBINFHSA-N -1 3 366.324 0.078 10 0 FCAEHM C[C@@H](NC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O)C(=O)NCCF ZINC001617744812 1289862541 /nfs/dbraw/zinc/86/25/41/1289862541.db2.gz UMBMMHZEDNEWCQ-SECBINFHSA-N -1 3 366.324 0.078 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2(C(F)F)CCC2)C1 ZINC001702206584 1289865163 /nfs/dbraw/zinc/86/51/63/1289865163.db2.gz CAXFOGYPWREJBU-NXEZZACHSA-N -1 3 370.356 0.228 10 0 FCAEHM CCn1c(Br)ncc1C(=O)Nc1nc(CC(=O)OC)n[n-]1 ZINC001618404378 1289905236 /nfs/dbraw/zinc/90/52/36/1289905236.db2.gz RFRKASQZISHHGR-UHFFFAOYSA-N -1 3 357.168 0.751 10 0 FCAEHM CCn1c(Br)ncc1C(=O)Nc1n[n-]c(CC(=O)OC)n1 ZINC001618404378 1289905242 /nfs/dbraw/zinc/90/52/42/1289905242.db2.gz RFRKASQZISHHGR-UHFFFAOYSA-N -1 3 357.168 0.751 10 0 FCAEHM Cc1nc(C)c(CC(=O)N2C[C@@H](C)[C@H](NC(=O)[C@H](O)C(C)C)C2)c(=O)[n-]1 ZINC001702246344 1289907876 /nfs/dbraw/zinc/90/78/76/1289907876.db2.gz OYFZOFQEGFRIRL-QSGSBWRWSA-N -1 3 364.446 0.322 10 0 FCAEHM CN(C)S(=O)(=O)N1CCN(Cc2nnc(-c3ccccc3[O-])o2)CC1 ZINC001619923129 1289969232 /nfs/dbraw/zinc/96/92/32/1289969232.db2.gz PNBMDWGFAMGKCW-UHFFFAOYSA-N -1 3 367.431 0.366 10 0 FCAEHM COC[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2c(C)nc(C)[n-]c2=O)C1 ZINC001739511851 1290089802 /nfs/dbraw/zinc/08/98/02/1290089802.db2.gz VJGIIXQCRZPZAE-UEKVPHQBSA-N -1 3 364.446 0.587 10 0 FCAEHM C[C@@H](CCNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])[S@@](C)=O ZINC001622136147 1290096326 /nfs/dbraw/zinc/09/63/26/1290096326.db2.gz ZNFZTPOYHFZPBY-UXMMLNGASA-N -1 3 367.402 0.761 10 0 FCAEHM C[C@@H](CCNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O)[S@@](C)=O ZINC001622136147 1290096338 /nfs/dbraw/zinc/09/63/38/1290096338.db2.gz ZNFZTPOYHFZPBY-UXMMLNGASA-N -1 3 367.402 0.761 10 0 FCAEHM O=C(Nc1ccccc1)C(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@@H]1O ZINC001702368863 1290146817 /nfs/dbraw/zinc/14/68/17/1290146817.db2.gz AKKFTUZXNSSOFO-ZBFHGGJFSA-N -1 3 369.377 0.332 10 0 FCAEHM C[C@H](CCC(C)(C)C)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@@H]1O ZINC001702372242 1290153693 /nfs/dbraw/zinc/15/36/93/1290153693.db2.gz CHJOAKCOWFMWRS-BNOWGMLFSA-N -1 3 364.446 0.946 10 0 FCAEHM CCC[C@@H](OC)C(=O)N1C[C@@H](NC(=O)c2c(C)nc[n-]c2=O)[C@H](OC)C1 ZINC001739587174 1290202873 /nfs/dbraw/zinc/20/28/73/1290202873.db2.gz AMMSTIOZGBZLEJ-JHJVBQTASA-N -1 3 366.418 0.261 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@]2(C)C[C@H](O)CN2C)cc1OC ZINC001625195746 1290325498 /nfs/dbraw/zinc/32/54/98/1290325498.db2.gz IFIOLXQTWAGZEI-LRDDRELGSA-N -1 3 371.459 0.850 10 0 FCAEHM CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CCc3nc[n-]c(=O)c3C2)C1 ZINC001625499915 1290345297 /nfs/dbraw/zinc/34/52/97/1290345297.db2.gz NRKRRXASUYIZSL-UHFFFAOYSA-N -1 3 364.402 0.439 10 0 FCAEHM O=C(COCC(F)F)N1CC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)[C@@H]2C1 ZINC001739715970 1290384637 /nfs/dbraw/zinc/38/46/37/1290384637.db2.gz GBHKDQKXAJIDRO-MWLCHTKSSA-N -1 3 356.329 0.137 10 0 FCAEHM O=C(c1nc[n-]c(=O)c1Br)N1CCN(C[C@@H]2CCOC2)CC1 ZINC001626712873 1290412643 /nfs/dbraw/zinc/41/26/43/1290412643.db2.gz CUASQYKLWOIVQP-JTQLQIEISA-N -1 3 371.235 0.739 10 0 FCAEHM O=C(NCC1CC1)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001739905747 1290434604 /nfs/dbraw/zinc/43/46/04/1290434604.db2.gz VBQAQCKLEDRBNB-UONOGXRCSA-N -1 3 359.426 0.933 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H](F)C1CN(C(=O)OC(C)(C)C)C1 ZINC001627152736 1290440811 /nfs/dbraw/zinc/44/08/11/1290440811.db2.gz JHYDUPZIKJTILK-NEPJUHHUSA-N -1 3 356.398 0.820 10 0 FCAEHM CO[C@H](C)C(=O)NCc1nc(CNC(=O)C[C@@H]2C[C@H]2C2CC2)cc(=O)[n-]1 ZINC001739980042 1290457150 /nfs/dbraw/zinc/45/71/50/1290457150.db2.gz BXSMUERDKWFTIE-OSMZGAPFSA-N -1 3 362.430 0.886 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c1 ZINC001627748450 1290483609 /nfs/dbraw/zinc/48/36/09/1290483609.db2.gz BBFDJGUOZQJDHV-LLVKDONJSA-N -1 3 353.400 0.280 10 0 FCAEHM COCCO[C@@H](C)C(=O)N1C[C@@H](CNC(=O)c2cnc[n-]c2=O)[C@H](C)C1 ZINC001740177548 1290508899 /nfs/dbraw/zinc/50/88/99/1290508899.db2.gz GPDBRHKCCRANIZ-FRRDWIJNSA-N -1 3 366.418 0.058 10 0 FCAEHM COc1cccc([O-])c1C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC001630509497 1290672528 /nfs/dbraw/zinc/67/25/28/1290672528.db2.gz CLURMVWCJKMWGC-UHFFFAOYSA-N -1 3 355.372 0.238 10 0 FCAEHM O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NCCCc1c[n-][nH]c1=O ZINC001630631423 1290682281 /nfs/dbraw/zinc/68/22/81/1290682281.db2.gz HYISRXDEBOLPII-NSHDSACASA-N -1 3 357.370 0.120 10 0 FCAEHM CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)NCCCc2c[n-][nH]c2=O)C1 ZINC001630631989 1290682464 /nfs/dbraw/zinc/68/24/64/1290682464.db2.gz ONSASZRACWSKED-RYUDHWBXSA-N -1 3 350.419 0.872 10 0 FCAEHM CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)NCCCc1c[n-][nH]c1=O ZINC001630631672 1290683439 /nfs/dbraw/zinc/68/34/39/1290683439.db2.gz LZEAMCRDUYCIAV-TUAOUCFPSA-N -1 3 354.407 0.297 10 0 FCAEHM CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCc1c[n-][nH]c1=O ZINC001630631080 1290683459 /nfs/dbraw/zinc/68/34/59/1290683459.db2.gz FCHSSNQFRGDSFZ-GUYCJALGSA-N -1 3 369.425 0.843 10 0 FCAEHM C[C@@]1(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)CCNC1=O ZINC001631138668 1290716368 /nfs/dbraw/zinc/71/63/68/1290716368.db2.gz RFUQNPHAXDUXQX-GFCCVEGCSA-N -1 3 365.864 0.322 10 0 FCAEHM COC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc(OC)cc1[O-] ZINC001643358151 1290876650 /nfs/dbraw/zinc/87/66/50/1290876650.db2.gz DBODSCZXLVJHLL-SNVBAGLBSA-N -1 3 357.384 0.203 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)C2N=NC(=O)N2C)ccc1F ZINC001643993822 1290934654 /nfs/dbraw/zinc/93/46/54/1290934654.db2.gz AQGPQHPYYIOMMD-ZETCQYMHSA-N -1 3 357.367 0.059 10 0 FCAEHM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1ccc(-n2ccnc2)nn1 ZINC001644156165 1290944238 /nfs/dbraw/zinc/94/42/38/1290944238.db2.gz FTQBANHZIVLSBL-UHFFFAOYSA-N -1 3 353.342 0.161 10 0 FCAEHM CN(CC(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1)S(=O)(=O)c1cccnc1 ZINC001644260804 1290950735 /nfs/dbraw/zinc/95/07/35/1290950735.db2.gz GZYHWLQDXQQYSM-LLVKDONJSA-N -1 3 365.415 0.147 10 0 FCAEHM CS(=O)(=O)NCc1ccc(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)o1 ZINC001644269039 1290951226 /nfs/dbraw/zinc/95/12/26/1290951226.db2.gz VSRPJRKPRBKIBE-UHFFFAOYSA-N -1 3 358.401 0.043 10 0 FCAEHM C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001644273007 1290951555 /nfs/dbraw/zinc/95/15/55/1290951555.db2.gz LWCFJMFPYZTKFP-XCBNKYQSSA-N -1 3 358.420 0.361 10 0 FCAEHM COc1ccc(OC)c(NC(=O)C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)c1 ZINC001644268844 1290951898 /nfs/dbraw/zinc/95/18/98/1290951898.db2.gz NUTGLULQNGXFOG-UHFFFAOYSA-N -1 3 364.383 0.743 10 0 FCAEHM O=C(COCCNC(=O)c1ccccc1)N1CCC(Cc2nnn[n-]2)CC1 ZINC001644765632 1290982076 /nfs/dbraw/zinc/98/20/76/1290982076.db2.gz VOOHJEYCFVVGTM-UHFFFAOYSA-N -1 3 372.429 0.427 10 0 FCAEHM O=C(COCCNC(=O)c1ccccc1)N1CCC(Cc2nn[n-]n2)CC1 ZINC001644765632 1290982081 /nfs/dbraw/zinc/98/20/81/1290982081.db2.gz VOOHJEYCFVVGTM-UHFFFAOYSA-N -1 3 372.429 0.427 10 0 FCAEHM O=C(CSc1nnc2ccccn21)N1CCC(Cc2nnn[n-]2)CC1 ZINC001644765419 1290982205 /nfs/dbraw/zinc/98/22/05/1290982205.db2.gz MLFQELQURNMADU-UHFFFAOYSA-N -1 3 358.431 0.816 10 0 FCAEHM O=C(CSc1nnc2ccccn21)N1CCC(Cc2nn[n-]n2)CC1 ZINC001644765419 1290982212 /nfs/dbraw/zinc/98/22/12/1290982212.db2.gz MLFQELQURNMADU-UHFFFAOYSA-N -1 3 358.431 0.816 10 0 FCAEHM C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](CNC(=O)c1ccc(-c3nnn[n-]3)cn1)O2 ZINC001644921497 1290994541 /nfs/dbraw/zinc/99/45/41/1290994541.db2.gz URTNVDQIUSNXDX-JJTUWOBKSA-N -1 3 358.402 0.964 10 0 FCAEHM C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](CNC(=O)c1ccc(-c3nn[n-]n3)cn1)O2 ZINC001644921497 1290994548 /nfs/dbraw/zinc/99/45/48/1290994548.db2.gz URTNVDQIUSNXDX-JJTUWOBKSA-N -1 3 358.402 0.964 10 0 FCAEHM C/C=C\[C@H](O)C(=O)NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1 ZINC001646003849 1291052729 /nfs/dbraw/zinc/05/27/29/1291052729.db2.gz BPFPMTYVMMNSHN-GZTOBOFZSA-N -1 3 352.391 0.760 10 0 FCAEHM COC(=O)[C@H]1CN(C(=O)c2cc3c(cc2[O-])OCO3)C[C@@H]1C(=O)OC ZINC001647950140 1291089358 /nfs/dbraw/zinc/08/93/58/1291089358.db2.gz UOGYKHFYQNEFLV-UWVGGRQHSA-N -1 3 351.311 0.155 10 0 FCAEHM Cn1cc([C@@H]2C[C@H]2C(=O)NC[C@@H](CO)NC(=O)c2ccccc2[O-])cn1 ZINC001649482126 1291154157 /nfs/dbraw/zinc/15/41/57/1291154157.db2.gz QWWVHIBJKPLLPN-AEGPPILISA-N -1 3 358.398 0.136 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)C[C@H]3CCCS3(=O)=O)CC2)n1 ZINC001652070965 1291257603 /nfs/dbraw/zinc/25/76/03/1291257603.db2.gz KHHIQFSAYFLBLR-GFCCVEGCSA-N -1 3 354.432 0.107 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)COc3c(=O)ccoc3C)CC2)n1 ZINC001652070763 1291258438 /nfs/dbraw/zinc/25/84/38/1291258438.db2.gz HDIDKTGVEFCOBO-UHFFFAOYSA-N -1 3 360.370 0.480 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)[C@@H](C)N3C(=O)CCC3=O)CC2)n1 ZINC001652481730 1291281003 /nfs/dbraw/zinc/28/10/03/1291281003.db2.gz APMHOXNIHNAUGF-LLVKDONJSA-N -1 3 361.402 0.113 10 0 FCAEHM O=C([N-]Cc1ccc(C(=O)N2CC(N[C@H]3CCOC3)C2)o1)C(F)(F)F ZINC001652690358 1291290563 /nfs/dbraw/zinc/29/05/63/1291290563.db2.gz DQTGSVLFKXYGMM-VIFPVBQESA-N -1 3 361.320 0.661 10 0 FCAEHM CC(=O)N1CCC(NC(=O)CN2Cc3nc(C4CC4)[n-]c(=O)c3C2)CC1 ZINC001654688914 1291427605 /nfs/dbraw/zinc/42/76/05/1291427605.db2.gz ITLHOQGIHWYFMH-UHFFFAOYSA-N -1 3 359.430 0.502 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NCC1(C2(O)CCC2)CCC1 ZINC001654808477 1291437618 /nfs/dbraw/zinc/43/76/18/1291437618.db2.gz HDGGENVILPQKPB-UHFFFAOYSA-N -1 3 371.459 0.771 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N[C@H](CCO)C1CCCC1 ZINC001654835389 1291439220 /nfs/dbraw/zinc/43/92/20/1291439220.db2.gz LYRCGSQYAFAULR-CYBMUJFWSA-N -1 3 359.448 0.627 10 0 FCAEHM COc1cnc([C@@H]2CCCN2C[C@H](O)CC2(O)CCOCC2)[n-]c1=O ZINC001655020109 1291449613 /nfs/dbraw/zinc/44/96/13/1291449613.db2.gz QKFZEUCPESGHOW-OLZOCXBDSA-N -1 3 353.419 0.620 10 0 FCAEHM CC(=O)c1ccc(S(=O)(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1 ZINC001665982795 1291894208 /nfs/dbraw/zinc/89/42/08/1291894208.db2.gz SBCVMCQIIMZNEK-ZDUSSCGKSA-N -1 3 362.411 0.942 10 0 FCAEHM CN(C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)[C@H]1CCCCN(C)C1=O ZINC001676589148 1292211408 /nfs/dbraw/zinc/21/14/08/1292211408.db2.gz VNKFDFLSZOLGKP-STQMWFEESA-N -1 3 362.434 0.413 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N(C)[C@@H](C)CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001678266212 1292256573 /nfs/dbraw/zinc/25/65/73/1292256573.db2.gz QYALVDBFIQLCFY-FIWWZFGMSA-N -1 3 360.414 0.491 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2c(C)nc[n-]c2=O)CCN1C(=O)[C@H](C)NC(C)=O ZINC001684983263 1292389459 /nfs/dbraw/zinc/38/94/59/1292389459.db2.gz LVRNYMSIGCZWPV-WCFLWFBJSA-N -1 3 363.418 0.125 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2c(C)nc[n-]c2=O)CCN1C(=O)[C@@H](C)CC(N)=O ZINC001684983241 1292390369 /nfs/dbraw/zinc/39/03/69/1292390369.db2.gz LCLYXQKOKGYFKY-ZMLRMANQSA-N -1 3 363.418 0.111 10 0 FCAEHM CO[C@H](C)C(=O)NC[C@@H]1CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C[C@H]1C ZINC001685611517 1292573530 /nfs/dbraw/zinc/57/35/30/1292573530.db2.gz RAXUTQADKYKYOK-NQBHXWOUSA-N -1 3 362.430 0.919 10 0 FCAEHM COc1cccc([C@@H](O)CNC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)c1 ZINC001685645304 1292580419 /nfs/dbraw/zinc/58/04/19/1292580419.db2.gz PYPAJNCXEAEZII-ZFWWWQNUSA-N -1 3 373.413 0.802 10 0 FCAEHM COc1ccccc1[C@H](CO)NC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001685645686 1292582138 /nfs/dbraw/zinc/58/21/38/1292582138.db2.gz WKBZDAWBMAEDJA-OCCSQVGLSA-N -1 3 373.413 0.802 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CC[C@@H](Cn2ccnn2)C1 ZINC001687789863 1293013147 /nfs/dbraw/zinc/01/31/47/1293013147.db2.gz NENCYFRPNMYKCF-CHWSQXEVSA-N -1 3 358.406 0.084 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)NC[C@H](C)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001688159437 1293045083 /nfs/dbraw/zinc/04/50/83/1293045083.db2.gz UMHUVEPFRRQPQV-RCLBLLGDSA-N -1 3 374.441 0.468 10 0 FCAEHM CC(C)(C)NC(=O)COC(=O)c1ccc(S(=O)(=O)[N-]CCO)s1 ZINC000745151985 836123244 /nfs/dbraw/zinc/12/32/44/836123244.db2.gz UBLSVCVTJDDGCE-UHFFFAOYSA-N -1 3 364.445 0.090 10 0 FCAEHM CC[S@@](=O)CC[N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC ZINC000749109233 836342731 /nfs/dbraw/zinc/34/27/31/836342731.db2.gz XSYIQXNUYYJDFU-HXUWFJFHSA-N -1 3 355.459 0.590 10 0 FCAEHM CC[S@](=O)CC[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC ZINC000751089225 836465384 /nfs/dbraw/zinc/46/53/84/836465384.db2.gz CUQNZVWBRAMLRK-FQEVSTJZSA-N -1 3 354.837 0.569 10 0 FCAEHM CC1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)CC1 ZINC001118241844 847340351 /nfs/dbraw/zinc/34/03/51/847340351.db2.gz PGNPUXBEDDLLTL-CQSZACIVSA-N -1 3 351.447 0.787 10 0 FCAEHM CCc1nnc([C@@H](C)OC(=O)c2ccc(S(=O)(=O)[N-]CCO)s2)[nH]1 ZINC001118452964 847430217 /nfs/dbraw/zinc/43/02/17/847430217.db2.gz HZNVKFWAGWREKU-MRVPVSSYSA-N -1 3 374.444 0.617 10 0 FCAEHM COc1ccc(C(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)c([O-])c1 ZINC001123931137 848656099 /nfs/dbraw/zinc/65/60/99/848656099.db2.gz UDJQQPQJXNVBOJ-UHFFFAOYSA-N -1 3 355.412 0.821 10 0 FCAEHM COc1cccc([O-])c1C(=O)N1CCOC2(CCS(=O)(=O)CC2)C1 ZINC001123990059 848663951 /nfs/dbraw/zinc/66/39/51/848663951.db2.gz GUGONGRGGAVWPB-UHFFFAOYSA-N -1 3 355.412 0.821 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001136654146 849233327 /nfs/dbraw/zinc/23/33/27/849233327.db2.gz UZHXIXNJLOFKCV-NWDGAFQWSA-N -1 3 354.407 0.251 10 0 FCAEHM CCS(=O)(=O)N(C)CC(=O)N[C@H](C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001140274141 849359851 /nfs/dbraw/zinc/35/98/51/849359851.db2.gz ZNGMYJPTUJPAFY-WDEREUQCSA-N -1 3 372.447 0.148 10 0 FCAEHM CC(=O)c1cccc(NC(=O)c2cnn3c2S(=O)(=O)N(C)CC3)c1[O-] ZINC001141651661 849403731 /nfs/dbraw/zinc/40/37/31/849403731.db2.gz OVMKINMSVHYVJE-UHFFFAOYSA-N -1 3 364.383 0.678 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cccc(S(=O)(=O)C(F)F)c1 ZINC001144232768 849513228 /nfs/dbraw/zinc/51/32/28/849513228.db2.gz IWLGPOBTMOMYQM-LLVKDONJSA-N -1 3 359.354 0.925 10 0 FCAEHM C[C@H](NS(=O)(=O)c1cccs1)C(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001144520306 849525130 /nfs/dbraw/zinc/52/51/30/849525130.db2.gz ZYBFOEVZONABLV-ZETCQYMHSA-N -1 3 374.469 0.516 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@@H](N3CCOCC3)C2(C)C)co1 ZINC001164313421 850405065 /nfs/dbraw/zinc/40/50/65/850405065.db2.gz HZNFJOODZZFAEC-CHWSQXEVSA-N -1 3 371.459 0.417 10 0 FCAEHM Cc1nc(CS(C)(=O)=O)sc1CC(=O)NCCCc1c[n-][nH]c1=O ZINC001168402508 850585448 /nfs/dbraw/zinc/58/54/48/850585448.db2.gz CZHGWNASTYTLEP-JTQLQIEISA-N -1 3 372.472 0.167 10 0 FCAEHM C[C@@H](CC(=O)N[C@@H]1CC12CC(O)C2)[N-]S(=O)(=O)c1cccnc1Cl ZINC001178968824 850942075 /nfs/dbraw/zinc/94/20/75/850942075.db2.gz UJFBLUGJXUXBMA-OUVRZQPTSA-N -1 3 373.862 0.822 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(CC(C)(F)F)CC2)c(C)o1 ZINC001179275136 850967048 /nfs/dbraw/zinc/96/70/48/850967048.db2.gz YCVKMYZPMBTNFD-UHFFFAOYSA-N -1 3 365.402 0.909 10 0 FCAEHM CSc1nnc(CNC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)s1 ZINC001234556966 857408127 /nfs/dbraw/zinc/40/81/27/857408127.db2.gz WXOWTXDQFUIXJV-MRVPVSSYSA-N -1 3 367.460 0.834 10 0 FCAEHM C[C@H](CC(=O)N1C[C@H](O)C2(CC2)C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC001255296504 858007002 /nfs/dbraw/zinc/00/70/02/858007002.db2.gz NCQNFPADTCOHTG-PWSUYJOCSA-N -1 3 373.862 0.775 10 0 FCAEHM O=C(CCc1cncs1)NC[C@H]1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001263918977 859241118 /nfs/dbraw/zinc/24/11/18/859241118.db2.gz BCITXDWURPHJAM-WDEREUQCSA-N -1 3 350.448 0.974 10 0 FCAEHM Cc1conc1CN[C@@H]1CC[C@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001263927408 859244485 /nfs/dbraw/zinc/24/44/85/859244485.db2.gz GHECTJJMDAALEG-WDEREUQCSA-N -1 3 350.379 0.060 10 0 FCAEHM CCC[C@@H](C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1O)C(C)C ZINC001281717396 863680194 /nfs/dbraw/zinc/68/01/94/863680194.db2.gz BWJGMKFBRQPFDU-MRVWCRGKSA-N -1 3 350.419 0.556 10 0 FCAEHM COCCC[C@H](C)C(=O)N1C[C@@H](NC(=O)c2ccccc2[O-])[C@@H](O)C1 ZINC001281867683 863850472 /nfs/dbraw/zinc/85/04/72/863850472.db2.gz VTCLYGUYNHFOHN-BJJXKVORSA-N -1 3 350.415 0.756 10 0 FCAEHM CSC[C@H](C)C(=O)N1C[C@H]2CCN(C(=O)c3cnc[n-]c3=O)C[C@H]21 ZINC001281950529 863996079 /nfs/dbraw/zinc/99/60/79/863996079.db2.gz SQIRGPQUBRCFKI-DMDPSCGWSA-N -1 3 350.444 0.854 10 0 FCAEHM CC[C@H](F)C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@]23C[C@H]2COC3)n1 ZINC001282234921 864130517 /nfs/dbraw/zinc/13/05/17/864130517.db2.gz SOJJBKNSCAQUIO-QEKSWQHZSA-N -1 3 352.366 0.199 10 0 FCAEHM COC[C@H](C)C(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2cnc[n-]c2=O)C1 ZINC001282545986 864339006 /nfs/dbraw/zinc/33/90/06/864339006.db2.gz ITDFBMVJFGFHAM-FRRDWIJNSA-N -1 3 350.419 0.679 10 0 FCAEHM C[C@@H](CCCNC(=O)[C@H]1OCCO[C@H]1C)NC(=O)c1cnc[n-]c1=O ZINC001287245383 864711057 /nfs/dbraw/zinc/71/10/57/864711057.db2.gz LPNOYOITPGDWIV-GVXVVHGQSA-N -1 3 352.391 0.001 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F ZINC001292969942 865765313 /nfs/dbraw/zinc/76/53/13/865765313.db2.gz QYANIDSRFFNQKO-ZJUUUORDSA-N -1 3 364.324 0.778 10 0 FCAEHM CCS(=O)(=O)c1ccc(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)c(N)c1 ZINC001300199193 866215287 /nfs/dbraw/zinc/21/52/87/866215287.db2.gz MXMDPLIQUPPILM-UHFFFAOYSA-N -1 3 368.440 0.777 10 0 FCAEHM CS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)n1 ZINC001300198100 866215963 /nfs/dbraw/zinc/21/59/63/866215963.db2.gz RZEMPQXMRXENEU-UHFFFAOYSA-N -1 3 374.831 0.853 10 0 FCAEHM O=C(Cc1ccc([O-])c(F)c1)N1CCOC2(CCS(=O)(=O)CC2)C1 ZINC001350827713 866700855 /nfs/dbraw/zinc/70/08/55/866700855.db2.gz SUNOUADOZLFFCH-UHFFFAOYSA-N -1 3 357.403 0.880 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)C1CCS(=O)(=O)CC1)c1nc(C(C)(C)C)no1 ZINC001318775211 867747321 /nfs/dbraw/zinc/74/73/21/867747321.db2.gz ATUFYBPJJJTUSV-VIFPVBQESA-N -1 3 365.477 0.925 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)N(CC)CCNC(=O)c1c(C)nc[n-]c1=O ZINC001356179921 867951137 /nfs/dbraw/zinc/95/11/37/867951137.db2.gz IUMQAJIKICQWKB-OCCSQVGLSA-N -1 3 350.419 0.884 10 0 FCAEHM CC(C)(C)n1cnc(NC(=O)C(=O)NCc2nc(C(F)(F)F)n[n-]2)n1 ZINC001320397008 868157329 /nfs/dbraw/zinc/15/73/29/868157329.db2.gz ASNKQGMSWHOKIK-UHFFFAOYSA-N -1 3 360.300 0.425 10 0 FCAEHM CC[C@@H](NC(=O)C(=O)NCc1nc(C(F)(F)F)n[n-]1)[C@H]1CCCCO1 ZINC001327237015 870736749 /nfs/dbraw/zinc/73/67/49/870736749.db2.gz SHYUFWRINGZNLI-RKDXNWHRSA-N -1 3 363.340 0.904 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NCc1cc(=O)[n-]c(CNC(=O)CC(C)(C)O)n1 ZINC001344649919 870971637 /nfs/dbraw/zinc/97/16/37/870971637.db2.gz LQJXMAKWXNJLFP-ZYHUDNBSSA-N -1 3 350.419 0.622 10 0 FCAEHM O=C(NCc1ccc([O-])c(F)c1)C(=O)NC[C@@H]1CN(C2CC2)C(=O)O1 ZINC001329219588 871896908 /nfs/dbraw/zinc/89/69/08/871896908.db2.gz JBFIDRHVODFHGM-LLVKDONJSA-N -1 3 351.334 0.247 10 0 FCAEHM CNS(=O)(=O)C[C@H]1CCCN(C(=O)CCc2c(C)nc(C)[n-]c2=O)C1 ZINC001329288310 871934909 /nfs/dbraw/zinc/93/49/09/871934909.db2.gz OWUYVSHTDVCGOL-ZDUSSCGKSA-N -1 3 370.475 0.519 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H]2C[C@@H](C)n3ncnc32)on1 ZINC001329792012 872260966 /nfs/dbraw/zinc/26/09/66/872260966.db2.gz HIRFROBKKOEIIB-PSASIEDQSA-N -1 3 355.376 0.568 10 0 FCAEHM CCO[C@H](C(=O)N[C@@H]1CCN(c2nc(C)cc(=O)[n-]2)C1)[C@@H]1CCOC1 ZINC001347670804 872445479 /nfs/dbraw/zinc/44/54/79/872445479.db2.gz GYBBFFFMWWFTKA-NFAWXSAZSA-N -1 3 350.419 0.627 10 0 FCAEHM COCCCOCCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn[n-]n1)C2 ZINC001347674727 872447336 /nfs/dbraw/zinc/44/73/36/872447336.db2.gz NKQSMNUIFJCLGU-BZPMIXESSA-N -1 3 351.407 0.110 10 0 FCAEHM CO[C@]12CCC[C@@]1([N-]S(=O)(=O)C[C@H]1CCCS(=O)(=O)C1)CCO2 ZINC001332336872 873462297 /nfs/dbraw/zinc/46/22/97/873462297.db2.gz NEPUNTBTYWOESV-MJBXVCDLSA-N -1 3 367.489 0.416 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-]C[C@@H](O)c2ccccc2OC)CCC1 ZINC000291712298 214052138 /nfs/dbraw/zinc/05/21/38/214052138.db2.gz OUUSCGPTHSAQQU-CYBMUJFWSA-N -1 3 357.428 0.991 10 0 FCAEHM CC[C@H]1CCN1S(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000291979100 214068804 /nfs/dbraw/zinc/06/88/04/214068804.db2.gz RPYXFLQRLJNMEI-MGPLVRAMSA-N -1 3 367.427 0.923 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H]2COC)cc1F ZINC000292468506 214102097 /nfs/dbraw/zinc/10/20/97/214102097.db2.gz CDJHLKDUOFLRNC-JTQLQIEISA-N -1 3 366.436 0.997 10 0 FCAEHM CCn1ncc(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)n1 ZINC000293022014 214139218 /nfs/dbraw/zinc/13/92/18/214139218.db2.gz JGPHCPYIROHTRJ-UHFFFAOYSA-N -1 3 369.472 0.943 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCCc1cnn(C)n1 ZINC000293780884 214201280 /nfs/dbraw/zinc/20/12/80/214201280.db2.gz BEORIXGMLNCRIT-NSHDSACASA-N -1 3 369.422 0.370 10 0 FCAEHM CCOC(=O)COCC[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000295514783 214301638 /nfs/dbraw/zinc/30/16/38/214301638.db2.gz OXEOEEVTDVFVQT-UHFFFAOYSA-N -1 3 356.322 0.958 10 0 FCAEHM C[C@H]1C[C@H](S(=O)(=O)NCCCNC(=O)c2cccc([O-])c2)CCO1 ZINC000295508821 214301993 /nfs/dbraw/zinc/30/19/93/214301993.db2.gz HUOJDYDHEPAEQV-SWLSCSKDSA-N -1 3 356.444 0.999 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CC[C@H](C(=O)OC)C2)s1 ZINC000298877642 214625273 /nfs/dbraw/zinc/62/52/73/214625273.db2.gz NDJOWRKTPILIKW-VIFPVBQESA-N -1 3 361.445 0.361 10 0 FCAEHM Cc1cc(CS(=O)(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)no1 ZINC000265765951 210216340 /nfs/dbraw/zinc/21/63/40/210216340.db2.gz HVUBQMLHRARHHD-UHFFFAOYSA-N -1 3 365.411 0.976 10 0 FCAEHM CCOC(=O)[C@H](Cc1ccccc1)N(C(=O)CN1CC(=O)[N-]C1=O)C1CC1 ZINC000265702367 210201675 /nfs/dbraw/zinc/20/16/75/210201675.db2.gz ZEQDYNMSNDZMIL-HNNXBMFYSA-N -1 3 373.409 0.704 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000265678307 210195967 /nfs/dbraw/zinc/19/59/67/210195967.db2.gz DHUQGIRNSKJFNQ-UHFFFAOYSA-N -1 3 364.789 0.063 10 0 FCAEHM COc1cc(NC(=O)C[N-]S(=O)(=O)CC(C)(C)OC)cc(OC)c1 ZINC000290883967 214000568 /nfs/dbraw/zinc/00/05/68/214000568.db2.gz ZAZCHYYNDUKSJM-UHFFFAOYSA-N -1 3 360.432 0.987 10 0 FCAEHM CN1C[C@H](NC(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)CCC1=O ZINC000265660324 210190612 /nfs/dbraw/zinc/19/06/12/210190612.db2.gz AWYRPUBDNVRPBC-CQSZACIVSA-N -1 3 360.414 0.480 10 0 FCAEHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H]2CCC(=O)N(C)C2)s1 ZINC000265632436 210183502 /nfs/dbraw/zinc/18/35/02/210183502.db2.gz FAMJTVZJXZEBGV-NSHDSACASA-N -1 3 359.473 0.326 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCN(c2nc3ccccc3s2)CC1 ZINC000265463963 210141079 /nfs/dbraw/zinc/14/10/79/210141079.db2.gz UTGJNSZLPMGPHF-UHFFFAOYSA-N -1 3 359.411 0.497 10 0 FCAEHM Cc1nn2c(nnc2SCC(=O)N2CCO[C@@H]3CCCC[C@H]32)[n-]c1=O ZINC000265204457 210074521 /nfs/dbraw/zinc/07/45/21/210074521.db2.gz UNOOOSCWKQLKFN-GHMZBOCLSA-N -1 3 364.431 0.795 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCN(c2ccc3ccccc3n2)CC1 ZINC000264913563 210014628 /nfs/dbraw/zinc/01/46/28/210014628.db2.gz ZVVQGNPZFDLSEN-UHFFFAOYSA-N -1 3 353.382 0.435 10 0 FCAEHM Cc1cccc(C(=O)N2CCCN(C(=O)CN3CC(=O)[N-]C3=O)CC2)c1 ZINC000264892881 210008631 /nfs/dbraw/zinc/00/86/31/210008631.db2.gz VQDCBKCACPHKRW-UHFFFAOYSA-N -1 3 358.398 0.221 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000264895633 210009772 /nfs/dbraw/zinc/00/97/72/210009772.db2.gz WFHRSELFPJSUIQ-LBPRGKRZSA-N -1 3 363.349 0.100 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000264896606 210009112 /nfs/dbraw/zinc/00/91/12/210009112.db2.gz WJKIGNMWRXIYSN-UHFFFAOYSA-N -1 3 360.370 0.272 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000332803230 215211356 /nfs/dbraw/zinc/21/13/56/215211356.db2.gz JRDRIBIQDOWDEI-NURSFMCSSA-N -1 3 371.484 0.588 10 0 FCAEHM Cc1nn(C)c(C)c1[C@H]1[C@H]([N-]S(=O)(=O)[C@@H]2CCO[C@@H]2C)CC(=O)N1C ZINC000333099424 215235271 /nfs/dbraw/zinc/23/52/71/215235271.db2.gz PRQOIWHZBNPTAG-BRXULGCHSA-N -1 3 370.475 0.406 10 0 FCAEHM CC1(C)Cc2ccc(C(=O)N3CCC4(CC3)NC(=O)NC4=O)c([O-])c2O1 ZINC000333095214 215236111 /nfs/dbraw/zinc/23/61/11/215236111.db2.gz UFQCZUMHGPJKPZ-UHFFFAOYSA-N -1 3 359.382 0.920 10 0 FCAEHM CCOC(=O)c1cn[n-]c1S(=O)(=O)N1CCO[C@]2(CCCOC2)C1 ZINC000285697042 213379381 /nfs/dbraw/zinc/37/93/81/213379381.db2.gz RKFVEIQQUXOEBL-CQSZACIVSA-N -1 3 359.404 0.157 10 0 FCAEHM CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CCO[C@]2(CCCOC2)C1 ZINC000285697042 213379383 /nfs/dbraw/zinc/37/93/83/213379383.db2.gz RKFVEIQQUXOEBL-CQSZACIVSA-N -1 3 359.404 0.157 10 0 FCAEHM C[C@H](CCS(C)(=O)=O)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000361256930 215386156 /nfs/dbraw/zinc/38/61/56/215386156.db2.gz FYIVJVAIXIGNCE-TZMCWYRMSA-N -1 3 368.455 0.936 10 0 FCAEHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](CO)C[C@H](O)C(C)(C)C)c1 ZINC000284628623 213184389 /nfs/dbraw/zinc/18/43/89/213184389.db2.gz KPEQKXNHMQNRRA-MNOVXSKESA-N -1 3 365.473 0.971 10 0 FCAEHM CN1CCO[C@@H]2CCN(C(=O)c3ccc([C@]4(C)NC(=O)[N-]C4=O)cc3)C[C@H]21 ZINC000284399642 213130333 /nfs/dbraw/zinc/13/03/33/213130333.db2.gz CBEXWPQVKXKKBG-CLCXKQKWSA-N -1 3 372.425 0.286 10 0 FCAEHM CO[C@@H]1CC[C@@H]2OCCN(C(=O)C[N-]S(=O)(=O)c3cccs3)[C@H]2C1 ZINC000366829762 216039376 /nfs/dbraw/zinc/03/93/76/216039376.db2.gz FHDNZZBASOEFCJ-AGIUHOORSA-N -1 3 374.484 0.821 10 0 FCAEHM C[C@@H]1[C@@H]([N-]S(=O)(=O)CCS(C)(=O)=O)CC(=O)N1Cc1ccccc1 ZINC000367006108 216063695 /nfs/dbraw/zinc/06/36/95/216063695.db2.gz YNXAXEXCJZDEKN-OCCSQVGLSA-N -1 3 374.484 0.140 10 0 FCAEHM COC(=O)C(C)(C)CS(=O)(=O)[N-][C@H]1CCCN(c2cccnc2)C1=O ZINC000367442856 216123449 /nfs/dbraw/zinc/12/34/49/216123449.db2.gz LSMNWHAMNUHDNR-ZDUSSCGKSA-N -1 3 369.443 0.696 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CC3(C2)CCCOC3)s1 ZINC000367879119 216174439 /nfs/dbraw/zinc/17/44/39/216174439.db2.gz QVUQICYVDMBXPY-UHFFFAOYSA-N -1 3 359.473 0.978 10 0 FCAEHM COC(=O)[C@@H]([N-]S(=O)(=O)C1CN(C(=O)c2ccccc2)C1)C1CC1 ZINC000367885646 216175540 /nfs/dbraw/zinc/17/55/40/216175540.db2.gz MLHGUVMZPJOSLU-AWEZNQCLSA-N -1 3 352.412 0.382 10 0 FCAEHM O=C(c1cnn(Cc2ccccc2)c1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000194994851 209331676 /nfs/dbraw/zinc/33/16/76/209331676.db2.gz ZMQMWFTZHYEINO-GOSISDBHSA-N -1 3 353.382 0.746 10 0 FCAEHM CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)C[C@@H]3NC(=O)[N-]C3=O)CC[C@@H]21 ZINC000368349428 216236887 /nfs/dbraw/zinc/23/68/87/216236887.db2.gz RQPPFGRKNBCDHW-SRVKXCTJSA-N -1 3 366.418 0.442 10 0 FCAEHM C[C@H](C(=O)NCCc1ccc(F)cc1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000192638263 209302229 /nfs/dbraw/zinc/30/22/29/209302229.db2.gz RIFJNKSGTOSMJA-KZULUSFZSA-N -1 3 362.405 0.547 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-]N2C(=O)NC3(CCCCC3)C2=O)C[C@@H](C)O1 ZINC000368912860 216317756 /nfs/dbraw/zinc/31/77/56/216317756.db2.gz FEGZCWUMLJUIMS-GHMZBOCLSA-N -1 3 360.436 0.100 10 0 FCAEHM C[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000277670584 212386903 /nfs/dbraw/zinc/38/69/03/212386903.db2.gz GCZYYOBKUZKKAO-NEPJUHHUSA-N -1 3 362.473 0.640 10 0 FCAEHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]C(C)(C)[C@@H](O)C(=O)OC ZINC000276876029 212300808 /nfs/dbraw/zinc/30/08/08/212300808.db2.gz BNXZDJGUCUXHRC-NSHDSACASA-N -1 3 363.363 0.203 10 0 FCAEHM COc1cc(CNC[C@H]2CC(C(N)=O)=NO2)cc(Br)c1[O-] ZINC000276495884 212243138 /nfs/dbraw/zinc/24/31/38/212243138.db2.gz QZAWPMRCEGQIII-MRVPVSSYSA-N -1 3 358.192 0.883 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)CCCCO)cc1F ZINC000276292232 212205925 /nfs/dbraw/zinc/20/59/25/212205925.db2.gz YSBAFZYCTUKSPM-UHFFFAOYSA-N -1 3 368.452 0.980 10 0 FCAEHM COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000276140890 212170950 /nfs/dbraw/zinc/17/09/50/212170950.db2.gz DXLJPRBUHUBSRI-SUNKGSAMSA-N -1 3 372.468 0.827 10 0 FCAEHM C[C@H]1OCC[C@H]1S(=O)(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000276122769 212166502 /nfs/dbraw/zinc/16/65/02/212166502.db2.gz ZCUVFKFJVFLIJL-IUODEOHRSA-N -1 3 354.428 0.657 10 0 FCAEHM CCO[C@@H]1C[C@]([N-]S(=O)(=O)c2cn(C)c(C)n2)(C(=O)OC)C1(C)C ZINC000275913333 212117968 /nfs/dbraw/zinc/11/79/68/212117968.db2.gz FBDRXIONAIZURM-ABAIWWIYSA-N -1 3 359.448 0.754 10 0 FCAEHM CC(C)[C@@H]([N-]S(=O)(=O)N1CCC[C@H]1C)c1nc(-c2nc[nH]n2)no1 ZINC000185087761 209172103 /nfs/dbraw/zinc/17/21/03/209172103.db2.gz POTSMVOBUKPUNB-NXEZZACHSA-N -1 3 355.424 0.871 10 0 FCAEHM CCCCOc1ccc(C(=O)N2CC(n3cc(C(N)=O)nn3)C2)c([O-])c1 ZINC000373715993 217049090 /nfs/dbraw/zinc/04/90/90/217049090.db2.gz WNEJXQDQSLRNIP-UHFFFAOYSA-N -1 3 359.386 0.959 10 0 FCAEHM Cc1ccc([O-])c(CN2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)n1 ZINC000374806919 217177393 /nfs/dbraw/zinc/17/73/93/217177393.db2.gz NZIDMZAXYZAGFW-CQSZACIVSA-N -1 3 355.460 0.722 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183042161 209141092 /nfs/dbraw/zinc/14/10/92/209141092.db2.gz GOAVUKPEPJKSAZ-UHFFFAOYSA-N -1 3 359.308 0.617 10 0 FCAEHM CCOC(=O)[C@@]1(Cc2ccccc2)CCCN1C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000375448336 217265604 /nfs/dbraw/zinc/26/56/04/217265604.db2.gz RHCIUMTXMPCEMA-LIRRHRJNSA-N -1 3 373.409 0.752 10 0 FCAEHM CCOC(=O)[C@@]1(Cc2ccccc2)CCCN1C(=O)CN1CC(=O)[N-]C1=O ZINC000375441776 217265940 /nfs/dbraw/zinc/26/59/40/217265940.db2.gz VSIXMSUCOSJIGE-IBGZPJMESA-N -1 3 373.409 0.705 10 0 FCAEHM COc1ccc(C(=O)[N-]C(=O)CN2CCC(OC)(OC)[C@@H](O)C2)cc1 ZINC000931637900 674124717 /nfs/dbraw/zinc/12/47/17/674124717.db2.gz ZGGVZUAEOZXWAQ-AWEZNQCLSA-N -1 3 352.387 0.007 10 0 FCAEHM COC(=O)c1ccccc1N1C(=O)C[C@@H](SC[C@@H](N)C(=O)[O-])C1=O ZINC000016900478 220195577 /nfs/dbraw/zinc/19/55/77/220195577.db2.gz PAMDNOZBTVPTAL-MWLCHTKSSA-N -1 3 352.368 0.250 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC(CC(F)F)C2)cn1C ZINC000425090445 247291050 /nfs/dbraw/zinc/29/10/50/247291050.db2.gz ZGTSHPNWVXBGEF-UHFFFAOYSA-N -1 3 350.391 0.511 10 0 FCAEHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N[C@@H]3CC[C@H]3O)c2)n1 ZINC000425817846 247393735 /nfs/dbraw/zinc/39/37/35/247393735.db2.gz WWOBLVJOISZJPH-ZIAGYGMSSA-N -1 3 356.382 0.990 10 0 FCAEHM COC(=O)C(C)(C)N1CCN(C(=O)CNC(=O)c2cccc([O-])c2)CC1 ZINC000428093727 247574483 /nfs/dbraw/zinc/57/44/83/247574483.db2.gz RIIWCQXMVXLFKN-UHFFFAOYSA-N -1 3 363.414 0.218 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)NCCCc2ccccn2)cn1C ZINC000435346895 247993670 /nfs/dbraw/zinc/99/36/70/247993670.db2.gz FIDDJRKZAOBNJW-UHFFFAOYSA-N -1 3 351.432 0.151 10 0 FCAEHM CCNC(=O)c1ccc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)nn1 ZINC000436866652 248053768 /nfs/dbraw/zinc/05/37/68/248053768.db2.gz ZJOLCFNIAVSWKL-UHFFFAOYSA-N -1 3 355.398 0.894 10 0 FCAEHM CC1(CNC(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)COC1 ZINC000441177073 248240225 /nfs/dbraw/zinc/24/02/25/248240225.db2.gz MLSUEKOCNMUSQU-UHFFFAOYSA-N -1 3 363.386 0.579 10 0 FCAEHM Cc1ccnc(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)n1 ZINC000441413150 248251420 /nfs/dbraw/zinc/25/14/20/248251420.db2.gz YFJYRUIIDSLYBI-UHFFFAOYSA-N -1 3 356.354 0.772 10 0 FCAEHM C[C@@H](CO)N(C)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000442593126 248292218 /nfs/dbraw/zinc/29/22/18/248292218.db2.gz ISZAXVKMRXLVMN-VIFPVBQESA-N -1 3 351.375 0.265 10 0 FCAEHM CN(CCCCO)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000442628227 248292609 /nfs/dbraw/zinc/29/26/09/248292609.db2.gz SECXSIVOOXOETR-UHFFFAOYSA-N -1 3 365.402 0.657 10 0 FCAEHM NC(=O)[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2cnccc2C(F)(F)F)O1 ZINC000442735696 248294988 /nfs/dbraw/zinc/29/49/88/248294988.db2.gz ZHMUZDLCCOSMFB-IONNQARKSA-N -1 3 353.322 0.412 10 0 FCAEHM COCCNC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)[C@@H]1CCO[C@H]1C ZINC000442755099 248295539 /nfs/dbraw/zinc/29/55/39/248295539.db2.gz BTSWUZANLZGNBU-CWRNSKLLSA-N -1 3 370.471 0.457 10 0 FCAEHM O=S(=O)([N-]C[C@H]1CCS(=O)(=O)C1)c1cnccc1C(F)(F)F ZINC000442912149 248299978 /nfs/dbraw/zinc/29/99/78/248299978.db2.gz LVAQVZUQEMMLGT-MRVPVSSYSA-N -1 3 358.363 0.813 10 0 FCAEHM NC(=O)c1cc(C[N-]S(=O)(=O)c2ccccc2Cn2ccnc2)on1 ZINC000443011465 248302864 /nfs/dbraw/zinc/30/28/64/248302864.db2.gz DXVUSBSFZDXSBJ-UHFFFAOYSA-N -1 3 361.383 0.497 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]CCCNC(=O)c2cccc(O)c2)c1 ZINC000443195124 248310795 /nfs/dbraw/zinc/31/07/95/248310795.db2.gz KHEAGFPPHIAIST-UHFFFAOYSA-N -1 3 352.416 0.707 10 0 FCAEHM Cc1ccc(CNC(=O)CN2CC(=O)[N-]C2=O)c(OC[C@@H]2CCOC2)c1 ZINC000446348266 248387175 /nfs/dbraw/zinc/38/71/75/248387175.db2.gz JLOHMDZHEDPINU-CYBMUJFWSA-N -1 3 361.398 0.578 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)N1CC[C@](O)(C(F)F)C1 ZINC000452670348 249326570 /nfs/dbraw/zinc/32/65/70/249326570.db2.gz OFMDJRRDZVJLJF-CYBMUJFWSA-N -1 3 352.334 0.333 10 0 FCAEHM CO[C@@H]1COCC[C@H]1CNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000452654332 249326711 /nfs/dbraw/zinc/32/67/11/249326711.db2.gz UTQFHSIUZCULDV-SGMGOOAPSA-N -1 3 374.434 0.660 10 0 FCAEHM C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)CN1CC(=O)[N-]C1=O ZINC000271461617 211405794 /nfs/dbraw/zinc/40/57/94/211405794.db2.gz RENJVWRUIIMWKL-MNOVXSKESA-N -1 3 354.407 0.395 10 0 FCAEHM COc1n[n-]c(NC(=O)c2ccc(OC)c(S(=O)(=O)NC3CC3)c2)n1 ZINC000271310175 211376825 /nfs/dbraw/zinc/37/68/25/211376825.db2.gz VHHBTGWTYULDPW-UHFFFAOYSA-N -1 3 367.387 0.515 10 0 FCAEHM COc1nnc(NC(=O)c2ccc(OC)c(S(=O)(=O)NC3CC3)c2)[n-]1 ZINC000271310175 211376818 /nfs/dbraw/zinc/37/68/18/211376818.db2.gz VHHBTGWTYULDPW-UHFFFAOYSA-N -1 3 367.387 0.515 10 0 FCAEHM COc1nc(NC(=O)c2ccc(OC)c(S(=O)(=O)NC3CC3)c2)n[n-]1 ZINC000271310175 211376823 /nfs/dbraw/zinc/37/68/23/211376823.db2.gz VHHBTGWTYULDPW-UHFFFAOYSA-N -1 3 367.387 0.515 10 0 FCAEHM CCOC(=O)[C@H](Cc1ccccc1)N(C(=O)C[C@@H]1NC(=O)[N-]C1=O)C1CC1 ZINC000271368817 211388210 /nfs/dbraw/zinc/38/82/10/211388210.db2.gz BJDXCSUTTYKUCN-GJZGRUSLSA-N -1 3 373.409 0.750 10 0 FCAEHM COc1nnc(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)[n-]1 ZINC000271295040 211374966 /nfs/dbraw/zinc/37/49/66/211374966.db2.gz RCXJJUBGMWDGMJ-UHFFFAOYSA-N -1 3 351.388 0.778 10 0 FCAEHM COc1nc(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)n[n-]1 ZINC000271295040 211374971 /nfs/dbraw/zinc/37/49/71/211374971.db2.gz RCXJJUBGMWDGMJ-UHFFFAOYSA-N -1 3 351.388 0.778 10 0 FCAEHM COc1n[n-]c(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)n1 ZINC000271295040 211374976 /nfs/dbraw/zinc/37/49/76/211374976.db2.gz RCXJJUBGMWDGMJ-UHFFFAOYSA-N -1 3 351.388 0.778 10 0 FCAEHM COc1nnc(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)[n-]1 ZINC000271301155 211374863 /nfs/dbraw/zinc/37/48/63/211374863.db2.gz SIIRPPTVGLOSDF-MRXNPFEDSA-N -1 3 356.342 0.145 10 0 FCAEHM COc1nc(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)n[n-]1 ZINC000271301155 211374868 /nfs/dbraw/zinc/37/48/68/211374868.db2.gz SIIRPPTVGLOSDF-MRXNPFEDSA-N -1 3 356.342 0.145 10 0 FCAEHM COc1n[n-]c(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)n1 ZINC000271301155 211374870 /nfs/dbraw/zinc/37/48/70/211374870.db2.gz SIIRPPTVGLOSDF-MRXNPFEDSA-N -1 3 356.342 0.145 10 0 FCAEHM Cc1ccc([O-])c(CN2CCN(S(=O)(=O)CCOC(C)C)CC2)n1 ZINC000271184690 211352946 /nfs/dbraw/zinc/35/29/46/211352946.db2.gz DKPLCTNHBJBMHQ-UHFFFAOYSA-N -1 3 357.476 0.968 10 0 FCAEHM COC(=O)c1ccc(N2CCN(C(=O)c3cccc(OC)c3[O-])CC2)nn1 ZINC000271057699 211325080 /nfs/dbraw/zinc/32/50/80/211325080.db2.gz VCJNWZIOXFYHKG-UHFFFAOYSA-N -1 3 372.381 0.940 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000271123943 211339893 /nfs/dbraw/zinc/33/98/93/211339893.db2.gz OORCTSRLNKMXBR-QMMMGPOBSA-N -1 3 368.752 0.252 10 0 FCAEHM Cc1noc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)n1 ZINC000270877493 211290224 /nfs/dbraw/zinc/29/02/24/211290224.db2.gz CAZIOBPUHZVVTK-UHFFFAOYSA-N -1 3 374.806 0.417 10 0 FCAEHM CCNC(=O)N1CC[C@H]([N-]S(=O)(=O)c2ccc(F)cc2C(=O)OC)C1 ZINC000270277285 211180158 /nfs/dbraw/zinc/18/01/58/211180158.db2.gz RNGHIWGSRJFMPI-NSHDSACASA-N -1 3 373.406 0.694 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000470813956 250065575 /nfs/dbraw/zinc/06/55/75/250065575.db2.gz YGDRXBFIEUKHJJ-CABZTGNLSA-N -1 3 359.386 0.314 10 0 FCAEHM O=C(NCc1ncccc1[O-])NC[C@@]1(N2CCOCC2)CCSC1 ZINC000471734268 250117286 /nfs/dbraw/zinc/11/72/86/250117286.db2.gz GBBFBFJWXODSLL-INIZCTEOSA-N -1 3 352.460 0.794 10 0 FCAEHM O=C(CNC(=O)c1cccc([O-])c1)N1CCCC[C@H]1CN1CCOCC1 ZINC000471389705 250099743 /nfs/dbraw/zinc/09/97/43/250099743.db2.gz CGBDAYYEJHMZIL-INIZCTEOSA-N -1 3 361.442 0.835 10 0 FCAEHM CN(CCCCO)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000472209730 250139145 /nfs/dbraw/zinc/13/91/45/250139145.db2.gz XCFSFUMAWFWZLO-UHFFFAOYSA-N -1 3 354.425 0.590 10 0 FCAEHM Cc1nnnn1-c1cccc(NC(=O)C(=O)NCc2ncccc2[O-])c1 ZINC000473064660 250197153 /nfs/dbraw/zinc/19/71/53/250197153.db2.gz BXJGKRVMFIFRPT-UHFFFAOYSA-N -1 3 353.342 0.326 10 0 FCAEHM C[C@@]1(c2ccc(C(=O)NC3CCC(C(N)=O)CC3)cc2)NC(=O)[N-]C1=O ZINC000480877401 250290568 /nfs/dbraw/zinc/29/05/68/250290568.db2.gz VOQCYCKUSIWGIX-BBFSEWIASA-N -1 3 358.398 0.515 10 0 FCAEHM COC(=O)[C@@H]1CCN(C(=O)Nc2ccc(C[C@H]3NC(=O)[N-]C3=O)cc2)C1 ZINC000480951762 250301032 /nfs/dbraw/zinc/30/10/32/250301032.db2.gz OCNBYSRQBXTQCU-DGCLKSJQSA-N -1 3 360.370 0.464 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC[C@H](C)[S@@](C)=O)s1 ZINC000481074964 250313832 /nfs/dbraw/zinc/31/38/32/250313832.db2.gz FBHVPAAMDXMMJZ-GWNMQOMSSA-N -1 3 352.503 0.820 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@@H](CO)[C@@H]1CCOC1 ZINC000481611087 250345541 /nfs/dbraw/zinc/34/55/41/250345541.db2.gz RLRZRROXFYJXIW-NEPJUHHUSA-N -1 3 363.457 0.013 10 0 FCAEHM CNS(=O)(=O)c1cccc(C(=O)NCc2nnc(C(F)(F)F)[n-]2)c1 ZINC000482239555 250383037 /nfs/dbraw/zinc/38/30/37/250383037.db2.gz DTPFHCFEAUAMJD-UHFFFAOYSA-N -1 3 363.321 0.662 10 0 FCAEHM CNS(=O)(=O)c1cccc(C(=O)NCc2n[n-]c(C(F)(F)F)n2)c1 ZINC000482239555 250383041 /nfs/dbraw/zinc/38/30/41/250383041.db2.gz DTPFHCFEAUAMJD-UHFFFAOYSA-N -1 3 363.321 0.662 10 0 FCAEHM CNS(=O)(=O)c1cccc(C(=O)NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000482239555 250383045 /nfs/dbraw/zinc/38/30/45/250383045.db2.gz DTPFHCFEAUAMJD-UHFFFAOYSA-N -1 3 363.321 0.662 10 0 FCAEHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]C[C@H](O)C(F)(F)F)cc1F ZINC000269714563 211053876 /nfs/dbraw/zinc/05/38/76/211053876.db2.gz OHMQHTMGDVLYBG-VIFPVBQESA-N -1 3 365.326 0.431 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-]CC2(C)COC2)c(C(=O)OC)s1 ZINC000269674417 211040171 /nfs/dbraw/zinc/04/01/71/211040171.db2.gz QCNLGXFFHMACMV-UHFFFAOYSA-N -1 3 363.413 0.636 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](O)Cc2ccccc2)c(C)o1 ZINC000081779436 208101560 /nfs/dbraw/zinc/10/15/60/208101560.db2.gz FZRMSDOWESMGOT-ZDUSSCGKSA-N -1 3 352.412 0.830 10 0 FCAEHM CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000088199678 208115967 /nfs/dbraw/zinc/11/59/67/208115967.db2.gz CMOAVLUAGRNARE-NSHDSACASA-N -1 3 367.431 0.915 10 0 FCAEHM CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000102889438 208173066 /nfs/dbraw/zinc/17/30/66/208173066.db2.gz WKVQFVJCJPNQJS-SSDOTTSWSA-N -1 3 355.342 0.966 10 0 FCAEHM CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000102889438 208173071 /nfs/dbraw/zinc/17/30/71/208173071.db2.gz WKVQFVJCJPNQJS-SSDOTTSWSA-N -1 3 355.342 0.966 10 0 FCAEHM O=C(NCCCN1CCOCC1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000116950993 208340867 /nfs/dbraw/zinc/34/08/67/208340867.db2.gz WWSXJTSVBJCVJV-INIZCTEOSA-N -1 3 361.442 0.835 10 0 FCAEHM CC[C@@H]1CN(C(=O)CCc2c(C)nc(C)[n-]c2=O)CCN1CCOC ZINC000117308927 208341251 /nfs/dbraw/zinc/34/12/51/208341251.db2.gz CCLUFOGLGWFLLZ-OAHLLOKOSA-N -1 3 350.463 0.889 10 0 FCAEHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]CCn2cc(C)cn2)s1 ZINC000117927431 208347548 /nfs/dbraw/zinc/34/75/48/208347548.db2.gz RPDJVRQKTVOZML-UHFFFAOYSA-N -1 3 356.473 0.910 10 0 FCAEHM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N2CCN(CCN(C)C)CC2)c1 ZINC000114676486 208316196 /nfs/dbraw/zinc/31/61/96/208316196.db2.gz MOJNCXUZCAFCBT-UHFFFAOYSA-N -1 3 368.503 0.686 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)C2CCN(S(C)(=O)=O)CC2)n[n-]1 ZINC000119663178 208364645 /nfs/dbraw/zinc/36/46/45/208364645.db2.gz MQKYCADXOMWZEQ-UHFFFAOYSA-N -1 3 352.420 0.420 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)C2CCN(S(C)(=O)=O)CC2)[n-]n1 ZINC000119663178 208364654 /nfs/dbraw/zinc/36/46/54/208364654.db2.gz MQKYCADXOMWZEQ-UHFFFAOYSA-N -1 3 352.420 0.420 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCNC(=O)[C@H]1CC ZINC000266678109 210379690 /nfs/dbraw/zinc/37/96/90/210379690.db2.gz SOBZHDCIQHBJMM-SNVBAGLBSA-N -1 3 367.427 0.909 10 0 FCAEHM C[C@H](CNC(=O)CN1CC(=O)[N-]C1=O)Oc1ccc(Br)cc1 ZINC000266334185 210323716 /nfs/dbraw/zinc/32/37/16/210323716.db2.gz YIQQXEDVBZEZLK-SECBINFHSA-N -1 3 370.203 0.884 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2Cn2ccnc2C)o1 ZINC000177165451 209018290 /nfs/dbraw/zinc/01/82/90/209018290.db2.gz LBISOLDHBANRMT-LBPRGKRZSA-N -1 3 352.416 0.997 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000178554620 209051975 /nfs/dbraw/zinc/05/19/75/209051975.db2.gz KEAVLCHBUDTVJZ-DOMZBBRYSA-N -1 3 352.437 0.801 10 0 FCAEHM Cc1cc(=O)[n-]c(NCCNC(=O)C(C)(C)NC(=O)c2cccs2)n1 ZINC000055109380 221058143 /nfs/dbraw/zinc/05/81/43/221058143.db2.gz PNZKDNJNIYWZLL-UHFFFAOYSA-N -1 3 363.443 0.877 10 0 FCAEHM CS(=O)(=O)NC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000409788464 533405161 /nfs/dbraw/zinc/40/51/61/533405161.db2.gz DQBUOANWDVKVOD-TVQRCGJNSA-N -1 3 368.427 0.961 10 0 FCAEHM Cc1ncc(S(=O)(=O)[N-][C@H]2CCC[C@H]2CNS(C)(=O)=O)s1 ZINC000409801651 230046536 /nfs/dbraw/zinc/04/65/36/230046536.db2.gz PXXXMUQDNUOBDK-UWVGGRQHSA-N -1 3 353.491 0.448 10 0 FCAEHM NC(=O)c1nn[n-]c1NC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000410855101 230275202 /nfs/dbraw/zinc/27/52/02/230275202.db2.gz BBGJCDIWKPEOSL-NSHDSACASA-N -1 3 374.376 0.463 10 0 FCAEHM NC(=O)c1[n-]nnc1NC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000410855101 230275206 /nfs/dbraw/zinc/27/52/06/230275206.db2.gz BBGJCDIWKPEOSL-NSHDSACASA-N -1 3 374.376 0.463 10 0 FCAEHM NC(=O)c1n[n-]nc1NC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000410855101 230275212 /nfs/dbraw/zinc/27/52/12/230275212.db2.gz BBGJCDIWKPEOSL-NSHDSACASA-N -1 3 374.376 0.463 10 0 FCAEHM Cc1cc(C(=O)[N-]c2ncn(C(C)(C)C)n2)nc2c1c(=O)n(C)c(=O)n2C ZINC000544104934 484215775 /nfs/dbraw/zinc/21/57/75/484215775.db2.gz IWMMGDFBZWDTJO-UHFFFAOYSA-N -1 3 371.401 0.539 10 0 FCAEHM Cc1cn2c(n1)CN(C(=O)Cn1cc(Br)c(=O)[n-]c1=O)CC2 ZINC000363703444 488876157 /nfs/dbraw/zinc/87/61/57/488876157.db2.gz UVEYDDWZLTWRFS-UHFFFAOYSA-N -1 3 368.191 0.259 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]CCCS(C)(=O)=O ZINC000289257327 489052993 /nfs/dbraw/zinc/05/29/93/489052993.db2.gz BOOGFRGKNYASRU-UHFFFAOYSA-N -1 3 353.418 0.396 10 0 FCAEHM O=C1[N-]C(=O)[C@@]2(CCCN(S(=O)(=O)C3=Cc4ccccc4OC3)C2)N1 ZINC000278725799 488892697 /nfs/dbraw/zinc/89/26/97/488892697.db2.gz LOUVYPZNZQIPGJ-INIZCTEOSA-N -1 3 363.395 0.424 10 0 FCAEHM COC(=O)c1cccc(NC(=O)CN2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000279123740 488918724 /nfs/dbraw/zinc/91/87/24/488918724.db2.gz VBBRBBFTDLRCQJ-KRWDZBQOSA-N -1 3 360.370 0.086 10 0 FCAEHM CC(=O)c1ccccc1NC(=O)[C@@H](C)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279120748 488918772 /nfs/dbraw/zinc/91/87/72/488918772.db2.gz USSGUDMFMQCGCV-ADLMAVQZSA-N -1 3 358.398 0.890 10 0 FCAEHM Cc1cccc(NC(=O)NC(=O)CN2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1C ZINC000279091175 488916525 /nfs/dbraw/zinc/91/65/25/488916525.db2.gz PGXDDHRGQNBNAA-GOSISDBHSA-N -1 3 373.413 0.626 10 0 FCAEHM CC(C)(C)c1nnc(NC(=O)CN2CCC[C@]3(C2)NC(=O)[N-]C3=O)s1 ZINC000279115780 488918028 /nfs/dbraw/zinc/91/80/28/488918028.db2.gz UAUWUBDLHMMWLR-OAHLLOKOSA-N -1 3 366.447 0.448 10 0 FCAEHM O=C(c1cccnc1OCC(F)F)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279040531 488912593 /nfs/dbraw/zinc/91/25/93/488912593.db2.gz ABIHGXDMUNHVOK-OAHLLOKOSA-N -1 3 354.313 0.540 10 0 FCAEHM Cn1nccc1N1CCC[C@@H]([N-]S(=O)(=O)CC[C@@H]2CCCO2)C1=O ZINC000328612902 488923459 /nfs/dbraw/zinc/92/34/59/488923459.db2.gz QAAFYVJBBZRDJN-QWHCGFSZSA-N -1 3 356.448 0.404 10 0 FCAEHM CC(=O)c1ccccc1NC(=O)[C@@H](C)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279120760 488918836 /nfs/dbraw/zinc/91/88/36/488918836.db2.gz USSGUDMFMQCGCV-ZMZPIMSZSA-N -1 3 358.398 0.890 10 0 FCAEHM CC(C)(C)C(=O)N1CSC[C@H]1C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279343798 488933837 /nfs/dbraw/zinc/93/38/37/488933837.db2.gz BYFNEOCYJPZKEZ-MGPLVRAMSA-N -1 3 368.459 0.135 10 0 FCAEHM O=C(Nc1cccc(C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1)NC1CC1 ZINC000279345092 488934038 /nfs/dbraw/zinc/93/40/38/488934038.db2.gz BZKQOOZNIGATDG-SFHVURJKSA-N -1 3 371.397 0.785 10 0 FCAEHM CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279343809 488934131 /nfs/dbraw/zinc/93/41/31/488934131.db2.gz BYFNEOCYJPZKEZ-QLJPJBMISA-N -1 3 368.459 0.135 10 0 FCAEHM O=C(c1cccc(OCC(F)(F)F)n1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279409777 488939797 /nfs/dbraw/zinc/93/97/97/488939797.db2.gz HKUBEIYPWOPRIM-CQSZACIVSA-N -1 3 372.303 0.837 10 0 FCAEHM O=C(c1cccc(OCC(F)F)n1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279380097 488937708 /nfs/dbraw/zinc/93/77/08/488937708.db2.gz FLAPIFPYCIBXNB-OAHLLOKOSA-N -1 3 354.313 0.540 10 0 FCAEHM COCCCOc1ccc(C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000279449506 488943517 /nfs/dbraw/zinc/94/35/17/488943517.db2.gz KKLOVNIUIDRLJJ-SFHVURJKSA-N -1 3 361.398 0.916 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000328910873 488950099 /nfs/dbraw/zinc/95/00/99/488950099.db2.gz FXALAPSMAUVEJN-XQQFMLRXSA-N -1 3 373.500 0.346 10 0 FCAEHM O=C(Cc1cccc(N2CCCC2=O)c1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279545213 488951602 /nfs/dbraw/zinc/95/16/02/488951602.db2.gz RACJVWYKHHINLM-LJQANCHMSA-N -1 3 370.409 0.557 10 0 FCAEHM COc1ccc(C(C)=O)cc1CC(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279586340 488954542 /nfs/dbraw/zinc/95/45/42/488954542.db2.gz USIHGTUYRABPNJ-SFHVURJKSA-N -1 3 359.382 0.641 10 0 FCAEHM O=C(c1cccnc1N1CCCCC1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279550955 488951405 /nfs/dbraw/zinc/95/14/05/488951405.db2.gz RJBNBCLWQSAJKU-SFHVURJKSA-N -1 3 357.414 0.886 10 0 FCAEHM C[C@H](C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O)n1nnc(-c2ccccc2)n1 ZINC000279652327 488959303 /nfs/dbraw/zinc/95/93/03/488959303.db2.gz ZZMLOWZTERGUOY-DIFFPNOSSA-N -1 3 369.385 0.102 10 0 FCAEHM CCOCCS(=O)(=O)[N-]Cc1nc(-c2ccn3cncc3c2)no1 ZINC000279655912 488959953 /nfs/dbraw/zinc/95/99/53/488959953.db2.gz XEWCWDKLCHNFIC-UHFFFAOYSA-N -1 3 351.388 0.840 10 0 FCAEHM CNC(=O)[C@H]1CCCCN1C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000033210783 487793763 /nfs/dbraw/zinc/79/37/63/487793763.db2.gz ZPOAYRGUETYPCE-WCQYABFASA-N -1 3 371.434 0.620 10 0 FCAEHM COc1ccc(CNC(=O)CC[C@@H]2NC(=O)[N-]C2=O)cc1OC(F)F ZINC000042058321 487855548 /nfs/dbraw/zinc/85/55/48/487855548.db2.gz JSXLPQIKABUPHF-VIFPVBQESA-N -1 3 357.313 0.901 10 0 FCAEHM COC(=O)CCNC(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000047650192 488041657 /nfs/dbraw/zinc/04/16/57/488041657.db2.gz WTUVAMXQTDWZMM-UHFFFAOYSA-N -1 3 350.343 0.313 10 0 FCAEHM COc1cc[n-]c(=NNC(=O)[C@H]2CCCN2C(=O)c2ccccc2O)n1 ZINC000052582021 488172879 /nfs/dbraw/zinc/17/28/79/488172879.db2.gz MFFSDRFVMVNUSV-GFCCVEGCSA-N -1 3 357.370 0.939 10 0 FCAEHM COC(=O)CC1(CS(=O)(=O)[N-][C@@H]2COc3ccccc3[C@@H]2O)CC1 ZINC000288301378 488967919 /nfs/dbraw/zinc/96/79/19/488967919.db2.gz DEUXYLFEUWAUNC-DOMZBBRYSA-N -1 3 355.412 0.744 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCC(=O)NCc1ccco1 ZINC000056201865 488253959 /nfs/dbraw/zinc/25/39/59/488253959.db2.gz RUHHGYQTBZELLI-JTQLQIEISA-N -1 3 371.440 0.441 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N(C)CC(=O)NC(C)(C)C ZINC000056260520 488254523 /nfs/dbraw/zinc/25/45/23/488254523.db2.gz WNZBSJIXWFCQCB-JTQLQIEISA-N -1 3 361.489 0.788 10 0 FCAEHM CN(Cc1cccc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)c1)C(=O)C(F)(F)F ZINC000056991382 488263596 /nfs/dbraw/zinc/26/35/96/488263596.db2.gz MTNOXLHSHJYAGE-JTQLQIEISA-N -1 3 372.303 0.744 10 0 FCAEHM O=C(CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])NCC(F)(F)F ZINC000057010025 488263891 /nfs/dbraw/zinc/26/38/91/488263891.db2.gz IMZKBDGBANQEJV-LLVKDONJSA-N -1 3 373.331 0.792 10 0 FCAEHM CCN(CC)C(=O)COc1cccc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)c1 ZINC000057077408 488265254 /nfs/dbraw/zinc/26/52/54/488265254.db2.gz HBEGCNWKKUNMBX-ZDUSSCGKSA-N -1 3 362.386 0.470 10 0 FCAEHM C[C@H](Cn1cncn1)NC(=O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000068087192 488360413 /nfs/dbraw/zinc/36/04/13/488360413.db2.gz GFZAEFHLGKJVEY-LLVKDONJSA-N -1 3 355.395 0.291 10 0 FCAEHM CS(=O)(=O)N1CCCC[C@H]1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000068961840 488370198 /nfs/dbraw/zinc/37/01/98/488370198.db2.gz ZGLZJSVCTCZGOG-ZDUSSCGKSA-N -1 3 364.431 0.297 10 0 FCAEHM CS(=O)(=O)N1CCCC[C@H]1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000068961840 488370199 /nfs/dbraw/zinc/37/01/99/488370199.db2.gz ZGLZJSVCTCZGOG-ZDUSSCGKSA-N -1 3 364.431 0.297 10 0 FCAEHM COCc1ncc(CN2CC3(C[C@H]2C(=O)[O-])CCN(C(C)=O)CC3)cn1 ZINC000072434960 488380896 /nfs/dbraw/zinc/38/08/96/488380896.db2.gz UIXVEQGWKIQGRJ-HNNXBMFYSA-N -1 3 362.430 0.911 10 0 FCAEHM COc1cc(=NC(=O)NCc2cc(Br)cnc2N)[n-]n1C ZINC000554328506 491194317 /nfs/dbraw/zinc/19/43/17/491194317.db2.gz MQVTTWKKTKTEGI-UHFFFAOYSA-N -1 3 355.196 0.912 10 0 FCAEHM Cc1cc(S(=O)(=O)[N-]CC(=O)N2CCOCC2)c(Cl)cc1F ZINC000183403881 488392202 /nfs/dbraw/zinc/39/22/02/488392202.db2.gz INOZNXHCPKCJNB-UHFFFAOYSA-N -1 3 350.799 0.925 10 0 FCAEHM O=C(CNC(=O)c1ccc([O-])cc1)NCCCc1nnc2ccccn21 ZINC000080090245 488433492 /nfs/dbraw/zinc/43/34/92/488433492.db2.gz IYZAVAMLCOAJEO-UHFFFAOYSA-N -1 3 353.382 0.914 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]Cc2ccc(CS(C)(=O)=O)cc2)c1 ZINC000080728036 488436895 /nfs/dbraw/zinc/43/68/95/488436895.db2.gz VHFNLZSFMVBPIL-UHFFFAOYSA-N -1 3 357.457 0.926 10 0 FCAEHM CN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)C[C@@H](O)CN1CCOCC1 ZINC000083245488 488447420 /nfs/dbraw/zinc/44/74/20/488447420.db2.gz FGNLVLRKUPNNRF-CYBMUJFWSA-N -1 3 372.425 0.794 10 0 FCAEHM O=C(CNC(=O)c1cccnc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000268892670 488455532 /nfs/dbraw/zinc/45/55/32/488455532.db2.gz JPPFFMAGSZXAME-UHFFFAOYSA-N -1 3 368.393 0.502 10 0 FCAEHM C[C@]1(c2cccc(C(=O)NCCCCN3CCOCC3)c2)NC(=O)[N-]C1=O ZINC000269129157 488471884 /nfs/dbraw/zinc/47/18/84/488471884.db2.gz GCQHDFSISHLXSK-LJQANCHMSA-N -1 3 374.441 0.583 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@H]2CCCN(c3ncccn3)C2)nc1Cl ZINC000269296962 488488315 /nfs/dbraw/zinc/48/83/15/488488315.db2.gz PZJHHTYVDFHQCK-JTQLQIEISA-N -1 3 356.839 0.811 10 0 FCAEHM CCN1CCN(C[C@@H](C)CNC(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000097094528 488492319 /nfs/dbraw/zinc/49/23/19/488492319.db2.gz OAPVOIAOHRYUQA-AWEZNQCLSA-N -1 3 357.458 0.927 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)nc1=N ZINC000569980565 491207699 /nfs/dbraw/zinc/20/76/99/491207699.db2.gz GIRCJRCENUHRBS-OCCSQVGLSA-N -1 3 354.414 0.944 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@H](CO)c1ccc(Br)cc1 ZINC000271570273 488527135 /nfs/dbraw/zinc/52/71/35/488527135.db2.gz ONHKGQDTDKKEKP-VHSXEESVSA-N -1 3 356.176 0.197 10 0 FCAEHM CN(C)c1ncc(NC(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)[N-]C2=O)cn1 ZINC000554487473 491205294 /nfs/dbraw/zinc/20/52/94/491205294.db2.gz SNGSHMJLVOKSQW-BZNIZROVSA-N -1 3 361.406 0.527 10 0 FCAEHM CNS(=O)(=O)c1cccc(C(=O)Nc2cc(-c3nccn3C)[n-]n2)c1 ZINC000119833111 488559172 /nfs/dbraw/zinc/55/91/72/488559172.db2.gz LFMYKMHZPGOZOJ-UHFFFAOYSA-N -1 3 360.399 0.971 10 0 FCAEHM CNS(=O)(=O)c1cccc(C(=O)Nc2cc(-c3nccn3C)n[n-]2)c1 ZINC000119833111 488559173 /nfs/dbraw/zinc/55/91/73/488559173.db2.gz LFMYKMHZPGOZOJ-UHFFFAOYSA-N -1 3 360.399 0.971 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCOc2ccccc21 ZINC000125717318 488603369 /nfs/dbraw/zinc/60/33/69/488603369.db2.gz CJJQFXFMQDSHLJ-UHFFFAOYSA-N -1 3 366.171 0.725 10 0 FCAEHM COCCN(CCOC)C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000263653247 488616136 /nfs/dbraw/zinc/61/61/36/488616136.db2.gz FGTGDXFPKXPCDV-LBPRGKRZSA-N -1 3 362.423 0.614 10 0 FCAEHM O=C([N-]N1CCCNC1=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000272956476 488620290 /nfs/dbraw/zinc/62/02/90/488620290.db2.gz PBLDFJRKLGPKOF-UHFFFAOYSA-N -1 3 369.175 0.840 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]CCNC(=O)C2CC2)c(Cl)c1 ZINC000263759152 488625025 /nfs/dbraw/zinc/62/50/25/488625025.db2.gz YMOCLOGYRIFWSL-UHFFFAOYSA-N -1 3 360.819 0.931 10 0 FCAEHM CCc1ccc(CN2CCN(C(=O)CC[C@H]3NC(=O)[N-]C3=O)CC2)s1 ZINC000128617483 488625263 /nfs/dbraw/zinc/62/52/63/488625263.db2.gz UNWWTKHHQKXJTD-CQSZACIVSA-N -1 3 364.471 0.943 10 0 FCAEHM COCc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000129496196 488631373 /nfs/dbraw/zinc/63/13/73/488631373.db2.gz UIZUGFPNQHJFCM-VIFPVBQESA-N -1 3 374.854 0.933 10 0 FCAEHM COC(=O)[C@H]1CCCN(C(=O)CC[N-]S(=O)(=O)c2cccs2)C1 ZINC000264096639 488647822 /nfs/dbraw/zinc/64/78/22/488647822.db2.gz OLXPXZVCBYFUEZ-NSHDSACASA-N -1 3 360.457 0.828 10 0 FCAEHM CC1(CO)CN(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000563040273 491210232 /nfs/dbraw/zinc/21/02/32/491210232.db2.gz ITEHPBOBUTYSJJ-UHFFFAOYSA-N -1 3 367.880 0.704 10 0 FCAEHM Cn1cc([N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)cc(Cl)c1=O ZINC000133001688 488656766 /nfs/dbraw/zinc/65/67/66/488656766.db2.gz XXTDGSZKWANGLM-SNVBAGLBSA-N -1 3 358.807 0.997 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000133075914 488657426 /nfs/dbraw/zinc/65/74/26/488657426.db2.gz NUPFTCBKPAPLOX-GHMZBOCLSA-N -1 3 357.414 0.913 10 0 FCAEHM CC(C)N(CCc1nccs1)C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000133966220 488663175 /nfs/dbraw/zinc/66/31/75/488663175.db2.gz OURPSUKRZCIWMH-UHFFFAOYSA-N -1 3 371.488 0.635 10 0 FCAEHM C[C@H](CCNC(=O)CC[N-]S(=O)(=O)c1ccccc1F)[S@](C)=O ZINC000134880971 488669740 /nfs/dbraw/zinc/66/97/40/488669740.db2.gz UEJJXEMGQMZSLQ-RKFFSXRUSA-N -1 3 364.464 0.767 10 0 FCAEHM O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)[N-]C1=NCCS1 ZINC000144634171 488692152 /nfs/dbraw/zinc/69/21/52/488692152.db2.gz SHHBDHSSNQLSDJ-AWEZNQCLSA-N -1 3 358.423 0.681 10 0 FCAEHM COc1ccc([C@@H](CNC(=O)CN2CC(=O)[N-]C2=O)N2CCCCC2)cc1 ZINC000264708173 488701244 /nfs/dbraw/zinc/70/12/44/488701244.db2.gz OBIRBIWYRFWDNH-MRXNPFEDSA-N -1 3 374.441 0.890 10 0 FCAEHM COc1ccc(NC(=O)CN2CC(=O)[N-]C2=O)cc1N1CCCCC1=O ZINC000264722009 488702989 /nfs/dbraw/zinc/70/29/89/488702989.db2.gz PNSOZHZCNNLCSD-UHFFFAOYSA-N -1 3 360.370 0.702 10 0 FCAEHM CN1CC[C@H](NC(=O)CN2CC(=O)[N-]C2=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152410221 488717619 /nfs/dbraw/zinc/71/76/19/488717619.db2.gz AVBJQKOKXLLQCI-WFASDCNBSA-N -1 3 368.796 0.892 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N1CCO[C@]2(CCOC2)C1 ZINC000274693467 488727792 /nfs/dbraw/zinc/72/77/92/488727792.db2.gz VOODJMQWDHOZCS-GOSISDBHSA-N -1 3 359.382 0.098 10 0 FCAEHM CCCn1c(=O)[n-]c(=O)c2c(C(=O)N3CC(CO)C3)cc(C3CC3)nc21 ZINC000274756829 488732339 /nfs/dbraw/zinc/73/23/39/488732339.db2.gz IWDDMQMMRWMPJX-UHFFFAOYSA-N -1 3 358.398 0.849 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]Cc2cccc(N3CCOCC3)n2)cn1C ZINC000274781754 488733556 /nfs/dbraw/zinc/73/35/56/488733556.db2.gz ZRFIBZRQSFCHLZ-UHFFFAOYSA-N -1 3 351.432 0.439 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000266923076 488744427 /nfs/dbraw/zinc/74/44/27/488744427.db2.gz PZDQAAOANCVKMF-AWEZNQCLSA-N -1 3 358.398 0.349 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@]1(CCO)CCOC1 ZINC000278033041 488797279 /nfs/dbraw/zinc/79/72/79/488797279.db2.gz HKUMXVPBBWEQOR-NHYWBVRUSA-N -1 3 360.407 0.150 10 0 FCAEHM C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCN1C ZINC000267593711 488801697 /nfs/dbraw/zinc/80/16/97/488801697.db2.gz BGWBTHUDBHZBTE-ZJUUUORDSA-N -1 3 367.431 0.539 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]CCNc1cnccn1 ZINC000570128707 491218849 /nfs/dbraw/zinc/21/88/49/491218849.db2.gz PETAAUQIGUUIOT-UHFFFAOYSA-N -1 3 354.388 0.863 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000267939705 488830219 /nfs/dbraw/zinc/83/02/19/488830219.db2.gz HKWJHTGNDCYPLX-QWRGUYRKSA-N -1 3 369.418 0.372 10 0 FCAEHM C[C@@H](NS(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C)C1CCCC1 ZINC000172165007 488830805 /nfs/dbraw/zinc/83/08/05/488830805.db2.gz KDNBNUMKICSYPG-SECBINFHSA-N -1 3 352.416 0.479 10 0 FCAEHM COc1cc(OC)cc(OCCCN(C)C(=O)CN2CC(=O)[N-]C2=O)c1 ZINC000267965802 488831109 /nfs/dbraw/zinc/83/11/09/488831109.db2.gz MJPCZLBHCFHDOC-UHFFFAOYSA-N -1 3 365.386 0.483 10 0 FCAEHM Cc1cc(I)cnc1NC(=O)CN1CC(=O)[N-]C1=O ZINC000175763508 488855525 /nfs/dbraw/zinc/85/55/25/488855525.db2.gz LVXHZPVWUVUKHJ-UHFFFAOYSA-N -1 3 374.138 0.485 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC(F)(F)C[C@H]1CO ZINC000364604750 488977080 /nfs/dbraw/zinc/97/70/80/488977080.db2.gz VKDDFQHJEOHTJV-BDAKNGLRSA-N -1 3 354.400 0.643 10 0 FCAEHM CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000364721793 488991551 /nfs/dbraw/zinc/99/15/51/488991551.db2.gz MIHZQOKEAJIHRE-WOPDTQHZSA-N -1 3 366.418 0.585 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CC[C@](C)(C(N)=O)C1 ZINC000280412974 489005612 /nfs/dbraw/zinc/00/56/12/489005612.db2.gz PWCVDYATWYCEBM-INIZCTEOSA-N -1 3 367.427 0.896 10 0 FCAEHM COC(=O)CCCO[N-]C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000288718221 489008661 /nfs/dbraw/zinc/00/86/61/489008661.db2.gz GARYRSQMSNUYMM-UHFFFAOYSA-N -1 3 355.395 0.222 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000570252432 491227691 /nfs/dbraw/zinc/22/76/91/491227691.db2.gz ZYZJVRHBWGPVNU-UONOGXRCSA-N -1 3 371.459 0.845 10 0 FCAEHM COc1nc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)n[n-]1 ZINC000364982154 489025754 /nfs/dbraw/zinc/02/57/54/489025754.db2.gz OLSUCHKDMYARON-NEPJUHHUSA-N -1 3 361.358 0.524 10 0 FCAEHM COc1nnc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)[n-]1 ZINC000364982154 489025757 /nfs/dbraw/zinc/02/57/57/489025757.db2.gz OLSUCHKDMYARON-NEPJUHHUSA-N -1 3 361.358 0.524 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)n1 ZINC000364982154 489025760 /nfs/dbraw/zinc/02/57/60/489025760.db2.gz OLSUCHKDMYARON-NEPJUHHUSA-N -1 3 361.358 0.524 10 0 FCAEHM CC(=O)c1cccc(OC[C@@H](O)CN2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000289159295 489045987 /nfs/dbraw/zinc/04/59/87/489045987.db2.gz DNKXZOCUWSLJCO-CABCVRRESA-N -1 3 360.414 0.920 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@@H](C)CN1CCCC1=O ZINC000289303631 489057208 /nfs/dbraw/zinc/05/72/08/489057208.db2.gz IWUHFPIROVJSCM-VIFPVBQESA-N -1 3 358.416 0.972 10 0 FCAEHM COc1ccc(C(=O)[N-]C(=O)C[N@@H+]2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)cc1 ZINC000289397154 489064569 /nfs/dbraw/zinc/06/45/69/489064569.db2.gz KQTQVHYVHBMNJP-GFCCVEGCSA-N -1 3 359.386 0.243 10 0 FCAEHM COc1ccc(C(=O)[N-]C(=O)C[N@H+]2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)cc1 ZINC000289397154 489064571 /nfs/dbraw/zinc/06/45/71/489064571.db2.gz KQTQVHYVHBMNJP-GFCCVEGCSA-N -1 3 359.386 0.243 10 0 FCAEHM COc1ccccc1CNC(=O)[C@H](C)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000289393176 489064583 /nfs/dbraw/zinc/06/45/83/489064583.db2.gz KGPVHGFJNJMEGH-GXTWGEPZSA-N -1 3 359.430 0.991 10 0 FCAEHM CC(=O)Nc1cccc(NC(=O)CN2CCC[C@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000289534157 489075111 /nfs/dbraw/zinc/07/51/11/489075111.db2.gz WGNIJMJLGLPLGR-LBPRGKRZSA-N -1 3 358.402 0.875 10 0 FCAEHM O=C(CN1CCC[C@@H](c2nc(=O)[n-][nH]2)C1)NC(=O)NC1CCCCC1 ZINC000289546604 489075564 /nfs/dbraw/zinc/07/55/64/489075564.db2.gz WZRCEFIABYVZRU-LLVKDONJSA-N -1 3 350.423 0.436 10 0 FCAEHM CC[C@H](CO)N1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)CC1 ZINC000330485873 489107554 /nfs/dbraw/zinc/10/75/54/489107554.db2.gz CKPJFLYLJBBFFO-OAHLLOKOSA-N -1 3 355.460 0.587 10 0 FCAEHM C[C@]1(c2ccc(-c3noc([C@]4(C)CCC(=O)NC4)n3)cc2)NC(=O)[N-]C1=O ZINC000290220563 489123081 /nfs/dbraw/zinc/12/30/81/489123081.db2.gz PRKAIYRNNIMVGU-QZTJIDSGSA-N -1 3 369.381 0.959 10 0 FCAEHM CC(C)(C)OC(=O)NC[C@@H](NC(=O)CN1CC(=O)[N-]C1=O)C(C)(C)C ZINC000282073034 489130654 /nfs/dbraw/zinc/13/06/54/489130654.db2.gz TUJXHZMVXFFWKK-SNVBAGLBSA-N -1 3 356.423 0.594 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000282170699 489141380 /nfs/dbraw/zinc/14/13/80/489141380.db2.gz NTTPMWOBQORKKK-LRDDRELGSA-N -1 3 351.790 0.756 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000290460214 489142560 /nfs/dbraw/zinc/14/25/60/489142560.db2.gz PKCBTQDAVHNZOC-UHFFFAOYSA-N -1 3 366.399 0.255 10 0 FCAEHM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000366125577 489148660 /nfs/dbraw/zinc/14/86/60/489148660.db2.gz DGFYCROOLKLDTG-APPDUMDISA-N -1 3 368.434 0.736 10 0 FCAEHM CCNC(=O)N1CC[C@@H](NC(=O)C[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000290551216 489149106 /nfs/dbraw/zinc/14/91/06/489149106.db2.gz QBHMENPOPSPTBF-LLVKDONJSA-N -1 3 372.422 0.024 10 0 FCAEHM O=C(c1cnnn1-c1cccc(F)c1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000570360117 491236009 /nfs/dbraw/zinc/23/60/09/491236009.db2.gz RZJISKOQAKEHSY-INIZCTEOSA-N -1 3 358.333 0.221 10 0 FCAEHM CN(CCCO)C(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000282416417 489162058 /nfs/dbraw/zinc/16/20/58/489162058.db2.gz DRCMCTBREWZZRE-UHFFFAOYSA-N -1 3 373.406 0.046 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2C(=O)NCC[C@@H]2C)c(Cl)c1 ZINC000282585495 489177006 /nfs/dbraw/zinc/17/70/06/489177006.db2.gz PRSWERDXTUMWPN-UFBFGSQYSA-N -1 3 360.819 0.930 10 0 FCAEHM CCNC(=O)N1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)c3nonc32)C1 ZINC000292768356 489178736 /nfs/dbraw/zinc/17/87/36/489178736.db2.gz PWTOXQNFXZSLJU-QMMMGPOBSA-N -1 3 373.822 0.958 10 0 FCAEHM CC[C@H]1[C@@H](CO)CCN1C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000331318189 489197380 /nfs/dbraw/zinc/19/73/80/489197380.db2.gz JWSDBJZGABNFJO-SCZZXKLOSA-N -1 3 360.208 0.331 10 0 FCAEHM CC(=O)c1cccc(S(=O)(=O)NCC(=O)NCc2ncccc2[O-])c1 ZINC000555092534 491238625 /nfs/dbraw/zinc/23/86/25/491238625.db2.gz ILRFWHFUICGVAT-UHFFFAOYSA-N -1 3 363.395 0.585 10 0 FCAEHM O=C(NC1CC1)c1nn[n-]c1NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000297696036 489225524 /nfs/dbraw/zinc/22/55/24/489225524.db2.gz JJTYLHHSWUMJLP-SECBINFHSA-N -1 3 358.358 0.277 10 0 FCAEHM O=C(NC1CC1)c1[n-]nnc1NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000297696036 489225527 /nfs/dbraw/zinc/22/55/27/489225527.db2.gz JJTYLHHSWUMJLP-SECBINFHSA-N -1 3 358.358 0.277 10 0 FCAEHM O=C(NC1CC1)c1n[n-]nc1NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000297696036 489225530 /nfs/dbraw/zinc/22/55/30/489225530.db2.gz JJTYLHHSWUMJLP-SECBINFHSA-N -1 3 358.358 0.277 10 0 FCAEHM COC[C@H](O)CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000555163510 491240841 /nfs/dbraw/zinc/24/08/41/491240841.db2.gz KYJVRXWLNXBJKG-SNVBAGLBSA-N -1 3 371.390 0.692 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000369435170 489236203 /nfs/dbraw/zinc/23/62/03/489236203.db2.gz JHUKOGLUDSCLOE-SNVBAGLBSA-N -1 3 368.340 0.535 10 0 FCAEHM O=C(Cn1cnc(-c2ccccc2)n1)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000297764717 489236571 /nfs/dbraw/zinc/23/65/71/489236571.db2.gz PFSYVPXSXWKJQJ-UHFFFAOYSA-N -1 3 352.358 0.594 10 0 FCAEHM O=C(Cn1cnc(-c2ccccc2)n1)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000297764717 489236577 /nfs/dbraw/zinc/23/65/77/489236577.db2.gz PFSYVPXSXWKJQJ-UHFFFAOYSA-N -1 3 352.358 0.594 10 0 FCAEHM O=C(Cn1cnc(-c2ccccc2)n1)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000297764717 489236579 /nfs/dbraw/zinc/23/65/79/489236579.db2.gz PFSYVPXSXWKJQJ-UHFFFAOYSA-N -1 3 352.358 0.594 10 0 FCAEHM O=S(=O)([N-]C[C@]1(OCCO)CCOC1)c1cc(F)ccc1Cl ZINC000657086381 492712556 /nfs/dbraw/zinc/71/25/56/492712556.db2.gz LRWHUIHRGFYQNT-CYBMUJFWSA-N -1 3 353.799 0.925 10 0 FCAEHM O=C(Nc1[n-]nnc1C(=O)NC1CC1)c1cn(Cc2ccccc2)nn1 ZINC000297872355 489255457 /nfs/dbraw/zinc/25/54/57/489255457.db2.gz ZSJRJGKDZSYJHH-UHFFFAOYSA-N -1 3 352.358 0.589 10 0 FCAEHM O=C(Nc1nn[n-]c1C(=O)NC1CC1)c1cn(Cc2ccccc2)nn1 ZINC000297872355 489255459 /nfs/dbraw/zinc/25/54/59/489255459.db2.gz ZSJRJGKDZSYJHH-UHFFFAOYSA-N -1 3 352.358 0.589 10 0 FCAEHM O=C(Nc1n[n-]nc1C(=O)NC1CC1)c1cn(Cc2ccccc2)nn1 ZINC000297872355 489255463 /nfs/dbraw/zinc/25/54/63/489255463.db2.gz ZSJRJGKDZSYJHH-UHFFFAOYSA-N -1 3 352.358 0.589 10 0 FCAEHM CC1(C)C[C@H](S(=O)(=O)NCC[N-]S(=O)(=O)c2cccs2)CO1 ZINC000625077466 492720326 /nfs/dbraw/zinc/72/03/26/492720326.db2.gz QPRIXLVIXKZVAF-JTQLQIEISA-N -1 3 368.502 0.513 10 0 FCAEHM COc1cc(CNC(=O)c2cc(=O)[n-]c(N(C)C)n2)ccc1OCCO ZINC000555235227 491242419 /nfs/dbraw/zinc/24/24/19/491242419.db2.gz XCRCFMKREITTLL-UHFFFAOYSA-N -1 3 362.386 0.558 10 0 FCAEHM COCCCn1c(=O)[n-]nc1S[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000369697943 489265593 /nfs/dbraw/zinc/26/55/93/489265593.db2.gz TZXGRGDWMSJBNN-LLVKDONJSA-N -1 3 366.447 0.960 10 0 FCAEHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)C[C@H]1CCOC[C@@H]1OC ZINC000297952976 489267885 /nfs/dbraw/zinc/26/78/85/489267885.db2.gz GEUIWZMVMHUVFH-KOLCDFICSA-N -1 3 354.359 0.968 10 0 FCAEHM Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1c(Cl)cnn1C)C(C)(C)CO ZINC000563434763 491245454 /nfs/dbraw/zinc/24/54/54/491245454.db2.gz QQXDTVSEKHVBDH-SNVBAGLBSA-N -1 3 361.855 0.845 10 0 FCAEHM Cc1n[nH]cc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CC[C@@H]1C1CC1 ZINC000349475746 489294432 /nfs/dbraw/zinc/29/44/32/489294432.db2.gz FRJMACYISVMSQT-CYBMUJFWSA-N -1 3 362.477 0.664 10 0 FCAEHM Cc1n[nH]cc1NS(=O)(=O)CCCS(=O)(=O)[N-]C1(C(F)F)CC1 ZINC000349533209 489309639 /nfs/dbraw/zinc/30/96/39/489309639.db2.gz DSDULOMCHMRTLG-UHFFFAOYSA-N -1 3 372.419 0.567 10 0 FCAEHM CC1(C)SC[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1cn[nH]c1 ZINC000349540339 489311075 /nfs/dbraw/zinc/31/10/75/489311075.db2.gz YUWIJZDRKXVKSM-SNVBAGLBSA-N -1 3 368.506 0.355 10 0 FCAEHM O=S(=O)(CCCS(=O)(=O)N[C@@H]1C[C@H]2C[C@H]2C1)[N-]c1ccnnc1 ZINC000349539919 489311458 /nfs/dbraw/zinc/31/14/58/489311458.db2.gz JGJBFNCLJDIRDA-PTEHBNRSSA-N -1 3 360.461 0.326 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCNC(=O)C1CC1 ZINC000298318505 489315792 /nfs/dbraw/zinc/31/57/92/489315792.db2.gz XTMJUPBJWBQARE-JTQLQIEISA-N -1 3 357.407 0.135 10 0 FCAEHM Cc1n[nH]c(C)c1[N-]S(=O)(=O)CCCS(=O)(=O)NCC1CCC1 ZINC000349566605 489317065 /nfs/dbraw/zinc/31/70/65/489317065.db2.gz LBKIOWHJTZGFRP-UHFFFAOYSA-N -1 3 364.493 0.878 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCc2nc(C[C@H]3CCCO3)no2)cn1C ZINC000349826063 489332170 /nfs/dbraw/zinc/33/21/70/489332170.db2.gz YFDAQLMGNPZBPB-LLVKDONJSA-N -1 3 355.420 0.354 10 0 FCAEHM C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C[C@@H]1C(=O)[O-] ZINC000570569340 491250340 /nfs/dbraw/zinc/25/03/40/491250340.db2.gz OGVKWQOQNIUEHV-ILXRZTDVSA-N -1 3 351.447 0.642 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@]3(CCCOC3)C2)ccc1F ZINC000286350214 489382804 /nfs/dbraw/zinc/38/28/04/489382804.db2.gz MMCKEHIKBRIRQR-MRXNPFEDSA-N -1 3 372.418 0.755 10 0 FCAEHM O=C1[C@@H]([N-]S(=O)(=O)C[C@@H]2CCC2(F)F)CCN1C1CCOCC1 ZINC000632062730 492921431 /nfs/dbraw/zinc/92/14/31/492921431.db2.gz IKJUHEZBQKUFTF-JQWIXIFHSA-N -1 3 352.403 0.731 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)c2ccnc(O[C@@H]3CCOC3)c2)nc1=N ZINC000555529327 491252404 /nfs/dbraw/zinc/25/24/04/491252404.db2.gz BAYDVDSLQFVRQV-CHWSQXEVSA-N -1 3 358.402 0.768 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)c2ccnc(O[C@H]3CCOC3)c2)nc1=N ZINC000555529330 491252450 /nfs/dbraw/zinc/25/24/50/491252450.db2.gz BAYDVDSLQFVRQV-STQMWFEESA-N -1 3 358.402 0.768 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)CCN2C(=O)c3ccccc3C2=O)nc1=N ZINC000555532085 491252762 /nfs/dbraw/zinc/25/27/62/491252762.db2.gz GWTYFVGCSQTDQD-ZDUSSCGKSA-N -1 3 368.397 0.577 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2nc(=N)n(C)[nH]2)c(C)o1 ZINC000555534458 491253162 /nfs/dbraw/zinc/25/31/62/491253162.db2.gz OVNVNJIBGHWGIB-SNVBAGLBSA-N -1 3 368.419 0.014 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2nc(=N)n(C)[nH]2)c(C)o1 ZINC000555534457 491253219 /nfs/dbraw/zinc/25/32/19/491253219.db2.gz OVNVNJIBGHWGIB-JTQLQIEISA-N -1 3 368.419 0.014 10 0 FCAEHM CN(CCC(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O)C(=O)OC(C)(C)C ZINC000286935013 489445143 /nfs/dbraw/zinc/44/51/43/489445143.db2.gz DPOVRXLRGXKNIF-INIZCTEOSA-N -1 3 354.407 0.444 10 0 FCAEHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](CF)C(=O)OC ZINC000287149306 489465266 /nfs/dbraw/zinc/46/52/66/489465266.db2.gz CJIBRPQJAXABQE-VIFPVBQESA-N -1 3 353.755 0.916 10 0 FCAEHM CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)CN2CC(=O)[N-]C2=O)CC1 ZINC000363521072 489474702 /nfs/dbraw/zinc/47/47/02/489474702.db2.gz AGIFUUMETJEVHW-HNNXBMFYSA-N -1 3 364.446 0.568 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)N2CC[C@@]3(CNC(=O)C3)C2)ccc1F ZINC000287308903 489476873 /nfs/dbraw/zinc/47/68/73/489476873.db2.gz UHUGNHRZXBLNDE-OAHLLOKOSA-N -1 3 370.406 0.478 10 0 FCAEHM O=C(NCCCN1C(=O)CCC1=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000371577381 489489009 /nfs/dbraw/zinc/48/90/09/489489009.db2.gz UBIAUVSQSRPZAD-CQSZACIVSA-N -1 3 373.409 0.652 10 0 FCAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CC[C@H](C)[S@](C)=O ZINC000451324755 489498385 /nfs/dbraw/zinc/49/83/85/489498385.db2.gz MFXAMAJKLKYDIP-JYFUKTADSA-N -1 3 367.411 0.947 10 0 FCAEHM C[C@H](C(=O)Nc1[n-]nnc1C(=O)NC1CC1)N1C(=O)c2ccccc2C1=O ZINC000415797312 489553810 /nfs/dbraw/zinc/55/38/10/489553810.db2.gz YPALYWKXKJFKMX-MRVPVSSYSA-N -1 3 368.353 0.320 10 0 FCAEHM C[C@H](C(=O)Nc1nn[n-]c1C(=O)NC1CC1)N1C(=O)c2ccccc2C1=O ZINC000415797312 489553811 /nfs/dbraw/zinc/55/38/11/489553811.db2.gz YPALYWKXKJFKMX-MRVPVSSYSA-N -1 3 368.353 0.320 10 0 FCAEHM C[C@H](C(=O)Nc1n[n-]nc1C(=O)NC1CC1)N1C(=O)c2ccccc2C1=O ZINC000415797312 489553813 /nfs/dbraw/zinc/55/38/13/489553813.db2.gz YPALYWKXKJFKMX-MRVPVSSYSA-N -1 3 368.353 0.320 10 0 FCAEHM CCOC(=O)[C@H]1CN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)CC12COC2 ZINC000454259789 489567319 /nfs/dbraw/zinc/56/73/19/489567319.db2.gz FGXUFDGWJJESKW-CYBMUJFWSA-N -1 3 373.365 0.614 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@H](O)C3(CC3)C2)cc1F ZINC000372293056 489567775 /nfs/dbraw/zinc/56/77/75/489567775.db2.gz BXUKKQVWQZZGFQ-LBPRGKRZSA-N -1 3 364.420 0.343 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)[C@@H](C)CN1CCO ZINC000416288529 489577285 /nfs/dbraw/zinc/57/72/85/489577285.db2.gz DIRLTTSYJSQDQY-NEPJUHHUSA-N -1 3 373.450 0.724 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)N2C[C@@H](C)N(CCO)C[C@H]2C)c([O-])c1 ZINC000416305499 489581862 /nfs/dbraw/zinc/58/18/62/489581862.db2.gz IXADJFCAGBGXHV-HUUCEWRRSA-N -1 3 363.458 0.734 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C)N(CCO)C[C@H]2C)c(C)o1 ZINC000416314635 489582616 /nfs/dbraw/zinc/58/26/16/489582616.db2.gz SZODDXPOJWEEDJ-WDEREUQCSA-N -1 3 359.448 0.023 10 0 FCAEHM COC(=O)C[C@H]([N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C)C(=O)OC ZINC000416367384 489585051 /nfs/dbraw/zinc/58/50/51/489585051.db2.gz DFYHHZCLMAOGOI-ZJUUUORDSA-N -1 3 359.404 0.163 10 0 FCAEHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C)C(=O)OC ZINC000416367376 489585117 /nfs/dbraw/zinc/58/51/17/489585117.db2.gz DFYHHZCLMAOGOI-NXEZZACHSA-N -1 3 359.404 0.163 10 0 FCAEHM O=S(=O)([N-]C[C@@H]1COc2ccccc2O1)c1cnn2c1OCCC2 ZINC000416369487 489585572 /nfs/dbraw/zinc/58/55/72/489585572.db2.gz JBRXWVGOPAOOPT-LLVKDONJSA-N -1 3 351.384 0.784 10 0 FCAEHM COC[C@](C)(O)CCNC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000455191494 489587916 /nfs/dbraw/zinc/58/79/16/489587916.db2.gz FAFMOUZPFOCHFS-GOSISDBHSA-N -1 3 365.430 0.647 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCNC(=O)CC1 ZINC000372545105 489598171 /nfs/dbraw/zinc/59/81/71/489598171.db2.gz JGTMIVAEPYIMTB-UHFFFAOYSA-N -1 3 351.837 0.028 10 0 FCAEHM C[C@H]1CCCc2nc(S(=O)(=O)[N-][C@H]3CCCN(CCCO)C3)cn21 ZINC000416489241 489600653 /nfs/dbraw/zinc/60/06/53/489600653.db2.gz PWLZZROLTMJOBB-KBPBESRZSA-N -1 3 356.492 0.906 10 0 FCAEHM CC[C@H]([N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F)[C@H](O)C(F)F ZINC000416498365 489601433 /nfs/dbraw/zinc/60/14/33/489601433.db2.gz VCOQFQOLHAAJNX-WKEGUHRASA-N -1 3 354.306 0.943 10 0 FCAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CCc1cn(C)cn1 ZINC000416536776 489607150 /nfs/dbraw/zinc/60/71/50/489607150.db2.gz QUSSQBVQHNEDKK-JTQLQIEISA-N -1 3 357.354 0.766 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N1CC[C@@](O)(C(F)F)C1 ZINC000456124631 489607802 /nfs/dbraw/zinc/60/78/02/489607802.db2.gz ZOMFFFCEMIERNY-INIZCTEOSA-N -1 3 353.325 0.721 10 0 FCAEHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CO)c1ccnn1C ZINC000416544030 489608252 /nfs/dbraw/zinc/60/82/52/489608252.db2.gz FXQCZUYKWCHFBO-LLVKDONJSA-N -1 3 373.818 0.872 10 0 FCAEHM O=C(CNC(=O)c1cccc([O-])c1)N1CCC(Oc2cnccn2)CC1 ZINC000427809353 489622195 /nfs/dbraw/zinc/62/21/95/489622195.db2.gz YSXRKINICDJLGK-UHFFFAOYSA-N -1 3 356.382 0.982 10 0 FCAEHM COCCN(C(=O)C(=O)[N-]c1sccc1C(=O)OC)[C@H]1CCOC1 ZINC000427915828 489628318 /nfs/dbraw/zinc/62/83/18/489628318.db2.gz KZIUEPMPVOHILX-JTQLQIEISA-N -1 3 356.400 0.737 10 0 FCAEHM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000428069867 489636372 /nfs/dbraw/zinc/63/63/72/489636372.db2.gz LYPGZWZTANTKME-MNOVXSKESA-N -1 3 359.382 0.714 10 0 FCAEHM CC[C@@H]1[C@H](CO)CCN1C(=O)NCc1ccc(S(=O)(=O)[N-]C)s1 ZINC000457563038 489648820 /nfs/dbraw/zinc/64/88/20/489648820.db2.gz BEEYFVAAGAXSEX-CMPLNLGQSA-N -1 3 361.489 0.959 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000428522062 489652430 /nfs/dbraw/zinc/65/24/30/489652430.db2.gz ACTHGVIMFDDHIV-ZDUSSCGKSA-N -1 3 371.441 0.208 10 0 FCAEHM CCC1(CC)CN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)CCS1(=O)=O ZINC000428832377 489665680 /nfs/dbraw/zinc/66/56/80/489665680.db2.gz GAUWVXWDLSYYEG-UHFFFAOYSA-N -1 3 364.423 1.000 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCOC[C@@H]1CC1CCC1 ZINC000570916128 491273401 /nfs/dbraw/zinc/27/34/01/491273401.db2.gz JBNZJQAYDVAUAO-AWEZNQCLSA-N -1 3 371.459 0.987 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCOC[C@H]1CC1CCC1 ZINC000570916129 491273478 /nfs/dbraw/zinc/27/34/78/491273478.db2.gz JBNZJQAYDVAUAO-CQSZACIVSA-N -1 3 371.459 0.987 10 0 FCAEHM O=C(CN1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)CC1)N1CCOCC1 ZINC000459294723 489726088 /nfs/dbraw/zinc/72/60/88/489726088.db2.gz LDYUDIFNXOROHX-UHFFFAOYSA-N -1 3 361.446 0.036 10 0 FCAEHM C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(Cc3nnn[n-]3)cc2)C1=O ZINC000473896554 489741908 /nfs/dbraw/zinc/74/19/08/489741908.db2.gz QSJGJMPZRVUJDS-QGZVFWFLSA-N -1 3 369.385 0.450 10 0 FCAEHM C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(Cc3nn[n-]n3)cc2)C1=O ZINC000473896554 489741910 /nfs/dbraw/zinc/74/19/10/489741910.db2.gz QSJGJMPZRVUJDS-QGZVFWFLSA-N -1 3 369.385 0.450 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@H](CO)CC(F)F ZINC000430530217 489743775 /nfs/dbraw/zinc/74/37/75/489743775.db2.gz GAYFGJMGIOHICZ-IUCAKERBSA-N -1 3 354.350 0.625 10 0 FCAEHM C[C@@H]1CN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)[C@H](C)[C@@H](C)O1 ZINC000474333099 489755621 /nfs/dbraw/zinc/75/56/21/489755621.db2.gz RCMSRJIFEXAVLB-IWSPIJDZSA-N -1 3 360.208 0.736 10 0 FCAEHM NC(=O)c1coc(CNC(=O)CC[N-]S(=O)(=O)c2cccs2)c1 ZINC000490525199 489772187 /nfs/dbraw/zinc/77/21/87/489772187.db2.gz ZJPHXFMCTQEVND-UHFFFAOYSA-N -1 3 357.413 0.425 10 0 FCAEHM CCn1nc(C(=O)Nc2nnc(SCCO)[n-]2)c(=O)c2ccccc21 ZINC000490565572 489774617 /nfs/dbraw/zinc/77/46/17/489774617.db2.gz NMIOSDZPMHLURO-UHFFFAOYSA-N -1 3 360.399 0.871 10 0 FCAEHM CCn1nc(C(=O)Nc2nc(SCCO)n[n-]2)c(=O)c2ccccc21 ZINC000490565572 489774623 /nfs/dbraw/zinc/77/46/23/489774623.db2.gz NMIOSDZPMHLURO-UHFFFAOYSA-N -1 3 360.399 0.871 10 0 FCAEHM CCn1nc(C(=O)Nc2n[n-]c(SCCO)n2)c(=O)c2ccccc21 ZINC000490565572 489774627 /nfs/dbraw/zinc/77/46/27/489774627.db2.gz NMIOSDZPMHLURO-UHFFFAOYSA-N -1 3 360.399 0.871 10 0 FCAEHM COc1nc(NC(=O)[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)n[n-]1 ZINC000490690238 489780241 /nfs/dbraw/zinc/78/02/41/489780241.db2.gz HJQSJAWYZMBVOH-VIFPVBQESA-N -1 3 353.404 0.806 10 0 FCAEHM COc1nnc(NC(=O)[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)[n-]1 ZINC000490690238 489780246 /nfs/dbraw/zinc/78/02/46/489780246.db2.gz HJQSJAWYZMBVOH-VIFPVBQESA-N -1 3 353.404 0.806 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)n1 ZINC000490690238 489780250 /nfs/dbraw/zinc/78/02/50/489780250.db2.gz HJQSJAWYZMBVOH-VIFPVBQESA-N -1 3 353.404 0.806 10 0 FCAEHM COc1nc(NC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)n[n-]1 ZINC000490728729 489781800 /nfs/dbraw/zinc/78/18/00/489781800.db2.gz ATBAKPVJQZTDRY-UHFFFAOYSA-N -1 3 365.415 0.296 10 0 FCAEHM COc1nnc(NC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)[n-]1 ZINC000490728729 489781806 /nfs/dbraw/zinc/78/18/06/489781806.db2.gz ATBAKPVJQZTDRY-UHFFFAOYSA-N -1 3 365.415 0.296 10 0 FCAEHM COc1n[n-]c(NC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)n1 ZINC000490728729 489781810 /nfs/dbraw/zinc/78/18/10/489781810.db2.gz ATBAKPVJQZTDRY-UHFFFAOYSA-N -1 3 365.415 0.296 10 0 FCAEHM COc1nc(NC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)n[n-]1 ZINC000490748090 489783589 /nfs/dbraw/zinc/78/35/89/489783589.db2.gz WLRJEQSKTXQFCO-UHFFFAOYSA-N -1 3 365.415 0.825 10 0 FCAEHM COc1nnc(NC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)[n-]1 ZINC000490748090 489783591 /nfs/dbraw/zinc/78/35/91/489783591.db2.gz WLRJEQSKTXQFCO-UHFFFAOYSA-N -1 3 365.415 0.825 10 0 FCAEHM COc1n[n-]c(NC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)n1 ZINC000490748090 489783592 /nfs/dbraw/zinc/78/35/92/489783592.db2.gz WLRJEQSKTXQFCO-UHFFFAOYSA-N -1 3 365.415 0.825 10 0 FCAEHM CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000571017406 491280144 /nfs/dbraw/zinc/28/01/44/491280144.db2.gz SIGZTKFPSLSKOT-ZFWWWQNUSA-N -1 3 364.398 0.691 10 0 FCAEHM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-][C@@H](C)c1ncc(Br)cn1 ZINC000431634142 489813872 /nfs/dbraw/zinc/81/38/72/489813872.db2.gz MDXVHYUFUBQNEG-JGVFFNPUSA-N -1 3 365.253 0.696 10 0 FCAEHM C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000377052702 489844809 /nfs/dbraw/zinc/84/48/09/489844809.db2.gz PZEUQKCQHYCLEJ-QFSBIZTOSA-N -1 3 365.434 0.065 10 0 FCAEHM C[C@H](CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)[S@](C)=O ZINC000493938836 489863822 /nfs/dbraw/zinc/86/38/22/489863822.db2.gz GHSLEOMTOYABGN-ARNPGYACSA-N -1 3 352.503 0.688 10 0 FCAEHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]Cc2cc(C(N)=O)co2)s1 ZINC000494363935 489886396 /nfs/dbraw/zinc/88/63/96/489886396.db2.gz GJFVDAGPNZNOQI-UHFFFAOYSA-N -1 3 371.440 0.597 10 0 FCAEHM COCCCCS(=O)(=O)[N-][C@@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000476435702 489887587 /nfs/dbraw/zinc/88/75/87/489887587.db2.gz ZNEMJCNEZJLVIH-SNVBAGLBSA-N -1 3 358.424 0.898 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)Nc2n[nH]c3cc(F)ccc32)c1 ZINC000476788928 489916171 /nfs/dbraw/zinc/91/61/71/489916171.db2.gz NGBVZNQBSSUSDF-UHFFFAOYSA-N -1 3 352.351 0.353 10 0 FCAEHM COc1ccc2c(c1)[n-]cc(C(=O)NCCS(=O)(=O)N(C)C)c2=O ZINC000461635666 489924366 /nfs/dbraw/zinc/92/43/66/489924366.db2.gz PYJMJNJUPOLXTH-UHFFFAOYSA-N -1 3 353.400 0.158 10 0 FCAEHM CCOc1ccc(CN(C)C(=O)CN2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000434789249 489956744 /nfs/dbraw/zinc/95/67/44/489956744.db2.gz XATNQXBRACOUIM-IBGZPJMESA-N -1 3 374.441 0.718 10 0 FCAEHM C[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CCS1(=O)=O ZINC000377788426 489958023 /nfs/dbraw/zinc/95/80/23/489958023.db2.gz YFACTUPIMWRIMA-TZMCWYRMSA-N -1 3 366.439 0.642 10 0 FCAEHM CNC(=O)[C@H](C)CN(C)C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000477599128 489975940 /nfs/dbraw/zinc/97/59/40/489975940.db2.gz DXZBPILTZSGWTF-GFCCVEGCSA-N -1 3 371.441 0.913 10 0 FCAEHM O=C(CC[C@@H]1NC(=O)[N-]C1=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000378096712 490008959 /nfs/dbraw/zinc/00/89/59/490008959.db2.gz XGRDLYHKTMATNX-KOLCDFICSA-N -1 3 351.794 0.418 10 0 FCAEHM COC[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])C(=O)OC ZINC000436631964 490009634 /nfs/dbraw/zinc/00/96/34/490009634.db2.gz VFCSXULJVINAQD-STQMWFEESA-N -1 3 350.371 0.301 10 0 FCAEHM CCCN1C[C@H](C[N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)CC1=O ZINC000420701149 490010852 /nfs/dbraw/zinc/01/08/52/490010852.db2.gz DLEZIZFBWHUTOK-LBPRGKRZSA-N -1 3 374.484 0.627 10 0 FCAEHM CCOC(=O)[C@@H](CO)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436743737 490012240 /nfs/dbraw/zinc/01/22/40/490012240.db2.gz ZXYLASXDPVZXHI-CHWSQXEVSA-N -1 3 350.371 0.037 10 0 FCAEHM CC[C@H](CO)N1CCN(C(=O)CCNC(=O)c2ccc(C)cc2[O-])CC1 ZINC000436904737 490014745 /nfs/dbraw/zinc/01/47/45/490014745.db2.gz ZPACWODMBDRFGD-OAHLLOKOSA-N -1 3 363.458 0.736 10 0 FCAEHM COc1ccc2c(c1)[n-]cc(C(=O)NCc1ccc(C(N)=O)nc1)c2=O ZINC000441778178 490056209 /nfs/dbraw/zinc/05/62/09/490056209.db2.gz OXBKSQMAVNQXMC-UHFFFAOYSA-N -1 3 352.350 0.961 10 0 FCAEHM CCC(=O)N1CSC[C@H]1C(=O)Nc1c(C(=O)OC)c[n-]c1C(=O)OC ZINC000464457896 490057409 /nfs/dbraw/zinc/05/74/09/490057409.db2.gz GPTCKSYWHODDLH-VIFPVBQESA-N -1 3 369.399 0.838 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000378401509 490060150 /nfs/dbraw/zinc/06/01/50/490060150.db2.gz KLHQCNIBEROANS-UWVGGRQHSA-N -1 3 372.303 0.678 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NCCc1c(C)nn(C)c1C ZINC000519855799 490100357 /nfs/dbraw/zinc/10/03/57/490100357.db2.gz GDFPKEHAUYWAQS-UHFFFAOYSA-N -1 3 369.447 0.279 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)cc1F ZINC000445048700 490122832 /nfs/dbraw/zinc/12/28/32/490122832.db2.gz ILEUCYJWZXMERW-RBZYPMLTSA-N -1 3 370.402 0.900 10 0 FCAEHM COC(=O)[C@@H](C)CS(=O)(=O)[N-][C@@H]1CCCN(c2cccnc2)C1=O ZINC000378652568 490122982 /nfs/dbraw/zinc/12/29/82/490122982.db2.gz VHVDGSDWALITFB-WCQYABFASA-N -1 3 355.416 0.306 10 0 FCAEHM COC(=O)[C@H](C)CS(=O)(=O)[N-][C@@H]1CCCN(c2cccnc2)C1=O ZINC000378652567 490124192 /nfs/dbraw/zinc/12/41/92/490124192.db2.gz VHVDGSDWALITFB-DGCLKSJQSA-N -1 3 355.416 0.306 10 0 FCAEHM COc1cc(C(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)cc(OC)c1[O-] ZINC000506688758 490126630 /nfs/dbraw/zinc/12/66/30/490126630.db2.gz OQOHXWYLBPJVJK-ZYHUDNBSSA-N -1 3 372.443 0.857 10 0 FCAEHM C[C@H](NC(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1)c1ccccc1-n1cccn1 ZINC000545435853 490135349 /nfs/dbraw/zinc/13/53/49/490135349.db2.gz UXJDBUUPMVXALE-SWLSCSKDSA-N -1 3 368.397 0.879 10 0 FCAEHM Cc1ccn2c(c1)nnc2NC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000446880454 490169327 /nfs/dbraw/zinc/16/93/27/490169327.db2.gz DEBANHYYSQANPZ-SFHVURJKSA-N -1 3 364.365 1.345 10 0 FCAEHM COC(=O)C1([N-]S(=O)(=O)C2CCS(=O)(=O)CC2)CCCCC1 ZINC000407970817 490189607 /nfs/dbraw/zinc/18/96/07/490189607.db2.gz DMHGSEMLMJVDEU-UHFFFAOYSA-N -1 3 353.462 0.359 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-]Cc2nnc3ccccn32)oc1C ZINC000447198978 490198005 /nfs/dbraw/zinc/19/80/05/490198005.db2.gz JBYJUZCTORWEMY-UHFFFAOYSA-N -1 3 350.356 0.896 10 0 FCAEHM C[C@H]1CC(C)(C)C[C@](CO)(NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)C1 ZINC000546215152 490209205 /nfs/dbraw/zinc/20/92/05/490209205.db2.gz NXSQPBSZHFGRID-BLLLJJGKSA-N -1 3 372.491 0.392 10 0 FCAEHM COCCOc1ccc(S(C)(=O)=O)cc1[N-]S(=O)(=O)N1CCC1 ZINC000507579671 490236680 /nfs/dbraw/zinc/23/66/80/490236680.db2.gz LROMEYILSGKITP-UHFFFAOYSA-N -1 3 364.445 0.478 10 0 FCAEHM C[C@H]1CCCN1S(=O)(=O)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1 ZINC000546728839 490237985 /nfs/dbraw/zinc/23/79/85/490237985.db2.gz UMYISAKSBKHXHP-GXFFZTMASA-N -1 3 352.416 0.578 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NS(=O)(=O)N2CCC[C@H]2C)ccc1F ZINC000507622814 490239664 /nfs/dbraw/zinc/23/96/64/490239664.db2.gz VJSCQNMEGQULOJ-SECBINFHSA-N -1 3 351.425 0.875 10 0 FCAEHM O=C(CCCN1CCN(c2ccccc2)CC1)NCCc1nc(=O)o[n-]1 ZINC000447632293 490248293 /nfs/dbraw/zinc/24/82/93/490248293.db2.gz HIWMXCAOMBECEX-UHFFFAOYSA-N -1 3 359.430 0.624 10 0 FCAEHM O=C(c1cccc([O-])c1)N1CCN(C[C@@H](O)COC[C@@H]2CCCO2)CC1 ZINC000533531582 490249913 /nfs/dbraw/zinc/24/99/13/490249913.db2.gz SCQXPYWGBOXZSY-MSOLQXFVSA-N -1 3 364.442 0.707 10 0 FCAEHM COc1ccccc1N1CC[C@H](NC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)C1 ZINC000546847990 490250609 /nfs/dbraw/zinc/25/06/09/490250609.db2.gz MXPULBDNBAULAI-JSGCOSHPSA-N -1 3 373.413 0.220 10 0 FCAEHM Cc1nn(CC(F)F)c(C)c1C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000447746092 490265493 /nfs/dbraw/zinc/26/54/93/490265493.db2.gz OVYICWCMUUDHLT-HNNXBMFYSA-N -1 3 355.345 0.579 10 0 FCAEHM O=C1CN(Cc2nc(-c3cccc(CN4CCCC4=O)c3)no2)C(=O)[N-]1 ZINC000547138588 490268202 /nfs/dbraw/zinc/26/82/02/490268202.db2.gz UWOAOAQQCXRVIP-UHFFFAOYSA-N -1 3 355.354 0.911 10 0 FCAEHM C[C@H](O)C1CCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)CC1 ZINC000408193949 490271856 /nfs/dbraw/zinc/27/18/56/490271856.db2.gz UVKSQTXCFSWPQP-QMMMGPOBSA-N -1 3 360.208 0.331 10 0 FCAEHM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N1CCN2CCC1CC2 ZINC000507879551 490273647 /nfs/dbraw/zinc/27/36/47/490273647.db2.gz ZNILOVIWEBGGKK-UHFFFAOYSA-N -1 3 354.414 0.797 10 0 FCAEHM CN1CCO[C@H]2CN(C(=O)c3ccc(F)c([N-]S(C)(=O)=O)c3)C[C@H]21 ZINC000408294292 490298846 /nfs/dbraw/zinc/29/88/46/490298846.db2.gz LOAYYWUURJUMNO-KGLIPLIRSA-N -1 3 357.407 0.352 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000521913701 490311087 /nfs/dbraw/zinc/31/10/87/490311087.db2.gz CYBMKYXSKFRXNG-UHFFFAOYSA-N -1 3 356.338 0.700 10 0 FCAEHM C[C@@H]1CCCN1S(=O)(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000408410024 490329899 /nfs/dbraw/zinc/32/98/99/490329899.db2.gz IFXVFJNKYZKNMV-CYBMUJFWSA-N -1 3 353.444 0.879 10 0 FCAEHM CS(=O)(=O)C[C@@H]([N-]S(=O)(=O)c1cnc2n1CCC2)c1ccccc1 ZINC000547801632 490358878 /nfs/dbraw/zinc/35/88/78/490358878.db2.gz BQJNOVCVMFOYQU-CYBMUJFWSA-N -1 3 369.468 0.894 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)Nc2cc(OC)n(C)n2)s1 ZINC000547840596 490366503 /nfs/dbraw/zinc/36/65/03/490366503.db2.gz VBVFMLLUGRZYNE-UHFFFAOYSA-N -1 3 359.433 0.720 10 0 FCAEHM CNC(=O)c1nn[n-]c1NC(=O)[C@H]1CC(=O)N(c2ccc(SC)cc2)C1 ZINC000411093749 490385418 /nfs/dbraw/zinc/38/54/18/490385418.db2.gz CXFHGTKIOZNOSD-VIFPVBQESA-N -1 3 374.426 0.878 10 0 FCAEHM CNC(=O)c1[n-]nnc1NC(=O)[C@H]1CC(=O)N(c2ccc(SC)cc2)C1 ZINC000411093749 490385423 /nfs/dbraw/zinc/38/54/23/490385423.db2.gz CXFHGTKIOZNOSD-VIFPVBQESA-N -1 3 374.426 0.878 10 0 FCAEHM CNC(=O)c1n[n-]nc1NC(=O)[C@H]1CC(=O)N(c2ccc(SC)cc2)C1 ZINC000411093749 490385430 /nfs/dbraw/zinc/38/54/30/490385430.db2.gz CXFHGTKIOZNOSD-VIFPVBQESA-N -1 3 374.426 0.878 10 0 FCAEHM O=C(COc1ccc2c(c1)CCC(=O)N2)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000411104581 490389456 /nfs/dbraw/zinc/38/94/56/490389456.db2.gz MIOFKHCWIVFCKK-UHFFFAOYSA-N -1 3 370.369 0.599 10 0 FCAEHM O=C(COc1ccc2c(c1)CCC(=O)N2)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000411104581 490389467 /nfs/dbraw/zinc/38/94/67/490389467.db2.gz MIOFKHCWIVFCKK-UHFFFAOYSA-N -1 3 370.369 0.599 10 0 FCAEHM O=C(COc1ccc2c(c1)CCC(=O)N2)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000411104581 490389475 /nfs/dbraw/zinc/38/94/75/490389475.db2.gz MIOFKHCWIVFCKK-UHFFFAOYSA-N -1 3 370.369 0.599 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2c(C(=O)N3C[C@H](O)C4(CC4)C3)cc(C3CC3)nc21 ZINC000547981075 490401830 /nfs/dbraw/zinc/40/18/30/490401830.db2.gz RVHILZAHIBUJTL-LBPRGKRZSA-N -1 3 356.382 0.508 10 0 FCAEHM CN(Cc1cc(=O)[n-]c(N)n1)[C@@H]1CCN(C(=O)CC2(O)CCCCC2)C1 ZINC000548024916 490407467 /nfs/dbraw/zinc/40/74/67/490407467.db2.gz IBHYDPGQQQZBIJ-CQSZACIVSA-N -1 3 363.462 0.882 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1cc(F)ccc1NC(=O)c1ccccn1 ZINC000522936440 490421156 /nfs/dbraw/zinc/42/11/56/490421156.db2.gz CNQLPCCSKLKAID-UHFFFAOYSA-N -1 3 371.328 0.963 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)[C@@H](C)CN1CCO ZINC000571744230 491326092 /nfs/dbraw/zinc/32/60/92/491326092.db2.gz VZSNLESFYRTCKF-NQCMUKECSA-N -1 3 374.441 0.268 10 0 FCAEHM C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)C(=O)[N-]c1nccn1-c1ccccc1 ZINC000411383514 490445281 /nfs/dbraw/zinc/44/52/81/490445281.db2.gz GKRKSERGOHPMLA-QWHCGFSZSA-N -1 3 355.398 0.923 10 0 FCAEHM COC(=O)[C@@H]1CCN(C(=O)NCc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)C1 ZINC000523215831 490449632 /nfs/dbraw/zinc/44/96/32/490449632.db2.gz GVIRDDBKAWOBHT-KZULUSFZSA-N -1 3 374.397 0.446 10 0 FCAEHM CC1(O)CC(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000450202673 490450323 /nfs/dbraw/zinc/45/03/23/490450323.db2.gz UVTLOWDAFXRJGH-UHFFFAOYSA-N -1 3 352.865 0.957 10 0 FCAEHM CO[C@@H]1C[C@H](CC(=O)[O-])N(C[C@@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000571767544 491327883 /nfs/dbraw/zinc/32/78/83/491327883.db2.gz AFLARECVGVYGRK-YRGRVCCFSA-N -1 3 353.371 0.719 10 0 FCAEHM CN1C[C@H](NC(=O)c2cc(C3CC3)nc3c2c(=O)[n-]c(=O)n3C)CCC1=O ZINC000523399542 490461910 /nfs/dbraw/zinc/46/19/10/490461910.db2.gz ADWDHQKBPKVIQB-SNVBAGLBSA-N -1 3 371.397 0.262 10 0 FCAEHM CCCc1nc(=NC(=O)C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)s[n-]1 ZINC000411521019 490475296 /nfs/dbraw/zinc/47/52/96/490475296.db2.gz SFFMLTPERPCIQV-VXGBXAGGSA-N -1 3 351.476 0.936 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2CC(=O)NC[C@@H]2COc3ccccc3O2)nc1=N ZINC000450905685 490497427 /nfs/dbraw/zinc/49/74/27/490497427.db2.gz PPYGAJNXBMGKST-CHWSQXEVSA-N -1 3 372.429 0.321 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-]CC(=O)N2CCc3ccccc32)C[C@H](C)O1 ZINC000523828818 490498294 /nfs/dbraw/zinc/49/82/94/490498294.db2.gz HLFDINNXWUKRLL-BETUJISGSA-N -1 3 353.444 0.519 10 0 FCAEHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N(CCO)[C@H]1CCO[C@@H]1C ZINC000485155737 490507344 /nfs/dbraw/zinc/50/73/44/490507344.db2.gz YAGYPZKIOJLQBL-PWSUYJOCSA-N -1 3 370.427 0.862 10 0 FCAEHM Cc1cnc(N)c(S(=O)(=O)N2CCC[C@H]2C[C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000510488460 490521597 /nfs/dbraw/zinc/52/15/97/490521597.db2.gz KKLODROCIATUEJ-ZUZCIYMTSA-N -1 3 367.431 0.114 10 0 FCAEHM COc1ccc2c(c1)[n-]cc(C(=O)N1CC[C@H](S(N)(=O)=O)C1)c2=O ZINC000535984743 490544157 /nfs/dbraw/zinc/54/41/57/490544157.db2.gz MHLYXHOPAAIOQX-JTQLQIEISA-N -1 3 351.384 0.040 10 0 FCAEHM C[C@H](CNC(=O)C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1)N(C)C1CC1 ZINC000571882012 491335015 /nfs/dbraw/zinc/33/50/15/491335015.db2.gz KPEPHMPHXYQGBP-XYPHTWIQSA-N -1 3 373.453 0.912 10 0 FCAEHM CCOC(=O)[C@H]([N-]S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)C1CCOCC1 ZINC000536157158 490557513 /nfs/dbraw/zinc/55/75/13/490557513.db2.gz GVUJZDHCPQCWBN-MBNYWOFBSA-N -1 3 364.464 0.288 10 0 FCAEHM CCNC(=O)[C@H](C)NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000511093793 490561786 /nfs/dbraw/zinc/56/17/86/490561786.db2.gz WRVCOIUDDFTYFF-LBPRGKRZSA-N -1 3 357.414 0.714 10 0 FCAEHM CS(=O)(=O)CCCS(=O)(=O)[N-]CC(=O)Nc1ccc(Cl)cc1 ZINC000524869769 490566373 /nfs/dbraw/zinc/56/63/73/490566373.db2.gz WSAPTHKHCSNUGX-UHFFFAOYSA-N -1 3 368.864 0.633 10 0 FCAEHM COC[C@H](O)CNC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000549147884 490566992 /nfs/dbraw/zinc/56/69/92/490566992.db2.gz BSXKCIPVQMQXNU-SNVBAGLBSA-N -1 3 374.440 0.557 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)Cn2nnc(-c3ccccc3)n2)nc1=N ZINC000549729035 490597224 /nfs/dbraw/zinc/59/72/24/490597224.db2.gz SVCQLDPELZKCIB-GFCCVEGCSA-N -1 3 353.390 0.245 10 0 FCAEHM O=C(CNC(=O)c1cc2c(cc1[O-])CCCC2)NCCN1CCOCC1 ZINC000536690603 490607051 /nfs/dbraw/zinc/60/70/51/490607051.db2.gz ZCJQHLJLMGVGGP-UHFFFAOYSA-N -1 3 361.442 0.449 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N(C)CC2CC2)s1 ZINC000525690949 490620266 /nfs/dbraw/zinc/62/02/66/490620266.db2.gz XKLIRGWVTHDKMA-UHFFFAOYSA-N -1 3 359.473 0.531 10 0 FCAEHM Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000536933830 490625576 /nfs/dbraw/zinc/62/55/76/490625576.db2.gz OOPBPCFISRLGQT-OCCSQVGLSA-N -1 3 355.398 0.934 10 0 FCAEHM CCOC(=O)C1(O)CCN(C(=O)CNC(=O)c2ccc([O-])cc2)CC1 ZINC000525760107 490629147 /nfs/dbraw/zinc/62/91/47/490629147.db2.gz VELASKBTKSXXCC-UHFFFAOYSA-N -1 3 350.371 0.039 10 0 FCAEHM C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000525939964 490656632 /nfs/dbraw/zinc/65/66/32/490656632.db2.gz ULBAVPLJAHZNTL-DTWKUNHWSA-N -1 3 354.354 0.498 10 0 FCAEHM O=C1[N-]C(=O)N2CCN(C[C@H](O)COc3c(Cl)cccc3Cl)C[C@H]12 ZINC000537609741 490685702 /nfs/dbraw/zinc/68/57/02/490685702.db2.gz ASOCZMQYKNPOSE-JOYOIKCWSA-N -1 3 374.224 0.969 10 0 FCAEHM Cc1nc(C(=O)Nc2ccc(C[C@H]3NC(=O)[N-]C3=O)cc2)c(=O)[nH]c1C ZINC000537719976 490690576 /nfs/dbraw/zinc/69/05/76/490690576.db2.gz HPKHQRPGADZPER-GFCCVEGCSA-N -1 3 355.354 0.390 10 0 FCAEHM COc1nc(NC(=O)[C@H](Cc2cccc(OC)c2)n2nnnc2C)n[n-]1 ZINC000537735156 490693305 /nfs/dbraw/zinc/69/33/05/490693305.db2.gz UFRGZEARRBJYSQ-LBPRGKRZSA-N -1 3 358.362 0.539 10 0 FCAEHM COc1nnc(NC(=O)[C@H](Cc2cccc(OC)c2)n2nnnc2C)[n-]1 ZINC000537735156 490693309 /nfs/dbraw/zinc/69/33/09/490693309.db2.gz UFRGZEARRBJYSQ-LBPRGKRZSA-N -1 3 358.362 0.539 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@H](Cc2cccc(OC)c2)n2nnnc2C)n1 ZINC000537735156 490693313 /nfs/dbraw/zinc/69/33/13/490693313.db2.gz UFRGZEARRBJYSQ-LBPRGKRZSA-N -1 3 358.362 0.539 10 0 FCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000487148430 490698136 /nfs/dbraw/zinc/69/81/36/490698136.db2.gz GUEFMTLQCDYEGM-WDEREUQCSA-N -1 3 366.418 0.304 10 0 FCAEHM CCOC(=O)[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000487345642 490707394 /nfs/dbraw/zinc/70/73/94/490707394.db2.gz YXIFMTBZUMCHNZ-IUCAKERBSA-N -1 3 364.370 0.699 10 0 FCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000487378675 490709677 /nfs/dbraw/zinc/70/96/77/490709677.db2.gz QFSFEALLZOLMQW-WDEREUQCSA-N -1 3 360.407 0.869 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N2[C@@H](C)C[C@@H]2C)s1 ZINC000527474138 490728157 /nfs/dbraw/zinc/72/81/57/490728157.db2.gz BKKQTMSGHIOKGB-UWVGGRQHSA-N -1 3 359.473 0.672 10 0 FCAEHM Cc1ccc(NC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)cc1S(C)(=O)=O ZINC000538714375 490746774 /nfs/dbraw/zinc/74/67/74/490746774.db2.gz LREATZZEFQDDSX-LLVKDONJSA-N -1 3 366.399 0.166 10 0 FCAEHM O=C(CNC(=O)c1ccsc1)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000538822307 490751235 /nfs/dbraw/zinc/75/12/35/490751235.db2.gz OYMOALMCBRWRPG-ZDUSSCGKSA-N -1 3 372.406 0.867 10 0 FCAEHM CN1CC[C@H](CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC1=O ZINC000572150275 491352286 /nfs/dbraw/zinc/35/22/86/491352286.db2.gz PUJKKWHIYXADFS-DZGCQCFKSA-N -1 3 359.426 0.981 10 0 FCAEHM CN1CC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC1=O ZINC000572150277 491352445 /nfs/dbraw/zinc/35/24/45/491352445.db2.gz PUJKKWHIYXADFS-UKRRQHHQSA-N -1 3 359.426 0.981 10 0 FCAEHM C[C@]1(F)CNCCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000572601285 491380645 /nfs/dbraw/zinc/38/06/45/491380645.db2.gz CYZYQIJHYPPUBG-LBPRGKRZSA-N -1 3 369.871 0.840 10 0 FCAEHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-]CC1(CO)COC1 ZINC000528351025 490789884 /nfs/dbraw/zinc/78/98/84/490789884.db2.gz OLMFDRRNZQLSRZ-UHFFFAOYSA-N -1 3 371.333 0.881 10 0 FCAEHM CCn1ncc(C[N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)n1 ZINC000528444772 490798382 /nfs/dbraw/zinc/79/83/82/490798382.db2.gz GQJAIAYGVBKOKZ-UHFFFAOYSA-N -1 3 358.445 0.488 10 0 FCAEHM CN1C2(CCC2)COC[C@@]1(CO)C[N-]S(=O)(=O)c1ccccc1F ZINC000528479686 490801662 /nfs/dbraw/zinc/80/16/62/490801662.db2.gz CBOMYGDUGOZEJJ-INIZCTEOSA-N -1 3 358.435 0.720 10 0 FCAEHM CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@]12C[C@H]1COC2(C)C ZINC000528488538 490802977 /nfs/dbraw/zinc/80/29/77/490802977.db2.gz INDANQQWDCPYQB-IINYFYTJSA-N -1 3 360.457 0.441 10 0 FCAEHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC2COC2)cc1F ZINC000528562933 490809665 /nfs/dbraw/zinc/80/96/65/490809665.db2.gz AAKVFBMBLSJOTI-UHFFFAOYSA-N -1 3 366.436 0.902 10 0 FCAEHM CCn1c(=O)[n-]c(=O)c2c(C(=O)N3CC(CCO)C3)cc(C3CC3)nc21 ZINC000540518806 490826788 /nfs/dbraw/zinc/82/67/88/490826788.db2.gz MXGBXCWVLKFYBQ-UHFFFAOYSA-N -1 3 358.398 0.849 10 0 FCAEHM CC[C@@H]1[C@@H](CO)CCN1C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000515481288 490828097 /nfs/dbraw/zinc/82/80/97/490828097.db2.gz BYZGCKORIOJUIL-VXGBXAGGSA-N -1 3 361.489 0.829 10 0 FCAEHM Cc1nnc([C@H](C)[N-]S(=O)(=O)C2CN(C(=O)c3ccccc3)C2)o1 ZINC000540933120 490840709 /nfs/dbraw/zinc/84/07/09/490840709.db2.gz CWZBTHGAJHKQRD-JTQLQIEISA-N -1 3 350.400 0.883 10 0 FCAEHM C[C@H](C(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1)N1C(=O)c2ccccc2C1=O ZINC000516301190 490860253 /nfs/dbraw/zinc/86/02/53/490860253.db2.gz NCZVDVVQEYFCQM-MFKMUULPSA-N -1 3 368.397 0.576 10 0 FCAEHM CCCn1c(=O)[n-]nc1S(=O)(=O)Cc1nnnn1Cc1ccccc1 ZINC000516330465 490861118 /nfs/dbraw/zinc/86/11/18/490861118.db2.gz RGXPJYINWMONND-UHFFFAOYSA-N -1 3 363.403 0.402 10 0 FCAEHM Cn1nnc2ccc(C(=O)Nc3ccc(C[C@H]4NC(=O)[N-]C4=O)cc3)cc21 ZINC000541707690 490869730 /nfs/dbraw/zinc/86/97/30/490869730.db2.gz OOURFAUIKPIMCC-CQSZACIVSA-N -1 3 364.365 0.971 10 0 FCAEHM COc1ccc(C(=O)NC[C@@]2(CO)COCC3(CCC3)N2C)c([O-])c1 ZINC000529753769 490873202 /nfs/dbraw/zinc/87/32/02/490873202.db2.gz REEYNBKZLYPXDW-GOSISDBHSA-N -1 3 350.415 0.746 10 0 FCAEHM CCn1c(=O)[n-]c(=O)c2c(C(=O)N[C@H]3[C@@H]4COC[C@@H]43)cc(C3CC3)nc21 ZINC000530308952 490898716 /nfs/dbraw/zinc/89/87/16/490898716.db2.gz FOYZGAYMJFAKTI-YABSGUDNSA-N -1 3 356.382 0.769 10 0 FCAEHM Cc1c(NC(=O)c2cc(=O)[n-]c(N(C)C)n2)cccc1N1C(=O)CNC1=O ZINC000530311717 490899036 /nfs/dbraw/zinc/89/90/36/490899036.db2.gz JWOSHKFYHKFUNH-UHFFFAOYSA-N -1 3 370.369 0.865 10 0 FCAEHM COCC1(CCNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)CC1 ZINC000517374933 490906403 /nfs/dbraw/zinc/90/64/03/490906403.db2.gz PQKXGXUKGOXTOO-UHFFFAOYSA-N -1 3 360.208 0.644 10 0 FCAEHM COc1nc(NC(=O)[C@H](CSC)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)n[n-]1 ZINC000542774555 490908235 /nfs/dbraw/zinc/90/82/35/490908235.db2.gz FDFZODIXCPIWKB-AEJSXWLSSA-N -1 3 367.431 0.659 10 0 FCAEHM COc1nnc(NC(=O)[C@H](CSC)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)[n-]1 ZINC000542774555 490908237 /nfs/dbraw/zinc/90/82/37/490908237.db2.gz FDFZODIXCPIWKB-AEJSXWLSSA-N -1 3 367.431 0.659 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@H](CSC)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)n1 ZINC000542774555 490908238 /nfs/dbraw/zinc/90/82/38/490908238.db2.gz FDFZODIXCPIWKB-AEJSXWLSSA-N -1 3 367.431 0.659 10 0 FCAEHM CCn1nnc(C)c1Cn1cc(I)c(=O)[n-]c1=O ZINC000565242305 491363975 /nfs/dbraw/zinc/36/39/75/491363975.db2.gz NITBCOJZTIOXNW-UHFFFAOYSA-N -1 3 361.143 0.522 10 0 FCAEHM CNC(=O)[C@@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1cccc(C)c1F ZINC000542873965 490913446 /nfs/dbraw/zinc/91/34/46/490913446.db2.gz LBGYIFCSJOFZMH-NSHDSACASA-N -1 3 357.407 0.149 10 0 FCAEHM O=C1CCc2cc(S(=O)(=O)[N-]CCCn3ccnn3)c(F)cc2N1 ZINC000543203429 490925065 /nfs/dbraw/zinc/92/50/65/490925065.db2.gz RIZFJHYEADCTIW-UHFFFAOYSA-N -1 3 353.379 0.671 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]c1ccc(CC(=O)NCCO)cc1)C1CC1 ZINC000518376083 490938545 /nfs/dbraw/zinc/93/85/45/490938545.db2.gz XMJYDCSSDKPJIV-OAHLLOKOSA-N -1 3 356.444 0.504 10 0 FCAEHM COC(=O)c1ccc(-c2nc(CN3CCN4C(=O)[N-]C(=O)[C@H]4C3)co2)cc1 ZINC000543902828 490951325 /nfs/dbraw/zinc/95/13/25/490951325.db2.gz JSGRPASOBXCNEP-CQSZACIVSA-N -1 3 370.365 0.864 10 0 FCAEHM CCN(CC)C(=O)CCC1CCN(C(=O)CN2CC(=O)[N-]C2=O)CC1 ZINC000543926270 490951644 /nfs/dbraw/zinc/95/16/44/490951644.db2.gz KLEUSPXDVUQBHD-UHFFFAOYSA-N -1 3 352.435 0.425 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CNCCC2(F)F)cc1OC ZINC000518978032 490957544 /nfs/dbraw/zinc/95/75/44/490957544.db2.gz AEWMBZPFYILSKO-GFCCVEGCSA-N -1 3 364.370 0.757 10 0 FCAEHM CC(=O)N1CC[C@@H](CNC(=O)C[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000518990706 490958457 /nfs/dbraw/zinc/95/84/57/490958457.db2.gz NBFHHOXSTMPXBM-LBPRGKRZSA-N -1 3 357.407 0.089 10 0 FCAEHM O=S(=O)([N-]CC(F)F)c1cccc(S(=O)(=O)N2CCCOC2)c1 ZINC000519425103 490971677 /nfs/dbraw/zinc/97/16/77/490971677.db2.gz IKYMHIADVXROMQ-UHFFFAOYSA-N -1 3 370.399 0.599 10 0 FCAEHM COCCN1CCC[C@H]1C[N-]S(=O)(=O)c1ccc(C(=O)OC)s1 ZINC000519433044 490972152 /nfs/dbraw/zinc/97/21/52/490972152.db2.gz NMTDPVSROMAUAB-NSHDSACASA-N -1 3 362.473 0.924 10 0 FCAEHM Cn1cnc(C[N-]S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)n1 ZINC000544653733 490974643 /nfs/dbraw/zinc/97/46/43/490974643.db2.gz TXNOUSJSXDENPW-UHFFFAOYSA-N -1 3 361.427 0.519 10 0 FCAEHM CCC(C)(C)NC(=O)Cn1cc(I)c(=O)[n-]c1=O ZINC000519542143 490975092 /nfs/dbraw/zinc/97/50/92/490975092.db2.gz FFCQUVLHGDYRCR-UHFFFAOYSA-N -1 3 365.171 0.858 10 0 FCAEHM COC(=O)[C@H]([N-]S(=O)(=O)CCCS(C)(=O)=O)C1CCCCC1 ZINC000532297651 490990621 /nfs/dbraw/zinc/99/06/21/490990621.db2.gz QAWNKLHCVPLDDM-GFCCVEGCSA-N -1 3 355.478 0.462 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]Cc2ccc3c(c2)CCS3(=O)=O)c1 ZINC000532320419 490991015 /nfs/dbraw/zinc/99/10/15/490991015.db2.gz RQGPNXCZBRBRQU-UHFFFAOYSA-N -1 3 355.441 0.711 10 0 FCAEHM O=C(Nc1ccc(F)cc1)C1(C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)CC1 ZINC000532356624 490991579 /nfs/dbraw/zinc/99/15/79/490991579.db2.gz MWTXMLACZJULBM-LBPRGKRZSA-N -1 3 360.345 0.307 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)NCC2(CO)CC3(CCC3)C2)cn1C ZINC000562601329 491175972 /nfs/dbraw/zinc/17/59/72/491175972.db2.gz HNSPXKDDVLKAMZ-UHFFFAOYSA-N -1 3 370.475 0.066 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)c2ccnc(N3CCCCC3)n2)nc1=N ZINC000565367588 491372484 /nfs/dbraw/zinc/37/24/84/491372484.db2.gz GQSITJVWQHNQNI-CYBMUJFWSA-N -1 3 356.434 0.985 10 0 FCAEHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)CNC(=O)c1cccnc1 ZINC000673507990 493337411 /nfs/dbraw/zinc/33/74/11/493337411.db2.gz FFRZIBDRINGIAD-NEPJUHHUSA-N -1 3 371.397 0.692 10 0 FCAEHM C[C@@]1(c2cccc(C(=O)NC[C@@H](CO)c3cccnc3)c2)NC(=O)[N-]C1=O ZINC000572554997 491378806 /nfs/dbraw/zinc/37/88/06/491378806.db2.gz NGHYGUUQAGKUEX-LIRRHRJNSA-N -1 3 368.393 0.642 10 0 FCAEHM O=C([C@@H]1CC(=O)N(c2ccccc2)C1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000572708868 491388016 /nfs/dbraw/zinc/38/80/16/491388016.db2.gz PGCJAANUBGVBPN-KZULUSFZSA-N -1 3 356.382 0.240 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]c1cccc(NC(=O)NCC(N)=O)c1)C1CC1 ZINC000565716755 491395311 /nfs/dbraw/zinc/39/53/11/491395311.db2.gz YSTZEMALMPQROD-CYBMUJFWSA-N -1 3 370.431 0.460 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-]Cc2nc(-c3ccncc3)no2)C[C@H](C)O1 ZINC000557883392 491403532 /nfs/dbraw/zinc/40/35/32/491403532.db2.gz VDNWLMCSDIUVMQ-PHIMTYICSA-N -1 3 353.404 0.575 10 0 FCAEHM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)[N-][C@H]2CNCCC2(F)F)C1 ZINC000566224196 491427063 /nfs/dbraw/zinc/42/70/63/491427063.db2.gz HQMRDBQLVHCHMI-MNOVXSKESA-N -1 3 355.407 0.093 10 0 FCAEHM C[C@@H]1CN(C(=O)NCc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)CC(=O)N1C ZINC000558651062 491440397 /nfs/dbraw/zinc/44/03/97/491440397.db2.gz LYWDRTOOMGTMGE-ZMZPIMSZSA-N -1 3 373.413 0.113 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@H](CO)C1CCOCC1 ZINC000573645369 491445686 /nfs/dbraw/zinc/44/56/86/491445686.db2.gz GDZZMABGHAQYMD-GFCCVEGCSA-N -1 3 361.416 0.749 10 0 FCAEHM CC(C)[C@H](C)NC(=O)Cn1cc(I)c(=O)[n-]c1=O ZINC000566498532 491449048 /nfs/dbraw/zinc/44/90/48/491449048.db2.gz HISLVALKGWSLRG-ZETCQYMHSA-N -1 3 365.171 0.714 10 0 FCAEHM CN(C)c1nc(C(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)cc(=O)[n-]1 ZINC000558920523 491449156 /nfs/dbraw/zinc/44/91/56/491449156.db2.gz QONKIUAXODKFDV-SMDDNHRTSA-N -1 3 350.419 0.546 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)C2CN(CC(F)F)C2)s1 ZINC000559269052 491459924 /nfs/dbraw/zinc/45/99/24/491459924.db2.gz URSPREVNHLQKPV-UHFFFAOYSA-N -1 3 353.416 0.469 10 0 FCAEHM Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1 ZINC000567018698 491481024 /nfs/dbraw/zinc/48/10/24/491481024.db2.gz HNUUKYIRGANWGO-CYBMUJFWSA-N -1 3 363.443 0.917 10 0 FCAEHM Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1 ZINC000567018699 491481094 /nfs/dbraw/zinc/48/10/94/491481094.db2.gz HNUUKYIRGANWGO-ZDUSSCGKSA-N -1 3 363.443 0.917 10 0 FCAEHM Cc1sc(NCC2(N3CCOCC3)CCN(C)CC2)nc1C(=O)[O-] ZINC000574209937 491481324 /nfs/dbraw/zinc/48/13/24/491481324.db2.gz KAEHCKDCZCYMPK-UHFFFAOYSA-N -1 3 354.476 1.358 10 0 FCAEHM CN(C)C(=O)c1cccc(NC(=O)CN2CCC[C@H]2c2nc(=N)n(C)[n-]2)c1 ZINC000559760101 491497078 /nfs/dbraw/zinc/49/70/78/491497078.db2.gz IHGKUYBAUUJZEG-AWEZNQCLSA-N -1 3 371.445 0.705 10 0 FCAEHM O=C(NC[C@@H]1CCCS1(=O)=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000567639548 491519844 /nfs/dbraw/zinc/51/98/44/491519844.db2.gz BQRDEJWDWPVUPZ-GXTWGEPZSA-N -1 3 366.439 0.690 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccc(F)c(F)c1)N[C@H]1CCCNC1=O ZINC000574898999 491526760 /nfs/dbraw/zinc/52/67/60/491526760.db2.gz NYNDETRAIGHRNL-LBPRGKRZSA-N -1 3 361.370 0.028 10 0 FCAEHM Cn1cc(Br)c(C[N-]S(=O)(=O)c2cnc3n2CCC3)n1 ZINC000560318623 491530916 /nfs/dbraw/zinc/53/09/16/491530916.db2.gz ZDFXPXHDFDFGNS-UHFFFAOYSA-N -1 3 360.237 0.804 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000560344773 491532897 /nfs/dbraw/zinc/53/28/97/491532897.db2.gz KXSWTESJSRTITA-SSDOTTSWSA-N -1 3 368.191 0.108 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000560344773 491532899 /nfs/dbraw/zinc/53/28/99/491532899.db2.gz KXSWTESJSRTITA-SSDOTTSWSA-N -1 3 368.191 0.108 10 0 FCAEHM CCOC(=O)[C@H]([N-]S(=O)(=O)CCN(CC)CC)[C@@H]1CCCOC1 ZINC000568010309 491547107 /nfs/dbraw/zinc/54/71/07/491547107.db2.gz AFEXRTIEZUSSMG-ZIAGYGMSSA-N -1 3 350.481 0.606 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-][C@H](C(=O)OC)[C@H]2CCC[C@@H](OC)C2)c1 ZINC000568037493 491549501 /nfs/dbraw/zinc/54/95/01/491549501.db2.gz ADYGWRBMJRENMV-SCRDCRAPSA-N -1 3 359.448 0.928 10 0 FCAEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](CO)[C@H]1CCCOC1 ZINC000568264059 491563859 /nfs/dbraw/zinc/56/38/59/491563859.db2.gz TUWSVMYYCJDYBC-JQWIXIFHSA-N -1 3 360.388 0.669 10 0 FCAEHM CC1(CO)CN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]C2CC2)C1 ZINC000575881933 491567306 /nfs/dbraw/zinc/56/73/06/491567306.db2.gz BLCZLHZHLXVUJU-UHFFFAOYSA-N -1 3 360.457 0.130 10 0 FCAEHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC12CCOCC2 ZINC000683434899 493352599 /nfs/dbraw/zinc/35/25/99/493352599.db2.gz LKAATZRHOZTPFZ-UHFFFAOYSA-N -1 3 374.484 0.928 10 0 FCAEHM C[C@H]1CN(c2cccc3cnccc32)CCN1C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000576454778 491616049 /nfs/dbraw/zinc/61/60/49/491616049.db2.gz IUCDQYFDNYYVNX-WFASDCNBSA-N -1 3 367.409 0.870 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC(C)(CO)C2)cc1F ZINC000568883764 491617137 /nfs/dbraw/zinc/61/71/37/491617137.db2.gz SYRSNRMMCXUCRG-UHFFFAOYSA-N -1 3 366.436 0.590 10 0 FCAEHM CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1cscn1 ZINC000576515001 491621063 /nfs/dbraw/zinc/62/10/63/491621063.db2.gz WIMFPYYMYAKKPM-NXEZZACHSA-N -1 3 353.491 0.529 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-][C@@H]1CCCN(Cc2nccn2C)C1=O)C1CC1 ZINC000576633688 491631943 /nfs/dbraw/zinc/63/19/43/491631943.db2.gz LPXMILCHKQDBQG-KGLIPLIRSA-N -1 3 370.475 0.256 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)Nc2cnc(CC3CC3)nc2)cn1C ZINC000576724248 491639892 /nfs/dbraw/zinc/63/98/92/491639892.db2.gz RNFVEQJJUKNIHM-UHFFFAOYSA-N -1 3 364.431 0.388 10 0 FCAEHM CC(C)(C)N1CCc2nc(NC(=O)C[C@@H]3NC(=O)[N-]C3=O)sc2C1 ZINC000577723890 491645791 /nfs/dbraw/zinc/64/57/91/491645791.db2.gz ZGUMWWIUHBBOLA-VIFPVBQESA-N -1 3 351.432 0.836 10 0 FCAEHM CCN(CC)C(=O)CN1CCC([N-]S(=O)(=O)c2cn(CC)cn2)CC1 ZINC000578247431 491673211 /nfs/dbraw/zinc/67/32/11/491673211.db2.gz VODACYXQQCOGLI-UHFFFAOYSA-N -1 3 371.507 0.514 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCC[C@@H]2COCC[C@@H]21 ZINC000578584234 491680309 /nfs/dbraw/zinc/68/03/09/491680309.db2.gz HNWIDOXHZBSSDJ-OLZOCXBDSA-N -1 3 357.432 0.597 10 0 FCAEHM O=C(Cc1sccc1Br)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000578714579 491682741 /nfs/dbraw/zinc/68/27/41/491682741.db2.gz QUZRACNGXWVUHS-QMMMGPOBSA-N -1 3 358.217 0.816 10 0 FCAEHM O=C(N1CCC(c2n[nH]c(=O)[n-]2)CC1)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000579962533 491711669 /nfs/dbraw/zinc/71/16/69/491711669.db2.gz JCCUFACIWKVHKU-LJQANCHMSA-N -1 3 371.441 0.853 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-][C@H]2CCN(c3ccc(F)cc3)C2=O)C[C@@H](C)O1 ZINC000584769103 491713492 /nfs/dbraw/zinc/71/34/92/491713492.db2.gz KARSXSGBIRORDA-JMSVASOKSA-N -1 3 371.434 0.875 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-][C@H]2CCN(c3ccc(F)cc3)C2=O)C[C@H](C)O1 ZINC000584769106 491713600 /nfs/dbraw/zinc/71/36/00/491713600.db2.gz KARSXSGBIRORDA-ZOWXZIJZSA-N -1 3 371.434 0.875 10 0 FCAEHM CCOC(=O)c1cn[n-]c1S(=O)(=O)N1CCOc2ncccc2C1 ZINC000585708455 491723358 /nfs/dbraw/zinc/72/33/58/491723358.db2.gz LBCRMLDFQDGUSR-UHFFFAOYSA-N -1 3 352.372 0.565 10 0 FCAEHM CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CCOc2ncccc2C1 ZINC000585708455 491723361 /nfs/dbraw/zinc/72/33/61/491723361.db2.gz LBCRMLDFQDGUSR-UHFFFAOYSA-N -1 3 352.372 0.565 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N(C)Cc1cnccc1C ZINC000580264909 491723504 /nfs/dbraw/zinc/72/35/04/491723504.db2.gz VJFONTQPDUCFCI-UHFFFAOYSA-N -1 3 352.416 0.932 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]Cc1nnnn1C1CC1 ZINC000589223879 491757705 /nfs/dbraw/zinc/75/77/05/491757705.db2.gz XQJJXOYQRPZREL-UHFFFAOYSA-N -1 3 355.376 0.483 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@@H](C)[C@H]1CN(C)CCO1 ZINC000589225193 491757851 /nfs/dbraw/zinc/75/78/51/491757851.db2.gz MIJGUFXQDITYCL-JOYOIKCWSA-N -1 3 360.432 0.680 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)CNC(=O)c2ccc3c(c2)OCO3)nc1=N ZINC000581634227 491780973 /nfs/dbraw/zinc/78/09/73/491780973.db2.gz FINGYZOLPCBNNW-LLVKDONJSA-N -1 3 372.385 0.050 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C[C@H]1CCCS1(=O)=O ZINC000581971054 491792761 /nfs/dbraw/zinc/79/27/61/491792761.db2.gz GCZKNMCQIQGZCV-SNVBAGLBSA-N -1 3 365.429 0.539 10 0 FCAEHM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-][C@H](CC(C)(C)C)C(=O)OC ZINC000592075253 491830211 /nfs/dbraw/zinc/83/02/11/491830211.db2.gz JMJXNNSNFNUYHV-NEPJUHHUSA-N -1 3 364.464 0.826 10 0 FCAEHM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-][C@H](CC(C)(C)C)C(=O)OC ZINC000592075256 491830469 /nfs/dbraw/zinc/83/04/69/491830469.db2.gz JMJXNNSNFNUYHV-VXGBXAGGSA-N -1 3 364.464 0.826 10 0 FCAEHM COC(=O)c1nscc1S(=O)(=O)[N-]CC(C)(C)[C@@]1(O)CCOC1 ZINC000592086474 491831214 /nfs/dbraw/zinc/83/12/14/491831214.db2.gz JNSRIQTZQHUGLR-CYBMUJFWSA-N -1 3 364.445 0.386 10 0 FCAEHM COC(=O)[C@H]([N-]S(=O)(=O)c1cccc(N(C)C)c1)c1ccnn1C ZINC000592095352 491831930 /nfs/dbraw/zinc/83/19/30/491831930.db2.gz ZLQIZIABZJLEBP-CQSZACIVSA-N -1 3 352.416 0.679 10 0 FCAEHM Cc1c(CN(C)C(=O)C[N-]S(=O)(=O)c2ccccc2F)cnn1C ZINC000582936331 491833048 /nfs/dbraw/zinc/83/30/48/491833048.db2.gz HPNSDUOCGJTMKR-UHFFFAOYSA-N -1 3 354.407 0.805 10 0 FCAEHM CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000583092811 491837847 /nfs/dbraw/zinc/83/78/47/491837847.db2.gz ADCSZYWRWASRSN-MNOVXSKESA-N -1 3 354.432 0.507 10 0 FCAEHM Cc1cc(CS(=O)(=O)[N-]C[C@@H]2CCCCN2S(C)(=O)=O)on1 ZINC000584307266 491862720 /nfs/dbraw/zinc/86/27/20/491862720.db2.gz WHNISNWTVNNTOB-NSHDSACASA-N -1 3 351.450 0.217 10 0 FCAEHM COC(=O)c1occc1C[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000594860312 491867257 /nfs/dbraw/zinc/86/72/57/491867257.db2.gz MOKNAUSGCLECLK-UHFFFAOYSA-N -1 3 364.379 0.831 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C(=O)OC)nc2)c(C)o1 ZINC000611886105 491880595 /nfs/dbraw/zinc/88/05/95/491880595.db2.gz AHOMOZPBCMDVTH-UHFFFAOYSA-N -1 3 353.356 0.930 10 0 FCAEHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N1CC2CC1(C(=O)OC)C2 ZINC000595135014 491888783 /nfs/dbraw/zinc/88/87/83/491888783.db2.gz DYQSYKDZOVQYJA-UHFFFAOYSA-N -1 3 352.368 0.637 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-][C@@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000601343380 491906347 /nfs/dbraw/zinc/90/63/47/491906347.db2.gz NDJSVHXUKWNCCM-GFCCVEGCSA-N -1 3 370.402 0.804 10 0 FCAEHM CCOC(=O)[C@H](Cc1ccccn1)[N-]S(=O)(=O)CC1(N(C)C)CC1 ZINC000601403656 491913959 /nfs/dbraw/zinc/91/39/59/491913959.db2.gz MUYNIFVPIZNEHP-AWEZNQCLSA-N -1 3 355.460 0.569 10 0 FCAEHM CCOC(=O)[C@@H](Cc1ccccn1)[N-]S(=O)(=O)CC1(N(C)C)CC1 ZINC000601403657 491914127 /nfs/dbraw/zinc/91/41/27/491914127.db2.gz MUYNIFVPIZNEHP-CQSZACIVSA-N -1 3 355.460 0.569 10 0 FCAEHM CCOC(=O)COCC[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000601429076 491917946 /nfs/dbraw/zinc/91/79/46/491917946.db2.gz RLHZIZNDNHOJSB-UHFFFAOYSA-N -1 3 359.326 0.297 10 0 FCAEHM CCc1nc(S(=O)(=O)[N-]C(C)(C)[C@H](O)C(=O)OC)cn1CC1CC1 ZINC000595328078 491919875 /nfs/dbraw/zinc/91/98/75/491919875.db2.gz RMTFSNYZLWOHBQ-CYBMUJFWSA-N -1 3 359.448 0.446 10 0 FCAEHM COC(=O)c1cnc([C@@H](C)[N-]S(=O)(=O)C[C@H]2CN(C)CCO2)s1 ZINC000601447757 491920936 /nfs/dbraw/zinc/92/09/36/491920936.db2.gz VIXXFGYECQXIJX-NXEZZACHSA-N -1 3 363.461 0.241 10 0 FCAEHM CCOC(=O)[C@@]1(C[N-]S(=O)(=O)c2cn(CC)c(C)n2)CCCOC1 ZINC000601520041 491931104 /nfs/dbraw/zinc/93/11/04/491931104.db2.gz ZLSCMJRXNDIDCZ-OAHLLOKOSA-N -1 3 359.448 0.850 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)c2cc(-n3ccnn3)ccc2F)nc1=N ZINC000614427125 492029361 /nfs/dbraw/zinc/02/93/61/492029361.db2.gz OAQMWECMIGSPDK-ZDUSSCGKSA-N -1 3 356.365 0.925 10 0 FCAEHM C[C@@H](NC(=O)COCc1nccn1C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000614823266 492057952 /nfs/dbraw/zinc/05/79/52/492057952.db2.gz DROVXPFJRMDCDP-VXGBXAGGSA-N -1 3 361.402 0.817 10 0 FCAEHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)[C@H]1CCN=C2C1=NNN2C ZINC000614826417 492058415 /nfs/dbraw/zinc/05/84/15/492058415.db2.gz MKQUDUXWNMNYET-VWYCJHECSA-N -1 3 373.417 0.091 10 0 FCAEHM CC1CCC2(CC1)NC(=O)N(CC(=O)NCCCc1cc(=O)[nH][n-]1)C2=O ZINC000614922546 492064263 /nfs/dbraw/zinc/06/42/63/492064263.db2.gz PLYDQZWPEMXNIV-UHFFFAOYSA-N -1 3 363.418 0.259 10 0 FCAEHM COc1ccc([C@H]2[C@H](C(=O)NCCCc3cc(=O)[nH][n-]3)CC(=O)N2C)cc1 ZINC000614920890 492064637 /nfs/dbraw/zinc/06/46/37/492064637.db2.gz IHIKZJILVBSIFD-QAPCUYQASA-N -1 3 372.425 0.987 10 0 FCAEHM C[C@@H]1CCCN(C(=O)CC[C@@H]2NC(=O)[N-]C2=O)[C@@H]1C(=O)OC(C)(C)C ZINC000597798203 492067191 /nfs/dbraw/zinc/06/71/91/492067191.db2.gz QSQFMWHSLWZOIF-MDZLAQPJSA-N -1 3 353.419 0.943 10 0 FCAEHM Cc1nn(C)c(C)c1C(=O)NC1(C(=O)[N-]c2nnc3[nH]cnn23)CCCC1 ZINC000614991153 492067919 /nfs/dbraw/zinc/06/79/19/492067919.db2.gz OGGGZQBLTMRRCQ-UHFFFAOYSA-N -1 3 371.405 0.484 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[C@@H]2C(F)(F)F)cn1C ZINC000615032857 492069977 /nfs/dbraw/zinc/06/99/77/492069977.db2.gz JSOYBGQVSPQAMX-SECBINFHSA-N -1 3 354.354 0.560 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CCn2nnc(CO)c2C1 ZINC000615097099 492073406 /nfs/dbraw/zinc/07/34/06/492073406.db2.gz VMHZSMBAUYDVPD-UHFFFAOYSA-N -1 3 369.385 0.291 10 0 FCAEHM O=C(c1sccc1S(=O)(=O)[N-]Cc1ccco1)N1CCOCCN1 ZINC000615489822 492092576 /nfs/dbraw/zinc/09/25/76/492092576.db2.gz HKDNYGRPQCJILK-UHFFFAOYSA-N -1 3 371.440 0.797 10 0 FCAEHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]CCC1CS(=O)(=O)C1 ZINC000615747086 492101241 /nfs/dbraw/zinc/10/12/41/492101241.db2.gz CKEFMZAIMXULQF-UHFFFAOYSA-N -1 3 365.404 0.325 10 0 FCAEHM Cn1cc(C(=O)NC2(C(=O)OC(C)(C)C)CCOCC2)c(=O)[n-]c1=O ZINC000598526328 492103495 /nfs/dbraw/zinc/10/34/95/492103495.db2.gz VQWSBKHHHKMLOL-UHFFFAOYSA-N -1 3 353.375 0.107 10 0 FCAEHM COC(=O)c1cnc([C@H]2CCCN(C(=O)CN3CC(=O)[N-]C3=O)C2)s1 ZINC000598555527 492104862 /nfs/dbraw/zinc/10/48/62/492104862.db2.gz WXJGCFHULMPRMT-VIFPVBQESA-N -1 3 366.399 0.188 10 0 FCAEHM COC(=O)[C@H](C)CN(Cc1ccccc1)Cc1cc(=O)n2nc(N)[n-]c2n1 ZINC000598589677 492106207 /nfs/dbraw/zinc/10/62/07/492106207.db2.gz KNFUKCREWBLZRU-GFCCVEGCSA-N -1 3 370.413 0.641 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)[n-]1 ZINC000615919372 492107724 /nfs/dbraw/zinc/10/77/24/492107724.db2.gz GQULAKQDFAMEQL-NSHDSACASA-N -1 3 365.434 0.882 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)c2ccc3c(c2)CCN3C(C)=O)[n-]1 ZINC000615920134 492107917 /nfs/dbraw/zinc/10/79/17/492107917.db2.gz RNKIEXHIROAXGN-UHFFFAOYSA-N -1 3 357.370 0.820 10 0 FCAEHM CCOC(=O)[C@@H](NCc1cc(=O)n2nc(N)[n-]c2n1)C1CCCCCC1 ZINC000598622711 492109684 /nfs/dbraw/zinc/10/96/84/492109684.db2.gz NWUOMBCIOHPFCX-AWEZNQCLSA-N -1 3 362.434 0.822 10 0 FCAEHM COC(=O)C[C@](C)(NC(=O)CC[C@@H]1NC(=O)[N-]C1=O)c1cccc(F)c1 ZINC000616172579 492119942 /nfs/dbraw/zinc/11/99/42/492119942.db2.gz WRVOWHNEFRFWAA-SJCJKPOMSA-N -1 3 365.361 0.708 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]CC(=O)N2CCCCC2)on1 ZINC000599216706 492144032 /nfs/dbraw/zinc/14/40/32/492144032.db2.gz SRHNQVOXXNDJHL-UHFFFAOYSA-N -1 3 359.404 0.283 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]CC(=O)NC2CCCC2)on1 ZINC000599225956 492145353 /nfs/dbraw/zinc/14/53/53/492145353.db2.gz PWQOYFUKKHVEQD-UHFFFAOYSA-N -1 3 359.404 0.330 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]Cc2ccccc2CO)on1 ZINC000599246166 492148238 /nfs/dbraw/zinc/14/82/38/492148238.db2.gz YQNUKPVWIPTHHL-UHFFFAOYSA-N -1 3 354.384 0.963 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H]2CCN(C(=O)CC)C2)on1 ZINC000599258855 492150443 /nfs/dbraw/zinc/15/04/43/492150443.db2.gz PEFBCTBOACHCKI-SNVBAGLBSA-N -1 3 359.404 0.282 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H](CCO)c2ccco2)on1 ZINC000599279546 492153667 /nfs/dbraw/zinc/15/36/67/492153667.db2.gz UKXXINZZTNTDIO-NSHDSACASA-N -1 3 358.372 0.987 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NC[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000617118010 492155619 /nfs/dbraw/zinc/15/56/19/492155619.db2.gz GYKRWNJUHBSNSM-NSHDSACASA-N -1 3 350.806 0.834 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]Cc2ccc(C)n(C)c2=O)on1 ZINC000599290941 492155760 /nfs/dbraw/zinc/15/57/60/492155760.db2.gz FQDUBXGSYSGRIH-UHFFFAOYSA-N -1 3 369.399 0.478 10 0 FCAEHM COC(=O)c1cn(CC[N-]S(=O)(=O)c2ccc(C)c(F)c2F)nn1 ZINC000599302617 492156969 /nfs/dbraw/zinc/15/69/69/492156969.db2.gz IDUOMOORFMJAAF-UHFFFAOYSA-N -1 3 360.342 0.630 10 0 FCAEHM COC[C@H](CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F)OC ZINC000617228386 492160229 /nfs/dbraw/zinc/16/02/29/492160229.db2.gz KKXHOBDXOYWVEH-RYUDHWBXSA-N -1 3 362.423 0.660 10 0 FCAEHM COC[C@H](CCNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)OC ZINC000617233119 492160584 /nfs/dbraw/zinc/16/05/84/492160584.db2.gz OQVBRODOXYIQAO-VIFPVBQESA-N -1 3 370.880 0.848 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](Cn3ccnn3)C2)c(C)o1 ZINC000617260121 492161796 /nfs/dbraw/zinc/16/17/96/492161796.db2.gz OHEOPAUQFOYNLQ-LLVKDONJSA-N -1 3 353.404 0.250 10 0 FCAEHM O=S(=O)([N-]CCCN1CCCS1(=O)=O)c1cc(F)c(F)c(F)c1 ZINC000608023027 492162896 /nfs/dbraw/zinc/16/28/96/492162896.db2.gz VYAPOJIYUDYKHN-UHFFFAOYSA-N -1 3 372.390 0.808 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]Cc2cc(OC)ccn2)on1 ZINC000599344853 492163180 /nfs/dbraw/zinc/16/31/80/492163180.db2.gz IYIWABNXDQDBDV-UHFFFAOYSA-N -1 3 355.372 0.875 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]CCO[C@H]2CC2(F)F)on1 ZINC000599351470 492163377 /nfs/dbraw/zinc/16/33/77/492163377.db2.gz FUTLVQOPSNKQDO-JTQLQIEISA-N -1 3 354.331 0.695 10 0 FCAEHM CC[C@H](COCC1CC1)NC(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000617328726 492164153 /nfs/dbraw/zinc/16/41/53/492164153.db2.gz NOQALBIJSFHJQG-CYBMUJFWSA-N -1 3 358.464 0.328 10 0 FCAEHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]C[C@H](O)[C@@H]2CCCO2)s1 ZINC000599390914 492166885 /nfs/dbraw/zinc/16/68/85/492166885.db2.gz GRNMRYIIXPKLTH-IUCAKERBSA-N -1 3 365.429 0.362 10 0 FCAEHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H](O)[C@@H]1CCCO1 ZINC000599392314 492167196 /nfs/dbraw/zinc/16/71/96/492167196.db2.gz QPLPAVAGKBKNCG-RYUDHWBXSA-N -1 3 363.819 0.945 10 0 FCAEHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](O)[C@@H]1CCCO1 ZINC000599392351 492167348 /nfs/dbraw/zinc/16/73/48/492167348.db2.gz RKFCYTGRZFJCGO-NEPJUHHUSA-N -1 3 363.819 0.945 10 0 FCAEHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@H](O)[C@@H]2CCCO2)c1 ZINC000599392463 492167483 /nfs/dbraw/zinc/16/74/83/492167483.db2.gz SVLLPZJYOOQBEP-KBPBESRZSA-N -1 3 361.391 0.821 10 0 FCAEHM C[C@H]1C[C@H](NC(=O)C[N-]S(=O)(=O)c2ccccc2F)c2ncnn21 ZINC000617427800 492168340 /nfs/dbraw/zinc/16/83/40/492168340.db2.gz MCCUOHREYHEVDA-ONGXEEELSA-N -1 3 353.379 0.518 10 0 FCAEHM COC[C@H](C)CS(=O)(=O)[N-][C@H](Cc1cccc(OC)c1)C(=O)OC ZINC000599404411 492169008 /nfs/dbraw/zinc/16/90/08/492169008.db2.gz VDRSKYQNORVDMS-SWLSCSKDSA-N -1 3 359.444 0.981 10 0 FCAEHM COC(=O)[C@H](Cc1cccc(OC)c1)[N-]S(=O)(=O)N(C)CC1CC1 ZINC000599405284 492169095 /nfs/dbraw/zinc/16/90/95/492169095.db2.gz TXLCYRYBYHRHPC-HNNXBMFYSA-N -1 3 356.444 0.956 10 0 FCAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C[C@@H]1COCCN1C ZINC000599453596 492174410 /nfs/dbraw/zinc/17/44/10/492174410.db2.gz UZPNNOKTLUXQSE-NXEZZACHSA-N -1 3 362.370 0.121 10 0 FCAEHM CO[C@@H]1CCC[C@@H]([C@H](CO)NC(=O)CNC(=O)c2cccc([O-])c2)C1 ZINC000617538034 492175145 /nfs/dbraw/zinc/17/51/45/492175145.db2.gz XRLAIJKHOMZRKZ-WQVCFCJDSA-N -1 3 350.415 0.804 10 0 FCAEHM CCOC(=O)CCS(=O)(=O)[N-][C@@H](C[C@@H]1CCCOC1)C(=O)OC ZINC000599460697 492176073 /nfs/dbraw/zinc/17/60/73/492176073.db2.gz OYQOZEAJXBBUNR-RYUDHWBXSA-N -1 3 351.421 0.217 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2c2nc(C)no2)oc1C ZINC000599518452 492182985 /nfs/dbraw/zinc/18/29/85/492182985.db2.gz HRMSBLLZIQTDLO-PWSUYJOCSA-N -1 3 371.371 0.875 10 0 FCAEHM COC(=O)c1sc2[n-]c(CN(C)[C@H]3C[C@@H](C(N)=O)C3)nc(=O)c2c1C ZINC000599644627 492196057 /nfs/dbraw/zinc/19/60/57/492196057.db2.gz KZJJVDSSUWWALA-DTORHVGOSA-N -1 3 364.427 0.775 10 0 FCAEHM C[C@@H]1COC2(CCC2)CN1C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000617950542 492207410 /nfs/dbraw/zinc/20/74/10/492207410.db2.gz FQDSFZAZWIGAGM-SECBINFHSA-N -1 3 372.219 0.881 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC(COC)(C3CCC3)C2)cn1 ZINC000617985447 492208085 /nfs/dbraw/zinc/20/80/85/492208085.db2.gz FWMPJBZGHNBVKQ-UHFFFAOYSA-N -1 3 353.444 0.878 10 0 FCAEHM C[C@]1(c2cccc(C(=O)NCCO[C@H]3CC3(F)F)c2)NC(=O)[N-]C1=O ZINC000618131638 492211467 /nfs/dbraw/zinc/21/14/67/492211467.db2.gz ISJCMLUUTFIBAK-XHDPSFHLSA-N -1 3 353.325 0.895 10 0 FCAEHM C[C@@H]1CN(C(=O)CC[N-]S(=O)(=O)c2ccccc2F)C[C@H](C)[C@H]1O ZINC000618258880 492219054 /nfs/dbraw/zinc/21/90/54/492219054.db2.gz XAPIHUVVSFATIS-ATCWAGBWSA-N -1 3 358.435 0.969 10 0 FCAEHM C[C@@H]1CN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C[C@H](C)[C@H]1O ZINC000618260372 492219477 /nfs/dbraw/zinc/21/94/77/492219477.db2.gz UHTHZTDYTFBQQV-VROVMSAKSA-N -1 3 360.208 0.187 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCC(=O)N(C)CC1 ZINC000619050926 492248359 /nfs/dbraw/zinc/24/83/59/492248359.db2.gz SWHRRBRKPXRQLN-NSHDSACASA-N -1 3 357.407 0.183 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@H]1C[C@H](O)C12CCC2 ZINC000619092307 492250180 /nfs/dbraw/zinc/25/01/80/492250180.db2.gz XMTLYYXTLBCDDJ-IUCAKERBSA-N -1 3 358.192 0.131 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)NC2CCC3(CC3(F)F)CC2)c1 ZINC000619232191 492255277 /nfs/dbraw/zinc/25/52/77/492255277.db2.gz GHWHIOLKLSQCLM-UHFFFAOYSA-N -1 3 362.402 0.783 10 0 FCAEHM COC(=O)[C@H](C[C@@H]1CCCOC1)NC(=O)CNC(=O)c1cccc([O-])c1 ZINC000600453183 492270742 /nfs/dbraw/zinc/27/07/42/492270742.db2.gz FDMIFIAZFAAKCQ-WFASDCNBSA-N -1 3 364.398 0.597 10 0 FCAEHM O=C(NC[C@]1(CO)COCCN1Cc1ccccc1)c1cncc([O-])c1 ZINC000619942280 492283793 /nfs/dbraw/zinc/28/37/93/492283793.db2.gz RCNJQMPPBLJGGP-IBGZPJMESA-N -1 3 357.410 0.781 10 0 FCAEHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]CCc2nnnn2C)c1 ZINC000611511897 492289226 /nfs/dbraw/zinc/28/92/26/492289226.db2.gz JIXPDSADDJPBNE-UHFFFAOYSA-N -1 3 357.367 0.047 10 0 FCAEHM CC1(C)[C@@H](c2ccccc2)[C@@H]1NC(=O)C(=O)NCc1nc(CN)cc(=O)[n-]1 ZINC000627430361 492292914 /nfs/dbraw/zinc/29/29/14/492292914.db2.gz UWPMDTMBBPHTCK-HOTGVXAUSA-N -1 3 369.425 0.566 10 0 FCAEHM CCNC(=O)CN1CCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000620199248 492298501 /nfs/dbraw/zinc/29/85/01/492298501.db2.gz SHXBXYGTGCZWJG-UHFFFAOYSA-N -1 3 356.426 0.812 10 0 FCAEHM C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647581979 492324088 /nfs/dbraw/zinc/32/40/88/492324088.db2.gz WLFUTDKRVZMGBG-ARILJUKYSA-N -1 3 353.463 0.839 10 0 FCAEHM C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)C[C@H]1C(=O)[O-] ZINC000647588160 492327298 /nfs/dbraw/zinc/32/72/98/492327298.db2.gz IMDMHFJANSIRLC-MCIONIFRSA-N -1 3 353.463 0.792 10 0 FCAEHM Cc1cc(S(=O)(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)ccc1C(=O)[O-] ZINC000647606700 492334118 /nfs/dbraw/zinc/33/41/18/492334118.db2.gz JGDXXDLJVSWJKH-GFCCVEGCSA-N -1 3 369.443 0.434 10 0 FCAEHM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000647606911 492334173 /nfs/dbraw/zinc/33/41/73/492334173.db2.gz UFQVQGVFFACPCT-GFCCVEGCSA-N -1 3 369.443 0.434 10 0 FCAEHM C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000647673849 492343676 /nfs/dbraw/zinc/34/36/76/492343676.db2.gz WDEBJYBPVHYGJR-SNVBAGLBSA-N -1 3 359.386 0.154 10 0 FCAEHM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC2(CCCC2)OC[C@H]1CN(C)C ZINC000620911591 492344451 /nfs/dbraw/zinc/34/44/51/492344451.db2.gz GNXMKUZTMZIHTF-LLVKDONJSA-N -1 3 366.418 0.612 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CC[C@@H]1C(F)(F)F ZINC000647752619 492355556 /nfs/dbraw/zinc/35/55/56/492355556.db2.gz BBUPGXVMENPRQA-ZCFIWIBFSA-N -1 3 356.098 0.875 10 0 FCAEHM COCCCn1c(=O)c2ccccc2nc1-n1[n-]c2c(c1=O)CNCC2 ZINC000634587179 492356307 /nfs/dbraw/zinc/35/63/07/492356307.db2.gz GRSQJGUCVBFZMC-ZDUSSCGKSA-N -1 3 355.398 0.745 10 0 FCAEHM COCCCn1c(=O)c2ccccc2nc1-n1[n-]c2c(c1=O)CNCC2 ZINC000634587178 492356582 /nfs/dbraw/zinc/35/65/82/492356582.db2.gz GRSQJGUCVBFZMC-CYBMUJFWSA-N -1 3 355.398 0.745 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@@H]2CCn3cncc3C2)coc1C(=O)N(C)C ZINC000634661134 492359261 /nfs/dbraw/zinc/35/92/61/492359261.db2.gz KIUIACNITLHVAK-LLVKDONJSA-N -1 3 352.416 0.780 10 0 FCAEHM O=C(CCc1ccc2c(c1)OC(F)(F)O2)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000654856684 492361068 /nfs/dbraw/zinc/36/10/68/492361068.db2.gz AWUMGTVCRCXETQ-SNVBAGLBSA-N -1 3 367.308 0.703 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N2CC3CC2(C)C3)s1 ZINC000621214130 492362365 /nfs/dbraw/zinc/36/23/65/492362365.db2.gz OCIHJXTYHSYZQW-UHFFFAOYSA-N -1 3 371.484 0.673 10 0 FCAEHM CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC[C@@H]1CC1(F)F ZINC000621304968 492373012 /nfs/dbraw/zinc/37/30/12/492373012.db2.gz MLINERUUTQAPQV-SECBINFHSA-N -1 3 354.400 0.918 10 0 FCAEHM COc1ccccc1-c1nc(NC(=O)C2(n3cnnn3)CCOCC2)n[n-]1 ZINC000621562013 492392920 /nfs/dbraw/zinc/39/29/20/492392920.db2.gz BPXZCRWFQHLKEC-UHFFFAOYSA-N -1 3 370.373 0.611 10 0 FCAEHM Cc1c2ccccc2c(=O)oc1C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000655039028 492395019 /nfs/dbraw/zinc/39/50/19/492395019.db2.gz WHYXBFFCQPRDPI-GOSISDBHSA-N -1 3 355.350 0.916 10 0 FCAEHM CO[C@@](C)(CO)CNC(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000655207138 492413814 /nfs/dbraw/zinc/41/38/14/492413814.db2.gz XJPRZVAMNGEPLT-CQSZACIVSA-N -1 3 366.386 0.147 10 0 FCAEHM Cc1nnc2n1C[C@@H](C(=O)Nc1cc3c(cc1[O-])n(C)c(=O)n3C)CC2 ZINC000643039816 492415388 /nfs/dbraw/zinc/41/53/88/492415388.db2.gz GHTDQSCTWOLGET-JTQLQIEISA-N -1 3 356.386 0.684 10 0 FCAEHM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621853960 492426955 /nfs/dbraw/zinc/42/69/55/492426955.db2.gz DISWNPLCZOKIOA-GFCCVEGCSA-N -1 3 373.331 0.878 10 0 FCAEHM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621853961 492426979 /nfs/dbraw/zinc/42/69/79/492426979.db2.gz DISWNPLCZOKIOA-LBPRGKRZSA-N -1 3 373.331 0.878 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)Nc2cn(C)nc2C2CC2)cn1C ZINC000643296163 492438079 /nfs/dbraw/zinc/43/80/79/492438079.db2.gz NUAQHABQMOJGRF-UHFFFAOYSA-N -1 3 366.447 0.647 10 0 FCAEHM Cc1cccc2c(=O)c(C(=O)N3CCN(c4nncn4C)CC3)c[n-]c12 ZINC000655410073 492440989 /nfs/dbraw/zinc/44/09/89/492440989.db2.gz QPHPZWASVYJLEP-UHFFFAOYSA-N -1 3 352.398 0.927 10 0 FCAEHM COc1ccc2c(c1)[n-]cc(C(=O)N1CC(C3CS(=O)(=O)C3)C1)c2=O ZINC000622085914 492453384 /nfs/dbraw/zinc/45/33/84/492453384.db2.gz JHZYNSPKNLUAIZ-UHFFFAOYSA-N -1 3 362.407 0.653 10 0 FCAEHM COc1ccc2c(c1)[n-]cc(C(=O)NC[C@@]1(OCCO)CCOC1)c2=O ZINC000622143722 492458636 /nfs/dbraw/zinc/45/86/36/492458636.db2.gz GOKZJBYZQQJCMP-SFHVURJKSA-N -1 3 362.382 0.435 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCC(c2ccon2)CC1 ZINC000622179947 492464087 /nfs/dbraw/zinc/46/40/87/492464087.db2.gz UYVIFLOUMDAEIQ-UHFFFAOYSA-N -1 3 368.415 0.964 10 0 FCAEHM Cc1cccc2c(=O)c(C(=O)N3CCN(S(C)(=O)=O)[C@H](C)C3)c[n-]c12 ZINC000622172277 492464114 /nfs/dbraw/zinc/46/41/14/492464114.db2.gz HAUKLMGLHWFVFT-GFCCVEGCSA-N -1 3 363.439 0.942 10 0 FCAEHM CO[C@](C)(CO)C[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000655622923 492465321 /nfs/dbraw/zinc/46/53/21/492465321.db2.gz XHKHQXMHVRLXJY-AWEZNQCLSA-N -1 3 362.835 0.900 10 0 FCAEHM O=C1Nc2ccccc2CC[C@@H]1[N-]S(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000655626249 492466658 /nfs/dbraw/zinc/46/66/58/492466658.db2.gz CYZFAWJPSMMUOP-AWEZNQCLSA-N -1 3 372.468 0.437 10 0 FCAEHM O=C1Nc2ccccc2CC[C@H]1[N-]S(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000655626575 492466724 /nfs/dbraw/zinc/46/67/24/492466724.db2.gz CYZFAWJPSMMUOP-CQSZACIVSA-N -1 3 372.468 0.437 10 0 FCAEHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-][C@@H]3CCc4c(nnn4C)C3)cn21 ZINC000655649031 492471792 /nfs/dbraw/zinc/47/17/92/492471792.db2.gz VPHMOCGMVCYCKE-GHMZBOCLSA-N -1 3 350.448 0.745 10 0 FCAEHM Cn1cnc(CCCNC(=O)c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)n1 ZINC000648986152 492481611 /nfs/dbraw/zinc/48/16/11/492481611.db2.gz WXJHBXKUUWSJHM-KRWDZBQOSA-N -1 3 356.386 0.232 10 0 FCAEHM CCCC[C@@](C)(CO)NC(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000649034774 492484711 /nfs/dbraw/zinc/48/47/11/492484711.db2.gz YYRVEZHPMZNNDL-HNNXBMFYSA-N -1 3 360.480 0.454 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)NCC[C@H]2CCCOC2)cn1C ZINC000628306311 492492439 /nfs/dbraw/zinc/49/24/39/492492439.db2.gz VLWITLAXMPIVOQ-CYBMUJFWSA-N -1 3 358.464 0.330 10 0 FCAEHM CC(C)(CNC(=O)C[N-]S(=O)(=O)c1cccs1)[C@]1(O)CCOC1 ZINC000649094758 492499109 /nfs/dbraw/zinc/49/91/09/492499109.db2.gz GYHBSFFTXFNHOZ-AWEZNQCLSA-N -1 3 362.473 0.320 10 0 FCAEHM CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000649147470 492505525 /nfs/dbraw/zinc/50/55/25/492505525.db2.gz NYODKTDFEGFDNL-HNNXBMFYSA-N -1 3 369.299 0.711 10 0 FCAEHM CCn1c(=O)[n-]c(=O)c2c(C(=O)N3CN(C)C(=O)[C@@H]3C)cc(C3CC3)nc21 ZINC000649160065 492506944 /nfs/dbraw/zinc/50/69/44/492506944.db2.gz BMKSTCQMFJFYRD-VIFPVBQESA-N -1 3 371.397 0.655 10 0 FCAEHM CC(C)[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(C)C)C(=O)[O-] ZINC000656009909 492515126 /nfs/dbraw/zinc/51/51/26/492515126.db2.gz IDESRULFAZNDRX-ILXRZTDVSA-N -1 3 353.463 0.933 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC[C@@H](O)[C@H]1CCCO1 ZINC000628594018 492527538 /nfs/dbraw/zinc/52/75/38/492527538.db2.gz YWPDSRTVTOXSHG-CYZMBNFOSA-N -1 3 360.407 0.149 10 0 FCAEHM CN1Cc2ccccc2[C@@H]([N-]S(=O)(=O)c2cnn3c2OCCC3)C1=O ZINC000623239673 492532360 /nfs/dbraw/zinc/53/23/60/492532360.db2.gz PMAAAPKNTDGNCI-CQSZACIVSA-N -1 3 362.411 0.657 10 0 FCAEHM O=C(N[C@@H]1CCN(c2ccc3nncn3n2)C1)c1cc(F)cc2nn[n-]c21 ZINC000628726020 492537950 /nfs/dbraw/zinc/53/79/50/492537950.db2.gz YYKNJRVZGHSZSM-SNVBAGLBSA-N -1 3 367.348 0.543 10 0 FCAEHM O=C(N[C@@H]1CCN(c2ccc3nncn3n2)C1)c1cc(F)cc2[n-]nnc21 ZINC000628726020 492537954 /nfs/dbraw/zinc/53/79/54/492537954.db2.gz YYKNJRVZGHSZSM-SNVBAGLBSA-N -1 3 367.348 0.543 10 0 FCAEHM O=C(N[C@@H]1CCN(c2ccc3nncn3n2)C1)c1cc(F)cc2n[n-]nc21 ZINC000628726020 492537959 /nfs/dbraw/zinc/53/79/59/492537959.db2.gz YYKNJRVZGHSZSM-SNVBAGLBSA-N -1 3 367.348 0.543 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000628733429 492541490 /nfs/dbraw/zinc/54/14/90/492541490.db2.gz ZIVPZISBXTZHPC-KPZWWZAWSA-N -1 3 357.366 0.611 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000628733204 492541713 /nfs/dbraw/zinc/54/17/13/492541713.db2.gz RPPXTSOXYWFFAC-GOSISDBHSA-N -1 3 357.366 0.565 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H]1C[C@H](C(N)=O)C1 ZINC000628780131 492545658 /nfs/dbraw/zinc/54/56/58/492545658.db2.gz QYOJCTNIQWEZEE-JOCQHMNTSA-N -1 3 355.398 0.453 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)Nc1cn(C)nc1-c1ccco1 ZINC000628820903 492554620 /nfs/dbraw/zinc/55/46/20/492554620.db2.gz FJARDRJPAHFDCZ-UHFFFAOYSA-N -1 3 356.404 0.575 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)NCC(=O)C2(C)CCCC2)cn1C ZINC000628999933 492573143 /nfs/dbraw/zinc/57/31/43/492573143.db2.gz CPYZIBFHKJTVGS-UHFFFAOYSA-N -1 3 370.475 0.663 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000629164182 492581127 /nfs/dbraw/zinc/58/11/27/492581127.db2.gz HWKIJDPOCVXRDX-JTQLQIEISA-N -1 3 354.769 0.726 10 0 FCAEHM C[C@]12COC[C@H]1CN([C@H]1CC(=O)N(Cc3ccc(C(=O)[O-])cc3)C1=O)C2 ZINC000656479553 492625115 /nfs/dbraw/zinc/62/51/15/492625115.db2.gz ZABFUYQWKIRMQC-VCBZYWHSSA-N -1 3 358.394 0.981 10 0 FCAEHM O=C1N[C@H](CCF)C(=O)N1CC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000650267937 492626703 /nfs/dbraw/zinc/62/67/03/492626703.db2.gz KWJUWBBUPUXSML-SSDOTTSWSA-N -1 3 369.827 0.960 10 0 FCAEHM O=C1N[C@@H](CCF)C(=O)N1CC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000650267938 492626910 /nfs/dbraw/zinc/62/69/10/492626910.db2.gz KWJUWBBUPUXSML-ZETCQYMHSA-N -1 3 369.827 0.960 10 0 FCAEHM Cn1nccc1[C@H]1COCCN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000650380859 492637093 /nfs/dbraw/zinc/63/70/93/492637093.db2.gz FOXJHYKYYLAKFR-CQSZACIVSA-N -1 3 355.354 0.909 10 0 FCAEHM CC(C)CN1CCO[C@@H](CNC(=O)CN2CCCC[C@@H]2CC(=O)[O-])C1 ZINC000650506449 492647068 /nfs/dbraw/zinc/64/70/68/492647068.db2.gz MMAKKKZOVOYSNE-CVEARBPZSA-N -1 3 355.479 0.789 10 0 FCAEHM CN(C)C(=O)COc1ccc(-c2noc([C@@H]3CCS(=O)(=O)[N-]3)n2)cc1 ZINC000650550576 492649406 /nfs/dbraw/zinc/64/94/06/492649406.db2.gz KXMIMWSJZKXLQA-LBPRGKRZSA-N -1 3 366.399 0.568 10 0 FCAEHM C[C@]1(c2ccc(CN3C(=O)N[C@@](C)(CCF)C3=O)cc2)NC(=O)[N-]C1=O ZINC000656800275 492649667 /nfs/dbraw/zinc/64/96/67/492649667.db2.gz NCUTXAWZYAOKEY-DLBZAZTESA-N -1 3 362.361 0.911 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@H](Cc1ccccc1)C(N)=O)[C@@H]1CCOC1 ZINC000656884764 492659576 /nfs/dbraw/zinc/65/95/76/492659576.db2.gz DYTFTWUBTBULRH-RBSFLKMASA-N -1 3 356.444 0.054 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@H](CO)c1cc(F)ccc1F)[C@@H]1CCOC1 ZINC000656909888 492666936 /nfs/dbraw/zinc/66/69/36/492666936.db2.gz IUUBJDGCZDQZCZ-VCTAVGKDSA-N -1 3 365.398 0.969 10 0 FCAEHM COc1ccccc1[C@H](CO)[N-]S(=O)(=O)C[C@H](OC)[C@H]1CCOC1 ZINC000656913712 492667606 /nfs/dbraw/zinc/66/76/06/492667606.db2.gz OIPXSCTWIXNGFX-NOLJZWGESA-N -1 3 359.444 0.700 10 0 FCAEHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)C[C@H](OC)[C@@H]2CCOC2)[C@@H]1n1cccn1 ZINC000656998201 492690596 /nfs/dbraw/zinc/69/05/96/492690596.db2.gz PJRLLUYWXNBINW-LEOABGAYSA-N -1 3 373.475 0.573 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]C1(C(=O)N(C)C)CCCCC1)[C@@H]1CCOC1 ZINC000657003530 492691380 /nfs/dbraw/zinc/69/13/80/492691380.db2.gz RURCRAXIXNIXIQ-ZIAGYGMSSA-N -1 3 362.492 0.748 10 0 FCAEHM COC[C@]1(C)CN(C(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)CCO1 ZINC000629906396 492699160 /nfs/dbraw/zinc/69/91/60/492699160.db2.gz UESJDNDTPXVKEZ-FZMZJTMJSA-N -1 3 362.473 0.679 10 0 FCAEHM COC[C@@]1(C)CN(C(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)CCO1 ZINC000629906399 492699266 /nfs/dbraw/zinc/69/92/66/492699266.db2.gz UESJDNDTPXVKEZ-SMDDNHRTSA-N -1 3 362.473 0.679 10 0 FCAEHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCNC1=O ZINC000657032145 492700528 /nfs/dbraw/zinc/70/05/28/492700528.db2.gz RHUNWVUWWCLAGO-KOLCDFICSA-N -1 3 362.835 0.921 10 0 FCAEHM CCO[C@@H](CS(=O)(=O)[N-]Cc1nnnn1-c1ccccc1)C1CC1 ZINC000624967541 492705157 /nfs/dbraw/zinc/70/51/57/492705157.db2.gz WNEKKCIWQWBAHE-AWEZNQCLSA-N -1 3 351.432 0.897 10 0 FCAEHM C[C@]1(c2ccc(C(=O)N[C@@H]3CCN(C4CCC4)C3=O)cc2)NC(=O)[N-]C1=O ZINC000629923546 492705562 /nfs/dbraw/zinc/70/55/62/492705562.db2.gz DMCJOEWRYPVEHA-AUUYWEPGSA-N -1 3 370.409 0.624 10 0 FCAEHM CCO[C@@H](CS(=O)(=O)[N-][C@@H]1CCN(c2cnn(C)c2)C1=O)C1CC1 ZINC000624982443 492706846 /nfs/dbraw/zinc/70/68/46/492706846.db2.gz YAQKKXCTUCPJQL-KGLIPLIRSA-N -1 3 356.448 0.260 10 0 FCAEHM C[C@H](C(=O)NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)c1cncnc1 ZINC000629955624 492708653 /nfs/dbraw/zinc/70/86/53/492708653.db2.gz HWALCLDUTXJRRE-BBATYDOGSA-N -1 3 353.382 0.951 10 0 FCAEHM COCCN(CCOC)S(=O)(=O)[N-][C@H]1Cc2ccccc2N(C)C1=O ZINC000657070335 492709491 /nfs/dbraw/zinc/70/94/91/492709491.db2.gz FDEIMYFEHZHTDH-AWEZNQCLSA-N -1 3 371.459 0.003 10 0 FCAEHM Cc1cc(N2CC[C@@H]([N-]S(=O)(=O)[C@@H]3COC(C)(C)C3)C2=O)n(C)n1 ZINC000625026501 492711684 /nfs/dbraw/zinc/71/16/84/492711684.db2.gz FETJUDYJFZFYHD-NWDGAFQWSA-N -1 3 356.448 0.321 10 0 FCAEHM C[C@@H]1C[C@H]1N1C[C@@H]([N-]S(=O)(=O)c2cnnn2-c2ccccc2)CC1=O ZINC000625029209 492712821 /nfs/dbraw/zinc/71/28/21/492712821.db2.gz ZYGBVHIUELUKQF-MBNYWOFBSA-N -1 3 361.427 0.555 10 0 FCAEHM CC1(C)C[C@@H](S(=O)(=O)NCC[N-]S(=O)(=O)c2cccs2)CO1 ZINC000625077467 492720275 /nfs/dbraw/zinc/72/02/75/492720275.db2.gz QPRIXLVIXKZVAF-SNVBAGLBSA-N -1 3 368.502 0.513 10 0 FCAEHM COCCN(CCF)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000657115760 492724009 /nfs/dbraw/zinc/72/40/09/492724009.db2.gz IBNCXMPRZKQQPK-UHFFFAOYSA-N -1 3 372.415 0.804 10 0 FCAEHM CCn1cc(C[N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)nn1 ZINC000657120669 492725813 /nfs/dbraw/zinc/72/58/13/492725813.db2.gz HAPMOAHWDFHVOM-UHFFFAOYSA-N -1 3 356.429 0.106 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]CC2CN(S(C)(=O)=O)C2)c(F)c1F ZINC000625132528 492728765 /nfs/dbraw/zinc/72/87/65/492728765.db2.gz HLVYYIDBPCBMLJ-UHFFFAOYSA-N -1 3 354.400 0.443 10 0 FCAEHM O=C(NCC[C@]1(O)CCOC1)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000651279006 492733857 /nfs/dbraw/zinc/73/38/57/492733857.db2.gz GTAZBIHLOFIFGQ-SFHVURJKSA-N -1 3 363.414 0.401 10 0 FCAEHM CC1(C)C[C@H](S(=O)(=O)[N-]C[C@@H](N2CCOCC2)C(F)(F)F)CO1 ZINC000625215564 492740111 /nfs/dbraw/zinc/74/01/11/492740111.db2.gz XYAYOTSATISQJR-WDEREUQCSA-N -1 3 360.398 0.736 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]CCS(=O)(=O)N(C)C)c1ccc(F)cc1 ZINC000625221564 492741142 /nfs/dbraw/zinc/74/11/42/492741142.db2.gz IPDMILRXMVEPNH-CYBMUJFWSA-N -1 3 368.452 0.324 10 0 FCAEHM CO[C@H](C[N-]S(=O)(=O)c1cnnn1-c1ccccc1)[C@@H]1CCOC1 ZINC000625272680 492749578 /nfs/dbraw/zinc/74/95/78/492749578.db2.gz HHKHIFPLWZOMSR-TZMCWYRMSA-N -1 3 352.416 0.597 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-]C[C@@H](OC)[C@H]2CCOC2)CCOCC1 ZINC000625273071 492749867 /nfs/dbraw/zinc/74/98/67/492749867.db2.gz KMWGUKQPJFRPHW-UONOGXRCSA-N -1 3 351.465 0.543 10 0 FCAEHM O=S(=O)([N-]Cc1ncc2c(n1)CCOC2)c1cnnn1-c1ccccc1 ZINC000625272116 492749919 /nfs/dbraw/zinc/74/99/19/492749919.db2.gz YFZYQUNSZLYCNF-UHFFFAOYSA-N -1 3 372.410 0.609 10 0 FCAEHM CN1C2(CCC2)COC[C@]1(CO)C[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000625376667 492767615 /nfs/dbraw/zinc/76/76/15/492767615.db2.gz MFUBRTZEBKPGRA-GDBMZVCRSA-N -1 3 362.492 0.091 10 0 FCAEHM CC(C)n1cnc(=NC(=O)C(=O)NCc2ccc(OCCN(C)C)cc2)[n-]1 ZINC000651519358 492773386 /nfs/dbraw/zinc/77/33/86/492773386.db2.gz MGUKJJSDFWQPDS-UHFFFAOYSA-N -1 3 374.445 0.476 10 0 FCAEHM CC(=O)N1CCN(CCN=c2cc(-c3ccccc3)n3[n-]cnc3n2)CC1 ZINC000631058832 492796568 /nfs/dbraw/zinc/79/65/68/492796568.db2.gz WBUWEABPBXZRNJ-UHFFFAOYSA-N -1 3 365.441 0.789 10 0 FCAEHM CCO[C@@H]1C[C@@](O)(C[N-]S(=O)(=O)CC2(OC)CCOCC2)C1(C)C ZINC000651666900 492803962 /nfs/dbraw/zinc/80/39/62/492803962.db2.gz RKKUKFYYTRLPPZ-CZUORRHYSA-N -1 3 365.492 0.668 10 0 FCAEHM O=C1[C@H](N=c2cc(-c3ccccc3)n3[n-]cnc3n2)CCCN1CCO ZINC000631209994 492804406 /nfs/dbraw/zinc/80/44/06/492804406.db2.gz CYAXNMUQJJVJNH-CQSZACIVSA-N -1 3 352.398 0.608 10 0 FCAEHM CN1CCOC[C@H]1C[N-]S(=O)(=O)c1cccnc1OCC(F)F ZINC000625516730 492806592 /nfs/dbraw/zinc/80/65/92/492806592.db2.gz YICBVBOWHNWNJE-SNVBAGLBSA-N -1 3 351.375 0.334 10 0 FCAEHM C/C=C/CNS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000625559580 492820845 /nfs/dbraw/zinc/82/08/45/492820845.db2.gz ANCFYGLFZIOHEW-MBVDDHJVSA-N -1 3 353.400 0.604 10 0 FCAEHM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1CO[C@@H](C2CC2)C1 ZINC000625576490 492825164 /nfs/dbraw/zinc/82/51/64/492825164.db2.gz HUUYYJZHZYIMHZ-QWHCGFSZSA-N -1 3 374.484 0.783 10 0 FCAEHM CCN1C[C@H](C[N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)CC1=O ZINC000651857945 492836498 /nfs/dbraw/zinc/83/64/98/492836498.db2.gz UNFIOTGJKXLVAU-NSHDSACASA-N -1 3 360.457 0.237 10 0 FCAEHM CO[C@@H](CNC(=O)C(=O)[N-]c1nccn1-c1ccccc1)[C@H]1CCOC1 ZINC000658184382 492847439 /nfs/dbraw/zinc/84/74/39/492847439.db2.gz USSJLASYWNCHDN-ZFWWWQNUSA-N -1 3 358.398 0.979 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@H](CO)C[C@H]1C ZINC000625639348 492850001 /nfs/dbraw/zinc/85/00/01/492850001.db2.gz NDEIUEFVVJAHLV-VXGBXAGGSA-N -1 3 362.473 0.376 10 0 FCAEHM Cc1cc(C2([N-]S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CCOCC2)on1 ZINC000625653926 492852853 /nfs/dbraw/zinc/85/28/53/492852853.db2.gz QLNZVSLGWKRTJB-CHWSQXEVSA-N -1 3 359.448 0.932 10 0 FCAEHM CC(C)O[C@@]1(CS(=O)(=O)[N-][C@H]2CCN(C3CCC3)C2=O)CCOC1 ZINC000625689601 492861861 /nfs/dbraw/zinc/86/18/61/492861861.db2.gz CDPLWNTWBUXVOY-HOCLYGCPSA-N -1 3 360.476 0.643 10 0 FCAEHM CCc1cccc(NC(=O)C[N-]S(=O)(=O)[C@@H]2CC(=O)N(CC)C2)c1 ZINC000631873000 492867317 /nfs/dbraw/zinc/86/73/17/492867317.db2.gz JVWWUZQTUIXRAD-CQSZACIVSA-N -1 3 353.444 0.728 10 0 FCAEHM C[C@H]([C@H](C)[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C)N1CCOCC1 ZINC000631906172 492874870 /nfs/dbraw/zinc/87/48/70/492874870.db2.gz FOQXKHQNDJWZGO-VHSXEESVSA-N -1 3 370.397 0.826 10 0 FCAEHM Cc1cc(C)c(NC(=O)C[N-]S(=O)(=O)C[C@@H]2CNCCO2)c(C)c1 ZINC000631912158 492877613 /nfs/dbraw/zinc/87/76/13/492877613.db2.gz XJENCQYAPFYFDV-AWEZNQCLSA-N -1 3 355.460 0.458 10 0 FCAEHM O=C1C[C@@H](S(=O)(=O)[N-]Cc2n[nH]cc2Br)CN1C1CC1 ZINC000631934103 492891118 /nfs/dbraw/zinc/89/11/18/492891118.db2.gz PBQRKAPNWRFBCW-MRVPVSSYSA-N -1 3 363.237 0.355 10 0 FCAEHM CC(C)[C@H]([N-]S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1)C(=O)N1CCCC1 ZINC000631966777 492899956 /nfs/dbraw/zinc/89/99/56/492899956.db2.gz XKZHDYDDRAVSOJ-ZFWWWQNUSA-N -1 3 357.476 0.316 10 0 FCAEHM CC(C)[C@H]([N-]S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1)C(=O)N1CCCC1 ZINC000631966776 492900183 /nfs/dbraw/zinc/90/01/83/492900183.db2.gz XKZHDYDDRAVSOJ-HIFRSBDPSA-N -1 3 357.476 0.316 10 0 FCAEHM CCN1C[C@H](S(=O)(=O)[N-][C@@H]2CCCN(c3ccccc3)C2=O)CC1=O ZINC000631969584 492901351 /nfs/dbraw/zinc/90/13/51/492901351.db2.gz GDKMYLGGZQPJJV-HUUCEWRRSA-N -1 3 365.455 0.722 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]CC(=O)NCc1ccco1)C1CCOCC1 ZINC000645444629 492907176 /nfs/dbraw/zinc/90/71/76/492907176.db2.gz FDAMSMVYAIRVMA-CQSZACIVSA-N -1 3 360.432 0.257 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@@H](C(N)=O)c2ccccc2)coc1C(=O)N(C)C ZINC000645448127 492907336 /nfs/dbraw/zinc/90/73/36/492907336.db2.gz BQRXTKBHEXGLLQ-CYBMUJFWSA-N -1 3 365.411 0.795 10 0 FCAEHM CN(C)S(=O)(=O)c1ccc(C[N-]S(=O)(=O)c2cscn2)cc1 ZINC000645474801 492911753 /nfs/dbraw/zinc/91/17/53/492911753.db2.gz PEFJHTLAMDEJOZ-UHFFFAOYSA-N -1 3 361.470 0.872 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-][C@](C)(C(N)=O)c1ccccc1)C1CCOCC1 ZINC000645506472 492916422 /nfs/dbraw/zinc/91/64/22/492916422.db2.gz PPPIHLSZIGNDTE-RDJZCZTQSA-N -1 3 370.471 0.748 10 0 FCAEHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)C[C@H]2CN(C)CCO2)C(=O)N1c1ccccc1 ZINC000632037396 492916561 /nfs/dbraw/zinc/91/65/61/492916561.db2.gz VPWZMEDGUWQESK-FVQBIDKESA-N -1 3 367.471 0.430 10 0 FCAEHM COCCN1CCC[C@@H]([N-]S(=O)(=O)c2coc(C(=O)N(C)C)c2C)C1 ZINC000645521969 492919169 /nfs/dbraw/zinc/91/91/69/492919169.db2.gz CGQBYFMHMMJWFT-CYBMUJFWSA-N -1 3 373.475 0.679 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]CCC2(C[NH3+])CC2)c(F)c1 ZINC000652379280 492919511 /nfs/dbraw/zinc/91/95/11/492919511.db2.gz UMKPAQSLISXNJK-UHFFFAOYSA-N -1 3 365.452 0.605 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]Cc2cnc(N(C)C)n2C)coc1C(=O)N(C)C ZINC000645533115 492921325 /nfs/dbraw/zinc/92/13/25/492921325.db2.gz LPHDWHBIKPSXKM-UHFFFAOYSA-N -1 3 369.447 0.568 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CC2(C(N)=O)CCCC2)coc1C(=O)N(C)C ZINC000645541465 492923182 /nfs/dbraw/zinc/92/31/82/492923182.db2.gz CBKUEMYNIWMSCX-UHFFFAOYSA-N -1 3 357.432 0.614 10 0 FCAEHM CN1CCO[C@@H](CS(=O)(=O)[N-]Cc2c(F)c(F)cc(F)c2F)C1 ZINC000632080719 492925360 /nfs/dbraw/zinc/92/53/60/492925360.db2.gz HAEFUWXIFVHFMK-MRVPVSSYSA-N -1 3 356.341 0.993 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]CCCO[C@@H]1CCOC1 ZINC000632091231 492927080 /nfs/dbraw/zinc/92/70/80/492927080.db2.gz BYCZDHLHEWINJK-SECBINFHSA-N -1 3 357.354 0.913 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C)[C@@H]1CN(C)CCO1 ZINC000632123786 492934156 /nfs/dbraw/zinc/93/41/56/492934156.db2.gz JNWZVBQIWDLYDR-SCZZXKLOSA-N -1 3 356.370 0.436 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@H](C)CO[C@@H]2CCOC2)coc1C(=O)N(C)C ZINC000645596060 492935831 /nfs/dbraw/zinc/93/58/31/492935831.db2.gz DYYNERMBHOYTSC-ZYHUDNBSSA-N -1 3 360.432 0.762 10 0 FCAEHM Cc1nn2cc(Br)cnc2c1S(=O)(=O)[N-][C@@H]1CCOC1 ZINC000632135444 492937524 /nfs/dbraw/zinc/93/75/24/492937524.db2.gz DBIVYURJDJOZKN-SECBINFHSA-N -1 3 361.221 0.867 10 0 FCAEHM O=C(Cn1ccc(C(F)F)n1)NCC[N-]S(=O)(=O)c1cccs1 ZINC000626223853 492949549 /nfs/dbraw/zinc/94/95/49/492949549.db2.gz WVTPAQKBLNKZLK-UHFFFAOYSA-N -1 3 364.399 0.977 10 0 FCAEHM Cc1c(C(=O)N(C)C)occ1S(=O)(=O)[N-][C@H](CO)CC(F)(F)F ZINC000645629940 492950909 /nfs/dbraw/zinc/95/09/09/492950909.db2.gz OGUXGRNDNBKTCI-QMMMGPOBSA-N -1 3 358.338 0.881 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]C[C@@H]1CCCCS1(=O)=O)C1CCOCC1 ZINC000645647949 492953996 /nfs/dbraw/zinc/95/39/96/492953996.db2.gz FGICIPACYIVGCQ-UONOGXRCSA-N -1 3 369.505 0.315 10 0 FCAEHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2coc(C(=O)N(C)C)c2C)[C@H]1OC ZINC000645651620 492955124 /nfs/dbraw/zinc/95/51/24/492955124.db2.gz SUWYAPSYRNMNAX-MISXGVKJSA-N -1 3 360.432 0.761 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]Cc2cc(C(N)=O)co2)coc1C(=O)N(C)C ZINC000645659353 492955557 /nfs/dbraw/zinc/95/55/57/492955557.db2.gz GSLBWJXAPXNDAY-UHFFFAOYSA-N -1 3 355.372 0.460 10 0 FCAEHM CCn1cccc(C[N-]S(=O)(=O)c2coc(C(=O)N(C)C)c2C)c1=O ZINC000645686500 492959912 /nfs/dbraw/zinc/95/99/12/492959912.db2.gz JQWCTAGWTDWRBI-UHFFFAOYSA-N -1 3 367.427 0.950 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-][C@H](C)C1(S(C)(=O)=O)CC1)C1CCOCC1 ZINC000645711495 492965178 /nfs/dbraw/zinc/96/51/78/492965178.db2.gz VCFRQVWMOWQUEY-YPMHNXCESA-N -1 3 369.505 0.313 10 0 FCAEHM C[C@@H]1OCC[C@@]1(O)C[N-]S(=O)(=O)Cc1ncsc1Br ZINC000632289891 492966702 /nfs/dbraw/zinc/96/67/02/492966702.db2.gz ZVMQFWPVDKBNIJ-OIBJUYFYSA-N -1 3 371.278 0.865 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]C[C@@H](CO)c1cccnc1 ZINC000632338133 492976855 /nfs/dbraw/zinc/97/68/55/492976855.db2.gz HYXGCQSAUSQHOK-JTQLQIEISA-N -1 3 364.349 0.888 10 0 FCAEHM O=C(NCCNC(=O)[C@H]1CCc2nnc(C3CC3)n2C1)c1ccc([O-])cc1 ZINC000645822652 492977302 /nfs/dbraw/zinc/97/73/02/492977302.db2.gz PXVBVAMISNZTMC-AWEZNQCLSA-N -1 3 369.425 0.970 10 0 FCAEHM C[C@@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000632341046 492977836 /nfs/dbraw/zinc/97/78/36/492977836.db2.gz WNHSZGVPGNYEKF-HUBLWGQQSA-N -1 3 374.484 0.710 10 0 FCAEHM C[C@@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000632341049 492977998 /nfs/dbraw/zinc/97/79/98/492977998.db2.gz WNHSZGVPGNYEKF-ZOWXZIJZSA-N -1 3 374.484 0.710 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-][C@@H]1C[C@H]2CCCCN2C1=O ZINC000632434316 492997335 /nfs/dbraw/zinc/99/73/35/492997335.db2.gz RJKPWLVJQUBJES-PSASIEDQSA-N -1 3 366.365 0.871 10 0 FCAEHM CCN1C[C@H](S(=O)(=O)[N-]Cc2nccc(C(F)(F)F)n2)CC1=O ZINC000632455460 493001529 /nfs/dbraw/zinc/00/15/29/493001529.db2.gz DHBRFUTXNIOCRK-MRVPVSSYSA-N -1 3 352.338 0.536 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]C(C)(C)CN1CCOCC1 ZINC000632457964 493002337 /nfs/dbraw/zinc/00/23/37/493002337.db2.gz SKDKOIXTQIWHKC-UHFFFAOYSA-N -1 3 370.397 0.828 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@H](C2CC2)C2CCOCC2)cn1C ZINC000652770019 493016989 /nfs/dbraw/zinc/01/69/89/493016989.db2.gz SRYASISQGUDXGE-MRXNPFEDSA-N -1 3 370.475 0.328 10 0 FCAEHM O=C(c1n[nH]c(=O)[n-]c1=O)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000652812279 493023413 /nfs/dbraw/zinc/02/34/13/493023413.db2.gz FZNSTRICKXXASP-ZIAGYGMSSA-N -1 3 371.397 0.398 10 0 FCAEHM C[C@@H]1C[C@H]1c1noc(CC2CCN(C(=O)CN3CC(=O)[N-]C3=O)CC2)n1 ZINC000652847728 493029475 /nfs/dbraw/zinc/02/94/75/493029475.db2.gz IPTMYJILCBLSDM-ZYHUDNBSSA-N -1 3 361.402 0.526 10 0 FCAEHM C[C@@]1(C[N-]S(=O)(=O)[C@@H]2CC(=O)N(C3CC3)C2)COc2ccccc2O1 ZINC000632589425 493037968 /nfs/dbraw/zinc/03/79/68/493037968.db2.gz NGPRNNVUGDIPNH-CXAGYDPISA-N -1 3 366.439 0.899 10 0 FCAEHM CN1Cc2ccccc2[C@@H]([N-]S(=O)(=O)[C@H]2CC(=O)N(C3CC3)C2)C1=O ZINC000632595312 493040625 /nfs/dbraw/zinc/04/06/25/493040625.db2.gz DFUKQIOYYLJSIG-XJKSGUPXSA-N -1 3 363.439 0.382 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-][C@H]1CCN(C2CCC2)C1=O ZINC000632601376 493043072 /nfs/dbraw/zinc/04/30/72/493043072.db2.gz DFGUDWJWQBLADS-JTQLQIEISA-N -1 3 366.365 0.871 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCC[C@]1(O)CCCOC1 ZINC000652941277 493045425 /nfs/dbraw/zinc/04/54/25/493045425.db2.gz BLOIWXXFLXGQFT-BLLLJJGKSA-N -1 3 374.434 0.540 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2c2ccnn2C)c(C)o1 ZINC000652984231 493052307 /nfs/dbraw/zinc/05/23/07/493052307.db2.gz NXBCABSUXQVYNZ-CYBMUJFWSA-N -1 3 368.415 0.443 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CC[C@@]2(CC2(F)F)C1 ZINC000653002927 493057804 /nfs/dbraw/zinc/05/78/04/493057804.db2.gz MXAIRMIPCMQXRJ-LLVKDONJSA-N -1 3 364.146 0.969 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)Cc2ccnc(OC)c2)s1 ZINC000646613441 493068308 /nfs/dbraw/zinc/06/83/08/493068308.db2.gz DFCWOSDNSHRAHY-UHFFFAOYSA-N -1 3 355.441 0.919 10 0 FCAEHM C[C@H]1CC(=O)N(C)c2ccc(NC(=O)N3CCN4C(=O)[N-]C(=O)[C@@H]4C3)cc21 ZINC000627064249 493085394 /nfs/dbraw/zinc/08/53/94/493085394.db2.gz QDYNPUVPPMDSOW-HZMBPMFUSA-N -1 3 371.397 0.925 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2c(C(=O)NC3COCCOC3)cc(C3CC3)nc21 ZINC000646800481 493098401 /nfs/dbraw/zinc/09/84/01/493098401.db2.gz KKJXVBHMQMIKMN-UHFFFAOYSA-N -1 3 360.370 0.057 10 0 FCAEHM CCN(Cc1cn(C)nn1)C(=O)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1 ZINC000681431088 493167199 /nfs/dbraw/zinc/16/71/99/493167199.db2.gz BMOWCDHCIVXMHS-CQSZACIVSA-N -1 3 371.401 0.620 10 0 FCAEHM CC(C)(C)n1nnc(C(=O)Nc2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)n1 ZINC000666439962 493185577 /nfs/dbraw/zinc/18/55/77/493185577.db2.gz MIZOESWIFISMAS-MRXNPFEDSA-N -1 3 357.374 0.735 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12 ZINC000633784244 493188962 /nfs/dbraw/zinc/18/89/62/493188962.db2.gz XUWYWMHRGSPEDQ-CUOATXAZSA-N -1 3 364.199 0.755 10 0 FCAEHM Cc1cncc(CCNC(=O)Nc2ccc(C[C@H]3NC(=O)[N-]C3=O)cc2)n1 ZINC000666512359 493196633 /nfs/dbraw/zinc/19/66/33/493196633.db2.gz ADJMPDQXVFGPRV-OAHLLOKOSA-N -1 3 368.397 0.900 10 0 FCAEHM CN1CCN(C(=O)Nc2ccc(C[C@H]3NC(=O)[N-]C3=O)cc2)CCC1=O ZINC000666513532 493197287 /nfs/dbraw/zinc/19/72/87/493197287.db2.gz PTCFKKYEAZELPT-CYBMUJFWSA-N -1 3 359.386 0.133 10 0 FCAEHM CC(C)CN1CCO[C@H](CNC(=O)CN2CC[C@H](C)[C@H](C(=O)[O-])C2)C1 ZINC000647368118 493197687 /nfs/dbraw/zinc/19/76/87/493197687.db2.gz WVMHXUBGYCKLTJ-ARFHVFGLSA-N -1 3 355.479 0.502 10 0 FCAEHM Cn1cc(C[C@H]2CCC[C@H]2NC(=O)NCc2nc(CN)cc(=O)[n-]2)cn1 ZINC000659606992 493219919 /nfs/dbraw/zinc/21/99/19/493219919.db2.gz WJEGQWYPMWWFPO-TZMCWYRMSA-N -1 3 359.434 0.585 10 0 FCAEHM CC(=O)N(CC(=O)[O-])C[C@@H]1CN(C(=O)[C@@H](C)N2CCCCCC2)CCO1 ZINC000681943732 493255046 /nfs/dbraw/zinc/25/50/46/493255046.db2.gz ODBKXZFSXKXZOA-ZBFHGGJFSA-N -1 3 369.462 0.411 10 0 FCAEHM COc1cc(F)c(S(=O)(=O)[N-]CCC2CS(=O)(=O)C2)cc1OC ZINC000682489555 493303378 /nfs/dbraw/zinc/30/33/78/493303378.db2.gz XTLAQUCKKBPWBS-UHFFFAOYSA-N -1 3 367.420 0.556 10 0 FCAEHM O=C(Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1)N1C[C@H](O)CC(F)(F)C1 ZINC000682556560 493308648 /nfs/dbraw/zinc/30/86/48/493308648.db2.gz MRMLKBDVDQTGGJ-VXGBXAGGSA-N -1 3 368.340 0.671 10 0 FCAEHM CCc1nc(S(=O)(=O)[N-]CCCc2ncn(C)n2)cn1CC1CC1 ZINC000659984145 493311826 /nfs/dbraw/zinc/31/18/26/493311826.db2.gz CZDARAYNGYDREH-UHFFFAOYSA-N -1 3 352.464 0.895 10 0 FCAEHM CO[C@H](C[N-]S(=O)(=O)C[C@]1(OC(C)C)CCOC1)[C@@H]1CCOC1 ZINC000659989634 493312286 /nfs/dbraw/zinc/31/22/86/493312286.db2.gz QBNOFFFXEJCROO-KFWWJZLASA-N -1 3 351.465 0.541 10 0 FCAEHM COc1cc(C[N-]S(=O)(=O)c2ccc(CCNC(C)=O)cc2)on1 ZINC000660009947 493314595 /nfs/dbraw/zinc/31/45/95/493314595.db2.gz AGJNAVQKITZMSR-UHFFFAOYSA-N -1 3 353.400 0.840 10 0 FCAEHM COc1cc(C[N-]S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)on1 ZINC000660010335 493314693 /nfs/dbraw/zinc/31/46/93/493314693.db2.gz JTLSNIKXUXONDY-UHFFFAOYSA-N -1 3 360.413 0.706 10 0 FCAEHM O=C1N(CC[N-]S(=O)(=O)c2cnn3c2OCCC3)C[C@H]2CCCCN12 ZINC000660053742 493319818 /nfs/dbraw/zinc/31/98/18/493319818.db2.gz YSXLPNJHXBZOGR-GFCCVEGCSA-N -1 3 369.447 0.234 10 0 FCAEHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@H]2COC[C@H]2C1 ZINC000660078577 493322668 /nfs/dbraw/zinc/32/26/68/493322668.db2.gz JRXJAOAFJDZWBP-QWHCGFSZSA-N -1 3 374.484 0.642 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@@H](CO)c1ccc(F)cc1F)[C@H]1CCOC1 ZINC000660098679 493324610 /nfs/dbraw/zinc/32/46/10/493324610.db2.gz BMAZSUYBDLYQIP-NZVBXONLSA-N -1 3 365.398 0.969 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]Cc2ccc(F)c(S(N)(=O)=O)c2)c1 ZINC000660165667 493332103 /nfs/dbraw/zinc/33/21/03/493332103.db2.gz ZGPLGWQGPQRTBS-UHFFFAOYSA-N -1 3 362.408 0.168 10 0 FCAEHM O=C(NC[C@@]1(O)CCSC1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000673952207 493377131 /nfs/dbraw/zinc/37/71/31/493377131.db2.gz KWWHFZSGNRRBFB-GUYCJALGSA-N -1 3 350.440 0.981 10 0 FCAEHM O=C(Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000683945950 493380902 /nfs/dbraw/zinc/38/09/02/493380902.db2.gz HBAKJMOIOQXODU-FZKQIMNGSA-N -1 3 371.397 0.181 10 0 FCAEHM Cc1ccc2ncccc2c1S(=O)(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000683953630 493381721 /nfs/dbraw/zinc/38/17/21/493381721.db2.gz YRSXKHDEUQEFEM-KRWDZBQOSA-N -1 3 374.422 0.906 10 0 FCAEHM O=C([C@@H]1CCCN1Cc1ccccn1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000684078769 493392688 /nfs/dbraw/zinc/39/26/88/493392688.db2.gz JYTJFUGREXCEPW-KSSFIOAISA-N -1 3 357.414 0.247 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](N3CCC3)[C@@H](F)C2)c(C)o1 ZINC000684185687 493399885 /nfs/dbraw/zinc/39/98/85/493399885.db2.gz LAKFAVZPIGIWBT-STQMWFEESA-N -1 3 359.423 0.754 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](N3CCC3)[C@H](F)C2)c(C)o1 ZINC000684185677 493400068 /nfs/dbraw/zinc/40/00/68/493400068.db2.gz LAKFAVZPIGIWBT-CHWSQXEVSA-N -1 3 359.423 0.754 10 0 FCAEHM CNS(=O)(=O)Cc1ccc(CNC(=O)NCc2ncccc2[O-])cc1 ZINC000684250431 493402401 /nfs/dbraw/zinc/40/24/01/493402401.db2.gz WAIOMDSGDCURPB-UHFFFAOYSA-N -1 3 364.427 0.836 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCc2cn[nH]n2)cc1OC ZINC000674242204 493403212 /nfs/dbraw/zinc/40/32/12/493403212.db2.gz STQBDWCEDFRRTG-UHFFFAOYSA-N -1 3 354.392 0.897 10 0 FCAEHM Cc1cccc(OCCNC(=O)[C@@H](C)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1 ZINC000662220362 493497514 /nfs/dbraw/zinc/49/75/14/493497514.db2.gz XVEAKGWMQMLCFR-SPYBWZPUSA-N -1 3 362.426 0.912 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)Nc1cnn(C)c1C(F)F ZINC000685806032 493516833 /nfs/dbraw/zinc/51/68/33/493516833.db2.gz VFSUCBPLUBKIBY-UHFFFAOYSA-N -1 3 363.346 0.880 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000662685030 493531481 /nfs/dbraw/zinc/53/14/81/493531481.db2.gz NTCXRYJTGZFTEN-HNNXBMFYSA-N -1 3 371.459 0.242 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCO[C@H](C(=O)C3CC3)C2)cc1 ZINC000669910962 493533436 /nfs/dbraw/zinc/53/34/36/493533436.db2.gz UWJJEVUWDFYGFX-AWEZNQCLSA-N -1 3 352.412 0.878 10 0 FCAEHM CCN1CC[C@H]([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)C1=O ZINC000669984279 493538765 /nfs/dbraw/zinc/53/87/65/493538765.db2.gz CDSVUZCLNXOGLJ-NSHDSACASA-N -1 3 364.420 0.128 10 0 FCAEHM CCN1C(=O)N=NC1C1CCN(Cc2nc3c(cnn3C)c(=O)[n-]2)CC1 ZINC000676341805 493546244 /nfs/dbraw/zinc/54/62/44/493546244.db2.gz DRGUYCJHLIGXAD-UHFFFAOYSA-N -1 3 358.406 0.766 10 0 FCAEHM CN1CCC[C@@H](NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)C1 ZINC000676353129 493547266 /nfs/dbraw/zinc/54/72/66/493547266.db2.gz VUQSXJKQSNTGTN-SNVBAGLBSA-N -1 3 365.452 0.570 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CCCc3n[nH]cc3C2)cn1C ZINC000663194406 493576832 /nfs/dbraw/zinc/57/68/32/493576832.db2.gz WDMJFPDWGPQMKH-UHFFFAOYSA-N -1 3 366.447 0.095 10 0 FCAEHM CC(C)n1cnc(S(=O)(=O)[N-]CCCN2CCCS2(=O)=O)c1 ZINC000677140625 493586081 /nfs/dbraw/zinc/58/60/81/493586081.db2.gz HSUCCVQMGFRUCC-UHFFFAOYSA-N -1 3 350.466 0.168 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@@H]2C[C@H](O)C23CCC3)s1 ZINC000663536758 493594553 /nfs/dbraw/zinc/59/45/53/493594553.db2.gz TWZWCLQXXOSUPN-MNOVXSKESA-N -1 3 359.473 0.759 10 0 FCAEHM C[C@@H](CNC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1)N1CCC(C)CC1 ZINC000663620975 493605165 /nfs/dbraw/zinc/60/51/65/493605165.db2.gz SRLIAOCPVDQNDM-ZFWWWQNUSA-N -1 3 353.463 0.840 10 0 FCAEHM O=C1[N-]C(=O)[C@@]2(CCCN(c3ncnc4c3ncn4-c3ccccc3)C2)N1 ZINC000663856205 493621889 /nfs/dbraw/zinc/62/18/89/493621889.db2.gz OSKRXFFLMLQMTM-SFHVURJKSA-N -1 3 363.381 0.994 10 0 FCAEHM C[C@]1(c2ccc(CNC(=O)N[C@H](CO)C3CCC3)cc2)NC(=O)[N-]C1=O ZINC000663919372 493625732 /nfs/dbraw/zinc/62/57/32/493625732.db2.gz NNDSWLJYXJPAJF-RDTXWAMCSA-N -1 3 360.414 0.701 10 0 FCAEHM C[C@]1(c2ccc(CNC(=O)N3CC[C@H]4COC[C@H]4C3)cc2)NC(=O)[N-]C1=O ZINC000663918826 493625815 /nfs/dbraw/zinc/62/58/15/493625815.db2.gz FRVFMXVYTIDYHA-IQUTYRLHSA-N -1 3 372.425 0.919 10 0 FCAEHM C[C@]1(c2ccc(CNC(=O)N[C@@H](CO)C3CCC3)cc2)NC(=O)[N-]C1=O ZINC000663919369 493625849 /nfs/dbraw/zinc/62/58/49/493625849.db2.gz NNDSWLJYXJPAJF-KBXCAEBGSA-N -1 3 360.414 0.701 10 0 FCAEHM COCCC1CN(C(=O)NCc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)C1 ZINC000663919218 493625914 /nfs/dbraw/zinc/62/59/14/493625914.db2.gz JLQOENZBZRGADY-GOSISDBHSA-N -1 3 360.414 0.919 10 0 FCAEHM C[C@]1(c2ccc(CNC(=O)N3CCC4(COC4)C3)cc2)NC(=O)[N-]C1=O ZINC000663919042 493625994 /nfs/dbraw/zinc/62/59/94/493625994.db2.gz GSUKAVQZZAQEMK-QGZVFWFLSA-N -1 3 358.398 0.673 10 0 FCAEHM CCn1cc(S(=O)(=O)[N-][C@@H]2CCN(C3CCOCC3)C2=O)nc1C ZINC000678069355 493632734 /nfs/dbraw/zinc/63/27/34/493632734.db2.gz YPOFAJNBMNDBCM-CYBMUJFWSA-N -1 3 356.448 0.270 10 0 FCAEHM Cn1nnnc1CC[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000678493887 493646582 /nfs/dbraw/zinc/64/65/82/493646582.db2.gz UIMADKXAJKCMSG-UHFFFAOYSA-N -1 3 364.200 0.633 10 0 FCAEHM COc1ccc(S(=O)(=O)N[C@@H]2C[C@H]2C)cc1[C@]1(C)NC(=O)[N-]C1=O ZINC000671188174 493648383 /nfs/dbraw/zinc/64/83/83/493648383.db2.gz KQIXYBOOMOIZGR-UQHVFFSPSA-N -1 3 353.400 0.437 10 0 FCAEHM CN1CCN(c2ccc(-c3noc([C@@H]4CCS(=O)(=O)[N-]4)n3)nc2)CC1 ZINC000664944178 493691452 /nfs/dbraw/zinc/69/14/52/493691452.db2.gz YSCSHKZGWQQCNX-ZDUSSCGKSA-N -1 3 364.431 0.248 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC[C@H](OC(F)F)C2)cn1C ZINC000679668664 493691560 /nfs/dbraw/zinc/69/15/60/493691560.db2.gz XWHHORXGXGBVQQ-JTQLQIEISA-N -1 3 366.390 0.237 10 0 FCAEHM CCN(Cc1cn(C)nn1)C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000679820905 493696535 /nfs/dbraw/zinc/69/65/35/493696535.db2.gz ZEXDECGOWZLLEC-NSHDSACASA-N -1 3 369.422 0.670 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H](CO)C1CCOCC1 ZINC000679899198 493700117 /nfs/dbraw/zinc/70/01/17/493700117.db2.gz CJPFWBNSOJUJGT-FZMZJTMJSA-N -1 3 374.434 0.396 10 0 FCAEHM CCc1ncc(S(=O)(=O)[N-]C[C@H]2CCCCN2S(C)(=O)=O)s1 ZINC000671701250 493703424 /nfs/dbraw/zinc/70/34/24/493703424.db2.gz IJTQSJBCDATDHM-SNVBAGLBSA-N -1 3 367.518 0.798 10 0 FCAEHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]CCCn2ccnn2)s1 ZINC000680102808 493707429 /nfs/dbraw/zinc/70/74/29/493707429.db2.gz LYOZVLHNFXBPIJ-JTQLQIEISA-N -1 3 357.461 0.905 10 0 FCAEHM CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000665304162 493708493 /nfs/dbraw/zinc/70/84/93/493708493.db2.gz ZFIJRQDXQATULD-HUUCEWRRSA-N -1 3 368.478 0.729 10 0 FCAEHM Cn1cc(C[N-]S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)nn1 ZINC000680511145 493720686 /nfs/dbraw/zinc/72/06/86/493720686.db2.gz VCFNGNZKRHPDTH-UHFFFAOYSA-N -1 3 361.427 0.519 10 0 FCAEHM Cc1nc(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)n(C)n1 ZINC000680524004 493722085 /nfs/dbraw/zinc/72/20/85/493722085.db2.gz YZJZEWJJNUDHPK-UHFFFAOYSA-N -1 3 353.386 0.570 10 0 FCAEHM COc1ccc(OC)c([C@@H](C)NC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)c1 ZINC000680603384 493725847 /nfs/dbraw/zinc/72/58/47/493725847.db2.gz LNTBRZWDDFFZQP-ZWNOBZJWSA-N -1 3 362.386 0.710 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)NC1(CCO)CCOCC1 ZINC000680935126 493737773 /nfs/dbraw/zinc/73/77/73/493737773.db2.gz UPSTUXWZJRQQBZ-UHFFFAOYSA-N -1 3 362.473 0.464 10 0 FCAEHM C[C@]1(C[C@H]2CCCN2C(=O)NCCO[C@@H]2CC2(F)F)NC(=O)[N-]C1=O ZINC000666207032 493761793 /nfs/dbraw/zinc/76/17/93/493761793.db2.gz SCNLQFYVUHQGLJ-GPCCPHFNSA-N -1 3 360.361 0.573 10 0 FCAEHM C[C@]1(C[C@@H]2CCCN2C(=O)NCCO[C@H]2CC2(F)F)NC(=O)[N-]C1=O ZINC000666207047 493761945 /nfs/dbraw/zinc/76/19/45/493761945.db2.gz SCNLQFYVUHQGLJ-PKFCDNJMSA-N -1 3 360.361 0.573 10 0 FCAEHM C[C@@H](COc1c(F)cccc1F)NC(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000666339991 493773473 /nfs/dbraw/zinc/77/34/73/493773473.db2.gz ZOZNEVRVVNGLAU-CABZTGNLSA-N -1 3 368.340 0.678 10 0 FCAEHM CCOc1ccc(CC(=O)N2CCO[C@@H](CN(C)CC(=O)[O-])C2)cc1 ZINC000275707788 520933533 /nfs/dbraw/zinc/93/35/33/520933533.db2.gz NXQADENDDCBQGP-INIZCTEOSA-N -1 3 350.415 0.872 10 0 FCAEHM CCc1nc2ccccc2n1CC(=O)N1CCO[C@@H](CN(C)CC(=O)[O-])C1 ZINC000275611974 522497807 /nfs/dbraw/zinc/49/78/07/522497807.db2.gz IQWLIGZPFFRNNK-AWEZNQCLSA-N -1 3 374.441 0.843 10 0 FCAEHM CCc1nc2ccccc2n1CC(=O)N1CCO[C@H](CN(C)CC(=O)[O-])C1 ZINC000275611978 522498693 /nfs/dbraw/zinc/49/86/93/522498693.db2.gz IQWLIGZPFFRNNK-CQSZACIVSA-N -1 3 374.441 0.843 10 0 FCAEHM CC(C)(C)n1ncnc1C[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000409886354 526944215 /nfs/dbraw/zinc/94/42/15/526944215.db2.gz OFRNUHHWIWFDDE-UHFFFAOYSA-N -1 3 372.472 0.915 10 0 FCAEHM CC1(C)NC(=O)N(CC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C1=O ZINC000436868598 534972575 /nfs/dbraw/zinc/97/25/75/534972575.db2.gz AKKSJLAAIVRVFM-UHFFFAOYSA-N -1 3 374.397 0.007 10 0 FCAEHM CC(C)C[C@H](CNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C(=O)[O-] ZINC000424426422 535309154 /nfs/dbraw/zinc/30/91/54/535309154.db2.gz STCSLVWBEOEOSO-HUUCEWRRSA-N -1 3 368.478 0.681 10 0 FCAEHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000443110792 536726073 /nfs/dbraw/zinc/72/60/73/536726073.db2.gz CBXVWJZJWFYPGO-MWLCHTKSSA-N -1 3 358.391 0.935 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCN2C(=O)CC[C@H]2C1 ZINC000329014258 546530643 /nfs/dbraw/zinc/53/06/43/546530643.db2.gz FRYNPVZGPXQNAX-RYUDHWBXSA-N -1 3 369.418 0.326 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N(C(C)C)[C@@H]1CCOC1 ZINC000329623806 546559033 /nfs/dbraw/zinc/55/90/33/546559033.db2.gz AFMXCRKTHWMLKI-WCQYABFASA-N -1 3 359.448 0.984 10 0 FCAEHM CC[C@@H](C)C[C@H]([N-]S(=O)(=O)CCCN1CCOCC1)C(=O)OC ZINC000592068301 546606338 /nfs/dbraw/zinc/60/63/38/546606338.db2.gz VGSXHGJNJRNROT-KGLIPLIRSA-N -1 3 350.481 0.606 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-][C@@H](C(=O)OC(C)(C)C)c2ccnn2C)cn1C ZINC000592106551 546608303 /nfs/dbraw/zinc/60/83/03/546608303.db2.gz WCLLIWDEYXQIHM-CYBMUJFWSA-N -1 3 369.447 0.823 10 0 FCAEHM COC(=O)c1cc(Cl)cc(NC(=O)[C@@H]2CCN(C)S2(=O)=O)c1[O-] ZINC000592799566 546666024 /nfs/dbraw/zinc/66/60/24/546666024.db2.gz RQGRQPIWLJYRHC-JTQLQIEISA-N -1 3 362.791 0.805 10 0 FCAEHM COC(=O)c1cc2c(cc1[N-]S(=O)(=O)N1CCCOCC1)OCO2 ZINC000593212021 546695289 /nfs/dbraw/zinc/69/52/89/546695289.db2.gz WYWWZDOXVJYLTR-UHFFFAOYSA-N -1 3 358.372 0.581 10 0 FCAEHM COC(=O)[C@@H](CCF)[N-]S(=O)(=O)c1cnc2c(Cl)c(C)nn2c1 ZINC000593634561 546725144 /nfs/dbraw/zinc/72/51/44/546725144.db2.gz WTLJIWUILWJYCP-SECBINFHSA-N -1 3 364.786 0.871 10 0 FCAEHM COC(=O)[C@H](CCF)[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F ZINC000593634439 546725422 /nfs/dbraw/zinc/72/54/22/546725422.db2.gz MIZMUSYDSWRMSR-ZETCQYMHSA-N -1 3 350.299 0.440 10 0 FCAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CC[C@]1(O)CCOC1 ZINC000593638177 546733257 /nfs/dbraw/zinc/73/32/57/546733257.db2.gz YZZARSYNGGVTQZ-KOLCDFICSA-N -1 3 363.354 0.331 10 0 FCAEHM CCN1C[C@H](C[N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1=O ZINC000593639961 546734230 /nfs/dbraw/zinc/73/42/30/546734230.db2.gz APVJMDYGFCADAB-NSHDSACASA-N -1 3 358.416 0.830 10 0 FCAEHM COC(=O)[C@@H](CCF)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000593798315 546751580 /nfs/dbraw/zinc/75/15/80/546751580.db2.gz BDGKVJCWTDOTQV-DTWKUNHWSA-N -1 3 352.409 0.432 10 0 FCAEHM COCCN(C)S(=O)(=O)[N-][C@H](Cc1ccncc1)C(=O)OC(C)(C)C ZINC000594491979 546797560 /nfs/dbraw/zinc/79/75/60/546797560.db2.gz VAYCMXIQDPZYCO-CQSZACIVSA-N -1 3 373.475 0.747 10 0 FCAEHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H]1CCNC1=O ZINC000594791734 546825428 /nfs/dbraw/zinc/82/54/28/546825428.db2.gz OAHGTKHYIHDTOJ-VIFPVBQESA-N -1 3 354.409 0.855 10 0 FCAEHM CCOC(=O)CC1(S(=O)(=O)[N-][C@H]2Cc3ccccc3N(C)C2=O)CC1 ZINC000594802966 546827088 /nfs/dbraw/zinc/82/70/88/546827088.db2.gz GJTPSQDGYBZKMV-ZDUSSCGKSA-N -1 3 366.439 0.979 10 0 FCAEHM COC(=O)c1nscc1S(=O)(=O)[N-]C[C@H](OC)[C@H]1CCOC1 ZINC000594805052 546828659 /nfs/dbraw/zinc/82/86/59/546828659.db2.gz RWADSXMJZRDFML-IUCAKERBSA-N -1 3 350.418 0.260 10 0 FCAEHM COC(=O)[C@H](CF)[N-]S(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2 ZINC000594779902 546833206 /nfs/dbraw/zinc/83/32/06/546833206.db2.gz UANZBNYDDMAGPY-JTQLQIEISA-N -1 3 364.420 0.442 10 0 FCAEHM COCc1nc(C[N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)n[nH]1 ZINC000594826902 546838725 /nfs/dbraw/zinc/83/87/25/546838725.db2.gz FYAMYFXPOFRCMI-UHFFFAOYSA-N -1 3 358.376 0.426 10 0 FCAEHM CN(C[C@H](O)CO)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000546829260 547046596 /nfs/dbraw/zinc/04/65/96/547046596.db2.gz PGQPLALHVHTVOQ-JTQLQIEISA-N -1 3 371.390 0.380 10 0 FCAEHM O=C(NCCOc1ccc(F)cc1F)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000546846436 547047524 /nfs/dbraw/zinc/04/75/24/547047524.db2.gz AZDRSFVVFPXYCL-NSHDSACASA-N -1 3 354.313 0.289 10 0 FCAEHM C[C@@H]1CCCN1S(=O)(=O)NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000547438863 547052141 /nfs/dbraw/zinc/05/21/41/547052141.db2.gz ONIVLIAMAJHYHZ-BZNIZROVSA-N -1 3 366.443 0.560 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]Cc2cccc(N3CCOCC3)n2)c1 ZINC000548478664 547061015 /nfs/dbraw/zinc/06/10/15/547061015.db2.gz FELOWOARUZWAKM-UHFFFAOYSA-N -1 3 351.432 0.613 10 0 FCAEHM Cc1nc(C)c(CC(=O)N2CCC[C@@H](S(=O)(=O)N(C)C)C2)c(=O)[n-]1 ZINC000552690947 547224673 /nfs/dbraw/zinc/22/46/73/547224673.db2.gz BDIRCDVNIPKKHK-GFCCVEGCSA-N -1 3 356.448 0.224 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)NCC2(C(F)(F)F)CC2)cn1C ZINC000553531575 547285702 /nfs/dbraw/zinc/28/57/02/547285702.db2.gz CIQVCNABGWUHCL-UHFFFAOYSA-N -1 3 368.381 0.856 10 0 FCAEHM CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000553585685 547291659 /nfs/dbraw/zinc/29/16/59/547291659.db2.gz FFUYHVQNLNIOPG-LLVKDONJSA-N -1 3 365.411 0.114 10 0 FCAEHM COCCN1CCC[C@H]([N-]S(=O)(=O)c2c(C)nn(C)c2Cl)C1 ZINC000730020605 665767402 /nfs/dbraw/zinc/76/74/02/665767402.db2.gz CLDJPKUAIIEIBC-NSHDSACASA-N -1 3 350.872 0.771 10 0 FCAEHM COCCN1CCC[C@@H]([N-]S(=O)(=O)c2c(C)nn(C)c2Cl)C1 ZINC000730020604 665767453 /nfs/dbraw/zinc/76/74/53/665767453.db2.gz CLDJPKUAIIEIBC-LLVKDONJSA-N -1 3 350.872 0.771 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CCSCCCO)c(Br)n1 ZINC000866843427 663138429 /nfs/dbraw/zinc/13/84/29/663138429.db2.gz GYMZEAIIXILPRE-UHFFFAOYSA-N -1 3 358.283 0.577 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NC[C@@H]1CC2(CCC2)CO1 ZINC000899426949 665937930 /nfs/dbraw/zinc/93/79/30/665937930.db2.gz CNRYJJDLRAEFCF-VIFPVBQESA-N -1 3 372.219 0.787 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@@H]([C@@H](C)O)C2)ccc1F ZINC000840567689 663797262 /nfs/dbraw/zinc/79/72/62/663797262.db2.gz UPFVMUCPEASLKR-BXUZGUMPSA-N -1 3 374.434 0.734 10 0 FCAEHM C[C@]1(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)CCCS1(=O)=O ZINC000906990662 666086605 /nfs/dbraw/zinc/08/66/05/666086605.db2.gz GWHUKMPZTKNURH-QGZVFWFLSA-N -1 3 366.439 0.644 10 0 FCAEHM CN(C)CCN(C[C@@H]1CCCO1)C(=O)CCCn1ccc(C(=O)[O-])n1 ZINC000911318572 666337729 /nfs/dbraw/zinc/33/77/29/666337729.db2.gz BINUBXDRSWSYHZ-AWEZNQCLSA-N -1 3 352.435 0.931 10 0 FCAEHM COCCN(CCOC)C1CN(C(=O)c2c(C)[n-]c(=O)nc2SC)C1 ZINC000911859571 666377210 /nfs/dbraw/zinc/37/72/10/666377210.db2.gz KWROSBPEDFDORV-UHFFFAOYSA-N -1 3 370.475 0.632 10 0 FCAEHM O=S(=O)([N-][C@H]1c2ccccc2OC[C@H]1F)C1CCS(=O)(=O)CC1 ZINC000921318795 666432154 /nfs/dbraw/zinc/43/21/54/666432154.db2.gz CTFRWNMUUWAIDO-OCCSQVGLSA-N -1 3 363.432 0.955 10 0 FCAEHM COC(=O)[C@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)CCn1ccnc1 ZINC000921385561 666443449 /nfs/dbraw/zinc/44/34/49/666443449.db2.gz WWNZHJYYAVYOOM-AWEZNQCLSA-N -1 3 355.391 0.726 10 0 FCAEHM CO[C@@]1(C[N-]S(=O)(=O)c2ccc(Cl)cc2F)CCS(=O)(=O)C1 ZINC000921465267 666448609 /nfs/dbraw/zinc/44/86/09/666448609.db2.gz CDGZCJFZHMISLO-GFCCVEGCSA-N -1 3 371.839 0.961 10 0 FCAEHM CO[C@]1(C[N-]S(=O)(=O)c2cc(F)c(C)cc2F)CCS(=O)(=O)C1 ZINC000921465244 666448625 /nfs/dbraw/zinc/44/86/25/666448625.db2.gz BLGCVXQWFRTTHF-ZDUSSCGKSA-N -1 3 369.411 0.755 10 0 FCAEHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCC(=O)NCc2ccco2)c1 ZINC000055136341 666539138 /nfs/dbraw/zinc/53/91/38/666539138.db2.gz WRNIEWDFFRESNK-UHFFFAOYSA-N -1 3 367.383 0.403 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCN(C)[C@H](CO)C2)ccc1F ZINC000913553829 666540409 /nfs/dbraw/zinc/54/04/09/666540409.db2.gz RPXDHMWVPKIIMC-ZDUSSCGKSA-N -1 3 373.450 0.261 10 0 FCAEHM COC(=O)[C@]1([N-]S(=O)(=O)c2cc(F)c(OC)cc2F)CCOC1 ZINC000914239547 666730342 /nfs/dbraw/zinc/73/03/42/666730342.db2.gz HMGJLDBEXWGZBY-ZDUSSCGKSA-N -1 3 351.327 0.584 10 0 FCAEHM COCC1([N-]S(=O)(=O)c2cnn(C)c2I)CC1 ZINC000866972078 666844961 /nfs/dbraw/zinc/84/49/61/666844961.db2.gz MIVRNXHGXWLWJO-UHFFFAOYSA-N -1 3 371.200 0.482 10 0 FCAEHM CC[S@](=O)CCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000733878063 666939819 /nfs/dbraw/zinc/93/98/19/666939819.db2.gz FCYYFSGOPIDYJC-QFIPXVFZSA-N -1 3 362.448 0.765 10 0 FCAEHM CC[C@@H]([N-]S(=O)(=O)c1cnn2c1OCC(C)(C)C2)[C@@H](O)C(F)F ZINC000916033588 666988884 /nfs/dbraw/zinc/98/88/84/666988884.db2.gz ZMROAHVMZTVDAN-PSASIEDQSA-N -1 3 353.391 0.985 10 0 FCAEHM O=S(=O)([N-]C[C@H]1CN2CCN1CCC2)c1cccnc1C(F)(F)F ZINC000917062462 667050930 /nfs/dbraw/zinc/05/09/30/667050930.db2.gz WQRLSKFTZCSDEA-NSHDSACASA-N -1 3 364.393 0.769 10 0 FCAEHM O=S(=O)([N-][C@H](CO)CN1CCOCC1)c1cnccc1C(F)(F)F ZINC000918982339 667146312 /nfs/dbraw/zinc/14/63/12/667146312.db2.gz VVUGMBUZWHWTPL-JTQLQIEISA-N -1 3 369.365 0.072 10 0 FCAEHM O=S(=O)([N-][C@@H](CO)CN1CCOCC1)c1c(Cl)cccc1Cl ZINC000918987719 667148727 /nfs/dbraw/zinc/14/87/27/667148727.db2.gz DZKGXMMCRVAZAF-SNVBAGLBSA-N -1 3 369.270 0.965 10 0 FCAEHM CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]C[C@H]1CCC2(CCOCC2)O1 ZINC000921674954 667221294 /nfs/dbraw/zinc/22/12/94/667221294.db2.gz RPUVTYHCJKIXJP-FIKIJFGZSA-N -1 3 355.482 0.123 10 0 FCAEHM CCN(C(=O)C[N-]S(=O)(=O)C[C@@H]1CN(C)CCO1)c1ccccc1 ZINC000921004146 667262941 /nfs/dbraw/zinc/26/29/41/667262941.db2.gz XRPDREWGLCEEGE-HNNXBMFYSA-N -1 3 355.460 0.290 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]CC[C@H]2CC(=O)N(C)C2)c(F)c1 ZINC000921060290 667266954 /nfs/dbraw/zinc/26/69/54/667266954.db2.gz XQDMQOBBSOPLBQ-JTQLQIEISA-N -1 3 358.391 0.759 10 0 FCAEHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]CC[C@H](C)[S@@](C)=O ZINC000751505393 667473381 /nfs/dbraw/zinc/47/33/81/667473381.db2.gz IPTJUQDZRCGKAU-HXNGOWOSSA-N -1 3 368.864 0.957 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)CC(=O)NC(C)(C)C)ccc1F ZINC000752398622 667513712 /nfs/dbraw/zinc/51/37/12/667513712.db2.gz JNQBPWYCXJRZRW-UHFFFAOYSA-N -1 3 359.423 0.721 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)ccc1F ZINC000752416156 667514838 /nfs/dbraw/zinc/51/48/38/667514838.db2.gz FASRGNPDRWJZDL-GXSJLCMTSA-N -1 3 357.407 0.508 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cnc(N(C)C)nc2)ccc1F ZINC000752435554 667515117 /nfs/dbraw/zinc/51/51/17/667515117.db2.gz OGUJYOHOOBXIGY-UHFFFAOYSA-N -1 3 353.379 0.842 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(C3CC3)C(=O)C2)ccc1F ZINC000752472065 667518012 /nfs/dbraw/zinc/51/80/12/667518012.db2.gz NHLOAHGXSJJWTO-UHFFFAOYSA-N -1 3 355.391 0.181 10 0 FCAEHM Cn1nccc1[C@@H](O)C[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000921966509 667555807 /nfs/dbraw/zinc/55/58/07/667555807.db2.gz KQTBTLGUGWRPQR-JTQLQIEISA-N -1 3 361.221 0.590 10 0 FCAEHM CCC1(CC)CNC(=O)[C@@H]1[N-]S(=O)(=O)C[C@H](OC)C1CCOCC1 ZINC000922037721 667572408 /nfs/dbraw/zinc/57/24/08/667572408.db2.gz FMAQZYJPNKVOPN-KBPBESRZSA-N -1 3 362.492 0.652 10 0 FCAEHM CC(C)O[C@]1(CS(=O)(=O)[N-]Cc2noc3c2COCC3)CCOC1 ZINC000922076073 667582889 /nfs/dbraw/zinc/58/28/89/667582889.db2.gz HCOJOWRDUQGBIY-OAHLLOKOSA-N -1 3 360.432 0.751 10 0 FCAEHM COC(=O)[C@@H](F)CNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000838068043 667917409 /nfs/dbraw/zinc/91/74/09/667917409.db2.gz KQVJFRKGUHEXJO-LURJTMIESA-N -1 3 358.800 0.307 10 0 FCAEHM NC(=O)N[C@@H]1CCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C1 ZINC000762752183 667929463 /nfs/dbraw/zinc/92/94/63/667929463.db2.gz RIPZXDPNZMOTCY-LLVKDONJSA-N -1 3 370.406 0.149 10 0 FCAEHM C[C@H]1NC(=O)N(CCN2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)C1=O ZINC000839014279 667970614 /nfs/dbraw/zinc/97/06/14/667970614.db2.gz UKEPKKPNZLDNKF-VLEAKVRGSA-N -1 3 364.368 0.704 10 0 FCAEHM CC[S@](=O)CCNC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000741418877 668019587 /nfs/dbraw/zinc/01/95/87/668019587.db2.gz BJKZGEGEMKFRIB-DEOSSOPVSA-N -1 3 353.444 0.628 10 0 FCAEHM C[C@@H]1OCC[C@H]1S(=O)(=O)[N-]N1C(=O)N[C@@](C)(c2ccccc2)C1=O ZINC000767542602 668055422 /nfs/dbraw/zinc/05/54/22/668055422.db2.gz UKEQEDOXVCVIDJ-NVBFEUDRSA-N -1 3 353.400 0.465 10 0 FCAEHM COC(=O)[C@H](OC(=O)c1ccc(S(=O)(=O)[N-]CCO)s1)C1CC1 ZINC000772159868 668291991 /nfs/dbraw/zinc/29/19/91/668291991.db2.gz RUWHPVQITCMDNV-LLVKDONJSA-N -1 3 363.413 0.127 10 0 FCAEHM COC(C)(C)CCOC(=O)c1ccc(S(=O)(=O)[N-]CCO)s1 ZINC000787724881 668807280 /nfs/dbraw/zinc/80/72/80/668807280.db2.gz ZUCOVYDJDTUPQB-UHFFFAOYSA-N -1 3 351.446 0.991 10 0 FCAEHM COc1cc2c(c(OC)c1)S(=O)(=O)N(Cc1cc(=O)c([O-])co1)C2=O ZINC000790026956 668870037 /nfs/dbraw/zinc/87/00/37/668870037.db2.gz OBXKKGVBYHHOHU-UHFFFAOYSA-N -1 3 367.335 0.707 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)OCCC2CS(=O)(=O)C2)c(C)o1 ZINC000790662004 668880397 /nfs/dbraw/zinc/88/03/97/668880397.db2.gz VPIVVEREBFBDDQ-UHFFFAOYSA-N -1 3 351.402 0.088 10 0 FCAEHM O=C([N-][C@@H](CO)CN1CCOCC1)C(F)(F)c1c(F)cccc1F ZINC000820015747 669048558 /nfs/dbraw/zinc/04/85/58/669048558.db2.gz MBFFTCCBRHCRMD-SNVBAGLBSA-N -1 3 350.312 0.866 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]N1C(=O)N[C@](C)(c2ccccc2)C1=O)C1CC1 ZINC000827523476 669575485 /nfs/dbraw/zinc/57/54/85/669575485.db2.gz FBGFTQYLCYITNE-XJKSGUPXSA-N -1 3 367.427 0.713 10 0 FCAEHM CCOC(=O)[C@@H](CO)[N-]C(=O)C(F)(F)n1cc(-c2ccccc2)nn1 ZINC000831519013 669849384 /nfs/dbraw/zinc/84/93/84/669849384.db2.gz IWPDJYAMVIIARP-GFCCVEGCSA-N -1 3 354.313 0.535 10 0 FCAEHM Cn1ncc(C[N-]S(=O)(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)n1 ZINC000831529141 669849605 /nfs/dbraw/zinc/84/96/05/669849605.db2.gz UMJCCIAUXQHRET-UHFFFAOYSA-N -1 3 364.836 0.351 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@H]1CCCCN1CCO ZINC000831805430 669868614 /nfs/dbraw/zinc/86/86/14/669868614.db2.gz XJMNMTRBRCYBSH-LLVKDONJSA-N -1 3 350.872 0.507 10 0 FCAEHM Cn1ccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)c3nonc32)n1 ZINC000814390206 669882809 /nfs/dbraw/zinc/88/28/09/669882809.db2.gz AWONRBCZKSDGII-UHFFFAOYSA-N -1 3 370.778 0.527 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]C2COC(C)(C)OC2)c(Br)n1 ZINC000867099822 669938941 /nfs/dbraw/zinc/93/89/41/669938941.db2.gz ATUNTPQOFCEBJW-UHFFFAOYSA-N -1 3 354.226 0.612 10 0 FCAEHM CCO[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867104896 669940177 /nfs/dbraw/zinc/94/01/77/669940177.db2.gz IHPJDGWWHPTDCO-DTWKUNHWSA-N -1 3 368.253 0.655 10 0 FCAEHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cn(C)nc2Br)[C@@H]1OC ZINC000867107194 669941691 /nfs/dbraw/zinc/94/16/91/669941691.db2.gz RUSCUUFGFWGMFZ-MRTMQBJTSA-N -1 3 368.253 0.653 10 0 FCAEHM COC(=O)Nc1ccc(C(=O)OCCN2C(=O)N[C@H](C)C2=O)cc1[O-] ZINC000837554611 670115213 /nfs/dbraw/zinc/11/52/13/670115213.db2.gz FZQOMNVSBSDHPI-MRVPVSSYSA-N -1 3 351.315 0.668 10 0 FCAEHM CS(=O)(=O)NCCOC(=O)c1cc(Br)c(F)cc1[O-] ZINC000837780862 670129418 /nfs/dbraw/zinc/12/94/18/670129418.db2.gz SPBSVYGZGJXROV-UHFFFAOYSA-N -1 3 356.169 1.000 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CCC2(O)CCOCC2)c(Br)n1 ZINC000867259121 670546475 /nfs/dbraw/zinc/54/64/75/670546475.db2.gz NBBZMFMXJLVVDH-UHFFFAOYSA-N -1 3 368.253 0.393 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC(C)(C(N)=O)C2)ccc1F ZINC000843940611 670872166 /nfs/dbraw/zinc/87/21/66/670872166.db2.gz XYRDFUKUPZUWPW-UHFFFAOYSA-N -1 3 357.407 0.460 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CCCc2nncn2C)c(Br)n1 ZINC000867380357 670967870 /nfs/dbraw/zinc/96/78/70/670967870.db2.gz HEHUFRBQNSTUGP-UHFFFAOYSA-N -1 3 363.241 0.222 10 0 FCAEHM COC(=O)C[C@@]1([N-]S(=O)(=O)CC2(OC)CCOCC2)CCCOC1 ZINC000845909664 671050302 /nfs/dbraw/zinc/05/03/02/671050302.db2.gz DLGMJALVBAJJMC-AWEZNQCLSA-N -1 3 365.448 0.214 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](CCF)C(=O)OC)cc(F)c1F ZINC000845975383 671059941 /nfs/dbraw/zinc/05/99/41/671059941.db2.gz IDMULTXHKJJNHT-SNVBAGLBSA-N -1 3 369.317 0.931 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NCC[C@]2(O)CCOC2)ccc1F ZINC000846443810 671111306 /nfs/dbraw/zinc/11/13/06/671111306.db2.gz DMYVGCLNMCJQSI-INIZCTEOSA-N -1 3 374.434 0.784 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CN(C3CC3)C(=O)O2)ccc1F ZINC000848366250 671272241 /nfs/dbraw/zinc/27/22/41/671272241.db2.gz QEXFZRKMWJGRAR-LLVKDONJSA-N -1 3 371.390 0.447 10 0 FCAEHM CNC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)cc(C)c1F)C(C)C ZINC000848446806 671276127 /nfs/dbraw/zinc/27/61/27/671276127.db2.gz ZPUMXPSPYVXPCM-ZDUSSCGKSA-N -1 3 360.407 0.970 10 0 FCAEHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]C[C@@](C)(CO)OC ZINC000848467390 671278945 /nfs/dbraw/zinc/27/89/45/671278945.db2.gz OFJOYHICXNICMZ-LBPRGKRZSA-N -1 3 352.796 0.197 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CCC2(CS(C)(=O)=O)CC2)nc1Cl ZINC000849415048 671340081 /nfs/dbraw/zinc/34/00/81/671340081.db2.gz GQAVLEFKWMVCKY-UHFFFAOYSA-N -1 3 355.869 0.567 10 0 FCAEHM O=C(c1ccccc1)N1CC(S(=O)(=O)[N-][C@@H]2CCCC23OCCO3)C1 ZINC000851814837 671469750 /nfs/dbraw/zinc/46/97/50/671469750.db2.gz DHTVJITWJFOGMM-OAHLLOKOSA-N -1 3 366.439 0.726 10 0 FCAEHM C[C@@H]1CCN(C[C@H]2CCN(S(C)(=O)=O)C2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000852756277 671523618 /nfs/dbraw/zinc/52/36/18/671523618.db2.gz BLVOTGMXMYBHJV-UTUOFQBUSA-N -1 3 371.425 0.657 10 0 FCAEHM CS(=O)(=O)Nc1ccc(C=CC(=O)NCCCc2cc(=O)[nH][n-]2)cc1 ZINC000854487963 671580948 /nfs/dbraw/zinc/58/09/48/671580948.db2.gz QINHPACOIWTYCH-RMKNXTFCSA-N -1 3 364.427 0.844 10 0 FCAEHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCNC2=O)ccc1F ZINC000855145534 671627843 /nfs/dbraw/zinc/62/78/43/671627843.db2.gz YRZUIYVWHSSEPX-NSHDSACASA-N -1 3 357.407 0.521 10 0 FCAEHM Cc1nc(CS(=O)(=O)[N-]CC(=O)N(C)OCC(F)(F)F)cs1 ZINC000856762407 671700536 /nfs/dbraw/zinc/70/05/36/671700536.db2.gz IAVFKXCENPQUGY-UHFFFAOYSA-N -1 3 361.367 0.823 10 0 FCAEHM CC1(C)C[C@H](S(=O)(=O)[N-]N2C(=O)N[C@](C)(c3ccccc3)C2=O)CO1 ZINC000859135424 671795728 /nfs/dbraw/zinc/79/57/28/671795728.db2.gz ULGRZACROKUMJE-BLLLJJGKSA-N -1 3 367.427 0.856 10 0 FCAEHM COC(=O)[C@]1(OC)CCN(CC(=O)[N-]C(=O)c2ccc(OC)cc2)C1 ZINC000859557468 671836870 /nfs/dbraw/zinc/83/68/70/671836870.db2.gz CDGITGUQRDRTBY-KRWDZBQOSA-N -1 3 350.371 0.216 10 0 FCAEHM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2cc(S(N)(=O)=O)cc(F)c2C)C1=O ZINC000861449961 671962511 /nfs/dbraw/zinc/96/25/11/671962511.db2.gz ZXUFLUAINZJEJK-CQSZACIVSA-N -1 3 372.378 0.147 10 0 FCAEHM CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](F)C(=O)[N-]c2nnc3[nH]cnn23)C1 ZINC000861763892 671992900 /nfs/dbraw/zinc/99/29/00/671992900.db2.gz CZFYBKYSBKWDQS-RKDXNWHRSA-N -1 3 353.358 0.986 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CC=C(C(=O)OC)C2)ccc1F ZINC000862665405 672064563 /nfs/dbraw/zinc/06/45/63/672064563.db2.gz YIAAWRLGPFAAPU-LLVKDONJSA-N -1 3 356.375 0.725 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2COCCC2=O)ccc1F ZINC000862932884 672087770 /nfs/dbraw/zinc/08/77/70/672087770.db2.gz VHEFICSDVGVILQ-GFCCVEGCSA-N -1 3 358.391 0.600 10 0 FCAEHM CNS(=O)(=O)C[C@H]1CCCN(C(=O)c2nnc3ccccc3c2[O-])C1 ZINC000863825337 672156598 /nfs/dbraw/zinc/15/65/98/672156598.db2.gz NIOPYWLDVVHVOJ-NSHDSACASA-N -1 3 364.427 0.737 10 0 FCAEHM CC[S@@](C)(=O)=NS(=O)(=O)[N-]Cc1ccccc1N1CCOCC1 ZINC000866583821 672283524 /nfs/dbraw/zinc/28/35/24/672283524.db2.gz WGDOMJSPJDIYBF-JOCHJYFZSA-N -1 3 361.489 0.975 10 0 FCAEHM CC[S@@](C)(=O)=NS(=O)(=O)[N-]C1CCN(C(=O)CC(C)C)CC1 ZINC000866615093 672284724 /nfs/dbraw/zinc/28/47/24/672284724.db2.gz BBUOFXOXXKRCRN-OAQYLSRUSA-N -1 3 353.510 0.976 10 0 FCAEHM CC(C)N1C[C@@H]([N-]S(=O)(=O)c2cn(C)nc2Br)CC1=O ZINC000866701978 672289200 /nfs/dbraw/zinc/28/92/00/672289200.db2.gz YENXEOHMINDSKO-QMMMGPOBSA-N -1 3 365.253 0.470 10 0 FCAEHM CNC(=O)C1([N-]S(=O)(=O)c2cn(C)nc2Br)CCCC1 ZINC000866700255 672289291 /nfs/dbraw/zinc/28/92/91/672289291.db2.gz UTMJWZRMTXYURJ-UHFFFAOYSA-N -1 3 365.253 0.520 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-]CCCN2CCOC2=O)c1Br ZINC000866728946 672293530 /nfs/dbraw/zinc/29/35/30/672293530.db2.gz KOSSCNYNBPKAGF-UHFFFAOYSA-N -1 3 367.225 0.303 10 0 FCAEHM Cc1ccccc1CN1CCO[C@@H](C[N-]S(=O)(=O)c2nncn2C)C1 ZINC000867735110 672360360 /nfs/dbraw/zinc/36/03/60/672360360.db2.gz ZBOIJPPGOVNJQL-HNNXBMFYSA-N -1 3 365.459 0.303 10 0 FCAEHM Cc1cc(F)c(S(=O)(=O)[N-]C[C@]23COC(=O)N2CCOC3)cc1F ZINC000867749301 672362844 /nfs/dbraw/zinc/36/28/44/672362844.db2.gz MKKRCTSRFOYZMH-AWEZNQCLSA-N -1 3 362.354 0.773 10 0 FCAEHM O=C1OC[C@@]2(C[N-]S(=O)(=O)c3cc(F)ccc3Cl)COCCN12 ZINC000867749785 672362954 /nfs/dbraw/zinc/36/29/54/672362954.db2.gz QBXQXRBQLVQIIC-CYBMUJFWSA-N -1 3 364.782 0.979 10 0 FCAEHM O=C(NCC[C@H](O)C(F)F)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC000870421721 672491220 /nfs/dbraw/zinc/49/12/20/672491220.db2.gz LRGAWZCMTKGWES-JTQLQIEISA-N -1 3 357.288 0.620 10 0 FCAEHM O=C(NCC[C@H](O)C(F)F)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000870421721 672491226 /nfs/dbraw/zinc/49/12/26/672491226.db2.gz LRGAWZCMTKGWES-JTQLQIEISA-N -1 3 357.288 0.620 10 0 FCAEHM CO[C@@H]1CC[C@@H](C)N(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC000870709038 672506285 /nfs/dbraw/zinc/50/62/85/672506285.db2.gz YNXHFWJTLBWPIB-RKDXNWHRSA-N -1 3 360.208 0.737 10 0 FCAEHM COc1ccc(CCC(=O)[N-]OC[C@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000871798758 672571123 /nfs/dbraw/zinc/57/11/23/672571123.db2.gz RYKZCOPVXSURHO-AWEZNQCLSA-N -1 3 356.444 0.957 10 0 FCAEHM COC(OC)[C@@H](C)NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000923674642 673061655 /nfs/dbraw/zinc/06/16/55/673061655.db2.gz SSNKUFZWOYOOMO-GFCCVEGCSA-N -1 3 351.403 0.867 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]C[C@]1(C(F)(F)F)CCCN1)[C@H]1CCOC1 ZINC000923685733 673466194 /nfs/dbraw/zinc/46/61/94/673466194.db2.gz NKIAKCPUNFUBJH-TUAOUCFPSA-N -1 3 360.398 0.642 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC(=O)N(C)[C@H]2c2nccn2C)o1 ZINC000886079433 673557174 /nfs/dbraw/zinc/55/71/74/673557174.db2.gz ZYINTUKGHJIZQC-BXUZGUMPSA-N -1 3 352.416 0.962 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2OCCN(C)[C@H]2c2ccnn2C)o1 ZINC000886093479 673557544 /nfs/dbraw/zinc/55/75/44/673557544.db2.gz ZVEMTVGACBNNGX-ZFWWWQNUSA-N -1 3 354.432 0.672 10 0 FCAEHM CC[C@H](CNC(=O)C(=O)N(CCN(C)C)Cc1cccs1)C(=O)[O-] ZINC000927956078 673893942 /nfs/dbraw/zinc/89/39/42/673893942.db2.gz MSVQMRNHSMADDN-GFCCVEGCSA-N -1 3 355.460 0.865 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H]2CCCN3CCSC[C@H]23)cn1 ZINC000928075757 673898075 /nfs/dbraw/zinc/89/80/75/673898075.db2.gz OWUSXYPKEGYTQZ-QWHCGFSZSA-N -1 3 370.500 0.763 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H]2CCCN3CCSC[C@@H]23)cn1 ZINC000928075758 673898439 /nfs/dbraw/zinc/89/84/39/673898439.db2.gz OWUSXYPKEGYTQZ-STQMWFEESA-N -1 3 370.500 0.763 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN3CCSC[C@@H]23)o1 ZINC000928094446 673900313 /nfs/dbraw/zinc/90/03/13/673900313.db2.gz QFGOJGIZFCFAPG-MNOVXSKESA-N -1 3 359.473 0.497 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCN(C[C@H](O)C2(O)CCOCC2)CC1 ZINC000929991792 673990576 /nfs/dbraw/zinc/99/05/76/673990576.db2.gz JNSFXGYBLZPMSH-INIZCTEOSA-N -1 3 350.415 0.052 10 0 FCAEHM COC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)C(N)=O ZINC000800926863 675716583 /nfs/dbraw/zinc/71/65/83/675716583.db2.gz XXNDVHLDUPBELV-MRVPVSSYSA-N -1 3 371.640 0.881 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@H](C(F)F)C2)ccc1F ZINC000801115411 675738955 /nfs/dbraw/zinc/73/89/55/675738955.db2.gz OHFCMLKUPSSTRX-JTQLQIEISA-N -1 3 352.334 0.840 10 0 FCAEHM O=C(NCC1CC1)C(=O)N1C[C@H]2CCN(C(=O)c3ccccc3[O-])C[C@H]2C1 ZINC001719581756 1168441372 /nfs/dbraw/zinc/44/13/72/1168441372.db2.gz UACXCLYQYUNPRJ-CABCVRRESA-N -1 3 371.437 0.839 10 0 FCAEHM C[C@H]1CN(C2CC2)CCN1C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC001648855389 1169055308 /nfs/dbraw/zinc/05/53/08/1169055308.db2.gz ZBNODJRPAMGUIO-NSHDSACASA-N -1 3 373.425 0.938 10 0 FCAEHM CCCOCC(=O)N1C[C@@H](CNC(=O)c2c(C)nc[n-]c2=O)[C@H](C)C1 ZINC001719728895 1179811552 /nfs/dbraw/zinc/81/15/52/1179811552.db2.gz QGOHYKFZGLFDJV-DGCLKSJQSA-N -1 3 350.419 0.742 10 0 FCAEHM CO[C@@H](C)CC(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2cnc[n-]c2=O)C1 ZINC001719759878 1179899082 /nfs/dbraw/zinc/89/90/82/1179899082.db2.gz XRYGTZUQXKXPEM-FRRDWIJNSA-N -1 3 350.419 0.822 10 0 FCAEHM C[C@@H](NC(=O)NCc1nc2c(c(=O)[n-]1)COCC2)[C@@H](O)C(F)(F)F ZINC001687390596 1188338186 /nfs/dbraw/zinc/33/81/86/1188338186.db2.gz DCQBIPBWHAGYOC-LHLIQPBNSA-N -1 3 350.297 0.366 10 0 FCAEHM c1nc2nc(=N[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)cc(N[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)n2[n-]1 ZINC000897076189 1190683747 /nfs/dbraw/zinc/68/37/47/1190683747.db2.gz VUGCHBMHWWBGPZ-OHUABBEGSA-N -1 3 366.425 0.722 10 0 FCAEHM Cn1cnnc1CCCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000552475811 1193931456 /nfs/dbraw/zinc/93/14/56/1193931456.db2.gz YFSBCPSCFAEMSC-AWEZNQCLSA-N -1 3 357.414 0.874 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000898735566 1194072818 /nfs/dbraw/zinc/07/28/18/1194072818.db2.gz WGMAUTAWIXTJAU-GHMZBOCLSA-N -1 3 364.352 0.946 10 0 FCAEHM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H](O)CNCc1cc(=O)n2[n-]ccc2n1 ZINC001272468943 1197107491 /nfs/dbraw/zinc/10/74/91/1197107491.db2.gz BEVXVELERMONCY-MGPQQGTHSA-N -1 3 361.446 0.272 10 0 FCAEHM Cc1cc(N2CC[C@H](OC(=O)Cc3c(C)nc(C)[n-]c3=O)C2=O)n(C)n1 ZINC000744737481 1198327662 /nfs/dbraw/zinc/32/76/62/1198327662.db2.gz VLTZQCRUSYYCOQ-ZDUSSCGKSA-N -1 3 359.386 0.732 10 0 FCAEHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)[C@H](C)N1C(=O)[C@@H]3CCCC[C@@H]3C1=O)C2 ZINC001168929703 1199040775 /nfs/dbraw/zinc/04/07/75/1199040775.db2.gz KAFNAIRIWZDHBA-ZMLRMANQSA-N -1 3 358.398 0.897 10 0 FCAEHM C[C@H](CO[N-]C(=O)CCCN1C(=O)CN(C)C1=O)NC(=O)OC(C)(C)C ZINC000767175883 1199113492 /nfs/dbraw/zinc/11/34/92/1199113492.db2.gz CLNXIMISYWDFNK-LLVKDONJSA-N -1 3 372.422 0.622 10 0 FCAEHM Cn1ncc(NC(=O)C(=O)NCCNC(=O)c2ccc([O-])cc2)c1C1CC1 ZINC000770723265 1200474816 /nfs/dbraw/zinc/47/48/16/1200474816.db2.gz IJJAPLRQAHMRHT-UHFFFAOYSA-N -1 3 371.397 0.488 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)CC2CN(C(=O)OC(C)(C)C)C2)[n-]1 ZINC000787904676 1200916932 /nfs/dbraw/zinc/91/69/32/1200916932.db2.gz ASQYTZFTALHYTM-UHFFFAOYSA-N -1 3 367.406 0.855 10 0 FCAEHM C=C1c2ccccc2C(=O)N1CC(=O)NCc1nnc(C(=O)OCC)[n-]1 ZINC000787905946 1200917234 /nfs/dbraw/zinc/91/72/34/1200917234.db2.gz JWWLMKZTBQNXDI-UHFFFAOYSA-N -1 3 355.354 0.724 10 0 FCAEHM C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCCc3c(=O)[n-]cnc31)C2=O ZINC001132783842 1202967282 /nfs/dbraw/zinc/96/72/82/1202967282.db2.gz XQYDLRWAGYNCHQ-BBATYDOGSA-N -1 3 373.413 0.962 10 0 FCAEHM CN(Cc1nccn1C)C(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001135640570 1203072942 /nfs/dbraw/zinc/07/29/42/1203072942.db2.gz LQAUYYGOYZVZEN-UHFFFAOYSA-N -1 3 357.345 0.880 10 0 FCAEHM CN(Cc1nccn1C)C(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001135640570 1203072944 /nfs/dbraw/zinc/07/29/44/1203072944.db2.gz LQAUYYGOYZVZEN-UHFFFAOYSA-N -1 3 357.345 0.880 10 0 FCAEHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)[C@@H]1C[C@@H](O)CN1c1ccncn1 ZINC001136497475 1203216525 /nfs/dbraw/zinc/21/65/25/1203216525.db2.gz LETYPLIQXYQTIK-OLZOCXBDSA-N -1 3 352.358 0.235 10 0 FCAEHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@@H](O)CN1c1ccncn1 ZINC001136497475 1203216528 /nfs/dbraw/zinc/21/65/28/1203216528.db2.gz LETYPLIQXYQTIK-OLZOCXBDSA-N -1 3 352.358 0.235 10 0 FCAEHM Cc1cc(=O)[n-]c(CNC(=O)[C@H](O)[C@@](O)(c2ccccc2)C(F)(F)F)n1 ZINC001144555276 1204549831 /nfs/dbraw/zinc/54/98/31/1204549831.db2.gz BOXJWHBBSSQWQA-ZFWWWQNUSA-N -1 3 371.315 0.918 10 0 FCAEHM O=C(CCCc1nnn[n-]1)NCCCCN1CCN(c2ncccn2)CC1 ZINC001144622982 1204566497 /nfs/dbraw/zinc/56/64/97/1204566497.db2.gz KMSNLPCTSOLRSD-UHFFFAOYSA-N -1 3 373.465 0.031 10 0 FCAEHM O=C(CCCc1nn[n-]n1)NCCCCN1CCN(c2ncccn2)CC1 ZINC001144622982 1204566504 /nfs/dbraw/zinc/56/65/04/1204566504.db2.gz KMSNLPCTSOLRSD-UHFFFAOYSA-N -1 3 373.465 0.031 10 0 FCAEHM COC(=O)[C@H](NC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])C1CC1 ZINC001148611354 1204836698 /nfs/dbraw/zinc/83/66/98/1204836698.db2.gz XORIISKHJRCMSP-CQSZACIVSA-N -1 3 361.329 0.555 10 0 FCAEHM COC(=O)[C@H](NC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O)C1CC1 ZINC001148611354 1204836699 /nfs/dbraw/zinc/83/66/99/1204836699.db2.gz XORIISKHJRCMSP-CQSZACIVSA-N -1 3 361.329 0.555 10 0 FCAEHM Cn1cc(-c2n[nH]cc2C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)cn1 ZINC001180027252 1206387953 /nfs/dbraw/zinc/38/79/53/1206387953.db2.gz HSFROAGTXFBKSS-NSHDSACASA-N -1 3 354.374 0.315 10 0 FCAEHM Cn1ccc(-c2cc(C(=O)N[C@H]3CCN(c4cc(=O)[n-]cn4)C3)[nH]n2)c1 ZINC001180028641 1206388096 /nfs/dbraw/zinc/38/80/96/1206388096.db2.gz SUGUPMVXIOIAPS-LBPRGKRZSA-N -1 3 353.386 0.920 10 0 FCAEHM COC(=O)[C@@H]1CN(C)C(=O)CN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC001198428076 1208249501 /nfs/dbraw/zinc/24/95/01/1208249501.db2.gz AOYURCPOIDODDT-NSHDSACASA-N -1 3 370.365 0.897 10 0 FCAEHM C[C@H]1CC[C@@](CO)(NCc2cc(=O)n3nc(N)[n-]c3n2)c2ccccc21 ZINC001198695418 1208279493 /nfs/dbraw/zinc/27/94/93/1208279493.db2.gz OCPHYTQWKQDQJL-VOJFVSQTSA-N -1 3 354.414 0.875 10 0 FCAEHM Cc1cn(C(C)(C)C(=O)NC[C@H]2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)cn1 ZINC001488918307 1208575507 /nfs/dbraw/zinc/57/55/07/1208575507.db2.gz QPZJRVCMLFULGV-QWHCGFSZSA-N -1 3 361.450 0.825 10 0 FCAEHM O=C(CN1CCCCCC1=O)NC[C@H]1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001488966535 1208589233 /nfs/dbraw/zinc/58/92/33/1208589233.db2.gz FDEDUEFTHPNUOI-QWHCGFSZSA-N -1 3 364.450 0.287 10 0 FCAEHM CC[C@@H](NCc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)n1)C(N)=O ZINC001489076455 1208619773 /nfs/dbraw/zinc/61/97/73/1208619773.db2.gz LSNKRCNRGRKBMJ-JHJVBQTASA-N -1 3 363.462 0.834 10 0 FCAEHM Cc1oncc1CN1CC[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)[C@H]1C ZINC001489298260 1208730025 /nfs/dbraw/zinc/73/00/25/1208730025.db2.gz XKSDABVSSZMLLU-RISCZKNCSA-N -1 3 361.402 0.002 10 0 FCAEHM CO[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1NC(=O)C(C)(C)C(F)F ZINC001489544861 1208906606 /nfs/dbraw/zinc/90/66/06/1208906606.db2.gz XCDFJGQDCWYPFC-NXEZZACHSA-N -1 3 358.345 0.429 10 0 FCAEHM CC(C)n1ccc(CC(=O)NC[C@H]2CC[C@@H](NC(=O)c3cn[n-]n3)C2)n1 ZINC001489897621 1209140264 /nfs/dbraw/zinc/14/02/64/1209140264.db2.gz GZIAQEDVJQPDHA-QWHCGFSZSA-N -1 3 359.434 0.840 10 0 FCAEHM CCC(CC)C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@]23C[C@H]2COC3)n1 ZINC001489968246 1209184703 /nfs/dbraw/zinc/18/47/03/1209184703.db2.gz DDEJYGRFPZOYJA-SGTLLEGYSA-N -1 3 362.430 0.887 10 0 FCAEHM CC=C(C)C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)n1 ZINC001489969374 1209185877 /nfs/dbraw/zinc/18/58/77/1209185877.db2.gz FPIUWQBVEOXKMK-BAICCYNDSA-N -1 3 360.414 0.948 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)CNC(=O)CC(C)(C)C ZINC001490005490 1209208659 /nfs/dbraw/zinc/20/86/59/1209208659.db2.gz UAQYDXUUTGSTCX-WCQYABFASA-N -1 3 364.450 0.466 10 0 FCAEHM Cc1nc(C)c(CC(=O)N2CC[C@H](NC(=O)CC(C)(C)O)[C@H]2C)c(=O)[n-]1 ZINC001490089123 1209249647 /nfs/dbraw/zinc/24/96/47/1209249647.db2.gz HDYSVRNJXCLXPE-RISCZKNCSA-N -1 3 364.446 0.608 10 0 FCAEHM CNC(=O)NCCC(=O)N1C[C@@H](CNC(=O)c2ccccc2[O-])[C@H](C)C1 ZINC001490260791 1209304993 /nfs/dbraw/zinc/30/49/93/1209304993.db2.gz SLGVJVBRFIBMIR-CHWSQXEVSA-N -1 3 362.430 0.536 10 0 FCAEHM CO[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)Cc2c(C)nc(C)[n-]c2=O)C[C@H]1C ZINC001490266315 1209306350 /nfs/dbraw/zinc/30/63/50/1209306350.db2.gz FHMOJILFNLFHKA-SCDSUCTJSA-N -1 3 364.446 0.587 10 0 FCAEHM COc1ccc(C(=O)[N-]C(=O)CN2CC[C@@H](N(C)C(=O)N(C)C)C2)cc1 ZINC000852652645 1209557973 /nfs/dbraw/zinc/55/79/73/1209557973.db2.gz AJWGCMKOVCRZNF-CQSZACIVSA-N -1 3 362.430 0.639 10 0 FCAEHM C[C@@H]1C[C@@H](NC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])c2ncnn21 ZINC000855330134 1209665575 /nfs/dbraw/zinc/66/55/75/1209665575.db2.gz DGZIAGWLNKVWRS-BXKDBHETSA-N -1 3 370.344 0.901 10 0 FCAEHM C[C@@H]1C[C@@H](NC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)c2ncnn21 ZINC000855330134 1209665577 /nfs/dbraw/zinc/66/55/77/1209665577.db2.gz DGZIAGWLNKVWRS-BXKDBHETSA-N -1 3 370.344 0.901 10 0 FCAEHM CCN(Cc1cc(=O)n2nc(N)[n-]c2n1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000856731303 1209726862 /nfs/dbraw/zinc/72/68/62/1209726862.db2.gz YVAUAQDPMJHVQX-UHFFFAOYSA-N -1 3 363.422 0.441 10 0 FCAEHM CN(C)C(=O)Cn1cnc([N-]C(=O)c2cnn(-c3cccc(Cl)c3)n2)n1 ZINC000776958893 1209760166 /nfs/dbraw/zinc/76/01/66/1209760166.db2.gz RSPRNQRGLUTEMJ-UHFFFAOYSA-N -1 3 374.792 0.853 10 0 FCAEHM COC(=O)[C@@H]1CC[C@H](C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)O1 ZINC000860048623 1209837807 /nfs/dbraw/zinc/83/78/07/1209837807.db2.gz YFKUASMALWUMII-CABCVRRESA-N -1 3 362.382 0.397 10 0 FCAEHM CCn1nnc(C)c1CNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC000862080119 1209895073 /nfs/dbraw/zinc/89/50/73/1209895073.db2.gz CSECWRNVFOXSJK-UHFFFAOYSA-N -1 3 372.360 0.724 10 0 FCAEHM CCn1nnc(C)c1CNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000862080119 1209895075 /nfs/dbraw/zinc/89/50/75/1209895075.db2.gz CSECWRNVFOXSJK-UHFFFAOYSA-N -1 3 372.360 0.724 10 0 FCAEHM CCON(CC)C(=O)CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000862622168 1209916104 /nfs/dbraw/zinc/91/61/04/1209916104.db2.gz FWKBQLNYKKMDJQ-AWEZNQCLSA-N -1 3 363.414 0.913 10 0 FCAEHM O=C(NC[C@@H](O)[C@H]1CCCO1)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC000862652736 1209920021 /nfs/dbraw/zinc/92/00/21/1209920021.db2.gz BOFQHPMYVNTWGC-ZIAGYGMSSA-N -1 3 363.345 0.144 10 0 FCAEHM O=C(NC[C@@H](O)[C@H]1CCCO1)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000862652736 1209920027 /nfs/dbraw/zinc/92/00/27/1209920027.db2.gz BOFQHPMYVNTWGC-ZIAGYGMSSA-N -1 3 363.345 0.144 10 0 FCAEHM CN(C(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])[C@H]1C[C@@H](C(N)=O)C1 ZINC000863357511 1209940151 /nfs/dbraw/zinc/94/01/51/1209940151.db2.gz WHACRUHPUTXNIF-WVSHTKLVSA-N -1 3 360.345 0.210 10 0 FCAEHM CN(C(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O)[C@H]1C[C@@H](C(N)=O)C1 ZINC000863357511 1209940153 /nfs/dbraw/zinc/94/01/53/1209940153.db2.gz WHACRUHPUTXNIF-WVSHTKLVSA-N -1 3 360.345 0.210 10 0 FCAEHM CC[C@@H](CNC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1)C(=O)[O-] ZINC000927943719 1211593975 /nfs/dbraw/zinc/59/39/75/1211593975.db2.gz VECKGFRXLNOJQT-ZDUSSCGKSA-N -1 3 361.442 0.429 10 0 FCAEHM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N[C@H]3CCN(C)[C@H]3C)cc2)[n-]1 ZINC000928453069 1211603298 /nfs/dbraw/zinc/60/32/98/1211603298.db2.gz IEQAIJUGDGPQQC-LRDDRELGSA-N -1 3 372.425 0.704 10 0 FCAEHM CS(=O)(=O)c1nc2cc(-c3cnc(N4CCC[C@@H](O)C4)nc3)cnc2[n-]1 ZINC000629758465 1212575378 /nfs/dbraw/zinc/57/53/78/1212575378.db2.gz AAUIOUUGKWIWKY-GFCCVEGCSA-N -1 3 374.426 0.780 10 0 FCAEHM CS(=O)(=O)c1nc2ncc(-c3cnc(N4CCC[C@@H](O)C4)nc3)cc2[n-]1 ZINC000629758465 1212575381 /nfs/dbraw/zinc/57/53/81/1212575381.db2.gz AAUIOUUGKWIWKY-GFCCVEGCSA-N -1 3 374.426 0.780 10 0 FCAEHM CCCCNc1cc(N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)nc(N)n1 ZINC001118951692 1221849642 /nfs/dbraw/zinc/84/96/42/1221849642.db2.gz KVIVDZRZUKKCDY-KRWDZBQOSA-N -1 3 364.450 0.637 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CC[C@@H](NC(=O)[C@H]3CCCN(C4CC4)C3=O)C2)n1 ZINC001123915054 1222366191 /nfs/dbraw/zinc/36/61/91/1222366191.db2.gz RYXOYWXCWKDYBW-TZMCWYRMSA-N -1 3 359.430 0.587 10 0 FCAEHM CNC(=O)COc1ccc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)cc1OC ZINC001164321745 1223237382 /nfs/dbraw/zinc/23/73/82/1223237382.db2.gz KFUGZNWUPDHOAV-GFCCVEGCSA-N -1 3 374.397 0.878 10 0 FCAEHM CC1=C(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)[C@H](C)n2nnnc2N1C ZINC000847471371 1245339453 /nfs/dbraw/zinc/33/94/53/1245339453.db2.gz YFOGYIZIWXQMST-JTQLQIEISA-N -1 3 366.389 0.454 10 0 FCAEHM CC1=C(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)[C@H](C)n2nnnc2N1C ZINC000847471371 1245339455 /nfs/dbraw/zinc/33/94/55/1245339455.db2.gz YFOGYIZIWXQMST-JTQLQIEISA-N -1 3 366.389 0.454 10 0 FCAEHM CC(C)(C)OC(=O)N1CC(O)(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000847471184 1245339723 /nfs/dbraw/zinc/33/97/23/1245339723.db2.gz WCZSOFDVCPWDSI-UHFFFAOYSA-N -1 3 374.401 0.465 10 0 FCAEHM CC(C)(C)OC(=O)N1CC(O)(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000847471184 1245339725 /nfs/dbraw/zinc/33/97/25/1245339725.db2.gz WCZSOFDVCPWDSI-UHFFFAOYSA-N -1 3 374.401 0.465 10 0 FCAEHM O=C(OCCN1C(=O)CCC1=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000915426692 1245520994 /nfs/dbraw/zinc/52/09/94/1245520994.db2.gz DZUHTRIMXDEZDW-ZDUSSCGKSA-N -1 3 360.366 0.689 10 0 FCAEHM COC(=O)N1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000918361127 1245572902 /nfs/dbraw/zinc/57/29/02/1245572902.db2.gz JTXANLKGUYIZOT-CQSZACIVSA-N -1 3 361.398 0.907 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CC[C@H](CNC(=O)Cc2c[nH]cn2)C1 ZINC001515181050 1265456559 /nfs/dbraw/zinc/45/65/59/1265456559.db2.gz ZNUXLHRTSQMODA-NWDGAFQWSA-N -1 3 358.402 0.471 10 0 FCAEHM COC[C@](C)(O)CCNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001328078044 1265480522 /nfs/dbraw/zinc/48/05/22/1265480522.db2.gz SAMKZMCBIBPNKA-QGZVFWFLSA-N -1 3 365.361 0.391 10 0 FCAEHM COC[C@](C)(O)CCNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001328078044 1265480524 /nfs/dbraw/zinc/48/05/24/1265480524.db2.gz SAMKZMCBIBPNKA-QGZVFWFLSA-N -1 3 365.361 0.391 10 0 FCAEHM COc1cccc([C@H]2CN(Cc3cc(=O)n4nc(N)[n-]c4n3)CCO2)c1 ZINC001328895087 1265642154 /nfs/dbraw/zinc/64/21/54/1265642154.db2.gz GGHYFSZYLJPJNL-CQSZACIVSA-N -1 3 356.386 0.582 10 0 FCAEHM CS[C@@H](C)C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@]23C[C@H]2COC3)n1 ZINC001519541816 1265729102 /nfs/dbraw/zinc/72/91/02/1265729102.db2.gz XEBAEJSVUHUPJA-PUTJDCORSA-N -1 3 366.443 0.203 10 0 FCAEHM COCCC(=O)N[C@H]1CCN(C(=O)Cc2c(C)nc(C)[n-]c2=O)[C@@H]1C ZINC001520468286 1265919409 /nfs/dbraw/zinc/91/94/09/1265919409.db2.gz BSNLIBQDTMIYFP-RISCZKNCSA-N -1 3 350.419 0.484 10 0 FCAEHM CC(=O)NCC(=O)N1CC[C@H](NC(=O)c2nnc3ccccc3c2[O-])[C@H]1C ZINC001521133876 1266090545 /nfs/dbraw/zinc/09/05/45/1266090545.db2.gz HNSFOVJIUKQLBC-MFKMUULPSA-N -1 3 371.397 0.191 10 0 FCAEHM CCN(CC)CC(=O)N1C[C@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@@]2(C)C1 ZINC001521607196 1266148225 /nfs/dbraw/zinc/14/82/25/1266148225.db2.gz COBUEXHIICCRPE-SCLBCKFNSA-N -1 3 363.462 0.686 10 0 FCAEHM CCO[C@@H](C)C(=O)NCC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001521970507 1266265767 /nfs/dbraw/zinc/26/57/67/1266265767.db2.gz DRAOTJATGLLWHU-FRRDWIJNSA-N -1 3 350.419 0.822 10 0 FCAEHM CC1(C)[C@H]2[C@H](CCCN2C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)[C@@H]1O ZINC001251451059 1259748286 /nfs/dbraw/zinc/74/82/86/1259748286.db2.gz NZAWWDJJCBDAOR-KOZAUXTDSA-N -1 3 361.446 0.952 10 0 FCAEHM CC(=O)NC[C@H]1CCCN(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)C1 ZINC001251450778 1259749233 /nfs/dbraw/zinc/74/92/33/1259749233.db2.gz GMIAPAYUAJPXJP-ZIAGYGMSSA-N -1 3 362.434 0.319 10 0 FCAEHM COC[C@]1(C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)CCCCN1 ZINC001331846984 1266294095 /nfs/dbraw/zinc/29/40/95/1266294095.db2.gz ZLLBIEFXZQNANL-GLJUWKHASA-N -1 3 364.446 0.596 10 0 FCAEHM C[C@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)C1N=NC(=O)N1C ZINC001255621067 1259921251 /nfs/dbraw/zinc/92/12/51/1259921251.db2.gz FXDRYXBCRJDNBP-NSHDSACASA-N -1 3 374.401 0.455 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CCNC(=O)Cc1c[nH]cn1 ZINC001522035001 1266315132 /nfs/dbraw/zinc/31/51/32/1266315132.db2.gz NUWGUXQHPYALQU-VXGBXAGGSA-N -1 3 358.402 0.362 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@H](CO)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001337779361 1260482878 /nfs/dbraw/zinc/48/28/78/1260482878.db2.gz GRRUOEYFYKIWFV-XDQVBPFNSA-N -1 3 362.430 0.524 10 0 FCAEHM Cn1[n-]c(CNC[C@@H](NC(=O)[C@]23CCC[C@H]2OCC3)C(C)(C)C)nc1=O ZINC001278978328 1260766210 /nfs/dbraw/zinc/76/62/10/1260766210.db2.gz IRQFWZADSOULIN-VFVRVIDISA-N -1 3 365.478 0.688 10 0 FCAEHM CN(C[C@@H](O)CNC(=O)c1cnc[n-]c1=O)C(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001281259339 1261099804 /nfs/dbraw/zinc/09/98/04/1261099804.db2.gz NDNZDZKWFLGLBS-RWMBFGLXSA-N -1 3 364.446 0.804 10 0 FCAEHM CCC[C@@H](C)C(=O)N[C@@H]1CN(C(=O)Cc2c(C)nc(C)[n-]c2=O)C[C@@H]1O ZINC001281874593 1261248675 /nfs/dbraw/zinc/24/86/75/1261248675.db2.gz RDDVMMXDZQEWMB-KMUNFCNLSA-N -1 3 364.446 0.466 10 0 FCAEHM CC(C)(C)CC(C)(C)C(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1 ZINC001281900735 1261270190 /nfs/dbraw/zinc/27/01/90/1261270190.db2.gz PPMFNPNXJFYJEE-OLZOCXBDSA-N -1 3 364.446 0.946 10 0 FCAEHM CC[C@@H](F)C(=O)N[C@@H]1CN(C(=O)c2c[n-]c3ccccc3c2=O)C[C@@H]1O ZINC001281920448 1261287008 /nfs/dbraw/zinc/28/70/08/1261287008.db2.gz IXJDGGIIXPIFFF-YUELXQCFSA-N -1 3 361.373 0.578 10 0 FCAEHM O=C(CCOCC(F)F)N1C[C@H]2CCN(C(=O)c3cnc[n-]c3=O)C[C@H]21 ZINC001281963046 1261311325 /nfs/dbraw/zinc/31/13/25/1261311325.db2.gz IIDSLFDMKFKJLW-ZYHUDNBSSA-N -1 3 370.356 0.527 10 0 FCAEHM COCC(C)(C)CC(=O)N1C[C@H]2CCN(C(=O)c3cnc[n-]c3=O)C[C@H]21 ZINC001281975208 1261317130 /nfs/dbraw/zinc/31/71/30/1261317130.db2.gz GYWJPYGQXHBVBI-TZMCWYRMSA-N -1 3 362.430 0.918 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)CCCn1ccccc1=O ZINC001282362654 1261428692 /nfs/dbraw/zinc/42/86/92/1261428692.db2.gz UEVSGGQLYOWVEZ-OLZOCXBDSA-N -1 3 358.402 0.166 10 0 FCAEHM Cc1cc(NCCNC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)n2ncnc2n1 ZINC001472498422 1261472143 /nfs/dbraw/zinc/47/21/43/1261472143.db2.gz KZRUUORJVDDGKE-UHFFFAOYSA-N -1 3 365.353 0.158 10 0 FCAEHM COc1cccc(S(=O)(=O)CCN2CCC(Cc3nnn[n-]3)CC2)c1 ZINC001473764647 1261495148 /nfs/dbraw/zinc/49/51/48/1261495148.db2.gz OMZVUMUMSATAOB-UHFFFAOYSA-N -1 3 365.459 0.937 10 0 FCAEHM COc1cccc(S(=O)(=O)CCN2CCC(Cc3nn[n-]n3)CC2)c1 ZINC001473764647 1261495152 /nfs/dbraw/zinc/49/51/52/1261495152.db2.gz OMZVUMUMSATAOB-UHFFFAOYSA-N -1 3 365.459 0.937 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1CCNC(=O)[C@@H]1COC(=O)N1 ZINC001282536203 1261513421 /nfs/dbraw/zinc/51/34/21/1261513421.db2.gz XOXRDMSXUHXPEX-BZPMIXESSA-N -1 3 361.398 0.715 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)c2cnc[n-]c2=O)CCN1C(=O)CCCn1ccnc1 ZINC001345440218 1261707456 /nfs/dbraw/zinc/70/74/56/1261707456.db2.gz IRUJFQBEFQOVEW-OCCSQVGLSA-N -1 3 358.402 0.578 10 0 FCAEHM CC(C)[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)NC(=O)c1ccccc1[O-] ZINC001285350070 1261833799 /nfs/dbraw/zinc/83/37/99/1261833799.db2.gz RYFQBZRWVBRMLN-VHDGCEQUSA-N -1 3 363.414 0.296 10 0 FCAEHM C[C@H](CNC(=O)[C@@H]1OCCO[C@@H]1c1ccccc1)NC(=O)c1cn[n-]n1 ZINC001285668103 1261863660 /nfs/dbraw/zinc/86/36/60/1261863660.db2.gz LARQSHGZFQHDBZ-KCPJHIHWSA-N -1 3 359.386 0.196 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001285768202 1261876843 /nfs/dbraw/zinc/87/68/43/1261876843.db2.gz WUCBTRVIFMMVBR-LEWSCRJBSA-N -1 3 355.398 0.924 10 0 FCAEHM CC/C(C)=C\C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC001289142133 1262125379 /nfs/dbraw/zinc/12/53/79/1262125379.db2.gz JJZLZBVBMBDLRU-XCTAYMRMSA-N -1 3 371.393 0.228 10 0 FCAEHM CC[C@@H](C)OCC(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1OC ZINC001289466337 1262212448 /nfs/dbraw/zinc/21/24/48/1262212448.db2.gz PGCNJWNQHXNFHS-RAIGVLPGSA-N -1 3 366.418 0.261 10 0 FCAEHM Cc1nc(C)c(CC(=O)N2C[C@@H](NC(=O)[C@H](F)C(C)C)[C@@H](O)C2)c(=O)[n-]1 ZINC001289709683 1262318852 /nfs/dbraw/zinc/31/88/52/1262318852.db2.gz KLXMSRDAXBWYBA-VNHYZAJKSA-N -1 3 368.409 0.024 10 0 FCAEHM COc1cccc([C@@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)N2CCCC2)c1 ZINC001290014503 1262373487 /nfs/dbraw/zinc/37/34/87/1262373487.db2.gz SOUGRNATJYFQSD-CQSZACIVSA-N -1 3 361.402 0.651 10 0 FCAEHM CCOCC(=O)N[C@@H]1CC[C@H](CNC(=O)Cc2c(C)nc(C)[n-]c2=O)C1 ZINC001290138920 1262388008 /nfs/dbraw/zinc/38/80/08/1262388008.db2.gz NESRIBINBLRBQF-UONOGXRCSA-N -1 3 364.446 0.779 10 0 FCAEHM Cc1cc(COCC(=O)NC[C@H]2CC[C@@H](NC(=O)c3cn[n-]n3)C2)no1 ZINC001290161035 1262393124 /nfs/dbraw/zinc/39/31/24/1262393124.db2.gz CQKPOTNPUBZIBX-NWDGAFQWSA-N -1 3 362.390 0.333 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2cccc3n[n-]nc32)CCN1C(=O)CC(=O)NC ZINC001290426981 1262441630 /nfs/dbraw/zinc/44/16/30/1262441630.db2.gz IFICCOYMJQPTFR-WCQYABFASA-N -1 3 358.402 0.203 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2cccc3n[n-]nc32)CCN1C(=O)CNC(C)=O ZINC001290427124 1262441792 /nfs/dbraw/zinc/44/17/92/1262441792.db2.gz KFZBZBHVXORNGW-GXTWGEPZSA-N -1 3 358.402 0.203 10 0 FCAEHM COCC[C@@H](C)C(=O)N1CC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@@H]2C1 ZINC001290519758 1262461514 /nfs/dbraw/zinc/46/15/14/1262461514.db2.gz NQDBFAHZEOCISO-MCIONIFRSA-N -1 3 362.430 0.775 10 0 FCAEHM C[C@@H](OCc1ccncc1)C(=O)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@H]1C ZINC001290668816 1262490067 /nfs/dbraw/zinc/49/00/67/1262490067.db2.gz BIAXSTVEYXAZOV-BZPMIXESSA-N -1 3 358.402 0.524 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cc[nH]c(=O)c2)C[C@H]1CCNC(=O)c1cnc[n-]c1=O ZINC001291633685 1262570622 /nfs/dbraw/zinc/57/06/22/1262570622.db2.gz FHAPSZYYIZQRFB-DGCLKSJQSA-N -1 3 371.397 0.811 10 0 FCAEHM Cc1noc(CCCC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cn[n-]n2)C3)n1 ZINC001291924669 1262613145 /nfs/dbraw/zinc/61/31/45/1262613145.db2.gz NJXSZSLWTQPFFR-MDZLAQPJSA-N -1 3 359.390 0.381 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(C(=O)[C@H]3CCCn4ncnc43)CC2)n[n-]1 ZINC001297216913 1262854406 /nfs/dbraw/zinc/85/44/06/1262854406.db2.gz BPCBDXGFAAXXFU-LBPRGKRZSA-N -1 3 373.417 0.857 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(C(=O)[C@H]3CCCn4ncnc43)CC2)[n-]1 ZINC001297216913 1262854408 /nfs/dbraw/zinc/85/44/08/1262854408.db2.gz BPCBDXGFAAXXFU-LBPRGKRZSA-N -1 3 373.417 0.857 10 0 FCAEHM CC1(C)NC(=O)N(CCCC(=O)Nc2cccc(Cc3nnn[n-]3)c2)C1=O ZINC001298987949 1262950479 /nfs/dbraw/zinc/95/04/79/1262950479.db2.gz XSBZIZQZFKMZAK-UHFFFAOYSA-N -1 3 371.401 0.840 10 0 FCAEHM CC1(C)NC(=O)N(CCCC(=O)Nc2cccc(Cc3nn[n-]n3)c2)C1=O ZINC001298987949 1262950481 /nfs/dbraw/zinc/95/04/81/1262950481.db2.gz XSBZIZQZFKMZAK-UHFFFAOYSA-N -1 3 371.401 0.840 10 0 FCAEHM O=C(CCn1cc[n-]c(=O)c1=O)N1CCc2nc[nH]c2[C@H]1c1cccnc1 ZINC001299913843 1262980228 /nfs/dbraw/zinc/98/02/28/1262980228.db2.gz COMXTSMMZGLQCL-MRXNPFEDSA-N -1 3 366.381 0.219 10 0 FCAEHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)[C@H]1C[C@@H](O)CN1c1ccncn1 ZINC001301760466 1263019927 /nfs/dbraw/zinc/01/99/27/1263019927.db2.gz LGCXDBNIVOEJTK-ZIAGYGMSSA-N -1 3 370.413 0.496 10 0 FCAEHM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N[C@H]1CCN(c2ccccn2)C1 ZINC001478243262 1263123115 /nfs/dbraw/zinc/12/31/15/1263123115.db2.gz NAQWRSBQFNBAAK-LBPRGKRZSA-N -1 3 370.413 0.728 10 0 FCAEHM O=C(NCCOC1CCOCC1)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001479415037 1263191858 /nfs/dbraw/zinc/19/18/58/1263191858.db2.gz ZDQZJLJUNATJBV-LBPRGKRZSA-N -1 3 351.407 0.256 10 0 FCAEHM CCN(C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)[C@H](C)CS(C)(=O)=O ZINC001479507205 1263234087 /nfs/dbraw/zinc/23/40/87/1263234087.db2.gz IBOSPJBGIATUPB-VXGBXAGGSA-N -1 3 371.463 0.226 10 0 FCAEHM COC[C@@H](C)CC(=O)N1CC[C@@H](C)C[C@H]1CNCc1nc(=O)n(C)[n-]1 ZINC001479580505 1263262913 /nfs/dbraw/zinc/26/29/13/1263262913.db2.gz RIOMREIKMFVBSX-RDBSUJKOSA-N -1 3 353.467 0.498 10 0 FCAEHM Cc1nonc1C(=O)N[C@H]1CCN(CCC[N-]C(=O)C(F)(F)F)[C@@H]1C ZINC001479731392 1263408787 /nfs/dbraw/zinc/40/87/87/1263408787.db2.gz RUINQADZUNYSDK-ZJUUUORDSA-N -1 3 363.340 0.639 10 0 FCAEHM CC[C@H](C)NC(=O)CN1CC[C@H](NC(=O)c2c(C)nc[n-]c2=O)[C@H]1CC ZINC001316737190 1263443669 /nfs/dbraw/zinc/44/36/69/1263443669.db2.gz VKOLGAYBAHCIRK-FPMFFAJLSA-N -1 3 363.462 0.988 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)NC1(CNCc2nc(=O)n(C)[n-]2)CCCCC1 ZINC001485453301 1263508525 /nfs/dbraw/zinc/50/85/25/1263508525.db2.gz RGBUCUHYTZCRQI-KGLIPLIRSA-N -1 3 365.478 0.832 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)N1CC(CCO)(NC(=O)c2cccc3n[n-]nc32)C1 ZINC001487035170 1263574844 /nfs/dbraw/zinc/57/48/44/1263574844.db2.gz ZUFHMQJQAYWJJJ-DGCLKSJQSA-N -1 3 357.414 0.697 10 0 FCAEHM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)NCc1nc(=O)n(C)[n-]1 ZINC001491580459 1263610435 /nfs/dbraw/zinc/61/04/35/1263610435.db2.gz YYQZSLZMKYNVJN-GMTAPVOTSA-N -1 3 365.384 0.785 10 0 FCAEHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)NCc1nc(=O)n(C)[n-]1 ZINC001491580460 1263611237 /nfs/dbraw/zinc/61/12/37/1263611237.db2.gz YYQZSLZMKYNVJN-HBNTYKKESA-N -1 3 365.384 0.785 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N(C)CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001496344301 1263873886 /nfs/dbraw/zinc/87/38/86/1263873886.db2.gz GVURVMPZGRLLNJ-NMNMXBMNSA-N -1 3 374.441 0.421 10 0 FCAEHM CC(C)[C@H](CNC(=O)[C@]12C[C@H]1COC2)NCc1cc(=O)n2[n-]ccc2n1 ZINC001496561694 1263880350 /nfs/dbraw/zinc/88/03/50/1263880350.db2.gz MBCIKTODSXGBHE-YEWDVWPNSA-N -1 3 359.430 0.290 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)NC1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001498283384 1263969157 /nfs/dbraw/zinc/96/91/57/1263969157.db2.gz ZNAFDGJMUVQHOF-ZIAGYGMSSA-N -1 3 370.413 0.277 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1nnc2ccccc2c1[O-] ZINC001501611549 1264140502 /nfs/dbraw/zinc/14/05/02/1264140502.db2.gz DWTXWEMPIGGIQS-NQBHXWOUSA-N -1 3 358.398 0.588 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@H](CO)CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001510951191 1264519604 /nfs/dbraw/zinc/51/96/04/1264519604.db2.gz PDDUGVOIXXAYLC-AEGPPILISA-N -1 3 362.430 0.063 10 0 FCAEHM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1cccc2n[n-]nc21 ZINC001510952255 1264520070 /nfs/dbraw/zinc/52/00/70/1264520070.db2.gz LIEYWVQZUJXDHU-RAIGVLPGSA-N -1 3 359.430 0.847 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@H]1C ZINC001513248125 1264992889 /nfs/dbraw/zinc/99/28/89/1264992889.db2.gz XREWCOWGDWHZAX-MGPXDEMNSA-N -1 3 374.441 0.423 10 0 FCAEHM Cc1nc(C)c(CC(=O)NCc2cccc(N3CCOCC3)n2)c(=O)[n-]1 ZINC001325790919 1264996288 /nfs/dbraw/zinc/99/62/88/1264996288.db2.gz OYRCQPBLERJTFN-UHFFFAOYSA-N -1 3 357.414 0.890 10 0 FCAEHM CO[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1NC(=O)C1(CCF)CC1 ZINC001513394160 1265093857 /nfs/dbraw/zinc/09/38/57/1265093857.db2.gz FZVQLWYIQQFTQN-VXGBXAGGSA-N -1 3 366.393 0.586 10 0 FCAEHM C=C/C(C)=C/CC(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1OC ZINC001513415215 1265109814 /nfs/dbraw/zinc/10/98/14/1265109814.db2.gz OCLHZBOOIBIJNP-GFUGXAQUSA-N -1 3 360.414 0.969 10 0 FCAEHM CCOCC(=O)NC[C@H]1CC[C@@H](NC(=O)CCc2c(C)nc[n-]c2=O)C1 ZINC001514975975 1265388766 /nfs/dbraw/zinc/38/87/66/1265388766.db2.gz QYIFRMSHVYOWDA-UONOGXRCSA-N -1 3 364.446 0.861 10 0 FCAEHM COCCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O ZINC001522290429 1266471261 /nfs/dbraw/zinc/47/12/61/1266471261.db2.gz MCSAAKJUCNNWFE-BNOWGMLFSA-N -1 3 364.402 0.097 10 0 FCAEHM CO[C@H](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)c2cn[n-]n2)CC1 ZINC001333492813 1266613126 /nfs/dbraw/zinc/61/31/26/1266613126.db2.gz FLCOEHCNYQPANO-KFNAQCHYSA-N -1 3 365.434 0.356 10 0 FCAEHM CN(CCCNC(=O)[C@]12C[C@H]1COC2)C(=O)c1nnc2ccccc2c1[O-] ZINC001523434826 1266628853 /nfs/dbraw/zinc/62/88/53/1266628853.db2.gz SWWIDAXDJXLLPY-BUXKBTBVSA-N -1 3 370.409 0.950 10 0 FCAEHM O=C([O-])[C@]1(N2CCN(Cc3ccnn3-c3ccncc3)CC2)CCOC1 ZINC001334006244 1266775166 /nfs/dbraw/zinc/77/51/66/1266775166.db2.gz UXERVEOKQKYXLV-SFHVURJKSA-N -1 3 357.414 0.629 10 0 FCAEHM C[C@H](CCNC(=O)[C@@H]1C[C@H]1c1cncn1C)NC(=O)c1cnc[n-]c1=O ZINC001527791010 1266925015 /nfs/dbraw/zinc/92/50/15/1266925015.db2.gz SZGRKRUBWQFWHY-IJLUTSLNSA-N -1 3 358.402 0.344 10 0 FCAEHM CC[C@H](C(=O)N1CCC(Cc2nnn[n-]2)CC1)N1CCO[C@@H](CC)C1 ZINC001528797804 1266997280 /nfs/dbraw/zinc/99/72/80/1266997280.db2.gz CRJHSJTXJDGLSJ-LSDHHAIUSA-N -1 3 350.467 0.870 10 0 FCAEHM CC[C@H](C(=O)N1CCC(Cc2nn[n-]n2)CC1)N1CCO[C@@H](CC)C1 ZINC001528797804 1266997286 /nfs/dbraw/zinc/99/72/86/1266997286.db2.gz CRJHSJTXJDGLSJ-LSDHHAIUSA-N -1 3 350.467 0.870 10 0 FCAEHM CCCN(CCNC(=O)c1cnc[n-]c1=O)C(=O)[C@@H]1CCO[C@H]1CC ZINC001529599458 1267067491 /nfs/dbraw/zinc/06/74/91/1267067491.db2.gz WVYGZEQTZFTBMX-OCCSQVGLSA-N -1 3 350.419 0.966 10 0 FCAEHM O=C(Cn1ncnn1)Nc1[n-]ncc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001533727663 1267234808 /nfs/dbraw/zinc/23/48/08/1267234808.db2.gz CZDBUISUOYLUGF-UHFFFAOYSA-N -1 3 367.778 0.521 10 0 FCAEHM O=C(Cn1ncnn1)Nc1n[n-]cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001533727663 1267234818 /nfs/dbraw/zinc/23/48/18/1267234818.db2.gz CZDBUISUOYLUGF-UHFFFAOYSA-N -1 3 367.778 0.521 10 0 FCAEHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccnn1C)NC(=O)c1cccc2n[n-]nc21 ZINC001534153114 1267250767 /nfs/dbraw/zinc/25/07/67/1267250767.db2.gz JRQXSIRYYWFXAJ-CYZMBNFOSA-N -1 3 367.413 0.730 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCCN(S(C)(=O)=O)CC2)c1 ZINC001542551152 1267499187 /nfs/dbraw/zinc/49/91/87/1267499187.db2.gz QSKWDCUMQFOYTL-UHFFFAOYSA-N -1 3 367.427 0.624 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)CNc1ccc(S(C)(=O)=O)cc1 ZINC001542942365 1267514171 /nfs/dbraw/zinc/51/41/71/1267514171.db2.gz ZAMSVRWYXDOCPS-CYBMUJFWSA-N -1 3 352.416 0.130 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC001542942022 1267514373 /nfs/dbraw/zinc/51/43/73/1267514373.db2.gz NUGIYAMAABOPQA-QMMMGPOBSA-N -1 3 350.762 0.913 10 0 FCAEHM COC(=O)Cc1n[n-]c(NC(=O)c2cnn3c2N[C@H](C)C[C@@H]3C(F)F)n1 ZINC001544413322 1267579510 /nfs/dbraw/zinc/57/95/10/1267579510.db2.gz BNPLKELIQYKPLX-HTRCEHHLSA-N -1 3 369.332 0.979 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)c2cnn3c2N[C@H](C)C[C@@H]3C(F)F)n[n-]1 ZINC001544413322 1267579515 /nfs/dbraw/zinc/57/95/15/1267579515.db2.gz BNPLKELIQYKPLX-HTRCEHHLSA-N -1 3 369.332 0.979 10 0 FCAEHM COc1nnc(NC(=O)[C@@H]2CCCN(CC(=O)OC(C)(C)C)C2=O)[n-]1 ZINC001545819034 1267623586 /nfs/dbraw/zinc/62/35/86/1267623586.db2.gz XMNGADRJLDMFHT-VIFPVBQESA-N -1 3 353.379 0.332 10 0 FCAEHM COc1nc(NC(=O)[C@@H]2CCCN(CC(=O)OC(C)(C)C)C2=O)n[n-]1 ZINC001545819034 1267623590 /nfs/dbraw/zinc/62/35/90/1267623590.db2.gz XMNGADRJLDMFHT-VIFPVBQESA-N -1 3 353.379 0.332 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@@H]2CCCN(CC(=O)OC(C)(C)C)C2=O)n1 ZINC001545819034 1267623595 /nfs/dbraw/zinc/62/35/95/1267623595.db2.gz XMNGADRJLDMFHT-VIFPVBQESA-N -1 3 353.379 0.332 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)N(C)C[C@@H](O)CNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001338616148 1268008699 /nfs/dbraw/zinc/00/86/99/1268008699.db2.gz SKIDTFKMOIIGQS-KGYLQXTDSA-N -1 3 362.430 0.655 10 0 FCAEHM CN1CCN(Cc2ccc(CNC(=O)[C@@H]3CC[C@H](C(=O)[O-])O3)cc2)CC1 ZINC001339492495 1268251081 /nfs/dbraw/zinc/25/10/81/1268251081.db2.gz IZXFTIMTYOUXIP-DLBZAZTESA-N -1 3 361.442 0.682 10 0 FCAEHM CS(=O)(=O)CC(=O)Nc1ccc(I)cc1[O-] ZINC001556169799 1268823955 /nfs/dbraw/zinc/82/39/55/1268823955.db2.gz KTBULXXUCOIOTJ-UHFFFAOYSA-N -1 3 355.153 0.980 10 0 FCAEHM O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001557321769 1268943747 /nfs/dbraw/zinc/94/37/47/1268943747.db2.gz SFHOXCCKWJRQTQ-UHFFFAOYSA-N -1 3 373.394 0.593 10 0 FCAEHM COc1cc(OC)cc(C(=O)NCC(=O)NCCCc2c[n-][nH]c2=O)c1 ZINC001557700967 1268968795 /nfs/dbraw/zinc/96/87/95/1268968795.db2.gz FDJCXOXNFXDVCV-NSHDSACASA-N -1 3 362.386 0.062 10 0 FCAEHM CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NCCCc1c[n-][nH]c1=O ZINC001557701087 1268968888 /nfs/dbraw/zinc/96/88/88/1268968888.db2.gz GNJRMXRMKMNYNO-MCIONIFRSA-N -1 3 351.451 0.835 10 0 FCAEHM CCOc1nc(NC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)n[n-]1 ZINC001558012074 1269003979 /nfs/dbraw/zinc/00/39/79/1269003979.db2.gz YVYNQBOIKRZABI-UHFFFAOYSA-N -1 3 373.417 0.666 10 0 FCAEHM CCOc1n[n-]c(NC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)n1 ZINC001558012074 1269003987 /nfs/dbraw/zinc/00/39/87/1269003987.db2.gz YVYNQBOIKRZABI-UHFFFAOYSA-N -1 3 373.417 0.666 10 0 FCAEHM CCC(CC)[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1O ZINC001341568266 1269085669 /nfs/dbraw/zinc/08/56/69/1269085669.db2.gz VFCZBTFPSLJUTB-ZLKJLUDKSA-N -1 3 364.446 0.864 10 0 FCAEHM COC(=O)c1cc(NC(=O)[C@H](C)N2C(=O)CCC2=O)c([O-])c(OC)c1 ZINC001558677082 1269129916 /nfs/dbraw/zinc/12/99/16/1269129916.db2.gz BTFPHKYCJOKQPV-QMMMGPOBSA-N -1 3 350.327 0.663 10 0 FCAEHM CCOC(=O)c1cccc2[n-]c(NC(=O)C3=NN(CCO)C(=O)CC3)nc21 ZINC001558740357 1269136083 /nfs/dbraw/zinc/13/60/83/1269136083.db2.gz YWWJWNQSGUOBKE-UHFFFAOYSA-N -1 3 373.369 0.649 10 0 FCAEHM CCc1nc([C@@H]2C[C@@H](O)CN2C(=O)c2ccc3n[n-]c(=S)n3c2)n[nH]1 ZINC001558820100 1269144171 /nfs/dbraw/zinc/14/41/71/1269144171.db2.gz SWQYYLAAMDOVQW-ZJUUUORDSA-N -1 3 359.415 0.647 10 0 FCAEHM Cn1cc([C@@H](NCc2nc3c(c(=O)[n-]2)COCC3)C2(CO)CCC2)cn1 ZINC001559869284 1269178429 /nfs/dbraw/zinc/17/84/29/1269178429.db2.gz OPSHJKOVHOYCBC-MRXNPFEDSA-N -1 3 359.430 0.982 10 0 FCAEHM CC(C)N(C)C(=O)C1CCN(C(=O)CN2CC[C@@H](c3nnn[n-]3)C2)CC1 ZINC001560101040 1269186518 /nfs/dbraw/zinc/18/65/18/1269186518.db2.gz ALBHGKICVWVVNK-CQSZACIVSA-N -1 3 363.466 0.094 10 0 FCAEHM CC(C)N(C)C(=O)C1CCN(C(=O)CN2CC[C@@H](c3nn[n-]n3)C2)CC1 ZINC001560101040 1269186524 /nfs/dbraw/zinc/18/65/24/1269186524.db2.gz ALBHGKICVWVVNK-CQSZACIVSA-N -1 3 363.466 0.094 10 0 FCAEHM O=C(NC[C@H]1CC(=O)N(C2CC2)C1)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001564428094 1269420842 /nfs/dbraw/zinc/42/08/42/1269420842.db2.gz RQTAUFOAEQURPN-NEPJUHHUSA-N -1 3 360.418 0.071 10 0 FCAEHM Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)c1[O-] ZINC001342479585 1269485990 /nfs/dbraw/zinc/48/59/90/1269485990.db2.gz OTGCNOJHEIBZIC-MPKXVKKWSA-N -1 3 351.451 0.587 10 0 FCAEHM O=C(CCn1cc(Cl)cn1)NC[C@H]1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001565919419 1269518667 /nfs/dbraw/zinc/51/86/67/1269518667.db2.gz GZEMEABSYGMECZ-CMPLNLGQSA-N -1 3 367.841 0.825 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](CC(N)=O)C2CCOCC2)c1 ZINC001566199268 1269621012 /nfs/dbraw/zinc/62/10/12/1269621012.db2.gz FZKIQQGHUPVIGF-AWEZNQCLSA-N -1 3 361.398 0.917 10 0 FCAEHM O=C(CCN1CCN(c2cccc(Cl)c2)CC1)NCc1nc(=O)o[n-]1 ZINC001566718489 1269660205 /nfs/dbraw/zinc/66/02/05/1269660205.db2.gz QSCZECLFYPRFHO-UHFFFAOYSA-N -1 3 365.821 0.845 10 0 FCAEHM CN1CC(=O)N(CCCC(=O)Nc2cccc(Cc3nnn[n-]3)c2)C1=O ZINC001570107788 1269841232 /nfs/dbraw/zinc/84/12/32/1269841232.db2.gz WHWVZZCQCJMKIP-UHFFFAOYSA-N -1 3 357.374 0.403 10 0 FCAEHM CN1CC(=O)N(CCCC(=O)Nc2cccc(Cc3nn[n-]n3)c2)C1=O ZINC001570107788 1269841243 /nfs/dbraw/zinc/84/12/43/1269841243.db2.gz WHWVZZCQCJMKIP-UHFFFAOYSA-N -1 3 357.374 0.403 10 0 FCAEHM CC1CCN(C(=O)C(=O)NC[C@H]2CC[C@@H](NC(=O)c3cn[n-]n3)C2)CC1 ZINC001344275862 1270126605 /nfs/dbraw/zinc/12/66/05/1270126605.db2.gz ARIMMUMJTOUSRP-QWHCGFSZSA-N -1 3 362.434 0.078 10 0 FCAEHM CC(C)(C)CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001572829504 1270210196 /nfs/dbraw/zinc/21/01/96/1270210196.db2.gz SVLFMCOUXYHJEZ-CHWSQXEVSA-N -1 3 350.419 0.700 10 0 FCAEHM O=C(CCC1CC1)NCc1cc(=O)[n-]c(CNC(=O)[C@]23C[C@H]2COC3)n1 ZINC001344649249 1270217196 /nfs/dbraw/zinc/21/71/96/1270217196.db2.gz DFWHKKJVPPEWFI-SGTLLEGYSA-N -1 3 360.414 0.641 10 0 FCAEHM Cc1nc(C)c(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H](F)C(C)C)C2)c(=O)[n-]1 ZINC001572845052 1270246363 /nfs/dbraw/zinc/24/63/63/1270246363.db2.gz KLXMSRDAXBWYBA-UMVBOHGHSA-N -1 3 368.409 0.024 10 0 FCAEHM C[C@@H]1CN(C(=O)CCOCC(F)F)C[C@H]1NC(=O)c1cnc[n-]c1=O ZINC001572902590 1270326243 /nfs/dbraw/zinc/32/62/43/1270326243.db2.gz LEHVNCDKEGZZJT-MWLCHTKSSA-N -1 3 358.345 0.431 10 0 FCAEHM COCC[C@H](C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001572918844 1270348059 /nfs/dbraw/zinc/34/80/59/1270348059.db2.gz OZWBTZQNNPASEH-DMDPSCGWSA-N -1 3 350.419 0.740 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@@H]1CN(C(=O)/C=C/C2CC2)C[C@@H]1O ZINC001573012427 1270500927 /nfs/dbraw/zinc/50/09/27/1270500927.db2.gz WTUSISRCXZYBDV-PWZNUNQRSA-N -1 3 360.414 0.077 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CC[C@H](CNC(=O)[C@]2(C)CCOC2)C1 ZINC001573194418 1270654965 /nfs/dbraw/zinc/65/49/65/1270654965.db2.gz GRRAEHAMBBSCNO-VEVIJQCQSA-N -1 3 362.430 0.932 10 0 FCAEHM CCO[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CNC(=O)CCSC ZINC001573215689 1270683030 /nfs/dbraw/zinc/68/30/30/1270683030.db2.gz KGLFOPGCBWDVDB-DGCLKSJQSA-N -1 3 368.459 0.529 10 0 FCAEHM C[C@@H]1OCCO[C@@H]1C(=O)NCc1cc(=O)[n-]c(CNC(=O)CC2CC2)n1 ZINC001573247573 1270709194 /nfs/dbraw/zinc/70/91/94/1270709194.db2.gz IUCMDQMGEJJRNP-QFYYESIMSA-N -1 3 364.402 0.019 10 0 FCAEHM COC[C@@H](C)C(=O)N1CC[C@H](NC(=O)Cc2c(C)nc(C)[n-]c2=O)[C@H]1C ZINC001573498022 1270795822 /nfs/dbraw/zinc/79/58/22/1270795822.db2.gz AKPKCWAZUJTWNF-HCKVZZMMSA-N -1 3 364.446 0.730 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1CC[C@H](NC(=O)CCc2cn[nH]c2)[C@H]1C ZINC001573506626 1270797896 /nfs/dbraw/zinc/79/78/96/1270797896.db2.gz YPXHEIXWCYUDFO-YPMHNXCESA-N -1 3 358.402 0.566 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)CCOC[C@H]1CCCO1 ZINC001573534907 1270820110 /nfs/dbraw/zinc/82/01/10/1270820110.db2.gz KWAUIMSEFNJBES-UPJWGTAASA-N -1 3 351.407 0.110 10 0 FCAEHM CCOCCC(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2cnc[n-]c2=O)C1 ZINC001574003155 1270987145 /nfs/dbraw/zinc/98/71/45/1270987145.db2.gz UOPJMKKISHIETL-CHWSQXEVSA-N -1 3 350.419 0.823 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)COCC1CC1 ZINC001574561896 1271358072 /nfs/dbraw/zinc/35/80/72/1271358072.db2.gz GZBXEILNJWPIHK-MCIONIFRSA-N -1 3 360.414 0.779 10 0 FCAEHM Cn1[n-]c(CN2CCC[C@@H]2CCCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)nc1=O ZINC001713438614 1287279398 /nfs/dbraw/zinc/27/93/98/1287279398.db2.gz GJJZABASGFFSRB-YJNKXOJESA-N -1 3 363.462 0.537 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)N[C@H](C)CNC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC001579588866 1277620594 /nfs/dbraw/zinc/62/05/94/1277620594.db2.gz MWILYPHDQQJXKZ-ZXIHIIQKSA-N -1 3 364.446 0.778 10 0 FCAEHM C[C@H](CNCc1cc(=O)n2[n-]ccc2n1)N(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001714771205 1287334781 /nfs/dbraw/zinc/33/47/81/1287334781.db2.gz DATNBVUMMCGHGX-NGFQHRJXSA-N -1 3 359.430 0.527 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cccc(N2CCNC2=O)c1 ZINC001603292628 1287348068 /nfs/dbraw/zinc/34/80/68/1287348068.db2.gz RYJJQPBXHWVYGP-ZDUSSCGKSA-N -1 3 368.397 0.721 10 0 FCAEHM Cn1[n-]c(CNC2(CNC(=O)[C@@H]3CCO[C@H]3C3CC3)CCCC2)nc1=O ZINC001715302391 1287348873 /nfs/dbraw/zinc/34/88/73/1287348873.db2.gz HJCAALOHWFATIN-HIFRSBDPSA-N -1 3 363.462 0.442 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)N1CCC(N(CCOC)Cc2nc(=O)n(C)[n-]2)CC1 ZINC001716718057 1287387155 /nfs/dbraw/zinc/38/71/55/1287387155.db2.gz ZUKSSTLHSUMBCH-UKRRQHHQSA-N -1 3 365.478 0.594 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)NC1(CNCc2nc(=O)n(C)[n-]2)CCCCC1 ZINC001717523768 1287428260 /nfs/dbraw/zinc/42/82/60/1287428260.db2.gz DLTOMQGCELTESM-HIFRSBDPSA-N -1 3 365.478 0.832 10 0 FCAEHM C[C@@H](CNC(=O)c1cnc[n-]c1=O)N(C)C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001718172594 1287468672 /nfs/dbraw/zinc/46/86/72/1287468672.db2.gz ITPVIBIOEHSMGU-FPMFFAJLSA-N -1 3 362.430 0.822 10 0 FCAEHM Cn1cc([C@@H]2C[C@H]2C(=O)N[C@H](CO)CNC(=O)c2ccccc2[O-])cn1 ZINC001718600249 1287527064 /nfs/dbraw/zinc/52/70/64/1287527064.db2.gz WVTVXDIIFJRWLZ-AEGPPILISA-N -1 3 358.398 0.136 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@](C)(CNC(=O)[C@]12C[C@H]1COC2)C1CC1 ZINC001582656773 1281846089 /nfs/dbraw/zinc/84/60/89/1281846089.db2.gz UHNWQSPHINMBIL-RZAIGCCYSA-N -1 3 360.414 0.542 10 0 FCAEHM CCn1c2ccc(C(=O)NCc3nc(C)cc(=O)[n-]3)cc2[nH]c(=O)c1=O ZINC001583383747 1282086208 /nfs/dbraw/zinc/08/62/08/1282086208.db2.gz XXUWXHZWILIREA-UHFFFAOYSA-N -1 3 355.354 0.444 10 0 FCAEHM C[C@](O)(CN1Cc2ccccc2C1=O)C(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001631842510 1282121637 /nfs/dbraw/zinc/12/16/37/1282121637.db2.gz LDJWFPQAHCBKJE-KRWDZBQOSA-N -1 3 374.422 0.494 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NC[C@]2(OCCO)CCOC2)c1 ZINC001584113727 1282134753 /nfs/dbraw/zinc/13/47/53/1282134753.db2.gz UACNJCBSCIGRQF-QGZVFWFLSA-N -1 3 350.371 0.415 10 0 FCAEHM NS(=O)(=O)c1ccc(OCCC(=O)[N-]OCc2cccnc2)cc1 ZINC001632129017 1282158490 /nfs/dbraw/zinc/15/84/90/1282158490.db2.gz NYBHFBMMSWRNNC-UHFFFAOYSA-N -1 3 351.384 0.746 10 0 FCAEHM O=C(CNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])N1CCCC1 ZINC001632560914 1282186172 /nfs/dbraw/zinc/18/61/72/1282186172.db2.gz KQPZOPBCBQNCIB-UHFFFAOYSA-N -1 3 360.345 0.226 10 0 FCAEHM O=C(CNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O)N1CCCC1 ZINC001632560914 1282186175 /nfs/dbraw/zinc/18/61/75/1282186175.db2.gz KQPZOPBCBQNCIB-UHFFFAOYSA-N -1 3 360.345 0.226 10 0 FCAEHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1CCN(c2ncc(F)cn2)CC1 ZINC001632638517 1282194121 /nfs/dbraw/zinc/19/41/21/1282194121.db2.gz JBSNCKBRIMSJBS-UHFFFAOYSA-N -1 3 355.337 0.153 10 0 FCAEHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1CCN(c2ncc(F)cn2)CC1 ZINC001632638517 1282194122 /nfs/dbraw/zinc/19/41/22/1282194122.db2.gz JBSNCKBRIMSJBS-UHFFFAOYSA-N -1 3 355.337 0.153 10 0 FCAEHM C[C@@H]1C(=O)N([N-]C(=O)c2cc(C(=O)OC(C)(C)C)nn2C)C(=O)N1C ZINC001585143571 1282205408 /nfs/dbraw/zinc/20/54/08/1282205408.db2.gz SAVYGRPMQZCOCQ-MRVPVSSYSA-N -1 3 351.363 0.303 10 0 FCAEHM CCS(=O)(=O)c1ccc(C(=O)NCCc2c(C)[n-][nH]c2=O)c(N)c1 ZINC001585163750 1282207119 /nfs/dbraw/zinc/20/71/19/1282207119.db2.gz QQXHQLIWYFYRFH-NSHDSACASA-N -1 3 352.416 0.304 10 0 FCAEHM C[C@H](C[S@](C)=O)NC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001632783394 1282207682 /nfs/dbraw/zinc/20/76/82/1282207682.db2.gz JDUGEWBAGUKSDX-ITSYKEIMSA-N -1 3 353.375 0.371 10 0 FCAEHM C[C@H](C[S@](C)=O)NC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001632783394 1282207689 /nfs/dbraw/zinc/20/76/89/1282207689.db2.gz JDUGEWBAGUKSDX-ITSYKEIMSA-N -1 3 353.375 0.371 10 0 FCAEHM CCCCS(=O)(=O)N1CCC(C(=O)NCCCc2c[n-][nH]c2=O)CC1 ZINC001585933806 1282256909 /nfs/dbraw/zinc/25/69/09/1282256909.db2.gz MJTRDHMPOWUVQA-CQSZACIVSA-N -1 3 372.491 0.457 10 0 FCAEHM Cc1ccc(S(=O)(=O)CCC(=O)NCCCc2c[n-][nH]c2=O)cc1 ZINC001585934334 1282257437 /nfs/dbraw/zinc/25/74/37/1282257437.db2.gz VBKNRZDKOJUEJQ-ZDUSSCGKSA-N -1 3 351.428 0.787 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)c1nc2ncc(Br)cn2n1 ZINC001585937673 1282258923 /nfs/dbraw/zinc/25/89/23/1282258923.db2.gz NZXGLDIXUPQYEP-ZETCQYMHSA-N -1 3 366.179 0.129 10 0 FCAEHM CC(=O)[C@H]1CC(C(=O)NCCCc2c[n-][nH]c2=O)=NN1c1ccccc1 ZINC001634143102 1282303467 /nfs/dbraw/zinc/30/34/67/1282303467.db2.gz DUMONWHKEQTKDI-CZUORRHYSA-N -1 3 355.398 0.839 10 0 FCAEHM C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NCCCc1c[n-][nH]c1=O ZINC001634143050 1282303876 /nfs/dbraw/zinc/30/38/76/1282303876.db2.gz CMTGBZPZMBZPCG-NWDGAFQWSA-N -1 3 369.418 0.864 10 0 FCAEHM C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NCCCc1c[n-][nH]c1=O ZINC001634143049 1282304260 /nfs/dbraw/zinc/30/42/60/1282304260.db2.gz CMTGBZPZMBZPCG-NEPJUHHUSA-N -1 3 369.418 0.864 10 0 FCAEHM CN1CCN(c2ccc(NC(=O)CNC(=O)c3ncccc3[O-])cc2)CC1 ZINC001586771304 1282312959 /nfs/dbraw/zinc/31/29/59/1282312959.db2.gz LUXDDWDQSGYRCG-UHFFFAOYSA-N -1 3 369.425 0.908 10 0 FCAEHM CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001634445987 1282329857 /nfs/dbraw/zinc/32/98/57/1282329857.db2.gz JFKUHIHJMAHAIP-GFCCVEGCSA-N -1 3 354.432 0.490 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)[C@H](C)[C@@H](C)S(C)(=O)=O)CC2)n1 ZINC001634978081 1282368683 /nfs/dbraw/zinc/36/86/83/1282368683.db2.gz QHBQNHXMFQWOBK-VXGBXAGGSA-N -1 3 356.448 0.208 10 0 FCAEHM Cc1ccc2ncc(C(=O)N(C)CCc3nc([O-])c(C)c(=O)[nH]3)c(=O)n2c1 ZINC001635829430 1282435623 /nfs/dbraw/zinc/43/56/23/1282435623.db2.gz PMAVSXVGLKCPGT-UHFFFAOYSA-N -1 3 369.381 0.827 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCN(CC(F)F)C2)c(C)o1 ZINC001636570254 1282517748 /nfs/dbraw/zinc/51/77/48/1282517748.db2.gz HVXIWCAJCIPVLL-JTQLQIEISA-N -1 3 365.402 0.813 10 0 FCAEHM CN(C)CCn1nccc1NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001636715666 1282531776 /nfs/dbraw/zinc/53/17/76/1282531776.db2.gz NUUQMBIDJOTGEH-UHFFFAOYSA-N -1 3 357.374 0.277 10 0 FCAEHM CCOC(=O)c1[n-]nnc1[C@@H]1CCCN1C(=O)[C@@H]1CN(CC)CCO1 ZINC001637909426 1282638868 /nfs/dbraw/zinc/63/88/68/1282638868.db2.gz GMJLLSATTNRQHV-RYUDHWBXSA-N -1 3 351.407 0.366 10 0 FCAEHM CCOC(=O)c1nn[n-]c1[C@@H]1CCCN1C(=O)[C@@H]1CN(CC)CCO1 ZINC001637909426 1282638885 /nfs/dbraw/zinc/63/88/85/1282638885.db2.gz GMJLLSATTNRQHV-RYUDHWBXSA-N -1 3 351.407 0.366 10 0 FCAEHM CCOC(=O)c1n[n-]nc1[C@@H]1CCCN1C(=O)[C@@H]1CN(CC)CCO1 ZINC001637909426 1282638897 /nfs/dbraw/zinc/63/88/97/1282638897.db2.gz GMJLLSATTNRQHV-RYUDHWBXSA-N -1 3 351.407 0.366 10 0 FCAEHM COCCOc1cncc(C(=O)N2CCN(c3nc(C)cc(=O)[n-]3)CC2)c1 ZINC001638492847 1282701726 /nfs/dbraw/zinc/70/17/26/1282701726.db2.gz HIYZVGSELJQPGB-UHFFFAOYSA-N -1 3 373.413 0.873 10 0 FCAEHM CN1c2ccccc2C[C@@H](NC(=O)CNC(=O)c2ccc([O-])cc2)C1=O ZINC001638909668 1282733356 /nfs/dbraw/zinc/73/33/56/1282733356.db2.gz IJKWZLIJKMKISW-OAHLLOKOSA-N -1 3 353.378 0.826 10 0 FCAEHM Cc1ccc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)cc1S(N)(=O)=O ZINC001639639517 1282799974 /nfs/dbraw/zinc/79/99/74/1282799974.db2.gz DTIKLVAAQJFPGX-NSHDSACASA-N -1 3 350.400 0.701 10 0 FCAEHM Cc1cc(=O)[n-]c(CNC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2cccnc2)n1 ZINC001639660591 1282803444 /nfs/dbraw/zinc/80/34/44/1282803444.db2.gz YYKWGHFYMLEBKV-CVEARBPZSA-N -1 3 357.370 0.100 10 0 FCAEHM NC(=O)C1CC2(C1)C[C@H](NC(=O)c1ccccc1[O-])CCS2(=O)=O ZINC001639971825 1282828738 /nfs/dbraw/zinc/82/87/38/1282828738.db2.gz WSEWDBLJGQUAPJ-NOEPWBJOSA-N -1 3 352.412 0.333 10 0 FCAEHM CCC(=O)N[C@@H](CCSC)C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001640104544 1282838441 /nfs/dbraw/zinc/83/84/41/1282838441.db2.gz GLSXZNZHESPQQB-NEPJUHHUSA-N -1 3 367.475 0.525 10 0 FCAEHM CC(C)(C)OC(=O)NCCC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001640104647 1282840070 /nfs/dbraw/zinc/84/00/70/1282840070.db2.gz JQQBSBAPXBNUNE-NSHDSACASA-N -1 3 351.407 0.792 10 0 FCAEHM COc1ccc(S(N)(=O)=O)cc1C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001640594926 1282878658 /nfs/dbraw/zinc/87/86/58/1282878658.db2.gz KESBWMIUZLNPGM-VIFPVBQESA-N -1 3 366.399 0.401 10 0 FCAEHM Cc1cc(=O)[n-]c(CNC(=O)c2c[nH]nc2I)n1 ZINC001640617519 1282883334 /nfs/dbraw/zinc/88/33/34/1282883334.db2.gz NKEJIEDLRKOQGM-UHFFFAOYSA-N -1 3 359.127 0.748 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)[C@@H]2CCCN(C(C)(C)C)C2=O)[n-]1 ZINC001641468068 1282953887 /nfs/dbraw/zinc/95/38/87/1282953887.db2.gz PIOQDPOLRXVEET-JTQLQIEISA-N -1 3 351.407 0.635 10 0 FCAEHM COc1cc(N)c(C(=O)NCCCc2cc(=O)[nH][n-]2)cc1S(C)(=O)=O ZINC001641916272 1282981319 /nfs/dbraw/zinc/98/13/19/1282981319.db2.gz MRYVJUGEQQDZAP-UHFFFAOYSA-N -1 3 368.415 0.067 10 0 FCAEHM C[C@H](CN(C)C(=O)c1cnc[n-]c1=O)NC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001680036843 1283391665 /nfs/dbraw/zinc/39/16/65/1283391665.db2.gz XQDMXOCBVCTDEH-IJLUTSLNSA-N -1 3 358.402 0.296 10 0 FCAEHM CO[C@H](CNC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)[C@@H]1CCOC1 ZINC001682629465 1283727996 /nfs/dbraw/zinc/72/79/96/1283727996.db2.gz IODWHUNIHIVYLF-JHJVBQTASA-N -1 3 351.407 0.112 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1NC(=O)CN(C)c1ccccc1 ZINC001682947139 1283812056 /nfs/dbraw/zinc/81/20/56/1283812056.db2.gz ZZUJBSBCZNQPNC-CZUORRHYSA-N -1 3 369.425 0.895 10 0 FCAEHM CN(C)c1cccnc1CNC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001683015090 1283834383 /nfs/dbraw/zinc/83/43/83/1283834383.db2.gz IVBXSIRRODMPKU-GFCCVEGCSA-N -1 3 357.418 0.721 10 0 FCAEHM CN(C)c1cccnc1CNC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001683015092 1283834826 /nfs/dbraw/zinc/83/48/26/1283834826.db2.gz IVBXSIRRODMPKU-LBPRGKRZSA-N -1 3 357.418 0.721 10 0 FCAEHM CO[C@H](CC(C)C)C(=O)N1CC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)[C@@H]2C1 ZINC001702413644 1285655629 /nfs/dbraw/zinc/65/56/29/1285655629.db2.gz RTUFDKGYIMKCOH-BPLDGKMQSA-N -1 3 362.430 0.916 10 0 FCAEHM O=C(CCc1c[nH]cn1)N[C@@H]1CCCC[C@H]1NC(=O)c1cnc[n-]c1=O ZINC001702446041 1285683532 /nfs/dbraw/zinc/68/35/32/1285683532.db2.gz CWZZWDFKYDSOOF-ZIAGYGMSSA-N -1 3 358.402 0.695 10 0 FCAEHM CCOCCC(=O)N1C[C@@H](CNC(=O)c2cnc[n-]c2=O)[C@H](OCC)C1 ZINC001702567830 1285734431 /nfs/dbraw/zinc/73/44/31/1285734431.db2.gz NQTKVHFBKKQQFE-TZMCWYRMSA-N -1 3 366.418 0.202 10 0 FCAEHM CCC(C)(C)C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@]23C[C@H]2COC3)n1 ZINC001702604327 1285751189 /nfs/dbraw/zinc/75/11/89/1285751189.db2.gz NCKKEHFDEZERJS-VOJFVSQTSA-N -1 3 362.430 0.887 10 0 FCAEHM Cc1nnc(CC(=O)NC[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@H]2C)[nH]1 ZINC001702794330 1285874271 /nfs/dbraw/zinc/87/42/71/1285874271.db2.gz CQHICAYXPAUYDW-DGCLKSJQSA-N -1 3 357.414 0.886 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CCNC(=O)[C@H]1CCCOC1 ZINC001702830913 1285923376 /nfs/dbraw/zinc/92/33/76/1285923376.db2.gz KUPDORRWVOJTSB-MCIONIFRSA-N -1 3 362.430 0.823 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](C)[C@H](CCNC(=O)CC(C)(C)O)C1 ZINC001702838147 1285931299 /nfs/dbraw/zinc/93/12/99/1285931299.db2.gz KQULJQJIKUYOCW-DGCLKSJQSA-N -1 3 364.446 0.866 10 0 FCAEHM Cc1[nH]nc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2(N(C)C)CCC2)C3)c1[O-] ZINC001702999196 1286046142 /nfs/dbraw/zinc/04/61/42/1286046142.db2.gz MAGMGHMNMVELAN-UPJWGTAASA-N -1 3 361.446 0.770 10 0 FCAEHM CS(=O)(=O)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([N-]C(=O)C(F)F)C1 ZINC001703046927 1286076820 /nfs/dbraw/zinc/07/68/20/1286076820.db2.gz BGTFHCTYAGYNBZ-RNFRBKRXSA-N -1 3 366.308 0.192 10 0 FCAEHM CCN(CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C(=O)c1cnc[n-]c1=O ZINC001703716073 1286132206 /nfs/dbraw/zinc/13/22/06/1286132206.db2.gz WNWUBWBANOMCNR-VXGBXAGGSA-N -1 3 358.402 0.677 10 0 FCAEHM COC[C@@]1(C(=O)Nc2nnc(OC)[n-]2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001596257405 1286292315 /nfs/dbraw/zinc/29/23/15/1286292315.db2.gz YCPVAIKHUSDVGP-OAHLLOKOSA-N -1 3 371.394 0.404 10 0 FCAEHM COC[C@@]1(C(=O)Nc2n[n-]c(OC)n2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001596257405 1286292319 /nfs/dbraw/zinc/29/23/19/1286292319.db2.gz YCPVAIKHUSDVGP-OAHLLOKOSA-N -1 3 371.394 0.404 10 0 FCAEHM COC[C@@]1(C(=O)Nc2nc(OC)n[n-]2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001596257405 1286292326 /nfs/dbraw/zinc/29/23/26/1286292326.db2.gz YCPVAIKHUSDVGP-OAHLLOKOSA-N -1 3 371.394 0.404 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)CNC(=O)NCc3ccco3)CC2)n1 ZINC001596355887 1286298101 /nfs/dbraw/zinc/29/81/01/1286298101.db2.gz XDRKPKSJLQQLMJ-UHFFFAOYSA-N -1 3 374.401 0.232 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)N[C@H](CNC(=O)c1cnc[n-]c1=O)C(C)C ZINC001704851722 1286308918 /nfs/dbraw/zinc/30/89/18/1286308918.db2.gz FFHSXJSDIFHDIC-BNOWGMLFSA-N -1 3 350.419 0.868 10 0 FCAEHM C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2cc(-c3nnn[n-]3)ccc2F)C1=O ZINC001596990707 1286323899 /nfs/dbraw/zinc/32/38/99/1286323899.db2.gz ORAXHNBIXXNMMW-MRXNPFEDSA-N -1 3 373.348 0.665 10 0 FCAEHM C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2cc(-c3nn[n-]n3)ccc2F)C1=O ZINC001596990707 1286323910 /nfs/dbraw/zinc/32/39/10/1286323910.db2.gz ORAXHNBIXXNMMW-MRXNPFEDSA-N -1 3 373.348 0.665 10 0 FCAEHM CC(C)(C)[N-]S(=O)(=O)c1cnc(NC(=O)C[C@@H]2CCNC2=O)s1 ZINC001597071925 1286327040 /nfs/dbraw/zinc/32/70/40/1286327040.db2.gz BPLHXDADXJBMTD-QMMMGPOBSA-N -1 3 360.461 0.685 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC/C=C/CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001705062774 1286344922 /nfs/dbraw/zinc/34/49/22/1286344922.db2.gz QTCLMVYGVUGAEA-JGLYPNHGSA-N -1 3 356.386 0.420 10 0 FCAEHM C[C@@H](C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cnc[n-]c2=O)C1)n1cccn1 ZINC001736086225 1289134568 /nfs/dbraw/zinc/13/45/68/1289134568.db2.gz UVMVUDWKWRTMKY-RWMBFGLXSA-N -1 3 358.402 0.655 10 0 FCAEHM CCNC(=O)CC(=O)NC[C@H]1CC[C@@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001736095415 1289140158 /nfs/dbraw/zinc/14/01/58/1289140158.db2.gz MCBWTYVBAQWAMF-NWDGAFQWSA-N -1 3 363.418 0.032 10 0 FCAEHM CCC=C(C)C(=O)NCc1nc(CNC(=O)[C@]23C[C@H]2COC3)cc(=O)[n-]1 ZINC001719522524 1288166552 /nfs/dbraw/zinc/16/65/52/1288166552.db2.gz ONNXLCZLCSBPOH-ORTXWATBSA-N -1 3 360.414 0.807 10 0 FCAEHM CC(C)=C(F)C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@]23C[C@H]2COC3)n1 ZINC001719522669 1288166582 /nfs/dbraw/zinc/16/65/82/1288166582.db2.gz SZSKWHTYWNZFRP-BTDLBPIBSA-N -1 3 364.377 0.715 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)NCc1nc(CNC(=O)CSC)cc(=O)[n-]1 ZINC001719523404 1288167343 /nfs/dbraw/zinc/16/73/43/1288167343.db2.gz JPFOSJGOSCBDED-NEPJUHHUSA-N -1 3 368.459 0.593 10 0 FCAEHM O=C(CNC(=O)c1ccccc1)NC[C@H]1CC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC001736123943 1289160464 /nfs/dbraw/zinc/16/04/64/1289160464.db2.gz WZSFZINKGNSZFU-GXTWGEPZSA-N -1 3 370.413 0.249 10 0 FCAEHM O=C(NCC1CC1)C(=O)N1CC[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@@H]2C1 ZINC001719567697 1288185771 /nfs/dbraw/zinc/18/57/71/1288185771.db2.gz JVBOPECFWBJQHZ-CABCVRRESA-N -1 3 371.437 0.839 10 0 FCAEHM CC[C@H](CNC(=O)c1cnc[n-]c1=O)NC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001721479390 1288341707 /nfs/dbraw/zinc/34/17/07/1288341707.db2.gz RHGIGRFINVNJCD-IJLUTSLNSA-N -1 3 358.402 0.344 10 0 FCAEHM CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)NC(=O)c1cnc[n-]c1=O ZINC001721511162 1288345745 /nfs/dbraw/zinc/34/57/45/1288345745.db2.gz OJHBFUOQZYUAPB-FRRDWIJNSA-N -1 3 358.402 0.344 10 0 FCAEHM C[C@]1(CNCc2n[nH]c(=O)[n-]2)CCN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC001724230163 1288435072 /nfs/dbraw/zinc/43/50/72/1288435072.db2.gz YGHSLJSMNFPRCI-PMUMKWKESA-N -1 3 363.462 0.901 10 0 FCAEHM C[C@@H](CNC(=O)c1cc(=O)[n-]c(C2CC2)n1)N(C)C(=O)[C@]12C[C@H]1COC2 ZINC001725989558 1288484491 /nfs/dbraw/zinc/48/44/91/1288484491.db2.gz GJBZDEZKOOSMPM-RSNWOKGLSA-N -1 3 360.414 0.673 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](c3n[nH]cc3N)C2)ccc1F ZINC001607302429 1288696946 /nfs/dbraw/zinc/69/69/46/1288696946.db2.gz XIYLGLGGCZEBKT-JTQLQIEISA-N -1 3 367.406 0.669 10 0 FCAEHM O=C(N[C@@H](CO)CNC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F)c1cn[n-]n1 ZINC001735273668 1288714264 /nfs/dbraw/zinc/71/42/64/1288714264.db2.gz YBKXBQROPXMOTR-BBBLOLIVSA-N -1 3 363.340 0.380 10 0 FCAEHM COCCC(=O)N1C[C@@H]2CCN(C(=O)c3ccc4c(c3)C(=O)[N-]C4=O)[C@@H]2C1 ZINC001735714849 1288791412 /nfs/dbraw/zinc/79/14/12/1288791412.db2.gz MGHWSAKEORZFBS-SWLSCSKDSA-N -1 3 371.393 0.280 10 0 FCAEHM O=C(CCc1cccs1)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1O ZINC001735743769 1288833410 /nfs/dbraw/zinc/83/34/10/1288833410.db2.gz MSHGROGSKJQJBK-CHWSQXEVSA-N -1 3 362.411 0.178 10 0 FCAEHM CC/C=C(\C)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2c(C)nc(C)[n-]c2=O)C1 ZINC001735748274 1288840838 /nfs/dbraw/zinc/84/08/38/1288840838.db2.gz HUEUZOOQBIEBDA-ILJFBXALSA-N -1 3 362.430 0.386 10 0 FCAEHM C[C@@H](CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1)C(F)(F)F ZINC001735757698 1288864416 /nfs/dbraw/zinc/86/44/16/1288864416.db2.gz OXQNYSGJQYDWTP-FXBDTBDDSA-N -1 3 362.308 0.072 10 0 FCAEHM CC(C)C[C@@H](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001735757843 1288865474 /nfs/dbraw/zinc/86/54/74/1288865474.db2.gz ULBAUGNWWXLMFV-MRVWCRGKSA-N -1 3 350.419 0.556 10 0 FCAEHM CCC(CC)CC(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1O ZINC001735775720 1288895225 /nfs/dbraw/zinc/89/52/25/1288895225.db2.gz ZLRNRNYJZQQMQQ-CHWSQXEVSA-N -1 3 350.419 0.618 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CNC(=O)CCc1c[nH]cn1 ZINC001736371037 1289289280 /nfs/dbraw/zinc/28/92/80/1289289280.db2.gz RNEZENZNXABMBA-VXGBXAGGSA-N -1 3 358.402 0.362 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)c2ccccc2N2CCOCC2)[n-]1 ZINC001611155176 1289634216 /nfs/dbraw/zinc/63/42/16/1289634216.db2.gz YDGLBBPGODPRCD-UHFFFAOYSA-N -1 3 359.386 0.748 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(C(=O)NC[C@H]2CCN2C2CCOCC2)cn1 ZINC001611212259 1289637336 /nfs/dbraw/zinc/63/73/36/1289637336.db2.gz OAQPAWZYNQGOAT-CQSZACIVSA-N -1 3 368.459 0.436 10 0 FCAEHM Nc1ncn(CC(=O)Nc2ccc(I)cc2[O-])n1 ZINC001611516417 1289654674 /nfs/dbraw/zinc/65/46/74/1289654674.db2.gz XWJUGCRDONDMEX-UHFFFAOYSA-N -1 3 359.127 0.809 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC1(CNC(=O)[C@]23CCC[C@H]2OCC3)CC1 ZINC001738966543 1289766958 /nfs/dbraw/zinc/76/69/58/1289766958.db2.gz HNEUXIUACSRGQZ-XIKOKIGWSA-N -1 3 360.414 0.828 10 0 FCAEHM CC[C@@H](C)CC(=O)N[C@@H]1CN(C(=O)CCc2c(C)nc[n-]c2=O)C[C@H]1O ZINC001702169048 1289777782 /nfs/dbraw/zinc/77/77/82/1289777782.db2.gz KQZFUKLCARNOTG-KCPJHIHWSA-N -1 3 364.446 0.547 10 0 FCAEHM Cn1ccnc1[C@@H](O)C1CCN(Cc2nc3c(c(=O)[n-]2)COCC3)CC1 ZINC001616455159 1289778643 /nfs/dbraw/zinc/77/86/43/1289778643.db2.gz CHMGBUOINWFAAJ-INIZCTEOSA-N -1 3 359.430 0.934 10 0 FCAEHM CCCC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1)C(C)C ZINC001702185521 1289807394 /nfs/dbraw/zinc/80/73/94/1289807394.db2.gz JDIKKFDPVWPTAS-NWANDNLSSA-N -1 3 364.446 0.946 10 0 FCAEHM CCCC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1)C(C)C ZINC001702185520 1289807788 /nfs/dbraw/zinc/80/77/88/1289807788.db2.gz JDIKKFDPVWPTAS-BPLDGKMQSA-N -1 3 364.446 0.946 10 0 FCAEHM COC[C@@H](CN1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1)OC ZINC001617345926 1289833658 /nfs/dbraw/zinc/83/36/58/1289833658.db2.gz VTBFUMFXYAVPRB-LLVKDONJSA-N -1 3 363.402 0.099 10 0 FCAEHM C[C@H]1OCC[C@@]1(O)CNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001618089139 1289884738 /nfs/dbraw/zinc/88/47/38/1289884738.db2.gz HZWORYFJIIOBFV-BMLIUANNSA-N -1 3 363.345 0.144 10 0 FCAEHM C[C@H]1OCC[C@@]1(O)CNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001618089139 1289884749 /nfs/dbraw/zinc/88/47/49/1289884749.db2.gz HZWORYFJIIOBFV-BMLIUANNSA-N -1 3 363.345 0.144 10 0 FCAEHM Cc1nc(C)c(CC(=O)N2C[C@@H](C)[C@H](NC(=O)CC(C)(C)O)C2)c(=O)[n-]1 ZINC001702244061 1289905052 /nfs/dbraw/zinc/90/50/52/1289905052.db2.gz QQALMZOVQFATNF-QMTHXVAHSA-N -1 3 364.446 0.466 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(C(=O)/C=C\Cn3cncn3)CC2)n[n-]1 ZINC001618407901 1289905266 /nfs/dbraw/zinc/90/52/66/1289905266.db2.gz DDKAAKYNWLACIM-ARJAWSKDSA-N -1 3 359.390 0.535 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(C(=O)/C=C\Cn3cncn3)CC2)[n-]1 ZINC001618407901 1289905273 /nfs/dbraw/zinc/90/52/73/1289905273.db2.gz DDKAAKYNWLACIM-ARJAWSKDSA-N -1 3 359.390 0.535 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N1C[C@@H](C)[C@H](NC(=O)CC(C)(C)O)C1 ZINC001702243851 1289905411 /nfs/dbraw/zinc/90/54/11/1289905411.db2.gz OTBAAYAEFCVGCL-BXUZGUMPSA-N -1 3 364.446 0.547 10 0 FCAEHM CC[C@H](F)C(=O)N[C@@H]1CN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C[C@H]1C ZINC001702276789 1289949268 /nfs/dbraw/zinc/94/92/68/1289949268.db2.gz ZRNOGWJITHXOCD-BIGNPOOSSA-N -1 3 361.373 0.895 10 0 FCAEHM C[C@H](CCNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])[S@](C)=O ZINC001622136145 1290096658 /nfs/dbraw/zinc/09/66/58/1290096658.db2.gz ZNFZTPOYHFZPBY-JUTIIYIPSA-N -1 3 367.402 0.761 10 0 FCAEHM C[C@H](CCNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O)[S@](C)=O ZINC001622136145 1290096667 /nfs/dbraw/zinc/09/66/67/1290096667.db2.gz ZNFZTPOYHFZPBY-JUTIIYIPSA-N -1 3 367.402 0.761 10 0 FCAEHM CO[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1NC(=O)[C@H](C)C(F)(F)F ZINC001739586584 1290202025 /nfs/dbraw/zinc/20/20/25/1290202025.db2.gz AFAZRRXOEVOJJX-FXBDTBDDSA-N -1 3 362.308 0.336 10 0 FCAEHM C[C@H](NC(=O)Cn1cnnn1)C(=O)Nc1ccc(Br)cc1[O-] ZINC001624498761 1290276073 /nfs/dbraw/zinc/27/60/73/1290276073.db2.gz IPJRXSPVOHGTNE-ZETCQYMHSA-N -1 3 369.179 0.285 10 0 FCAEHM O=C(c1nc[n-]c(=O)c1Br)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC001626345656 1290391150 /nfs/dbraw/zinc/39/11/50/1290391150.db2.gz LNMTWZGUDFQTNG-VHSXEESVSA-N -1 3 371.235 0.616 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc2c(c(S(N)(=O)=O)c1)CCC2 ZINC001627153036 1290441650 /nfs/dbraw/zinc/44/16/50/1290441650.db2.gz MYVONUPJIHRUHU-GFCCVEGCSA-N -1 3 364.427 0.065 10 0 FCAEHM CNC(=O)c1cncc(C=CC(=O)Nc2[n-]nc3cc(C)n(C)c(=O)c32)c1 ZINC001627187640 1290445408 /nfs/dbraw/zinc/44/54/08/1290445408.db2.gz NHQKEJKDXJKWSK-PLNGDYQASA-N -1 3 366.381 0.977 10 0 FCAEHM CO[C@@H](C)C(=O)NCc1nc(CNC(=O)C[C@@H]2C[C@H]2C2CC2)cc(=O)[n-]1 ZINC001739980041 1290457607 /nfs/dbraw/zinc/45/76/07/1290457607.db2.gz BXSMUERDKWFTIE-JKOKRWQUSA-N -1 3 362.430 0.886 10 0 FCAEHM CC(C)[C@H](F)C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@]23C[C@H]2COC3)n1 ZINC001739982729 1290459061 /nfs/dbraw/zinc/45/90/61/1290459061.db2.gz KDYBMFBTACVEGB-NCHVAJSOSA-N -1 3 366.393 0.445 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)c1 ZINC001627748451 1290483819 /nfs/dbraw/zinc/48/38/19/1290483819.db2.gz BBFDJGUOZQJDHV-NSHDSACASA-N -1 3 353.400 0.280 10 0 FCAEHM O=C(CCN1C(=O)NC2(CCCC2)C1=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001628246545 1290518861 /nfs/dbraw/zinc/51/88/61/1290518861.db2.gz RACIWDPJWCLFPJ-LLVKDONJSA-N -1 3 361.402 0.686 10 0 FCAEHM C[C@@]1(c2ccc(C(=O)N3CC[C@H](c4cc(=O)[nH][n-]4)C3)cc2)NC(=O)NC1=O ZINC001628247485 1290519490 /nfs/dbraw/zinc/51/94/90/1290519490.db2.gz YULHUVKUQVXAMO-VOJFVSQTSA-N -1 3 369.381 0.800 10 0 FCAEHM Cc1c(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)cnn1-c1ccc(=O)[nH]n1 ZINC001628255613 1290520199 /nfs/dbraw/zinc/52/01/99/1290520199.db2.gz VHTAEYFOYWGHSX-UHFFFAOYSA-N -1 3 359.371 0.391 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cn(CCO)nc1C1CCOCC1 ZINC001628274251 1290523023 /nfs/dbraw/zinc/52/30/23/1290523023.db2.gz FWMZYPDDUMDVRD-ZDUSSCGKSA-N -1 3 363.418 0.011 10 0 FCAEHM O=C(NC1CCN(C(=O)c2cn[nH]c2)CC1)c1cc(=O)[n-]c(C2CC2)n1 ZINC001628964438 1290566275 /nfs/dbraw/zinc/56/62/75/1290566275.db2.gz MDNORLCSRROFEV-UHFFFAOYSA-N -1 3 356.386 0.817 10 0 FCAEHM COc1ccc(CNC(=O)C=CC(=O)NCCCc2cc(=O)[nH][n-]2)cc1 ZINC001629043998 1290572575 /nfs/dbraw/zinc/57/25/75/1290572575.db2.gz VZMXXIUDXLCXFG-HJWRWDBZSA-N -1 3 358.398 0.640 10 0 FCAEHM COc1ccc([C@@H](CC(=O)NCCCc2c[n-][nH]c2=O)NC(C)=O)cc1 ZINC001630631285 1290682352 /nfs/dbraw/zinc/68/23/52/1290682352.db2.gz HFKOAEIVWZCYON-GDBMZVCRSA-N -1 3 360.414 0.891 10 0 FCAEHM Cc1nnnn1C(=Cc1ccc(F)cc1)C(=O)NCCCc1c[n-][nH]c1=O ZINC001630631665 1290682545 /nfs/dbraw/zinc/68/25/45/1290682545.db2.gz LUOZQBCKSUOQMJ-GULXKOIASA-N -1 3 371.376 0.747 10 0 FCAEHM CN(C)S(=O)(=O)c1ccsc1C(=O)NCCCc1c[n-][nH]c1=O ZINC001630632732 1290684333 /nfs/dbraw/zinc/68/43/33/1290684333.db2.gz XFEBJZCJKIAKQT-VIFPVBQESA-N -1 3 358.445 0.240 10 0 FCAEHM COc1nnc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)[n-]1 ZINC001630683856 1290687635 /nfs/dbraw/zinc/68/76/35/1290687635.db2.gz OPWQQQXMGQZJQQ-PWSUYJOCSA-N -1 3 363.349 0.095 10 0 FCAEHM COc1nc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)n[n-]1 ZINC001630683856 1290687638 /nfs/dbraw/zinc/68/76/38/1290687638.db2.gz OPWQQQXMGQZJQQ-PWSUYJOCSA-N -1 3 363.349 0.095 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)n1 ZINC001630683856 1290687642 /nfs/dbraw/zinc/68/76/42/1290687642.db2.gz OPWQQQXMGQZJQQ-PWSUYJOCSA-N -1 3 363.349 0.095 10 0 FCAEHM NC(=O)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O ZINC001757832827 1290819029 /nfs/dbraw/zinc/81/90/29/1290819029.db2.gz IEIRAVCZHOAGOS-RTXFEEFZSA-N -1 3 361.402 0.090 10 0 FCAEHM COc1c(=O)[n-]c(=O)[nH]c1C(=O)Nc1cc(C)cc(S(C)(=O)=O)c1 ZINC001643308626 1290874029 /nfs/dbraw/zinc/87/40/29/1290874029.db2.gz JJDCUKXGTFLXKC-UHFFFAOYSA-N -1 3 353.356 0.861 10 0 FCAEHM CCS(=O)(=O)N1CCC[C@H](C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)C1 ZINC001644268944 1290952276 /nfs/dbraw/zinc/95/22/76/1290952276.db2.gz RVNIDTOOHNJPFM-VIFPVBQESA-N -1 3 360.461 0.149 10 0 FCAEHM Cc1c([O-])ccc2c(CN3CCS(=O)(=O)C[C@@H]3CCO)cc(=O)oc12 ZINC001644597101 1290965330 /nfs/dbraw/zinc/96/53/30/1290965330.db2.gz SIHUFUYPEWBUCX-ZDUSSCGKSA-N -1 3 367.423 0.788 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)[C@H](C)NC(=O)c3ccco3)CC2)n1 ZINC001644864909 1290989858 /nfs/dbraw/zinc/98/98/58/1290989858.db2.gz ADOWBRVFBVEDAR-LBPRGKRZSA-N -1 3 359.386 0.551 10 0 FCAEHM Cc1noc(COc2ccc(C(=O)[N-]N3C(=O)[C@H](C)N(C)C3=O)cn2)n1 ZINC001645981465 1291052397 /nfs/dbraw/zinc/05/23/97/1291052397.db2.gz BHKZCIYTUHFOIB-QMMMGPOBSA-N -1 3 360.330 0.279 10 0 FCAEHM CCOC(=O)c1cccc2[n-]c(NC(=O)CCNS(C)(=O)=O)nc21 ZINC001647758882 1291072022 /nfs/dbraw/zinc/07/20/22/1291072022.db2.gz IFCYGASLZAQHHI-UHFFFAOYSA-N -1 3 354.388 0.617 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)c1cnn(CCO)c1-c1ccccc1 ZINC001647857789 1291079327 /nfs/dbraw/zinc/07/93/27/1291079327.db2.gz AWIHKMOGYBQLMR-AWEZNQCLSA-N -1 3 355.398 0.784 10 0 FCAEHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCO[C@H](CS(C)(=O)=O)C2)c1 ZINC001648002294 1291094065 /nfs/dbraw/zinc/09/40/65/1291094065.db2.gz UWHNMPNFMOWNBD-LBPRGKRZSA-N -1 3 356.400 0.236 10 0 FCAEHM CNC(=O)NC[C@H]1COCCN1Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC001648118438 1291103130 /nfs/dbraw/zinc/10/31/30/1291103130.db2.gz FWHMKKYWMCHGDC-ZDUSSCGKSA-N -1 3 361.398 0.937 10 0 FCAEHM COc1nnc(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)s1 ZINC001648311161 1291117526 /nfs/dbraw/zinc/11/75/26/1291117526.db2.gz HYAWFQNFMBJLAH-UHFFFAOYSA-N -1 3 362.165 0.210 10 0 FCAEHM CCC1(CC(=O)NCC(=O)Nc2cccc3c(=O)[nH][n-]c(=O)c23)COC1 ZINC001648493392 1291125489 /nfs/dbraw/zinc/12/54/89/1291125489.db2.gz FBRBXTDFLGBXLE-UHFFFAOYSA-N -1 3 360.370 0.912 10 0 FCAEHM CCS(=O)(=O)N[C@@H](C)C(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001648505081 1291126371 /nfs/dbraw/zinc/12/63/71/1291126371.db2.gz UCCNYQONCMIKAX-SRVKXCTJSA-N -1 3 356.448 0.652 10 0 FCAEHM CS(=O)(=O)N1CC(C(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)C1 ZINC001648507612 1291126464 /nfs/dbraw/zinc/12/64/64/1291126464.db2.gz BFCMXCABWFEOCC-UMSPYCQHSA-N -1 3 354.432 0.216 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](c3cn(C)nn3)C2)c(C)o1 ZINC001648645116 1291135136 /nfs/dbraw/zinc/13/51/36/1291135136.db2.gz GSCGAIHKEKEKFF-LLVKDONJSA-N -1 3 367.431 0.644 10 0 FCAEHM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)c1ncc(Br)cn1 ZINC001650748022 1291178058 /nfs/dbraw/zinc/17/80/58/1291178058.db2.gz CQTPWXJMRRPZNP-UHFFFAOYSA-N -1 3 366.175 0.737 10 0 FCAEHM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)[C@H]1CNC(=O)C[C@H]1C(F)(F)F ZINC001650748354 1291178100 /nfs/dbraw/zinc/17/81/00/1291178100.db2.gz IHSFOTOVJMZZHD-IONNQARKSA-N -1 3 374.319 0.186 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC001650852370 1291181031 /nfs/dbraw/zinc/18/10/31/1291181031.db2.gz CZOVOBPLDQFHFZ-APPDUMDISA-N -1 3 361.402 0.260 10 0 FCAEHM Cc1ccc(C(=O)NCC(=O)NCC(=O)NCc2ccccc2)c([O-])c1 ZINC001651566747 1291228046 /nfs/dbraw/zinc/22/80/46/1291228046.db2.gz DREYLHSMCQTAIK-UHFFFAOYSA-N -1 3 355.394 0.863 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)[C@@H]3CC(c4cnn(C)c4)=NO3)CC2)n1 ZINC001652071136 1291257957 /nfs/dbraw/zinc/25/79/57/1291257957.db2.gz OONDKEPLYRJBBC-AWEZNQCLSA-N -1 3 371.401 0.066 10 0 FCAEHM CC(=O)c1cc(Cn2cc(I)c(=O)[n-]c2=O)on1 ZINC001652840582 1291305824 /nfs/dbraw/zinc/30/58/24/1291305824.db2.gz MYAFALWNOQWALJ-UHFFFAOYSA-N -1 3 361.095 0.792 10 0 FCAEHM Cc1nn(CC(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)c(=O)o1 ZINC001653265377 1291331305 /nfs/dbraw/zinc/33/13/05/1291331305.db2.gz GMNGNOKPOWJUIG-UHFFFAOYSA-N -1 3 357.326 0.864 10 0 FCAEHM Cc1nn(CC(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)c(=O)o1 ZINC001653265377 1291331315 /nfs/dbraw/zinc/33/13/15/1291331315.db2.gz GMNGNOKPOWJUIG-UHFFFAOYSA-N -1 3 357.326 0.864 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccc2c(c1)C(=O)NCCO2 ZINC001653313466 1291335749 /nfs/dbraw/zinc/33/57/49/1291335749.db2.gz UMPNEUDLVUEFJB-LBPRGKRZSA-N -1 3 369.381 0.313 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)[C@H]1CCCN1c1ncccn1 ZINC001653313920 1291336303 /nfs/dbraw/zinc/33/63/03/1291336303.db2.gz XRECGLHSENSAHZ-QWHCGFSZSA-N -1 3 355.402 0.336 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)[n-]1 ZINC001654490356 1291414485 /nfs/dbraw/zinc/41/44/85/1291414485.db2.gz PECBQGVDNPQYSG-AOOOYVTPSA-N -1 3 367.406 0.901 10 0 FCAEHM O=C(CNC(=O)c1ccc([O-])cc1)N1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001654800705 1291436646 /nfs/dbraw/zinc/43/66/46/1291436646.db2.gz PUDGWEFAUHNFRM-STQMWFEESA-N -1 3 352.412 0.015 10 0 FCAEHM COc1ccccc1[C@@H]1C[C@H]1C(=O)NC[C@H](C)NCc1nc(=O)n(C)[n-]1 ZINC001662355910 1291721004 /nfs/dbraw/zinc/72/10/04/1291721004.db2.gz AUPPOLVQNBNUIM-FPMFFAJLSA-N -1 3 359.430 0.515 10 0 FCAEHM O=C(NC1CN(CCC[N-]C(=O)C(F)(F)F)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001665165243 1291841530 /nfs/dbraw/zinc/84/15/30/1291841530.db2.gz CVAJOBPDGODABI-FHUSYTEZSA-N -1 3 361.364 0.279 10 0 FCAEHM COC[C@H](NC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)[C@H]1CCCOC1 ZINC001676119094 1292194239 /nfs/dbraw/zinc/19/42/39/1292194239.db2.gz UYGMHQUECFMQJE-MJBXVCDLSA-N -1 3 365.434 0.502 10 0 FCAEHM COC(=O)[C@@H]1CCN(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)C[C@@H]1C ZINC001676589445 1292210844 /nfs/dbraw/zinc/21/08/44/1292210844.db2.gz XJSUWQOCBBVCHT-RWMBFGLXSA-N -1 3 363.418 0.602 10 0 FCAEHM CC(C)C(=O)N1CCN(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)CC1 ZINC001676589492 1292211139 /nfs/dbraw/zinc/21/11/39/1292211139.db2.gz XVDDSAVMTUWCBC-CYBMUJFWSA-N -1 3 362.434 0.271 10 0 FCAEHM CCCOCC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)c2cn[n-]n2)CC1 ZINC001677653786 1292240875 /nfs/dbraw/zinc/24/08/75/1292240875.db2.gz ZVZYAKHWQHRLOY-CJNGLKHVSA-N -1 3 365.434 0.357 10 0 FCAEHM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)NC[C@H](O)c1ccccc1F ZINC001684869535 1292347125 /nfs/dbraw/zinc/34/71/25/1292347125.db2.gz PLKPQWGAVBCEIQ-AWEZNQCLSA-N -1 3 362.361 0.927 10 0 FCAEHM COCC(=O)N[C@H](C)C(=O)N1CC[C@H](NC(=O)c2ccccc2[O-])[C@H]1C ZINC001685167317 1292439582 /nfs/dbraw/zinc/43/95/82/1292439582.db2.gz SJXYOASHQQJBMN-BZPMIXESSA-N -1 3 363.414 0.263 10 0 FCAEHM COCCC(=O)N1CC[C@H](NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)[C@H]1C ZINC001685339808 1292504145 /nfs/dbraw/zinc/50/41/45/1292504145.db2.gz ICRKUDIOFZZNFO-YGRLFVJLSA-N -1 3 359.382 0.326 10 0 FCAEHM COC[C@H](OC)C(=O)N1C[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@]2(C)C1 ZINC001685487933 1292538386 /nfs/dbraw/zinc/53/83/86/1292538386.db2.gz LMFGCWVGQMZOOQ-IYJAJMOOSA-N -1 3 362.426 0.974 10 0 FCAEHM COC(=O)CCCCCNC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001685645594 1292582040 /nfs/dbraw/zinc/58/20/40/1292582040.db2.gz UFJZEJOJQDSARD-GFCCVEGCSA-N -1 3 351.407 0.794 10 0 FCAEHM COc1ccccc1[C@H](CO)NC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001685645685 1292582234 /nfs/dbraw/zinc/58/22/34/1292582234.db2.gz WKBZDAWBMAEDJA-JSGCOSHPSA-N -1 3 373.413 0.802 10 0 FCAEHM CN(CC(=O)NC(C)(C)C)C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001685645327 1292582464 /nfs/dbraw/zinc/58/24/64/1292582464.db2.gz QRMRUARNHCNAIO-LLVKDONJSA-N -1 3 350.423 0.317 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CCSC[C@H]1CCO ZINC001685649495 1292583096 /nfs/dbraw/zinc/58/30/96/1292583096.db2.gz LFDPOUYSGDCWCF-VXGBXAGGSA-N -1 3 353.448 0.270 10 0 FCAEHM CC(C)(CN1CCOCC1)NC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001685649992 1292583314 /nfs/dbraw/zinc/58/33/14/1292583314.db2.gz VRMMXDYUQMTHJB-ZDUSSCGKSA-N -1 3 364.450 0.171 10 0 FCAEHM CCO[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O)C1CC1 ZINC001686013544 1292731781 /nfs/dbraw/zinc/73/17/81/1292731781.db2.gz BULCFKUROJIAIP-UQOMUDLDSA-N -1 3 360.414 0.859 10 0 FCAEHM C[C@@H](NC(=O)C1CCCC1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn[n-]n1)C2 ZINC001686046600 1292743987 /nfs/dbraw/zinc/74/39/87/1292743987.db2.gz BIOCTCAMPFPTEX-PBOSXPJTSA-N -1 3 374.445 0.361 10 0 FCAEHM Cc1cc(CCC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cnc[n-]c2=O)no1 ZINC001686094293 1292765301 /nfs/dbraw/zinc/76/53/01/1292765301.db2.gz XTBOLWXTMMSYKI-SNPRPXQTSA-N -1 3 371.397 0.973 10 0 FCAEHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001686215898 1292831835 /nfs/dbraw/zinc/83/18/35/1292831835.db2.gz UMIGEZFKCCNMNE-SFYZADRCSA-N -1 3 367.353 0.685 10 0 FCAEHM NC(=O)[C@H](F)C1CCN(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)CC1 ZINC001687789466 1293012665 /nfs/dbraw/zinc/01/26/65/1293012665.db2.gz BIYUSVLGHOMXRY-SMDDNHRTSA-N -1 3 366.397 0.006 10 0 FCAEHM O=S1(=O)[N-]C(CN2CCN(CCCCO)CC2)=Nc2ccccc21 ZINC000746488389 836187545 /nfs/dbraw/zinc/18/75/45/836187545.db2.gz RVXSKNLDYYGOTO-UHFFFAOYSA-N -1 3 352.460 0.399 10 0 FCAEHM CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)C1(N2CCOCC2)CC1 ZINC001118933246 847640442 /nfs/dbraw/zinc/64/04/42/847640442.db2.gz JTBJRZPVGXZMOS-UHFFFAOYSA-N -1 3 371.434 0.678 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)[C@@H](C[C@H]1COCCO1)C(F)(F)F ZINC001119596457 847905788 /nfs/dbraw/zinc/90/57/88/847905788.db2.gz XJLPIFWAZMQIKO-GARJFASQSA-N -1 3 351.325 0.599 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)OCCCN2CCO[C@H](C)C2)c(C)o1 ZINC001123115990 848570439 /nfs/dbraw/zinc/57/04/39/848570439.db2.gz DRIMJCLWSSXFFL-LLVKDONJSA-N -1 3 360.432 0.764 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)[C@H]1CCC(=O)O1 ZINC001127400905 848719911 /nfs/dbraw/zinc/71/99/11/848719911.db2.gz RAMAEANSGYYTBN-SSDOTTSWSA-N -1 3 352.821 0.502 10 0 FCAEHM Cn1cc(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)[nH]c1=O ZINC001128384071 848742112 /nfs/dbraw/zinc/74/21/12/848742112.db2.gz MPUPTMNIWZKOQG-UHFFFAOYSA-N -1 3 360.342 0.112 10 0 FCAEHM CO[C@@]1(CNC(=O)CCc2c(C)nc(C)[n-]c2=O)CCS(=O)(=O)C1 ZINC001133983754 849169237 /nfs/dbraw/zinc/16/92/37/849169237.db2.gz HRJYKMSRDFXLNR-OAHLLOKOSA-N -1 3 357.432 0.052 10 0 FCAEHM CON(C)S(=O)(=O)c1ccc(C(=O)NCCc2c(C)[n-][nH]c2=O)cc1 ZINC001136653028 849233382 /nfs/dbraw/zinc/23/33/82/849233382.db2.gz JYVVIIZIUKNPLQ-CYBMUJFWSA-N -1 3 368.415 0.110 10 0 FCAEHM CCS(=O)(=O)c1ccccc1CC(=O)Nc1n[n-]c(CC(=O)OC)n1 ZINC001136932023 849248783 /nfs/dbraw/zinc/24/87/83/849248783.db2.gz FWCQDKMZQMAXQU-UHFFFAOYSA-N -1 3 366.399 0.495 10 0 FCAEHM COC[C@H](CNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])OC ZINC001138157670 849301207 /nfs/dbraw/zinc/30/12/07/849301207.db2.gz PHQVMOVWUGRYIZ-LBPRGKRZSA-N -1 3 351.334 0.265 10 0 FCAEHM COC[C@H](CNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O)OC ZINC001138157670 849301215 /nfs/dbraw/zinc/30/12/15/849301215.db2.gz PHQVMOVWUGRYIZ-LBPRGKRZSA-N -1 3 351.334 0.265 10 0 FCAEHM CCc1nc[nH]c1C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001138740987 849317686 /nfs/dbraw/zinc/31/76/86/849317686.db2.gz BIOBEBGBLZWLGG-UHFFFAOYSA-N -1 3 358.370 0.959 10 0 FCAEHM CCS(=O)(=O)N(C)CC(=O)N[C@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001140274126 849359791 /nfs/dbraw/zinc/35/97/91/849359791.db2.gz ZNGMYJPTUJPAFY-GHMZBOCLSA-N -1 3 372.447 0.148 10 0 FCAEHM C[C@H](NC(=O)/C=C1\SCC(=O)N1C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001140273129 849360465 /nfs/dbraw/zinc/36/04/65/849360465.db2.gz UTHYESJBKKFVKH-JJHWJEQVSA-N -1 3 364.427 0.913 10 0 FCAEHM O=C(NCCCCN1CCOCC1)c1nc[n-]c(=O)c1Br ZINC001141742500 849408502 /nfs/dbraw/zinc/40/85/02/849408502.db2.gz FJBGXISYOQFXKD-UHFFFAOYSA-N -1 3 359.224 0.787 10 0 FCAEHM CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)C1 ZINC001144503167 849524321 /nfs/dbraw/zinc/52/43/21/849524321.db2.gz SVQGAUSGGLTEMY-NWDGAFQWSA-N -1 3 356.448 0.493 10 0 FCAEHM O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001164338849 850407610 /nfs/dbraw/zinc/40/76/10/850407610.db2.gz PPWRNZKTYXKHHJ-PHIMTYICSA-N -1 3 364.427 0.652 10 0 FCAEHM CC(C)S(=O)(=O)c1cccc(C(=O)[N-]N2C(=O)[C@@H](C)N(C)C2=O)c1 ZINC001167406123 850543293 /nfs/dbraw/zinc/54/32/93/850543293.db2.gz XXDFZYJBJCAJBP-SNVBAGLBSA-N -1 3 353.400 0.796 10 0 FCAEHM CCOc1nnc(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)[n-]1 ZINC001174745466 850746394 /nfs/dbraw/zinc/74/63/94/850746394.db2.gz QSKHRLSTATYVAJ-QXEWZRGKSA-N -1 3 354.436 0.868 10 0 FCAEHM CCOc1nc(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)n[n-]1 ZINC001174745466 850746402 /nfs/dbraw/zinc/74/64/02/850746402.db2.gz QSKHRLSTATYVAJ-QXEWZRGKSA-N -1 3 354.436 0.868 10 0 FCAEHM CCOc1n[n-]c(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)n1 ZINC001174745466 850746410 /nfs/dbraw/zinc/74/64/10/850746410.db2.gz QSKHRLSTATYVAJ-QXEWZRGKSA-N -1 3 354.436 0.868 10 0 FCAEHM NC(=O)CC1CC(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC001177389305 850845197 /nfs/dbraw/zinc/84/51/97/850845197.db2.gz UNTKDZDCFWJVKJ-UHFFFAOYSA-N -1 3 365.864 0.450 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)NC(C)(C)CNS(C)(=O)=O)c([O-])c1 ZINC001178416187 850898748 /nfs/dbraw/zinc/89/87/48/850898748.db2.gz BGAALSSAIMPUFF-UHFFFAOYSA-N -1 3 371.459 0.265 10 0 FCAEHM C[C@H](CC(=O)N[C@@H]1CC12CC(O)C2)[N-]S(=O)(=O)c1cccnc1Cl ZINC001178968827 850941535 /nfs/dbraw/zinc/94/15/35/850941535.db2.gz UJFBLUGJXUXBMA-XEOUCCKCSA-N -1 3 373.862 0.822 10 0 FCAEHM Cc1nnc(COCC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)s1 ZINC001180027090 851010450 /nfs/dbraw/zinc/01/04/50/851010450.db2.gz CTXYYQDWUOMZDR-JTQLQIEISA-N -1 3 350.404 0.254 10 0 FCAEHM CC(C)(NS(C)(=O)=O)C(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001180221163 851018831 /nfs/dbraw/zinc/01/88/31/851018831.db2.gz BYOULSISDGYYFF-XYPYZODXSA-N -1 3 356.448 0.652 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)[C@@H]2COCCN2C2CCCC2)[n-]1 ZINC001183193623 851230155 /nfs/dbraw/zinc/23/01/55/851230155.db2.gz OEZNELUICYOJRI-LBPRGKRZSA-N -1 3 351.407 0.241 10 0 FCAEHM CCOC(=O)c1nc(CNC(=O)[C@@H]2COCCN2C2CCCC2)n[n-]1 ZINC001183193623 851230165 /nfs/dbraw/zinc/23/01/65/851230165.db2.gz OEZNELUICYOJRI-LBPRGKRZSA-N -1 3 351.407 0.241 10 0 FCAEHM CCOC(=O)c1n[n-]c(CNC(=O)[C@@H]2COCCN2C2CCCC2)n1 ZINC001183193623 851230174 /nfs/dbraw/zinc/23/01/74/851230174.db2.gz OEZNELUICYOJRI-LBPRGKRZSA-N -1 3 351.407 0.241 10 0 FCAEHM CCOC(=O)c1nc(CNC(=O)C[C@H](n2ccnc2)C(F)(F)F)n[n-]1 ZINC001183192709 851230377 /nfs/dbraw/zinc/23/03/77/851230377.db2.gz CRVAJXXYJVOWFX-QMMMGPOBSA-N -1 3 360.296 0.988 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)C[C@H](n2ccnc2)C(F)(F)F)[n-]1 ZINC001183192709 851230391 /nfs/dbraw/zinc/23/03/91/851230391.db2.gz CRVAJXXYJVOWFX-QMMMGPOBSA-N -1 3 360.296 0.988 10 0 FCAEHM CCOC(=O)c1n[n-]c(CNC(=O)C[C@H](n2ccnc2)C(F)(F)F)n1 ZINC001183192709 851230401 /nfs/dbraw/zinc/23/04/01/851230401.db2.gz CRVAJXXYJVOWFX-QMMMGPOBSA-N -1 3 360.296 0.988 10 0 FCAEHM O=C(CCNC(=O)OCC(F)(F)F)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001183879434 851276066 /nfs/dbraw/zinc/27/60/66/851276066.db2.gz ZNNBTUBGCVUWJK-UHFFFAOYSA-N -1 3 354.310 0.766 10 0 FCAEHM O=C(NCCC1SCCS1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC001261715071 858643995 /nfs/dbraw/zinc/64/39/95/858643995.db2.gz YTZYGZIFUDQYPZ-UHFFFAOYSA-N -1 3 369.394 0.752 10 0 FCAEHM CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC001261790015 858665326 /nfs/dbraw/zinc/66/53/26/858665326.db2.gz XVOOTGIUUDDMFJ-MWLCHTKSSA-N -1 3 371.390 0.512 10 0 FCAEHM CS(=O)(=O)c1cc(S(=O)(=O)[N-][C@H]2C[C@H](C(N)=O)C2)c(Cl)s1 ZINC001261797265 858667738 /nfs/dbraw/zinc/66/77/38/858667738.db2.gz BPLAQDJSWYUKPL-IZLXSQMJSA-N -1 3 372.877 0.347 10 0 FCAEHM CCCN(C(=O)NC[C@H]1CCN1C1CCOCC1)[C@@H](COC)C(=O)[O-] ZINC001262210231 858820334 /nfs/dbraw/zinc/82/03/34/858820334.db2.gz QQJHLQFZHUYMSO-CABCVRRESA-N -1 3 357.451 0.761 10 0 FCAEHM CO[C@@H]1COCC[C@H]1CC(=O)N[C@H]1CCN(c2nc(C)cc(=O)[n-]2)C1 ZINC001263912737 859238278 /nfs/dbraw/zinc/23/82/78/859238278.db2.gz BBCLHYBVEGYZPV-MELADBBJSA-N -1 3 350.419 0.627 10 0 FCAEHM CCC[C@@H](OC)C(=O)N1CC[C@@H](C)C[C@H]1CNCc1nc(=O)n(C)[n-]1 ZINC001263999823 859275243 /nfs/dbraw/zinc/27/52/43/859275243.db2.gz UDEKIYZXZQBMCB-HZSPNIEDSA-N -1 3 353.467 0.640 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NC[C@H]1COCCN1CCC[N-]C(=O)C(F)(F)F ZINC001272886008 860290865 /nfs/dbraw/zinc/29/08/65/860290865.db2.gz RXDGWYPJHAFBEW-FRRDWIJNSA-N -1 3 365.396 0.918 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2c(C)nc[n-]c2=O)CCN1C(=O)[C@@H](C)COC ZINC001282273164 864158855 /nfs/dbraw/zinc/15/88/55/864158855.db2.gz VABAGUWAEQFXBK-WCFLWFBJSA-N -1 3 350.419 0.882 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H](C)S(=O)(=O)c1ccc(F)cc1 ZINC001292968331 865765807 /nfs/dbraw/zinc/76/58/07/865765807.db2.gz NXBOEJVHIDRKOK-ZWNOBZJWSA-N -1 3 355.391 0.616 10 0 FCAEHM C[C@H](O)CN1CCN(C(=O)c2nc[n-]c(=O)c2Br)[C@@H](C)C1 ZINC001296815311 865991111 /nfs/dbraw/zinc/99/11/11/865991111.db2.gz VQSYDIHKQFZWKP-IUCAKERBSA-N -1 3 359.224 0.472 10 0 FCAEHM O=C(NCCNC(=O)c1cc(=O)[n-]cn1)c1ccc(Br)cn1 ZINC001300715107 866234155 /nfs/dbraw/zinc/23/41/55/866234155.db2.gz QVHYAMGSUULWGM-UHFFFAOYSA-N -1 3 366.175 0.500 10 0 FCAEHM CCNS(=O)(=O)c1ccc(F)c(C(=O)NCCCc2c[n-][nH]c2=O)c1 ZINC001301562306 866270926 /nfs/dbraw/zinc/27/09/26/866270926.db2.gz VFWOXDWSRLWFIS-JTQLQIEISA-N -1 3 370.406 0.366 10 0 FCAEHM CC(C)(CNC(=O)Cn1cc(Br)c(=O)[n-]c1=O)n1cccn1 ZINC001301631811 866277375 /nfs/dbraw/zinc/27/73/75/866277375.db2.gz KMTGCUCKSGYMNM-UHFFFAOYSA-N -1 3 370.207 0.459 10 0 FCAEHM CN(C)CCn1nccc1C(=O)NC[C@H](SCC(=O)[O-])C(F)(F)F ZINC001350782026 866687480 /nfs/dbraw/zinc/68/74/80/866687480.db2.gz JWHHKTJOFBWCBV-JTQLQIEISA-N -1 3 368.381 0.923 10 0 FCAEHM O=C([O-])c1cc(F)cc(S(=O)(=O)N2CCC(N3CC[C@H](O)C3)CC2)c1 ZINC001352084179 867024477 /nfs/dbraw/zinc/02/44/77/867024477.db2.gz MMDVLQCFSOXPSV-AWEZNQCLSA-N -1 3 372.418 0.744 10 0 FCAEHM O=C([O-])c1cc(F)cc(S(=O)(=O)N2CCC(N3CC[C@@H](O)C3)CC2)c1 ZINC001352084342 867024968 /nfs/dbraw/zinc/02/49/68/867024968.db2.gz MMDVLQCFSOXPSV-CQSZACIVSA-N -1 3 372.418 0.744 10 0 FCAEHM Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1CCC(N2CC[C@@H](O)C2)CC1 ZINC001352083732 867025031 /nfs/dbraw/zinc/02/50/31/867025031.db2.gz DPIXEJDCHZATEF-CQSZACIVSA-N -1 3 368.455 0.913 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(C(=O)CCCCC(N)=O)CC2)n[n-]1 ZINC001320813793 868286522 /nfs/dbraw/zinc/28/65/22/868286522.db2.gz GNPXGUXSFUSINZ-UHFFFAOYSA-N -1 3 351.407 0.733 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(C(=O)CCCCC(N)=O)CC2)[n-]1 ZINC001320813793 868286528 /nfs/dbraw/zinc/28/65/28/868286528.db2.gz GNPXGUXSFUSINZ-UHFFFAOYSA-N -1 3 351.407 0.733 10 0 FCAEHM C[N@H+](CC(=O)[O-])C1CCN(S(=O)(=O)c2c[n-]c3ncccc23)CC1 ZINC001321454254 868480059 /nfs/dbraw/zinc/48/00/59/868480059.db2.gz POBKWNQMOUWXBF-UHFFFAOYSA-N -1 3 352.416 0.732 10 0 FCAEHM C[N@@H+](CC(=O)[O-])C1CCN(S(=O)(=O)c2c[n-]c3ncccc23)CC1 ZINC001321454254 868480069 /nfs/dbraw/zinc/48/00/69/868480069.db2.gz POBKWNQMOUWXBF-UHFFFAOYSA-N -1 3 352.416 0.732 10 0 FCAEHM CN1C[C@@H](NC(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)CCC1=O ZINC001323738637 869333169 /nfs/dbraw/zinc/33/31/69/869333169.db2.gz KCUUGMURXVZYSE-JTQLQIEISA-N -1 3 372.422 0.617 10 0 FCAEHM Cn1nc(C2CC2)cc1NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC001325231930 869823236 /nfs/dbraw/zinc/82/32/36/869823236.db2.gz LETMZRBSYWGGMW-UHFFFAOYSA-N -1 3 368.191 0.961 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)C[C@H]3CCCS(=O)(=O)C3)cc2n(C)c1=O ZINC001326468462 870335995 /nfs/dbraw/zinc/33/59/95/870335995.db2.gz VBIAXDBRMMXGTI-SNVBAGLBSA-N -1 3 367.427 0.736 10 0 FCAEHM O=C(N[C@@H]1CC[C@H](CNC(=O)[C@]2(F)CCOC2)C1)c1cnc[n-]c1=O ZINC001344310419 870818653 /nfs/dbraw/zinc/81/86/53/870818653.db2.gz INUQSMVAWNCECT-USBNGQNGSA-N -1 3 352.366 0.326 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CCNC(=O)c1csnn1 ZINC001346513745 871877096 /nfs/dbraw/zinc/87/70/96/871877096.db2.gz BGNYKSCHPBQCNN-NXEZZACHSA-N -1 3 362.415 0.562 10 0 FCAEHM C[C@@H]1C[C@H](NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)c2ncnn21 ZINC001329363725 871979507 /nfs/dbraw/zinc/97/95/07/871979507.db2.gz JTOLJRQROADKET-SVRRBLITSA-N -1 3 369.179 0.125 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@H]2C[C@@H](C)n3ncnc32)on1 ZINC001329792014 872260456 /nfs/dbraw/zinc/26/04/56/872260456.db2.gz HIRFROBKKOEIIB-SCZZXKLOSA-N -1 3 355.376 0.568 10 0 FCAEHM C[C@@]1(C2CC2)CN(C(=O)C(=O)NCc2nc(C(F)(F)F)n[n-]2)CCO1 ZINC001331023725 872918182 /nfs/dbraw/zinc/91/81/82/872918182.db2.gz SDLOLTORZLNTKC-ZDUSSCGKSA-N -1 3 361.324 0.467 10 0 FCAEHM COCCn1cc(C[N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)cn1 ZINC001331987926 873325065 /nfs/dbraw/zinc/32/50/65/873325065.db2.gz XOFGXHKXGYUBNZ-UHFFFAOYSA-N -1 3 367.353 0.760 10 0 FCAEHM COC(=O)C1CC2(C1)CN(C(=O)NC[C@@H]1CCCN1C)C[C@@H]2C(=O)[O-] ZINC001333074554 873791024 /nfs/dbraw/zinc/79/10/24/873791024.db2.gz YGRNFTLDRNIBHY-XPFWZQFZSA-N -1 3 353.419 0.376 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)[C@H]3COCCN3CC(F)F)cc2n(C)c1=O ZINC000291631519 214047279 /nfs/dbraw/zinc/04/72/79/214047279.db2.gz UUPKPKBJYUGAAP-GFCCVEGCSA-N -1 3 370.356 0.487 10 0 FCAEHM CCOCc1nc([C@@H](C)NC(=O)C[N-]S(=O)(=O)c2cccs2)no1 ZINC000291921325 214065358 /nfs/dbraw/zinc/06/53/58/214065358.db2.gz ONNXLPGXWDYRMN-SECBINFHSA-N -1 3 374.444 0.823 10 0 FCAEHM COc1ncnc(OC)c1C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000292044339 214074144 /nfs/dbraw/zinc/07/41/44/214074144.db2.gz RSWJZPBZNBLITD-UHFFFAOYSA-N -1 3 359.342 0.642 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)C(C)(C)S(=O)(=O)C3CC3)cc2n(C)c1=O ZINC000292097468 214076707 /nfs/dbraw/zinc/07/67/07/214076707.db2.gz ZAIKPUNUGWZYKR-UHFFFAOYSA-N -1 3 367.427 0.877 10 0 FCAEHM Cc1c(C(=O)NCC[N-]S(=O)(=O)c2cccs2)nnn1C(C)C ZINC000292514588 214106446 /nfs/dbraw/zinc/10/64/46/214106446.db2.gz NPNNFIFWXYXDMF-UHFFFAOYSA-N -1 3 357.461 0.937 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCC(=O)N(C)C2)c(F)cc1C ZINC000293648798 214190014 /nfs/dbraw/zinc/19/00/14/214190014.db2.gz XXDYXBJFAAHVNQ-JTQLQIEISA-N -1 3 358.391 0.820 10 0 FCAEHM O=C([C@H]1CCCN(c2ccccc2)C1=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000294467066 214246959 /nfs/dbraw/zinc/24/69/59/214246959.db2.gz ZGPUHMHQWQFTOO-KUHUBIRLSA-N -1 3 370.409 0.630 10 0 FCAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@H](C)Cn1cncn1 ZINC000295691969 214312103 /nfs/dbraw/zinc/31/21/03/214312103.db2.gz LTHMBIFYSSSASD-RKDXNWHRSA-N -1 3 358.342 0.470 10 0 FCAEHM CC1(C)C(=O)N(Cc2ccccc2)CCN1C(=O)CN1CC(=O)[N-]C1=O ZINC000296156410 214334024 /nfs/dbraw/zinc/33/40/24/214334024.db2.gz SLBXBVFZUXSMLZ-UHFFFAOYSA-N -1 3 358.398 0.188 10 0 FCAEHM C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000296249175 214339919 /nfs/dbraw/zinc/33/99/19/214339919.db2.gz WRTMYOFHSJVPIC-NXEZZACHSA-N -1 3 368.381 0.888 10 0 FCAEHM O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)N[C@H]1CCCNC1=O ZINC000296876812 214367115 /nfs/dbraw/zinc/36/71/15/214367115.db2.gz LMNUAHROBRECOG-LBPRGKRZSA-N -1 3 370.406 0.667 10 0 FCAEHM CC[C@@H](CO)N1CCN(C(=O)C[N-]S(=O)(=O)c2ccccc2F)CC1 ZINC000291521501 214039633 /nfs/dbraw/zinc/03/96/33/214039633.db2.gz VDRACGOMPXSSCX-ZDUSSCGKSA-N -1 3 373.450 0.019 10 0 FCAEHM Cc1cc(C[C@H](C)NC(=O)C[N-]S(=O)(=O)c2ccccc2F)[nH]n1 ZINC000291312528 214025269 /nfs/dbraw/zinc/02/52/69/214025269.db2.gz OSDNLTNZVIAPNO-JTQLQIEISA-N -1 3 354.407 0.883 10 0 FCAEHM COCC[C@H]1COCCN1C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000291159367 214016300 /nfs/dbraw/zinc/01/63/00/214016300.db2.gz IHDJFMUGFLGNCN-STQMWFEESA-N -1 3 374.434 0.756 10 0 FCAEHM CN(C)C(=O)C1CCN(C(=O)CCn2[n-]c(=O)c3ccccc3c2=O)CC1 ZINC000299296909 214691753 /nfs/dbraw/zinc/69/17/53/214691753.db2.gz MDWGPEYWOQVPNV-UHFFFAOYSA-N -1 3 372.425 0.407 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)N1CCO[C@]2(CCCOC2)C1 ZINC000290938498 214004401 /nfs/dbraw/zinc/00/44/01/214004401.db2.gz PQQJSOZPVDYTPH-MRXNPFEDSA-N -1 3 372.418 0.512 10 0 FCAEHM CC(=O)c1cnc(NC(=O)C[N-]S(=O)(=O)c2c(C)noc2C)s1 ZINC000290515137 213969817 /nfs/dbraw/zinc/96/98/17/213969817.db2.gz ONGOHGNAZUTCRW-UHFFFAOYSA-N -1 3 358.401 0.868 10 0 FCAEHM CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)CN1CC(=O)[N-]C1=O ZINC000265475869 210143081 /nfs/dbraw/zinc/14/30/81/210143081.db2.gz ZVGPHQPKOKGRHA-UHFFFAOYSA-N -1 3 352.778 0.969 10 0 FCAEHM COC(=O)Cc1n[n-]c(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)n1 ZINC000265455640 210138379 /nfs/dbraw/zinc/13/83/79/210138379.db2.gz OHJWJBNFOBTQQW-LLVKDONJSA-N -1 3 357.370 0.820 10 0 FCAEHM COC(=O)Cc1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)[n-]1 ZINC000265455640 210138383 /nfs/dbraw/zinc/13/83/83/210138383.db2.gz OHJWJBNFOBTQQW-LLVKDONJSA-N -1 3 357.370 0.820 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)n[n-]1 ZINC000265455640 210138385 /nfs/dbraw/zinc/13/83/85/210138385.db2.gz OHJWJBNFOBTQQW-LLVKDONJSA-N -1 3 357.370 0.820 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@@H]1CCS(=O)(=O)C1 ZINC000289295623 213859800 /nfs/dbraw/zinc/85/98/00/213859800.db2.gz HOJNLUOUSFYSDB-SECBINFHSA-N -1 3 351.402 0.148 10 0 FCAEHM CCOC(=O)CCS(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000265169259 210067607 /nfs/dbraw/zinc/06/76/07/210067607.db2.gz AKKCKERHVGFHAQ-AWEZNQCLSA-N -1 3 356.444 0.559 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]CCN2C(=O)CCC2=O)c(Cl)c1 ZINC000265104334 210056121 /nfs/dbraw/zinc/05/61/21/210056121.db2.gz YOQWQYXMSASAJV-UHFFFAOYSA-N -1 3 374.802 0.554 10 0 FCAEHM CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)CN2CC(=O)[N-]C2=O)C1 ZINC000264894238 210008567 /nfs/dbraw/zinc/00/85/67/210008567.db2.gz VZVIZNVHCGRWDF-NSHDSACASA-N -1 3 354.407 0.396 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NCCCNc1ccc(C(F)(F)F)cn1 ZINC000264883553 210006968 /nfs/dbraw/zinc/00/69/68/210006968.db2.gz TYVYFCCSMBSJKU-UHFFFAOYSA-N -1 3 359.308 0.570 10 0 FCAEHM CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)CNC(=O)c2cccc([O-])c2)C1 ZINC000286520590 213503608 /nfs/dbraw/zinc/50/36/08/213503608.db2.gz YBFCUPUEWCJONY-CQSZACIVSA-N -1 3 369.443 0.004 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000333117977 215238523 /nfs/dbraw/zinc/23/85/23/215238523.db2.gz ZGMVGYVVEWOQFT-WKSBVSIWSA-N -1 3 357.432 0.642 10 0 FCAEHM CN(CC(=O)[O-])[C@@H]1CN(C(=O)[C@H]2C[C@]23CCOc2ccccc23)C[C@H]1O ZINC000333312257 215262809 /nfs/dbraw/zinc/26/28/09/215262809.db2.gz VMHWJYLEQJODOS-GPINWOSQSA-N -1 3 360.410 0.315 10 0 FCAEHM O=C(NCCCN1CCOC1=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000360247883 215357593 /nfs/dbraw/zinc/35/75/93/215357593.db2.gz YKKJXUVHKIOUHS-AWEZNQCLSA-N -1 3 361.398 0.955 10 0 FCAEHM CNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000361525315 215396839 /nfs/dbraw/zinc/39/68/39/215396839.db2.gz IFLSZTYJRYEJKJ-ZFWWWQNUSA-N -1 3 359.426 0.981 10 0 FCAEHM CC[C@H]1CN(C(=O)c2cc(S(=O)(=O)[N-]C)oc2C)C[C@@]2(CCOC2)O1 ZINC000366541400 215993041 /nfs/dbraw/zinc/99/30/41/215993041.db2.gz SFZZQNTUWLLNBG-BLLLJJGKSA-N -1 3 372.443 0.906 10 0 FCAEHM CSc1nc2ncnc(N3CCC[C@@]4(C3)NC(=O)[N-]C4=O)c2s1 ZINC000366767924 216028889 /nfs/dbraw/zinc/02/88/89/216028889.db2.gz DEUBRDNIHWYFGZ-ZDUSSCGKSA-N -1 3 350.429 0.987 10 0 FCAEHM O=C(COc1ccccc1)N1CC[C@@H]([N-]S(=O)(=O)c2c[nH]cn2)C1 ZINC000367209100 216092151 /nfs/dbraw/zinc/09/21/51/216092151.db2.gz ZJYVAZBQERFWAD-GFCCVEGCSA-N -1 3 350.400 0.368 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000367284524 216100859 /nfs/dbraw/zinc/10/08/59/216100859.db2.gz DJVPGCLMDBVJJE-RYUDHWBXSA-N -1 3 371.484 0.544 10 0 FCAEHM O=C(CN1CCN(C(=O)c2ccccc2[O-])CC1)N1CCOC[C@H]1C1CC1 ZINC000367239390 216096479 /nfs/dbraw/zinc/09/64/79/216096479.db2.gz CVAJCXFJUYRZOR-KRWDZBQOSA-N -1 3 373.453 0.787 10 0 FCAEHM O=C(/C=C/c1cncc([O-])c1)N1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000367244962 216096801 /nfs/dbraw/zinc/09/68/01/216096801.db2.gz DJIDDNXZNQYQLA-GORDUTHDSA-N -1 3 351.428 0.827 10 0 FCAEHM CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)C[C@@H]3NC(=O)[N-]C3=O)CC[C@H]21 ZINC000368349426 216237049 /nfs/dbraw/zinc/23/70/49/216237049.db2.gz RQPPFGRKNBCDHW-SDDRHHMPSA-N -1 3 366.418 0.442 10 0 FCAEHM C[C@H]1CC2(CCC2)CN1S(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000368439295 216248793 /nfs/dbraw/zinc/24/87/93/216248793.db2.gz SSZJNHXDCJDIJK-JTQLQIEISA-N -1 3 364.427 0.987 10 0 FCAEHM CN(CC1(O)CCOCC1)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000368733581 216289474 /nfs/dbraw/zinc/28/94/74/216289474.db2.gz PSIVFJXMAASUGW-OAHLLOKOSA-N -1 3 362.426 0.997 10 0 FCAEHM CCCn1[n-]cc/c1=N\C(=O)CN1CCC[C@H]([N@H+](C)CC(=O)[O-])CC1 ZINC000191998428 209293169 /nfs/dbraw/zinc/29/31/69/209293169.db2.gz JQUMQMDWVUNLLX-PTJLRZKYSA-N -1 3 351.451 0.524 10 0 FCAEHM CCCn1[n-]cc/c1=N\C(=O)CN1CCC[C@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000191998428 209293171 /nfs/dbraw/zinc/29/31/71/209293171.db2.gz JQUMQMDWVUNLLX-PTJLRZKYSA-N -1 3 351.451 0.524 10 0 FCAEHM O=C1[N-]C(=O)[C@@]2(CCCN(S(=O)(=O)c3ccc4ncsc4c3)C2)N1 ZINC000278880284 212494977 /nfs/dbraw/zinc/49/49/77/212494977.db2.gz ZORWZKCWIJOXEW-AWEZNQCLSA-N -1 3 366.424 0.659 10 0 FCAEHM CCS(=O)(=O)C[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000369287899 216379241 /nfs/dbraw/zinc/37/92/41/216379241.db2.gz LSCSUIHWSXKIRM-OCCSQVGLSA-N -1 3 368.455 0.936 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(S(=O)(=O)[C@@H]3CCO[C@H]3C)CC2)n[n-]1 ZINC000369338386 216386355 /nfs/dbraw/zinc/38/63/55/216386355.db2.gz IGIFASNLRBVCRM-CMPLNLGQSA-N -1 3 372.447 0.668 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(S(=O)(=O)[C@@H]3CCO[C@H]3C)CC2)[n-]1 ZINC000369338386 216386357 /nfs/dbraw/zinc/38/63/57/216386357.db2.gz IGIFASNLRBVCRM-CMPLNLGQSA-N -1 3 372.447 0.668 10 0 FCAEHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]C(C)(C)[C@H](O)C(=O)OC ZINC000277014662 212319197 /nfs/dbraw/zinc/31/91/97/212319197.db2.gz IVMXIVDLMSCSEP-SNVBAGLBSA-N -1 3 365.429 0.434 10 0 FCAEHM Cn1cc(C(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)c(=O)[n-]c1=O ZINC000276857431 212298541 /nfs/dbraw/zinc/29/85/41/212298541.db2.gz LZAPIIXSRMBMPJ-CYBMUJFWSA-N -1 3 360.345 0.156 10 0 FCAEHM CCc1cc(C(=O)N2CC[C@H](N(C)Cc3cc(=O)[n-]c(N(C)C)n3)C2)[nH]n1 ZINC000276435077 212233416 /nfs/dbraw/zinc/23/34/16/212233416.db2.gz LXOXJPOHRLBCRF-AWEZNQCLSA-N -1 3 373.461 0.880 10 0 FCAEHM CCc1cc(C(=O)N2CC[C@H](N(C)Cc3cc(=O)[n-]c(N(C)C)n3)C2)n[nH]1 ZINC000276435077 212233419 /nfs/dbraw/zinc/23/34/19/212233419.db2.gz LXOXJPOHRLBCRF-AWEZNQCLSA-N -1 3 373.461 0.880 10 0 FCAEHM Cc1cc(C)c(N2CC[C@@H](NC(=O)c3cn(C)c(=O)[n-]c3=O)C2=O)c(C)c1 ZINC000276433874 212233494 /nfs/dbraw/zinc/23/34/94/212233494.db2.gz JHQIUYNRFGJKAJ-CQSZACIVSA-N -1 3 370.409 0.946 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2Cn2ccnc2C)cn1 ZINC000186032039 209183283 /nfs/dbraw/zinc/18/32/83/209183283.db2.gz LFBCDDSUPFFDDQ-AWEZNQCLSA-N -1 3 363.443 0.799 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)OC)cn1 ZINC000276271767 212201370 /nfs/dbraw/zinc/20/13/70/212201370.db2.gz QHCCTVIQJMRTSX-OUCADQQQSA-N -1 3 367.427 0.403 10 0 FCAEHM O=C(C[C@@H]1NC(=O)NC1=O)[N-]OCc1ccc(F)cc1Br ZINC000275682749 212073473 /nfs/dbraw/zinc/07/34/73/212073473.db2.gz SLNWORRQBXKXJR-VIFPVBQESA-N -1 3 360.139 0.734 10 0 FCAEHM C[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F)c1ncn(C)n1 ZINC000275558438 212050951 /nfs/dbraw/zinc/05/09/51/212050951.db2.gz MLBHZXXEIVRBEP-ZJUUUORDSA-N -1 3 355.395 0.498 10 0 FCAEHM COc1ccc2c(CN3CCC[C@]4(C3)NC(=O)[N-]C4=O)cc(=O)oc2c1 ZINC000373846144 217067451 /nfs/dbraw/zinc/06/74/51/217067451.db2.gz SHJZPIMSWBJGRG-GOSISDBHSA-N -1 3 357.366 0.976 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)s1 ZINC000374146262 217101154 /nfs/dbraw/zinc/10/11/54/217101154.db2.gz RLDPQRVBKFVVRK-IVZWLZJFSA-N -1 3 358.441 0.822 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]C[C@H]2CCC3(CCOCC3)[C@@H]2O)nc1Cl ZINC000374736252 217164210 /nfs/dbraw/zinc/16/42/10/217164210.db2.gz MKUOMLVTXBSTIC-ZYHUDNBSSA-N -1 3 363.867 0.920 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000374930238 217193466 /nfs/dbraw/zinc/19/34/66/217193466.db2.gz RHCZATSEPURMSF-STQMWFEESA-N -1 3 371.434 0.036 10 0 FCAEHM COc1ccc(C2=NO[C@H](CNC(=O)CN3CC(=O)[N-]C3=O)C2)cc1C ZINC000374873255 217184392 /nfs/dbraw/zinc/18/43/92/217184392.db2.gz CRFGKEDQBYNZGM-LBPRGKRZSA-N -1 3 360.370 0.165 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC(O)(c3ccc(F)cc3)C2)cn1 ZINC000375026262 217207644 /nfs/dbraw/zinc/20/76/44/217207644.db2.gz YFRYMTSWMBLBHR-UHFFFAOYSA-N -1 3 365.386 0.472 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)N1CCO[C@@]2(CCOC2)C1 ZINC000375068149 217212824 /nfs/dbraw/zinc/21/28/24/217212824.db2.gz IYZVGQDYKBJHIJ-INIZCTEOSA-N -1 3 372.418 0.512 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000375584077 217287646 /nfs/dbraw/zinc/28/76/46/217287646.db2.gz MWRRFNXNBMGJHD-ODOQXGPZSA-N -1 3 374.484 0.376 10 0 FCAEHM C[C@@]1(c2ccc(CNC(=O)N3C[C@H]4CCC[C@@H](C3)N4)cc2)NC(=O)[N-]C1=O ZINC000417426177 245692353 /nfs/dbraw/zinc/69/23/53/245692353.db2.gz FVROAIWNNPVTAI-KHYOSLBOSA-N -1 3 371.441 0.777 10 0 FCAEHM CC(=O)Nc1ccc(N2C(=O)C[C@@H](SC[C@H](N)C(=O)[O-])C2=O)cc1 ZINC000016900233 220195959 /nfs/dbraw/zinc/19/59/59/220195959.db2.gz UVPXAAQCACHPNQ-NWDGAFQWSA-N -1 3 351.384 0.422 10 0 FCAEHM CC1(C)CN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C[C@H](CO)O1 ZINC000421931811 246714307 /nfs/dbraw/zinc/71/43/07/246714307.db2.gz JBQSVPBOOLZHSH-HIFRSBDPSA-N -1 3 362.426 0.995 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@@H]2C[C@@]2(F)c2ccccc2)cn1C ZINC000425009972 247284283 /nfs/dbraw/zinc/28/42/83/247284283.db2.gz QECZMVQEPLGSAE-CZUORRHYSA-N -1 3 366.418 0.760 10 0 FCAEHM CN1CC[C@H](C[N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)CC1=O ZINC000425186091 247302847 /nfs/dbraw/zinc/30/28/47/247302847.db2.gz SYGSLSLJQVWTEK-NSHDSACASA-N -1 3 360.457 0.237 10 0 FCAEHM O=C(N[C@H](CO)CN1CCOCC1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000425298555 247320083 /nfs/dbraw/zinc/32/00/83/247320083.db2.gz XAJREEWPVUDTQP-NSHDSACASA-N -1 3 367.352 0.229 10 0 FCAEHM Cc1ccccc1C(=O)NCC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000436644972 248045184 /nfs/dbraw/zinc/04/51/84/248045184.db2.gz YVFZXBFXUIMJIS-UHFFFAOYSA-N -1 3 355.394 0.977 10 0 FCAEHM CCn1cccc(C[N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)c1=O ZINC000435930406 248025470 /nfs/dbraw/zinc/02/54/70/248025470.db2.gz XEOMHEFELJWCKR-UHFFFAOYSA-N -1 3 370.452 0.750 10 0 FCAEHM C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1)C(N)=O ZINC000438343922 248084171 /nfs/dbraw/zinc/08/41/71/248084171.db2.gz VDKUUATWXGFTFI-SSDOTTSWSA-N -1 3 368.337 0.523 10 0 FCAEHM NC(=O)c1ccc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cn1 ZINC000436853184 248053682 /nfs/dbraw/zinc/05/36/82/248053682.db2.gz BZBOTDTWHNUHFM-UHFFFAOYSA-N -1 3 369.381 0.876 10 0 FCAEHM COC(=O)c1coc(C(=O)[N-]c2ccc(S(=O)(=O)N(C)C)cn2)c1 ZINC000439296398 248120362 /nfs/dbraw/zinc/12/03/62/248120362.db2.gz MMGQYZMTQNDQSX-UHFFFAOYSA-N -1 3 353.356 0.964 10 0 FCAEHM C[C@@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)C(=O)Cc1ccccc1 ZINC000440981323 248229601 /nfs/dbraw/zinc/22/96/01/248229601.db2.gz OJHNIQMXMMAZOE-GFCCVEGCSA-N -1 3 364.427 0.015 10 0 FCAEHM CCOC[C@H](C)NC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000441111396 248238718 /nfs/dbraw/zinc/23/87/18/248238718.db2.gz BHYVUGQEMKKDPD-JTQLQIEISA-N -1 3 365.402 0.967 10 0 FCAEHM O=C1[N-]C(=O)N2CCN(S(=O)(=O)c3cnccc3C(F)(F)F)C[C@H]12 ZINC000442767497 248296201 /nfs/dbraw/zinc/29/62/01/248296201.db2.gz RAECFMGVMVDMKM-MRVPVSSYSA-N -1 3 364.305 0.025 10 0 FCAEHM Cc1cc(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)cnn1 ZINC000442962536 248302110 /nfs/dbraw/zinc/30/21/10/248302110.db2.gz CKBCEYVOWGSUOJ-UHFFFAOYSA-N -1 3 356.354 0.772 10 0 FCAEHM O=S(=O)(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CC(n2ccnn2)C1 ZINC000443034800 248304195 /nfs/dbraw/zinc/30/41/95/248304195.db2.gz FHVDAAFOANSRPL-UHFFFAOYSA-N -1 3 366.794 0.357 10 0 FCAEHM O=S(=O)(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CC(n2ccnn2)C1 ZINC000443034800 248304197 /nfs/dbraw/zinc/30/41/97/248304197.db2.gz FHVDAAFOANSRPL-UHFFFAOYSA-N -1 3 366.794 0.357 10 0 FCAEHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CC(=O)NCc1ccco1 ZINC000443096649 248307935 /nfs/dbraw/zinc/30/79/35/248307935.db2.gz WDISCFHESDVUNN-UHFFFAOYSA-N -1 3 370.358 0.800 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]C[C@@H](CO)Cc2ccc(OC)c(O)c2)c1 ZINC000443257229 248316973 /nfs/dbraw/zinc/31/69/73/248316973.db2.gz YCGBMIQQFDNMDZ-ZDUSSCGKSA-N -1 3 369.443 0.747 10 0 FCAEHM COC(=O)c1nscc1S(=O)(=O)[N-]C[C@@H](CO)c1ccccc1 ZINC000443348561 248322629 /nfs/dbraw/zinc/32/26/29/248322629.db2.gz BNALIVCVFCWPIL-NSHDSACASA-N -1 3 356.425 0.984 10 0 FCAEHM CCc1ccc(NC(=O)C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)cc1CC ZINC000442035359 248271850 /nfs/dbraw/zinc/27/18/50/248271850.db2.gz RKARDAFRYACIKW-CQSZACIVSA-N -1 3 358.398 0.513 10 0 FCAEHM O=C(CCCNC(=O)c1ccsc1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000447747703 248426251 /nfs/dbraw/zinc/42/62/51/248426251.db2.gz VAEHEDQYAJVOBD-MRXNPFEDSA-N -1 3 364.427 0.459 10 0 FCAEHM CN(C)c1nc(C(=O)NC2CCC(CS(C)(=O)=O)CC2)cc(=O)[n-]1 ZINC000452276643 249306278 /nfs/dbraw/zinc/30/62/78/249306278.db2.gz KMHSVNUOCXVWEA-UHFFFAOYSA-N -1 3 356.448 0.581 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC[C@](O)(C(F)F)C1 ZINC000452696102 249328207 /nfs/dbraw/zinc/32/82/07/249328207.db2.gz SWVDZLHFTRFLSP-PRHODGIISA-N -1 3 354.400 0.643 10 0 FCAEHM CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000271411598 211396911 /nfs/dbraw/zinc/39/69/11/211396911.db2.gz KBHLVVNGEWLIAS-KBPBESRZSA-N -1 3 351.378 0.942 10 0 FCAEHM CC(C)(C)OC(=O)NC[C@](C)(NC(=O)C[C@@H]1NC(=O)[N-]C1=O)C1CC1 ZINC000271389078 211392782 /nfs/dbraw/zinc/39/27/82/211392782.db2.gz FTBDCZWBPHYWLN-QFYYESIMSA-N -1 3 354.407 0.394 10 0 FCAEHM COc1nnc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)[n-]1 ZINC000271362301 211388000 /nfs/dbraw/zinc/38/80/00/211388000.db2.gz NMSNQPBFAKQHPO-LBPRGKRZSA-N -1 3 365.415 0.995 10 0 FCAEHM COc1nc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)n[n-]1 ZINC000271362301 211388006 /nfs/dbraw/zinc/38/80/06/211388006.db2.gz NMSNQPBFAKQHPO-LBPRGKRZSA-N -1 3 365.415 0.995 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)n1 ZINC000271362301 211388010 /nfs/dbraw/zinc/38/80/10/211388010.db2.gz NMSNQPBFAKQHPO-LBPRGKRZSA-N -1 3 365.415 0.995 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@H](O)C(C)C)cc1F ZINC000271233689 211360870 /nfs/dbraw/zinc/36/08/70/211360870.db2.gz VUXLZXWSBQEBFM-ZDUSSCGKSA-N -1 3 368.452 0.883 10 0 FCAEHM COc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)[n-]1 ZINC000271276539 211368830 /nfs/dbraw/zinc/36/88/30/211368830.db2.gz NAZWUOYWCLKQRT-UHFFFAOYSA-N -1 3 359.795 0.969 10 0 FCAEHM COc1nc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)n[n-]1 ZINC000271276539 211368834 /nfs/dbraw/zinc/36/88/34/211368834.db2.gz NAZWUOYWCLKQRT-UHFFFAOYSA-N -1 3 359.795 0.969 10 0 FCAEHM COc1n[n-]c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)n1 ZINC000271276539 211368839 /nfs/dbraw/zinc/36/88/39/211368839.db2.gz NAZWUOYWCLKQRT-UHFFFAOYSA-N -1 3 359.795 0.969 10 0 FCAEHM COc1nnc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(OC)cc2)[n-]1 ZINC000271255405 211366197 /nfs/dbraw/zinc/36/61/97/211366197.db2.gz GPCAWVKJROHXOE-QMMMGPOBSA-N -1 3 355.376 0.127 10 0 FCAEHM COc1nc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(OC)cc2)n[n-]1 ZINC000271255405 211366201 /nfs/dbraw/zinc/36/62/01/211366201.db2.gz GPCAWVKJROHXOE-QMMMGPOBSA-N -1 3 355.376 0.127 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(OC)cc2)n1 ZINC000271255405 211366203 /nfs/dbraw/zinc/36/62/03/211366203.db2.gz GPCAWVKJROHXOE-QMMMGPOBSA-N -1 3 355.376 0.127 10 0 FCAEHM CN1C(=O)C[C@@H](NC(=O)CN2CC(=O)[N-]C2=O)[C@@H]1c1ccc(Cl)cc1 ZINC000271091435 211333782 /nfs/dbraw/zinc/33/37/82/211333782.db2.gz HWDISNNLFRHECO-ABAIWWIYSA-N -1 3 364.789 0.280 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000271083507 211329943 /nfs/dbraw/zinc/32/99/43/211329943.db2.gz XYGAQBGONVWTNC-NSHDSACASA-N -1 3 360.197 0.912 10 0 FCAEHM CCOc1cccc(CNC(=O)C[C@@H]2NC(=O)[N-]C2=O)c1OC(F)F ZINC000270948500 211304549 /nfs/dbraw/zinc/30/45/49/211304549.db2.gz WWPCARALLLCLHJ-VIFPVBQESA-N -1 3 357.313 0.901 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCN(C(=O)OCc2ccccc2)CC1 ZINC000270968915 211308522 /nfs/dbraw/zinc/30/85/22/211308522.db2.gz BWZPKBUONRGFIT-ZDUSSCGKSA-N -1 3 360.370 0.066 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000270847963 211281570 /nfs/dbraw/zinc/28/15/70/211281570.db2.gz WUKVJUXRGNUBKY-LBPRGKRZSA-N -1 3 364.789 0.109 10 0 FCAEHM C[C@@H](CNC(=O)C[C@@H]1NC(=O)[N-]C1=O)Oc1ccc(Br)cc1 ZINC000270805256 211272181 /nfs/dbraw/zinc/27/21/81/211272181.db2.gz MTCSZTSCBWJSFM-KWQFWETISA-N -1 3 370.203 0.931 10 0 FCAEHM COc1cc(CN(C)C(=O)C[C@@H]2NC(=O)[N-]C2=O)c(SC)cc1OC ZINC000270795485 211269129 /nfs/dbraw/zinc/26/91/29/211269129.db2.gz KVQAIAKRNOZWFL-JTQLQIEISA-N -1 3 367.427 0.982 10 0 FCAEHM CCOc1c(Cl)cc(CNC(=O)C[C@@H]2NC(=O)[N-]C2=O)cc1OC ZINC000270760196 211262843 /nfs/dbraw/zinc/26/28/43/211262843.db2.gz XJIFEXILJXYZRI-JTQLQIEISA-N -1 3 355.778 0.962 10 0 FCAEHM COc1ccc([C@H](CNC(=O)C[C@@H]2NC(=O)[N-]C2=O)N2CCCC2)cc1 ZINC000270622387 211236184 /nfs/dbraw/zinc/23/61/84/211236184.db2.gz SDMWVDQFXQRYMW-GJZGRUSLSA-N -1 3 360.414 0.546 10 0 FCAEHM CN(C[C@H]1CCCN1C(=O)C[C@@H]1NC(=O)[N-]C1=O)C(=O)OC(C)(C)C ZINC000270616388 211236195 /nfs/dbraw/zinc/23/61/95/211236195.db2.gz RZPBGJZKRNPSHY-MNOVXSKESA-N -1 3 354.407 0.442 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000270597222 211232590 /nfs/dbraw/zinc/23/25/90/211232590.db2.gz NNPIRMCMGRBDGX-MNOVXSKESA-N -1 3 350.762 0.160 10 0 FCAEHM COc1cccc(CN(C[C@H]2CCCO2)C(=O)C[C@@H]2NC(=O)[N-]C2=O)c1 ZINC000270588023 211228641 /nfs/dbraw/zinc/22/86/41/211228641.db2.gz LERMRSVPBAMTHH-CABCVRRESA-N -1 3 361.398 0.801 10 0 FCAEHM CC1(C)NC(=O)N(CC(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)C1=O ZINC000471920926 250123751 /nfs/dbraw/zinc/12/37/51/250123751.db2.gz UXTOFFGAXCVXIS-UHFFFAOYSA-N -1 3 374.397 0.007 10 0 FCAEHM CCOC1CC(CNC(=O)NCc2ncccc2[O-])(N2CCOCC2)C1 ZINC000472234629 250139323 /nfs/dbraw/zinc/13/93/23/250139323.db2.gz WJAUAIXPBWHKJO-UHFFFAOYSA-N -1 3 364.446 0.856 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](O)c2cnn(C)c2)c(Cl)c1 ZINC000269889800 211111342 /nfs/dbraw/zinc/11/13/42/211111342.db2.gz XNOPJFLHXNFNSR-LBPRGKRZSA-N -1 3 373.818 0.872 10 0 FCAEHM COC(=O)C1CCC([N-]S(=O)(=O)N2CCC[C@@H]2C)(C(=O)OC)CC1 ZINC000472605054 250166148 /nfs/dbraw/zinc/16/61/48/250166148.db2.gz WIJQCACAFDGWLO-BZUNDVKYSA-N -1 3 362.448 0.580 10 0 FCAEHM O=C(NCc1ncccc1[O-])C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000473032287 250195684 /nfs/dbraw/zinc/19/56/84/250195684.db2.gz GDGBTUQDFGPTAJ-UHFFFAOYSA-N -1 3 357.305 0.157 10 0 FCAEHM CCOC(=O)COc1cccc(NC(=O)C(=O)NCc2ncccc2[O-])c1 ZINC000473067737 250198502 /nfs/dbraw/zinc/19/85/02/250198502.db2.gz SDXUYQJCIOUTTO-UHFFFAOYSA-N -1 3 373.365 0.984 10 0 FCAEHM CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)NCc1ncccc1[O-] ZINC000473635485 250242333 /nfs/dbraw/zinc/24/23/33/250242333.db2.gz JRCDTZBWYUTAJB-ZDUSSCGKSA-N -1 3 353.386 0.692 10 0 FCAEHM COc1ccc(C(=O)NCc2ncccc2[O-])cc1S(=O)(=O)N(C)C ZINC000473636927 250242578 /nfs/dbraw/zinc/24/25/78/250242578.db2.gz IJHYRJQRQHWJLT-UHFFFAOYSA-N -1 3 365.411 0.976 10 0 FCAEHM CC(C)[C@@H](O)CNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000269803795 211083003 /nfs/dbraw/zinc/08/30/03/211083003.db2.gz SYEVTJQSQBOVOQ-LBPRGKRZSA-N -1 3 354.425 0.492 10 0 FCAEHM CS(=O)(=O)c1ccc(S(=O)(=O)NCc2ncccc2[O-])cc1F ZINC000480752590 250281951 /nfs/dbraw/zinc/28/19/51/250281951.db2.gz GYUAPSKRKTYZOJ-UHFFFAOYSA-N -1 3 360.388 0.808 10 0 FCAEHM O=C(C[C@@H]1CCCS(=O)(=O)C1)NCCCNC(=O)c1cccc([O-])c1 ZINC000480946066 250300274 /nfs/dbraw/zinc/30/02/74/250300274.db2.gz RAJUFTJJNYOOKH-ZDUSSCGKSA-N -1 3 368.455 0.843 10 0 FCAEHM C[C@H](CC(N)=O)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000482312200 250386990 /nfs/dbraw/zinc/38/69/90/250386990.db2.gz MQQWMOQZUSBAQB-SECBINFHSA-N -1 3 368.390 0.948 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCN(C(=O)OCc2ccccc2)CC1 ZINC000269549485 211007022 /nfs/dbraw/zinc/00/70/22/211007022.db2.gz MLIWBXLVYKJGIP-UHFFFAOYSA-N -1 3 360.370 0.019 10 0 FCAEHM COCCCS(=O)(=O)[N-]CC(=O)Nc1cc(OC)cc(OC)c1C ZINC000500243868 250795840 /nfs/dbraw/zinc/79/58/40/250795840.db2.gz CXFBTEXIIMXKJK-UHFFFAOYSA-N -1 3 360.432 0.907 10 0 FCAEHM CC(C)C(=O)N1CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)CC1 ZINC000056140171 208005427 /nfs/dbraw/zinc/00/54/27/208005427.db2.gz ZPQFABBQJCGIFR-LBPRGKRZSA-N -1 3 373.500 0.742 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000069116821 208031470 /nfs/dbraw/zinc/03/14/70/208031470.db2.gz DJXBIEBZKHSNJY-UHFFFAOYSA-N -1 3 363.443 0.047 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(Cc3ccon3)CC2)c(C)o1 ZINC000081791734 208102344 /nfs/dbraw/zinc/10/23/44/208102344.db2.gz BEFYIUHKJDGZSX-UHFFFAOYSA-N -1 3 368.415 0.442 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCCn3nc(C)nc32)c(C)o1 ZINC000081812615 208102940 /nfs/dbraw/zinc/10/29/40/208102940.db2.gz OXEXKCJEPFVNQB-NSHDSACASA-N -1 3 353.404 0.661 10 0 FCAEHM COC(=O)[C@@H]1CSCCN(C(=O)CNC(=O)c2cccc([O-])c2)C1 ZINC000412968274 533025324 /nfs/dbraw/zinc/02/53/24/533025324.db2.gz OXEMMVKHXQRNCF-LBPRGKRZSA-N -1 3 352.412 0.487 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000088637468 208121116 /nfs/dbraw/zinc/12/11/16/208121116.db2.gz YVKWMPWIGJMQEM-NXEZZACHSA-N -1 3 368.381 0.936 10 0 FCAEHM C[C@@H](CN1CCN(C)CC1)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000106921883 208237223 /nfs/dbraw/zinc/23/72/23/208237223.db2.gz BDKBOLLJXMYXOT-RDJZCZTQSA-N -1 3 374.485 0.749 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCc1nncn1C1CC1 ZINC000110730035 208271892 /nfs/dbraw/zinc/27/18/92/208271892.db2.gz RCSCFEXXZCNJEI-JTQLQIEISA-N -1 3 367.406 0.735 10 0 FCAEHM O=C(NCCCN1CCOCC1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000116950991 208340939 /nfs/dbraw/zinc/34/09/39/208340939.db2.gz WWSXJTSVBJCVJV-MRXNPFEDSA-N -1 3 361.442 0.835 10 0 FCAEHM O=C(CNC(=O)C1[C@@H]2CCCC[C@H]12)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC000177116145 209016625 /nfs/dbraw/zinc/01/66/25/209016625.db2.gz RMXNQAUBQSJANS-XFLKPENQSA-N -1 3 356.382 0.707 10 0 FCAEHM O=C(CNC(=O)C1[C@@H]2CCCC[C@H]12)Nc1cccc2c(=O)[n-][nH]c(=O)c12 ZINC000177116145 209016629 /nfs/dbraw/zinc/01/66/29/209016629.db2.gz RMXNQAUBQSJANS-XFLKPENQSA-N -1 3 356.382 0.707 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@](O)(C(F)(F)F)C2)ccc1F ZINC000177517224 209027899 /nfs/dbraw/zinc/02/78/99/209027899.db2.gz JXPLZCOPZLDYKO-GFCCVEGCSA-N -1 3 370.324 0.873 10 0 FCAEHM CN1CC[C@H](NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)[C@@H]1c1ccccc1 ZINC000180163083 209090327 /nfs/dbraw/zinc/09/03/27/209090327.db2.gz ZOLLWRLKTFNHPA-GJZGRUSLSA-N -1 3 365.393 0.787 10 0 FCAEHM COC(=O)[C@H]1CSCCN(C(=O)NCc2nnc(C(F)(F)F)[n-]2)C1 ZINC000413457773 533503134 /nfs/dbraw/zinc/50/31/34/533503134.db2.gz LPTZHARVJMVZQN-SSDOTTSWSA-N -1 3 367.353 0.871 10 0 FCAEHM COC(=O)[C@H]1CSCCN(C(=O)NCc2n[n-]c(C(F)(F)F)n2)C1 ZINC000413457773 533503139 /nfs/dbraw/zinc/50/31/39/533503139.db2.gz LPTZHARVJMVZQN-SSDOTTSWSA-N -1 3 367.353 0.871 10 0 FCAEHM COC(=O)[C@H]1CSCCN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC000413457773 533503142 /nfs/dbraw/zinc/50/31/42/533503142.db2.gz LPTZHARVJMVZQN-SSDOTTSWSA-N -1 3 367.353 0.871 10 0 FCAEHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCO[C@@H]([C@H](C)O)C1 ZINC000411951420 533679331 /nfs/dbraw/zinc/67/93/31/533679331.db2.gz OWSPYMUOSVEVML-VHSXEESVSA-N -1 3 356.400 0.390 10 0 FCAEHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCO[C@H]([C@H](C)O)C1 ZINC000411951419 533679703 /nfs/dbraw/zinc/67/97/03/533679703.db2.gz OWSPYMUOSVEVML-UWVGGRQHSA-N -1 3 356.400 0.390 10 0 FCAEHM COCc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1cc(Cl)cnc1N ZINC000097020805 222151840 /nfs/dbraw/zinc/15/18/40/222151840.db2.gz ADVWELFHJGMYHG-VIFPVBQESA-N -1 3 372.838 0.869 10 0 FCAEHM CC(C)Cc1nnc(N2C(=O)C[C@H](SC[C@@H](N)C(=O)[O-])C2=O)s1 ZINC000102206705 222292730 /nfs/dbraw/zinc/29/27/30/222292730.db2.gz SFLFYUHUFOSDCV-SFYZADRCSA-N -1 3 358.445 0.514 10 0 FCAEHM CCOC(=O)c1ccc(N2C(=O)C[C@H](SC[C@H](N)C(=O)[O-])C2=O)cc1 ZINC000102309691 222293475 /nfs/dbraw/zinc/29/34/75/222293475.db2.gz LNGUHBHQYDUDEL-RYUDHWBXSA-N -1 3 366.395 0.640 10 0 FCAEHM COC(=O)c1ccccc1N1C(=O)C[C@H](SC[C@@H](N)C(=O)[O-])C1=O ZINC000102309646 222293986 /nfs/dbraw/zinc/29/39/86/222293986.db2.gz PAMDNOZBTVPTAL-KOLCDFICSA-N -1 3 352.368 0.250 10 0 FCAEHM O=C([N-]c1cnns1)C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000192050484 229264614 /nfs/dbraw/zinc/26/46/14/229264614.db2.gz HBNAWGOZOQUXCP-QMMMGPOBSA-N -1 3 352.807 0.920 10 0 FCAEHM C[C@H]1CCCN(c2cc(N3CCO[C@H](CN(C)CC(=O)[O-])C3)ncn2)C1 ZINC000262087983 229297742 /nfs/dbraw/zinc/29/77/42/229297742.db2.gz GNUZOVAZPAWMED-LSDHHAIUSA-N -1 3 363.462 0.935 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)c1nc([C@H]2CNCCN2C)no1 ZINC000263239827 229317854 /nfs/dbraw/zinc/31/78/54/229317854.db2.gz OKIPFENYIZLCFF-CMPLNLGQSA-N -1 3 369.422 0.824 10 0 FCAEHM C[C@]1(c2ccc(CNC(=O)[C@@]3(C)CCC(=O)NC3)cc2)NC(=O)[N-]C1=O ZINC000409633891 230035453 /nfs/dbraw/zinc/03/54/53/230035453.db2.gz ZOFMGFZWVVUEHP-ZWKOTPCHSA-N -1 3 358.398 0.274 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000409786190 230044996 /nfs/dbraw/zinc/04/49/96/230044996.db2.gz AGAFSZGTHHKJSO-GHMZBOCLSA-N -1 3 351.450 0.288 10 0 FCAEHM COc1ccsc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000409793003 230046107 /nfs/dbraw/zinc/04/61/07/230046107.db2.gz MTNQDOLAXHTKSE-NXEZZACHSA-N -1 3 368.502 0.753 10 0 FCAEHM CCn1cc(S(=O)(=O)[N-][C@H]2CCC[C@H]2CNS(C)(=O)=O)nc1C ZINC000409810336 230046516 /nfs/dbraw/zinc/04/65/16/230046516.db2.gz HTOPULGFNPXFEJ-RYUDHWBXSA-N -1 3 364.493 0.208 10 0 FCAEHM COC(=O)[C@@H](CF)[N-]S(=O)(=O)c1cnn(-c2ccccc2OC)c1 ZINC000287480418 488873128 /nfs/dbraw/zinc/87/31/28/488873128.db2.gz QIRCNZPJLQQELW-LLVKDONJSA-N -1 3 357.363 0.670 10 0 FCAEHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CF)C(=O)OC)c1 ZINC000287589337 488885106 /nfs/dbraw/zinc/88/51/06/488885106.db2.gz XYENLAKNSSPYFA-VIFPVBQESA-N -1 3 353.755 0.916 10 0 FCAEHM O=C1[N-]C(=O)[C@@]2(CCCN(c3cc(-c4ccccc4)nc4ncnn43)C2)N1 ZINC000302855168 488891880 /nfs/dbraw/zinc/89/18/80/488891880.db2.gz KXLGBDSBJRJTGL-SFHVURJKSA-N -1 3 363.381 0.970 10 0 FCAEHM CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)CN2CC(=O)[N-]C2=O)CC1 ZINC000364010803 488912952 /nfs/dbraw/zinc/91/29/52/488912952.db2.gz ABLAWWWETKEPRX-LLVKDONJSA-N -1 3 354.407 0.444 10 0 FCAEHM CCc1nc(NC(=O)CN2CCC[C@@]3(C2)NC(=O)[N-]C3=O)sc1C ZINC000279118256 488918300 /nfs/dbraw/zinc/91/83/00/488918300.db2.gz UKSLTJYIPCPJEL-HNNXBMFYSA-N -1 3 351.432 0.626 10 0 FCAEHM O=C1[N-]C(=O)[C@]2(CCCN(Cc3ccc(S(=O)(=O)C(F)F)cc3)C2)N1 ZINC000279137166 488919475 /nfs/dbraw/zinc/91/94/75/488919475.db2.gz WZBYKZFPZHCJQP-OAHLLOKOSA-N -1 3 373.381 0.857 10 0 FCAEHM COc1cc(C)c(S(=O)(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c(C)c1 ZINC000327389997 488919547 /nfs/dbraw/zinc/91/95/47/488919547.db2.gz RHFCBIPZKUWNJA-INIZCTEOSA-N -1 3 367.427 0.675 10 0 FCAEHM CCOC(=O)c1cnc(NC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)n1C ZINC000288069260 488939876 /nfs/dbraw/zinc/93/98/76/488939876.db2.gz UGNSVSIIFCBOAK-JTQLQIEISA-N -1 3 360.436 0.499 10 0 FCAEHM COC(=O)[C@]1([N-]S(=O)(=O)c2cccnc2C(F)(F)F)CCOC1 ZINC000288098869 488943444 /nfs/dbraw/zinc/94/34/44/488943444.db2.gz KVKSCRNKBREBDZ-NSHDSACASA-N -1 3 354.306 0.711 10 0 FCAEHM CCOc1ccccc1C(=O)NCC(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279451929 488943740 /nfs/dbraw/zinc/94/37/40/488943740.db2.gz KPJKEAUQLLNRMK-SFHVURJKSA-N -1 3 374.397 0.016 10 0 FCAEHM C[C@@]1(C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)Cc2ccccc2C(=O)O1 ZINC000279513432 488948735 /nfs/dbraw/zinc/94/87/35/488948735.db2.gz OXDSPVFKNOQPIZ-ROUUACIJSA-N -1 3 357.366 0.359 10 0 FCAEHM CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279512999 488948827 /nfs/dbraw/zinc/94/88/27/488948827.db2.gz OUZWISMCACTGTK-MRXNPFEDSA-N -1 3 354.407 0.490 10 0 FCAEHM CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279512995 488949053 /nfs/dbraw/zinc/94/90/53/488949053.db2.gz OUZWISMCACTGTK-INIZCTEOSA-N -1 3 354.407 0.490 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000328910871 488949815 /nfs/dbraw/zinc/94/98/15/488949815.db2.gz FXALAPSMAUVEJN-AVGNSLFASA-N -1 3 373.500 0.346 10 0 FCAEHM O=C(c1ccccc1)N1CSC[C@@H]1C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000328960254 488955643 /nfs/dbraw/zinc/95/56/43/488955643.db2.gz PLFVVUIXGADIIL-QWHCGFSZSA-N -1 3 374.422 0.805 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)NCC(=O)NCc1ccco1 ZINC000032724939 487781912 /nfs/dbraw/zinc/78/19/12/487781912.db2.gz BNDYOCOHYVHGOF-UHFFFAOYSA-N -1 3 357.413 0.052 10 0 FCAEHM CCn1c(=O)[n-]c(=O)c2c(C(=O)NCc3ccnn3C)cc(C3CC3)nc21 ZINC000047458465 488030198 /nfs/dbraw/zinc/03/01/98/488030198.db2.gz IVFFFZNLYPLJOB-UHFFFAOYSA-N -1 3 368.397 0.646 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCc1cc2c(c(Br)c1)OCO2 ZINC000068126355 488361024 /nfs/dbraw/zinc/36/10/24/488361024.db2.gz AOEAQVCMSGFJBA-QMMMGPOBSA-N -1 3 370.159 0.392 10 0 FCAEHM CCS(=O)(=O)CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000068220563 488362414 /nfs/dbraw/zinc/36/24/14/488362414.db2.gz KMSABMHIAMPWEG-JTQLQIEISA-N -1 3 366.436 0.043 10 0 FCAEHM CC[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000068277541 488363097 /nfs/dbraw/zinc/36/30/97/488363097.db2.gz OPKUFTCGVADOFU-SRVKXCTJSA-N -1 3 373.450 0.912 10 0 FCAEHM Cc1nc(C)c(CCC(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)c(=O)[n-]1 ZINC000068440347 488365312 /nfs/dbraw/zinc/36/53/12/488365312.db2.gz QMWJBQFIJRGGAO-AWEZNQCLSA-N -1 3 374.416 0.919 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCOC[C@H]1CCOC1 ZINC000068537006 488367438 /nfs/dbraw/zinc/36/74/38/488367438.db2.gz FJSXEWCRCNGTTO-STQMWFEESA-N -1 3 374.434 0.662 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-][C@@H]2CCN(c3ccccc3)C2=O)C[C@@H](C)O1 ZINC000068941711 488370092 /nfs/dbraw/zinc/37/00/92/488370092.db2.gz RVZOUBDYADZFQW-UMVBOHGHSA-N -1 3 353.444 0.736 10 0 FCAEHM Cn1ccnc1CN1CCC[C@H](NC(=O)c2cc(=O)[n-]c(C3CC3)n2)C1=O ZINC000569823779 491195398 /nfs/dbraw/zinc/19/53/98/491195398.db2.gz OAUPCBRFOGJJJU-LBPRGKRZSA-N -1 3 370.413 0.714 10 0 FCAEHM COC(=O)CCCC[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000268395695 488414370 /nfs/dbraw/zinc/41/43/70/488414370.db2.gz NWCXASVKQKUQAJ-UHFFFAOYSA-N -1 3 367.420 0.851 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)C(=O)N(C)C)c1 ZINC000080752333 488437232 /nfs/dbraw/zinc/43/72/32/488437232.db2.gz DFNDNVAJNCYOOX-AWEZNQCLSA-N -1 3 350.444 0.881 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)Cn2cnc(-c3ccccc3)n2)nc1=N ZINC000562901802 491199999 /nfs/dbraw/zinc/19/99/99/491199999.db2.gz RGUURNTXFSDAIF-CYBMUJFWSA-N -1 3 352.402 0.850 10 0 FCAEHM Cc1nc2n(n1)CCC[C@H]2NC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000269237442 488481314 /nfs/dbraw/zinc/48/13/14/488481314.db2.gz HBHUWPHBINIEOK-FZKQIMNGSA-N -1 3 368.397 0.906 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@@H]2CCCN(c3ncccn3)C2)nc1Cl ZINC000269296965 488488463 /nfs/dbraw/zinc/48/84/63/488488463.db2.gz PZJHHTYVDFHQCK-SNVBAGLBSA-N -1 3 356.839 0.811 10 0 FCAEHM CCN(CC(=O)OC)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000269321635 488491490 /nfs/dbraw/zinc/49/14/90/488491490.db2.gz JIVMMHDQDGKJDV-UHFFFAOYSA-N -1 3 368.408 0.381 10 0 FCAEHM Cn1nccc1CNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000269379764 488497371 /nfs/dbraw/zinc/49/73/71/488497371.db2.gz UVRDCJDMZFFZTM-UHFFFAOYSA-N -1 3 362.408 0.409 10 0 FCAEHM Nc1nc([C@H]2C[C@@H](NC(=O)c3n[nH]c(=O)c4ccccc43)C2)cc(=O)[n-]1 ZINC000253535017 488521132 /nfs/dbraw/zinc/52/11/32/488521132.db2.gz DJENOWJWNPTMBB-DTORHVGOSA-N -1 3 352.354 0.677 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000114858208 488542268 /nfs/dbraw/zinc/54/22/68/488542268.db2.gz YEPLXSHBSSOGOA-CQSZACIVSA-N -1 3 372.425 0.059 10 0 FCAEHM CNS(=O)(=O)c1ccc(C[N-]S(=O)(=O)C[C@@H](OC)C2CC2)s1 ZINC000563051677 491210595 /nfs/dbraw/zinc/21/05/95/491210595.db2.gz GMGWGEQCEYHZSN-LLVKDONJSA-N -1 3 368.502 0.501 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNS(=O)(=O)C[C@@H](OC)C2CC2)s1 ZINC000563051677 491210597 /nfs/dbraw/zinc/21/05/97/491210597.db2.gz GMGWGEQCEYHZSN-LLVKDONJSA-N -1 3 368.502 0.501 10 0 FCAEHM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)C1 ZINC000272560989 488589289 /nfs/dbraw/zinc/58/92/89/488589289.db2.gz UIEHJRUODZPZSV-MXWKQRLJSA-N -1 3 354.407 0.346 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]C[C@H]2CS(=O)(=O)c3ccccc3O2)c1 ZINC000563058931 491211000 /nfs/dbraw/zinc/21/10/00/491211000.db2.gz OVXHMPQWCHYASR-NSHDSACASA-N -1 3 371.440 0.416 10 0 FCAEHM O=C(Cn1c(=O)[nH]c2ccccc2c1=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000125272826 488599397 /nfs/dbraw/zinc/59/93/97/488599397.db2.gz HXFXAKFDLMFFDU-UHFFFAOYSA-N -1 3 363.337 0.509 10 0 FCAEHM O=C(Cn1c(=O)[nH]c2ccccc2c1=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000125272826 488599399 /nfs/dbraw/zinc/59/93/99/488599399.db2.gz HXFXAKFDLMFFDU-UHFFFAOYSA-N -1 3 363.337 0.509 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)N1CCN(C2CC2)CC1 ZINC000125573484 488602496 /nfs/dbraw/zinc/60/24/96/488602496.db2.gz ZKPVTHGUQWJPCK-UHFFFAOYSA-N -1 3 358.489 0.516 10 0 FCAEHM O=C(CCNC(=O)c1cccc([O-])c1)N1CCN(c2ncccn2)CC1 ZINC000272769947 488604260 /nfs/dbraw/zinc/60/42/60/488604260.db2.gz MQICFZIUTCEFCN-UHFFFAOYSA-N -1 3 355.398 0.651 10 0 FCAEHM C[C@]1(c2ccc(CNC(=O)[C@H]3CC(F)(F)CN3)cc2)NC(=O)[N-]C1=O ZINC000263223666 488606664 /nfs/dbraw/zinc/60/66/64/488606664.db2.gz MLJYZZCTQCBNDI-IAQYHMDHSA-N -1 3 352.341 0.355 10 0 FCAEHM CCCN(CCc1ccccn1)C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000129654378 488632912 /nfs/dbraw/zinc/63/29/12/488632912.db2.gz IIPVGWVAEXCREQ-UHFFFAOYSA-N -1 3 365.459 0.575 10 0 FCAEHM O=C1OCCN1CCC[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000264016263 488642847 /nfs/dbraw/zinc/64/28/47/488642847.db2.gz URJDCVQGNHJVQF-UHFFFAOYSA-N -1 3 364.221 0.965 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000133075544 488657225 /nfs/dbraw/zinc/65/72/25/488657225.db2.gz NUPFTCBKPAPLOX-WDEREUQCSA-N -1 3 357.414 0.913 10 0 FCAEHM CNS(=O)(=O)c1ccc(C[N-]S(=O)(=O)C[C@H](OC)C2CC2)s1 ZINC000563051682 491210428 /nfs/dbraw/zinc/21/04/28/491210428.db2.gz GMGWGEQCEYHZSN-NSHDSACASA-N -1 3 368.502 0.501 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNS(=O)(=O)C[C@H](OC)C2CC2)s1 ZINC000563051682 491210429 /nfs/dbraw/zinc/21/04/29/491210429.db2.gz GMGWGEQCEYHZSN-NSHDSACASA-N -1 3 368.502 0.501 10 0 FCAEHM CC(=O)c1cnc(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)s1 ZINC000135437355 488673108 /nfs/dbraw/zinc/67/31/08/488673108.db2.gz IKADZLHHNWFYPK-UHFFFAOYSA-N -1 3 373.188 0.597 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N1CCN(CC(F)F)CC1 ZINC000148315695 488697088 /nfs/dbraw/zinc/69/70/88/488697088.db2.gz PDKKWPRZEQEEGQ-UHFFFAOYSA-N -1 3 366.368 0.489 10 0 FCAEHM C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)CN2CC(=O)[N-]C2=O)CC1 ZINC000264735176 488704634 /nfs/dbraw/zinc/70/46/34/488704634.db2.gz FTHQYJQLBBNWEQ-NSHDSACASA-N -1 3 366.368 0.722 10 0 FCAEHM C[C@@H]1CN(Cc2csc(NC(=O)CN3CC(=O)[N-]C3=O)n2)C[C@H](C)O1 ZINC000264810290 488714871 /nfs/dbraw/zinc/71/48/71/488714871.db2.gz ZVOVEOOVMUBZIU-AOOOYVTPSA-N -1 3 367.431 0.243 10 0 FCAEHM COc1ccc(Cl)cc1N1CC[C@H](NC(=O)CN2CC(=O)[N-]C2=O)C1 ZINC000264835867 488717545 /nfs/dbraw/zinc/71/75/45/488717545.db2.gz JYNVXIUSVDABTK-NSHDSACASA-N -1 3 366.805 0.595 10 0 FCAEHM COC(=O)[C@@H](NC(=O)CN1CC(=O)[N-]C1=O)c1ccc(OC)c(Cl)c1 ZINC000274631993 488724036 /nfs/dbraw/zinc/72/40/36/488724036.db2.gz SLCCAVQXKGWJED-ZDUSSCGKSA-N -1 3 369.761 0.231 10 0 FCAEHM CCOC(=O)[C@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1ccc(OC)c(F)c1 ZINC000274713003 488729315 /nfs/dbraw/zinc/72/93/15/488729315.db2.gz AVRQFHKRLRLMTI-GXFFZTMASA-N -1 3 367.333 0.153 10 0 FCAEHM O=C(Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1)N1CCN(C2CC2)CC1 ZINC000274900109 488741792 /nfs/dbraw/zinc/74/17/92/488741792.db2.gz SHIROFOBGDYKCZ-OAHLLOKOSA-N -1 3 357.414 0.749 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC000274903904 488742530 /nfs/dbraw/zinc/74/25/30/488742530.db2.gz VRGFVINWBNIVDG-ZDUSSCGKSA-N -1 3 356.382 0.912 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000154671041 488745869 /nfs/dbraw/zinc/74/58/69/488745869.db2.gz CITYEFJRFBAMTM-AWEZNQCLSA-N -1 3 366.368 0.644 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000154944789 488748656 /nfs/dbraw/zinc/74/86/56/488748656.db2.gz KYXALTWNRHMYKG-HZMBPMFUSA-N -1 3 366.368 0.644 10 0 FCAEHM C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000275153930 488766706 /nfs/dbraw/zinc/76/67/06/488766706.db2.gz UEBVPHXIIFLDAB-OUAUKWLOSA-N -1 3 354.407 0.346 10 0 FCAEHM C[C@@]1(c2ccc(C(=O)NCCCN3CCCC3=O)cc2)NC(=O)[N-]C1=O ZINC000267271352 488773402 /nfs/dbraw/zinc/77/34/02/488773402.db2.gz SMLWCJIQAFOERR-SFHVURJKSA-N -1 3 358.398 0.484 10 0 FCAEHM O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)C1CC2(C1)NC(=O)[N-]C2=O ZINC000158567977 488778996 /nfs/dbraw/zinc/77/89/96/488778996.db2.gz WKYJIFPTOCCAEY-NOBQPIJMSA-N -1 3 360.389 0.899 10 0 FCAEHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H]2CNCCC2(F)F)s1 ZINC000563130086 491218935 /nfs/dbraw/zinc/21/89/35/491218935.db2.gz QSCREEQBJGBTMZ-VIFPVBQESA-N -1 3 370.399 0.819 10 0 FCAEHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N1CC(CO)C1 ZINC000166401827 488811774 /nfs/dbraw/zinc/81/17/74/488811774.db2.gz MRSSSBNSIGQCIN-UHFFFAOYSA-N -1 3 355.350 0.645 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCN(CCOC)CC2)ccc1F ZINC000267709165 488814091 /nfs/dbraw/zinc/81/40/91/488814091.db2.gz HXACPHMNDFSOFQ-UHFFFAOYSA-N -1 3 373.450 0.528 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000172213485 488831432 /nfs/dbraw/zinc/83/14/32/488831432.db2.gz XRLPEIGAKJLHNC-CMPLNLGQSA-N -1 3 366.418 0.889 10 0 FCAEHM COC(=O)[C@]1([N-]S(=O)(=O)c2cc(OC)c(OC)cc2F)CCOC1 ZINC000268079353 488838355 /nfs/dbraw/zinc/83/83/55/488838355.db2.gz UYVHPDBCPRQYCO-AWEZNQCLSA-N -1 3 363.363 0.453 10 0 FCAEHM Cc1cc(N2CCC[C@@H]([N-]S(=O)(=O)N3CCC[C@H](C)C3)C2=O)n(C)n1 ZINC000174040777 488847330 /nfs/dbraw/zinc/84/73/30/488847330.db2.gz ATWPQLDHDOWPDU-GXTWGEPZSA-N -1 3 369.491 0.790 10 0 FCAEHM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000174314965 488848623 /nfs/dbraw/zinc/84/86/23/488848623.db2.gz UDRPFFYWPPEXJO-VXGBXAGGSA-N -1 3 361.446 0.095 10 0 FCAEHM CCc1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1cn(CC(C)C)cn1)CC2 ZINC000175017335 488852691 /nfs/dbraw/zinc/85/26/91/488852691.db2.gz RNFYETAXVQTEOZ-GFCCVEGCSA-N -1 3 352.464 0.986 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](Cn3cncn3)C2)c(C)o1 ZINC000176116545 488857500 /nfs/dbraw/zinc/85/75/00/488857500.db2.gz BHTUQHZCISOEEP-GFCCVEGCSA-N -1 3 367.431 0.640 10 0 FCAEHM COC(=O)C(C)(C)CS(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)N(C)C ZINC000288507866 488987649 /nfs/dbraw/zinc/98/76/49/488987649.db2.gz ZWOFCVGDVGWOED-CQSZACIVSA-N -1 3 370.471 0.805 10 0 FCAEHM COC(=O)c1nc([C@H]2CCCN2C(=O)CN2CC(=O)[N-]C2=O)sc1C ZINC000280212278 488990739 /nfs/dbraw/zinc/99/07/39/488990739.db2.gz WRRSTYNFDDRMFX-SECBINFHSA-N -1 3 366.399 0.453 10 0 FCAEHM C[C@@]1(NC(=O)CN2CC(=O)[N-]C2=O)CCN(C(=O)OCc2ccccc2)C1 ZINC000280257846 488992927 /nfs/dbraw/zinc/99/29/27/488992927.db2.gz PXZXKQZWJDPBSP-GOSISDBHSA-N -1 3 374.397 0.456 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCCCCn1cc(Br)cn1 ZINC000280265375 488993808 /nfs/dbraw/zinc/99/38/08/488993808.db2.gz ZGXCQHNLRPADFK-VIFPVBQESA-N -1 3 358.196 0.140 10 0 FCAEHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC000288582829 488993973 /nfs/dbraw/zinc/99/39/73/488993973.db2.gz YJKMAKFMOMNWTF-INIZCTEOSA-N -1 3 365.411 0.520 10 0 FCAEHM C[C@@]1(c2cccc(-c3noc(CN4CCOCC4=O)n3)c2)NC(=O)[N-]C1=O ZINC000288952198 489031782 /nfs/dbraw/zinc/03/17/82/489031782.db2.gz PFSPTKAGDPRUCM-KRWDZBQOSA-N -1 3 371.353 0.150 10 0 FCAEHM COC(=O)[C@@H](O)C(C)(C)[N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000365074751 489035347 /nfs/dbraw/zinc/03/53/47/489035347.db2.gz WSYLXWCEZNUSFP-IETSOEAISA-N -1 3 361.460 0.614 10 0 FCAEHM C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)CC[C@H]1NC(=O)[N-]C1=O ZINC000289120858 489043608 /nfs/dbraw/zinc/04/36/08/489043608.db2.gz FOPKGVMTFFLDAH-GARJFASQSA-N -1 3 354.407 0.489 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]CC1(S(C)(=O)=O)CC1 ZINC000289714246 489088686 /nfs/dbraw/zinc/08/86/86/489088686.db2.gz FLGZAESHLBDZJQ-UHFFFAOYSA-N -1 3 365.429 0.539 10 0 FCAEHM CN(C)c1noc(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])n1 ZINC000365560932 489087604 /nfs/dbraw/zinc/08/76/04/489087604.db2.gz CTUVEJTZCVMSBF-GFCCVEGCSA-N -1 3 359.386 0.762 10 0 FCAEHM COCC[C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C(=O)OC ZINC000289773266 489092171 /nfs/dbraw/zinc/09/21/71/489092171.db2.gz GPHZLOQACQWFRD-MRVPVSSYSA-N -1 3 356.322 0.957 10 0 FCAEHM CS(=O)(=O)CCS(=O)(=O)[N-][C@@H]1CCCN(c2ccccc2)C1=O ZINC000365612560 489092683 /nfs/dbraw/zinc/09/26/83/489092683.db2.gz SIRSJPCBXKPQRA-CYBMUJFWSA-N -1 3 360.457 0.146 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NCc1ccc(Cl)cn1 ZINC000290285817 489127942 /nfs/dbraw/zinc/12/79/42/489127942.db2.gz DQEFFANAPBHNPC-UHFFFAOYSA-N -1 3 358.807 0.935 10 0 FCAEHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)[C@@H]1OC[C@H]2COCC[C@@H]21 ZINC000366016687 489134857 /nfs/dbraw/zinc/13/48/57/489134857.db2.gz IUNJDBHSBSGAIR-VYUIOLGVSA-N -1 3 352.343 0.578 10 0 FCAEHM CC(C)Oc1ccc([C@@H](CNC(=O)C[C@@H]2NC(=O)[N-]C2=O)N(C)C)cc1 ZINC000290466139 489142651 /nfs/dbraw/zinc/14/26/51/489142651.db2.gz LPHRMXDZXULBGA-LSDHHAIUSA-N -1 3 362.430 0.791 10 0 FCAEHM COC(=O)CCS(=O)(=O)[N-]c1cc(C)ccc1NS(C)(=O)=O ZINC000290564404 489149579 /nfs/dbraw/zinc/14/95/79/489149579.db2.gz SLBIFNFWAWHHBP-UHFFFAOYSA-N -1 3 350.418 0.671 10 0 FCAEHM COC(=O)[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000282296939 489152285 /nfs/dbraw/zinc/15/22/85/489152285.db2.gz LNHYXTLSEKGRJL-MRVPVSSYSA-N -1 3 372.624 0.915 10 0 FCAEHM CCNC(=O)N1CC[C@H](NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000366171550 489154891 /nfs/dbraw/zinc/15/48/91/489154891.db2.gz NFRPBFYVSVXUGB-DZGCQCFKSA-N -1 3 374.441 0.917 10 0 FCAEHM CN(C)S(=O)(=O)N1CCCN(C(=O)/C=C/c2cncc([O-])c2)CC1 ZINC000366372195 489174697 /nfs/dbraw/zinc/17/46/97/489174697.db2.gz UABWLUMMBWQNDN-SNAWJCMRSA-N -1 3 354.432 0.141 10 0 FCAEHM CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000366420441 489179487 /nfs/dbraw/zinc/17/94/87/489179487.db2.gz NKELREPZYGTVKM-GUBZILKMSA-N -1 3 358.370 0.048 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@H](CO)CC(C)C ZINC000282648333 489181065 /nfs/dbraw/zinc/18/10/65/489181065.db2.gz UNTSCFKJZTZRNZ-LBPRGKRZSA-N -1 3 364.489 0.622 10 0 FCAEHM CC(C)(C)OC(=O)N1CC2(C1)CN(c1nc3nncc-3c(O)[n-]1)CCO2 ZINC000292911844 489181395 /nfs/dbraw/zinc/18/13/95/489181395.db2.gz CJXORUGZKIUNGL-UHFFFAOYSA-N -1 3 362.390 0.885 10 0 FCAEHM O=C(CCN1C(=O)c2ccccc2C1=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282852199 489194503 /nfs/dbraw/zinc/19/45/03/489194503.db2.gz GJGOYWPEBXWSFY-NSHDSACASA-N -1 3 369.381 0.490 10 0 FCAEHM CCOC(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)C1 ZINC000282871836 489196590 /nfs/dbraw/zinc/19/65/90/489196590.db2.gz IPDZVNPMDPVZHO-VXGBXAGGSA-N -1 3 351.407 0.673 10 0 FCAEHM Cn1cnc(-c2ccc(C(=O)Nc3[n-]nnc3C(=O)NC3CC3)cc2)n1 ZINC000297632376 489216304 /nfs/dbraw/zinc/21/63/04/489216304.db2.gz CKLPBGOKTHKOFC-UHFFFAOYSA-N -1 3 352.358 0.745 10 0 FCAEHM Cn1cnc(-c2ccc(C(=O)Nc3nn[n-]c3C(=O)NC3CC3)cc2)n1 ZINC000297632376 489216306 /nfs/dbraw/zinc/21/63/06/489216306.db2.gz CKLPBGOKTHKOFC-UHFFFAOYSA-N -1 3 352.358 0.745 10 0 FCAEHM Cn1cnc(-c2ccc(C(=O)Nc3n[n-]nc3C(=O)NC3CC3)cc2)n1 ZINC000297632376 489216307 /nfs/dbraw/zinc/21/63/07/489216307.db2.gz CKLPBGOKTHKOFC-UHFFFAOYSA-N -1 3 352.358 0.745 10 0 FCAEHM COCCCOc1ccc(C(=O)Nc2[n-]nnc2C(=O)NC2CC2)cn1 ZINC000297638598 489217220 /nfs/dbraw/zinc/21/72/20/489217220.db2.gz CYUAYQNHZLARJE-UHFFFAOYSA-N -1 3 360.374 0.760 10 0 FCAEHM COCCCOc1ccc(C(=O)Nc2nn[n-]c2C(=O)NC2CC2)cn1 ZINC000297638598 489217223 /nfs/dbraw/zinc/21/72/23/489217223.db2.gz CYUAYQNHZLARJE-UHFFFAOYSA-N -1 3 360.374 0.760 10 0 FCAEHM COCCCOc1ccc(C(=O)Nc2n[n-]nc2C(=O)NC2CC2)cn1 ZINC000297638598 489217227 /nfs/dbraw/zinc/21/72/27/489217227.db2.gz CYUAYQNHZLARJE-UHFFFAOYSA-N -1 3 360.374 0.760 10 0 FCAEHM O=C(NC1CC1)c1nn[n-]c1NC(=O)c1ccc(OCC(F)F)nc1 ZINC000297700349 489226073 /nfs/dbraw/zinc/22/60/73/489226073.db2.gz JRYUANHVYFBCTK-UHFFFAOYSA-N -1 3 352.301 0.988 10 0 FCAEHM O=C(NC1CC1)c1[n-]nnc1NC(=O)c1ccc(OCC(F)F)nc1 ZINC000297700349 489226076 /nfs/dbraw/zinc/22/60/76/489226076.db2.gz JRYUANHVYFBCTK-UHFFFAOYSA-N -1 3 352.301 0.988 10 0 FCAEHM O=C(NC1CC1)c1n[n-]nc1NC(=O)c1ccc(OCC(F)F)nc1 ZINC000297700349 489226079 /nfs/dbraw/zinc/22/60/79/489226079.db2.gz JRYUANHVYFBCTK-UHFFFAOYSA-N -1 3 352.301 0.988 10 0 FCAEHM COc1cc(C(=O)Nc2[n-]nnc2C(=O)NC2CC2)cc(OC)c1OC ZINC000297741581 489233361 /nfs/dbraw/zinc/23/33/61/489233361.db2.gz NGTFAYBPCFCJCZ-UHFFFAOYSA-N -1 3 361.358 0.975 10 0 FCAEHM COc1cc(C(=O)Nc2nn[n-]c2C(=O)NC2CC2)cc(OC)c1OC ZINC000297741581 489233365 /nfs/dbraw/zinc/23/33/65/489233365.db2.gz NGTFAYBPCFCJCZ-UHFFFAOYSA-N -1 3 361.358 0.975 10 0 FCAEHM COc1cc(C(=O)Nc2n[n-]nc2C(=O)NC2CC2)cc(OC)c1OC ZINC000297741581 489233368 /nfs/dbraw/zinc/23/33/68/489233368.db2.gz NGTFAYBPCFCJCZ-UHFFFAOYSA-N -1 3 361.358 0.975 10 0 FCAEHM CN(C)c1nc(C(=O)Nc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)cc(=O)[n-]1 ZINC000555233667 491242518 /nfs/dbraw/zinc/24/25/18/491242518.db2.gz DETSIJOQFOQJKG-QGZVFWFLSA-N -1 3 370.369 0.555 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)N1CCO[C@H](C2CC2)C1 ZINC000369962619 489297846 /nfs/dbraw/zinc/29/78/46/489297846.db2.gz OCDKLOVWYMEVRC-LBPRGKRZSA-N -1 3 359.473 0.847 10 0 FCAEHM Cc1n[nH]cc1[N-]S(=O)(=O)CCCS(=O)(=O)N1C[C@@H](C)[C@@H]1C ZINC000349486484 489298053 /nfs/dbraw/zinc/29/80/53/489298053.db2.gz VSJRICXEQTYDNE-KOLCDFICSA-N -1 3 350.466 0.520 10 0 FCAEHM O=S(=O)(CCCS(=O)(=O)N1CCC12CCCC2)[N-]c1cn[nH]c1 ZINC000349501744 489301561 /nfs/dbraw/zinc/30/15/61/489301561.db2.gz MZXIXNMYAKIEFL-UHFFFAOYSA-N -1 3 362.477 0.890 10 0 FCAEHM CC1(C)OCC[C@@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1cn[nH]c1 ZINC000349536204 489310170 /nfs/dbraw/zinc/31/01/70/489310170.db2.gz NAXRLQNVQFBKCT-NSHDSACASA-N -1 3 366.465 0.028 10 0 FCAEHM O=S(=O)(CCCCS(=O)(=O)N[C@@H]1CCCOC1)[N-]c1cn[nH]c1 ZINC000349563486 489316077 /nfs/dbraw/zinc/31/60/77/489316077.db2.gz IHUFVQLCDGESDE-LLVKDONJSA-N -1 3 366.465 0.030 10 0 FCAEHM COC(=O)CCCCCNC(=O)C[N-]S(=O)(=O)c1ccccc1F ZINC000298323840 489316905 /nfs/dbraw/zinc/31/69/05/489316905.db2.gz UUUWRFXEFDVYQG-UHFFFAOYSA-N -1 3 360.407 0.954 10 0 FCAEHM COC(=O)CCS(=O)(=O)[N-]c1cccc(-n2nnnc2SC)c1 ZINC000298331296 489317582 /nfs/dbraw/zinc/31/75/82/489317582.db2.gz GMJHSJBQQOVFKA-UHFFFAOYSA-N -1 3 357.417 0.689 10 0 FCAEHM CC[C@@](C)(NC(=O)c1ccccc1)c1noc(C[C@@H]2NC(=O)[N-]C2=O)n1 ZINC000350363199 489338391 /nfs/dbraw/zinc/33/83/91/489338391.db2.gz IADXBYHVTDAAOG-APPDUMDISA-N -1 3 357.370 0.875 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCc2nc(-c3cncs3)no2)cn1C ZINC000350910162 489351876 /nfs/dbraw/zinc/35/18/76/489351876.db2.gz ZMPXUVJZZDWONP-UHFFFAOYSA-N -1 3 354.417 0.756 10 0 FCAEHM Cc1cc(C)n(-c2ccc(-c3noc(CN4CC(=O)[N-]C4=O)n3)nc2)n1 ZINC000351337451 489355185 /nfs/dbraw/zinc/35/51/85/489355185.db2.gz VBOMXXZPJNNVLG-UHFFFAOYSA-N -1 3 353.342 0.986 10 0 FCAEHM O=C1CN(Cc2nc(Cc3ncsc3Br)no2)C(=O)[N-]1 ZINC000351386370 489355718 /nfs/dbraw/zinc/35/57/18/489355718.db2.gz NDDDQUGZVMWWDA-UHFFFAOYSA-N -1 3 358.177 0.931 10 0 FCAEHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H](S(=O)(=O)N(C)C)C2)c1 ZINC000286393035 489387335 /nfs/dbraw/zinc/38/73/35/489387335.db2.gz QVKPPDVVOJEIKV-ZDUSSCGKSA-N -1 3 369.443 0.847 10 0 FCAEHM C[C@@H](CO[C@H]1CCOC1)[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000632087116 492925630 /nfs/dbraw/zinc/92/56/30/492925630.db2.gz YBPCHFUTGRUENU-IUCAKERBSA-N -1 3 357.354 0.911 10 0 FCAEHM Cc1ncc(CNC(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)c(N)n1 ZINC000570597113 491251964 /nfs/dbraw/zinc/25/19/64/491251964.db2.gz QPVPGBGHHTYQSZ-QMMMGPOBSA-N -1 3 355.445 0.412 10 0 FCAEHM C[C@]1([N-]S(=O)(=O)c2cccnc2C(F)(F)F)CCS(=O)(=O)C1 ZINC000286488675 489396388 /nfs/dbraw/zinc/39/63/88/489396388.db2.gz LEELUUVRSHAMPK-JTQLQIEISA-N -1 3 358.363 0.956 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CCOC[C@@H]1CC(F)F ZINC000286841633 489435950 /nfs/dbraw/zinc/43/59/50/489435950.db2.gz ZNBGUDFIVQCOHZ-VIFPVBQESA-N -1 3 354.400 0.909 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)N2CC(=O)N(C)[C@H](C)C2)ccc1F ZINC000287320130 489477221 /nfs/dbraw/zinc/47/72/21/489477221.db2.gz VELVWCNHZJHZOK-SECBINFHSA-N -1 3 358.395 0.428 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)N2CC(=O)N(C)[C@@H](C)C2)ccc1F ZINC000287320133 489477465 /nfs/dbraw/zinc/47/74/65/489477465.db2.gz VELVWCNHZJHZOK-VIFPVBQESA-N -1 3 358.395 0.428 10 0 FCAEHM COC(=O)c1ncccc1S(=O)(=O)[N-][C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000451280139 489496463 /nfs/dbraw/zinc/49/64/63/489496463.db2.gz GEPQCMINKSUODG-AXFHLTTASA-N -1 3 353.400 0.156 10 0 FCAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@@H](CF)C(=O)OC ZINC000451564499 489509613 /nfs/dbraw/zinc/50/96/13/489509613.db2.gz LUAMCSVKUCKRHS-NKWVEPMBSA-N -1 3 353.290 0.301 10 0 FCAEHM CCOC1(C)CN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)C1 ZINC000451628236 489512532 /nfs/dbraw/zinc/51/25/32/489512532.db2.gz DJJNMGAQWXBUFW-UHFFFAOYSA-N -1 3 366.436 0.997 10 0 FCAEHM Cc1cc(S(=O)(=O)[N-]C[C@@]2(O)CCS(=O)(=O)C2)c(Cl)cc1F ZINC000451685821 489517430 /nfs/dbraw/zinc/51/74/30/489517430.db2.gz NCUTXYASQFHRIJ-LBPRGKRZSA-N -1 3 371.839 0.615 10 0 FCAEHM CC[C@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)[C@H](O)C(F)F ZINC000451706426 489518698 /nfs/dbraw/zinc/51/86/98/489518698.db2.gz GOASZZQAWAGQSK-KWQFWETISA-N -1 3 357.400 0.773 10 0 FCAEHM CC[C@H]([N-]S(=O)(=O)C1CN(C(=O)C2CCCC2)C1)[C@H](O)C(F)F ZINC000451717484 489519663 /nfs/dbraw/zinc/51/96/63/489519663.db2.gz TUXKLEJWCWVKDC-RYUDHWBXSA-N -1 3 354.419 0.711 10 0 FCAEHM COCCNCCNC(=O)N=c1nc(-c2cccc(OC)c2)[n-]s1 ZINC000415433064 489520157 /nfs/dbraw/zinc/52/01/57/489520157.db2.gz WRXPDLAPAZWJOY-UHFFFAOYSA-N -1 3 351.432 0.993 10 0 FCAEHM CC1(C)COC[C@H]1NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000451964792 489534687 /nfs/dbraw/zinc/53/46/87/489534687.db2.gz JMIRPJVHGYSFAP-GFCCVEGCSA-N -1 3 366.436 0.901 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)[C@]34CCC(=O)N3CCS4)cc2n(C)c1=O ZINC000555637972 491261390 /nfs/dbraw/zinc/26/13/90/491261390.db2.gz QOJNQGPFTVJVQC-MRXNPFEDSA-N -1 3 362.411 0.587 10 0 FCAEHM C[C@H]1CCCc2nc(S(=O)(=O)[N-]CCCN3C(=O)CCC3=O)cn21 ZINC000416395235 489589116 /nfs/dbraw/zinc/58/91/16/489589116.db2.gz YOAANPBBGPEGOM-NSHDSACASA-N -1 3 354.432 0.598 10 0 FCAEHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]CCCN3CCC(O)CC3)cn21 ZINC000416405147 489589920 /nfs/dbraw/zinc/58/99/20/489589920.db2.gz SEDRULWKNOAURM-CYBMUJFWSA-N -1 3 356.492 0.906 10 0 FCAEHM COC(=O)CC[C@@H]([N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C)C(=O)OC ZINC000416470428 489597574 /nfs/dbraw/zinc/59/75/74/489597574.db2.gz MNGSZSRYZBOCRZ-GHMZBOCLSA-N -1 3 373.431 0.554 10 0 FCAEHM Cn1nccc1[C@@H](CO)[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000416543302 489608108 /nfs/dbraw/zinc/60/81/08/489608108.db2.gz DOXHFRFWSVWIRP-SNVBAGLBSA-N -1 3 361.221 0.590 10 0 FCAEHM O=S(=O)([N-]C[C@H](O)Cn1ccnn1)c1ccc(Cl)cc1Cl ZINC000416551051 489608737 /nfs/dbraw/zinc/60/87/37/489608737.db2.gz RQTAHCYVVXNGDU-VIFPVBQESA-N -1 3 351.215 0.924 10 0 FCAEHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]C2(C(=O)N(C)C)CC2)c1 ZINC000416581712 489614061 /nfs/dbraw/zinc/61/40/61/489614061.db2.gz GSIBOSUYADLHMT-UHFFFAOYSA-N -1 3 358.391 0.902 10 0 FCAEHM CCCc1ncc(CNC(=O)CC[N-]S(=O)(=O)c2cn(C)c(C)n2)o1 ZINC000456505545 489618951 /nfs/dbraw/zinc/61/89/51/489618951.db2.gz PRUACPBEEFXOOP-UHFFFAOYSA-N -1 3 369.447 0.654 10 0 FCAEHM CCOc1ccncc1S(=O)(=O)[N-]CC1(CS(C)(=O)=O)CCC1 ZINC000416635610 489619584 /nfs/dbraw/zinc/61/95/84/489619584.db2.gz TWKAGCBDUJPXMS-UHFFFAOYSA-N -1 3 362.473 0.974 10 0 FCAEHM CCc1ccc(NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)cc1OC ZINC000456603734 489620521 /nfs/dbraw/zinc/62/05/21/489620521.db2.gz WUNCSHTXJGGFKO-UHFFFAOYSA-N -1 3 352.416 0.908 10 0 FCAEHM CCN(CCS(C)(=O)=O)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000372821391 489640034 /nfs/dbraw/zinc/64/00/34/489640034.db2.gz OESWDLFEQUFJJM-AWEZNQCLSA-N -1 3 368.455 0.890 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)NCCCCF)s1 ZINC000428481968 489649360 /nfs/dbraw/zinc/64/93/60/489649360.db2.gz OJCWHIXAVIYOJB-UHFFFAOYSA-N -1 3 365.452 0.528 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)Nc2cn(C)nn2)CCCC1 ZINC000428536773 489652895 /nfs/dbraw/zinc/65/28/95/489652895.db2.gz MDTSTBATJCLBBK-UHFFFAOYSA-N -1 3 368.419 0.650 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCN(C)C(=O)[C@H]1C ZINC000428573423 489654469 /nfs/dbraw/zinc/65/44/69/489654469.db2.gz MVIIMFGKNPDFOZ-WDEREUQCSA-N -1 3 357.407 0.182 10 0 FCAEHM Cc1ncc(CNS(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)s1 ZINC000488977515 489689739 /nfs/dbraw/zinc/68/97/39/489689739.db2.gz RGADMPCDQICYII-UHFFFAOYSA-N -1 3 367.412 0.278 10 0 FCAEHM C[C@]1(c2ccc(CNC(=O)NCC3(CCO)CC3)cc2)NC(=O)[N-]C1=O ZINC000430410669 489736844 /nfs/dbraw/zinc/73/68/44/489736844.db2.gz XBPOWRWGSFKMSP-QGZVFWFLSA-N -1 3 360.414 0.703 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc([C@@H]3CCCO3)[nH]n2)cn1 ZINC000473854258 489741846 /nfs/dbraw/zinc/74/18/46/489741846.db2.gz JNDPPDSKPCZRJZ-NSHDSACASA-N -1 3 351.388 0.817 10 0 FCAEHM C[C@@H]1CN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)[C@@H](C)[C@H](C)O1 ZINC000474333103 489755973 /nfs/dbraw/zinc/75/59/73/489755973.db2.gz RCMSRJIFEXAVLB-VGMNWLOBSA-N -1 3 360.208 0.736 10 0 FCAEHM COC(=O)c1cc(C(=O)Nc2ccc3c(c2)N(S(N)(=O)=O)CC3)c[n-]1 ZINC000431350781 489802784 /nfs/dbraw/zinc/80/27/84/489802784.db2.gz OZCAHZJQALZPOZ-UHFFFAOYSA-N -1 3 364.383 0.620 10 0 FCAEHM CC(C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1cn(Cc2ccccc2)nn1 ZINC000571015132 491280024 /nfs/dbraw/zinc/28/00/24/491280024.db2.gz OSUXULMYYGLTSI-AWEZNQCLSA-N -1 3 351.432 0.839 10 0 FCAEHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]C2(CC(N)=O)CCC2)cc1F ZINC000475414594 489825707 /nfs/dbraw/zinc/82/57/07/489825707.db2.gz SIQVOMWFTGAWMC-UHFFFAOYSA-N -1 3 364.420 0.306 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1C[C@@H](CO)OC[C@H]1C ZINC000492353853 489825878 /nfs/dbraw/zinc/82/58/78/489825878.db2.gz JVROGZNQMUODCZ-WOPDTQHZSA-N -1 3 360.407 0.101 10 0 FCAEHM CCOC(=O)CN(CC(N)=O)C(=O)Cc1ccc(Br)cc1[O-] ZINC000432804989 489854914 /nfs/dbraw/zinc/85/49/14/489854914.db2.gz MSYNFPQUXZMOGF-UHFFFAOYSA-N -1 3 373.203 0.574 10 0 FCAEHM COC(=O)[C@H](CC1CCCCC1)[N-]S(=O)(=O)CCCS(C)(=O)=O ZINC000494372740 489887258 /nfs/dbraw/zinc/88/72/58/489887258.db2.gz VIDIASBBOWHNTA-ZDUSSCGKSA-N -1 3 369.505 0.853 10 0 FCAEHM COc1nn(C)cc1NC(=O)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000476561215 489900338 /nfs/dbraw/zinc/90/03/38/489900338.db2.gz NBEFZIYHTCRVBR-UHFFFAOYSA-N -1 3 355.354 0.639 10 0 FCAEHM O=C1[N-]C(=O)[C@@]2(CCCN(CCCS(=O)(=O)c3ccc(F)cc3)C2)N1 ZINC000434782453 489956857 /nfs/dbraw/zinc/95/68/57/489956857.db2.gz CXANELHQMZJXRS-INIZCTEOSA-N -1 3 369.418 0.664 10 0 FCAEHM CC(=O)Nc1cccc(NC(=O)[C@H](C)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000434798569 489958156 /nfs/dbraw/zinc/95/81/56/489958156.db2.gz JIUUGUHFCPGCBX-BBATYDOGSA-N -1 3 373.413 0.646 10 0 FCAEHM CC(=O)Nc1cccc(NC(=O)[C@H](C)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000434798570 489958172 /nfs/dbraw/zinc/95/81/72/489958172.db2.gz JIUUGUHFCPGCBX-VOJFVSQTSA-N -1 3 373.413 0.646 10 0 FCAEHM COc1ccc(S(=O)(=O)NCCCCF)cc1[C@@]1(C)NC(=O)[N-]C1=O ZINC000462115234 489958938 /nfs/dbraw/zinc/95/89/38/489958938.db2.gz DZQTXQDVJKGLHU-OAHLLOKOSA-N -1 3 373.406 0.778 10 0 FCAEHM COC(=O)c1cncnc1NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000571188278 491291447 /nfs/dbraw/zinc/29/14/47/491291447.db2.gz AJZLTGSOHDJGJH-KRWDZBQOSA-N -1 3 355.354 0.930 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-][C@@H]1CCCN(c2ccn(C)n2)C1=O)C1CC1 ZINC000571203124 491292488 /nfs/dbraw/zinc/29/24/88/491292488.db2.gz QENBEYRLPLIZDO-OLZOCXBDSA-N -1 3 356.448 0.260 10 0 FCAEHM CO[C@H](CC(C)C)CS(=O)(=O)[N-][C@@H]1CCN(C2CCOCC2)C1=O ZINC000420663897 490005254 /nfs/dbraw/zinc/00/52/54/490005254.db2.gz DRZNEDMOABZTCK-HUUCEWRRSA-N -1 3 362.492 0.747 10 0 FCAEHM O=C(NCCc1nnc2n1CCC2)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436617536 490009891 /nfs/dbraw/zinc/00/98/91/490009891.db2.gz OBAOEAYOXVJHHW-AWEZNQCLSA-N -1 3 369.425 0.893 10 0 FCAEHM COC(=O)c1cn(CCNC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)nn1 ZINC000436725024 490010664 /nfs/dbraw/zinc/01/06/64/490010664.db2.gz UIAGBOUSIQPXDI-UHFFFAOYSA-N -1 3 360.370 0.914 10 0 FCAEHM Cn1cc(C[C@H](O)C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cn1 ZINC000436830254 490014274 /nfs/dbraw/zinc/01/42/74/490014274.db2.gz NTBBQTUKDVKISJ-INIZCTEOSA-N -1 3 358.398 0.014 10 0 FCAEHM Cn1cc(NC(=O)C(=O)NCc2nnc(C(F)(F)F)[n-]2)c(C2CC2)n1 ZINC000463802828 490029022 /nfs/dbraw/zinc/02/90/22/490029022.db2.gz VISOUGIXZNOYHL-UHFFFAOYSA-N -1 3 357.296 0.689 10 0 FCAEHM Cn1cc(NC(=O)C(=O)NCc2n[n-]c(C(F)(F)F)n2)c(C2CC2)n1 ZINC000463802828 490029025 /nfs/dbraw/zinc/02/90/25/490029025.db2.gz VISOUGIXZNOYHL-UHFFFAOYSA-N -1 3 357.296 0.689 10 0 FCAEHM Cn1cc(NC(=O)C(=O)NCc2nc(C(F)(F)F)n[n-]2)c(C2CC2)n1 ZINC000463802828 490029028 /nfs/dbraw/zinc/02/90/28/490029028.db2.gz VISOUGIXZNOYHL-UHFFFAOYSA-N -1 3 357.296 0.689 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CCSCCCO ZINC000443303533 490069738 /nfs/dbraw/zinc/06/97/38/490069738.db2.gz CTVXGVHBSYNYFT-UHFFFAOYSA-N -1 3 353.487 0.484 10 0 FCAEHM CNC(=O)c1cc(S(=O)(=O)[N-][C@](C)(COC)C(F)(F)F)cn1C ZINC000479142370 490070247 /nfs/dbraw/zinc/07/02/47/490070247.db2.gz QDQDSJHZQZXDJE-LLVKDONJSA-N -1 3 357.354 0.630 10 0 FCAEHM C[C@H](CO[C@@H]1CCOC1)[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000441540239 490054621 /nfs/dbraw/zinc/05/46/21/490054621.db2.gz KHDAZPBHTNLQMH-VXGBXAGGSA-N -1 3 363.457 0.562 10 0 FCAEHM CO[C@H](CS(=O)(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1)C1CC1 ZINC000571280701 491297660 /nfs/dbraw/zinc/29/76/60/491297660.db2.gz OQLANYNVPGLNRE-MRXNPFEDSA-N -1 3 368.455 0.905 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1C[C@@H](C)C[C@H](CO)C1 ZINC000421940522 490117652 /nfs/dbraw/zinc/11/76/52/490117652.db2.gz PVPWXMFWHABVIZ-AVGNSLFASA-N -1 3 358.435 0.969 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]Cc2ccccc2CS(C)(=O)=O)c1 ZINC000465484843 490123631 /nfs/dbraw/zinc/12/36/31/490123631.db2.gz VZLZANDQULWUMS-UHFFFAOYSA-N -1 3 357.457 0.926 10 0 FCAEHM CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000506685560 490125497 /nfs/dbraw/zinc/12/54/97/490125497.db2.gz FKKVYHPOPCAAHH-WCQYABFASA-N -1 3 363.439 0.976 10 0 FCAEHM CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000506685559 490125809 /nfs/dbraw/zinc/12/58/09/490125809.db2.gz FKKVYHPOPCAAHH-DGCLKSJQSA-N -1 3 363.439 0.976 10 0 FCAEHM CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000506688742 490126618 /nfs/dbraw/zinc/12/66/18/490126618.db2.gz OPPJCPWERXXOMB-GXFFZTMASA-N -1 3 365.411 0.018 10 0 FCAEHM C[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])S(C)(=O)=O ZINC000533161969 490187997 /nfs/dbraw/zinc/18/79/97/490187997.db2.gz ZIHVGXLVFVFNNO-AAEUAGOBSA-N -1 3 354.428 0.546 10 0 FCAEHM C[C@H]([N-]S(C)(=O)=O)c1nc(-c2ccnc(N3CCOCC3)c2)no1 ZINC000546409254 490213738 /nfs/dbraw/zinc/21/37/38/490213738.db2.gz IASNBQXZUQATII-JTQLQIEISA-N -1 3 353.404 0.578 10 0 FCAEHM O=C(NC1CCN(c2ccccc2)CC1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000564459472 491308319 /nfs/dbraw/zinc/30/83/19/491308319.db2.gz CEALBPGJJMXIOV-HNNXBMFYSA-N -1 3 357.414 0.601 10 0 FCAEHM COc1cc(F)c(S(=O)(=O)[N-][C@H](CO)c2ccnn2C)cc1OC ZINC000521069598 490221964 /nfs/dbraw/zinc/22/19/64/490221964.db2.gz OEKWLZIORSDAPO-SNVBAGLBSA-N -1 3 359.379 0.588 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)Nc1cccc([C@H]2CNC(=O)C2)c1 ZINC000533414909 490231563 /nfs/dbraw/zinc/23/15/63/490231563.db2.gz DDFBZLCDHJKJNL-CYBMUJFWSA-N -1 3 369.443 0.185 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1C[C@@H](C)N(C)C[C@H]1C ZINC000408071007 490238799 /nfs/dbraw/zinc/23/87/99/490238799.db2.gz JIZIOJYUOOBKIM-FOGDFJRCSA-N -1 3 358.464 0.509 10 0 FCAEHM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2-c2nnc[nH]2)cn1C ZINC000498030973 490246985 /nfs/dbraw/zinc/24/69/85/490246985.db2.gz JKQSBWCMBPOWFG-UHFFFAOYSA-N -1 3 360.399 0.971 10 0 FCAEHM COc1ccc(CCNC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)c(Cl)c1 ZINC000546848073 490251323 /nfs/dbraw/zinc/25/13/23/490251323.db2.gz ODQFLJZLMZFXFW-ZDUSSCGKSA-N -1 3 366.805 0.837 10 0 FCAEHM Cc1cccc2[nH]cc(CCNC(=O)N3CCN4C(=O)[N-]C(=O)[C@@H]4C3)c21 ZINC000546848004 490251801 /nfs/dbraw/zinc/25/18/01/490251801.db2.gz KVWXSKQYIFZQLE-AWEZNQCLSA-N -1 3 355.398 0.964 10 0 FCAEHM CNS(=O)(=O)[C@H]1CCN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)C1 ZINC000533547330 490252305 /nfs/dbraw/zinc/25/23/05/490252305.db2.gz JWNRAIIBDKGTBC-NSHDSACASA-N -1 3 354.428 0.869 10 0 FCAEHM CCNC(=O)c1ccc(N2CCN(C(=O)c3cccc([O-])c3)CC2)nn1 ZINC000447654179 490252626 /nfs/dbraw/zinc/25/26/26/490252626.db2.gz XCAXCXSBSIHSCP-UHFFFAOYSA-N -1 3 355.398 0.894 10 0 FCAEHM COc1ccccc1[C@@H](CO)[N-]S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000533551672 490253705 /nfs/dbraw/zinc/25/37/05/490253705.db2.gz IGOKWKDBLUBTNF-CQSZACIVSA-N -1 3 350.396 0.806 10 0 FCAEHM CO[C@H](CCNC(=O)C[N-]S(=O)(=O)c1c(C)noc1C)C(F)(F)F ZINC000564525591 491312013 /nfs/dbraw/zinc/31/20/13/491312013.db2.gz SQQZMDSUPQFKDH-SECBINFHSA-N -1 3 373.353 0.653 10 0 FCAEHM CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000547326459 490278954 /nfs/dbraw/zinc/27/89/54/490278954.db2.gz OZTOMNGOSDFUSN-AWEZNQCLSA-N -1 3 357.414 0.678 10 0 FCAEHM C[C@@]1(C[C@H]2CCCN2C(=O)c2cc3c(cn2)OCCO3)NC(=O)[N-]C1=O ZINC000521614178 490282303 /nfs/dbraw/zinc/28/23/03/490282303.db2.gz AICKSWQJKCAIRY-QGHHPUGFSA-N -1 3 360.370 0.446 10 0 FCAEHM COC(=O)c1nscc1S(=O)(=O)[N-][C@H](CO)C[C@H](O)C(C)(C)C ZINC000556406133 491314147 /nfs/dbraw/zinc/31/41/47/491314147.db2.gz GICATFQPHYGEGI-WPRPVWTQSA-N -1 3 366.461 0.366 10 0 FCAEHM C[C@@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000483131413 490285155 /nfs/dbraw/zinc/28/51/55/490285155.db2.gz RYCQYEPRXDDGME-YGRLFVJLSA-N -1 3 374.397 0.119 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@@]2(C(=O)OC)CCSC2)oc1C ZINC000533925610 490299877 /nfs/dbraw/zinc/29/98/77/490299877.db2.gz IWUPYNFMJNXENU-ZDUSSCGKSA-N -1 3 363.413 0.702 10 0 FCAEHM C[C@H]1CCCN1S(=O)(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000408410025 490330020 /nfs/dbraw/zinc/33/00/20/490330020.db2.gz IFXVFJNKYZKNMV-ZDUSSCGKSA-N -1 3 353.444 0.879 10 0 FCAEHM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N(C)[C@@H]2CCN(C3CC3)C2)c1 ZINC000467722088 490334734 /nfs/dbraw/zinc/33/47/34/490334734.db2.gz XCCDFORQJHZXKR-CYBMUJFWSA-N -1 3 367.471 0.951 10 0 FCAEHM COCCCS(=O)(=O)[N-]CC(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000448413475 490346432 /nfs/dbraw/zinc/34/64/32/490346432.db2.gz JYYJTEPOSGJYOQ-UHFFFAOYSA-N -1 3 359.448 1.401 10 0 FCAEHM CNC(=O)C(C)(C)CNC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000448422586 490347850 /nfs/dbraw/zinc/34/78/50/490347850.db2.gz YLAOORYXBQYEKQ-UHFFFAOYSA-N -1 3 371.441 0.961 10 0 FCAEHM COc1cc(NC(=O)NCc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)nn1C ZINC000547838345 490364445 /nfs/dbraw/zinc/36/44/45/490364445.db2.gz RREYOECNIAMNLS-KRWDZBQOSA-N -1 3 372.385 0.805 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCc3c2c(F)ccc3F)cn1C ZINC000499017703 490378438 /nfs/dbraw/zinc/37/84/38/490378438.db2.gz ZHGLCKHOGXXMEF-UHFFFAOYSA-N -1 3 370.381 0.874 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)NC2(CCO)CCCCC2)cn1C ZINC000468339256 490389524 /nfs/dbraw/zinc/38/95/24/490389524.db2.gz BETTUCPHQQLXFJ-UHFFFAOYSA-N -1 3 372.491 0.598 10 0 FCAEHM CN(C(=O)c1cccc([O-])c1)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000509322044 490416421 /nfs/dbraw/zinc/41/64/21/490416421.db2.gz WUUKXFDENFEMRI-UHFFFAOYSA-N -1 3 374.485 0.703 10 0 FCAEHM O=C([N-]c1nccn1-c1ccccc1)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000411270675 490420168 /nfs/dbraw/zinc/42/01/68/490420168.db2.gz DEESHRPPRPVNCW-UHFFFAOYSA-N -1 3 353.382 0.644 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]([C@@H]3CCOC3)C2)cn1 ZINC000548107118 490422629 /nfs/dbraw/zinc/42/26/29/490422629.db2.gz NEUHQWKKYKLOCC-UONOGXRCSA-N -1 3 353.444 0.878 10 0 FCAEHM CN(C(=O)c1[nH]c(=O)[n-]c(=O)c1N)[C@H]1CCN(c2ccccc2F)C1=O ZINC000468803193 490449237 /nfs/dbraw/zinc/44/92/37/490449237.db2.gz CVPQKBNYZMTHMQ-JTQLQIEISA-N -1 3 361.333 0.487 10 0 FCAEHM CC[C@H]([N-]S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C(F)(F)F ZINC000468816948 490452542 /nfs/dbraw/zinc/45/25/42/490452542.db2.gz DUBUCZDIDOQWGN-VIFPVBQESA-N -1 3 351.306 0.836 10 0 FCAEHM O=S(=O)([N-]C1CC1)c1ccccc1S(=O)(=O)N1C[C@@H](O)C2(CC2)C1 ZINC000548371023 490474306 /nfs/dbraw/zinc/47/43/06/490474306.db2.gz MBQYLXLJIWUMAX-CQSZACIVSA-N -1 3 372.468 0.273 10 0 FCAEHM C[C@@H](Cn1cncn1)NC(=O)NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000523929569 490502822 /nfs/dbraw/zinc/50/28/22/490502822.db2.gz AILDNMWTXZLPQQ-GTNSWQLSSA-N -1 3 371.401 0.221 10 0 FCAEHM CCN1CN(Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[n-]2)CC1=O ZINC000485123536 490503442 /nfs/dbraw/zinc/50/34/42/490503442.db2.gz OIKHFGWTUQMNKK-UHFFFAOYSA-N -1 3 350.400 0.701 10 0 FCAEHM CCN1CN(C(=O)C(=O)[N-]c2scc(C3CC3)c2C(=O)OC)CC1=O ZINC000485250059 490519574 /nfs/dbraw/zinc/51/95/74/490519574.db2.gz JLJWOZDAYLJEOV-UHFFFAOYSA-N -1 3 365.411 0.999 10 0 FCAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C1CCC(C(N)=O)CC1 ZINC000451177037 490524426 /nfs/dbraw/zinc/52/44/26/490524426.db2.gz GVHHJLULBLOABQ-RTBKNWGFSA-N -1 3 374.381 0.834 10 0 FCAEHM CSCCCCNS(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000524243676 490526589 /nfs/dbraw/zinc/52/65/89/490526589.db2.gz HUECRIWUZVNIIQ-UHFFFAOYSA-N -1 3 358.445 0.456 10 0 FCAEHM CCOC(=O)Cn1cccc([N-]S(=O)(=O)c2c(Cl)cnn2C)c1=O ZINC000485390803 490528602 /nfs/dbraw/zinc/52/86/02/490528602.db2.gz NLTLPDIZRVMNGK-UHFFFAOYSA-N -1 3 374.806 0.599 10 0 FCAEHM COC(=O)C[C@](C)([N-]S(=O)(=O)c1cnc2n1CCC2)c1ccccn1 ZINC000485430426 490529955 /nfs/dbraw/zinc/52/99/55/490529955.db2.gz JOGMQGJTZHHGOC-INIZCTEOSA-N -1 3 364.427 0.981 10 0 FCAEHM O=S(=O)(CC[N-]S(=O)(=O)c1cscn1)NCc1ccccc1 ZINC000564906389 491335012 /nfs/dbraw/zinc/33/50/12/491335012.db2.gz USWWCAILVJFTCW-UHFFFAOYSA-N -1 3 361.470 0.541 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NCc1ccc(NC(=O)c2ccncc2)cc1 ZINC000524697041 490551905 /nfs/dbraw/zinc/55/19/05/490551905.db2.gz WMBRLPUSZUBIES-UHFFFAOYSA-N -1 3 367.365 0.502 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]C[C@@H](N2CCOCC2)C(F)(F)F)c1 ZINC000510995920 490553960 /nfs/dbraw/zinc/55/39/60/490553960.db2.gz JZBALDJERRMKDJ-SNVBAGLBSA-N -1 3 356.370 0.444 10 0 FCAEHM COC(=O)Cc1ccc(S(=O)(=O)N2CCc3nc[n-]c(=O)c3C2)cc1 ZINC000549254399 490571662 /nfs/dbraw/zinc/57/16/62/490571662.db2.gz BEIZWXQYEMDKCY-UHFFFAOYSA-N -1 3 363.395 0.645 10 0 FCAEHM CN(C)c1nc(C(=O)NCC(=O)N(C)CCc2ccccn2)cc(=O)[n-]1 ZINC000549305615 490574875 /nfs/dbraw/zinc/57/48/75/490574875.db2.gz KAHIAHYTUTULIV-UHFFFAOYSA-N -1 3 358.402 0.074 10 0 FCAEHM COc1ccc(-c2nnc(CNC(=O)c3cc(=O)[n-]c(N(C)C)n3)[nH]2)cc1 ZINC000549304936 490575049 /nfs/dbraw/zinc/57/50/49/490575049.db2.gz AYZBMOBJBRSDGD-UHFFFAOYSA-N -1 3 369.385 0.972 10 0 FCAEHM COc1ccc(-c2n[nH]c(CNC(=O)c3cc(=O)[n-]c(N(C)C)n3)n2)cc1 ZINC000549304936 490575056 /nfs/dbraw/zinc/57/50/56/490575056.db2.gz AYZBMOBJBRSDGD-UHFFFAOYSA-N -1 3 369.385 0.972 10 0 FCAEHM CN(C)c1nc(C(=O)NCc2nc(COc3ccccc3)n[nH]2)cc(=O)[n-]1 ZINC000549328471 490575904 /nfs/dbraw/zinc/57/59/04/490575904.db2.gz XKYOBMGMGPGNIT-UHFFFAOYSA-N -1 3 369.385 0.875 10 0 FCAEHM C[C@@H](NC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1)C(N)=O ZINC000511301652 490578551 /nfs/dbraw/zinc/57/85/51/490578551.db2.gz PZHVAHQJEWYODW-MRVPVSSYSA-N -1 3 357.413 0.423 10 0 FCAEHM CN(C)c1nc(C(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)cc(=O)[n-]1 ZINC000549361083 490579147 /nfs/dbraw/zinc/57/91/47/490579147.db2.gz WBTVFXQGCUJWIC-CYBMUJFWSA-N -1 3 373.388 0.918 10 0 FCAEHM NC(=O)[C@H](CO)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000511320904 490580375 /nfs/dbraw/zinc/58/03/75/490580375.db2.gz CNPLEZGMCIPFCT-LURJTMIESA-N -1 3 357.613 0.227 10 0 FCAEHM Cc1nc(C)c(S(=O)(=O)[N-]C[C@@H]2CCCCN2S(C)(=O)=O)s1 ZINC000556824837 491339574 /nfs/dbraw/zinc/33/95/74/491339574.db2.gz NOLBXYOGZWRLNC-NSHDSACASA-N -1 3 367.518 0.852 10 0 FCAEHM O=C(c1ccccc1)N1CC(S(=O)(=O)[N-][C@H](CO)CC(F)(F)F)C1 ZINC000501500242 490609394 /nfs/dbraw/zinc/60/93/94/490609394.db2.gz VXAPUSQPQFUAPY-NSHDSACASA-N -1 3 366.361 0.744 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)NC2CCC(C(N)=O)CC2)ccc1F ZINC000486537185 490643466 /nfs/dbraw/zinc/64/34/66/490643466.db2.gz LLGBXYBDRHCSLR-UHFFFAOYSA-N -1 3 372.422 0.899 10 0 FCAEHM CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000511974374 490645727 /nfs/dbraw/zinc/64/57/27/490645727.db2.gz RMCWFDXDGBTIIL-UONOGXRCSA-N -1 3 358.460 0.946 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)N2CC[C@@H](NC(N)=O)C2)ccc1F ZINC000486569745 490647831 /nfs/dbraw/zinc/64/78/31/490647831.db2.gz YKDNCGGPDCKNQZ-SECBINFHSA-N -1 3 359.383 0.008 10 0 FCAEHM O=S(=O)([N-]Cc1nnnn1CC1CC1)c1cnccc1C(F)(F)F ZINC000525952057 490657975 /nfs/dbraw/zinc/65/79/75/490657975.db2.gz CGHRQLPFBSZNSD-UHFFFAOYSA-N -1 3 362.337 0.975 10 0 FCAEHM O=C(NCc1ccn(Cc2ccccc2)n1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000572028641 491343658 /nfs/dbraw/zinc/34/36/58/491343658.db2.gz JBGZIXYYQJZIHO-HNNXBMFYSA-N -1 3 368.397 0.377 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CCN(C2CC2)C(=O)C1 ZINC000502030291 490670305 /nfs/dbraw/zinc/67/03/05/490670305.db2.gz HNMSGAWMVHHLQP-UHFFFAOYSA-N -1 3 357.457 0.250 10 0 FCAEHM CC(C)(C)[C@@H](O)C[C@H](CO)NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000502105911 490677403 /nfs/dbraw/zinc/67/74/03/490677403.db2.gz PBSMCIKHGIGZBH-SFYZADRCSA-N -1 3 353.345 0.781 10 0 FCAEHM CC(C)(C)[C@@H](O)C[C@H](CO)NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000502105911 490677406 /nfs/dbraw/zinc/67/74/06/490677406.db2.gz PBSMCIKHGIGZBH-SFYZADRCSA-N -1 3 353.345 0.781 10 0 FCAEHM CC(C)(C)[C@@H](O)C[C@H](CO)NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000502105911 490677409 /nfs/dbraw/zinc/67/74/09/490677409.db2.gz PBSMCIKHGIGZBH-SFYZADRCSA-N -1 3 353.345 0.781 10 0 FCAEHM COC(=O)c1csc(S(=O)(=O)[N-]CCc2nnc3n2CCC3)c1 ZINC000502188671 490684648 /nfs/dbraw/zinc/68/46/48/490684648.db2.gz SYKIGZZYJCWUCA-UHFFFAOYSA-N -1 3 356.429 0.593 10 0 FCAEHM COC(=O)CCSc1ncccc1NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000487012771 490686965 /nfs/dbraw/zinc/68/69/65/490686965.db2.gz KEOMKMPADKOSPW-VIFPVBQESA-N -1 3 352.372 0.273 10 0 FCAEHM Cc1n[nH]c2cc(NC(=O)C[N-]S(=O)(=O)c3cn(C)c(C)n3)ccc12 ZINC000537707178 490689073 /nfs/dbraw/zinc/68/90/73/490689073.db2.gz RPBHWYFCWHVVIN-UHFFFAOYSA-N -1 3 362.415 0.830 10 0 FCAEHM COCCNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccncc2)c1 ZINC000487210146 490700543 /nfs/dbraw/zinc/70/05/43/490700543.db2.gz MGROWHXLNINGRB-UHFFFAOYSA-N -1 3 371.440 0.229 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 ZINC000538018232 490704751 /nfs/dbraw/zinc/70/47/51/490704751.db2.gz MEGDVPKDUHYOAT-JTQLQIEISA-N -1 3 359.321 0.215 10 0 FCAEHM C[C@H]1OCC[C@H]1S(=O)(=O)[N-]CC(=O)Nc1ccc(-n2cccn2)cc1 ZINC000527192602 490707164 /nfs/dbraw/zinc/70/71/64/490707164.db2.gz GGVYQFUHLLGINX-IUODEOHRSA-N -1 3 364.427 0.908 10 0 FCAEHM CCOC(=O)[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000487378673 490709227 /nfs/dbraw/zinc/70/92/27/490709227.db2.gz QFSFEALLZOLMQW-QWRGUYRKSA-N -1 3 360.407 0.869 10 0 FCAEHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H](C)Cn2cncn2)s1 ZINC000502671993 490715509 /nfs/dbraw/zinc/71/55/09/490715509.db2.gz ZSCFPPYUHXZMHW-SNVBAGLBSA-N -1 3 357.461 0.385 10 0 FCAEHM COCCN(CCOc1ccc(F)cc1)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000488162732 490748826 /nfs/dbraw/zinc/74/88/26/490748826.db2.gz SNWWJUNAHIXHEO-ZDUSSCGKSA-N -1 3 353.350 0.278 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]CCS(=O)(=O)NC[C@H]2CCCCO2)o1 ZINC000539108618 490763081 /nfs/dbraw/zinc/76/30/81/490763081.db2.gz KUIUQRCPTBDWHV-GFCCVEGCSA-N -1 3 366.461 0.355 10 0 FCAEHM CN(C)c1ncc(NC(=O)CC[N-]S(=O)(=O)c2cccs2)cn1 ZINC000503644946 490769107 /nfs/dbraw/zinc/76/91/07/490769107.db2.gz AQGOATLODFLUEZ-UHFFFAOYSA-N -1 3 355.445 0.911 10 0 FCAEHM CCOC(=O)c1cn[n-]c1S(=O)(=O)N(C)Cc1cnc(N(C)C)nc1 ZINC000503829933 490778128 /nfs/dbraw/zinc/77/81/28/490778128.db2.gz MHHIHHWDGKHFSB-UHFFFAOYSA-N -1 3 368.419 0.263 10 0 FCAEHM CCOC(=O)c1c[n-]nc1S(=O)(=O)N(C)Cc1cnc(N(C)C)nc1 ZINC000503829933 490778131 /nfs/dbraw/zinc/77/81/31/490778131.db2.gz MHHIHHWDGKHFSB-UHFFFAOYSA-N -1 3 368.419 0.263 10 0 FCAEHM Cc1cc(F)cc2c1[n-]cc(C(=O)N1CCC[C@@H]1CS(N)(=O)=O)c2=O ZINC000514663292 490779850 /nfs/dbraw/zinc/77/98/50/490779850.db2.gz SWRRTUNCVHSCOR-LLVKDONJSA-N -1 3 367.402 0.869 10 0 FCAEHM CC(C)(C)C(=O)NCC[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000504000525 490785114 /nfs/dbraw/zinc/78/51/14/490785114.db2.gz RHQKQJWAAWFWMQ-UHFFFAOYSA-N -1 3 362.473 0.531 10 0 FCAEHM Cn1nccc1[C@@H](CO)[N-]S(=O)(=O)c1cc(C(F)(F)F)nn1C ZINC000528417127 490796099 /nfs/dbraw/zinc/79/60/99/490796099.db2.gz SAPKBBNDQAGYMA-SSDOTTSWSA-N -1 3 353.326 0.184 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1C[C@@H]2COC[C@H](C1)O2 ZINC000514922326 490798029 /nfs/dbraw/zinc/79/80/29/490798029.db2.gz GPPIVGQHINZHLW-DTORHVGOSA-N -1 3 366.848 0.306 10 0 FCAEHM COCCn1cc(S(=O)(=O)[N-]C[C@H](n2cccn2)C(F)(F)F)cn1 ZINC000528453025 490799016 /nfs/dbraw/zinc/79/90/16/490799016.db2.gz QQUVMZCACPYXAT-NSHDSACASA-N -1 3 367.353 0.808 10 0 FCAEHM CC(C)n1cnc(S(=O)(=O)[N-]C[C@@]2(CO)COCC3(CCC3)N2C)c1 ZINC000528480989 490802005 /nfs/dbraw/zinc/80/20/05/490802005.db2.gz IXRFHCMVCAWIPN-MRXNPFEDSA-N -1 3 372.491 0.358 10 0 FCAEHM COC(=O)CCc1nnc([N-]C(=O)c2cnc3c(c2)NC(=O)CO3)s1 ZINC000539942746 490802510 /nfs/dbraw/zinc/80/25/10/490802510.db2.gz NTPOKWPEGQAUMN-UHFFFAOYSA-N -1 3 363.355 0.622 10 0 FCAEHM Cc1csc(S(=O)(=O)[N-]C[C@]2(CO)COCC3(CCC3)N2C)c1 ZINC000528481974 490802697 /nfs/dbraw/zinc/80/26/97/490802697.db2.gz VBABNSIHRLSVSZ-HNNXBMFYSA-N -1 3 360.501 0.951 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC2COC2)cc1F ZINC000528563012 490809934 /nfs/dbraw/zinc/80/99/34/490809934.db2.gz BKLYGRMZRWAVHD-UHFFFAOYSA-N -1 3 352.409 0.512 10 0 FCAEHM CNC(=O)NC[C@@H]1CN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)CCO1 ZINC000528624519 490814600 /nfs/dbraw/zinc/81/46/00/490814600.db2.gz VJANQXKOOZYKII-OAHLLOKOSA-N -1 3 357.414 0.979 10 0 FCAEHM NC(=O)c1cn(C2CN(C(=O)c3c[n-]c4c(F)cc(F)cc4c3=O)C2)nn1 ZINC000504923730 490814925 /nfs/dbraw/zinc/81/49/25/490814925.db2.gz KIMOJSDDUQTCGE-UHFFFAOYSA-N -1 3 374.307 0.194 10 0 FCAEHM COc1ccc(CC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)cc1OC(F)F ZINC000528782907 490828087 /nfs/dbraw/zinc/82/80/87/490828087.db2.gz KFYRWOUOBKNHBG-JTQLQIEISA-N -1 3 369.324 0.602 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N[C@H](CO)c2ccsc2)cn1C ZINC000505613496 490834990 /nfs/dbraw/zinc/83/49/90/490834990.db2.gz YOABJRWRSVEKPH-GFCCVEGCSA-N -1 3 372.472 0.308 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCC[S@](C)=O ZINC000506166210 490853288 /nfs/dbraw/zinc/85/32/88/490853288.db2.gz JIWODRYHCCSZDJ-CWKPULSASA-N -1 3 350.437 0.377 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-][C@H]2CCCN(Cc3ccccn3)C2=O)c1 ZINC000541309706 490857528 /nfs/dbraw/zinc/85/75/28/490857528.db2.gz LZCMPVCQQODTKO-AWEZNQCLSA-N -1 3 363.443 0.768 10 0 FCAEHM COc1ccc(CN2CC[C@H]2CNC(=O)c2[nH]c(=O)[n-]c(=O)c2N)cc1 ZINC000529829361 490878930 /nfs/dbraw/zinc/87/89/30/490878930.db2.gz BSCHPAWXYCPFCE-NSHDSACASA-N -1 3 359.386 0.483 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000529917900 490883083 /nfs/dbraw/zinc/88/30/83/490883083.db2.gz CKIIDDSGBXRVET-SNVBAGLBSA-N -1 3 368.752 0.252 10 0 FCAEHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c1 ZINC000542044380 490883192 /nfs/dbraw/zinc/88/31/92/490883192.db2.gz BRDSUEMEUSPKFT-MRCXROJRSA-N -1 3 370.402 0.900 10 0 FCAEHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000529985661 490885366 /nfs/dbraw/zinc/88/53/66/490885366.db2.gz MESDOAYJTBAYSR-LITAXDCLSA-N -1 3 360.208 0.640 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000530075438 490887378 /nfs/dbraw/zinc/88/73/78/490887378.db2.gz ITDBDMUFMKQKGY-NSHDSACASA-N -1 3 368.440 0.886 10 0 FCAEHM CNC(=O)NC[C@H]1CN(C(=O)c2c[n-]c3c(C)cc(C)cc3c2=O)CCO1 ZINC000530273767 490897068 /nfs/dbraw/zinc/89/70/68/490897068.db2.gz NGXKXRDBIGQOPH-ZDUSSCGKSA-N -1 3 372.425 0.915 10 0 FCAEHM O=S(=O)([N-]CC[C@H](O)C(F)(F)F)c1cnn(C2CCOCC2)c1 ZINC000542702615 490904825 /nfs/dbraw/zinc/90/48/25/490904825.db2.gz KXKUEICUPLBWNV-NSHDSACASA-N -1 3 357.354 0.826 10 0 FCAEHM CN1CN(C(=O)Cc2csc(NC(=O)c3cccc([O-])c3)n2)CC1=O ZINC000542755423 490907033 /nfs/dbraw/zinc/90/70/33/490907033.db2.gz IWUYHJSDJZHYFT-UHFFFAOYSA-N -1 3 360.395 0.902 10 0 FCAEHM CCNC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)OC)cc2F)C1 ZINC000530483999 490908592 /nfs/dbraw/zinc/90/85/92/490908592.db2.gz UTUYWZYBPHZNGI-LLVKDONJSA-N -1 3 373.406 0.694 10 0 FCAEHM C[C@@H](CN1CCOCC1)C(=O)NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000543110073 490922779 /nfs/dbraw/zinc/92/27/79/490922779.db2.gz KAMXWOKGJCCNOK-DJJJIMSYSA-N -1 3 374.441 0.326 10 0 FCAEHM CCCN(C)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000518030580 490928636 /nfs/dbraw/zinc/92/86/36/490928636.db2.gz QZUWPPCLVFHDSF-UHFFFAOYSA-N -1 3 371.459 0.693 10 0 FCAEHM Cc1ccc(CNC(=O)C2CCN(C(=O)CN3CC(=O)[N-]C3=O)CC2)cc1 ZINC000531085714 490939715 /nfs/dbraw/zinc/93/97/15/490939715.db2.gz VERNKWVTSGZFMD-UHFFFAOYSA-N -1 3 372.425 0.402 10 0 FCAEHM CN1CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccncc3)cc2)CC1=O ZINC000543682135 490941221 /nfs/dbraw/zinc/94/12/21/490941221.db2.gz KFXKBTHHFHCEQA-UHFFFAOYSA-N -1 3 360.395 0.176 10 0 FCAEHM O=C(Cn1cnc2c1CCCC2)NCC[N-]S(=O)(=O)c1cccs1 ZINC000543692395 490941861 /nfs/dbraw/zinc/94/18/61/490941861.db2.gz CVSUODHNOXMMKE-UHFFFAOYSA-N -1 3 368.484 0.918 10 0 FCAEHM CCOC(=O)[C@H](C)[C@H](C)[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000544183420 490960685 /nfs/dbraw/zinc/96/06/85/490960685.db2.gz GSHZDEMHPNOABL-MNOVXSKESA-N -1 3 363.457 0.956 10 0 FCAEHM C[C@]1(c2ccc(CNC(=O)NCC[C@@H]3CCOC3)cc2)NC(=O)[N-]C1=O ZINC000544249357 490962791 /nfs/dbraw/zinc/96/27/91/490962791.db2.gz IFFNSQHFEJKARL-FZKQIMNGSA-N -1 3 360.414 0.967 10 0 FCAEHM NC(=O)[C@@H]1CCC[C@H](NC(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000531728331 490971717 /nfs/dbraw/zinc/97/17/17/490971717.db2.gz YCUOYFFFIDFPIF-NEPJUHHUSA-N -1 3 370.409 0.418 10 0 FCAEHM Cc1ccn(-c2ccccc2CNC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)n1 ZINC000544805693 490982153 /nfs/dbraw/zinc/98/21/53/490982153.db2.gz MBNAGHOAFAOFPM-OAHLLOKOSA-N -1 3 368.397 0.626 10 0 FCAEHM CN(C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)[C@H]1CCN(C2CC2)C1 ZINC000519729054 490987046 /nfs/dbraw/zinc/98/70/46/490987046.db2.gz DBDWCKRCGZIDDR-LBPRGKRZSA-N -1 3 373.425 0.938 10 0 FCAEHM NC(=O)[C@@H]1CCC[C@H](NC(=O)CC[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000532237938 490989603 /nfs/dbraw/zinc/98/96/03/490989603.db2.gz BSGZFCNSDREXHF-NEPJUHHUSA-N -1 3 371.434 0.654 10 0 FCAEHM NC(=O)[C@H]1CCC[C@H](NC(=O)CC[N-]S(=O)(=O)c2cccs2)C1 ZINC000532525182 490993578 /nfs/dbraw/zinc/99/35/78/490993578.db2.gz HYHHWTBVFPXZEB-QWRGUYRKSA-N -1 3 359.473 0.577 10 0 FCAEHM COC(=O)[C@H](CF)NC(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000565446118 491377391 /nfs/dbraw/zinc/37/73/91/491377391.db2.gz XRYJMXYXLAUEAL-NSHDSACASA-N -1 3 368.333 0.261 10 0 FCAEHM C[C@]1(c2cccc(C(=O)NC[C@@H](CO)c3cccnc3)c2)NC(=O)[N-]C1=O ZINC000572554995 491378755 /nfs/dbraw/zinc/37/87/55/491378755.db2.gz NGHYGUUQAGKUEX-IFXJQAMLSA-N -1 3 368.393 0.642 10 0 FCAEHM O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N1CCc2c(=O)[n-]cnc2C1 ZINC000572679954 491386832 /nfs/dbraw/zinc/38/68/32/491386832.db2.gz UBHSGBYBBHKMKZ-UHFFFAOYSA-N -1 3 353.338 0.183 10 0 FCAEHM Cc1cnc(S(C)(=O)=O)nc1C(=O)[N-]c1ncn(C2CCCCC2)n1 ZINC000557670619 491390392 /nfs/dbraw/zinc/39/03/92/491390392.db2.gz ZUVRYIVBSZCCNR-UHFFFAOYSA-N -1 3 364.431 1.538 10 0 FCAEHM C[C@H]1CCN(c2cc(C(=O)N3CCC[C@]4(C3)NC(=O)[N-]C4=O)ccn2)C1 ZINC000572808783 491394980 /nfs/dbraw/zinc/39/49/80/491394980.db2.gz JKBNGPAMRZVHEA-KPZWWZAWSA-N -1 3 357.414 0.742 10 0 FCAEHM O=S(=O)([N-][C@@H]1CCCOC1)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000565736338 491396582 /nfs/dbraw/zinc/39/65/82/491396582.db2.gz DUCVDHJGCQGHDU-CYBMUJFWSA-N -1 3 374.484 0.928 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCNC[C@@H]2c2cccnc2)co1 ZINC000565832336 491401810 /nfs/dbraw/zinc/40/18/10/491401810.db2.gz JJLOCULZBJIZOX-CYBMUJFWSA-N -1 3 350.400 0.369 10 0 FCAEHM COC(=O)c1nscc1S(=O)(=O)[N-]C[C@@H](CO)c1cccnc1 ZINC000557864201 491401855 /nfs/dbraw/zinc/40/18/55/491401855.db2.gz PYXOGRMCWMURTM-JTQLQIEISA-N -1 3 357.413 0.379 10 0 FCAEHM COC(=O)c1cc(NC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)cc2[nH]ccc21 ZINC000565917768 491407265 /nfs/dbraw/zinc/40/72/65/491407265.db2.gz ROFZBNLUAZQHST-ZDUSSCGKSA-N -1 3 371.353 0.722 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)CNC(=O)c2cc(F)cc(F)c2)nc1=N ZINC000566073437 491416132 /nfs/dbraw/zinc/41/61/32/491416132.db2.gz LMBDRWISBFVYKP-LBPRGKRZSA-N -1 3 364.356 0.599 10 0 FCAEHM Cc1ccsc1[C@H](CO)NC(=O)C[N-]S(=O)(=O)c1c(C)noc1C ZINC000558563343 491436367 /nfs/dbraw/zinc/43/63/67/491436367.db2.gz WSOIMEZQRNQQPA-NSHDSACASA-N -1 3 373.456 0.789 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]c1ccc(-n2c(=O)[nH][nH]c2=O)cc1)C1CC1 ZINC000566471997 491446365 /nfs/dbraw/zinc/44/63/65/491446365.db2.gz WFCFHALPKOCNAX-GFCCVEGCSA-N -1 3 354.388 0.845 10 0 FCAEHM CCOc1ccncc1S(=O)(=O)[N-]CCS(=O)(=O)NC(C)(C)C ZINC000573673594 491447404 /nfs/dbraw/zinc/44/74/04/491447404.db2.gz JMGZSWKJVLJDPU-UHFFFAOYSA-N -1 3 365.477 0.477 10 0 FCAEHM COc1ccccc1N1CC[C@@H](NC(=O)c2cc(=O)[n-]c(N(C)C)n2)C1=O ZINC000559007735 491451644 /nfs/dbraw/zinc/45/16/44/491451644.db2.gz LGFORIQOAZICMU-LLVKDONJSA-N -1 3 371.397 0.792 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCc2nc([C@@H](N)CC(C)C)no2)cn1C ZINC000573963566 491466154 /nfs/dbraw/zinc/46/61/54/491466154.db2.gz DNWBDWSDNWIBOT-NSHDSACASA-N -1 3 356.452 0.678 10 0 FCAEHM CC1(C)COCN1S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1CC1 ZINC000566985445 491479168 /nfs/dbraw/zinc/47/91/68/491479168.db2.gz JZZPQABRLMBPDQ-UHFFFAOYSA-N -1 3 360.457 0.884 10 0 FCAEHM O=C(CSc1nc2ccccc2[nH]1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000560007239 491513996 /nfs/dbraw/zinc/51/39/96/491513996.db2.gz MPNWIYDQYYGFLF-INIZCTEOSA-N -1 3 359.411 0.856 10 0 FCAEHM CCN1CC[C@H]2OCCN(C(=O)c3ccc(-c4nc(=O)o[n-]4)cc3)[C@H]2C1 ZINC000574723472 491516245 /nfs/dbraw/zinc/51/62/45/491516245.db2.gz NLOZZRCUNFWISD-LSDHHAIUSA-N -1 3 358.398 0.965 10 0 FCAEHM CO[C@H](CS(=O)(=O)N1CCC[C@@H]1C[C@]1(C)NC(=O)[N-]C1=O)C1CC1 ZINC000574752603 491518073 /nfs/dbraw/zinc/51/80/73/491518073.db2.gz LYVHIALWEHJYOD-JMSVASOKSA-N -1 3 359.448 0.194 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)NC[C@@H]2CC23CCSCC3)c1 ZINC000567621437 491518689 /nfs/dbraw/zinc/51/86/89/491518689.db2.gz KBXFHUGBJUQYOZ-NSHDSACASA-N -1 3 358.489 0.348 10 0 FCAEHM COC(=O)c1conc1C(C)(C)NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000574984269 491531592 /nfs/dbraw/zinc/53/15/92/491531592.db2.gz JWYDQBCLBJMMSF-UHFFFAOYSA-N -1 3 361.354 0.948 10 0 FCAEHM COCc1noc(Cn2cc(I)c(=O)[n-]c2=O)n1 ZINC000575431247 491554131 /nfs/dbraw/zinc/55/41/31/491554131.db2.gz YNARMPYHXRTLNX-UHFFFAOYSA-N -1 3 364.099 0.131 10 0 FCAEHM CCn1nccc1S(=O)(=O)N1CCC[C@@H]1C[C@@]1(C)NC(=O)[N-]C1=O ZINC000560471442 491540793 /nfs/dbraw/zinc/54/07/93/491540793.db2.gz JLRGNUQISQHFGQ-QMTHXVAHSA-N -1 3 355.420 0.044 10 0 FCAEHM COC(=O)CC1([N-]S(=O)(=O)c2ccc(CCNC(C)=O)s2)CC1 ZINC000568033133 491548998 /nfs/dbraw/zinc/54/89/98/491548998.db2.gz CBGCIQVKQVBLGH-UHFFFAOYSA-N -1 3 360.457 0.801 10 0 FCAEHM CN1CCc2ccc(S(=O)(=O)N3CCC[C@@]4(C3)NC(=O)[N-]C4=O)cc21 ZINC000575976774 491573555 /nfs/dbraw/zinc/57/35/55/491573555.db2.gz ZEQUWRPFJVBLOK-INIZCTEOSA-N -1 3 364.427 0.042 10 0 FCAEHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(CNS(C)(=O)=O)CC2)c1 ZINC000576017421 491576552 /nfs/dbraw/zinc/57/65/52/491576552.db2.gz HWJFIPXBDVEACW-UHFFFAOYSA-N -1 3 369.443 0.752 10 0 FCAEHM CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H]1C[C@]1(C)NC(=O)[N-]C1=O ZINC000576214814 491592694 /nfs/dbraw/zinc/59/26/94/491592694.db2.gz LQNIXGCIDFSQJJ-JCGVRSQUSA-N -1 3 364.446 0.613 10 0 FCAEHM Cn1ccc(S(=O)(=O)[N-][C@H]2CCN(Cc3ccc(F)cc3)C2=O)n1 ZINC000584467577 491594533 /nfs/dbraw/zinc/59/45/33/491594533.db2.gz UIUVSHUXPGROKG-ZDUSSCGKSA-N -1 3 352.391 0.639 10 0 FCAEHM CC[C@H]([N-]S(=O)(=O)Cc1ccc(C(=O)NC)cc1)[C@H](O)C(F)F ZINC000577192046 491600349 /nfs/dbraw/zinc/60/03/49/491600349.db2.gz GRMGXBOFFNGVFA-RYUDHWBXSA-N -1 3 350.387 0.870 10 0 FCAEHM CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1cscn1 ZINC000576515008 491621181 /nfs/dbraw/zinc/62/11/81/491621181.db2.gz WIMFPYYMYAKKPM-VHSXEESVSA-N -1 3 353.491 0.529 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)[C@H]2CN(Cc3ccccc3)CCO2)nc1=N ZINC000561947284 491641456 /nfs/dbraw/zinc/64/14/56/491641456.db2.gz SKQIWBDIFUMQON-JKSUJKDBSA-N -1 3 370.457 0.792 10 0 FCAEHM Cc1nnsc1C[N-]S(=O)(=O)C1CN(C(=O)c2ccccc2)C1 ZINC000577693490 491643039 /nfs/dbraw/zinc/64/30/39/491643039.db2.gz VPVLVLMOJIYOEP-UHFFFAOYSA-N -1 3 352.441 0.791 10 0 FCAEHM C[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000576876072 491652911 /nfs/dbraw/zinc/65/29/11/491652911.db2.gz PEJPEDHDHOKIGR-KGLIPLIRSA-N -1 3 353.463 0.936 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)CSCC(=O)OC(C)(C)C)nc1=N ZINC000578075655 491669398 /nfs/dbraw/zinc/66/93/98/491669398.db2.gz GSNJREFPCNYNAI-SNVBAGLBSA-N -1 3 355.464 0.966 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@@H]2COCC[C@@H]21 ZINC000578287251 491673948 /nfs/dbraw/zinc/67/39/48/491673948.db2.gz UFSPSCVPGBIWDB-OLZOCXBDSA-N -1 3 374.484 0.784 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)s1 ZINC000578593424 491680456 /nfs/dbraw/zinc/68/04/56/491680456.db2.gz LYIURGNDLDTWTL-JJLQDPRZSA-N -1 3 371.484 0.577 10 0 FCAEHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N(C)CCC(N)=O ZINC000579276081 491694642 /nfs/dbraw/zinc/69/46/42/491694642.db2.gz BQSZDYOVTRMELY-UHFFFAOYSA-N -1 3 370.365 0.940 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)Nc1cn(Cc2ccccc2)nn1 ZINC000579295633 491694842 /nfs/dbraw/zinc/69/48/42/491694842.db2.gz LTCRUKVIYCMILM-UHFFFAOYSA-N -1 3 367.431 0.221 10 0 FCAEHM COC(=O)CC1(NC(=O)Nc2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)CC1 ZINC000580197739 491721389 /nfs/dbraw/zinc/72/13/89/491721389.db2.gz FBTHSAKRHKJCSF-LBPRGKRZSA-N -1 3 360.370 0.654 10 0 FCAEHM C[C@@H](O)[C@H]([N-]S(=O)(=O)CCCN1CCOCC1)c1ccccc1F ZINC000580199453 491721396 /nfs/dbraw/zinc/72/13/96/491721396.db2.gz LXUOGOBWPFAAII-CJNGLKHVSA-N -1 3 360.451 0.889 10 0 FCAEHM Cc1ccc(C)c(CN(C)C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)c1 ZINC000580504440 491733856 /nfs/dbraw/zinc/73/38/56/491733856.db2.gz YTHMORQCOQVBRY-UHFFFAOYSA-N -1 3 350.444 0.974 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]CCCN2C(=O)NC3(CCCC3)C2=O)c1 ZINC000673818444 493363427 /nfs/dbraw/zinc/36/34/27/493363427.db2.gz LOJCSYLXFJLOHR-UHFFFAOYSA-N -1 3 369.447 0.436 10 0 FCAEHM COc1ccnc(N2CCN(C(=O)CNC(=O)c3ccc([O-])cc3)CC2)n1 ZINC000589689455 491764986 /nfs/dbraw/zinc/76/49/86/491764986.db2.gz RGLQHVPPDKZPIW-UHFFFAOYSA-N -1 3 371.397 0.269 10 0 FCAEHM CCOC(=O)C[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000590383690 491774546 /nfs/dbraw/zinc/77/45/46/491774546.db2.gz BXLYHNITBYSFQW-OCCSQVGLSA-N -1 3 364.398 0.427 10 0 FCAEHM CN1CCC(C[N-]S(=O)(=O)c2cscn2)(N2CCOCC2)CC1 ZINC000581545598 491777195 /nfs/dbraw/zinc/77/71/95/491777195.db2.gz SUBXMYGKIDDGCZ-UHFFFAOYSA-N -1 3 360.505 0.218 10 0 FCAEHM CCNC(=O)NCC[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000590590470 491780391 /nfs/dbraw/zinc/78/03/91/491780391.db2.gz XOOSRJMERKBGFN-UHFFFAOYSA-N -1 3 363.823 0.724 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]CCCN2CCCS2(=O)=O)c(F)c1 ZINC000591390991 491804679 /nfs/dbraw/zinc/80/46/79/491804679.db2.gz MZCUHVOLYNZHRB-UHFFFAOYSA-N -1 3 350.437 0.838 10 0 FCAEHM CCCc1nc(Cn2cc(I)c(=O)[n-]c2=O)no1 ZINC000582677810 491822355 /nfs/dbraw/zinc/82/23/55/491822355.db2.gz VJJDFGGNETXWPH-UHFFFAOYSA-N -1 3 362.127 0.937 10 0 FCAEHM COC[C@@](C)(CC(=O)OC)[N-]S(=O)(=O)C[C@@H](OC)C1CCOCC1 ZINC000592034634 491828291 /nfs/dbraw/zinc/82/82/91/491828291.db2.gz LCVXRBKSADQJJY-UKRRQHHQSA-N -1 3 367.464 0.316 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CC[C@@H](C)[S@](C)=O)coc1C(=O)N(C)C ZINC000592039380 491828613 /nfs/dbraw/zinc/82/86/13/491828613.db2.gz JLBPLVGIWCTHNF-BTKVJGODSA-N -1 3 350.462 0.725 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C(=O)OC)c2ccnn2C)oc1C ZINC000592091384 491831649 /nfs/dbraw/zinc/83/16/49/491831649.db2.gz JOEVNRATPSCXAJ-LBPRGKRZSA-N -1 3 371.371 0.301 10 0 FCAEHM COC(=O)[C@@H]([N-]S(=O)(=O)CCCC1CCOCC1)c1ccnn1C ZINC000592094956 491831926 /nfs/dbraw/zinc/83/19/26/491831926.db2.gz DBVWMFHLOJTOCF-AWEZNQCLSA-N -1 3 359.448 0.760 10 0 FCAEHM Cn1cc(N2CC[C@@H]([N-]S(=O)(=O)CC3Cc4ccccc4C3)C2=O)cn1 ZINC000583076544 491837492 /nfs/dbraw/zinc/83/74/92/491837492.db2.gz HLVBNHNQYUCFSZ-QGZVFWFLSA-N -1 3 374.466 0.860 10 0 FCAEHM CN(C)c1ccnc(NC(=O)NCC[N-]S(=O)(=O)c2cccs2)n1 ZINC000583329536 491842565 /nfs/dbraw/zinc/84/25/65/491842565.db2.gz GKZVQKXAAOMAQN-UHFFFAOYSA-N -1 3 370.460 0.704 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C[C@@H](C)S(C)(=O)=O ZINC000583592843 491848323 /nfs/dbraw/zinc/84/83/23/491848323.db2.gz ZCYXZFGGQCTBDF-SSDOTTSWSA-N -1 3 353.418 0.394 10 0 FCAEHM CC(C)N(C[C@H]1CCC(=O)N1)C(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000584100484 491858510 /nfs/dbraw/zinc/85/85/10/491858510.db2.gz PAPIXAOPELLETD-GFCCVEGCSA-N -1 3 373.500 0.932 10 0 FCAEHM CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000584100485 491858537 /nfs/dbraw/zinc/85/85/37/491858537.db2.gz PAPIXAOPELLETD-LBPRGKRZSA-N -1 3 373.500 0.932 10 0 FCAEHM CCN(CC)CCS(=O)(=O)[N-][C@@]1(C(=O)OC(C)(C)C)CCOC1 ZINC000594846963 491865586 /nfs/dbraw/zinc/86/55/86/491865586.db2.gz MWJIMMMAGKBCBD-HNNXBMFYSA-N -1 3 350.481 0.748 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H](C)S(=O)(=O)C2)s1 ZINC000594847337 491866156 /nfs/dbraw/zinc/86/61/56/491866156.db2.gz DGSPYEFGMAYRDG-DTWKUNHWSA-N -1 3 367.470 0.779 10 0 FCAEHM COC(=O)c1ncccc1S(=O)(=O)[N-][C@@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000594849005 491866609 /nfs/dbraw/zinc/86/66/09/491866609.db2.gz IJVRVZVBFIUZCC-VHSXEESVSA-N -1 3 362.429 0.112 10 0 FCAEHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CC2CC1(C(=O)OC)C2 ZINC000595131591 491887758 /nfs/dbraw/zinc/88/77/58/491887758.db2.gz BUFDHJNRJPZXQY-UHFFFAOYSA-N -1 3 366.395 0.946 10 0 FCAEHM O=c1[n-]c(=O)n(COC2CCOCC2)cc1I ZINC000601083276 491896178 /nfs/dbraw/zinc/89/61/78/491896178.db2.gz CNMGHZPAUTYZBG-UHFFFAOYSA-N -1 3 352.128 0.707 10 0 FCAEHM CCN(Cc1ccccc1)C(=O)C[N-]S(=O)(=O)CC1(C(=O)OC)CC1 ZINC000601316614 491903866 /nfs/dbraw/zinc/90/38/66/491903866.db2.gz NOGFDZIJKSPKRI-UHFFFAOYSA-N -1 3 368.455 0.908 10 0 FCAEHM COC(=O)[C@@]1([N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)CCOC1 ZINC000601368660 491909016 /nfs/dbraw/zinc/90/90/16/491909016.db2.gz ACFUOGZKKJKWEN-SNVBAGLBSA-N -1 3 357.310 0.049 10 0 FCAEHM COC(=O)[C@]1([N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)CCOC1 ZINC000601368659 491909273 /nfs/dbraw/zinc/90/92/73/491909273.db2.gz ACFUOGZKKJKWEN-JTQLQIEISA-N -1 3 357.310 0.049 10 0 FCAEHM COC(=O)[C@@H](CC(F)F)[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000601381598 491910783 /nfs/dbraw/zinc/91/07/83/491910783.db2.gz CUEBBSYQUSMDJM-ZCFIWIBFSA-N -1 3 365.280 0.914 10 0 FCAEHM O=C(c1ccnc2c1CC(=O)N2)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000612381527 491913587 /nfs/dbraw/zinc/91/35/87/491913587.db2.gz DWLRXYORXRWILE-UHFFFAOYSA-N -1 3 366.377 0.880 10 0 FCAEHM COC(=O)[C@H](Cc1ccncc1)[N-]S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000601417828 491916399 /nfs/dbraw/zinc/91/63/99/491916399.db2.gz DKPLGEOTARBCER-SCRDCRAPSA-N -1 3 357.432 0.109 10 0 FCAEHM CC[C@](COC)([N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C)C(=O)OC ZINC000601435213 491918745 /nfs/dbraw/zinc/91/87/45/491918745.db2.gz ORXOMLCWTMKDEC-LLVKDONJSA-N -1 3 373.353 0.685 10 0 FCAEHM CC[C@H](C)C[C@H]([N-]S(=O)(=O)CCCN1CCN(C)CC1)C(=O)OC ZINC000601451721 491921011 /nfs/dbraw/zinc/92/10/11/491921011.db2.gz KAHVFVDGDLHSHC-GJZGRUSLSA-N -1 3 363.524 0.521 10 0 FCAEHM CN(C)C1(CS(=O)(=O)[N-][C@@H](C(=O)OC(C)(C)C)c2ccnn2C)CC1 ZINC000601452239 491921300 /nfs/dbraw/zinc/92/13/00/491921300.db2.gz HBHLVBRDNUFBNR-CYBMUJFWSA-N -1 3 372.491 0.817 10 0 FCAEHM CCS(=O)(=O)C1(C[N-]S(=O)(=O)c2ccsc2C(=O)OC)CC1 ZINC000595363538 491924088 /nfs/dbraw/zinc/92/40/88/491924088.db2.gz FMLMYVIJAQWKGU-UHFFFAOYSA-N -1 3 367.470 0.780 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CC2(C1)CC(F)(F)C2 ZINC000677926572 493624488 /nfs/dbraw/zinc/62/44/88/493624488.db2.gz NDJRQXFUYQNOCH-UHFFFAOYSA-N -1 3 364.146 0.969 10 0 FCAEHM COc1cc(C)cc(C(=O)Nc2nc(C)n(C)c2C(=O)NCCO)c1[O-] ZINC000613982547 492007721 /nfs/dbraw/zinc/00/77/21/492007721.db2.gz IPVPTHQATVIDNG-UHFFFAOYSA-N -1 3 362.386 0.726 10 0 FCAEHM COC(=O)Cc1n[n-]c(NC(=O)CCc2cc(OC)c(O)c(OC)c2)n1 ZINC000597269626 492026451 /nfs/dbraw/zinc/02/64/51/492026451.db2.gz VRKOLQNALNCNSO-UHFFFAOYSA-N -1 3 364.358 0.814 10 0 FCAEHM COC(=O)Cc1nnc(NC(=O)CCc2cc(OC)c(O)c(OC)c2)[n-]1 ZINC000597269626 492026452 /nfs/dbraw/zinc/02/64/52/492026452.db2.gz VRKOLQNALNCNSO-UHFFFAOYSA-N -1 3 364.358 0.814 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)CCc2cc(OC)c(O)c(OC)c2)n[n-]1 ZINC000597269626 492026454 /nfs/dbraw/zinc/02/64/54/492026454.db2.gz VRKOLQNALNCNSO-UHFFFAOYSA-N -1 3 364.358 0.814 10 0 FCAEHM CN1C[C@H](C(=O)Nc2cc(I)ccc2[O-])NC1=O ZINC000597442344 492038583 /nfs/dbraw/zinc/03/85/83/492038583.db2.gz WGUVTNOUIXOZRN-MRVPVSSYSA-N -1 3 361.139 0.959 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)CN2CCN(C3CC3)C2=O)ccc1F ZINC000614679222 492047356 /nfs/dbraw/zinc/04/73/56/492047356.db2.gz BTLOGOZCZYNMIR-UHFFFAOYSA-N -1 3 370.406 0.572 10 0 FCAEHM COC[C@]1(C(=O)OC)CCCN1C(=O)CNC(=O)c1cccc([O-])c1 ZINC000597965388 492075821 /nfs/dbraw/zinc/07/58/21/492075821.db2.gz YGKWUKGKWCPKLZ-KRWDZBQOSA-N -1 3 350.371 0.303 10 0 FCAEHM COC(=O)C12CC(C1)CN2C(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000598057386 492081949 /nfs/dbraw/zinc/08/19/49/492081949.db2.gz JOCPJPKSOFNLJI-UHFFFAOYSA-N -1 3 358.441 0.581 10 0 FCAEHM CN1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000615275083 492084090 /nfs/dbraw/zinc/08/40/90/492084090.db2.gz LFSYEOKREYVICA-HUUCEWRRSA-N -1 3 358.398 0.965 10 0 FCAEHM COc1ccccc1[C@@H](NC(=O)CN1CC(=O)[N-]C1=O)c1noc(C)n1 ZINC000605518474 492097210 /nfs/dbraw/zinc/09/72/10/492097210.db2.gz OGPPXAKHVGNRAH-CQSZACIVSA-N -1 3 359.342 0.144 10 0 FCAEHM CN(C1CC1)S(=O)(=O)NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000605586950 492099868 /nfs/dbraw/zinc/09/98/68/492099868.db2.gz JOTQERRISWVKKN-OAHLLOKOSA-N -1 3 352.416 0.170 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCC[C@@H]1c1cn[nH]c1 ZINC000615899506 492106725 /nfs/dbraw/zinc/10/67/25/492106725.db2.gz OMXDUMJEFRQUDI-SNVBAGLBSA-N -1 3 368.191 0.798 10 0 FCAEHM CCOC(=O)c1nc(CNC(=O)[C@H](C(CC)CC)N2CCOCC2)n[n-]1 ZINC000615919209 492107098 /nfs/dbraw/zinc/10/70/98/492107098.db2.gz DVSYSKDGEXNGEQ-AWEZNQCLSA-N -1 3 367.450 0.735 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)[C@H](C(CC)CC)N2CCOCC2)[n-]1 ZINC000615919209 492107099 /nfs/dbraw/zinc/10/70/99/492107099.db2.gz DVSYSKDGEXNGEQ-AWEZNQCLSA-N -1 3 367.450 0.735 10 0 FCAEHM CCOC(=O)c1n[n-]c(CNC(=O)[C@H](C(CC)CC)N2CCOCC2)n1 ZINC000615919209 492107102 /nfs/dbraw/zinc/10/71/02/492107102.db2.gz DVSYSKDGEXNGEQ-AWEZNQCLSA-N -1 3 367.450 0.735 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)CCNC(=O)Cc2ccccc2)[n-]1 ZINC000615919213 492107177 /nfs/dbraw/zinc/10/71/77/492107177.db2.gz ABGDVFYQCQTEHN-UHFFFAOYSA-N -1 3 359.386 0.347 10 0 FCAEHM COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1Cc1cc(=O)n2nc(N)[n-]c2n1 ZINC000598597025 492107289 /nfs/dbraw/zinc/10/72/89/492107289.db2.gz VQYNPACKALWSMO-JSGCOSHPSA-N -1 3 374.445 0.774 10 0 FCAEHM CCOC(=O)c1nc(CNC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@@H](C)C2)n[n-]1 ZINC000615919251 492107361 /nfs/dbraw/zinc/10/73/61/492107361.db2.gz CBAOKJUDJBRTBV-SCRDCRAPSA-N -1 3 367.450 0.731 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@@H](C)C2)[n-]1 ZINC000615919251 492107362 /nfs/dbraw/zinc/10/73/62/492107362.db2.gz CBAOKJUDJBRTBV-SCRDCRAPSA-N -1 3 367.450 0.731 10 0 FCAEHM CCOC(=O)c1n[n-]c(CNC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000615919251 492107363 /nfs/dbraw/zinc/10/73/63/492107363.db2.gz CBAOKJUDJBRTBV-SCRDCRAPSA-N -1 3 367.450 0.731 10 0 FCAEHM Cc1[nH]nc(NC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)C)c1Br ZINC000616009064 492114289 /nfs/dbraw/zinc/11/42/89/492114289.db2.gz NHJQGYZGLBPYCU-QMMMGPOBSA-N -1 3 353.242 0.993 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)CNC(=O)c2cccc(Cl)c2)[n-]1 ZINC000616030074 492114869 /nfs/dbraw/zinc/11/48/69/492114869.db2.gz QWOOBLFMALARKV-UHFFFAOYSA-N -1 3 365.777 0.681 10 0 FCAEHM O=C(Cn1nc2n(c1=O)CCCC2)NCc1ccc([O-])c2ncccc12 ZINC000616020964 492115266 /nfs/dbraw/zinc/11/52/66/492115266.db2.gz SZMLADNBAMDXRR-UHFFFAOYSA-N -1 3 353.382 0.951 10 0 FCAEHM CN1C[C@H](NC(=O)NCc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)CCC1=O ZINC000606666273 492126092 /nfs/dbraw/zinc/12/60/92/492126092.db2.gz MVBYTTMGHDIXHF-ACJLOTCBSA-N -1 3 373.413 0.161 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]CCC(=O)N2CCCCC2)on1 ZINC000599218642 492144429 /nfs/dbraw/zinc/14/44/29/492144429.db2.gz JPWWDVFJOGNTSP-UHFFFAOYSA-N -1 3 373.431 0.673 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]Cc2cnc(N(C)C)n2C)on1 ZINC000599238324 492147258 /nfs/dbraw/zinc/14/72/58/492147258.db2.gz ZTGKNCZWWAIHLH-UHFFFAOYSA-N -1 3 371.419 0.270 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)NC[C@@H](C)c2ccccn2)cn1C ZINC000617079732 492154598 /nfs/dbraw/zinc/15/45/98/492154598.db2.gz WVIURYGILZBIGS-LLVKDONJSA-N -1 3 351.432 0.322 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)NCCc2noc3ccccc32)c1 ZINC000617088940 492155084 /nfs/dbraw/zinc/15/50/84/492155084.db2.gz FXQOAZGZQVPLEN-UHFFFAOYSA-N -1 3 363.399 0.199 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]CCc2nccnc2C)on1 ZINC000599313079 492158904 /nfs/dbraw/zinc/15/89/04/492158904.db2.gz DFSQEDITYJDESP-UHFFFAOYSA-N -1 3 354.388 0.612 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@H]2CCN(C(C)(C)C)C2=O)on1 ZINC000599335536 492162057 /nfs/dbraw/zinc/16/20/57/492162057.db2.gz VYBBDHDHDZYKLL-NSHDSACASA-N -1 3 373.431 0.670 10 0 FCAEHM COc1cc(C(=O)[N-]c2nnc(C3CC3)n2C)sc1S(N)(=O)=O ZINC000617286381 492163425 /nfs/dbraw/zinc/16/34/25/492163425.db2.gz MQMWQYGTULPKPQ-UHFFFAOYSA-N -1 3 357.417 0.662 10 0 FCAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C[C@@H](O)[C@H]1CCCO1 ZINC000599391744 492167207 /nfs/dbraw/zinc/16/72/07/492167207.db2.gz LCMIPRTTZRYUTP-OPRDCNLKSA-N -1 3 363.354 0.330 10 0 FCAEHM C[C@H]1C[C@@H](NC(=O)C[N-]S(=O)(=O)c2ccccc2F)c2ncnn21 ZINC000617427796 492168043 /nfs/dbraw/zinc/16/80/43/492168043.db2.gz MCCUOHREYHEVDA-GXSJLCMTSA-N -1 3 353.379 0.518 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@H]1C[C@H](C)n2ncnc21 ZINC000617427695 492168123 /nfs/dbraw/zinc/16/81/23/492168123.db2.gz LJJMXQTXEYFRRE-NHCYSSNCSA-N -1 3 367.406 0.906 10 0 FCAEHM C[C@H]1C[C@H](NC(=O)CC[N-]S(=O)(=O)c2cccs2)c2ncnn21 ZINC000617428466 492168188 /nfs/dbraw/zinc/16/81/88/492168188.db2.gz SVDARQKZECOPEI-UWVGGRQHSA-N -1 3 355.445 0.830 10 0 FCAEHM C[C@H]1C[C@@H](NC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)c2ncnn21 ZINC000617428722 492168207 /nfs/dbraw/zinc/16/82/07/492168207.db2.gz WKDITZOASPODFQ-GXFFZTMASA-N -1 3 354.370 0.906 10 0 FCAEHM COC(=O)[C@H](Cc1cccc(OC)c1)[N-]S(=O)(=O)N1CC[C@@H](C)C1 ZINC000599404915 492168895 /nfs/dbraw/zinc/16/88/95/492168895.db2.gz QXCNKINGFZULNG-DOMZBBRYSA-N -1 3 356.444 0.956 10 0 FCAEHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1COCCN1C ZINC000599454511 492174789 /nfs/dbraw/zinc/17/47/89/492174789.db2.gz PHOVJPIZFPCUIY-LLVKDONJSA-N -1 3 362.835 0.736 10 0 FCAEHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@H]2COCCN2C)c1 ZINC000599454837 492174901 /nfs/dbraw/zinc/17/49/01/492174901.db2.gz WSWWWXDEUZKFHF-ZDUSSCGKSA-N -1 3 360.407 0.611 10 0 FCAEHM CCn1cc(S(=O)(=O)[N-][C@@H](C[C@H]2CCCOC2)C(=O)OC)nc1C ZINC000599457830 492175389 /nfs/dbraw/zinc/17/53/89/492175389.db2.gz WKLVKZRCEQZNII-OLZOCXBDSA-N -1 3 359.448 0.848 10 0 FCAEHM COC(=O)[C@@H](C[C@H]1CCCOC1)[N-]S(=O)(=O)N1CCOC(C)(C)C1 ZINC000599456504 492175484 /nfs/dbraw/zinc/17/54/84/492175484.db2.gz MMECMACOLLNOCM-CHWSQXEVSA-N -1 3 364.464 0.290 10 0 FCAEHM COC(=O)CCNC(=O)CC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000599476323 492178176 /nfs/dbraw/zinc/17/81/76/492178176.db2.gz OYPOYJZGVVCRTH-UHFFFAOYSA-N -1 3 354.837 0.749 10 0 FCAEHM COC(=O)CCN(C)S(=O)(=O)[N-]C1(c2cc(C)no2)CCOCC1 ZINC000599515064 492182792 /nfs/dbraw/zinc/18/27/92/492182792.db2.gz POYWTZACXWDHAG-UHFFFAOYSA-N -1 3 361.420 0.318 10 0 FCAEHM COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)[N-][C@@H]1CCN(C2CCC2)C1=O ZINC000599523661 492183445 /nfs/dbraw/zinc/18/34/45/492183445.db2.gz CPOXSNLDJRRBQC-MCIONIFRSA-N -1 3 358.460 0.791 10 0 FCAEHM CO[C@@]1(CO)CCCN(C(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)C1 ZINC000617795203 492192202 /nfs/dbraw/zinc/19/22/02/492192202.db2.gz UPNHWJOTTNDHBS-RISCZKNCSA-N -1 3 362.473 0.415 10 0 FCAEHM COC(=O)[C@@H](CNC(=O)CC[C@@H]1NC(=O)[N-]C1=O)Cc1cccc(F)c1 ZINC000609266106 492201064 /nfs/dbraw/zinc/20/10/64/492201064.db2.gz GEOLWXNTAGNQIN-YPMHNXCESA-N -1 3 365.361 0.262 10 0 FCAEHM COC(=O)[C@H](CNC(=O)CC[C@H]1NC(=O)[N-]C1=O)Cc1cccc(F)c1 ZINC000609266103 492201088 /nfs/dbraw/zinc/20/10/88/492201088.db2.gz GEOLWXNTAGNQIN-WCQYABFASA-N -1 3 365.361 0.262 10 0 FCAEHM COCc1n[nH]c(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])n1 ZINC000617935619 492205911 /nfs/dbraw/zinc/20/59/11/492205911.db2.gz JFRWWVLXLZNNFZ-LBPRGKRZSA-N -1 3 359.386 0.578 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCCO[C@H]1CC1(F)F ZINC000618123451 492211096 /nfs/dbraw/zinc/21/10/96/492211096.db2.gz JMFXVDRMDGLMRW-ZETCQYMHSA-N -1 3 368.134 0.252 10 0 FCAEHM C[C@@]1(c2cccc(C(=O)NCCO[C@H]3CC3(F)F)c2)NC(=O)[N-]C1=O ZINC000618131637 492211357 /nfs/dbraw/zinc/21/13/57/492211357.db2.gz ISJCMLUUTFIBAK-NHYWBVRUSA-N -1 3 353.325 0.895 10 0 FCAEHM COC(=O)c1cnn(CC(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)c1 ZINC000599956509 492222351 /nfs/dbraw/zinc/22/23/51/492222351.db2.gz XOBMYCFSOHTETH-UHFFFAOYSA-N -1 3 359.342 0.204 10 0 FCAEHM C[C@H]1CC[C@@H](NC(=O)C[N-]S(=O)(=O)c2cccs2)CS1(=O)=O ZINC000618315375 492223452 /nfs/dbraw/zinc/22/34/52/492223452.db2.gz SWXIYEQOKSTMDG-VHSXEESVSA-N -1 3 366.486 0.108 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]CCC2CS(=O)(=O)C2)cc1F ZINC000618371800 492226717 /nfs/dbraw/zinc/22/67/17/492226717.db2.gz VNJKRNBZKBWUIB-UHFFFAOYSA-N -1 3 365.404 0.325 10 0 FCAEHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@H](C)Cn2cncn2)s1 ZINC000618539807 492230673 /nfs/dbraw/zinc/23/06/73/492230673.db2.gz POWHADGGBITTFM-NXEZZACHSA-N -1 3 357.461 0.904 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)NC[C@@]2(C)CC2(F)F)cn1C ZINC000618604697 492232236 /nfs/dbraw/zinc/23/22/36/492232236.db2.gz GTFAUCPXIHSCLR-GFCCVEGCSA-N -1 3 350.391 0.558 10 0 FCAEHM C[C@@]1(CNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)CC1(F)F ZINC000618610195 492232614 /nfs/dbraw/zinc/23/26/14/492232614.db2.gz DERINMXKAWDPGM-JTQLQIEISA-N -1 3 352.135 0.873 10 0 FCAEHM C[C@]12COC[C@H]1CN(C(=O)CNC(=O)c1c[n-]c3ccccc3c1=O)C2 ZINC000618721715 492236627 /nfs/dbraw/zinc/23/66/27/492236627.db2.gz HBCVAVXKUYUYNN-BLVKFPJESA-N -1 3 355.394 0.753 10 0 FCAEHM CCOC(=O)c1[n-]c(C)nc1NC(=O)CN1C(=O)N[C@](C)(CC)C1=O ZINC000610231194 492237242 /nfs/dbraw/zinc/23/72/42/492237242.db2.gz BASTYZPHCCJGGI-OAHLLOKOSA-N -1 3 351.363 0.554 10 0 FCAEHM CCOC(=O)c1nc(C)[n-]c1NC(=O)CN1C(=O)N[C@](C)(CC)C1=O ZINC000610231194 492237243 /nfs/dbraw/zinc/23/72/43/492237243.db2.gz BASTYZPHCCJGGI-OAHLLOKOSA-N -1 3 351.363 0.554 10 0 FCAEHM COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)CC[C@H]1NC(=O)[N-]C1=O ZINC000610397893 492244484 /nfs/dbraw/zinc/24/44/84/492244484.db2.gz CZTDZGUNMJJHBA-MJBXVCDLSA-N -1 3 365.430 0.945 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[C@@H](C)O[C@@H](C)C2)cn1C ZINC000619119829 492250811 /nfs/dbraw/zinc/25/08/11/492250811.db2.gz BBFAEZUJMCAYFI-NEPJUHHUSA-N -1 3 358.464 0.423 10 0 FCAEHM CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3cc(NC(C)=O)ccc3[O-])C[C@H]21 ZINC000619222614 492254034 /nfs/dbraw/zinc/25/40/34/492254034.db2.gz CTRRPHCOIGTILG-CFVMTHIKSA-N -1 3 368.411 0.235 10 0 FCAEHM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-][C@@H]2CCCN(C)C2)c1 ZINC000611015677 492274901 /nfs/dbraw/zinc/27/49/01/492274901.db2.gz BRNOSAGYLZHLRM-GFCCVEGCSA-N -1 3 370.427 0.632 10 0 FCAEHM CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)C1 ZINC000619988261 492285748 /nfs/dbraw/zinc/28/57/48/492285748.db2.gz VAMWGBURWVJGAR-CQSZACIVSA-N -1 3 368.459 0.886 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)N1CC[C@H]2COC[C@H]2C1 ZINC000620149631 492296326 /nfs/dbraw/zinc/29/63/26/492296326.db2.gz CHQNKQVPPMPINH-QWHCGFSZSA-N -1 3 355.394 0.753 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccc(F)c(F)c1)N1CCC2(COC2)C1 ZINC000620299357 492302747 /nfs/dbraw/zinc/30/27/47/492302747.db2.gz DMLVXMPZYFPWOG-UHFFFAOYSA-N -1 3 360.382 0.882 10 0 FCAEHM COCC[C@@H](COC)NC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000641779065 492304501 /nfs/dbraw/zinc/30/45/01/492304501.db2.gz ZRMHMTRBBPCQEL-HNNXBMFYSA-N -1 3 365.430 0.911 10 0 FCAEHM CN(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)Cc1ccccc1 ZINC000647578520 492321757 /nfs/dbraw/zinc/32/17/57/492321757.db2.gz QMRJGBWVIXSGPL-XHSDSOJGSA-N -1 3 361.442 0.645 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H]2CCCCN(C)C2=O)c(C)o1 ZINC000634141579 492321944 /nfs/dbraw/zinc/32/19/44/492321944.db2.gz XUTOWUKSWFWKJX-GFCCVEGCSA-N -1 3 357.432 0.579 10 0 FCAEHM Cc1cc(S(=O)(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)ccc1C(=O)[O-] ZINC000647606701 492333806 /nfs/dbraw/zinc/33/38/06/492333806.db2.gz JGDXXDLJVSWJKH-LBPRGKRZSA-N -1 3 369.443 0.434 10 0 FCAEHM CN(CCO)Cc1cc(NC(=O)CN2CC(=O)[N-]C2=O)ccc1Cl ZINC000647657673 492342136 /nfs/dbraw/zinc/34/21/36/492342136.db2.gz ONIWCGRQFPTAHJ-UHFFFAOYSA-N -1 3 354.794 0.254 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@H](c2ccccc2)[C@H](C)O)cn1C ZINC000620986402 492349480 /nfs/dbraw/zinc/34/94/80/492349480.db2.gz DSCYFQCVTIQQPP-ZBEGNZNMSA-N -1 3 366.443 0.245 10 0 FCAEHM Cn1cc(C(C)(C)[N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)nn1 ZINC000634658300 492359378 /nfs/dbraw/zinc/35/93/78/492359378.db2.gz BKGJDMDAQGRAJR-UHFFFAOYSA-N -1 3 352.342 0.781 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N1CC(CN2CCOCC2)C1 ZINC000647805751 492363165 /nfs/dbraw/zinc/36/31/65/492363165.db2.gz CCZRPMSKBHURIK-UHFFFAOYSA-N -1 3 372.425 0.283 10 0 FCAEHM Cc1cc([C@H]2CN(Cc3cc(=O)n4nc(N)[n-]c4n3)CCO2)ccc1F ZINC000621271491 492367853 /nfs/dbraw/zinc/36/78/53/492367853.db2.gz JQAYAQJSVOAKKD-CQSZACIVSA-N -1 3 358.377 0.851 10 0 FCAEHM CC(C(=O)N1CCSC[C@H](C(=O)[O-])C1)S(=O)(=O)C1CCOCC1 ZINC000621605791 492396045 /nfs/dbraw/zinc/39/60/45/492396045.db2.gz JGXQYNKFIIHNEE-WDEREUQCSA-N -1 3 365.473 0.245 10 0 FCAEHM CC(C(=O)N1CCSC[C@@H](C(=O)[O-])C1)S(=O)(=O)C1CCOCC1 ZINC000621605790 492396275 /nfs/dbraw/zinc/39/62/75/492396275.db2.gz JGXQYNKFIIHNEE-QWRGUYRKSA-N -1 3 365.473 0.245 10 0 FCAEHM Cn1ncnc1CCCNC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000627899481 492416601 /nfs/dbraw/zinc/41/66/01/492416601.db2.gz IRVYDYHGNVFLAL-UHFFFAOYSA-N -1 3 355.395 0.688 10 0 FCAEHM O=C(NC[C@]1(O)CCS(=O)(=O)C1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622075840 492451565 /nfs/dbraw/zinc/45/15/65/492451565.db2.gz MOZDFEJGBWSPRA-GFCCVEGCSA-N -1 3 353.318 0.690 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-][C@H]2CCc3ccccc3NC2=O)C[C@H](C)O1 ZINC000655629133 492467202 /nfs/dbraw/zinc/46/72/02/492467202.db2.gz ZSTHPJHFTUTECD-ZOWXZIJZSA-N -1 3 353.444 0.884 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CCO[C@]2(CCSC2)C1 ZINC000648956028 492479515 /nfs/dbraw/zinc/47/95/15/492479515.db2.gz RMSXDPYGXSGYLZ-CYBMUJFWSA-N -1 3 362.498 0.761 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(=O)n(CCO)c2)cc1 ZINC000622737544 492486113 /nfs/dbraw/zinc/48/61/13/492486113.db2.gz CMJVVTBKMJGSOB-UHFFFAOYSA-N -1 3 351.384 0.464 10 0 FCAEHM COc1cc(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)cc(OC)c1[O-] ZINC000649073397 492489828 /nfs/dbraw/zinc/48/98/28/492489828.db2.gz WDRVZOBCVDDNBR-LLVKDONJSA-N -1 3 351.403 0.601 10 0 FCAEHM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000649076045 492492218 /nfs/dbraw/zinc/49/22/18/492492218.db2.gz PCGLHVWAAIDNFO-CYBMUJFWSA-N -1 3 374.445 0.173 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H]1Cc2cncn2C1 ZINC000623264188 492534976 /nfs/dbraw/zinc/53/49/76/492534976.db2.gz IDQCHDBOVZLDHA-WDEREUQCSA-N -1 3 352.391 0.430 10 0 FCAEHM COc1ncc(Br)cc1CNC(=O)CC[C@@H]1NC(=O)[N-]C1=O ZINC000628794587 492548146 /nfs/dbraw/zinc/54/81/46/492548146.db2.gz MNAUNBFOXHNWGP-VIFPVBQESA-N -1 3 371.191 0.457 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@@]2(CO)CCCC(C)(C)C2)cn1C ZINC000628805527 492551800 /nfs/dbraw/zinc/55/18/00/492551800.db2.gz NFMWGGRKLXGNHD-INIZCTEOSA-N -1 3 372.491 0.454 10 0 FCAEHM COc1cc2[n-]cc(C(=O)NC[C@@H]3COCCN3C)c(=O)c2c(OC)c1 ZINC000628911417 492561579 /nfs/dbraw/zinc/56/15/79/492561579.db2.gz BTGUODBKHBEZOD-LLVKDONJSA-N -1 3 361.398 0.606 10 0 FCAEHM COc1cc2ncc(C(=O)NC[C@@H]3COCCN3C)c([O-])c2c(OC)c1 ZINC000628911417 492561580 /nfs/dbraw/zinc/56/15/80/492561580.db2.gz BTGUODBKHBEZOD-LLVKDONJSA-N -1 3 361.398 0.606 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)cn1C ZINC000628949363 492570354 /nfs/dbraw/zinc/57/03/54/492570354.db2.gz MVNIIJYMKGRBIC-VEABSNGSSA-N -1 3 358.464 0.325 10 0 FCAEHM CC(C)(CNC(=O)C[N-]S(=O)(=O)c1cccs1)C(=O)N1CCCC1 ZINC000629065795 492576055 /nfs/dbraw/zinc/57/60/55/492576055.db2.gz URGMKJDDTJGSNZ-UHFFFAOYSA-N -1 3 373.500 0.791 10 0 FCAEHM COc1cccc2c1CN(C(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1)C2 ZINC000629115925 492578581 /nfs/dbraw/zinc/57/85/81/492578581.db2.gz MLSYBUVZDVWNSC-UHFFFAOYSA-N -1 3 364.427 0.558 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629211713 492591278 /nfs/dbraw/zinc/59/12/78/492591278.db2.gz TUZLRTMWBNXBHX-OKILXGFUSA-N -1 3 369.425 0.795 10 0 FCAEHM C[C@H](Sc1nc2c(cnn2C)c(=O)[n-]1)C(=O)N(C)CC(=O)NC1CC1 ZINC000629216730 492592266 /nfs/dbraw/zinc/59/22/66/492592266.db2.gz KFDJCHQZILPDQQ-QMMMGPOBSA-N -1 3 364.431 0.287 10 0 FCAEHM CCO[C@@H](CS(=O)(=O)[N-]c1cccc(C(=O)NCC(N)=O)c1)C1CC1 ZINC000629291187 492602524 /nfs/dbraw/zinc/60/25/24/492602524.db2.gz NPALDAKXIOFKPN-AWEZNQCLSA-N -1 3 369.443 0.459 10 0 FCAEHM COc1cc(-c2noc(CN3CCN(C(C)(C)C(=O)[O-])CC3)n2)ncn1 ZINC000629362798 492617663 /nfs/dbraw/zinc/61/76/63/492617663.db2.gz CWYFFPOXLSGCMX-UHFFFAOYSA-N -1 3 362.390 0.516 10 0 FCAEHM O=C1N[C@@H](CCF)C(=O)N1CC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000650270905 492626665 /nfs/dbraw/zinc/62/66/65/492626665.db2.gz KPFPVIXRGSTTAB-JTQLQIEISA-N -1 3 365.333 0.523 10 0 FCAEHM CC(C)CN1CCO[C@H](CNC(=O)CN2CC[C@@H](C(=O)[O-])[C@H](C)C2)C1 ZINC000629496436 492636521 /nfs/dbraw/zinc/63/65/21/492636521.db2.gz TWMWAMLPWDLJJC-BZUAXINKSA-N -1 3 355.479 0.502 10 0 FCAEHM C[C@]1(C[C@@H]2CCCN2C(=O)C[C@H](O)Cc2ccccc2)NC(=O)[N-]C1=O ZINC000644127263 492650682 /nfs/dbraw/zinc/65/06/82/492650682.db2.gz LQWYXEDVLBMJQO-QMTMVMCOSA-N -1 3 359.426 0.959 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]C[C@@H]1COc2ccccc2O1)[C@@H]1CCOC1 ZINC000656862119 492653491 /nfs/dbraw/zinc/65/34/91/492653491.db2.gz ZBGPQXDBDRLZOL-XJKCOSOUSA-N -1 3 357.428 0.797 10 0 FCAEHM C[C@@H]1C[C@H]1NS(=O)(=O)c1cccc(S(=O)(=O)[N-]CC(F)F)c1 ZINC000629620808 492659789 /nfs/dbraw/zinc/65/97/89/492659789.db2.gz JISAIOWYFYLCOT-LDYMZIIASA-N -1 3 354.400 0.917 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@H]1CCN(c2ccccc2)C1=O)[C@H]1CCOC1 ZINC000656896908 492662194 /nfs/dbraw/zinc/66/21/94/492662194.db2.gz FNCCZECSDBPGPP-CWRNSKLLSA-N -1 3 368.455 0.763 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]Cc1n[nH]cc1Br)[C@H]1CCOC1 ZINC000656898719 492663097 /nfs/dbraw/zinc/66/30/97/492663097.db2.gz WDYXKKJZXGIPJL-GZMMTYOYSA-N -1 3 368.253 0.643 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@@H](C(N)=O)c1ccc(F)cc1)[C@@H]1CCOC1 ZINC000656963421 492680600 /nfs/dbraw/zinc/68/06/00/492680600.db2.gz OBBIEOIFSKNVSR-MRVWCRGKSA-N -1 3 360.407 0.323 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]CC1(S(C)(=O)=O)CCCC1)[C@@H]1CCOC1 ZINC000656989601 492688246 /nfs/dbraw/zinc/68/82/46/492688246.db2.gz FIYGCJCOAGLYRW-OLZOCXBDSA-N -1 3 369.505 0.315 10 0 FCAEHM CNS(=O)(=O)C[C@@H]1CCCN(C(=O)c2cc(OC)c([O-])c(OC)c2)C1 ZINC000629891901 492697019 /nfs/dbraw/zinc/69/70/19/492697019.db2.gz XAMYOJBBJJHCDP-LLVKDONJSA-N -1 3 372.443 0.811 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@H]1CCc2ccccc2NC1=O)[C@H]1CCOC1 ZINC000657024541 492697964 /nfs/dbraw/zinc/69/79/64/492697964.db2.gz YINPYSCFQQPOJP-CWRNSKLLSA-N -1 3 368.455 0.911 10 0 FCAEHM COC[C@@]1(C)CN(C(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)CCO1 ZINC000629901715 492698479 /nfs/dbraw/zinc/69/84/79/492698479.db2.gz SNMOQODNLKZHOM-MSOLQXFVSA-N -1 3 361.398 0.619 10 0 FCAEHM CO[C@@H](C[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C)[C@H]1CCOC1 ZINC000657045720 492703318 /nfs/dbraw/zinc/70/33/18/492703318.db2.gz VVNFLJNXIBWMEG-RYUDHWBXSA-N -1 3 360.432 0.620 10 0 FCAEHM C[C@@]1(c2ccc(C(=O)N[C@@H]3CCN(C4CCC4)C3=O)cc2)NC(=O)[N-]C1=O ZINC000629923550 492705492 /nfs/dbraw/zinc/70/54/92/492705492.db2.gz DMCJOEWRYPVEHA-KUHUBIRLSA-N -1 3 370.409 0.624 10 0 FCAEHM CC1(C)C[C@@H](S(=O)(=O)NCCCNC(=O)c2cccc([O-])c2)CO1 ZINC000624992081 492707350 /nfs/dbraw/zinc/70/73/50/492707350.db2.gz JZIMXNGPPNWJML-CQSZACIVSA-N -1 3 356.444 0.999 10 0 FCAEHM O=C(CNC(=O)COCC(F)F)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC000629952948 492707702 /nfs/dbraw/zinc/70/77/02/492707702.db2.gz RCRZJZNAGNICRE-UHFFFAOYSA-N -1 3 356.285 0.377 10 0 FCAEHM O=C(CNC(=O)COCC(F)F)Nc1cccc2c(=O)[n-][nH]c(=O)c12 ZINC000629952948 492707704 /nfs/dbraw/zinc/70/77/04/492707704.db2.gz RCRZJZNAGNICRE-UHFFFAOYSA-N -1 3 356.285 0.377 10 0 FCAEHM CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H]1C[C@H](C)n2ncnc21 ZINC000657068622 492708044 /nfs/dbraw/zinc/70/80/44/492708044.db2.gz QNGBQUKQFNHLQJ-UWVGGRQHSA-N -1 3 371.444 0.171 10 0 FCAEHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)c2ncnn21 ZINC000657069483 492709114 /nfs/dbraw/zinc/70/91/14/492709114.db2.gz WNMSPKCVLQUIFH-PSASIEDQSA-N -1 3 357.417 0.061 10 0 FCAEHM NC(=O)c1coc(C[N-]S(=O)(=O)CCc2ccc3c(c2)CCO3)n1 ZINC000657072165 492709598 /nfs/dbraw/zinc/70/95/98/492709598.db2.gz YNQZKWDOULSMIZ-UHFFFAOYSA-N -1 3 351.384 0.371 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CCN2C[C@H](C)OC[C@H]2C)coc1C(=O)N(C)C ZINC000657092730 492715497 /nfs/dbraw/zinc/71/54/97/492715497.db2.gz WLFRDKVKGDLLGN-NEPJUHHUSA-N -1 3 373.475 0.677 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CCN2C[C@@H](C)OC[C@@H]2C)coc1C(=O)N(C)C ZINC000657092733 492715506 /nfs/dbraw/zinc/71/55/06/492715506.db2.gz WLFRDKVKGDLLGN-NWDGAFQWSA-N -1 3 373.475 0.677 10 0 FCAEHM CO[C@@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000657099481 492718668 /nfs/dbraw/zinc/71/86/68/492718668.db2.gz FLHYVRPMGHMQSH-HTQZYQBOSA-N -1 3 374.362 0.191 10 0 FCAEHM CO[C@@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000657101419 492720883 /nfs/dbraw/zinc/72/08/83/492720883.db2.gz SFMMDEUNYYOLHK-RKDXNWHRSA-N -1 3 374.362 0.191 10 0 FCAEHM CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]C[C@H](C)S(C)(=O)=O ZINC000625087391 492721633 /nfs/dbraw/zinc/72/16/33/492721633.db2.gz VKLCWNOWPMLEGA-SMDDNHRTSA-N -1 3 367.464 0.736 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-]C[C@@H]2CCCCS2(=O)=O)CCOCC1 ZINC000625122462 492726736 /nfs/dbraw/zinc/72/67/36/492726736.db2.gz MVCAGOSRUGKPQP-ZDUSSCGKSA-N -1 3 369.505 0.459 10 0 FCAEHM CCO[C@H]1COCC[C@H]1[N-]S(=O)(=O)CC1(OCC)CCOCC1 ZINC000625122312 492727205 /nfs/dbraw/zinc/72/72/05/492727205.db2.gz WQQKSYHVBJYKKH-KGLIPLIRSA-N -1 3 351.465 0.686 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N3CCC[C@H](CCF)C3)cnc21 ZINC000657163134 492735083 /nfs/dbraw/zinc/73/50/83/492735083.db2.gz YNPHIQBZSRFIOB-SNVBAGLBSA-N -1 3 370.406 0.794 10 0 FCAEHM CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-][C@H]1C(=O)NCC[C@@H]1C ZINC000625185038 492735827 /nfs/dbraw/zinc/73/58/27/492735827.db2.gz TZKXZTLAGABUFZ-NILFDRSVSA-N -1 3 358.435 0.827 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]CCS(=O)(=O)N(C)C)c1ccc(F)cc1 ZINC000625221565 492740840 /nfs/dbraw/zinc/74/08/40/492740840.db2.gz IPDMILRXMVEPNH-ZDUSSCGKSA-N -1 3 368.452 0.324 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-][C@@H](COC)C2CCOCC2)CCOCC1 ZINC000625274188 492750049 /nfs/dbraw/zinc/75/00/49/492750049.db2.gz LIOQWFUJXFCCSE-HNNXBMFYSA-N -1 3 365.492 0.933 10 0 FCAEHM Cc1nc(COC(C)(C)C)oc1C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000651437903 492757971 /nfs/dbraw/zinc/75/79/71/492757971.db2.gz NTORYYKADRHWGE-JTQLQIEISA-N -1 3 350.375 0.674 10 0 FCAEHM Cc1cc(CS(=O)(=O)[N-]C[C@@]2(CO)COCC3(CCC3)N2C)on1 ZINC000625376640 492767901 /nfs/dbraw/zinc/76/79/01/492767901.db2.gz KUECJQCTXNPYSR-OAHLLOKOSA-N -1 3 359.448 0.018 10 0 FCAEHM CN1CCN(CCCNC(=O)CCc2nnn[n-]2)[C@@H](c2ccccc2)C1 ZINC000630715780 492768873 /nfs/dbraw/zinc/76/88/73/492768873.db2.gz QMGYYOOKTQNUFU-MRXNPFEDSA-N -1 3 357.462 0.627 10 0 FCAEHM CN1CCN(CCCNC(=O)CCc2nn[n-]n2)[C@@H](c2ccccc2)C1 ZINC000630715780 492768877 /nfs/dbraw/zinc/76/88/77/492768877.db2.gz QMGYYOOKTQNUFU-MRXNPFEDSA-N -1 3 357.462 0.627 10 0 FCAEHM CN1CCN(CCCNC(=O)CCc2nnn[n-]2)[C@H](c2ccccc2)C1 ZINC000630715779 492768904 /nfs/dbraw/zinc/76/89/04/492768904.db2.gz QMGYYOOKTQNUFU-INIZCTEOSA-N -1 3 357.462 0.627 10 0 FCAEHM CN1CCN(CCCNC(=O)CCc2nn[n-]n2)[C@H](c2ccccc2)C1 ZINC000630715779 492768910 /nfs/dbraw/zinc/76/89/10/492768910.db2.gz QMGYYOOKTQNUFU-INIZCTEOSA-N -1 3 357.462 0.627 10 0 FCAEHM CC(C)n1cnc(=NC(=O)C(=O)NC[C@@]2(N(C)C)CCC[C@H](C)C2)[n-]1 ZINC000651530768 492775107 /nfs/dbraw/zinc/77/51/07/492775107.db2.gz GUADJAWOGSSBCH-SUMWQHHRSA-N -1 3 350.467 0.846 10 0 FCAEHM C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]CC1(OCCO)CCC(F)(F)CC1 ZINC000625409880 492776565 /nfs/dbraw/zinc/77/65/65/492776565.db2.gz QMWCRURVDBMXCL-NSHDSACASA-N -1 3 372.434 0.340 10 0 FCAEHM C[C@]1(c2ccc(CNC(=O)C3(N4CCOCC4)CC3)cc2)NC(=O)[N-]C1=O ZINC000630888731 492781205 /nfs/dbraw/zinc/78/12/05/492781205.db2.gz HDRCQLMDPQHBGE-GOSISDBHSA-N -1 3 372.425 0.222 10 0 FCAEHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H]2C[C@H](C(N)=O)C2)cc1Cl ZINC000625428320 492781187 /nfs/dbraw/zinc/78/11/87/492781187.db2.gz XNRNHWFTVNQLHM-ZKCHVHJHSA-N -1 3 363.798 0.980 10 0 FCAEHM O=C1[C@@H]([N-]S(=O)(=O)N2CCCOCC2)CCCN1c1ccccc1 ZINC000651561079 492782575 /nfs/dbraw/zinc/78/25/75/492782575.db2.gz ZSPWUQWFCKXUJE-HNNXBMFYSA-N -1 3 353.444 0.739 10 0 FCAEHM CS(=O)(=O)N1CC[C@@H](CN=c2cc(-c3ccccc3)n3[n-]cnc3n2)C1 ZINC000631179450 492802537 /nfs/dbraw/zinc/80/25/37/492802537.db2.gz SDLPCONBGRRSLS-ZDUSSCGKSA-N -1 3 372.454 0.907 10 0 FCAEHM COc1ccc(Cn2[n-]nnc2=N[C@@H](C)CCN2CCN(C)CC2)cc1 ZINC000631212434 492804295 /nfs/dbraw/zinc/80/42/95/492804295.db2.gz KGFFGTKMNNKIHO-HNNXBMFYSA-N -1 3 359.478 0.590 10 0 FCAEHM CC(=O)N1CCc2sc(S(=O)(=O)[N-]C[C@H]3COCCN3C)cc2C1 ZINC000625515927 492806368 /nfs/dbraw/zinc/80/63/68/492806368.db2.gz LMOLZTPVCXDRSL-ZDUSSCGKSA-N -1 3 373.500 0.262 10 0 FCAEHM COC1(CS(=O)(=O)[N-][C@@H](C2CC2)[C@]2(CO)CCCO2)CCOCC1 ZINC000651720670 492812444 /nfs/dbraw/zinc/81/24/44/492812444.db2.gz HKHSZNRZVQIZJG-GOEBONIOSA-N -1 3 363.476 0.422 10 0 FCAEHM OCCO[C@]1(CN=c2cc(-c3ccccc3)n3[n-]cnc3n2)CCOC1 ZINC000631364176 492815099 /nfs/dbraw/zinc/81/50/99/492815099.db2.gz KRVRADPFIHWUNG-SFHVURJKSA-N -1 3 355.398 0.793 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCO[C@H](CCF)C1 ZINC000625551103 492817418 /nfs/dbraw/zinc/81/74/18/492817418.db2.gz CGRCHWSFLHUWKH-LLVKDONJSA-N -1 3 366.436 0.344 10 0 FCAEHM CCc1ccncc1NC(=O)C(=O)N1CCC[C@H]1C[C@@]1(C)NC(=O)[N-]C1=O ZINC000651791040 492823077 /nfs/dbraw/zinc/82/30/77/492823077.db2.gz VOVBNXNQILYZKV-KPZWWZAWSA-N -1 3 373.413 0.562 10 0 FCAEHM Cc1cnc(C)c(NC(=O)C(=O)N2CCC[C@H]2C[C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000651791108 492824257 /nfs/dbraw/zinc/82/42/57/492824257.db2.gz YFMRALKGIYSPQB-SGTLLEGYSA-N -1 3 373.413 0.616 10 0 FCAEHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@@H](C2CC2)C2CCOCC2)cn1 ZINC000651821432 492828760 /nfs/dbraw/zinc/82/87/60/492828760.db2.gz OBHICGCRISTPAF-HNNXBMFYSA-N -1 3 374.484 0.969 10 0 FCAEHM Cc1cccc(C)c1NC(=O)C[N-]S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000631656364 492830128 /nfs/dbraw/zinc/83/01/28/492830128.db2.gz QNBGINIEBRIWCQ-AWEZNQCLSA-N -1 3 365.455 0.925 10 0 FCAEHM CCNC(=O)[C@H](C)[N-]S(=O)(=O)Cc1ncsc1Br ZINC000631674114 492833496 /nfs/dbraw/zinc/83/34/96/492833496.db2.gz KGRYAWVTWJOOPM-LURJTMIESA-N -1 3 356.267 0.850 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@H]1CN(Cc2ccncc2)CCO1 ZINC000625618695 492841922 /nfs/dbraw/zinc/84/19/22/492841922.db2.gz FHGDTQVQCOBFKU-HNNXBMFYSA-N -1 3 366.443 0.866 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CC[C@]2(O)CCCOC2)coc1C(=O)N(C)C ZINC000651913035 492845781 /nfs/dbraw/zinc/84/57/81/492845781.db2.gz KZDPXVPSYQMMGD-OAHLLOKOSA-N -1 3 360.432 0.500 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]CC(=O)N1CCCCC1 ZINC000631745921 492846854 /nfs/dbraw/zinc/84/68/54/492846854.db2.gz WWWSYXYVUWPDDK-UHFFFAOYSA-N -1 3 354.354 0.730 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]CCc1nnc2n1CCC2 ZINC000631786748 492853037 /nfs/dbraw/zinc/85/30/37/492853037.db2.gz DJZFYQZLZQRRFF-UHFFFAOYSA-N -1 3 364.353 0.498 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CCN(C)CC(F)F)coc1C(=O)N(C)C ZINC000625673025 492856121 /nfs/dbraw/zinc/85/61/21/492856121.db2.gz KTZMTHNPMAFSIC-UHFFFAOYSA-N -1 3 353.391 0.765 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)NC[C@H]3CCCC34CC4)cnc21 ZINC000625669947 492856313 /nfs/dbraw/zinc/85/63/13/492856313.db2.gz GGBRGVDDCOBEBZ-SNVBAGLBSA-N -1 3 364.427 0.893 10 0 FCAEHM O=c1[nH]cc(S(=O)(=O)[N-][C@H]2CCN(Cc3ccccc3)C2=O)s1 ZINC000631813640 492857779 /nfs/dbraw/zinc/85/77/79/492857779.db2.gz QVVCLKUMXGHHTM-NSHDSACASA-N -1 3 353.425 0.928 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1CCN(C2CCC2)C1=O ZINC000625693141 492863116 /nfs/dbraw/zinc/86/31/16/492863116.db2.gz QBZAHODQKUYQEM-GFCCVEGCSA-N -1 3 372.468 0.522 10 0 FCAEHM CCN1C[C@@H](S(=O)(=O)[N-]CC(=O)N2CCc3ccccc3C2)CC1=O ZINC000631881518 492869494 /nfs/dbraw/zinc/86/94/94/492869494.db2.gz BNKOSXNYACONDB-HNNXBMFYSA-N -1 3 365.455 0.112 10 0 FCAEHM CO[C@@]1(CO)CCCN(C(=O)C(=O)[N-]c2nccn2-c2ccccc2)C1 ZINC000658440574 492891632 /nfs/dbraw/zinc/89/16/32/492891632.db2.gz FBMDMBZWZZMTRB-SFHVURJKSA-N -1 3 358.398 0.811 10 0 FCAEHM Cc1nn2cc(Br)cnc2c1S(=O)(=O)[N-]CC[C@@H](C)O ZINC000632001072 492907466 /nfs/dbraw/zinc/90/74/66/492907466.db2.gz GPKSJBSQQFBXLS-SSDOTTSWSA-N -1 3 363.237 0.849 10 0 FCAEHM CC(C)COC[C@@H](O)C[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000632002158 492908233 /nfs/dbraw/zinc/90/82/33/492908233.db2.gz NKVWULTUFQKOOC-VIFPVBQESA-N -1 3 359.370 0.751 10 0 FCAEHM CCO[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C)c2)C1 ZINC000658481169 492909429 /nfs/dbraw/zinc/90/94/29/492909429.db2.gz JJWIMBRBFRTKTI-XYPYZODXSA-N -1 3 373.406 0.356 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]C2(C(N)=O)CCCCC2)coc1C(=O)N(C)C ZINC000645494133 492914011 /nfs/dbraw/zinc/91/40/11/492914011.db2.gz VUSPKDADZUNVEA-UHFFFAOYSA-N -1 3 357.432 0.756 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CC(=O)NC2CCCC2)coc1C(=O)N(C)C ZINC000645502190 492915103 /nfs/dbraw/zinc/91/51/03/492915103.db2.gz KLGAGRFWRDHRQC-UHFFFAOYSA-N -1 3 357.432 0.627 10 0 FCAEHM CCN1C[C@H](S(=O)(=O)[N-][C@H]2C[C@H](C)N(c3ccccc3)C2=O)CC1=O ZINC000632037114 492916192 /nfs/dbraw/zinc/91/61/92/492916192.db2.gz MMPVBJUQHPLFHB-CFVMTHIKSA-N -1 3 365.455 0.721 10 0 FCAEHM Cn1ccc(N2CCC[C@@H]([N-]S(=O)(=O)C[C@H]3CCC3(F)F)C2=O)n1 ZINC000632038141 492916595 /nfs/dbraw/zinc/91/65/95/492916595.db2.gz PTMYMLSAHMWEMD-GHMZBOCLSA-N -1 3 362.402 0.880 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CCC(=O)NC(C)(C)C)coc1C(=O)N(C)C ZINC000645516274 492918260 /nfs/dbraw/zinc/91/82/60/492918260.db2.gz NPEIHMZWFQMXML-UHFFFAOYSA-N -1 3 359.448 0.873 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CCOC[C@@H]2CCOC2)coc1C(=O)N(C)C ZINC000645528289 492920517 /nfs/dbraw/zinc/92/05/17/492920517.db2.gz SECAEFWWUUHDHC-GFCCVEGCSA-N -1 3 360.432 0.621 10 0 FCAEHM NS(=O)(=O)NC1CCN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)CC1 ZINC000626035804 492920760 /nfs/dbraw/zinc/92/07/60/492920760.db2.gz COZNBPVAPOOWAE-UHFFFAOYSA-N -1 3 363.443 0.607 10 0 FCAEHM Cc1cc(N2CC[C@@H]([N-]S(=O)(=O)CCC[C@H]3CCOC3)C2=O)n(C)n1 ZINC000645569404 492928365 /nfs/dbraw/zinc/92/83/65/492928365.db2.gz IZBBIBQQAOOILG-UONOGXRCSA-N -1 3 370.475 0.570 10 0 FCAEHM Cn1ccc(N2CCC[C@@H]([N-]S(=O)(=O)CCOCC3CCC3)C2=O)n1 ZINC000645567259 492928451 /nfs/dbraw/zinc/92/84/51/492928451.db2.gz MNLYAIJCUDKQKZ-CQSZACIVSA-N -1 3 370.475 0.652 10 0 FCAEHM O=C(NCCNC(=O)c1ccc([O-])cc1)c1cn(C[C@H]2CCOC2)nn1 ZINC000626191520 492945312 /nfs/dbraw/zinc/94/53/12/492945312.db2.gz OZHMWLGYFKXIPA-GFCCVEGCSA-N -1 3 359.386 0.180 10 0 FCAEHM Cc1nn2cc(Br)cnc2c1S(=O)(=O)[N-]C1(CO)CC1 ZINC000632181046 492945271 /nfs/dbraw/zinc/94/52/71/492945271.db2.gz SOTRDKUJPSKRDX-UHFFFAOYSA-N -1 3 361.221 0.603 10 0 FCAEHM CN(C)c1nccc(C[N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)n1 ZINC000632182900 492946779 /nfs/dbraw/zinc/94/67/79/492946779.db2.gz BFHVCDJCIJCGAS-UHFFFAOYSA-N -1 3 364.353 0.773 10 0 FCAEHM CCc1cc(S(=O)(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)c(C)cc1OC ZINC000632189167 492947275 /nfs/dbraw/zinc/94/72/75/492947275.db2.gz ZEWZJKJFFXEKFG-GFCCVEGCSA-N -1 3 367.427 0.491 10 0 FCAEHM COC1(CS(=O)(=O)[N-][C@H]2CCCN(Cc3nccn3C)C2=O)CCC1 ZINC000632201911 492949658 /nfs/dbraw/zinc/94/96/58/492949658.db2.gz ZZHUBPGTSXADQR-ZDUSSCGKSA-N -1 3 370.475 0.400 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@@H](C)CS(C)(=O)=O)coc1C(=O)N(C)C ZINC000645629862 492950593 /nfs/dbraw/zinc/95/05/93/492950593.db2.gz JCHRWRFPISVZKI-QMMMGPOBSA-N -1 3 352.434 0.001 10 0 FCAEHM CCN1C[C@@H](S(=O)(=O)[N-][C@H]2CCCN(c3cccnc3)C2=O)CC1=O ZINC000632203729 492950664 /nfs/dbraw/zinc/95/06/64/492950664.db2.gz VTEOLQYRAKCFAK-KBPBESRZSA-N -1 3 366.443 0.117 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CCCNC(=O)C(C)C)coc1C(=O)N(C)C ZINC000645630708 492950732 /nfs/dbraw/zinc/95/07/32/492950732.db2.gz DHECTSMXOGDGTP-UHFFFAOYSA-N -1 3 359.448 0.730 10 0 FCAEHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)C[C@@H](OC)C2CCOCC2)[C@H]1OC ZINC000645651535 492955051 /nfs/dbraw/zinc/95/50/51/492955051.db2.gz OPDGVPVZOIUJIK-GBJTYRQASA-N -1 3 351.465 0.540 10 0 FCAEHM COCCN1CC[C@@H]([N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)C1 ZINC000632255408 492959082 /nfs/dbraw/zinc/95/90/82/492959082.db2.gz RSUIPWWLVYLZOZ-SECBINFHSA-N -1 3 356.370 0.438 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]C[C@H](C)N2CCCCC2=O)coc1C(=O)N(C)C ZINC000645692483 492960882 /nfs/dbraw/zinc/96/08/82/492960882.db2.gz ZWZSSCGKRUBIPW-NSHDSACASA-N -1 3 371.459 0.969 10 0 FCAEHM COC[C@@H]([N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C)[C@@H]1CCCO1 ZINC000632287909 492966098 /nfs/dbraw/zinc/96/60/98/492966098.db2.gz AIAASJPPQLFQHB-ZJUUUORDSA-N -1 3 357.354 0.911 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]C[C@H](CO)[C@H]1CCOC1 ZINC000632298195 492967577 /nfs/dbraw/zinc/96/75/77/492967577.db2.gz FMBPCOUPHKPLDM-DTWKUNHWSA-N -1 3 357.354 0.362 10 0 FCAEHM CC[C@@H]([N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C)[C@@H](O)C(F)F ZINC000645744494 492969220 /nfs/dbraw/zinc/96/92/20/492969220.db2.gz YFFJVGMFMXGWSV-PSASIEDQSA-N -1 3 354.375 0.973 10 0 FCAEHM C[C@H]1CCNC(=O)[C@@H]1[N-]S(=O)(=O)Cc1ncsc1Br ZINC000632305526 492969264 /nfs/dbraw/zinc/96/92/64/492969264.db2.gz XBYKBPLIOCWSBR-POYBYMJQSA-N -1 3 368.278 0.850 10 0 FCAEHM CO[C@H]1COCC[C@H]1C[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000645746294 492969319 /nfs/dbraw/zinc/96/93/19/492969319.db2.gz OSWYAUBZVSEMIB-RYUDHWBXSA-N -1 3 360.432 0.620 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]C(C)(C)CN2CCOCC2)coc1C(=O)N(C)C ZINC000645761452 492971059 /nfs/dbraw/zinc/97/10/59/492971059.db2.gz ZQTQGISHKJCKAR-UHFFFAOYSA-N -1 3 373.475 0.679 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]CCC1(O)CCOCC1 ZINC000632329168 492974814 /nfs/dbraw/zinc/97/48/14/492974814.db2.gz QSXPJRLBOIAENH-UHFFFAOYSA-N -1 3 357.354 0.649 10 0 FCAEHM Cn1cnc(CCC[N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)n1 ZINC000645803912 492975727 /nfs/dbraw/zinc/97/57/27/492975727.db2.gz ORLZWLCZBTVHKP-UHFFFAOYSA-N -1 3 355.351 0.300 10 0 FCAEHM Cn1cnc(CCC[N-]S(=O)(=O)c2ccc(Br)cn2)n1 ZINC000645804619 492976014 /nfs/dbraw/zinc/97/60/14/492976014.db2.gz PGRRHYOSWQWEOG-UHFFFAOYSA-N -1 3 360.237 0.884 10 0 FCAEHM O=C(NC[C@H](O)[C@@H]1CCCO1)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000626471506 492981905 /nfs/dbraw/zinc/98/19/05/492981905.db2.gz HVZJAYYHQXVNSP-IHRRRGAJSA-N -1 3 362.386 0.099 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]C[C@H]1CCCCN1CCO ZINC000632389157 492989036 /nfs/dbraw/zinc/98/90/36/492989036.db2.gz MGIZLRGXPVQZIT-SNVBAGLBSA-N -1 3 370.397 0.564 10 0 FCAEHM O=C1C[C@@H](S(=O)(=O)[N-]Cc2nccc(C(F)(F)F)n2)CN1C1CC1 ZINC000632455517 493001139 /nfs/dbraw/zinc/00/11/39/493001139.db2.gz FUUKXBAXEPCBTN-SECBINFHSA-N -1 3 364.349 0.678 10 0 FCAEHM CC(C)n1ncnc1CNC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000626751436 493012956 /nfs/dbraw/zinc/01/29/56/493012956.db2.gz SJLYHBGDUFIFNI-KRWDZBQOSA-N -1 3 356.386 0.844 10 0 FCAEHM CCN1C(=O)CO[C@H](C(=O)NCc2ncccc2[O-])[C@H]1c1nccn1C ZINC000626738692 493013188 /nfs/dbraw/zinc/01/31/88/493013188.db2.gz ZYBCQNSLNFSCMN-GJZGRUSLSA-N -1 3 359.386 0.126 10 0 FCAEHM CCn1cc(S(=O)(=O)[N-][C@@H]2C[C@@H](N3CCOCC3)C2(C)C)nc1C ZINC000632501491 493015016 /nfs/dbraw/zinc/01/50/16/493015016.db2.gz NEIKVRKHYNEXNN-ZIAGYGMSSA-N -1 3 356.492 0.989 10 0 FCAEHM CCN(C(=O)Cn1cc(Br)c(=O)[n-]c1=O)[C@@H]1CCCOC1 ZINC000652816527 493024414 /nfs/dbraw/zinc/02/44/14/493024414.db2.gz DOUNAGSDYCKRSX-SECBINFHSA-N -1 3 360.208 0.739 10 0 FCAEHM C[C@@H]1C[C@@H]1c1noc(CC2CCN(C(=O)CN3CC(=O)[N-]C3=O)CC2)n1 ZINC000652847727 493029348 /nfs/dbraw/zinc/02/93/48/493029348.db2.gz IPTMYJILCBLSDM-PWSUYJOCSA-N -1 3 361.402 0.526 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2C[C@H](C)OCC23CCC3)cn1C ZINC000652881087 493030965 /nfs/dbraw/zinc/03/09/65/493030965.db2.gz OWDQZXBZHFKEMT-NSHDSACASA-N -1 3 356.448 0.177 10 0 FCAEHM C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000646260036 493033350 /nfs/dbraw/zinc/03/33/50/493033350.db2.gz UDRBUUCGRDRMPY-SNVBAGLBSA-N -1 3 354.480 0.841 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)NCCCc2ncn(C)n2)ccc1F ZINC000646397282 493045493 /nfs/dbraw/zinc/04/54/93/493045493.db2.gz IXLXUXLATBDXEC-UHFFFAOYSA-N -1 3 370.410 0.617 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCCC1(CO)CCC1 ZINC000652937723 493045730 /nfs/dbraw/zinc/04/57/30/493045730.db2.gz PHKKKJTUNMWVAR-UHFFFAOYSA-N -1 3 360.208 0.380 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCOC[C@H]2[C@H]2CCCN2C)co1 ZINC000646449442 493049129 /nfs/dbraw/zinc/04/91/29/493049129.db2.gz NDDADYORJMBCOU-OLZOCXBDSA-N -1 3 357.432 0.123 10 0 FCAEHM COCc1ccnc(NC(=O)C[N-]S(=O)(=O)c2c(C)noc2C)c1 ZINC000653042430 493063945 /nfs/dbraw/zinc/06/39/45/493063945.db2.gz NQZMYZQEIYPQCW-UHFFFAOYSA-N -1 3 354.388 0.750 10 0 FCAEHM C[C@@]1(c2cccc(NC(=O)c3cnc4n3CCOC4)c2)NC(=O)[N-]C1=O ZINC000666439568 493183079 /nfs/dbraw/zinc/18/30/79/493183079.db2.gz HGEJRVUPQNXWNY-KRWDZBQOSA-N -1 3 355.354 0.720 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]c1cccc(-n2cnnn2)c1)C1CCOCC1 ZINC000647270619 493188162 /nfs/dbraw/zinc/18/81/62/493188162.db2.gz DFFZZMUPCVINTC-OAHLLOKOSA-N -1 3 367.431 0.846 10 0 FCAEHM Cc1cc(N2CCC[C@@H](NC(=O)NCc3nc(CN)cc(=O)[n-]3)C2)n(C)n1 ZINC000659487322 493192920 /nfs/dbraw/zinc/19/29/20/493192920.db2.gz XRQXHKAGTVZGAH-GFCCVEGCSA-N -1 3 374.449 0.151 10 0 FCAEHM O=C(Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1)N1CC[C@H]2COC[C@@H]2C1 ZINC000666512550 493196361 /nfs/dbraw/zinc/19/63/61/493196361.db2.gz FNPCLRVOUADLPP-YDHLFZDLSA-N -1 3 358.398 0.937 10 0 FCAEHM CC(=O)N(CC(=O)[O-])C[C@H]1CN(C(=O)[C@@H](C)N2CCCCCC2)CCO1 ZINC000681943729 493254993 /nfs/dbraw/zinc/25/49/93/493254993.db2.gz ODBKXZFSXKXZOA-GDBMZVCRSA-N -1 3 369.462 0.411 10 0 FCAEHM C[C@]1(c2ccc(CNC(=O)N3CC[C@@H](CC(N)=O)C3)cc2)NC(=O)[N-]C1=O ZINC000672816161 493255369 /nfs/dbraw/zinc/25/53/69/493255369.db2.gz KTSCOESMHNVIBM-KPZWWZAWSA-N -1 3 373.413 0.148 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2)c1ncn(C)n1 ZINC000672867425 493260163 /nfs/dbraw/zinc/26/01/63/493260163.db2.gz JODZHHGCMITRQP-SECBINFHSA-N -1 3 356.429 0.184 10 0 FCAEHM CC(=O)N1CC[C@@H](C[N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)C1 ZINC000641597185 493260746 /nfs/dbraw/zinc/26/07/46/493260746.db2.gz JFHFLIDHKIWCDS-NSHDSACASA-N -1 3 369.418 0.857 10 0 FCAEHM CC(=O)N1CC[C@H](C[N-]S(=O)(=O)c2cccnc2OCC(F)F)C1 ZINC000641604417 493263728 /nfs/dbraw/zinc/26/37/28/493263728.db2.gz OLMMMTXISNMLKW-LLVKDONJSA-N -1 3 363.386 0.872 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC2(CO)CC2)cc1F ZINC000659936062 493305567 /nfs/dbraw/zinc/30/55/67/493305567.db2.gz NRKHEHXYDVNQLV-UHFFFAOYSA-N -1 3 352.409 0.391 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1C[C@H](O)CC(F)(F)C1 ZINC000682579124 493309518 /nfs/dbraw/zinc/30/95/18/493309518.db2.gz STFYLZMBYNKFCS-SECBINFHSA-N -1 3 354.400 0.645 10 0 FCAEHM CC(C)O[C@]1(CS(=O)(=O)[N-][C@H]2CC[C@H](C)S(=O)(=O)C2)CCOC1 ZINC000659988903 493312421 /nfs/dbraw/zinc/31/24/21/493312421.db2.gz WVHWJDINJNYUCG-MELADBBJSA-N -1 3 369.505 0.456 10 0 FCAEHM CC(C)(CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])S(C)(=O)=O ZINC000674016574 493381883 /nfs/dbraw/zinc/38/18/83/493381883.db2.gz HSLZVAFCECZUNY-CYBMUJFWSA-N -1 3 368.455 0.936 10 0 FCAEHM COc1ccc2c(c1)OC[C@@H](C(=O)N1CCC[C@]3(C1)NC(=O)[N-]C3=O)C2 ZINC000684078933 493392520 /nfs/dbraw/zinc/39/25/20/493392520.db2.gz SXRZXJGSDKDHET-KPZWWZAWSA-N -1 3 359.382 0.447 10 0 FCAEHM CN(C)C[C@@]1(O)CCCN(C(=O)c2ccccc2[N-]S(C)(=O)=O)C1 ZINC000684176059 493399066 /nfs/dbraw/zinc/39/90/66/493399066.db2.gz STONFQRPGPEBLA-INIZCTEOSA-N -1 3 355.460 0.587 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)NCCO[C@@H]2CC2(F)F)s1 ZINC000661680382 493457351 /nfs/dbraw/zinc/45/73/51/493457351.db2.gz NMBNZZYPJYKBHF-SECBINFHSA-N -1 3 369.415 0.880 10 0 FCAEHM COc1cccc(CNC(=O)C[N-]S(=O)(=O)c2c(C)noc2C)n1 ZINC000685677473 493508573 /nfs/dbraw/zinc/50/85/73/493508573.db2.gz ZVWTXRCCXGRKIZ-UHFFFAOYSA-N -1 3 354.388 0.290 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@H](C)[C@H](F)C1 ZINC000669632393 493516061 /nfs/dbraw/zinc/51/60/61/493516061.db2.gz LYBBSTLAVLPPDE-WDEREUQCSA-N -1 3 350.437 0.963 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@H](C)[C@@H](F)C1 ZINC000669632391 493516392 /nfs/dbraw/zinc/51/63/92/493516392.db2.gz LYBBSTLAVLPPDE-MNOVXSKESA-N -1 3 350.437 0.963 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)NCc1noc(C2CC2)n1 ZINC000685807815 493517082 /nfs/dbraw/zinc/51/70/82/493517082.db2.gz YDOJCADJMIYIMP-UHFFFAOYSA-N -1 3 354.363 0.681 10 0 FCAEHM CC1(C)Cc2ccc(C(=O)NC3CC(NS(C)(=O)=O)C3)c([O-])c2O1 ZINC000669925339 493534935 /nfs/dbraw/zinc/53/49/35/493534935.db2.gz VCHIXIOXXNFBGR-UHFFFAOYSA-N -1 3 354.428 0.916 10 0 FCAEHM CCN1CC[C@H](NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)C1=O ZINC000670169637 493549619 /nfs/dbraw/zinc/54/96/19/493549619.db2.gz TZHIDYMVDCJWEH-HNNXBMFYSA-N -1 3 369.425 0.810 10 0 FCAEHM CN(CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C1 ZINC000662913488 493552643 /nfs/dbraw/zinc/55/26/43/493552643.db2.gz LKVNSFKNGKOCRP-IRXDYDNUSA-N -1 3 373.453 0.695 10 0 FCAEHM CS(=O)(=O)CCCS(=O)(=O)[N-][C@@H](CO)c1cc(F)ccc1F ZINC000676848232 493574370 /nfs/dbraw/zinc/57/43/70/493574370.db2.gz BIAOPFQKWKHSLF-LBPRGKRZSA-N -1 3 357.400 0.352 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-][C@@H](CO)c2nc(-c3ccccc3)no2)c1 ZINC000676853830 493574820 /nfs/dbraw/zinc/57/48/20/493574820.db2.gz LUGMGQYXMJNQLC-LBPRGKRZSA-N -1 3 363.399 0.965 10 0 FCAEHM CCCn1c(=O)[n-]nc1S(=O)(=O)Cc1ccc(S(=O)(=O)NC)cc1 ZINC000663243920 493579449 /nfs/dbraw/zinc/57/94/49/493579449.db2.gz ULJKHTHPNBJILC-UHFFFAOYSA-N -1 3 374.444 0.276 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2C[C@@H](C)C(O)[C@H](C)C2)s1 ZINC000663535933 493594439 /nfs/dbraw/zinc/59/44/39/493594439.db2.gz CXPUMYPNJXNZCY-NXEZZACHSA-N -1 3 361.489 0.815 10 0 FCAEHM C[C@@H](Cn1cncn1)NC(=O)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1 ZINC000678338034 493641093 /nfs/dbraw/zinc/64/10/93/493641093.db2.gz VTRCRULFJAFFTP-GXFFZTMASA-N -1 3 357.374 0.239 10 0 FCAEHM C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1 ZINC000678326297 493641329 /nfs/dbraw/zinc/64/13/29/493641329.db2.gz MNBHWKUEFKVSJY-GXFFZTMASA-N -1 3 370.365 0.787 10 0 FCAEHM O=C(CC[C@H]1NC(=O)[N-]C1=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000678402418 493643473 /nfs/dbraw/zinc/64/34/73/493643473.db2.gz WVXOLVDOOPKJPO-MNOVXSKESA-N -1 3 370.203 0.587 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)N[C@@H]1C[C@@H](O)C12CCC2 ZINC000664500291 493663827 /nfs/dbraw/zinc/66/38/27/493663827.db2.gz AUSDWHSFOXYXHI-GHMZBOCLSA-N -1 3 359.473 0.629 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)N1CCC[C@](O)(C2CC2)C1 ZINC000664504018 493664179 /nfs/dbraw/zinc/66/41/79/493664179.db2.gz VYNYHHQGRIXUJC-OAHLLOKOSA-N -1 3 373.500 0.973 10 0 FCAEHM C[C@@H]1CCN(S(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)C[C@H]1F ZINC000679203175 493672246 /nfs/dbraw/zinc/67/22/46/493672246.db2.gz ZZIPYMAGQNAZQV-LDYMZIIASA-N -1 3 356.379 0.403 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H](OC)C[C@H]2CN2CCCC2)o1 ZINC000671618891 493698123 /nfs/dbraw/zinc/69/81/23/493698123.db2.gz APFLENNHOPCOMV-STQMWFEESA-N -1 3 371.459 0.513 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCc2cn(C)nn2)cc1OC ZINC000679924432 493701801 /nfs/dbraw/zinc/70/18/01/493701801.db2.gz COWBRPXWYKWOCG-UHFFFAOYSA-N -1 3 368.419 0.907 10 0 FCAEHM CN(C)S(=O)(=O)N1CCN(C(=O)c2ccc3c(c2[O-])CCCC3)CC1 ZINC000680424181 493716208 /nfs/dbraw/zinc/71/62/08/493716208.db2.gz GZDUZMCHNQKNQS-UHFFFAOYSA-N -1 3 367.471 0.835 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)NC2(CCO)CCOCC2)c([O-])c1 ZINC000680936482 493737656 /nfs/dbraw/zinc/73/76/56/493737656.db2.gz WRDGDRXOLXYJLW-UHFFFAOYSA-N -1 3 350.415 0.868 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)[C@H]2CCc3nc[nH]c3C2)s1 ZINC000665892376 493743225 /nfs/dbraw/zinc/74/32/25/493743225.db2.gz JWSJYMMBAFFZPS-VIFPVBQESA-N -1 3 354.457 0.801 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)[C@H]2CCc3[nH]cnc3C2)s1 ZINC000665892376 493743228 /nfs/dbraw/zinc/74/32/28/493743228.db2.gz JWSJYMMBAFFZPS-VIFPVBQESA-N -1 3 354.457 0.801 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)CC2CCN(OC)CC2)s1 ZINC000665892370 493743320 /nfs/dbraw/zinc/74/33/20/493743320.db2.gz JTNXLVRFPQEZFO-UHFFFAOYSA-N -1 3 361.489 0.936 10 0 FCAEHM COc1cc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)nn1C ZINC000681249173 493753412 /nfs/dbraw/zinc/75/34/12/493753412.db2.gz GCCXCFUJIRMBKY-VIFPVBQESA-N -1 3 356.379 0.873 10 0 FCAEHM CN(C)C(=O)CCNC(=O)N[N-]C(=O)c1ccccc1Br ZINC000047032234 674347586 /nfs/dbraw/zinc/34/75/86/674347586.db2.gz SRJWHSICYZZVIY-UHFFFAOYSA-N -1 3 357.208 0.871 10 0 FCAEHM COc1ccnc(N2CC[C@@H](N(C)Cc3cc(=O)[n-]c(N(C)C)n3)C2)n1 ZINC000275537462 524844618 /nfs/dbraw/zinc/84/46/18/524844618.db2.gz FCQBFTNMQXSXFY-CYBMUJFWSA-N -1 3 359.434 0.758 10 0 FCAEHM COc1ccnc(N2CC[C@H](N(C)Cc3cc(=O)[n-]c(N(C)C)n3)C2)n1 ZINC000275537464 524844801 /nfs/dbraw/zinc/84/48/01/524844801.db2.gz FCQBFTNMQXSXFY-ZDUSSCGKSA-N -1 3 359.434 0.758 10 0 FCAEHM CC[C@@H](NC(=O)CC[N-]S(=O)(=O)c1cccs1)[C@H](O)C(F)F ZINC000452473432 535786264 /nfs/dbraw/zinc/78/62/64/535786264.db2.gz CVRAUFOCEORABF-KCJUWKMLSA-N -1 3 356.416 0.937 10 0 FCAEHM CN(C)S(=O)(=O)c1ccc(CN2CCC[C@@]3(C2)NC(=O)[N-]C3=O)s1 ZINC000425473077 536110075 /nfs/dbraw/zinc/11/00/75/536110075.db2.gz JBCCJTYYYBKBJK-AWEZNQCLSA-N -1 3 372.472 0.172 10 0 FCAEHM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC[C@H]1CCOC1 ZINC000444204739 536117249 /nfs/dbraw/zinc/11/72/49/536117249.db2.gz JFNIXEUCIVRYRB-LBPRGKRZSA-N -1 3 362.473 0.642 10 0 FCAEHM COc1ccc(F)c(NC(=O)C[N-]S(=O)(=O)c2cn(C)c(C)n2)c1 ZINC000446450472 536603986 /nfs/dbraw/zinc/60/39/86/536603986.db2.gz CPMYLKRTVIVMIB-UHFFFAOYSA-N -1 3 356.379 0.793 10 0 FCAEHM COC[C@@](C)(O)CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000452350545 536810087 /nfs/dbraw/zinc/81/00/87/536810087.db2.gz YJLIDZUTXSWSNQ-GWCFXTLKSA-N -1 3 350.462 0.319 10 0 FCAEHM COC(=O)c1conc1C(C)(C)[N-]S(=O)(=O)CC1(C(=O)OC)CCC1 ZINC000425237706 536851710 /nfs/dbraw/zinc/85/17/10/536851710.db2.gz SQLCUNCLAJIFCD-UHFFFAOYSA-N -1 3 374.415 0.959 10 0 FCAEHM COc1ccc2c(c1)[n-]cc(C(=O)N[C@@H]1CCCS(=O)(=O)C1)c2=O ZINC000439255867 537012833 /nfs/dbraw/zinc/01/28/33/537012833.db2.gz CWOSDGTUVYLJPR-SNVBAGLBSA-N -1 3 350.396 0.844 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]C2CCC(C(=O)N3CCSCC3)CC2)c1 ZINC000069121484 546510477 /nfs/dbraw/zinc/51/04/77/546510477.db2.gz PYIFJXGRUZHLJL-UHFFFAOYSA-N -1 3 372.516 0.833 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CCCN1CCCCC1=O ZINC000592820631 546668595 /nfs/dbraw/zinc/66/85/95/546668595.db2.gz BSEKSMIXGVVIDW-UHFFFAOYSA-N -1 3 374.484 0.771 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](CC(C)(C)C)C(=O)OC)cn1 ZINC000592835004 546669017 /nfs/dbraw/zinc/66/90/17/546669017.db2.gz ONJFXYHNURTLQC-LLVKDONJSA-N -1 3 357.432 0.697 10 0 FCAEHM CC[C@@H](CNC(=O)Cn1cc(Br)c(=O)[n-]c1=O)C(=O)OC ZINC000592864898 546671350 /nfs/dbraw/zinc/67/13/50/546671350.db2.gz IAEBTOWBAOCASS-ZETCQYMHSA-N -1 3 362.180 0.027 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CCF)C(=O)OC)c(F)c1 ZINC000593635928 546727025 /nfs/dbraw/zinc/72/70/25/546727025.db2.gz VBHWFQHBXXHYSO-SNVBAGLBSA-N -1 3 351.327 0.792 10 0 FCAEHM CCOC(=O)[C@H](CC1(OC)CCC1)[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000593651710 546728184 /nfs/dbraw/zinc/72/81/84/546728184.db2.gz SSUOWQBIQVEIQQ-LBPRGKRZSA-N -1 3 359.448 0.898 10 0 FCAEHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]CC[C@]2(O)CCOC2)c1 ZINC000593636044 546733395 /nfs/dbraw/zinc/73/33/95/546733395.db2.gz BIEZJAQBBBZJLL-HNNXBMFYSA-N -1 3 361.391 0.822 10 0 FCAEHM COC[C@@H](CC[N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC)OC ZINC000594795214 546826358 /nfs/dbraw/zinc/82/63/58/546826358.db2.gz IIAOJYWIOUVEJZ-SECBINFHSA-N -1 3 367.445 0.873 10 0 FCAEHM COC(=O)CC1(CS(=O)(=O)[N-][C@H]2Cc3ccccc3N(C)C2=O)CC1 ZINC000594803140 546827320 /nfs/dbraw/zinc/82/73/20/546827320.db2.gz JSRZTUIISCDMJM-ZDUSSCGKSA-N -1 3 366.439 0.837 10 0 FCAEHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]C[C@H](OC)[C@H]1CCOC1 ZINC000594805080 546828562 /nfs/dbraw/zinc/82/85/62/546828562.db2.gz SQYCHXMYWJJJQV-GWCFXTLKSA-N -1 3 361.391 0.942 10 0 FCAEHM COC(=O)[C@H]1OCC[C@H]1[N-]S(=O)(=O)C[C@@H](Cc1ccccc1)OC ZINC000594823651 546837415 /nfs/dbraw/zinc/83/74/15/546837415.db2.gz VVJNPMKOYTZMSO-KFWWJZLASA-N -1 3 357.428 0.494 10 0 FCAEHM COCc1nc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(=O)OC)n[nH]1 ZINC000594828679 546838545 /nfs/dbraw/zinc/83/85/45/546838545.db2.gz VECRCLJJNQIMJB-UHFFFAOYSA-N -1 3 374.806 0.870 10 0 FCAEHM O=C(NCc1cn2cc(Cl)ccc2n1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000545414111 547030734 /nfs/dbraw/zinc/03/07/34/547030734.db2.gz QLOLPTGHIBKUAC-LLVKDONJSA-N -1 3 362.777 0.433 10 0 FCAEHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)s1 ZINC000546075455 547037907 /nfs/dbraw/zinc/03/79/07/547037907.db2.gz BDSZNECXYSIGAV-MRVPVSSYSA-N -1 3 357.461 0.926 10 0 FCAEHM CCO[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000546783203 547045407 /nfs/dbraw/zinc/04/54/07/547045407.db2.gz MULRJRWYUJYQBW-NWDGAFQWSA-N -1 3 363.457 0.562 10 0 FCAEHM CCO[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000546783202 547045831 /nfs/dbraw/zinc/04/58/31/547045831.db2.gz MULRJRWYUJYQBW-NEPJUHHUSA-N -1 3 363.457 0.562 10 0 FCAEHM C[C@@H]1CCCN1S(=O)(=O)NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000547438862 547052372 /nfs/dbraw/zinc/05/23/72/547052372.db2.gz ONIVLIAMAJHYHZ-BDJLRTHQSA-N -1 3 366.443 0.560 10 0 FCAEHM COC(=O)Cc1ccccc1NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000552213817 547195484 /nfs/dbraw/zinc/19/54/84/547195484.db2.gz JOUJDJDSHNZOLE-UHFFFAOYSA-N -1 3 366.399 0.053 10 0 FCAEHM CS(=O)(=O)N1CCCC[C@H]1CNC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000552718052 547227568 /nfs/dbraw/zinc/22/75/68/547227568.db2.gz OMCGHEOJMIEUPM-ZDUSSCGKSA-N -1 3 369.443 0.052 10 0 FCAEHM CS(=O)(=O)N1CCCC[C@H]1CNC(=O)CNC(=O)c1cccc([O-])c1 ZINC000553249199 547263624 /nfs/dbraw/zinc/26/36/24/547263624.db2.gz ZABWDJOXBARQEH-ZDUSSCGKSA-N -1 3 369.443 0.052 10 0 FCAEHM COC(=O)[C@]1([N-]S(=O)(=O)c2cnc(NC(C)=O)s2)CCSC1 ZINC000553531494 547285992 /nfs/dbraw/zinc/28/59/92/547285992.db2.gz VREOXBHXDBQCMN-NSHDSACASA-N -1 3 365.458 0.429 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000553811921 547309509 /nfs/dbraw/zinc/30/95/09/547309509.db2.gz YNNACOVBABBZQN-UWVGGRQHSA-N -1 3 374.166 0.336 10 0 FCAEHM CN(C)C(=O)N(C)[C@H]1CCN(C(=O)C[N-]S(=O)(=O)c2cccs2)C1 ZINC000619984462 547335789 /nfs/dbraw/zinc/33/57/89/547335789.db2.gz NEZIVWCWKIWSFU-NSHDSACASA-N -1 3 374.488 0.241 10 0 FCAEHM CCOC(=O)[C@H](F)[C@@H]1CCN(C(=O)CNC(=O)c2ccc([O-])cc2)C1 ZINC000898537680 665882944 /nfs/dbraw/zinc/88/29/44/665882944.db2.gz SOVRUYFXXSMJAJ-IUODEOHRSA-N -1 3 352.362 0.872 10 0 FCAEHM C[C@@H]1CCN(C(=O)C2CN([C@@H]3CCOC3)C2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000898991262 665921359 /nfs/dbraw/zinc/92/13/59/665921359.db2.gz UKCCGLXUCFRKFL-RTXFEEFZSA-N -1 3 363.380 0.623 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cnn(C)c1I)C(C)(C)O ZINC000866837301 663136519 /nfs/dbraw/zinc/13/65/19/663136519.db2.gz AAVBUZFWOZJFOL-LURJTMIESA-N -1 3 373.216 0.462 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCn3nncc3C2)ccc1F ZINC000899336945 665936237 /nfs/dbraw/zinc/93/62/37/665936237.db2.gz WELYTYCFIWQNLJ-UHFFFAOYSA-N -1 3 353.379 0.371 10 0 FCAEHM CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)c1nnc2ccccc2c1[O-] ZINC000804691635 663228083 /nfs/dbraw/zinc/22/80/83/663228083.db2.gz AHFKUWGSKKKSFN-LLVKDONJSA-N -1 3 364.427 0.879 10 0 FCAEHM CC[C@H](CCO)[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866857445 663466940 /nfs/dbraw/zinc/46/69/40/663466940.db2.gz HXZAVTJDUWDKSX-SSDOTTSWSA-N -1 3 373.216 0.464 10 0 FCAEHM Cc1ccc(N2CC[C@H]([N-]S(=O)(=O)C[C@@H]3CN(C)CCO3)C2=O)cc1 ZINC000866869923 663472293 /nfs/dbraw/zinc/47/22/93/663472293.db2.gz RHROMKQBXHUPEU-HOTGVXAUSA-N -1 3 367.471 0.350 10 0 FCAEHM C[C@@H](CCO)C[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866894185 664289761 /nfs/dbraw/zinc/28/97/61/664289761.db2.gz ZVWVMPYLCRAFTJ-ZETCQYMHSA-N -1 3 373.216 0.322 10 0 FCAEHM C[C@H](CO[C@@H]1CCOC1)[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000866942497 665223309 /nfs/dbraw/zinc/22/33/09/665223309.db2.gz UNHPQGXMETVMEN-RKDXNWHRSA-N -1 3 368.253 0.655 10 0 FCAEHM CCC(=O)N1CC[C@H]([N-]S(=O)(=O)c2cn(C)nc2Br)C1 ZINC000866964158 665252937 /nfs/dbraw/zinc/25/29/37/665252937.db2.gz HULLQFVNYGCSHS-QMMMGPOBSA-N -1 3 365.253 0.472 10 0 FCAEHM CC(C)[C@@H]([N-]S(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)OC(C)(C)C ZINC000321703060 665272281 /nfs/dbraw/zinc/27/22/81/665272281.db2.gz BTOHPCVXSKSDIK-GFCCVEGCSA-N -1 3 369.505 0.849 10 0 FCAEHM CN1CCN(CCNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC1(C)C ZINC000909027584 666223670 /nfs/dbraw/zinc/22/36/70/666223670.db2.gz QGGYWZWYMBFYAZ-SOUVJXGZSA-N -1 3 352.479 0.907 10 0 FCAEHM O=C([O-])[C@@H]1CCCN(CC(=O)N2CCCC[C@H]2CN2CCOCC2)C1 ZINC000911335060 666336459 /nfs/dbraw/zinc/33/64/59/666336459.db2.gz IFCRJUQFFPMKTI-CVEARBPZSA-N -1 3 353.463 0.496 10 0 FCAEHM CN1CCOC[C@]1(CO)C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000921340096 666437389 /nfs/dbraw/zinc/43/73/89/666437389.db2.gz UWKGCUCSOCBPED-GFCCVEGCSA-N -1 3 370.258 0.360 10 0 FCAEHM CN=[S@](C)(=O)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000912789313 666477318 /nfs/dbraw/zinc/47/73/18/666477318.db2.gz GHQNHEBLXPYUQX-RKNYENMMSA-N -1 3 353.444 0.841 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CC(C)(C)N1CCOCC1 ZINC000055215084 666539890 /nfs/dbraw/zinc/53/98/90/666539890.db2.gz QRTLLFAYLANIQS-UHFFFAOYSA-N -1 3 350.872 0.771 10 0 FCAEHM C[C@@H](CN1CCN(C)CC1)[N-]S(=O)(=O)c1occc1Br ZINC000914075416 666691367 /nfs/dbraw/zinc/69/13/67/666691367.db2.gz WZQHXAYXEOYGNO-JTQLQIEISA-N -1 3 366.281 0.956 10 0 FCAEHM C[C@H](CN1CCN(C)CC1)[N-]S(=O)(=O)c1occc1Br ZINC000914075417 666691414 /nfs/dbraw/zinc/69/14/14/666691414.db2.gz WZQHXAYXEOYGNO-SNVBAGLBSA-N -1 3 366.281 0.956 10 0 FCAEHM CN1CCC(O)(C[N-]S(=O)(=O)c2occc2Br)CC1 ZINC000914172364 666719165 /nfs/dbraw/zinc/71/91/65/666719165.db2.gz GJQSJMVJWNQEJV-UHFFFAOYSA-N -1 3 353.238 0.777 10 0 FCAEHM COC(=O)C1CCC(S(=O)(=O)[N-][C@]2(C(=O)OC)CCSC2)CC1 ZINC000914301520 666736931 /nfs/dbraw/zinc/73/69/31/666736931.db2.gz AJDCITSOAPCQOT-QIMFLAQGSA-N -1 3 365.473 0.686 10 0 FCAEHM C[C@@](O)(C[N-]S(=O)(=O)c1cnn2c1OCC(C)(C)C2)C(F)(F)F ZINC000914305042 666737511 /nfs/dbraw/zinc/73/75/11/666737511.db2.gz PWTTVCJPABUZQP-LLVKDONJSA-N -1 3 357.354 0.893 10 0 FCAEHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@H]2CN3CCN2CCC3)c1 ZINC000917050665 667047113 /nfs/dbraw/zinc/04/71/13/667047113.db2.gz IHDHTJONYPLIBW-ZDUSSCGKSA-N -1 3 371.434 0.281 10 0 FCAEHM O=S(=O)([N-][C@H](CO)CN1CCOCC1)c1cc(F)c(F)c(F)c1 ZINC000918989954 667149418 /nfs/dbraw/zinc/14/94/18/667149418.db2.gz WTTIBHCKLILXOW-VIFPVBQESA-N -1 3 354.350 0.075 10 0 FCAEHM CN1C[C@H](CC[N-]S(=O)(=O)N=[S@@](C)(=O)c2ccccc2)CC1=O ZINC000921057578 667266196 /nfs/dbraw/zinc/26/61/96/667266196.db2.gz BNXGHFFBXUIZPG-IPQOISQHSA-N -1 3 359.473 0.846 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CCOC2CCOCC2)c(Br)n1 ZINC000921876153 667529512 /nfs/dbraw/zinc/52/95/12/667529512.db2.gz RKQMNOJXQARGQN-UHFFFAOYSA-N -1 3 368.253 0.657 10 0 FCAEHM CCOC(=O)[C@@H]([N-]S(=O)(=O)C1CCS(=O)(=O)CC1)C(C)(C)C ZINC000753374090 667550865 /nfs/dbraw/zinc/55/08/65/667550865.db2.gz RAOFQKPPHZNMPJ-LLVKDONJSA-N -1 3 355.478 0.461 10 0 FCAEHM COC(=O)[C@H]([N-]S(=O)(=O)C1CN(C(=O)c2ccccc2)C1)C(C)C ZINC000921977996 667558280 /nfs/dbraw/zinc/55/82/80/667558280.db2.gz UXUQEZCCQMRFSR-CQSZACIVSA-N -1 3 354.428 0.628 10 0 FCAEHM CCC1(CC)CNC(=O)[C@@H]1[N-]S(=O)(=O)C[C@@H](OC)C1CCOCC1 ZINC000922037723 667572390 /nfs/dbraw/zinc/57/23/90/667572390.db2.gz FMAQZYJPNKVOPN-KGLIPLIRSA-N -1 3 362.492 0.652 10 0 FCAEHM CC(C)C(=O)NCCC[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867015879 667716902 /nfs/dbraw/zinc/71/69/02/667716902.db2.gz KTMZGMKCKKMCLX-UHFFFAOYSA-N -1 3 367.269 0.623 10 0 FCAEHM CS[C@H](CO)[C@H](C)[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867018679 667728006 /nfs/dbraw/zinc/72/80/06/667728006.db2.gz WHQZOVMLDLWKHO-NKWVEPMBSA-N -1 3 358.283 0.573 10 0 FCAEHM CCOC(=O)[C@H](Cc1ccccn1)[N-]S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000758172686 667746287 /nfs/dbraw/zinc/74/62/87/667746287.db2.gz APQYSFQYSAGIMM-NSHDSACASA-N -1 3 372.834 0.921 10 0 FCAEHM C[C@H](CC(=O)NCc1cnn(C)n1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000805211177 667865979 /nfs/dbraw/zinc/86/59/79/667865979.db2.gz CGFGCSICSHQZBX-SECBINFHSA-N -1 3 372.838 0.237 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]Cc2ccc(S(N)(=O)=O)cc2)nc1Cl ZINC000760848993 667866322 /nfs/dbraw/zinc/86/63/22/667866322.db2.gz LLAHFYKHNXGHCE-UHFFFAOYSA-N -1 3 364.836 0.199 10 0 FCAEHM CCNC(=O)C(C)(C)C[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000866993319 667949965 /nfs/dbraw/zinc/94/99/65/667949965.db2.gz YTLICAMIBXWKQZ-UHFFFAOYSA-N -1 3 367.269 0.623 10 0 FCAEHM O=S(=O)([N-]C[C@H]1CN2CCN1CC2)c1cc2nc(Cl)ncc2s1 ZINC000866994166 667956896 /nfs/dbraw/zinc/95/68/96/667956896.db2.gz HKOSIDVSVVHUSF-VIFPVBQESA-N -1 3 373.891 0.623 10 0 FCAEHM CON(C)C(=O)[C@H](CCSC)[N-]S(=O)(=O)Cc1cc(C)on1 ZINC000765213174 668002548 /nfs/dbraw/zinc/00/25/48/668002548.db2.gz BQRZOPPUYPCEIH-NSHDSACASA-N -1 3 351.450 0.544 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)O[C@@H]1CCCNC1=O ZINC000767311698 668049558 /nfs/dbraw/zinc/04/95/58/668049558.db2.gz LVDROFPKMRWOJN-SSDOTTSWSA-N -1 3 352.821 0.502 10 0 FCAEHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]C[C@H](O)c2ccccn2)s1 ZINC000775592472 668223395 /nfs/dbraw/zinc/22/33/95/668223395.db2.gz GZXGAZWQLULKMP-JTQLQIEISA-N -1 3 372.424 0.950 10 0 FCAEHM CS(=O)(=O)c1cccnc1CNC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000775741183 668229093 /nfs/dbraw/zinc/22/90/93/668229093.db2.gz PYLYEIHEBFXYHD-UKTHLTGXSA-N -1 3 357.391 0.886 10 0 FCAEHM COc1nnc(NC(=O)CCNS(=O)(=O)C=Cc2ccccc2)[n-]1 ZINC000778955630 668401330 /nfs/dbraw/zinc/40/13/30/668401330.db2.gz NBVWDVMYDKBDSV-CSKARUKUSA-N -1 3 351.388 0.732 10 0 FCAEHM COc1nc(NC(=O)CCNS(=O)(=O)C=Cc2ccccc2)n[n-]1 ZINC000778955630 668401333 /nfs/dbraw/zinc/40/13/33/668401333.db2.gz NBVWDVMYDKBDSV-CSKARUKUSA-N -1 3 351.388 0.732 10 0 FCAEHM COc1n[n-]c(NC(=O)CCNS(=O)(=O)C=Cc2ccccc2)n1 ZINC000778955630 668401335 /nfs/dbraw/zinc/40/13/35/668401335.db2.gz NBVWDVMYDKBDSV-CSKARUKUSA-N -1 3 351.388 0.732 10 0 FCAEHM C[C@@H](CO[N-]C(=O)CCSc1nnnn1C)NC(=O)OC(C)(C)C ZINC000783658447 668625350 /nfs/dbraw/zinc/62/53/50/668625350.db2.gz FWVQTAYXUQQXGB-VIFPVBQESA-N -1 3 360.440 0.653 10 0 FCAEHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]CCCn2ccnn2)c1F ZINC000784420214 668655964 /nfs/dbraw/zinc/65/59/64/668655964.db2.gz XJXSXOPWIKOIRE-UHFFFAOYSA-N -1 3 360.342 0.712 10 0 FCAEHM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(CN2CCCC2)c1 ZINC000805916329 668872864 /nfs/dbraw/zinc/87/28/64/668872864.db2.gz WTTHQNYVYZMTDD-LBPRGKRZSA-N -1 3 354.428 0.904 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](CO)C[C@@H](O)C(C)(C)C ZINC000790383907 668875931 /nfs/dbraw/zinc/87/59/31/668875931.db2.gz BJTBSALHJMOGSN-VHSXEESVSA-N -1 3 353.872 0.818 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NC2COCCOC2)ccc1F ZINC000794801111 668997723 /nfs/dbraw/zinc/99/77/23/668997723.db2.gz CRWGJKUNFQAILB-UHFFFAOYSA-N -1 3 360.407 0.658 10 0 FCAEHM COC(OC)[C@H](C)NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000819812406 669031541 /nfs/dbraw/zinc/03/15/41/669031541.db2.gz BQWVIDXTMRSRSQ-ZETCQYMHSA-N -1 3 356.853 0.803 10 0 FCAEHM CCn1nc(C)c(C[N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)n1 ZINC000819891477 669036754 /nfs/dbraw/zinc/03/67/54/669036754.db2.gz SLPAEXXSKZLBOQ-UHFFFAOYSA-N -1 3 370.456 0.415 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)O[C@H]1CCN(C(C)(C)C)C1=O ZINC000820162523 669061895 /nfs/dbraw/zinc/06/18/95/669061895.db2.gz WFXQWVPVQGEXKI-NSHDSACASA-N -1 3 373.431 0.512 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C)C1(S(C)(=O)=O)CC1 ZINC000796121990 669081367 /nfs/dbraw/zinc/08/13/67/669081367.db2.gz FJPCOFVCNJRXSX-MRVPVSSYSA-N -1 3 355.869 0.626 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000796121993 669081400 /nfs/dbraw/zinc/08/14/00/669081400.db2.gz FJPCOFVCNJRXSX-QMMMGPOBSA-N -1 3 355.869 0.626 10 0 FCAEHM CC(C)OCCS(=O)(=O)[N-]CC(=O)O[C@H]1CCN(C(C)(C)C)C1=O ZINC000820415863 669093672 /nfs/dbraw/zinc/09/36/72/669093672.db2.gz HBYIJGMNGFXOQO-LBPRGKRZSA-N -1 3 364.464 0.273 10 0 FCAEHM CN1C[C@@H](NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)CCC1=O ZINC000798421780 669236366 /nfs/dbraw/zinc/23/63/66/669236366.db2.gz VSERVTPOOOIRIX-NSHDSACASA-N -1 3 364.368 0.707 10 0 FCAEHM CC(C)(C)OC(=O)N1CC(S(=O)(=O)[N-]C[C@](C)(O)C(F)(F)F)C1 ZINC000867026465 669329913 /nfs/dbraw/zinc/32/99/13/669329913.db2.gz YPGVEIBPEBJMKS-NSHDSACASA-N -1 3 362.370 0.838 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)CC2(NC(=O)OC(C)(C)C)CC2)n[n-]1 ZINC000828008146 669609099 /nfs/dbraw/zinc/60/90/99/669609099.db2.gz AVOPPFUYLGAJHR-UHFFFAOYSA-N -1 3 353.379 0.906 10 0 FCAEHM CC[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC)C(=O)OC ZINC000828048619 669612140 /nfs/dbraw/zinc/61/21/40/669612140.db2.gz DCGJXEKCTSGNGG-QMMMGPOBSA-N -1 3 364.807 0.999 10 0 FCAEHM CNC(=O)[C@@H](O)C[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000809837842 669644011 /nfs/dbraw/zinc/64/40/11/669644011.db2.gz JZQKXRXXVUZDIN-ZETCQYMHSA-N -1 3 371.640 0.488 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)OCC(=O)c2cccc(OC)n2)c(C)o1 ZINC000811144964 669735773 /nfs/dbraw/zinc/73/57/73/669735773.db2.gz HAPZPWREDAVOHO-UHFFFAOYSA-N -1 3 368.367 0.939 10 0 FCAEHM COC(=O)c1cc(C(=O)O[C@@H](C)C(=O)N(C)CC(=O)NC2CC2)c[n-]1 ZINC000814529819 669887205 /nfs/dbraw/zinc/88/72/05/669887205.db2.gz SZECMSSXFQZOQH-VIFPVBQESA-N -1 3 351.359 0.084 10 0 FCAEHM C[C@@H](O)C[C@H](C)[N-]S(=O)(=O)c1cnn(C)c1I ZINC000867090785 669933215 /nfs/dbraw/zinc/93/32/15/669933215.db2.gz RRYABYQWSJZADY-NKWVEPMBSA-N -1 3 373.216 0.462 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@H]2CCn3ccnc3C2)c(Br)n1 ZINC000867129356 670005938 /nfs/dbraw/zinc/00/59/38/670005938.db2.gz RKZGWALBODJVJF-QMMMGPOBSA-N -1 3 360.237 0.672 10 0 FCAEHM COc1nccc(COC(=O)C[N-]S(=O)(=O)c2c(C)noc2C)n1 ZINC000837357578 670101671 /nfs/dbraw/zinc/10/16/71/670101671.db2.gz HNZNRWCRKCAFTO-UHFFFAOYSA-N -1 3 356.360 0.112 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@](O)(CO)C2)ccc1F ZINC000837782820 670129812 /nfs/dbraw/zinc/12/98/12/670129812.db2.gz NRLFQOBJOMLYJA-INIZCTEOSA-N -1 3 374.434 0.472 10 0 FCAEHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H]2CNCCC2(F)F)c1 ZINC000842890717 670752363 /nfs/dbraw/zinc/75/23/63/670752363.db2.gz RZFRXAYPXNJHMK-NSHDSACASA-N -1 3 352.334 0.888 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-][C@H]2CCCN(CCCO)C2)c1C(F)(F)F ZINC000867326290 670814785 /nfs/dbraw/zinc/81/47/85/670814785.db2.gz AWASIWSVZIWWKN-JTQLQIEISA-N -1 3 370.397 0.564 10 0 FCAEHM C[C@@H]1C(=O)N(C)CN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000843736992 670850494 /nfs/dbraw/zinc/85/04/94/670850494.db2.gz JVPLICPJAOSUFP-SECBINFHSA-N -1 3 355.391 0.527 10 0 FCAEHM CCN(OC)C(=O)CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000844070476 670892749 /nfs/dbraw/zinc/89/27/49/670892749.db2.gz RROVMMLICTYYTM-UHFFFAOYSA-N -1 3 373.406 0.406 10 0 FCAEHM CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)Cc2c(C)nc(C)[n-]c2=O)C1 ZINC000844096294 670894774 /nfs/dbraw/zinc/89/47/74/670894774.db2.gz CSFOXYNSUBRHNJ-CQSZACIVSA-N -1 3 360.336 0.869 10 0 FCAEHM C[C@H](CC(=O)N1CN(C)C(=O)[C@@H]1C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000844103583 670895849 /nfs/dbraw/zinc/89/58/49/670895849.db2.gz QIGNQRFTLGZSEF-ZJUUUORDSA-N -1 3 374.850 0.439 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]C[C@@]2(C)CCC(=O)N2)c(Br)n1 ZINC000867376364 670957129 /nfs/dbraw/zinc/95/71/29/670957129.db2.gz AQXYOPCPUXDFEU-SNVBAGLBSA-N -1 3 351.226 0.130 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)OC[C@H]2CN(C3CC3)C(=O)O2)c(C)o1 ZINC000845131075 670968228 /nfs/dbraw/zinc/96/82/28/670968228.db2.gz HETPUPPPVAYTHN-SNVBAGLBSA-N -1 3 358.372 0.636 10 0 FCAEHM CCOC(=O)c1ccc(S(=O)(=O)[N-]CC(=O)N(C)OCC)c(F)c1 ZINC000846007358 671067297 /nfs/dbraw/zinc/06/72/97/671067297.db2.gz GGIRVZPDNSEGEO-UHFFFAOYSA-N -1 3 362.379 0.691 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CCF)C(=O)OC)ccc1F ZINC000846426981 671108532 /nfs/dbraw/zinc/10/85/32/671108532.db2.gz VNNVOQPCAYIQLN-SNVBAGLBSA-N -1 3 350.343 0.365 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2CN(C3CC3)C(=O)O2)s1 ZINC000848512479 671282705 /nfs/dbraw/zinc/28/27/05/671282705.db2.gz FATHNJMJUCUBLV-SECBINFHSA-N -1 3 360.413 0.796 10 0 FCAEHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@H]2CN(C3CC3)C(=O)O2)c1 ZINC000848515873 671283576 /nfs/dbraw/zinc/28/35/76/671283576.db2.gz SYEHUJWOTGTNPR-NSHDSACASA-N -1 3 372.374 0.874 10 0 FCAEHM CO[C@@H]1CCC[C@H]([C@H](CO)[N-]S(=O)(=O)c2cn(C)c(Cl)n2)C1 ZINC000849422586 671341246 /nfs/dbraw/zinc/34/12/46/671341246.db2.gz CRDZXUSPLVHYST-AXFHLTTASA-N -1 3 351.856 0.918 10 0 FCAEHM COc1ccccc1-c1cc(C[N-]S(=O)(=O)CCS(C)(=O)=O)on1 ZINC000851884042 671476592 /nfs/dbraw/zinc/47/65/92/671476592.db2.gz MMYGCPBNHOPVGA-UHFFFAOYSA-N -1 3 374.440 0.814 10 0 FCAEHM CS(=O)(=O)Nc1ccc(C=CC(=O)NCCCc2cc(=O)[nH][n-]2)cc1 ZINC000854487964 671580944 /nfs/dbraw/zinc/58/09/44/671580944.db2.gz QINHPACOIWTYCH-TWGQIWQCSA-N -1 3 364.427 0.844 10 0 FCAEHM CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)NCCCc2cc(=O)[nH][n-]2)C1 ZINC000854485018 671580979 /nfs/dbraw/zinc/58/09/79/671580979.db2.gz SUYXKOJQTLGMMB-ZDUSSCGKSA-N -1 3 356.398 0.964 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H]2C[C@@H](C(=O)OC)C2)ccc1F ZINC000856215924 671680421 /nfs/dbraw/zinc/68/04/21/671680421.db2.gz DMLRYROKGXERPG-PHIMTYICSA-N -1 3 358.391 0.757 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@@H]1CCn2cncc21 ZINC000857989976 671748201 /nfs/dbraw/zinc/74/82/01/671748201.db2.gz VHDRLXITMCEGCZ-MRVPVSSYSA-N -1 3 354.164 0.169 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]C[C@H](O)c2ccccn2)on1 ZINC000859095014 671793287 /nfs/dbraw/zinc/79/32/87/671793287.db2.gz LNQKPCBHCRUUEH-ZDUSSCGKSA-N -1 3 355.372 0.399 10 0 FCAEHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@H]2COCCN2C)c1 ZINC000859335680 671816172 /nfs/dbraw/zinc/81/61/72/671816172.db2.gz FNVNSZOOJORJTM-LBPRGKRZSA-N -1 3 360.407 0.611 10 0 FCAEHM CCn1nnc(C)c1CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000862083135 672025370 /nfs/dbraw/zinc/02/53/70/672025370.db2.gz ZNFWWHGJDYXNBG-UHFFFAOYSA-N -1 3 355.395 0.584 10 0 FCAEHM COC(=O)C1=CC[C@@H](NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC000862672508 672064869 /nfs/dbraw/zinc/06/48/69/672064869.db2.gz FDIYXDFGKRNPSW-MRVPVSSYSA-N -1 3 372.175 0.089 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[S@]3=O)ccc1F ZINC000863054928 672100321 /nfs/dbraw/zinc/10/03/21/672100321.db2.gz LXDOCGCJRUZRQJ-WCBZVUCDSA-N -1 3 374.459 0.859 10 0 FCAEHM C[C@@H](CO[N-]C(=O)Cc1ccc(C(N)=O)nc1)NC(=O)OC(C)(C)C ZINC000863902576 672160602 /nfs/dbraw/zinc/16/06/02/672160602.db2.gz REMBWMQYNCWJEW-JTQLQIEISA-N -1 3 352.391 0.684 10 0 FCAEHM CC(=O)N1CCC([N-]S(=O)(=O)N=[S@@](C)(=O)c2ccccc2)CC1 ZINC000866423779 672272668 /nfs/dbraw/zinc/27/26/68/672272668.db2.gz CSYBQEQGZGQPDU-QFIPXVFZSA-N -1 3 359.473 0.989 10 0 FCAEHM CN1CC[C@@H]([N-]S(=O)(=O)c2cnn(C)c2I)C1 ZINC000866580751 672283207 /nfs/dbraw/zinc/28/32/07/672283207.db2.gz QJPHBASCTXURQJ-SSDOTTSWSA-N -1 3 370.216 0.007 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CC(=O)OCC2CC2)c(Br)n1 ZINC000866709060 672290416 /nfs/dbraw/zinc/29/04/16/672290416.db2.gz VTXGGLCGDXUAGM-UHFFFAOYSA-N -1 3 352.210 0.414 10 0 FCAEHM CCOC(=O)C(C)(C)[N-]S(=O)(=O)c1cnn(C)c1Br ZINC000866719617 672292367 /nfs/dbraw/zinc/29/23/67/672292367.db2.gz ZAUACPTYLIBDDN-UHFFFAOYSA-N -1 3 354.226 0.803 10 0 FCAEHM COCCN1CCC[C@H]([N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)C1 ZINC000866745278 672295847 /nfs/dbraw/zinc/29/58/47/672295847.db2.gz WCTREBKVWUFIAM-JTQLQIEISA-N -1 3 370.397 0.828 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CCN2CCCC2=O)c(Br)n1 ZINC000867461218 672319588 /nfs/dbraw/zinc/31/95/88/672319588.db2.gz LQVVFIHOQHDADZ-UHFFFAOYSA-N -1 3 351.226 0.083 10 0 FCAEHM CC(C)(C)OC(=O)N1CC(S(=O)(=O)[N-][C@H]2CCCC23OCCO3)C1 ZINC000867528205 672331636 /nfs/dbraw/zinc/33/16/36/672331636.db2.gz NBCLKAQQJRASER-LBPRGKRZSA-N -1 3 362.448 0.821 10 0 FCAEHM CN(CC[N-]S(=O)(=O)c1cn(C)nc1Br)CC(F)F ZINC000867568244 672339264 /nfs/dbraw/zinc/33/92/64/672339264.db2.gz GITQQIOGFHTUFH-UHFFFAOYSA-N -1 3 361.212 0.658 10 0 FCAEHM COC(=O)[C@H](CCC1OCCO1)[N-]S(=O)(=O)CC1CC(F)(F)C1 ZINC000867762750 672364545 /nfs/dbraw/zinc/36/45/45/672364545.db2.gz JCJXOJVWRWQMLW-JTQLQIEISA-N -1 3 357.375 0.646 10 0 FCAEHM COC(=O)C1CC([N-]S(=O)(=O)c2cnn(C)c2Br)C1 ZINC000867768848 672365672 /nfs/dbraw/zinc/36/56/72/672365672.db2.gz HSYCZYBYUCGBRN-UHFFFAOYSA-N -1 3 352.210 0.413 10 0 FCAEHM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)C1 ZINC000868334920 672394209 /nfs/dbraw/zinc/39/42/09/672394209.db2.gz ZDMVFYLVFNUNPW-CQSZACIVSA-N -1 3 351.447 0.787 10 0 FCAEHM O=C1C[C@@H](S(=O)(=O)[N-]C[C@@]2(C(F)(F)F)CCCN2)CN1C1CC1 ZINC000923685856 673466628 /nfs/dbraw/zinc/46/66/28/673466628.db2.gz PDRIWLXGUQCXLY-ZYHUDNBSSA-N -1 3 355.382 0.354 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2[O-])CCN1C ZINC000928457675 673911067 /nfs/dbraw/zinc/91/10/67/673911067.db2.gz XRGIGSBKJILVAO-DOMZBBRYSA-N -1 3 367.471 0.999 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCO[C@H](C(F)F)C1 ZINC000801115497 675739081 /nfs/dbraw/zinc/73/90/81/675739081.db2.gz RDPHHEKBWCGEBP-ZETCQYMHSA-N -1 3 368.134 0.204 10 0 FCAEHM O=C(NCCC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001267169331 1172013057 /nfs/dbraw/zinc/01/30/57/1172013057.db2.gz NPXYKDMHAZIVSE-YNEHKIRRSA-N -1 3 359.434 0.898 10 0 FCAEHM O=C(CN1CCN(c2ccccn2)CC1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898216995 1192862956 /nfs/dbraw/zinc/86/29/56/1192862956.db2.gz ZQFFFHLEGYSXIY-CQSZACIVSA-N -1 3 356.430 0.648 10 0 FCAEHM Cc1cnc(C(=O)N2C[C@@H](C)[C@H](CCNC(=O)c3cnc[n-]c3=O)C2)cn1 ZINC001719759582 1179898817 /nfs/dbraw/zinc/89/88/17/1179898817.db2.gz LWTRUFIQADTMKV-DGCLKSJQSA-N -1 3 370.413 0.809 10 0 FCAEHM CNC(=O)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(=O)[n-]c(C3CC3)n1)C2 ZINC001719836434 1186196193 /nfs/dbraw/zinc/19/61/93/1186196193.db2.gz ZXCILNOIUJUKHD-MDZLAQPJSA-N -1 3 373.413 0.057 10 0 FCAEHM C[C@@H](CN1CCOCC1)N(C)C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001687391021 1188352343 /nfs/dbraw/zinc/35/23/43/1188352343.db2.gz PSKGZOJDUQMMIZ-LBPRGKRZSA-N -1 3 365.434 0.117 10 0 FCAEHM O=C([C@@H]1C[C@H]1c1c[nH]cn1)N1CCCC[C@H]1CCNCc1n[nH]c(=O)[n-]1 ZINC001482449184 1189487754 /nfs/dbraw/zinc/48/77/54/1189487754.db2.gz GGLARGQBFCOWNZ-YNEHKIRRSA-N -1 3 359.434 0.898 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCO[C@@H](C(F)F)CC1 ZINC001648963637 1189880565 /nfs/dbraw/zinc/88/05/65/1189880565.db2.gz JZAHAJOZBGALEW-SNVBAGLBSA-N -1 3 367.374 0.452 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)[C@@H]3Cc4ccccc4C(=O)O3)CC2)n1 ZINC000899499611 1194164062 /nfs/dbraw/zinc/16/40/62/1194164062.db2.gz AICFEQZWVWKIHR-HNNXBMFYSA-N -1 3 368.393 0.921 10 0 FCAEHM COCc1nc([C@@H]2COCCN2C(=O)c2cc3c(cc2[O-])OCO3)no1 ZINC000436968692 1195618656 /nfs/dbraw/zinc/61/86/56/1195618656.db2.gz VQJJWFZGGVTWMD-JTQLQIEISA-N -1 3 363.326 0.864 10 0 FCAEHM CN1CCN(c2cc(C(=O)N3CCSC[C@@H]3c3nnn[n-]3)ccn2)CC1 ZINC000907472903 1195695109 /nfs/dbraw/zinc/69/51/09/1195695109.db2.gz DZHYMMHHHFPAJQ-CYBMUJFWSA-N -1 3 374.474 0.277 10 0 FCAEHM CN1CCN(c2cc(C(=O)N3CCSC[C@@H]3c3nn[n-]n3)ccn2)CC1 ZINC000907472903 1195695113 /nfs/dbraw/zinc/69/51/13/1195695113.db2.gz DZHYMMHHHFPAJQ-CYBMUJFWSA-N -1 3 374.474 0.277 10 0 FCAEHM COc1ccc([C@@]2(C(=O)N3CCCN(CC(=O)[O-])CC3)C[C@@H](O)C2)cc1 ZINC000911221025 1195918182 /nfs/dbraw/zinc/91/81/82/1195918182.db2.gz SVQUTBJATSKZQB-RHDGDCLCSA-N -1 3 362.426 0.707 10 0 FCAEHM C[C@@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)N(C)CC(=O)NC1CC1 ZINC000913302167 1196419692 /nfs/dbraw/zinc/41/96/92/1196419692.db2.gz PXCOUONEKIWQRP-SNVBAGLBSA-N -1 3 360.370 0.952 10 0 FCAEHM C[C@@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)N(C)CC(=O)NC1CC1 ZINC000913302167 1196419699 /nfs/dbraw/zinc/41/96/99/1196419699.db2.gz PXCOUONEKIWQRP-SNVBAGLBSA-N -1 3 360.370 0.952 10 0 FCAEHM COC(=O)[C@H](NC(=O)CCNC(=O)c1ccc(C)cc1[O-])c1ccnn1C ZINC000592890196 1196584093 /nfs/dbraw/zinc/58/40/93/1196584093.db2.gz TWIBNGFNXAKDPH-MRXNPFEDSA-N -1 3 374.397 0.585 10 0 FCAEHM CC1CCC2(CC1)NC(=O)N(CC(=O)NCCCc1c[n-][nH]c1=O)C2=O ZINC001168404419 1196719132 /nfs/dbraw/zinc/71/91/32/1196719132.db2.gz LFRVUWXKZHWMKT-VMBJYNEYSA-N -1 3 363.418 0.115 10 0 FCAEHM O=C(c1cccn1CCN1CCOCC1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000828184615 1197932819 /nfs/dbraw/zinc/93/28/19/1197932819.db2.gz GJQDSAMTNIRQDK-CQSZACIVSA-N -1 3 359.430 0.879 10 0 FCAEHM CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)Nc2nnc(OC)[n-]2)C1 ZINC000770457382 1200448276 /nfs/dbraw/zinc/44/82/76/1200448276.db2.gz UJQXMOQJNMPDKU-GFCCVEGCSA-N -1 3 358.358 0.950 10 0 FCAEHM CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)Nc2n[n-]c(OC)n2)C1 ZINC000770457382 1200448278 /nfs/dbraw/zinc/44/82/78/1200448278.db2.gz UJQXMOQJNMPDKU-GFCCVEGCSA-N -1 3 358.358 0.950 10 0 FCAEHM CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)Nc2nc(OC)n[n-]2)C1 ZINC000770457382 1200448280 /nfs/dbraw/zinc/44/82/80/1200448280.db2.gz UJQXMOQJNMPDKU-GFCCVEGCSA-N -1 3 358.358 0.950 10 0 FCAEHM COC(=O)c1cc(C)nc2nc(SCC(=O)c3cnn(C)n3)[n-]c(=O)c12 ZINC000789916622 1201040052 /nfs/dbraw/zinc/04/00/52/1201040052.db2.gz RHTCDQRNLGUQEW-UHFFFAOYSA-N -1 3 374.382 0.929 10 0 FCAEHM CC(C)OC(=O)CCNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001135749079 1203083309 /nfs/dbraw/zinc/08/33/09/1203083309.db2.gz DCNKKOXJWNVSEV-UHFFFAOYSA-N -1 3 363.345 0.945 10 0 FCAEHM CC(C)OC(=O)CCNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001135749079 1203083313 /nfs/dbraw/zinc/08/33/13/1203083313.db2.gz DCNKKOXJWNVSEV-UHFFFAOYSA-N -1 3 363.345 0.945 10 0 FCAEHM Cc1nc(C)c(CC(=O)N[C@H](C(=O)OCc2ccccc2)[C@H](C)O)c(=O)[n-]1 ZINC000817229629 1203098890 /nfs/dbraw/zinc/09/88/90/1203098890.db2.gz NKZTUYYGALGDPE-SJCJKPOMSA-N -1 3 373.409 0.951 10 0 FCAEHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)[C@H]1C[C@@H](O)CN1c1ccncn1 ZINC001136497474 1203216665 /nfs/dbraw/zinc/21/66/65/1203216665.db2.gz LETYPLIQXYQTIK-CHWSQXEVSA-N -1 3 352.358 0.235 10 0 FCAEHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@@H](O)CN1c1ccncn1 ZINC001136497474 1203216667 /nfs/dbraw/zinc/21/66/67/1203216667.db2.gz LETYPLIQXYQTIK-CHWSQXEVSA-N -1 3 352.358 0.235 10 0 FCAEHM CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCCc2c(C)[n-][nH]c2=O)c1 ZINC001136654214 1203244182 /nfs/dbraw/zinc/24/41/82/1203244182.db2.gz ZAMWBCCTTBHABQ-OAHLLOKOSA-N -1 3 359.386 0.845 10 0 FCAEHM C[C@H](C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC001144502317 1204542199 /nfs/dbraw/zinc/54/21/99/1204542199.db2.gz JIGPUZBIOZNUMS-YVECIDJPSA-N -1 3 360.414 0.995 10 0 FCAEHM O=C(CNC(=O)c1ccc(F)cc1)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001180028148 1206387726 /nfs/dbraw/zinc/38/77/26/1206387726.db2.gz OXGCAAWHJOTFSR-ZDUSSCGKSA-N -1 3 359.361 0.446 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)c2cc(C)nn2C2CCOCC2)[n-]1 ZINC001183194545 1206450204 /nfs/dbraw/zinc/45/02/04/1206450204.db2.gz ZTUGIASMOTXNFD-UHFFFAOYSA-N -1 3 362.390 0.768 10 0 FCAEHM C[C@@H](CCCCNC(=O)[C@@H]1C[C@H]1c1ccnn1C)NC(=O)c1cn[n-]n1 ZINC001489137853 1208640214 /nfs/dbraw/zinc/64/02/14/1208640214.db2.gz MCZFRKZJOGYGLW-YNEHKIRRSA-N -1 3 359.434 0.747 10 0 FCAEHM CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)[C@@H]1C ZINC001489247361 1208687735 /nfs/dbraw/zinc/68/77/35/1208687735.db2.gz NBRIWKVYHSASIU-HFAKWTLXSA-N -1 3 361.446 0.663 10 0 FCAEHM CC[C@@H](OC)C(=O)N[C@@H]1CN(C(=O)Cc2c(C)nc(C)[n-]c2=O)C[C@H]1C ZINC001489436532 1208829579 /nfs/dbraw/zinc/82/95/79/1208829579.db2.gz ANXYGYGQRSSTKC-VCTAVGKDSA-N -1 3 364.446 0.730 10 0 FCAEHM O=C(CCCC1CCCC1)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1 ZINC001489594099 1209017259 /nfs/dbraw/zinc/01/72/59/1209017259.db2.gz OGBMGSAYUGDIKS-CABCVRRESA-N -1 3 362.430 0.844 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@H]2CCN(C(=O)CCOC(C)C)C[C@H]21 ZINC001489665796 1209078962 /nfs/dbraw/zinc/07/89/62/1209078962.db2.gz HPFPRVPURDHRRM-ZIAGYGMSSA-N -1 3 362.430 0.979 10 0 FCAEHM O=C(CCn1ccnc1)N[C@@H]1CCCC[C@H]1NC(=O)c1cnc[n-]c1=O ZINC001489696964 1209092559 /nfs/dbraw/zinc/09/25/59/1209092559.db2.gz MDBIGRNQMMMXJY-ZIAGYGMSSA-N -1 3 358.402 0.626 10 0 FCAEHM C[C@]1(CCC(=O)NC[C@H]2CC[C@@H](NC(=O)c3cn[n-]n3)C2)CCC(=O)N1 ZINC001489889840 1209110827 /nfs/dbraw/zinc/11/08/27/1209110827.db2.gz LUQJUUUPEAPZGY-JKDFXYPNSA-N -1 3 362.434 0.268 10 0 FCAEHM Cn1cc([C@@H]2CN(C(=O)/C=C\C(C)(C)C)C[C@H]2NC(=O)c2cn[n-]n2)cn1 ZINC001489912912 1209152384 /nfs/dbraw/zinc/15/23/84/1209152384.db2.gz ZPAFVXHKGSGYHW-PKFHVXLBSA-N -1 3 371.445 0.865 10 0 FCAEHM CC=C(C)C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)n1 ZINC001489969375 1209185699 /nfs/dbraw/zinc/18/56/99/1209185699.db2.gz FPIUWQBVEOXKMK-CARBTIAZSA-N -1 3 360.414 0.948 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NCc1nc(CNC(=O)Cn2cccn2)cc(=O)[n-]1 ZINC001489969562 1209185803 /nfs/dbraw/zinc/18/58/03/1209185803.db2.gz GVMKXJWKUDOLJD-DGCLKSJQSA-N -1 3 358.402 0.357 10 0 FCAEHM Cn1[n-]c(CN(CCCNC(=O)[C@@H]2C[C@H]2c2cccnc2)C2CC2)nc1=O ZINC001490385787 1209330892 /nfs/dbraw/zinc/33/08/92/1209330892.db2.gz CEPHMSAJCGQWNB-JKSUJKDBSA-N -1 3 370.457 0.778 10 0 FCAEHM Cc1ncncc1C(=O)NCC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001490393140 1209332684 /nfs/dbraw/zinc/33/26/84/1209332684.db2.gz WAKSXGVUHMACFX-DGCLKSJQSA-N -1 3 370.413 0.809 10 0 FCAEHM CO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001490449889 1209343099 /nfs/dbraw/zinc/34/30/99/1209343099.db2.gz KHZGDMRWLRMZQU-RAIGVLPGSA-N -1 3 350.419 0.740 10 0 FCAEHM Cn1ccnc1C(=O)NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1 ZINC000853871653 1209607747 /nfs/dbraw/zinc/60/77/47/1209607747.db2.gz RETYUQXZCLHVPX-UHFFFAOYSA-N -1 3 362.390 0.870 10 0 FCAEHM CC(C)(C)OC(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@@H](O)C2CCC2)n1 ZINC000856336753 1209706048 /nfs/dbraw/zinc/70/60/48/1209706048.db2.gz XZPVUIVIEJKJLT-AWEZNQCLSA-N -1 3 366.418 0.984 10 0 FCAEHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)[C@H]2CCc3nncn3CC2)CC1 ZINC000878186797 1210456306 /nfs/dbraw/zinc/45/63/06/1210456306.db2.gz NGZQTQKQQKBRRP-HNNXBMFYSA-N -1 3 369.425 0.921 10 0 FCAEHM C[C@H](CNCc1cc(=O)n2[n-]ccc2n1)NC(=O)[C@]12CCC[C@H]1OCC2 ZINC001274843677 1211131996 /nfs/dbraw/zinc/13/19/96/1211131996.db2.gz UMNZRJUAZLKQBC-DFHBCGBQSA-N -1 3 359.430 0.576 10 0 FCAEHM CN(C)c1nc(C(=O)NC2CCN(C(=O)c3ccncc3)CC2)cc(=O)[n-]1 ZINC000545914941 1211426406 /nfs/dbraw/zinc/42/64/06/1211426406.db2.gz HKDHPTPLBTXBNC-UHFFFAOYSA-N -1 3 370.413 0.678 10 0 FCAEHM CN1C[C@H](CCNC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)CC1=O ZINC000924732281 1211478800 /nfs/dbraw/zinc/47/88/00/1211478800.db2.gz MYSODXLCQCWWLI-CQSZACIVSA-N -1 3 374.441 0.728 10 0 FCAEHM COC(=O)[C@@H]1CN(C)CCN(C(=O)NCCc2c(F)cc([O-])cc2F)C1 ZINC000927783777 1211581042 /nfs/dbraw/zinc/58/10/42/1211581042.db2.gz CVIHXGTWMXOTIS-LLVKDONJSA-N -1 3 371.384 0.959 10 0 FCAEHM CC[C@@H](CNC(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1)C(=O)[O-] ZINC000927957767 1211594417 /nfs/dbraw/zinc/59/44/17/1211594417.db2.gz ZRVGLEZMMOVQOZ-JKSUJKDBSA-N -1 3 361.442 0.946 10 0 FCAEHM Cn1nncc1C(=O)COC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000803280093 1218381601 /nfs/dbraw/zinc/38/16/01/1218381601.db2.gz UGQQBTIKRWMTIA-LBPRGKRZSA-N -1 3 358.354 0.551 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(C(=O)c3cccn(C)c3=O)CC2)n[n-]1 ZINC001116820432 1221392836 /nfs/dbraw/zinc/39/28/36/1221392836.db2.gz CXGGFPHGTKCCKP-UHFFFAOYSA-N -1 3 359.386 0.700 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(C(=O)c3cccn(C)c3=O)CC2)[n-]1 ZINC001116820432 1221392842 /nfs/dbraw/zinc/39/28/42/1221392842.db2.gz CXGGFPHGTKCCKP-UHFFFAOYSA-N -1 3 359.386 0.700 10 0 FCAEHM COC(=O)C1CC2(C1)CN(CC(=O)N1C[C@H](C)O[C@@H](C)C1)C[C@@H]2C(=O)[O-] ZINC001119607053 1221939611 /nfs/dbraw/zinc/93/96/11/1221939611.db2.gz WEWIZFGFHKOIDD-QUTOIKEYSA-N -1 3 368.430 0.208 10 0 FCAEHM O=C(c1ccc([O-])cc1)N1CCN(c2nnnn2C[C@H]2CCCO2)CC1 ZINC001119646842 1221944318 /nfs/dbraw/zinc/94/43/18/1221944318.db2.gz CKISBWFEQMWYAF-OAHLLOKOSA-N -1 3 358.402 0.520 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])N1C[C@@H](O)CC(F)(F)C1 ZINC000830818306 1222482172 /nfs/dbraw/zinc/48/21/72/1222482172.db2.gz NXZOVDYFYWAGGH-NSHDSACASA-N -1 3 369.299 0.716 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c([O-])cc1=O)N1C[C@@H](O)CC(F)(F)C1 ZINC000830818306 1222482176 /nfs/dbraw/zinc/48/21/76/1222482176.db2.gz NXZOVDYFYWAGGH-NSHDSACASA-N -1 3 369.299 0.716 10 0 FCAEHM Cc1nc(NC(=O)c2cc3c(cc2[O-])OCO3)c(C(=O)NCCO)n1C ZINC000834406925 1222572064 /nfs/dbraw/zinc/57/20/64/1222572064.db2.gz MKAIVOIYRBWOGM-UHFFFAOYSA-N -1 3 362.342 0.137 10 0 FCAEHM O=C(N[C@H]1CCn2ccnc21)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001141290747 1222646304 /nfs/dbraw/zinc/64/63/04/1222646304.db2.gz NQOCRBWSAOVUGL-LBPRGKRZSA-N -1 3 355.329 0.945 10 0 FCAEHM O=C(N[C@H]1CCn2ccnc21)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001141290747 1222646309 /nfs/dbraw/zinc/64/63/09/1222646309.db2.gz NQOCRBWSAOVUGL-LBPRGKRZSA-N -1 3 355.329 0.945 10 0 FCAEHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)c1cn(C[C@@H]2CCOC2)nn1 ZINC001141843367 1222783031 /nfs/dbraw/zinc/78/30/31/1222783031.db2.gz DWOSPIZBKSWIDR-LBPRGKRZSA-N -1 3 354.374 0.671 10 0 FCAEHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)c1cn(C[C@@H]2CCOC2)nn1 ZINC001141843367 1222783035 /nfs/dbraw/zinc/78/30/35/1222783035.db2.gz DWOSPIZBKSWIDR-LBPRGKRZSA-N -1 3 354.374 0.671 10 0 FCAEHM C[C@@H](O)[C@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])CCO1 ZINC000840567222 1222794557 /nfs/dbraw/zinc/79/45/57/1222794557.db2.gz RRIQISGHHVHWLU-QMTHXVAHSA-N -1 3 363.345 0.096 10 0 FCAEHM C[C@@H](O)[C@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)CCO1 ZINC000840567222 1222794560 /nfs/dbraw/zinc/79/45/60/1222794560.db2.gz RRIQISGHHVHWLU-QMTHXVAHSA-N -1 3 363.345 0.096 10 0 FCAEHM CNC(=O)COc1cccc(CC(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)c1 ZINC001164321581 1223237662 /nfs/dbraw/zinc/23/76/62/1223237662.db2.gz IRTMPINDBGIAJU-ZDUSSCGKSA-N -1 3 358.398 0.799 10 0 FCAEHM COC(=O)CCN1CCC[C@@H](OC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C1=O ZINC000849725582 1245413207 /nfs/dbraw/zinc/41/32/07/1245413207.db2.gz BLLLESQNBRRVJK-CYBMUJFWSA-N -1 3 374.349 0.281 10 0 FCAEHM CCC[C@@H](C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001515179298 1265455887 /nfs/dbraw/zinc/45/58/87/1265455887.db2.gz MACUPYRRBLMEEX-OSAQELSMSA-N -1 3 359.434 0.699 10 0 FCAEHM C[C@@H]1CCN(C(=O)c2cnc[n-]c2=O)[C@H](CNC(=O)Cn2cccn2)C1 ZINC001515315465 1265500811 /nfs/dbraw/zinc/50/08/11/1265500811.db2.gz JYJNVGIOMMGWNW-OLZOCXBDSA-N -1 3 358.402 0.436 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NC[C@H]1COCCN1C ZINC001329192036 1265709431 /nfs/dbraw/zinc/70/94/31/1265709431.db2.gz RRCAMTGWTGBUSG-AWEZNQCLSA-N -1 3 357.414 0.130 10 0 FCAEHM CC(C)(F)C(=O)NCc1nc(CNC(=O)[C@]23C[C@H]2COC3)cc(=O)[n-]1 ZINC001519536835 1265729331 /nfs/dbraw/zinc/72/93/31/1265729331.db2.gz PPFKSOASRUTIBW-FVMDXXJSSA-N -1 3 352.366 0.199 10 0 FCAEHM COC(=O)[C@]1(N2CCN(C(=O)Cc3ccc([O-])c(F)c3)CC2)CCOC1 ZINC001329511541 1265772580 /nfs/dbraw/zinc/77/25/80/1265772580.db2.gz BNBVNKIZSFBGSY-SFHVURJKSA-N -1 3 366.389 0.550 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2cnc[n-]c2=O)CCN1C(=O)[C@H](C)CCOC ZINC001519876027 1265791263 /nfs/dbraw/zinc/79/12/63/1265791263.db2.gz JWQUDFAUDAKTGF-KWCYVHTRSA-N -1 3 350.419 0.964 10 0 FCAEHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCN(CCc2cnccn2)CC1 ZINC001329668448 1265806981 /nfs/dbraw/zinc/80/69/81/1265806981.db2.gz VPEMDHIQQLGVRU-UHFFFAOYSA-N -1 3 354.414 0.850 10 0 FCAEHM C[C@H](OCC1CC1)C(=O)NC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001521829631 1266187365 /nfs/dbraw/zinc/18/73/65/1266187365.db2.gz YGEXGUKPRIJZJS-MBNYWOFBSA-N -1 3 362.430 0.822 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](CNC(=O)CC2(O)CCC2)[C@H](C)C1 ZINC001521910992 1266213757 /nfs/dbraw/zinc/21/37/57/1266213757.db2.gz IORRMNGSVSWHFP-DGCLKSJQSA-N -1 3 362.430 0.620 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCC[C@@H](NC(=O)C3(N4CCOCC4)CC3)C2)n1 ZINC001521937983 1266242971 /nfs/dbraw/zinc/24/29/71/1266242971.db2.gz NPISMZCNGIHUKS-CQSZACIVSA-N -1 3 361.446 0.440 10 0 FCAEHM CCN1CC[C@H](NC(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)C1=O ZINC001335584916 1259729792 /nfs/dbraw/zinc/72/97/92/1259729792.db2.gz NNVGKGDXSDKZQA-ZDUSSCGKSA-N -1 3 372.422 0.617 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NC[C@@H](O)CN1CCCC1=O ZINC001253296006 1259832162 /nfs/dbraw/zinc/83/21/62/1259832162.db2.gz VGCQHQDWEBFLOL-LLVKDONJSA-N -1 3 373.413 0.264 10 0 FCAEHM C[C@@H](CNC(=O)[C@]12C[C@H]1COC2)N(C)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001280495577 1261064118 /nfs/dbraw/zinc/06/41/18/1261064118.db2.gz QWNLSBKCHXGHTB-RSNWOKGLSA-N -1 3 360.414 0.673 10 0 FCAEHM CC[C@H](C)OCC(=O)N1C[C@H]2CCN(C(=O)c3c(C)nc[n-]c3=O)C[C@H]21 ZINC001281954496 1261307097 /nfs/dbraw/zinc/30/70/97/1261307097.db2.gz QJNWOGAZUJKCCF-IACUBPJLSA-N -1 3 362.430 0.979 10 0 FCAEHM CCC=C(C)C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@]23C[C@H]2COC3)n1 ZINC001282231564 1261386867 /nfs/dbraw/zinc/38/68/67/1261386867.db2.gz AMAUFRSOCVFUAK-ORTXWATBSA-N -1 3 360.414 0.807 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)CCCC(N)=O)CCN1C(=O)c1c(C)nc[n-]c1=O ZINC001282265333 1261396869 /nfs/dbraw/zinc/39/68/69/1261396869.db2.gz MQTVUPQPIAIRRH-NWDGAFQWSA-N -1 3 363.418 0.256 10 0 FCAEHM CCCCOCC(=O)N1C[C@H]2CCN(C(=O)c3cnc[n-]c3=O)C[C@H]2C1 ZINC001282290946 1261404879 /nfs/dbraw/zinc/40/48/79/1261404879.db2.gz NRGZRIZQKVLWMJ-KGLIPLIRSA-N -1 3 362.430 0.919 10 0 FCAEHM Cn1nc(C2CCOCC2)cc1C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001472253837 1261456048 /nfs/dbraw/zinc/45/60/48/1261456048.db2.gz CELCBLPEILBRGD-CYBMUJFWSA-N -1 3 372.429 0.818 10 0 FCAEHM COCCCS(=O)(=O)[N-]CC(=O)N=[S@@](C)(=O)c1ccccc1F ZINC001472333892 1261459283 /nfs/dbraw/zinc/45/92/83/1261459283.db2.gz LSSIPSDXPUEQOV-QFIPXVFZSA-N -1 3 366.436 0.765 10 0 FCAEHM COCCC(=O)NC[C@@H]1CN(C(=O)Cc2c(C)nc(C)[n-]c2=O)C[C@H]1C ZINC001282456914 1261463073 /nfs/dbraw/zinc/46/30/73/1261463073.db2.gz GHKHRHUCRGGYCH-BXUZGUMPSA-N -1 3 364.446 0.589 10 0 FCAEHM C[C@@H]1C[C@@H](C(=O)NCC(=O)Nc2cccc3c(=O)[nH][n-]c(=O)c23)[C@@H](C)O1 ZINC001472495970 1261471158 /nfs/dbraw/zinc/47/11/58/1261471158.db2.gz HDGKDIJVSAJLOH-FXPVBKGRSA-N -1 3 360.370 0.909 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)c2ccc3c(c2)C(=O)NCCO3)[n-]1 ZINC001472545350 1261473816 /nfs/dbraw/zinc/47/38/16/1261473816.db2.gz KNFLACUTTNIGEB-UHFFFAOYSA-N -1 3 359.342 0.034 10 0 FCAEHM Cc1nc(C)c(CCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C)C2)c(=O)[n-]1 ZINC001472626277 1261480456 /nfs/dbraw/zinc/48/04/56/1261480456.db2.gz IQPPNFRAZSBMEB-BLLLJJGKSA-N -1 3 353.444 0.625 10 0 FCAEHM O=C(COCc1ccccc1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn[n-]n1)C2 ZINC001282757931 1261613209 /nfs/dbraw/zinc/61/32/09/1261613209.db2.gz ZHJSLPOVNALHKH-FMKPAKJESA-N -1 3 355.398 0.883 10 0 FCAEHM CC[C@H](OC)C(=O)N1CC[C@H](NC(=O)CCc2c(C)nc[n-]c2=O)[C@H]1C ZINC001345478899 1261717531 /nfs/dbraw/zinc/71/75/31/1261717531.db2.gz IAAJXBSKEKAPMH-SNPRPXQTSA-N -1 3 364.446 0.954 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001284253348 1261739603 /nfs/dbraw/zinc/73/96/03/1261739603.db2.gz XLSCKEJYEXNYKX-LEWSCRJBSA-N -1 3 355.398 0.924 10 0 FCAEHM C[C@@H](CNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001284295215 1261745285 /nfs/dbraw/zinc/74/52/85/1261745285.db2.gz CXTNBEDEKIYACN-PVRXDPTQSA-N -1 3 371.393 0.372 10 0 FCAEHM CCN(CCNC(=O)c1cnc[n-]c1=O)C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001284622852 1261772086 /nfs/dbraw/zinc/77/20/86/1261772086.db2.gz GDQKFPKPWJZGSJ-UONOGXRCSA-N -1 3 355.398 0.959 10 0 FCAEHM CN(CC(C)(C)CNC(=O)c1cnc[n-]c1=O)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001285538368 1261850186 /nfs/dbraw/zinc/85/01/86/1261850186.db2.gz CNBRBHBPDDAHER-MIBAYGRRSA-N -1 3 374.441 0.820 10 0 FCAEHM CN(C(=O)[C@@H]1C[C@H]1c1c[nH]cn1)[C@@H](CNC(=O)c1cnc[n-]c1=O)C1CC1 ZINC001287527251 1261960795 /nfs/dbraw/zinc/96/07/95/1261960795.db2.gz KBVMUWSQCHYHGT-JMSVASOKSA-N -1 3 370.413 0.676 10 0 FCAEHM C[C@@H](CC(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1O)n1ccnc1 ZINC001289074351 1262093143 /nfs/dbraw/zinc/09/31/43/1262093143.db2.gz CTCAPAFSOZBOCQ-JGGQBBKZSA-N -1 3 358.398 0.542 10 0 FCAEHM CC/C(C)=C/C(=O)N1C[C@@H](NC(=O)CCc2c(C)nc[n-]c2=O)[C@@H](O)C1 ZINC001289673714 1262300572 /nfs/dbraw/zinc/30/05/72/1262300572.db2.gz HTZVJDMVXJEQCZ-CYSMCQCQSA-N -1 3 362.430 0.467 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N1C[C@@H](NC(=O)[C@@H](C)C(C)C)[C@@H](O)C1 ZINC001289745580 1262332512 /nfs/dbraw/zinc/33/25/12/1262332512.db2.gz RQCLZDCAZOZRRS-GLQYFDAESA-N -1 3 364.446 0.403 10 0 FCAEHM Cc1n[nH]c(C(=O)N[C@@H]2CC[C@H](CNC(=O)CN3CC[C@H](C)C3)C2)c1[O-] ZINC001290220230 1262402844 /nfs/dbraw/zinc/40/28/44/1262402844.db2.gz WMWWSWJYECGLKD-FPMFFAJLSA-N -1 3 363.462 0.780 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)N1CCC[C@H](N(CCO)C(=O)c2cnc[n-]c2=O)C1 ZINC001290488009 1262454417 /nfs/dbraw/zinc/45/44/17/1262454417.db2.gz WFBDKYISPBDFRP-HZSPNIEDSA-N -1 3 362.430 0.654 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)c2cnc[n-]c2=O)CCN1C(=O)CCCn1cccn1 ZINC001290656482 1262487274 /nfs/dbraw/zinc/48/72/74/1262487274.db2.gz VPEWMGLGORQLTR-OCCSQVGLSA-N -1 3 358.402 0.578 10 0 FCAEHM C[C@]12CN(C(=O)COCC3CC3)C[C@H]1CN(C(=O)c1cnc[n-]c1=O)C2 ZINC001290800926 1262509462 /nfs/dbraw/zinc/50/94/62/1262509462.db2.gz JTEDVQCMYKBSFE-SCLBCKFNSA-N -1 3 360.414 0.529 10 0 FCAEHM Cc1[nH]nc(C(=O)N2C[C@@H](CNC(=O)CN3CC[C@H](C)C3)[C@H](C)C2)c1[O-] ZINC001290995687 1262550979 /nfs/dbraw/zinc/55/09/79/1262550979.db2.gz LAYRKZKOSLFPPC-OUCADQQQSA-N -1 3 363.462 0.590 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C(=Cc1ccc(F)cc1)n1nnnc1C ZINC001292969523 1262706703 /nfs/dbraw/zinc/70/67/03/1262706703.db2.gz KOQULTSTRDRFBF-WJQTUHTMSA-N -1 3 371.376 0.747 10 0 FCAEHM CCOC(Cn1ncc(C(=O)NCCc2c(C)[n-][nH]c2=O)c1N)OCC ZINC001292969250 1262706826 /nfs/dbraw/zinc/70/68/26/1262706826.db2.gz FEFIQVOQLWXIQF-NSHDSACASA-N -1 3 366.422 0.106 10 0 FCAEHM CN(CCCNC(=O)c1cnc[n-]c1=O)C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001294151903 1262727232 /nfs/dbraw/zinc/72/72/32/1262727232.db2.gz MUCBLUOAASMZTJ-UONOGXRCSA-N -1 3 355.398 0.959 10 0 FCAEHM CCN(CCNC(=O)[C@]12C[C@H]1COC2)C(=O)CCc1c(C)nc[n-]c1=O ZINC001296319730 1262804028 /nfs/dbraw/zinc/80/40/28/1262804028.db2.gz MPTSTONCRNJAKP-UGSOOPFHSA-N -1 3 362.430 0.424 10 0 FCAEHM O=C(N[C@@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1ccccc1)c1cn[n-]n1 ZINC001296758772 1262834098 /nfs/dbraw/zinc/83/40/98/1262834098.db2.gz BXFPMNMYUAOTCX-NYTXWWLZSA-N -1 3 355.398 0.960 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(C)C ZINC001297996052 1262904402 /nfs/dbraw/zinc/90/44/02/1262904402.db2.gz JWQZWXRVZWFXNU-IZBGITOTSA-N -1 3 374.441 0.785 10 0 FCAEHM O=C(Cn1cnc(-c2ccccc2)cc1=O)NCCCc1cc(=O)[nH][n-]1 ZINC001298797121 1262942543 /nfs/dbraw/zinc/94/25/43/1262942543.db2.gz ZREIGYJWYNGHRY-UHFFFAOYSA-N -1 3 353.382 0.683 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NCC1(NC(=O)[C@]23CCC[C@H]2OCC3)CC1 ZINC001299222074 1262958481 /nfs/dbraw/zinc/95/84/81/1262958481.db2.gz SGPUEQNJTHTWDP-XIKOKIGWSA-N -1 3 360.414 0.828 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCN(CCO)C[C@H]1C ZINC001299282092 1262963547 /nfs/dbraw/zinc/96/35/47/1262963547.db2.gz XZMLPZXLZCHDEN-CYBMUJFWSA-N -1 3 371.441 0.208 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@@]1(C)CCN(C(=O)[C@]23C[C@H]2COC3)C1 ZINC001299619097 1262971173 /nfs/dbraw/zinc/97/11/73/1262971173.db2.gz PSKBBAOMWTVDHX-RZAIGCCYSA-N -1 3 360.414 0.496 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)c1cn(CCO)nc1C1CCOCC1 ZINC001301570411 1263011828 /nfs/dbraw/zinc/01/18/28/1263011828.db2.gz GEGXVCFRHXFEGH-CYBMUJFWSA-N -1 3 363.418 0.011 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CCN(c2cccnn2)CC1 ZINC001479506828 1263233740 /nfs/dbraw/zinc/23/37/40/1263233740.db2.gz GBOGADSPNAWVQZ-ZDUSSCGKSA-N -1 3 370.417 0.083 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N[C@H]1Cc2ccccc2NC1=O ZINC001479506369 1263234517 /nfs/dbraw/zinc/23/45/17/1263234517.db2.gz CXSSTOJXDBZAOR-OCCSQVGLSA-N -1 3 368.397 0.624 10 0 FCAEHM CC(=O)NC1(C(=O)NC[C@H]2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)CCCC1 ZINC001316662330 1263405864 /nfs/dbraw/zinc/40/58/64/1263405864.db2.gz NIYZJCQOVVFTQW-QWHCGFSZSA-N -1 3 364.450 0.334 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2cnc[n-]c2=O)CCN1CC(=O)N[C@@H](C)C1CC1 ZINC001316732403 1263438499 /nfs/dbraw/zinc/43/84/99/1263438499.db2.gz DEYHLHUWPGRVSK-TUKIKUTGSA-N -1 3 361.446 0.680 10 0 FCAEHM CC[C@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)NCc1cc(=O)n2[n-]ccc2n1 ZINC001318547305 1263585697 /nfs/dbraw/zinc/58/56/97/1263585697.db2.gz CKWSJULHTNLNDM-SCGCMHLBSA-N -1 3 373.457 0.822 10 0 FCAEHM O=C(N[C@H](CNC(=O)[C@@H]1CCO[C@H]1c1ccncc1)C1CC1)c1cn[n-]n1 ZINC001493574783 1263728888 /nfs/dbraw/zinc/72/88/88/1263728888.db2.gz ZCOXTNQRBRDHPA-FMKPAKJESA-N -1 3 370.413 0.602 10 0 FCAEHM CC(C)N(CCCNC(=O)[C@@H]1C[C@H]1c1cncn1C)Cc1n[nH]c(=O)[n-]1 ZINC001493870006 1263743543 /nfs/dbraw/zinc/74/35/43/1263743543.db2.gz QNMOIBMISVDCJY-CHWSQXEVSA-N -1 3 361.450 0.764 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCc1nnc2n1CCOC2 ZINC001320712476 1263843212 /nfs/dbraw/zinc/84/32/12/1263843212.db2.gz DTYFMRPRWFCBQM-UHFFFAOYSA-N -1 3 369.385 0.603 10 0 FCAEHM CC(C)[C@@H](CNC(=O)[C@]12C[C@H]1COC2)NCc1cc(=O)n2[n-]ccc2n1 ZINC001496561693 1263879342 /nfs/dbraw/zinc/87/93/42/1263879342.db2.gz MBCIKTODSXGBHE-WRSAYESZSA-N -1 3 359.430 0.290 10 0 FCAEHM CCC[C@@H]1C[C@H]1C(=O)N(C)C[C@H](O)CNCc1cc(=O)n2[n-]ccc2n1 ZINC001507501193 1264367702 /nfs/dbraw/zinc/36/77/02/1264367702.db2.gz IZQSUBPTZWEPJY-BPLDGKMQSA-N -1 3 361.446 0.368 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@@H](C)N(C)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001509031957 1264432506 /nfs/dbraw/zinc/43/25/06/1264432506.db2.gz XEWCMGYCSCCCJS-YVLXSGLVSA-N -1 3 362.430 0.882 10 0 FCAEHM O=C(NC1(CCO)CN(C(=O)[C@@H]2C[C@H]2c2ccsc2)C1)c1cn[n-]n1 ZINC001509182527 1264442641 /nfs/dbraw/zinc/44/26/41/1264442641.db2.gz HMJBUXHYGXXLJK-NWDGAFQWSA-N -1 3 361.427 0.363 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NCC[C@@H](NC(=O)[C@]12C[C@H]1COC2)C(C)C ZINC001510272544 1264491312 /nfs/dbraw/zinc/49/13/12/1264491312.db2.gz GYMINVWXLRBVRF-JCGVRSQUSA-N -1 3 362.430 0.788 10 0 FCAEHM CCC[C@H](CC(C)C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001512984611 1264795012 /nfs/dbraw/zinc/79/50/12/1264795012.db2.gz QZMNXXWAXYTUBL-BPLDGKMQSA-N -1 3 364.446 0.946 10 0 FCAEHM O=C(C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)N1CC[C@@]12CCOC2 ZINC001325468492 1264896990 /nfs/dbraw/zinc/89/69/90/1264896990.db2.gz DBKPNJMMVUSXIE-IBGZPJMESA-N -1 3 373.409 0.068 10 0 FCAEHM CO[C@H](C)C(=O)N[C@@H]1CC[C@H](CNC(=O)Cc2c(C)nc(C)[n-]c2=O)C1 ZINC001515052381 1265410181 /nfs/dbraw/zinc/41/01/81/1265410181.db2.gz LAGMEDPJXDLCMV-KWCYVHTRSA-N -1 3 364.446 0.778 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cn[nH]n1 ZINC001522301323 1266479047 /nfs/dbraw/zinc/47/90/47/1266479047.db2.gz VCZJHKQUWYDZCA-QKCSRTOESA-N -1 3 371.401 0.103 10 0 FCAEHM Cc1cc(NC(=O)C(=O)NCc2nc(C(F)(F)F)n[n-]2)c(N(C)C)nn1 ZINC001333321973 1266578887 /nfs/dbraw/zinc/57/88/87/1266578887.db2.gz SOLYHFUQEDTIEG-UHFFFAOYSA-N -1 3 372.311 0.243 10 0 FCAEHM C(Cc1nnc(N2CC[C@H](C3CC3)C2)n1C[C@@H]1CCCO1)c1nnn[n-]1 ZINC001525274408 1266749994 /nfs/dbraw/zinc/74/99/94/1266749994.db2.gz BMLKMWRPBOUNJK-KBPBESRZSA-N -1 3 358.450 0.992 10 0 FCAEHM C(Cc1nnc(N2CC[C@H](C3CC3)C2)n1C[C@@H]1CCCO1)c1nn[n-]n1 ZINC001525274408 1266749998 /nfs/dbraw/zinc/74/99/98/1266749998.db2.gz BMLKMWRPBOUNJK-KBPBESRZSA-N -1 3 358.450 0.992 10 0 FCAEHM C(Cc1nnc(N2C[C@@H]3CCC[C@@H]3C2)n1C[C@H]1CCCO1)c1nnn[n-]1 ZINC001525277182 1266750332 /nfs/dbraw/zinc/75/03/32/1266750332.db2.gz YJKJNGHGWGKEKJ-HZSPNIEDSA-N -1 3 358.450 0.992 10 0 FCAEHM C(Cc1nnc(N2C[C@@H]3CCC[C@@H]3C2)n1C[C@H]1CCCO1)c1nn[n-]n1 ZINC001525277182 1266750340 /nfs/dbraw/zinc/75/03/40/1266750340.db2.gz YJKJNGHGWGKEKJ-HZSPNIEDSA-N -1 3 358.450 0.992 10 0 FCAEHM COC(=O)c1[n-]cnc1NC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC001525802289 1266768892 /nfs/dbraw/zinc/76/88/92/1266768892.db2.gz DXRGYDJYBNPSAA-LLVKDONJSA-N -1 3 356.338 0.654 10 0 FCAEHM COC(=O)c1nc[n-]c1NC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC001525802289 1266768898 /nfs/dbraw/zinc/76/88/98/1266768898.db2.gz DXRGYDJYBNPSAA-LLVKDONJSA-N -1 3 356.338 0.654 10 0 FCAEHM CO[C@H](C(=O)NC1CCN(c2nc(C)cc(=O)[n-]2)CC1)[C@@H]1CCOC1 ZINC001529076213 1267022213 /nfs/dbraw/zinc/02/22/13/1267022213.db2.gz NFBZFCKHGBQBDJ-DOMZBBRYSA-N -1 3 350.419 0.627 10 0 FCAEHM O=C(CN1CCCC2(CC2)S1(=O)=O)N1CCCc2c(=O)[n-]cnc21 ZINC001536200889 1267319352 /nfs/dbraw/zinc/31/93/52/1267319352.db2.gz SPVGGJJPRVLXKW-UHFFFAOYSA-N -1 3 352.416 0.420 10 0 FCAEHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)[C@H]1CC[C@@H](C(=O)OC)O1 ZINC001538876663 1267415461 /nfs/dbraw/zinc/41/54/61/1267415461.db2.gz PMCIWTMSTYYQGW-BDAKNGLRSA-N -1 3 354.315 0.247 10 0 FCAEHM C[C@@H]1CC(=O)NN1C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC001542585460 1267500512 /nfs/dbraw/zinc/50/05/12/1267500512.db2.gz GNCIWYBLLNFRKI-SSDOTTSWSA-N -1 3 366.226 0.924 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N(CC(=O)OC)CC(=O)OC)c1 ZINC001542804075 1267507887 /nfs/dbraw/zinc/50/78/87/1267507887.db2.gz XCWQZOHVVCOZNK-UHFFFAOYSA-N -1 3 350.327 0.305 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC001542942021 1267514283 /nfs/dbraw/zinc/51/42/83/1267514283.db2.gz NUGIYAMAABOPQA-MRVPVSSYSA-N -1 3 350.762 0.913 10 0 FCAEHM Cc1nc(C)c(CC(=O)NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)c(=O)[n-]1 ZINC001545221782 1267608789 /nfs/dbraw/zinc/60/87/89/1267608789.db2.gz ZSYHJRIZOHGFHZ-DIFFPNOSSA-N -1 3 361.402 0.178 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N(C)C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001338667352 1268032183 /nfs/dbraw/zinc/03/21/83/1268032183.db2.gz SADHIVMTWXTEHL-HZSPNIEDSA-N -1 3 362.430 0.428 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H]2CCN(C(=O)COCC3CC3)[C@@H]2C1 ZINC001340918779 1268709343 /nfs/dbraw/zinc/70/93/43/1268709343.db2.gz VHEPDIBYTSMHNN-UONOGXRCSA-N -1 3 360.414 0.590 10 0 FCAEHM COC[C@@H](C)CC(=O)N1CC[C@H]2CN(C(=O)c3c(C)nc[n-]c3=O)C[C@H]21 ZINC001341159328 1268819127 /nfs/dbraw/zinc/81/91/27/1268819127.db2.gz MUXPOISGASHGNP-FPMFFAJLSA-N -1 3 362.430 0.836 10 0 FCAEHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cc(N3CCOCC3)ncn2)n1 ZINC001557315115 1268942466 /nfs/dbraw/zinc/94/24/66/1268942466.db2.gz VVZWEPKVCFTTJW-UHFFFAOYSA-N -1 3 358.402 0.782 10 0 FCAEHM COC(=O)[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)[C@H]1CCC[C@@H](OC)C1 ZINC001557327705 1268944091 /nfs/dbraw/zinc/94/40/91/1268944091.db2.gz FNLUYXNEAQEPHT-ZKYQVNSYSA-N -1 3 374.401 0.738 10 0 FCAEHM COC(=O)[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)[C@H]1CCC[C@@H](OC)C1 ZINC001557327705 1268944099 /nfs/dbraw/zinc/94/40/99/1268944099.db2.gz FNLUYXNEAQEPHT-ZKYQVNSYSA-N -1 3 374.401 0.738 10 0 FCAEHM C/C=C(/C)C(=O)N[C@@H]1CN(C(=O)c2c[n-]c3ccccc3c2=O)C[C@H]1O ZINC001341339723 1268944231 /nfs/dbraw/zinc/94/42/31/1268944231.db2.gz YLRUYARBBZQCHG-DGZVSSRSSA-N -1 3 355.394 0.796 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)[C@@H](O)[C@H](O)c1nc2ccccc2s1 ZINC001557702523 1268968226 /nfs/dbraw/zinc/96/82/26/1268968226.db2.gz WFYDEJFPVPQBID-XDTLVQLUSA-N -1 3 362.411 0.319 10 0 FCAEHM CCc1ccc(S(C)(=O)=O)cc1C(=O)NCCCc1c[n-][nH]c1=O ZINC001557701254 1268968574 /nfs/dbraw/zinc/96/85/74/1268968574.db2.gz HQZGAHYPIWCVOC-LBPRGKRZSA-N -1 3 351.428 0.894 10 0 FCAEHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)CCN1C(=O)[C@@H]3CCCC[C@H]3C1=O)C2 ZINC001557741292 1268973137 /nfs/dbraw/zinc/97/31/37/1268973137.db2.gz KNZPUGUAXFWWTN-VXGBXAGGSA-N -1 3 358.398 0.898 10 0 FCAEHM COC(=O)[C@@H](CC1OCCO1)NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC001558046571 1269011544 /nfs/dbraw/zinc/01/15/44/1269011544.db2.gz JNKSLANLGSZWFZ-GFCCVEGCSA-N -1 3 352.343 0.385 10 0 FCAEHM CCCC[C@@H](CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001341541259 1269067293 /nfs/dbraw/zinc/06/72/93/1269067293.db2.gz ATXBHPOSDUSHPU-MRVWCRGKSA-N -1 3 350.419 0.700 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCC[C@@H](NC(=O)c3ccnc4n[nH]nc43)C2)n1 ZINC001558349881 1269075727 /nfs/dbraw/zinc/07/57/27/1269075727.db2.gz JDBSILYQQKLLHD-SNVBAGLBSA-N -1 3 354.374 0.556 10 0 FCAEHM O=C(NC[C@@H]1CCN1C1CCOCC1)c1nc[n-]c(=O)c1Br ZINC001558538046 1269107856 /nfs/dbraw/zinc/10/78/56/1269107856.db2.gz ATGVFANFRGSFBN-JTQLQIEISA-N -1 3 371.235 0.928 10 0 FCAEHM O=C(CN1CCC(Cc2nnn[n-]2)CC1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC001560114718 1269187688 /nfs/dbraw/zinc/18/76/88/1269187688.db2.gz YJMDEEFQPTVYHF-UHFFFAOYSA-N -1 3 356.390 0.675 10 0 FCAEHM O=C(CN1CCC(Cc2nn[n-]n2)CC1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC001560114718 1269187690 /nfs/dbraw/zinc/18/76/90/1269187690.db2.gz YJMDEEFQPTVYHF-UHFFFAOYSA-N -1 3 356.390 0.675 10 0 FCAEHM O=C(NCc1nc(C(F)(F)F)no1)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001565289847 1269462051 /nfs/dbraw/zinc/46/20/51/1269462051.db2.gz UPRPIMBJZGULBR-SSDOTTSWSA-N -1 3 373.295 0.662 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC001565612706 1269482472 /nfs/dbraw/zinc/48/24/72/1269482472.db2.gz ZJAKZKNRQXGOGE-NWDGAFQWSA-N -1 3 365.411 0.240 10 0 FCAEHM COc1ccc(OC)c(C2=NO[C@H](C(=O)NCCc3c(C)[n-][nH]c3=O)C2)c1 ZINC001565612218 1269482794 /nfs/dbraw/zinc/48/27/94/1269482794.db2.gz HANQGWXEYRBSDO-LRDDRELGSA-N -1 3 374.397 0.825 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C1=NO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001565612191 1269483216 /nfs/dbraw/zinc/48/32/16/1269483216.db2.gz GCSYXRVTGQUPCR-MNOVXSKESA-N -1 3 367.406 0.284 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N(CCO)CCN2CCOCC2)c1 ZINC001566526995 1269651057 /nfs/dbraw/zinc/65/10/57/1269651057.db2.gz BNWPVUXAPVJUEK-UHFFFAOYSA-N -1 3 363.414 0.283 10 0 FCAEHM CC(C)(C)OC(=O)c1cc(NC(=O)CCN2C(=O)CCNC2=S)[n-]n1 ZINC001570609406 1269904348 /nfs/dbraw/zinc/90/43/48/1269904348.db2.gz DDUSFQPMLBRBRA-UHFFFAOYSA-N -1 3 367.431 0.800 10 0 FCAEHM CC(C)(C)OC(=O)c1cc(NC(=O)CCN2C(=O)CCNC2=S)n[n-]1 ZINC001570609406 1269904354 /nfs/dbraw/zinc/90/43/54/1269904354.db2.gz DDUSFQPMLBRBRA-UHFFFAOYSA-N -1 3 367.431 0.800 10 0 FCAEHM CC(C)[C@@H](CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)NCc1n[nH]c(=O)[n-]1 ZINC001571350533 1269929546 /nfs/dbraw/zinc/92/95/46/1269929546.db2.gz JJMYQSSRKYITPI-RMRHIDDWSA-N -1 3 367.450 0.182 10 0 FCAEHM C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)N(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC001571873289 1269968316 /nfs/dbraw/zinc/96/83/16/1269968316.db2.gz GAEOVMCTNCFIKF-RTXFEEFZSA-N -1 3 370.409 0.226 10 0 FCAEHM O=C(NC1(CCO)CN(C(=O)c2cnc[n-]c2=O)C1)[C@@H]1C[C@H]1C1CCC1 ZINC001571884694 1269970400 /nfs/dbraw/zinc/97/04/00/1269970400.db2.gz BZIIHVCGFSVEBG-QWHCGFSZSA-N -1 3 360.414 0.312 10 0 FCAEHM COCC(C)(C)CC(=O)N1C[C@@H]2CCN(C(=O)c3cnc[n-]c3=O)[C@@H]2C1 ZINC001572783456 1270138087 /nfs/dbraw/zinc/13/80/87/1270138087.db2.gz ZLMUHDQFAONIFP-GXTWGEPZSA-N -1 3 362.430 0.918 10 0 FCAEHM CC(C)=CC(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1c1cnn(C)c1 ZINC001344329400 1270154376 /nfs/dbraw/zinc/15/43/76/1270154376.db2.gz NJQFJTVCGHPFFQ-LSDHHAIUSA-N -1 3 370.413 0.606 10 0 FCAEHM CC(C)=CC(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)n1 ZINC001344649815 1270217844 /nfs/dbraw/zinc/21/78/44/1270217844.db2.gz KLGUFROQDLBEMG-MCIONIFRSA-N -1 3 360.414 0.948 10 0 FCAEHM CCC[C@@H](CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001572850049 1270258585 /nfs/dbraw/zinc/25/85/85/1270258585.db2.gz WDXWCWIYRZLCEV-JHJVBQTASA-N -1 3 350.419 0.618 10 0 FCAEHM C[C@@H](CC(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1O)c1ccccc1 ZINC001572856415 1270276499 /nfs/dbraw/zinc/27/64/99/1270276499.db2.gz CGRADCIQZCBVHT-APHBMKBZSA-N -1 3 370.409 0.678 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@@H]1CN(C(=O)c2cccnn2)C[C@H]1C ZINC001572907157 1270332673 /nfs/dbraw/zinc/33/26/73/1270332673.db2.gz OOXSSWMKRXEWSY-IAQYHMDHSA-N -1 3 370.413 0.490 10 0 FCAEHM Cc1ccc(CCCCC(=O)N2C[C@@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)cc1 ZINC001573011270 1270498748 /nfs/dbraw/zinc/49/87/48/1270498748.db2.gz GYZYPGNKMRLCFB-SJORKVTESA-N -1 3 371.441 0.828 10 0 FCAEHM O=C(COC[C@@H]1CCOC1)N[C@@H]1CCCC[C@H]1NC(=O)c1cn[n-]n1 ZINC001573090623 1270608245 /nfs/dbraw/zinc/60/82/45/1270608245.db2.gz DUCXZAPZWYGRRV-JHJVBQTASA-N -1 3 351.407 0.015 10 0 FCAEHM CCC[C@@H](C)C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@]23C[C@H]2COC3)n1 ZINC001573248969 1270708539 /nfs/dbraw/zinc/70/85/39/1270708539.db2.gz KPULNMUGHSEAEY-SOZUMNATSA-N -1 3 362.430 0.887 10 0 FCAEHM O=C(CC1CC1)NCc1nc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc(=O)[n-]1 ZINC001573247505 1270708684 /nfs/dbraw/zinc/70/86/84/1270708684.db2.gz FXKGNWVLCVBACI-MTVAPTMQSA-N -1 3 372.425 0.638 10 0 FCAEHM CO[C@@H](CC(C)C)C(=O)N1CC[C@H](NC(=O)c2cnc[n-]c2=O)[C@H]1C ZINC001573526199 1270813839 /nfs/dbraw/zinc/81/38/39/1270813839.db2.gz MDKRXXJEVORFRU-XBFCOCLRSA-N -1 3 350.419 0.963 10 0 FCAEHM CCO[C@H](C)C(=O)N1C[C@@H]2CN(C(=O)c3c(C)nc[n-]c3=O)C[C@]2(C)C1 ZINC001573754212 1270870244 /nfs/dbraw/zinc/87/02/44/1270870244.db2.gz IKUBDEUQMGUBIT-VFVRVIDISA-N -1 3 362.430 0.836 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)NCCNC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC001575209258 1271789183 /nfs/dbraw/zinc/78/91/83/1271789183.db2.gz CXVBYLCUHAWXHF-OCCSQVGLSA-N -1 3 350.419 0.389 10 0 FCAEHM O=C(NCCNC(=O)[C@@H]1CCO[C@H]1C1CC1)c1nnc2ccccc2c1[O-] ZINC001575562482 1272198922 /nfs/dbraw/zinc/19/89/22/1272198922.db2.gz OGHBXTKBUZFQCU-DYVFJYSZSA-N -1 3 370.409 0.997 10 0 FCAEHM Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@@H](CNC(=O)c1cnc[n-]c1=O)C1CC1 ZINC001578160317 1275458806 /nfs/dbraw/zinc/45/88/06/1275458806.db2.gz YBKSEVNVNBKTAU-BZPMIXESSA-N -1 3 370.413 0.344 10 0 FCAEHM CC[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)NCc1nc(=O)n(C)[n-]1 ZINC001714089428 1287313242 /nfs/dbraw/zinc/31/32/42/1287313242.db2.gz GOHJADAITCCGGZ-MELADBBJSA-N -1 3 351.451 0.156 10 0 FCAEHM Cn1[n-]c(CNC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2ccncc2)C2CC2)nc1=O ZINC001715111907 1287344973 /nfs/dbraw/zinc/34/49/73/1287344973.db2.gz PIQWAVJEKXYSAN-QMTMVMCOSA-N -1 3 370.457 0.682 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1c[nH]nc1-c1ccccn1 ZINC001603293500 1287348321 /nfs/dbraw/zinc/34/83/21/1287348321.db2.gz WXKJZKCXNWNSPI-NSHDSACASA-N -1 3 351.370 0.976 10 0 FCAEHM C[C@@H](C(=O)NCc1cc(=O)[n-]c(=S)[nH]1)S(=O)(=O)C1CCOCC1 ZINC001583369110 1282085063 /nfs/dbraw/zinc/08/50/63/1282085063.db2.gz MWJDPDFZUAIHTA-QMMMGPOBSA-N -1 3 361.445 0.069 10 0 FCAEHM CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001583368606 1282085449 /nfs/dbraw/zinc/08/54/49/1282085449.db2.gz DMYSMAFBYFWSKD-LLVKDONJSA-N -1 3 360.461 0.194 10 0 FCAEHM O=C([C@H](O)[C@H](O)c1nc2ccccc2[nH]1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001631827133 1282119466 /nfs/dbraw/zinc/11/94/66/1282119466.db2.gz VNBZUPBUIQVATJ-ULKVUYOBSA-N -1 3 357.370 0.402 10 0 FCAEHM CC(C)(C)C(=O)NCC(=O)OCCC(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001631832674 1282119929 /nfs/dbraw/zinc/11/99/29/1282119929.db2.gz PUWKXIFSLOUCGZ-NSHDSACASA-N -1 3 366.418 0.527 10 0 FCAEHM CC(C)CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001631833166 1282120117 /nfs/dbraw/zinc/12/01/17/1282120117.db2.gz UJXLHWMYRXWBGJ-IUODEOHRSA-N -1 3 374.445 0.928 10 0 FCAEHM Cn1cc(N2C[C@H](C(=O)NCc3cc(=O)[n-]c(=S)[nH]3)CCC2=O)cn1 ZINC001631842594 1282122713 /nfs/dbraw/zinc/12/27/13/1282122713.db2.gz OZGYUBVMEJZLTO-SECBINFHSA-N -1 3 362.415 0.264 10 0 FCAEHM COC(=O)[C@@H](C[C@H]1CCCO1)NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC001584196700 1282143678 /nfs/dbraw/zinc/14/36/78/1282143678.db2.gz JDCHUPXARKYXLR-TZMCWYRMSA-N -1 3 351.403 0.959 10 0 FCAEHM C[C@H](CN(C)C(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1)c1nnn[n-]1 ZINC001632364606 1282170539 /nfs/dbraw/zinc/17/05/39/1282170539.db2.gz JHMRPQDYKVSBNL-LLVKDONJSA-N -1 3 372.433 0.692 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccc(F)c1 ZINC001632758559 1282204580 /nfs/dbraw/zinc/20/45/80/1282204580.db2.gz OALAUBLUOQEHTC-IJEWVQPXSA-N -1 3 360.389 0.973 10 0 FCAEHM Cc1nn(C)cc1CNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001632761782 1282205215 /nfs/dbraw/zinc/20/52/15/1282205215.db2.gz UEPQKXVCXQZZKU-UHFFFAOYSA-N -1 3 357.345 0.846 10 0 FCAEHM Cc1nn(C)cc1CNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001632761782 1282205223 /nfs/dbraw/zinc/20/52/23/1282205223.db2.gz UEPQKXVCXQZZKU-UHFFFAOYSA-N -1 3 357.345 0.846 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)CN1C(=O)COc2ccc(Cl)cc21 ZINC001632758337 1282205351 /nfs/dbraw/zinc/20/53/51/1282205351.db2.gz IHSFNRCMFTZVBO-LLVKDONJSA-N -1 3 364.789 0.694 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C1(CNC(=O)OC(C)(C)C)CC(O)C1 ZINC001585163949 1282206938 /nfs/dbraw/zinc/20/69/38/1282206938.db2.gz VBXBYPXLWBPZQU-VMBJYNEYSA-N -1 3 368.434 0.280 10 0 FCAEHM CCS(=O)(=O)Nc1cccc(C(=O)NCCc2c(C)[n-][nH]c2=O)c1 ZINC001585158087 1282207075 /nfs/dbraw/zinc/20/70/75/1282207075.db2.gz OJGCHGBFWBMCPL-CYBMUJFWSA-N -1 3 352.416 0.690 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)CCC(=O)N1CCOc2ccccc21 ZINC001585158196 1282207204 /nfs/dbraw/zinc/20/72/04/1282207204.db2.gz QIHUCWBOICBAKY-CYBMUJFWSA-N -1 3 358.398 0.820 10 0 FCAEHM Cc1ccc(S(=O)(=O)CCC(=O)NCCCc2c[n-][nH]c2=O)cc1 ZINC001585934329 1282256535 /nfs/dbraw/zinc/25/65/35/1282256535.db2.gz VBKNRZDKOJUEJQ-CYBMUJFWSA-N -1 3 351.428 0.787 10 0 FCAEHM O=C(Cn1cnc2c3ccccc3oc2c1=O)NCCCc1c[n-][nH]c1=O ZINC001585933358 1282257519 /nfs/dbraw/zinc/25/75/19/1282257519.db2.gz GSNPJOWRKBQJTE-NSHDSACASA-N -1 3 367.365 0.771 10 0 FCAEHM CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)NCCCc2c[n-][nH]c2=O)C1 ZINC001585938562 1282258429 /nfs/dbraw/zinc/25/84/29/1282258429.db2.gz ZJPNUGFSQYNUPE-CMPLNLGQSA-N -1 3 356.398 0.820 10 0 FCAEHM CS(=O)(=O)C[C@H](C(=O)NCCCc1c[n-][nH]c1=O)c1ccccc1 ZINC001585938581 1282259198 /nfs/dbraw/zinc/25/91/98/1282259198.db2.gz ZYQHCVKEHOMWEH-KGLIPLIRSA-N -1 3 351.428 0.443 10 0 FCAEHM CCOC(=O)c1cccc2[n-]c(NC(=O)CN3CC(=O)N(C)C3=O)nc21 ZINC001586151776 1282278090 /nfs/dbraw/zinc/27/80/90/1282278090.db2.gz ABUNGYQDXWDWAC-UHFFFAOYSA-N -1 3 359.342 0.572 10 0 FCAEHM O=C([N-]n1ccc(=O)[nH]c1=O)c1c(Br)nc2n1CCCC2 ZINC001586190892 1282280327 /nfs/dbraw/zinc/28/03/27/1282280327.db2.gz ABNKZEITONFUJK-UHFFFAOYSA-N -1 3 354.164 0.628 10 0 FCAEHM CSCC[C@H](NC(=O)c1ccco1)C(=O)NCCCc1c[n-][nH]c1=O ZINC001634138734 1282303493 /nfs/dbraw/zinc/30/34/93/1282303493.db2.gz MALRVBZHJSSKRH-NEPJUHHUSA-N -1 3 366.443 0.759 10 0 FCAEHM CC(C)CNC(=O)N1CCC[C@@H](C(=O)NCCCc2c[n-][nH]c2=O)C1 ZINC001634143464 1282303749 /nfs/dbraw/zinc/30/37/49/1282303749.db2.gz JTTLKXNICOIKMK-ZIAGYGMSSA-N -1 3 351.451 0.692 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCC[C@H](NC(=O)COCc3cc[nH]c(=O)c3)C2)n1 ZINC001634675179 1282344217 /nfs/dbraw/zinc/34/42/17/1282344217.db2.gz UKAHOXDFZOQVAO-AWEZNQCLSA-N -1 3 373.413 0.893 10 0 FCAEHM O=C([N-]CC[C@@H]1CN(C(=O)C2(O)COC2)c2ccccc21)C(F)(F)F ZINC001587585315 1282366076 /nfs/dbraw/zinc/36/60/76/1282366076.db2.gz IMBPTPKJGGIPBB-SNVBAGLBSA-N -1 3 358.316 0.947 10 0 FCAEHM C[C@@H](NC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)C1(S(C)(=O)=O)CC1 ZINC001635135508 1282383461 /nfs/dbraw/zinc/38/34/61/1282383461.db2.gz PMPNDKWZITZDDU-MNOVXSKESA-N -1 3 369.447 0.026 10 0 FCAEHM COc1ccc(NC(=O)[C@@]2(C)C[C@H](O)CN2C)cc1[N-]S(C)(=O)=O ZINC001588163823 1282406830 /nfs/dbraw/zinc/40/68/30/1282406830.db2.gz YSUCCNLCJOEEBP-XHDPSFHLSA-N -1 3 357.432 0.460 10 0 FCAEHM C[C@@H](C(=O)Nc1ncc(S(=O)(=O)[N-]C(C)(C)C)s1)S(C)(=O)=O ZINC001588298902 1282415912 /nfs/dbraw/zinc/41/59/12/1282415912.db2.gz AVNJQCBQVQMEDX-ZETCQYMHSA-N -1 3 369.490 0.592 10 0 FCAEHM C[C@H](NC(=O)[C@@H]1COCCN1CC(F)F)c1nc(C(F)(F)F)n[n-]1 ZINC001636091307 1282459412 /nfs/dbraw/zinc/45/94/12/1282459412.db2.gz CAIMOZIJYHNYRX-BQBZGAKWSA-N -1 3 357.283 0.967 10 0 FCAEHM CCC[C@@H]1C[C@H]1C(=O)N(C)C[C@H](O)CN(C)C(=O)c1cnc[n-]c1=O ZINC001718784603 1287576414 /nfs/dbraw/zinc/57/64/14/1287576414.db2.gz QKTRZXQPOPEWOL-FRRDWIJNSA-N -1 3 350.419 0.510 10 0 FCAEHM CCOC(=O)c1[n-]nnc1[C@H]1CCCN1C(=O)[C@H]1CN(CC)CCO1 ZINC001637909427 1282640737 /nfs/dbraw/zinc/64/07/37/1282640737.db2.gz GMJLLSATTNRQHV-VXGBXAGGSA-N -1 3 351.407 0.366 10 0 FCAEHM CCOC(=O)c1nn[n-]c1[C@H]1CCCN1C(=O)[C@H]1CN(CC)CCO1 ZINC001637909427 1282640745 /nfs/dbraw/zinc/64/07/45/1282640745.db2.gz GMJLLSATTNRQHV-VXGBXAGGSA-N -1 3 351.407 0.366 10 0 FCAEHM CCOC(=O)c1n[n-]nc1[C@H]1CCCN1C(=O)[C@H]1CN(CC)CCO1 ZINC001637909427 1282640750 /nfs/dbraw/zinc/64/07/50/1282640750.db2.gz GMJLLSATTNRQHV-VXGBXAGGSA-N -1 3 351.407 0.366 10 0 FCAEHM COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC001638205026 1282673585 /nfs/dbraw/zinc/67/35/85/1282673585.db2.gz WLLLPQGDBIKVKU-GFCCVEGCSA-N -1 3 356.423 0.689 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)c3cc(C)c(C(N)=O)cn3)CC2)n1 ZINC001638493119 1282700422 /nfs/dbraw/zinc/70/04/22/1282700422.db2.gz MCGYHVLNOQNNED-UHFFFAOYSA-N -1 3 356.386 0.255 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)C3(S(C)(=O)=O)CCCC3)CC2)n1 ZINC001638489162 1282700997 /nfs/dbraw/zinc/70/09/97/1282700997.db2.gz SSZJNTRZRHICKO-UHFFFAOYSA-N -1 3 368.459 0.497 10 0 FCAEHM CC(C)CN1CCN(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)CC1=O ZINC001638865151 1282728181 /nfs/dbraw/zinc/72/81/81/1282728181.db2.gz IJUOAHOGYNMZKI-ZDUSSCGKSA-N -1 3 362.434 0.271 10 0 FCAEHM CC(C)(C)NS(=O)(=O)CC(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001638876341 1282731694 /nfs/dbraw/zinc/73/16/94/1282731694.db2.gz SLIPNPUEBSYGCO-UHFFFAOYSA-N -1 3 356.383 0.662 10 0 FCAEHM CC(C)(C)NS(=O)(=O)CC(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001638876341 1282731703 /nfs/dbraw/zinc/73/17/03/1282731703.db2.gz SLIPNPUEBSYGCO-UHFFFAOYSA-N -1 3 356.383 0.662 10 0 FCAEHM CC(C)(C)OC(=O)Cn1cc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)nn1 ZINC001639639425 1282799629 /nfs/dbraw/zinc/79/96/29/1282799629.db2.gz BVCWTJLBMCNUFS-SNVBAGLBSA-N -1 3 362.390 0.678 10 0 FCAEHM Cc1cc(=O)[n-]c(CNC(=O)C2(CNC(=O)OC(C)(C)C)CC(O)C2)n1 ZINC001639660067 1282803976 /nfs/dbraw/zinc/80/39/76/1282803976.db2.gz OOZKKGLBXJYIKU-UHFFFAOYSA-N -1 3 366.418 0.773 10 0 FCAEHM CC(C)(C)n1cc(C(=O)C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)cn1 ZINC001640104530 1282838164 /nfs/dbraw/zinc/83/81/64/1282838164.db2.gz GGKSLCJZMRHMOA-LBPRGKRZSA-N -1 3 358.402 0.712 10 0 FCAEHM CN1C(=O)COc2ccc(C(=O)N[C@H]3CCN(c4cc(=O)[n-]cn4)C3)cc21 ZINC001640109911 1282838910 /nfs/dbraw/zinc/83/89/10/1282838910.db2.gz JTPZXSDKCZJUAN-LBPRGKRZSA-N -1 3 369.381 0.546 10 0 FCAEHM COC(=O)c1ccc(CC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)cn1 ZINC001640110776 1282841830 /nfs/dbraw/zinc/84/18/30/1282841830.db2.gz WGNATWMGQZPVNF-GFCCVEGCSA-N -1 3 357.370 0.301 10 0 FCAEHM CNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)cc1 ZINC001640595287 1282880461 /nfs/dbraw/zinc/88/04/61/1282880461.db2.gz RSSMMDNWQGZJAQ-GFCCVEGCSA-N -1 3 364.427 0.582 10 0 FCAEHM CCn1c2ccc(C(=O)N3CC[C@@H](c4cc(=O)[nH][n-]4)C3)cc2[nH]c(=O)c1=O ZINC001640595921 1282880654 /nfs/dbraw/zinc/88/06/54/1282880654.db2.gz ZDGDOKVLHRZIIU-LLVKDONJSA-N -1 3 369.381 0.768 10 0 FCAEHM COC(=O)[C@](C)(CO)[N-]C(=O)C(F)(F)n1cc(-c2ccccc2)nn1 ZINC001642437996 1283009544 /nfs/dbraw/zinc/00/95/44/1283009544.db2.gz UYRVVKSPJOJHSQ-AWEZNQCLSA-N -1 3 354.313 0.535 10 0 FCAEHM CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCCCc2c[n-][nH]c2=O)c1 ZINC001642445851 1283010824 /nfs/dbraw/zinc/01/08/24/1283010824.db2.gz PAMOQIXLWYVPBT-SECBINFHSA-N -1 3 372.834 0.490 10 0 FCAEHM CC(C)C(=O)Nc1nc(CC(=O)NCCCc2c[n-][nH]c2=O)cs1 ZINC001642444980 1283011434 /nfs/dbraw/zinc/01/14/34/1283011434.db2.gz DOTWVNHJGHUFCL-SNVBAGLBSA-N -1 3 351.432 0.908 10 0 FCAEHM CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NCCCc1c[n-][nH]c1=O ZINC001642444983 1283011622 /nfs/dbraw/zinc/01/16/22/1283011622.db2.gz DUWPOBAZKCGYFW-OLZOCXBDSA-N -1 3 358.464 0.209 10 0 FCAEHM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cccnc1)NC(=O)c1cnc[n-]c1=O ZINC001680177897 1283399405 /nfs/dbraw/zinc/39/94/05/1283399405.db2.gz UBHYRLRATWNGSF-KWCYVHTRSA-N -1 3 355.398 0.958 10 0 FCAEHM CN(C)S(=O)(=O)C1(CNC(=O)NCc2nc(C(F)(F)F)n[n-]2)CC1 ZINC001680398270 1283429063 /nfs/dbraw/zinc/42/90/63/1283429063.db2.gz HTAGDRWNBBCEGL-UHFFFAOYSA-N -1 3 370.357 0.047 10 0 FCAEHM CCC(C)(CC)C(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1O ZINC001682467928 1283604278 /nfs/dbraw/zinc/60/42/78/1283604278.db2.gz BZPXOADIQURROE-VXGBXAGGSA-N -1 3 350.419 0.618 10 0 FCAEHM C[C@H](CC(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1O)c1ccco1 ZINC001682561492 1283676963 /nfs/dbraw/zinc/67/69/63/1283676963.db2.gz AELCORVZJNKCFQ-RAIGVLPGSA-N -1 3 360.370 0.271 10 0 FCAEHM CO[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1NC(=O)C1(CF)CCC1 ZINC001683334572 1283946085 /nfs/dbraw/zinc/94/60/85/1283946085.db2.gz LIAPEYOZPMRUAU-VXGBXAGGSA-N -1 3 352.366 0.278 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](NC(=O)CCc2ccoc2)[C@@H](O)C1 ZINC001683423040 1283977302 /nfs/dbraw/zinc/97/73/02/1283977302.db2.gz DCRKACTZCFMOKQ-OLZOCXBDSA-N -1 3 360.370 0.018 10 0 FCAEHM CC[C@@H](C)CC(=O)N[C@@H]1CN(C(=O)CCc2c(C)nc[n-]c2=O)C[C@@H]1O ZINC001683439162 1283984777 /nfs/dbraw/zinc/98/47/77/1283984777.db2.gz KQZFUKLCARNOTG-DFBGVHRSSA-N -1 3 364.446 0.547 10 0 FCAEHM CCC(CC)[C@@H](C)C(=O)N1C[C@@H](NC(=O)c2c(C)nc[n-]c2=O)[C@@H](O)C1 ZINC001683632111 1284068848 /nfs/dbraw/zinc/06/88/48/1284068848.db2.gz UUBWYDCDCMUSJP-HONMWMINSA-N -1 3 364.446 0.864 10 0 FCAEHM O=C(C[C@H]1CCNC1=O)NC[C@H]1CC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001684430207 1284173525 /nfs/dbraw/zinc/17/35/25/1284173525.db2.gz VHZICGPTVMJVSS-BFHYXJOUSA-N -1 3 359.426 0.933 10 0 FCAEHM C[C@@H](NC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)C(=O)NC(C)(C)C ZINC001684556948 1284201272 /nfs/dbraw/zinc/20/12/72/1284201272.db2.gz XDEZCENKUZBSEP-GHMZBOCLSA-N -1 3 350.423 0.363 10 0 FCAEHM CC(C)n1cnnc1CN(C)C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001684560246 1284201674 /nfs/dbraw/zinc/20/16/74/1284201674.db2.gz FDWJLOIIERXKFS-GFCCVEGCSA-N -1 3 360.422 0.775 10 0 FCAEHM CCC1(C(=O)N[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@H]2O)CCCCC1 ZINC001719102122 1287732805 /nfs/dbraw/zinc/73/28/05/1287732805.db2.gz PSWGEVKTYJTHDC-ZIAGYGMSSA-N -1 3 362.430 0.844 10 0 FCAEHM CNC(=O)C1(C(=O)N2CC[C@@H]3CN(C(=O)c4ccccc4[O-])[C@@H]3C2)CC1 ZINC001702398065 1285635584 /nfs/dbraw/zinc/63/55/84/1285635584.db2.gz AVJYOUNLFLNKCH-TZMCWYRMSA-N -1 3 357.410 0.591 10 0 FCAEHM COC[C@H](C)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001702522416 1285696648 /nfs/dbraw/zinc/69/66/48/1285696648.db2.gz WTFBZQUUPCXLRV-WCFLWFBJSA-N -1 3 350.419 0.788 10 0 FCAEHM CCOCCO[C@@H](C)C(=O)N1CC[C@H](NC(=O)c2cnc[n-]c2=O)[C@H]1C ZINC001702706461 1285802944 /nfs/dbraw/zinc/80/29/44/1285802944.db2.gz HVEZSZHQJBLVBR-DYEKYZERSA-N -1 3 366.418 0.343 10 0 FCAEHM CO[C@@H](C)C(=O)N1CC[C@H](NC(=O)CCc2c(C)nc[n-]c2=O)[C@H]1C ZINC001702710414 1285809195 /nfs/dbraw/zinc/80/91/95/1285809195.db2.gz YVMLHUKAPLDXCJ-DYEKYZERSA-N -1 3 350.419 0.564 10 0 FCAEHM CC[C@@H](C)OCC(=O)NC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001702790312 1285868252 /nfs/dbraw/zinc/86/82/52/1285868252.db2.gz DXJAVRFUXSOMFX-JHJVBQTASA-N -1 3 350.419 0.822 10 0 FCAEHM C[C@H](CC(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1)C(F)(F)F ZINC001735934054 1289050123 /nfs/dbraw/zinc/05/01/23/1289050123.db2.gz OXQNYSGJQYDWTP-QNSHHTMESA-N -1 3 362.308 0.072 10 0 FCAEHM CN(CCCNC(=O)[C@]12C[C@H]1COC2)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001703595365 1286122224 /nfs/dbraw/zinc/12/22/24/1286122224.db2.gz MABFBPVMOFMZRM-BUXKBTBVSA-N -1 3 371.393 0.185 10 0 FCAEHM CC(C)(CNS(N)(=O)=O)[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC001593935201 1286220445 /nfs/dbraw/zinc/22/04/45/1286220445.db2.gz HUWZVMCOAIRVJT-UHFFFAOYSA-N -1 3 357.329 0.745 10 0 FCAEHM CC(C)C[C@@H](CNC(=O)c1cnc[n-]c1=O)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001704800842 1286302668 /nfs/dbraw/zinc/30/26/68/1286302668.db2.gz SEVIFLJYFHKMHN-GHJPUPADSA-N -1 3 374.441 0.866 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCC1(n2cccn2)CC1 ZINC001598026323 1286376151 /nfs/dbraw/zinc/37/61/51/1286376151.db2.gz HQUUTYHQBTVLPG-UHFFFAOYSA-N -1 3 368.191 0.213 10 0 FCAEHM CC[C@H](F)CN1CC[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)[C@H]1CC ZINC001707205293 1286513095 /nfs/dbraw/zinc/51/30/95/1286513095.db2.gz QGQHEWFVBVDEHT-MELADBBJSA-N -1 3 354.426 0.644 10 0 FCAEHM CCO[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c(C)nc[n-]c2=O)C1)C1CC1 ZINC001719196901 1287857331 /nfs/dbraw/zinc/85/73/31/1287857331.db2.gz ODZGLWXTTRIOFJ-WDBKCZKBSA-N -1 3 362.430 0.882 10 0 FCAEHM CCC[C@@H](CC)C(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@H](OC)C1 ZINC001719232769 1287912021 /nfs/dbraw/zinc/91/20/21/1287912021.db2.gz BRJIMGJXCCFGDB-MRVWCRGKSA-N -1 3 350.419 0.964 10 0 FCAEHM CCO[C@@H](C(=O)N1C[C@@H](NC(=O)c2ccccc2[O-])[C@@H](O)C1)C(C)C ZINC001719253454 1287954213 /nfs/dbraw/zinc/95/42/13/1287954213.db2.gz RTCDCMGBISNHKH-VNQPRFMTSA-N -1 3 350.415 0.755 10 0 FCAEHM O=C(COC[C@H]1CCCO1)N[C@@H]1CCCC[C@H]1NC(=O)c1cn[n-]n1 ZINC001719365874 1288112415 /nfs/dbraw/zinc/11/24/15/1288112415.db2.gz MVTOLHVVVKPPHS-JHJVBQTASA-N -1 3 351.407 0.158 10 0 FCAEHM CCC(=O)N[C@H](C)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2cnc[n-]c2=O)C1 ZINC001719455935 1288125043 /nfs/dbraw/zinc/12/50/43/1288125043.db2.gz PQPTYLJZLMCARG-GRYCIOLGSA-N -1 3 363.418 0.112 10 0 FCAEHM CN(CCCNC(=O)[C@@H]1C[C@H]1C1CCOCC1)C(=O)c1cnc[n-]c1=O ZINC001720526081 1288237923 /nfs/dbraw/zinc/23/79/23/1288237923.db2.gz PQVRGOPPYVJKGE-UONOGXRCSA-N -1 3 362.430 0.823 10 0 FCAEHM CC(C)[C@@H](CNC(=O)c1cnc[n-]c1=O)NC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001721674532 1288366336 /nfs/dbraw/zinc/36/63/36/1288366336.db2.gz VJFHBSZRGXTNDF-YUELXQCFSA-N -1 3 362.430 0.868 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NCCCC[C@@H](C)NC(=O)[C@]12C[C@H]1COC2 ZINC001735662325 1288764816 /nfs/dbraw/zinc/76/48/16/1288764816.db2.gz OCXCJHIVYKWNKG-YNKQFZHNSA-N -1 3 362.430 0.932 10 0 FCAEHM CCCC[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1O ZINC001735743481 1288833930 /nfs/dbraw/zinc/83/39/30/1288833930.db2.gz OXLRGDAVWDTFRO-CYZMBNFOSA-N -1 3 350.419 0.618 10 0 FCAEHM CC[C@H](CC(F)F)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1O ZINC001735753871 1288853934 /nfs/dbraw/zinc/85/39/34/1288853934.db2.gz XLJMELWKBDVWFM-FBIMIBRVSA-N -1 3 358.345 0.165 10 0 FCAEHM C[C@H](CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1)C(F)(F)F ZINC001735757699 1288864804 /nfs/dbraw/zinc/86/48/04/1288864804.db2.gz OXQNYSGJQYDWTP-SZEHBUNVSA-N -1 3 362.308 0.072 10 0 FCAEHM CC(=O)N[C@H](C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC001735822769 1288929794 /nfs/dbraw/zinc/92/97/94/1288929794.db2.gz RGJCBDBDVGKWDQ-GPCCPHFNSA-N -1 3 358.402 0.059 10 0 FCAEHM CC(C)(F)C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@]23C[C@H]2COC3)n1 ZINC001736173122 1289188193 /nfs/dbraw/zinc/18/81/93/1289188193.db2.gz XEWAANCKYJQBNM-FVMDXXJSSA-N -1 3 352.366 0.199 10 0 FCAEHM CCC[C@H](OC)C(=O)N1CC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@@H]2C1 ZINC001736227643 1289209770 /nfs/dbraw/zinc/20/97/70/1289209770.db2.gz XYSVSRLOILYFTF-IPYPFGDCSA-N -1 3 362.430 0.918 10 0 FCAEHM Cc1cc(CC(=O)NC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@H]2C)no1 ZINC001736353073 1289274271 /nfs/dbraw/zinc/27/42/71/1289274271.db2.gz BVEJESBEFNFXPU-ZYHUDNBSSA-N -1 3 359.386 0.546 10 0 FCAEHM Cc1cc(COCC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cn[n-]n2)C3)on1 ZINC001736493602 1289392233 /nfs/dbraw/zinc/39/22/33/1289392233.db2.gz AFUMIXQEIVTLQA-OSMZGAPFSA-N -1 3 360.374 0.180 10 0 FCAEHM Cc1nc(C)c(CC(=O)NCCNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)c(=O)[n-]1 ZINC001736758831 1289490579 /nfs/dbraw/zinc/49/05/79/1289490579.db2.gz VFBBHKYCTQRZFZ-HEHGZKQESA-N -1 3 362.430 0.389 10 0 FCAEHM Cn1cc([C@@H]2C[C@H]2C(=O)N[C@H](CNC(=O)c2cnc[n-]c2=O)C2CC2)cn1 ZINC001737391764 1289541291 /nfs/dbraw/zinc/54/12/91/1289541291.db2.gz FKNLLECIJADAQN-GZBFAFLISA-N -1 3 370.413 0.344 10 0 FCAEHM O=C(Nc1n[n-]c(SCCO)n1)C1(n2cc(Br)cn2)CC1 ZINC001611011620 1289624308 /nfs/dbraw/zinc/62/43/08/1289624308.db2.gz XZLCXJGVORAMSW-UHFFFAOYSA-N -1 3 373.236 0.976 10 0 FCAEHM CCOC(=O)c1nc(CNC(=O)[C@@H](NCC(F)(F)F)C(C)C)n[n-]1 ZINC001611154047 1289631694 /nfs/dbraw/zinc/63/16/94/1289631694.db2.gz BZHXLGURMAXWEX-VIFPVBQESA-N -1 3 351.329 0.774 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)[C@@H](NCC(F)(F)F)C(C)C)[n-]1 ZINC001611154047 1289631704 /nfs/dbraw/zinc/63/17/04/1289631704.db2.gz BZHXLGURMAXWEX-VIFPVBQESA-N -1 3 351.329 0.774 10 0 FCAEHM C[C@@H](CNC(=O)c1cnc[n-]c1=O)N(C)C(=O)[C@@H]1C[C@H]1c1ccnn1C ZINC001701200755 1289637490 /nfs/dbraw/zinc/63/74/90/1289637490.db2.gz MBBBKEXVMOKTMH-QJPTWQEYSA-N -1 3 358.402 0.296 10 0 FCAEHM COC(=O)C[C@@H]1CC[C@H](NC(=O)C[N-]S(=O)(=O)c2c(C)noc2C)C1 ZINC001611688470 1289666993 /nfs/dbraw/zinc/66/69/93/1289666993.db2.gz ZBJGVMPRAYNOGK-NEPJUHHUSA-N -1 3 373.431 0.418 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NC1([C@@H]2CCCO2)CCC1 ZINC001611699737 1289668404 /nfs/dbraw/zinc/66/84/04/1289668404.db2.gz DOIJSIVGXQKJNI-LBPRGKRZSA-N -1 3 357.432 0.788 10 0 FCAEHM Cc1nc(C)c(CC(=O)N(C)C[C@@H](C)NC(=O)[C@]23C[C@H]2COC3)c(=O)[n-]1 ZINC001701619930 1289671631 /nfs/dbraw/zinc/67/16/31/1289671631.db2.gz CIXHKBCPUTVMNS-LNSDYSHSSA-N -1 3 362.430 0.341 10 0 FCAEHM O=C(N[C@@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)c1cn[n-]n1 ZINC001701715465 1289695972 /nfs/dbraw/zinc/69/59/72/1289695972.db2.gz PDQAKXDVZIXDMP-OPRDCNLKSA-N -1 3 365.340 0.094 10 0 FCAEHM O=C(NCC1(NC(=O)[C@@H]2C[C@H]2c2cccnc2)CC1)c1cnc[n-]c1=O ZINC001738771461 1289726305 /nfs/dbraw/zinc/72/63/05/1289726305.db2.gz AYMRJWRNOMTGRW-QWHCGFSZSA-N -1 3 353.382 0.760 10 0 FCAEHM O=C(NC[C@H](CO)NC(=O)[C@@H]1C[C@H]1C1CCOCC1)c1ccccc1[O-] ZINC001738865964 1289743170 /nfs/dbraw/zinc/74/31/70/1289743170.db2.gz RYCXBZKVTPBKHB-VNQPRFMTSA-N -1 3 362.426 0.662 10 0 FCAEHM COCCCCC(=O)N1C[C@@H]2CCN(C(=O)c3c(C)nc[n-]c3=O)[C@@H]2C1 ZINC001702146924 1289752608 /nfs/dbraw/zinc/75/26/08/1289752608.db2.gz UMNLQVYPPPRBCR-UONOGXRCSA-N -1 3 362.430 0.980 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H]1CCO[C@@H]1CNC(=O)OC(C)(C)C ZINC001615963180 1289765871 /nfs/dbraw/zinc/76/58/71/1289765871.db2.gz OYUHPIFMYBPFLJ-FRRDWIJNSA-N -1 3 368.434 0.544 10 0 FCAEHM C[C@@H]1OCC[C@]1(O)CNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001618089140 1289884339 /nfs/dbraw/zinc/88/43/39/1289884339.db2.gz HZWORYFJIIOBFV-BTDLBPIBSA-N -1 3 363.345 0.144 10 0 FCAEHM C[C@@H]1OCC[C@]1(O)CNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001618089140 1289884349 /nfs/dbraw/zinc/88/43/49/1289884349.db2.gz HZWORYFJIIOBFV-BTDLBPIBSA-N -1 3 363.345 0.144 10 0 FCAEHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)[C@]3(C)CCNC3=O)c2)[n-]1 ZINC001618521184 1289915435 /nfs/dbraw/zinc/91/54/35/1289915435.db2.gz JJSHFOXXLAJOOI-GOSISDBHSA-N -1 3 371.397 0.791 10 0 FCAEHM CCOC(=O)c1nc(-c2cccc(CNC(=O)[C@]3(C)CCNC3=O)c2)n[n-]1 ZINC001618521184 1289915445 /nfs/dbraw/zinc/91/54/45/1289915445.db2.gz JJSHFOXXLAJOOI-GOSISDBHSA-N -1 3 371.397 0.791 10 0 FCAEHM CO[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1NC(=O)C=Cc1ccc[nH]1 ZINC001739573176 1290176843 /nfs/dbraw/zinc/17/68/43/1290176843.db2.gz VHYJEHSYSHCTDJ-UUSXEQNQSA-N -1 3 357.370 0.179 10 0 FCAEHM CN1CC(=O)Nc2cc(C(=O)NCCNC(=O)c3ccc([O-])cc3)cnc21 ZINC001622743729 1290182610 /nfs/dbraw/zinc/18/26/10/1290182610.db2.gz GBWXHNGHXVTIJB-UHFFFAOYSA-N -1 3 369.381 0.335 10 0 FCAEHM CCC[C@H](OC)C(=O)N1C[C@@H](NC(=O)c2c(C)nc[n-]c2=O)[C@H](OC)C1 ZINC001739587173 1290203453 /nfs/dbraw/zinc/20/34/53/1290203453.db2.gz AMMSTIOZGBZLEJ-FRRDWIJNSA-N -1 3 366.418 0.261 10 0 FCAEHM C[C@@H](NC(=O)CC1CS(=O)(=O)C1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001623645315 1290228037 /nfs/dbraw/zinc/22/80/37/1290228037.db2.gz YQESFXNIWMTITM-VHSXEESVSA-N -1 3 355.416 0.301 10 0 FCAEHM CC/C(C)=C\C(=O)N1C[C@@H](NC(=O)c2cc(=O)[n-]c(C3CC3)n2)[C@@H](O)C1 ZINC001739640137 1290281133 /nfs/dbraw/zinc/28/11/33/1290281133.db2.gz IHYMFKZWHZCEQL-OAAFTFSASA-N -1 3 360.414 0.717 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)CCn2ccccc2=O)CCN1C(=O)c1cnc[n-]c1=O ZINC001740076811 1290481141 /nfs/dbraw/zinc/48/11/41/1290481141.db2.gz AXESIFMNTUHXOJ-OCCSQVGLSA-N -1 3 371.397 0.153 10 0 FCAEHM O=C([C@H]1Nc2ccccc2S(=O)(=O)N1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001628247591 1290519128 /nfs/dbraw/zinc/51/91/28/1290519128.db2.gz ZMDGIJMHISAXJZ-XPTSAGLGSA-N -1 3 363.399 0.161 10 0 FCAEHM COc1cc(OC)cc(C(=O)NCC(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)c1 ZINC001628246497 1290519188 /nfs/dbraw/zinc/51/91/88/1290519188.db2.gz QAPQZWAZWRIRJO-LLVKDONJSA-N -1 3 374.397 0.878 10 0 FCAEHM CN(C)S(=O)(=O)c1cc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)co1 ZINC001628245490 1290519452 /nfs/dbraw/zinc/51/94/52/1290519452.db2.gz LOGRCZHIBNOGPZ-VIFPVBQESA-N -1 3 354.388 0.588 10 0 FCAEHM C[C@H](C(=O)NCc1cc(=O)[n-]c(=S)[nH]1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001628254579 1290520244 /nfs/dbraw/zinc/52/02/44/1290520244.db2.gz ADEFDKUZQWPWGG-IEBDPFPHSA-N -1 3 364.427 0.651 10 0 FCAEHM C[C@@]1(c2ccc(C(=O)NCc3cc(=O)[n-]c(=S)[nH]3)cc2)NC(=O)NC1=O ZINC001628258870 1290520722 /nfs/dbraw/zinc/52/07/22/1290520722.db2.gz GZILGPOJFWUVFK-INIZCTEOSA-N -1 3 373.394 0.456 10 0 FCAEHM CCC[C@@H]1C[C@H]1C(=O)N1CCO[C@](C)(CNC(=O)c2cnc[n-]c2=O)C1 ZINC001740257081 1290522137 /nfs/dbraw/zinc/52/21/37/1290522137.db2.gz SAJXBYYIUYLBPL-SNUQEOBHSA-N -1 3 362.430 0.966 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CC[C@H]2[C@@H](C1)C2(F)F ZINC001629032391 1290571204 /nfs/dbraw/zinc/57/12/04/1290571204.db2.gz XDKYQXLNOAAYAG-NKWVEPMBSA-N -1 3 364.146 0.825 10 0 FCAEHM CO[C@H](C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)C(=O)OC(C)(C)C ZINC001629057186 1290574041 /nfs/dbraw/zinc/57/40/41/1290574041.db2.gz JWDZFJCVUZBEGP-CYBMUJFWSA-N -1 3 365.386 0.878 10 0 FCAEHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)c1ccnc(N2CCOCC2)n1 ZINC001629344410 1290593864 /nfs/dbraw/zinc/59/38/64/1290593864.db2.gz XOBPIUQZWYPCQY-UHFFFAOYSA-N -1 3 366.385 0.669 10 0 FCAEHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)c1ccnc(N2CCOCC2)n1 ZINC001629344410 1290593873 /nfs/dbraw/zinc/59/38/73/1290593873.db2.gz XOBPIUQZWYPCQY-UHFFFAOYSA-N -1 3 366.385 0.669 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)c1 ZINC001629543123 1290607407 /nfs/dbraw/zinc/60/74/07/1290607407.db2.gz KMAROOXHZPKHGY-ZDUSSCGKSA-N -1 3 372.381 0.625 10 0 FCAEHM Cc1cc(C(=O)N2C[C@H](C)N(CCO)C[C@H]2C)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC001630284773 1290657422 /nfs/dbraw/zinc/65/74/22/1290657422.db2.gz VGVSJLOIPACZFM-WDEREUQCSA-N -1 3 361.402 0.272 10 0 FCAEHM CC(C)NS(=O)(=O)c1cccc(C(=O)NCCCc2c[n-][nH]c2=O)c1 ZINC001630631507 1290682580 /nfs/dbraw/zinc/68/25/80/1290682580.db2.gz KMDRBNIYPUGXTC-ZDUSSCGKSA-N -1 3 366.443 0.615 10 0 FCAEHM O=C(COc1cccc(N2CCCC2=O)c1)NCCCc1c[n-][nH]c1=O ZINC001630632103 1290682860 /nfs/dbraw/zinc/68/28/60/1290682860.db2.gz PXXAKHRXDXWLJR-CYBMUJFWSA-N -1 3 358.398 0.820 10 0 FCAEHM C[C@H](C(=O)NCCCc1c[n-][nH]c1=O)[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001630632477 1290683770 /nfs/dbraw/zinc/68/37/70/1290683770.db2.gz UMDZYKLLDKZLIN-RWMBFGLXSA-N -1 3 370.450 0.479 10 0 FCAEHM COCCN(CC(=O)NCCCc1c[n-][nH]c1=O)C(=O)OC(C)(C)C ZINC001630632932 1290685302 /nfs/dbraw/zinc/68/53/02/1290685302.db2.gz ZWCKBUAFPORNSX-LBPRGKRZSA-N -1 3 356.423 0.498 10 0 FCAEHM O=C(Cc1cn2cc(F)ccc2n1)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001643244858 1290867700 /nfs/dbraw/zinc/86/77/00/1290867700.db2.gz WPZVJIBTMDTZJT-UHFFFAOYSA-N -1 3 357.345 0.901 10 0 FCAEHM CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001644273298 1290951278 /nfs/dbraw/zinc/95/12/78/1290951278.db2.gz VNDQZWSAMFRZJJ-VIFPVBQESA-N -1 3 358.420 0.627 10 0 FCAEHM NC(=O)c1ccc(N2CCN(Cc3nc4c(c(=O)[n-]3)COCC4)CC2)nc1 ZINC001644826208 1290986695 /nfs/dbraw/zinc/98/66/95/1290986695.db2.gz ZNCYDNSQAYGXNE-UHFFFAOYSA-N -1 3 370.413 0.071 10 0 FCAEHM CCOC(=O)[C@@H](CC(=O)N1CCN(c2nc(C)cc(=O)[n-]2)CC1)C(C)=O ZINC001645591355 1291036907 /nfs/dbraw/zinc/03/69/07/1291036907.db2.gz HYVOUMNCMFLXQG-ZDUSSCGKSA-N -1 3 364.402 0.298 10 0 FCAEHM CCOC(=O)c1cc(C(=O)N2CCN(c3nc(C)cc(=O)[n-]3)CC2)on1 ZINC001645591789 1291037254 /nfs/dbraw/zinc/03/72/54/1291037254.db2.gz LOMBSHNXWIDMIF-UHFFFAOYSA-N -1 3 361.358 0.618 10 0 FCAEHM O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NCCCc1c[n-][nH]c1=O ZINC001647858461 1291078891 /nfs/dbraw/zinc/07/88/91/1291078891.db2.gz HMMONUOHCMVMBN-JTQLQIEISA-N -1 3 372.834 0.247 10 0 FCAEHM C[C@H](NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1nc(C(F)(F)F)n[n-]1 ZINC001647878264 1291080969 /nfs/dbraw/zinc/08/09/69/1291080969.db2.gz OQBHAEIIWQDOPB-YFKPBYRVSA-N -1 3 368.275 0.844 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NCC1(CF)CCOCC1 ZINC001651026871 1291191282 /nfs/dbraw/zinc/19/12/82/1291191282.db2.gz VWTCWZAIDPZSLD-UHFFFAOYSA-N -1 3 363.411 0.452 10 0 FCAEHM Cc1cccc(=O)n1C[C@](C)(O)C(=O)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001651735060 1291236020 /nfs/dbraw/zinc/23/60/20/1291236020.db2.gz HVIHOXNTPFJCBG-SFHVURJKSA-N -1 3 358.398 0.597 10 0 FCAEHM CCOC(=O)NCCCC(=O)N[C@@H]1CCN(c2nc(C)cc(=O)[n-]2)C1 ZINC001651887395 1291248887 /nfs/dbraw/zinc/24/88/87/1291248887.db2.gz WRLXZRRHZOIJAW-GFCCVEGCSA-N -1 3 351.407 0.712 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(c3nccc(S(C)(=O)=O)n3)CC2)n1 ZINC001652239446 1291269146 /nfs/dbraw/zinc/26/91/46/1291269146.db2.gz IDSUZOYXKLSICE-UHFFFAOYSA-N -1 3 350.404 0.011 10 0 FCAEHM COc1cnc(C2(NC(=O)CN(C)[C@@H]3CCC[C@H]3O)CCCC2)[n-]c1=O ZINC001652805913 1291299652 /nfs/dbraw/zinc/29/96/52/1291299652.db2.gz XXMSCQLAWQRCIJ-CHWSQXEVSA-N -1 3 364.446 0.922 10 0 FCAEHM C[C@H](NC(=O)[C@@](C)(O)Cn1ccccc1=O)c1nc(C(F)(F)F)n[n-]1 ZINC001652798774 1291300082 /nfs/dbraw/zinc/30/00/82/1291300082.db2.gz LBIPBBKOLVRCMP-SDBXPKJASA-N -1 3 359.308 0.614 10 0 FCAEHM COC(=O)c1cc(NC(=O)CCCN2C(=O)CNC2=O)c([O-])c(OC)c1 ZINC001653217275 1291327642 /nfs/dbraw/zinc/32/76/42/1291327642.db2.gz BKNPDJKUDMQZBM-UHFFFAOYSA-N -1 3 365.342 0.458 10 0 FCAEHM COC(=O)c1cc(NC(=O)CCN2CCCS2(=O)=O)c([O-])c(OC)c1 ZINC001653217721 1291328662 /nfs/dbraw/zinc/32/86/62/1291328662.db2.gz LUVGQPPRSXFXGX-UHFFFAOYSA-N -1 3 372.399 0.552 10 0 FCAEHM COc1ccc(NC(=O)C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1 ZINC001653312928 1291335370 /nfs/dbraw/zinc/33/53/70/1291335370.db2.gz PRADZNXQFVTNDS-LBPRGKRZSA-N -1 3 357.370 0.524 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)[C@@H]1CCCN1c1ncccn1 ZINC001653313921 1291335921 /nfs/dbraw/zinc/33/59/21/1291335921.db2.gz XRECGLHSENSAHZ-STQMWFEESA-N -1 3 355.402 0.336 10 0 FCAEHM COC(=O)C[C@@H]1CS(=O)(=O)CCN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001654472419 1291413109 /nfs/dbraw/zinc/41/31/09/1291413109.db2.gz UIKZWKIZHQEZAY-GFCCVEGCSA-N -1 3 355.416 0.222 10 0 FCAEHM COCCOC1(CNC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)CCOCC1 ZINC001654584561 1291419713 /nfs/dbraw/zinc/41/97/13/1291419713.db2.gz SPLXICNYJABFJH-UHFFFAOYSA-N -1 3 362.382 0.512 10 0 FCAEHM COC(=O)c1cccc(NC(=O)CN2CCC(Cc3nnn[n-]3)CC2)c1 ZINC001654682809 1291426815 /nfs/dbraw/zinc/42/68/15/1291426815.db2.gz JOZOPCHRTUSAEC-UHFFFAOYSA-N -1 3 358.402 0.880 10 0 FCAEHM COC(=O)c1cccc(NC(=O)CN2CCC(Cc3nn[n-]n3)CC2)c1 ZINC001654682809 1291426822 /nfs/dbraw/zinc/42/68/22/1291426822.db2.gz JOZOPCHRTUSAEC-UHFFFAOYSA-N -1 3 358.402 0.880 10 0 FCAEHM COc1ccccc1[C@@H]1C[C@H]1C(=O)NC[C@@H](C)NCc1nc(=O)n(C)[n-]1 ZINC001662355911 1291720390 /nfs/dbraw/zinc/72/03/90/1291720390.db2.gz AUPPOLVQNBNUIM-KWCYVHTRSA-N -1 3 359.430 0.515 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)NCCC[C@@H]1CCCN1Cc1nc(=O)n(C)[n-]1 ZINC001663092829 1291746040 /nfs/dbraw/zinc/74/60/40/1291746040.db2.gz FWCIQGGCURLNGW-KFWWJZLASA-N -1 3 365.478 0.784 10 0 FCAEHM CN(C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)[C@H]1CCCCN(C)C1=O ZINC001676589146 1292211026 /nfs/dbraw/zinc/21/10/26/1292211026.db2.gz VNKFDFLSZOLGKP-OLZOCXBDSA-N -1 3 362.434 0.413 10 0 FCAEHM CC(C)C(=O)N1CCN(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)CC1 ZINC001676589494 1292211441 /nfs/dbraw/zinc/21/14/41/1292211441.db2.gz XVDDSAVMTUWCBC-ZDUSSCGKSA-N -1 3 362.434 0.271 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)CS(=O)(=O)CC)CCN1C(=O)c1ccccc1[O-] ZINC001684939347 1292372488 /nfs/dbraw/zinc/37/24/88/1292372488.db2.gz ITQNXCGYJXOEPM-UONOGXRCSA-N -1 3 368.455 0.936 10 0 FCAEHM CCC(CC)C(=O)NCC(=O)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@H]1CC ZINC001684954111 1292381021 /nfs/dbraw/zinc/38/10/21/1292381021.db2.gz XBQMZDNCXATFSG-GXTWGEPZSA-N -1 3 364.450 0.466 10 0 FCAEHM CO[C@@H](C)CC(=O)N[C@H]1CCN(C(=O)Cc2c(C)nc(C)[n-]c2=O)[C@@H]1C ZINC001685190296 1292446159 /nfs/dbraw/zinc/44/61/59/1292446159.db2.gz HZTYWXIHHJEDED-NVBFEUDRSA-N -1 3 364.446 0.872 10 0 FCAEHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@H]1CCN(C(=O)c2cnc[n-]c2=O)[C@@H]1C ZINC001685251453 1292469075 /nfs/dbraw/zinc/46/90/75/1292469075.db2.gz FTNOEGZGBNJUPX-GYSYKLTISA-N -1 3 358.402 0.503 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CC[C@H](C(=O)N2CCCC2)C1 ZINC001685573335 1292562989 /nfs/dbraw/zinc/56/29/89/1292562989.db2.gz DXBNWCMXTGMSIX-UONOGXRCSA-N -1 3 374.445 0.415 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CC[C@@H](C(=O)N2CCCC2)C1 ZINC001685573334 1292563009 /nfs/dbraw/zinc/56/30/09/1292563009.db2.gz DXBNWCMXTGMSIX-KGLIPLIRSA-N -1 3 374.445 0.415 10 0 FCAEHM COC(=O)c1ccc(CNC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)o1 ZINC001685649440 1292582928 /nfs/dbraw/zinc/58/29/28/1292582928.db2.gz KFBMIAGJYWUVAT-SNVBAGLBSA-N -1 3 361.358 0.640 10 0 FCAEHM C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001685649798 1292582994 /nfs/dbraw/zinc/58/29/94/1292582994.db2.gz REQSNISUMISWBJ-VXGBXAGGSA-N -1 3 364.450 0.706 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CCNC(=O)c1ccc(=O)[nH]c1 ZINC001685889550 1292681605 /nfs/dbraw/zinc/68/16/05/1292681605.db2.gz XKFKBVZJBRQQKA-DGCLKSJQSA-N -1 3 371.397 0.811 10 0 FCAEHM COC[C@H](NC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)[C@@H]1CCCO1 ZINC001686303207 1292893913 /nfs/dbraw/zinc/89/39/13/1292893913.db2.gz CSIMKNDTLSHUBG-AGIUHOORSA-N -1 3 351.407 0.254 10 0 FCAEHM COC[C@H](NC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)[C@@H]1CCCO1 ZINC001686303208 1292895116 /nfs/dbraw/zinc/89/51/16/1292895116.db2.gz CSIMKNDTLSHUBG-AVGNSLFASA-N -1 3 351.407 0.254 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)N[C@H]1CCCC2(C1)OCCO2 ZINC001687790191 1293014284 /nfs/dbraw/zinc/01/42/84/1293014284.db2.gz WRRSTIPEVBLWCA-STQMWFEESA-N -1 3 363.418 0.746 10 0 FCAEHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@@H](C)Cn2cncn2)c1F ZINC000746403281 836179102 /nfs/dbraw/zinc/17/91/02/836179102.db2.gz CAUVKIBLOQSSHH-QMMMGPOBSA-N -1 3 360.342 0.710 10 0 FCAEHM COC(=O)c1ccc(C(=O)[N-]c2nc(CS(C)(=O)=O)no2)cc1F ZINC001116468193 846687265 /nfs/dbraw/zinc/68/72/65/846687265.db2.gz FZWDBAGKGCOQJN-UHFFFAOYSA-N -1 3 357.319 0.792 10 0 FCAEHM COC(=O)CC1(NC(=O)c2ccc(O)cc2[O-])CCS(=O)(=O)CC1 ZINC001116726130 846748944 /nfs/dbraw/zinc/74/89/44/846748944.db2.gz CFJKEFWGQKBOEB-UHFFFAOYSA-N -1 3 357.384 0.338 10 0 FCAEHM CS(=O)(=O)CCS(=O)(=O)[N-]CC(=O)c1cccc(F)c1Cl ZINC001118883353 847619389 /nfs/dbraw/zinc/61/93/89/847619389.db2.gz UAEVMZDMSPWYMN-UHFFFAOYSA-N -1 3 357.812 0.626 10 0 FCAEHM Cc1cc(S(=O)(=O)N2CCC(N3CC[C@H](O)C3)CC2)sc1C(=O)[O-] ZINC001119002612 847669348 /nfs/dbraw/zinc/66/93/48/847669348.db2.gz UAHUOMCAMVPYRO-LBPRGKRZSA-N -1 3 374.484 0.974 10 0 FCAEHM Cc1nc(C)c(CCC(=O)NCCCN2CCCS2(=O)=O)c(=O)[n-]1 ZINC001119277463 847800211 /nfs/dbraw/zinc/80/02/11/847800211.db2.gz STGYPWSDEYTHTN-UHFFFAOYSA-N -1 3 356.448 0.273 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCN(CC[S@@](C)=O)CC2)c1 ZINC001123595590 848610610 /nfs/dbraw/zinc/61/06/10/848610610.db2.gz ANOCSXTUDIXBCZ-RUZDIDTESA-N -1 3 365.455 0.653 10 0 FCAEHM O=C(c1cc([O-])cc(Br)c1)N1CCN2CCOC[C@]2(CO)C1 ZINC001123966855 848660818 /nfs/dbraw/zinc/66/08/18/848660818.db2.gz AYRWZEJROCYPCM-OAHLLOKOSA-N -1 3 371.231 0.674 10 0 FCAEHM O=C(CCCc1ccc([O-])c(F)c1)N1CCN2CCOC[C@@]2(CO)C1 ZINC001123968885 848661703 /nfs/dbraw/zinc/66/17/03/848661703.db2.gz OIFCKOJTVHSNQY-SFHVURJKSA-N -1 3 352.406 0.760 10 0 FCAEHM COc1ccc(C(=O)NCCc2c(C)[n-][nH]c2=O)cc1S(C)(=O)=O ZINC001136653870 849233083 /nfs/dbraw/zinc/23/30/83/849233083.db2.gz KEPZPMRFQBFFAD-LLVKDONJSA-N -1 3 353.400 0.341 10 0 FCAEHM C[C@H](CNC(=O)c1nc[n-]c(=O)c1Br)CN1CCOCC1 ZINC001136961703 849250260 /nfs/dbraw/zinc/25/02/60/849250260.db2.gz XAOAKPUWOSAYPJ-SECBINFHSA-N -1 3 359.224 0.643 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1cc(CO)on1 ZINC001138741589 849318356 /nfs/dbraw/zinc/31/83/56/849318356.db2.gz NSELQVQJJSBUKK-UHFFFAOYSA-N -1 3 361.326 0.153 10 0 FCAEHM C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001144503214 849524108 /nfs/dbraw/zinc/52/41/08/849524108.db2.gz TZDOFAAFADBETE-UWVGGRQHSA-N -1 3 370.456 0.860 10 0 FCAEHM C[C@H](C(=O)NCc1cc(=O)[n-]c(=S)[nH]1)N1C(=O)c2ccccc2C1=O ZINC001144528365 849525091 /nfs/dbraw/zinc/52/50/91/849525091.db2.gz SUDRMHMHCWZQOR-MRVPVSSYSA-N -1 3 358.379 0.772 10 0 FCAEHM CN(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)cn1 ZINC001164321625 850407910 /nfs/dbraw/zinc/40/79/10/850407910.db2.gz IYFJXTJJGWVUQD-NSHDSACASA-N -1 3 365.415 0.390 10 0 FCAEHM CN(C)S(=O)(=O)c1ccc(C(=O)NCCCc2c[n-][nH]c2=O)cc1 ZINC001168404891 850585641 /nfs/dbraw/zinc/58/56/41/850585641.db2.gz PQZHUUAHQZFCTD-GFCCVEGCSA-N -1 3 352.416 0.179 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCc2nc(CN(C)C)cs2)c(C)o1 ZINC001178083701 850884541 /nfs/dbraw/zinc/88/45/41/850884541.db2.gz NVRHKWFZAIOVFG-UHFFFAOYSA-N -1 3 372.472 0.944 10 0 FCAEHM COC(=O)CCCO[N-]C(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21 ZINC001179176963 850959996 /nfs/dbraw/zinc/95/99/96/850959996.db2.gz NVKGBEUGNNOCRC-SUNKGSAMSA-N -1 3 359.448 0.713 10 0 FCAEHM COCCO[C@H]1C[C@@H](CO)CN(C(=O)Cc2c(C)nc(C)[n-]c2=O)C1 ZINC001183334292 851243656 /nfs/dbraw/zinc/24/36/56/851243656.db2.gz VYECROZJETUQDN-KGLIPLIRSA-N -1 3 353.419 0.214 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NC[C@@H](CO)Cc1ccoc1 ZINC001184191465 851294273 /nfs/dbraw/zinc/29/42/73/851294273.db2.gz ZVFSWXNVHYNMBH-ZDUSSCGKSA-N -1 3 371.415 0.130 10 0 FCAEHM C[C@@H]1CCN(C(=O)NCCCc2nc[nH]n2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001252766742 857839502 /nfs/dbraw/zinc/83/95/02/857839502.db2.gz RCXUXBIYMCLWDM-ZJUUUORDSA-N -1 3 362.356 0.836 10 0 FCAEHM CCN1CCN(C[C@H](C)CNC(=O)N[C@]2(C(=O)[O-])CCSC2)CC1 ZINC001262175518 858807456 /nfs/dbraw/zinc/80/74/56/858807456.db2.gz JCFQNLWWVBXDFQ-CZUORRHYSA-N -1 3 358.508 0.520 10 0 FCAEHM C[C@@H]1CCN(C(=O)c2ncccc2[O-])[C@H](CNCCS(C)(=O)=O)C1 ZINC001263986337 859268042 /nfs/dbraw/zinc/26/80/42/859268042.db2.gz AQQOGWNHRWOOIK-OLZOCXBDSA-N -1 3 355.460 0.662 10 0 FCAEHM CCCCO[C@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001281639801 863561243 /nfs/dbraw/zinc/56/12/43/863561243.db2.gz DTKOBQBZBFZLRN-XNRPHZJLSA-N -1 3 350.415 0.899 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CN(C(=O)COC(C)(C)C)C[C@H]1C ZINC001281795102 863749903 /nfs/dbraw/zinc/74/99/03/863749903.db2.gz YLRHGPJPMQYSHK-ZYHUDNBSSA-N -1 3 350.419 0.882 10 0 FCAEHM O=C(CCc1ccsc1)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@@H]1O ZINC001281898358 863908701 /nfs/dbraw/zinc/90/87/01/863908701.db2.gz DRBVRHQRIJBWJX-OLZOCXBDSA-N -1 3 362.411 0.178 10 0 FCAEHM CCS(=O)(=O)CC(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001282097649 864051277 /nfs/dbraw/zinc/05/12/77/864051277.db2.gz GIWZYEWEGBBPOG-QWHCGFSZSA-N -1 3 368.455 0.842 10 0 FCAEHM COC[C@@H](C)CC(=O)NC[C@H]1CC[C@@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001282153550 864088233 /nfs/dbraw/zinc/08/82/33/864088233.db2.gz ZGARFUXEJCQYBK-RWMBFGLXSA-N -1 3 350.419 0.870 10 0 FCAEHM COC[C@H](C)C(=O)N1C[C@@H](CNC(=O)c2c(C)nc[n-]c2=O)[C@H](C)C1 ZINC001282504497 864311055 /nfs/dbraw/zinc/31/10/55/864311055.db2.gz LGSASVCQZXOIMW-NTZNESFSSA-N -1 3 350.419 0.597 10 0 FCAEHM CC[C@@H](CC(F)F)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001289109902 864921820 /nfs/dbraw/zinc/92/18/20/864921820.db2.gz BDFGBGRGLKJCKK-JMJZKYOTSA-N -1 3 358.345 0.165 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F ZINC001292969938 865765247 /nfs/dbraw/zinc/76/52/47/865765247.db2.gz QYANIDSRFFNQKO-NXEZZACHSA-N -1 3 364.324 0.778 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@H]1CCC2(C1)OCCO2 ZINC001295685024 865914626 /nfs/dbraw/zinc/91/46/26/865914626.db2.gz RDWWPPWSBGJVQR-QMMMGPOBSA-N -1 3 374.191 0.123 10 0 FCAEHM C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)c1cnncc1[O-] ZINC001296984937 866001188 /nfs/dbraw/zinc/00/11/88/866001188.db2.gz UOSVOHOVHNJOJV-NSHDSACASA-N -1 3 350.400 0.669 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(OC)(OC)[C@@H](O)C2)c1 ZINC001299815578 866196898 /nfs/dbraw/zinc/19/68/98/866196898.db2.gz YVIUFUURDRMUSX-AWEZNQCLSA-N -1 3 350.371 0.713 10 0 FCAEHM Cc1c(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)nnn1Cc1ccncc1 ZINC001300198006 866215605 /nfs/dbraw/zinc/21/56/05/866215605.db2.gz OHSJUZWWEZOFEN-UHFFFAOYSA-N -1 3 357.399 0.744 10 0 FCAEHM O=S(=O)([N-][C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1)c1cscn1 ZINC001349082559 866228641 /nfs/dbraw/zinc/22/86/41/866228641.db2.gz XONCOBWHEJUKIX-ONGXEEELSA-N -1 3 352.459 0.158 10 0 FCAEHM Cc1cc(S(C)(=O)=O)cc(C(=O)NCCCc2c[n-][nH]c2=O)c1C ZINC001301571137 866271778 /nfs/dbraw/zinc/27/17/78/866271778.db2.gz MBUOPBVIGLOKLA-GFCCVEGCSA-N -1 3 351.428 0.949 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)OC[C@@H]2CCN2C2CCOCC2)o1 ZINC001349759877 866433912 /nfs/dbraw/zinc/43/39/12/866433912.db2.gz FCUHIWUIRWLXIA-LBPRGKRZSA-N -1 3 358.416 0.598 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]Cc1nc2c(s1)COCC2)[C@@H]1CCOC1 ZINC001350889295 866721644 /nfs/dbraw/zinc/72/16/44/866721644.db2.gz IJJPVKKYPOBBCO-ZYHUDNBSSA-N -1 3 362.473 0.687 10 0 FCAEHM CCN(CC)S(=O)(=O)c1ccc(OC)c([N-]C(=O)c2nnn(C)n2)c1 ZINC001351166416 866798295 /nfs/dbraw/zinc/79/82/95/866798295.db2.gz QPGVITPYLZUCKX-UHFFFAOYSA-N -1 3 368.419 0.502 10 0 FCAEHM CSc1nn(C)c(NC(=O)CCc2c(C)nc(C)[n-]c2=O)c1C(N)=O ZINC001318872353 867769927 /nfs/dbraw/zinc/76/99/27/867769927.db2.gz ZZIZACZUNRSIDO-UHFFFAOYSA-N -1 3 364.431 0.925 10 0 FCAEHM C[C@H]1CN(C(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)CC(=O)N1C ZINC001321191306 868393705 /nfs/dbraw/zinc/39/37/05/868393705.db2.gz CVRIJBNTQVXEPT-JTQLQIEISA-N -1 3 372.422 0.569 10 0 FCAEHM Cn1ncc(CNC(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)n1 ZINC001324874722 869700312 /nfs/dbraw/zinc/70/03/12/869700312.db2.gz HLCSAXFMVDPPBT-UHFFFAOYSA-N -1 3 356.383 0.325 10 0 FCAEHM COc1cc(C(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc(OC)c1[O-] ZINC001326383098 870287090 /nfs/dbraw/zinc/28/70/90/870287090.db2.gz QTFNJDJMLALWTM-INIZCTEOSA-N -1 3 371.411 0.439 10 0 FCAEHM CC[C@@H](NC(=O)C(=O)NCc1nc(C(F)(F)F)n[n-]1)[C@@H]1CCCCO1 ZINC001327237009 870734956 /nfs/dbraw/zinc/73/49/56/870734956.db2.gz SHYUFWRINGZNLI-BDAKNGLRSA-N -1 3 363.340 0.904 10 0 FCAEHM O=C(CCCF)NCc1nc(CNC(=O)[C@]23C[C@H]2COC3)cc(=O)[n-]1 ZINC001344653112 870971464 /nfs/dbraw/zinc/97/14/64/870971464.db2.gz ZPDIQXMRGPETGA-QFYYESIMSA-N -1 3 352.366 0.201 10 0 FCAEHM CO[C@H](C(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O)[C@@H]1CCOC1 ZINC001328546419 871496674 /nfs/dbraw/zinc/49/66/74/871496674.db2.gz WYZCINQGUFTVMZ-YGRLFVJLSA-N -1 3 360.407 0.865 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)NCCOCCCO ZINC001328569200 871511792 /nfs/dbraw/zinc/51/17/92/871511792.db2.gz MGMSJEPZXXPPDH-UHFFFAOYSA-N -1 3 356.853 0.195 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)NC[C@@H]1CN(C(=O)C(F)F)C[C@H]1C ZINC001346160075 871677320 /nfs/dbraw/zinc/67/73/20/871677320.db2.gz WASLMFPVFCHCAP-MWLCHTKSSA-N -1 3 356.373 0.899 10 0 FCAEHM CCOCCC(=O)N1C[C@@H](CNC(=O)c2c(C)nc[n-]c2=O)[C@H](C)C1 ZINC001346225331 871716322 /nfs/dbraw/zinc/71/63/22/871716322.db2.gz RVSYMDWONXXCLT-DGCLKSJQSA-N -1 3 350.419 0.742 10 0 FCAEHM CSC[C@H](CCO)[N-]S(=O)(=O)c1cn(C)nc1Br ZINC001329316088 871948950 /nfs/dbraw/zinc/94/89/50/871948950.db2.gz KHJVLPWKBLKDGG-ZETCQYMHSA-N -1 3 358.283 0.575 10 0 FCAEHM C[C@@H]1C[C@@H](NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)c2ncnn21 ZINC001329363723 871979433 /nfs/dbraw/zinc/97/94/33/871979433.db2.gz JTOLJRQROADKET-HTRCEHHLSA-N -1 3 369.179 0.125 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)C[C@H]3CCS(=O)(=O)C3)cc2n(C)c1=O ZINC001347538582 872380298 /nfs/dbraw/zinc/38/02/98/872380298.db2.gz HCHGJIGHLGRINA-SECBINFHSA-N -1 3 353.400 0.346 10 0 FCAEHM C[C@H](CNC(=O)C(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccccn1 ZINC001330594697 872724094 /nfs/dbraw/zinc/72/40/94/872724094.db2.gz AWHMTBZVANSXKR-MRVPVSSYSA-N -1 3 356.308 0.755 10 0 FCAEHM C[C@@H](CNC(=O)C(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccccn1 ZINC001330594698 872724279 /nfs/dbraw/zinc/72/42/79/872724279.db2.gz AWHMTBZVANSXKR-QMMMGPOBSA-N -1 3 356.308 0.755 10 0 FCAEHM COC(=O)[C@@H](C[C@@H]1CCCOC1)NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC001331712531 873210280 /nfs/dbraw/zinc/21/02/80/873210280.db2.gz RTHKGKUXOIBOQX-GXTWGEPZSA-N -1 3 351.403 0.816 10 0 FCAEHM COC1(OC)CCCC[C@@H]1[N-]S(=O)(=O)C1CCS(=O)(=O)CC1 ZINC001332764699 873648260 /nfs/dbraw/zinc/64/82/60/873648260.db2.gz UAVYPZXYXCUPJN-LBPRGKRZSA-N -1 3 355.478 0.415 10 0 FCAEHM CN1CCC[C@@H](C(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)C1=O ZINC001333111730 873805542 /nfs/dbraw/zinc/80/55/42/873805542.db2.gz QVMMBSFPWFPZTH-JTQLQIEISA-N -1 3 357.407 0.682 10 0 FCAEHM CC(C)N1CCN(C(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])CC1=O ZINC000292150071 214081464 /nfs/dbraw/zinc/08/14/64/214081464.db2.gz UEODFNFMBUZGMG-UHFFFAOYSA-N -1 3 374.372 0.567 10 0 FCAEHM CC(C)N1CCN(C(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)CC1=O ZINC000292150071 214081466 /nfs/dbraw/zinc/08/14/66/214081466.db2.gz UEODFNFMBUZGMG-UHFFFAOYSA-N -1 3 374.372 0.567 10 0 FCAEHM C[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)CN1CC(=O)[N-]C1=O ZINC000292321845 214092563 /nfs/dbraw/zinc/09/25/63/214092563.db2.gz KGDQPLPCNSOULV-LLVKDONJSA-N -1 3 356.423 0.738 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]CCCc1cnn(C)n1 ZINC000292709585 214118232 /nfs/dbraw/zinc/11/82/32/214118232.db2.gz DWXNFRRRKJMLAJ-UHFFFAOYSA-N -1 3 356.404 0.723 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CF)C(=O)OC)c(F)cc1C ZINC000293168410 214151825 /nfs/dbraw/zinc/15/18/25/214151825.db2.gz RVQNAXILIPDFSQ-JTQLQIEISA-N -1 3 351.327 0.710 10 0 FCAEHM CO[C@@H](C)CS(=O)(=O)[N-]c1cccc(CC(=O)N2CCN(C)CC2)c1 ZINC000294927053 214270523 /nfs/dbraw/zinc/27/05/23/214270523.db2.gz CTKULAYLVKSKHG-AWEZNQCLSA-N -1 3 369.487 0.780 10 0 FCAEHM CCc1noc(C)c1CNC(=O)C[N-]S(=O)(=O)c1c(C)noc1C ZINC000295724863 214315259 /nfs/dbraw/zinc/31/52/59/214315259.db2.gz ZRYJLDSVEUQYPH-UHFFFAOYSA-N -1 3 356.404 0.745 10 0 FCAEHM CC[C@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC)[C@@H](O)C(F)F ZINC000295664375 214310854 /nfs/dbraw/zinc/31/08/54/214310854.db2.gz GNWUAMZDLRVIRP-GZMMTYOYSA-N -1 3 372.415 0.278 10 0 FCAEHM CC[C@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC)[C@H](O)C(F)F ZINC000295664396 214310877 /nfs/dbraw/zinc/31/08/77/214310877.db2.gz GNWUAMZDLRVIRP-KWQFWETISA-N -1 3 372.415 0.278 10 0 FCAEHM O=C1[N-]C(=O)[C@]2(CCCN(S(=O)(=O)CCOCc3ccccc3)C2)N1 ZINC000296220561 214337243 /nfs/dbraw/zinc/33/72/43/214337243.db2.gz MTDLFPINMXXBPX-MRXNPFEDSA-N -1 3 367.427 0.207 10 0 FCAEHM CC[C@@H](NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O)[C@H](O)C(F)F ZINC000296380144 214347080 /nfs/dbraw/zinc/34/70/80/214347080.db2.gz VPIDXROGAUBSQD-YPMHNXCESA-N -1 3 355.341 0.601 10 0 FCAEHM CC[C@H](NC(=O)NCC[N-]S(=O)(=O)c1cccs1)[C@@H](O)C(F)F ZINC000297160492 214382267 /nfs/dbraw/zinc/38/22/67/214382267.db2.gz DPQDJULALPYXBB-WCBMZHEXSA-N -1 3 371.431 0.730 10 0 FCAEHM CC[C@@H](NC(=O)NCc1ccc(S(=O)(=O)[N-]C)s1)[C@H](O)C(F)F ZINC000297253239 214388430 /nfs/dbraw/zinc/38/84/30/214388430.db2.gz BBQZPHVBSJHOMS-SCZZXKLOSA-N -1 3 371.431 0.860 10 0 FCAEHM COc1ncccc1CCNC(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000291508364 214039643 /nfs/dbraw/zinc/03/96/43/214039643.db2.gz WEEGSRFSYLMPOG-UHFFFAOYSA-N -1 3 368.393 0.842 10 0 FCAEHM COc1ccc([C@@H](O)C2CCN(C(=O)CN3CC(=O)[N-]C3=O)CC2)cc1 ZINC000291052420 214010724 /nfs/dbraw/zinc/01/07/24/214010724.db2.gz IERSCHSZBPOIKF-QGZVFWFLSA-N -1 3 361.398 0.519 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCO[C@H]2CCC[C@@H]21 ZINC000329278507 214844727 /nfs/dbraw/zinc/84/47/27/214844727.db2.gz LGZSVIUBEILRTP-DRZSPHRISA-N -1 3 357.432 0.738 10 0 FCAEHM Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)CN1CC(=O)[N-]C1=O ZINC000265470747 210143618 /nfs/dbraw/zinc/14/36/18/210143618.db2.gz XHYWMAIJKNGLLN-UHFFFAOYSA-N -1 3 372.303 0.777 10 0 FCAEHM NC(=O)c1ccc(N2CCCCC2)c(NC(=O)CN2CC(=O)[N-]C2=O)c1 ZINC000265455112 210138454 /nfs/dbraw/zinc/13/84/54/210138454.db2.gz PYHQUYCNXUQWHP-UHFFFAOYSA-N -1 3 359.386 0.266 10 0 FCAEHM C[C@@H]1CN(Cc2ccccc2NC(=O)CN2CC(=O)[N-]C2=O)C[C@H](C)O1 ZINC000265429142 210133846 /nfs/dbraw/zinc/13/38/46/210133846.db2.gz FNSHLULADOGVNN-BETUJISGSA-N -1 3 360.414 0.786 10 0 FCAEHM COC(=O)CCCOc1ccc(CNC(=O)CN2CC(=O)[N-]C2=O)cc1 ZINC000265244775 210081665 /nfs/dbraw/zinc/08/16/65/210081665.db2.gz XARHMFNGBUWWLR-UHFFFAOYSA-N -1 3 363.370 0.187 10 0 FCAEHM CCOc1cc(CNC(=O)CN2CC(=O)[N-]C2=O)ccc1OC(F)F ZINC000264858530 210002191 /nfs/dbraw/zinc/00/21/91/210002191.db2.gz OSWDXQKFFAOEST-UHFFFAOYSA-N -1 3 357.313 0.855 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NCCCc1nc(-c2ccncc2)cs1 ZINC000264813902 209990148 /nfs/dbraw/zinc/99/01/48/209990148.db2.gz GJQDJKLERAXWJQ-UHFFFAOYSA-N -1 3 359.411 0.806 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)N1CCN(C2CC2)CC1 ZINC000332811219 215212092 /nfs/dbraw/zinc/21/20/92/215212092.db2.gz QNTCSVIJTLLNKB-UHFFFAOYSA-N -1 3 354.410 0.565 10 0 FCAEHM Cc1nn(C)c(C)c1[C@H]1[C@H]([N-]S(=O)(=O)[C@@H]2CCO[C@H]2C)CC(=O)N1C ZINC000333099443 215236117 /nfs/dbraw/zinc/23/61/17/215236117.db2.gz PRQOIWHZBNPTAG-VPWBDBDCSA-N -1 3 370.475 0.406 10 0 FCAEHM CC1(C)Cc2ccc(C(=O)NC[C@H](O)CN3CCOCC3)c([O-])c2O1 ZINC000333119368 215238428 /nfs/dbraw/zinc/23/84/28/215238428.db2.gz ZOBCOYUQHCLVID-ZDUSSCGKSA-N -1 3 350.415 0.529 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@H]3CCN(C)C[C@@H]32)c(C)o1 ZINC000285676564 213376494 /nfs/dbraw/zinc/37/64/94/213376494.db2.gz HJVDMXBDYGSWHX-STQMWFEESA-N -1 3 357.432 0.041 10 0 FCAEHM Cc1cc(CS(=O)(=O)[N-]C[C@@H](N2CCOCC2)C(F)(F)F)no1 ZINC000285384948 213334340 /nfs/dbraw/zinc/33/43/40/213334340.db2.gz NNOYDRIUBCMYPZ-LLVKDONJSA-N -1 3 357.354 0.666 10 0 FCAEHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](C)Cn2cncn2)c1 ZINC000285360553 213331140 /nfs/dbraw/zinc/33/11/40/213331140.db2.gz ZZDUDLKVZIHCSH-SNVBAGLBSA-N -1 3 356.379 0.961 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000362062422 215413752 /nfs/dbraw/zinc/41/37/52/215413752.db2.gz BTQLOKCNTYQSQZ-PWSUYJOCSA-N -1 3 370.331 0.998 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CO)C[C@H](O)C(C)(C)C)s1 ZINC000284812561 213225651 /nfs/dbraw/zinc/22/56/51/213225651.db2.gz ZWPHWJALQNOYFJ-ONGXEEELSA-N -1 3 365.473 0.971 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](CO)C[C@H](O)C(C)(C)C)c(C)o1 ZINC000284756739 213213706 /nfs/dbraw/zinc/21/37/06/213213706.db2.gz UUVCEHVIWLFBAD-GWCFXTLKSA-N -1 3 363.432 0.811 10 0 FCAEHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](CO)C[C@@H](O)C(C)(C)C ZINC000284721496 213206109 /nfs/dbraw/zinc/20/61/09/213206109.db2.gz RKWUAJMHQHAMCW-MWLCHTKSSA-N -1 3 365.473 0.971 10 0 FCAEHM CCc1ccc(CS(=O)(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000366152284 215939317 /nfs/dbraw/zinc/93/93/17/215939317.db2.gz AKYXAGDXWBLEQH-INIZCTEOSA-N -1 3 351.428 0.753 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CC[C@H](C(=O)N(C)C)C1 ZINC000412554117 237226943 /nfs/dbraw/zinc/22/69/43/237226943.db2.gz ALUHQXYSVREQKH-RYUDHWBXSA-N -1 3 371.434 0.429 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)N1CC(F)(F)C[C@H]1CO ZINC000366671583 216014277 /nfs/dbraw/zinc/01/42/77/216014277.db2.gz AKDSMOKPCYVTBR-JTQLQIEISA-N -1 3 365.336 0.486 10 0 FCAEHM CCn1[nH]c(C)nc1=NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000412858828 237247079 /nfs/dbraw/zinc/24/70/79/237247079.db2.gz BDHGXKDALVEEKH-VIFPVBQESA-N -1 3 355.395 0.473 10 0 FCAEHM CN(C)C(=O)[C@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000412592485 237232377 /nfs/dbraw/zinc/23/23/77/237232377.db2.gz ZUAWKEGZSCPVIJ-ZFWWWQNUSA-N -1 3 359.426 0.934 10 0 FCAEHM C[C@H]1[C@@H]([N-]S(=O)(=O)CCS(C)(=O)=O)CC(=O)N1Cc1ccccc1 ZINC000367006107 216062741 /nfs/dbraw/zinc/06/27/41/216062741.db2.gz YNXAXEXCJZDEKN-JSGCOSHPSA-N -1 3 374.484 0.140 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000367284525 216103245 /nfs/dbraw/zinc/10/32/45/216103245.db2.gz DJVPGCLMDBVJJE-VXGBXAGGSA-N -1 3 371.484 0.544 10 0 FCAEHM COc1nc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)n[n-]1 ZINC000368033223 216193684 /nfs/dbraw/zinc/19/36/84/216193684.db2.gz DLHHJHRQGJLTJG-JTQLQIEISA-N -1 3 359.342 0.785 10 0 FCAEHM COc1nnc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)[n-]1 ZINC000368033223 216193685 /nfs/dbraw/zinc/19/36/85/216193685.db2.gz DLHHJHRQGJLTJG-JTQLQIEISA-N -1 3 359.342 0.785 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)n1 ZINC000368033223 216193687 /nfs/dbraw/zinc/19/36/87/216193687.db2.gz DLHHJHRQGJLTJG-JTQLQIEISA-N -1 3 359.342 0.785 10 0 FCAEHM C[C@@H](CNC(=O)[C@@H](C)N1CCC[C@]2(C1)NC(=O)[N-]C2=O)c1ccccc1 ZINC000192638422 209303497 /nfs/dbraw/zinc/30/34/97/209303497.db2.gz VXPCKDKQBGEDDV-IQUTYRLHSA-N -1 3 358.442 0.969 10 0 FCAEHM C[C@@H](CNC(=O)[C@H](C)N1CCC[C@]2(C1)NC(=O)[N-]C2=O)c1ccccc1 ZINC000192638459 209303339 /nfs/dbraw/zinc/30/33/39/209303339.db2.gz VXPCKDKQBGEDDV-CKFHNAJUSA-N -1 3 358.442 0.969 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC[C@]1(O)CCO[C@@H]1C ZINC000279457737 212554095 /nfs/dbraw/zinc/55/40/95/212554095.db2.gz KYVPROCZCFMJEP-FIXISWKDSA-N -1 3 360.407 0.149 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCN(c2cc(C(F)(F)F)ccn2)CC1 ZINC000368700404 216283627 /nfs/dbraw/zinc/28/36/27/216283627.db2.gz SLGGOVNCJYJNRV-UHFFFAOYSA-N -1 3 371.319 0.301 10 0 FCAEHM Cc1cc(N2CCC[C@H](NC(=O)CNC(=O)c3cccc([O-])c3)C2)n(C)n1 ZINC000277851090 212403297 /nfs/dbraw/zinc/40/32/97/212403297.db2.gz CMKRPYIKVQKDCL-HNNXBMFYSA-N -1 3 371.441 0.949 10 0 FCAEHM COc1nnc(NC(=O)[C@](C)(O)CN2c3ccccc3C(C)(C)C2=O)[n-]1 ZINC000277457603 212361946 /nfs/dbraw/zinc/36/19/46/212361946.db2.gz YADCOKQZBWHYMU-QGZVFWFLSA-N -1 3 359.386 0.827 10 0 FCAEHM COc1nc(NC(=O)[C@](C)(O)CN2c3ccccc3C(C)(C)C2=O)n[n-]1 ZINC000277457603 212361949 /nfs/dbraw/zinc/36/19/49/212361949.db2.gz YADCOKQZBWHYMU-QGZVFWFLSA-N -1 3 359.386 0.827 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@](C)(O)CN2c3ccccc3C(C)(C)C2=O)n1 ZINC000277457603 212361952 /nfs/dbraw/zinc/36/19/52/212361952.db2.gz YADCOKQZBWHYMU-QGZVFWFLSA-N -1 3 359.386 0.827 10 0 FCAEHM COC(=O)[C@@H](O)C(C)(C)[N-]S(=O)(=O)c1cc(OC)c(OC)cc1F ZINC000277157624 212335599 /nfs/dbraw/zinc/33/55/99/212335599.db2.gz ZCEUQKFRDNFOMS-GFCCVEGCSA-N -1 3 365.379 0.434 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-][C@H]2CCN(Cc3ccc(F)cc3)C2=O)c1 ZINC000277083652 212326482 /nfs/dbraw/zinc/32/64/82/212326482.db2.gz QYSMLDZFHWGQSH-ZDUSSCGKSA-N -1 3 352.391 0.639 10 0 FCAEHM CN(C)c1nc(CN(C)[C@@H]2CCN(C(=O)[C@@]3(C)CCCO3)C2)cc(=O)[n-]1 ZINC000276625112 212266642 /nfs/dbraw/zinc/26/66/42/212266642.db2.gz WVBIZVXHSORZEA-RDTXWAMCSA-N -1 3 363.462 0.850 10 0 FCAEHM CN(C)c1nc(CN(C)[C@@H]2CCN(C(=O)[C@]3(C)CCCO3)C2)cc(=O)[n-]1 ZINC000276625102 212266200 /nfs/dbraw/zinc/26/62/00/212266200.db2.gz WVBIZVXHSORZEA-KDOFPFPSSA-N -1 3 363.462 0.850 10 0 FCAEHM COC[C@H]1CN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)C[C@@H](C)O1 ZINC000276064451 212150432 /nfs/dbraw/zinc/15/04/32/212150432.db2.gz SRJBVIRVKVGLMJ-FRRDWIJNSA-N -1 3 374.434 0.755 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNS(=O)(=O)[C@@H]2CCO[C@H]2C)s1 ZINC000276056826 212149446 /nfs/dbraw/zinc/14/94/46/212149446.db2.gz PLKYBLFMSGONSU-WCBMZHEXSA-N -1 3 354.475 0.253 10 0 FCAEHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@]1(C(=O)OC)CCOC1 ZINC000275996886 212136246 /nfs/dbraw/zinc/13/62/46/212136246.db2.gz HGXDXIZNRGWAAR-CYBMUJFWSA-N -1 3 363.413 0.454 10 0 FCAEHM COc1cc(NC(=O)C[N-]S(=O)(=O)[C@@H]2CCO[C@H]2C)cc(OC)c1 ZINC000275976767 212132486 /nfs/dbraw/zinc/13/24/86/212132486.db2.gz DEUZNLQVVKPEBS-IINYFYTJSA-N -1 3 358.416 0.739 10 0 FCAEHM C[C@H]1OCC[C@@H]1S(=O)(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000275974648 212131455 /nfs/dbraw/zinc/13/14/55/212131455.db2.gz DBGUIPQWKGWKIO-ZJUUUORDSA-N -1 3 354.475 0.123 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC000372449241 216883258 /nfs/dbraw/zinc/88/32/58/216883258.db2.gz FMRQMJPVICSGNI-MRXNPFEDSA-N -1 3 351.790 0.398 10 0 FCAEHM O=C([O-])CN1CCC(NS(=O)(=O)c2ccc3c(c2)CCCO3)CC1 ZINC000275378047 212015793 /nfs/dbraw/zinc/01/57/93/212015793.db2.gz ZKEPFWDIVDUDLW-UHFFFAOYSA-N -1 3 354.428 0.839 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000185186166 209174856 /nfs/dbraw/zinc/17/48/56/209174856.db2.gz PTNMCFOWHSPRIF-KOLCDFICSA-N -1 3 370.331 0.998 10 0 FCAEHM Cc1nc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@@H]2O)[n-]c1-c1ccccc1 ZINC000275320267 212006856 /nfs/dbraw/zinc/00/68/56/212006856.db2.gz XNHKZYRJMOTEGO-NWDGAFQWSA-N -1 3 356.425 0.317 10 0 FCAEHM Cc1[n-]c(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@@H]2O)nc1-c1ccccc1 ZINC000275320267 212006860 /nfs/dbraw/zinc/00/68/60/212006860.db2.gz XNHKZYRJMOTEGO-NWDGAFQWSA-N -1 3 356.425 0.317 10 0 FCAEHM O=C(CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])NCC(F)F ZINC000373644010 217040547 /nfs/dbraw/zinc/04/05/47/217040547.db2.gz KJWBMEBFCKPFDM-LLVKDONJSA-N -1 3 355.341 0.494 10 0 FCAEHM COc1cccc2c1OCC(C(=O)N1CCC[C@@]3(C1)NC(=O)[N-]C3=O)=C2 ZINC000373833759 217065727 /nfs/dbraw/zinc/06/57/27/217065727.db2.gz XGOKPQGOSIXZIQ-SFHVURJKSA-N -1 3 357.366 0.672 10 0 FCAEHM C[C@@H]1C[C@H]1N1C[C@H](NC(=O)C[N-]S(=O)(=O)c2cccs2)CC1=O ZINC000374139885 217099725 /nfs/dbraw/zinc/09/97/25/217099725.db2.gz GAGGRUAHSMICIJ-GMTAPVOTSA-N -1 3 357.457 0.152 10 0 FCAEHM O=C(CC[C@@H]1NC(=O)[N-]C1=O)N1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000375200960 217231092 /nfs/dbraw/zinc/23/10/92/217231092.db2.gz OPPDLXHHVOLRSJ-AWEZNQCLSA-N -1 3 366.368 0.992 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CC[C@]2(C1)CCCOC2 ZINC000375316872 217248794 /nfs/dbraw/zinc/24/87/94/217248794.db2.gz FHMZUDVEJMJHNZ-AWEZNQCLSA-N -1 3 372.219 0.741 10 0 FCAEHM COc1ccc(C(=O)[N-]C(=O)CN2CCC(OC)(OC)[C@H](O)C2)cc1 ZINC000931637901 674124617 /nfs/dbraw/zinc/12/46/17/674124617.db2.gz ZGGVZUAEOZXWAQ-CQSZACIVSA-N -1 3 352.387 0.007 10 0 FCAEHM CC(=O)Nc1ccc(N2C(=O)C[C@@H](SC[C@@H](N)C(=O)[O-])C2=O)cc1 ZINC000016900231 220195797 /nfs/dbraw/zinc/19/57/97/220195797.db2.gz UVPXAAQCACHPNQ-VXGBXAGGSA-N -1 3 351.384 0.422 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)N1CCNC[C@@H]1C(F)F ZINC000377558973 217560490 /nfs/dbraw/zinc/56/04/90/217560490.db2.gz BNXFPOGJJOSDME-LLVKDONJSA-N -1 3 365.377 0.560 10 0 FCAEHM Cc1nc(C[N-]S(=O)(=O)C2CN(C(=O)c3cccc(Cl)c3)C2)no1 ZINC000378570500 217711817 /nfs/dbraw/zinc/71/18/17/217711817.db2.gz SBYYRQTZKYSSRF-UHFFFAOYSA-N -1 3 370.818 0.975 10 0 FCAEHM CC(C)C[C@H](CNC(=O)C(=O)NCCCN1CCCO[C@H](C)C1)C(=O)[O-] ZINC000424503383 247243840 /nfs/dbraw/zinc/24/38/40/247243840.db2.gz PBNRPVYWGPHMBC-HUUCEWRRSA-N -1 3 371.478 0.467 10 0 FCAEHM CC(C)C[C@@H](CNC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1)C(=O)[O-] ZINC000424517037 247246691 /nfs/dbraw/zinc/24/66/91/247246691.db2.gz KNLPVQBGOCWXIM-LRDDRELGSA-N -1 3 359.492 0.403 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N[C@@H]2C[C@@]2(F)c2ccccc2)c1 ZINC000424991211 247283949 /nfs/dbraw/zinc/28/39/49/247283949.db2.gz GCIJWGWRPHZUDK-IUODEOHRSA-N -1 3 352.391 0.452 10 0 FCAEHM O=C(N[C@@H](CO)CN1CCOCC1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000425298551 247319455 /nfs/dbraw/zinc/31/94/55/247319455.db2.gz XAJREEWPVUDTQP-LLVKDONJSA-N -1 3 367.352 0.229 10 0 FCAEHM CC(=O)N1CSC[C@@H]1C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000408410573 217773216 /nfs/dbraw/zinc/77/32/16/217773216.db2.gz UWFVZVTWAHUGFB-OAHLLOKOSA-N -1 3 363.439 0.598 10 0 FCAEHM COC(=O)c1nscc1S(=O)(=O)[N-]Cc1nnc(C2CCC2)n1C ZINC000438893437 248101714 /nfs/dbraw/zinc/10/17/14/248101714.db2.gz IWCLRSREUOTMPY-UHFFFAOYSA-N -1 3 371.444 0.804 10 0 FCAEHM C[C@H]1CCCN1S(=O)(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436884158 248053983 /nfs/dbraw/zinc/05/39/83/248053983.db2.gz KEUQVXDFTNZJCY-ZDUSSCGKSA-N -1 3 353.444 0.879 10 0 FCAEHM NC(=O)C1CCC(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)CC1 ZINC000436974092 248055730 /nfs/dbraw/zinc/05/57/30/248055730.db2.gz WFBOQWDPIYJXFZ-UHFFFAOYSA-N -1 3 374.441 0.904 10 0 FCAEHM NS(=O)(=O)CCCCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436994488 248056268 /nfs/dbraw/zinc/05/62/68/248056268.db2.gz DADJCGXUPYLIAW-CYBMUJFWSA-N -1 3 369.443 0.182 10 0 FCAEHM NC(=O)c1ccc(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cn1 ZINC000439061387 248108951 /nfs/dbraw/zinc/10/89/51/248108951.db2.gz SVXXMBKHVPPSBB-OAHLLOKOSA-N -1 3 368.393 0.807 10 0 FCAEHM NC(=O)c1cncc(NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)n1 ZINC000440677848 248203860 /nfs/dbraw/zinc/20/38/60/248203860.db2.gz UDIXDQKODNNVAY-UHFFFAOYSA-N -1 3 373.797 0.758 10 0 FCAEHM C[C@@H](NC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F)[C@H](C)CO ZINC000442165359 248277006 /nfs/dbraw/zinc/27/70/06/248277006.db2.gz WQVAHZITUBNVNU-NXEZZACHSA-N -1 3 365.402 0.559 10 0 FCAEHM CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)[N-]c2sccc2C(=O)OC)C1 ZINC000442220363 248278744 /nfs/dbraw/zinc/27/87/44/248278744.db2.gz PHSNOFLLRJBEQD-SNVBAGLBSA-N -1 3 367.427 0.990 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)N1CC(CO)C1 ZINC000442595060 248292207 /nfs/dbraw/zinc/29/22/07/248292207.db2.gz NATBVRHSDHJLAG-UHFFFAOYSA-N -1 3 365.814 0.391 10 0 FCAEHM COC(=O)[C@]1([N-]S(=O)(=O)c2cnccc2C(F)(F)F)CCOC1 ZINC000442766682 248295526 /nfs/dbraw/zinc/29/55/26/248295526.db2.gz ORSKFFITNHZAAV-NSHDSACASA-N -1 3 354.306 0.711 10 0 FCAEHM CCc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc(OC)c(C(N)=O)c2)no1 ZINC000443159033 248308954 /nfs/dbraw/zinc/30/89/54/248308954.db2.gz RSINADDGLOQZGJ-UHFFFAOYSA-N -1 3 368.415 0.953 10 0 FCAEHM CCc1nc(C(C)(C)NC(=O)c2ccc(S(=O)(=O)[N-]C)nc2)no1 ZINC000443363701 248322814 /nfs/dbraw/zinc/32/28/14/248322814.db2.gz XJSRWRNUSFPFIC-UHFFFAOYSA-N -1 3 353.404 0.600 10 0 FCAEHM Cc1ccc([C@H](Cn2ccnc2)NC(=O)CN2CC(=O)[N-]C2=O)c(C)c1 ZINC000441857337 248264121 /nfs/dbraw/zinc/26/41/21/248264121.db2.gz VYXTWQOGJORZNC-HNNXBMFYSA-N -1 3 355.398 0.909 10 0 FCAEHM CCOC(=O)[C@H]1CN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)CC12COC2 ZINC000452264574 249304514 /nfs/dbraw/zinc/30/45/14/249304514.db2.gz ORSFGIRJUXWZIM-CYBMUJFWSA-N -1 3 358.350 0.222 10 0 FCAEHM COc1nc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)n[n-]1 ZINC000271337625 211382478 /nfs/dbraw/zinc/38/24/78/211382478.db2.gz ZUDKBQPUHQLJDH-MRXNPFEDSA-N -1 3 374.357 0.228 10 0 FCAEHM COc1n[n-]c(NC(=O)CN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)n1 ZINC000271337625 211382482 /nfs/dbraw/zinc/38/24/82/211382482.db2.gz ZUDKBQPUHQLJDH-MRXNPFEDSA-N -1 3 374.357 0.228 10 0 FCAEHM COc1nnc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)[n-]1 ZINC000271337625 211382472 /nfs/dbraw/zinc/38/24/72/211382472.db2.gz ZUDKBQPUHQLJDH-MRXNPFEDSA-N -1 3 374.357 0.228 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@@H](O)C(C)C)cc1F ZINC000271233687 211360200 /nfs/dbraw/zinc/36/02/00/211360200.db2.gz VUXLZXWSBQEBFM-CYBMUJFWSA-N -1 3 368.452 0.883 10 0 FCAEHM CC(C)C(=O)NCCN(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000270992617 211314517 /nfs/dbraw/zinc/31/45/17/211314517.db2.gz FANWSVUBGJCRMO-LBPRGKRZSA-N -1 3 373.450 0.723 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N(Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000270920781 211298095 /nfs/dbraw/zinc/29/80/95/211298095.db2.gz RQRHGVAVQCXIKO-KBPBESRZSA-N -1 3 357.366 0.940 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCN(c2ccc3ccccc3n2)CC1 ZINC000270700692 211252313 /nfs/dbraw/zinc/25/23/13/211252313.db2.gz JDQRQMQCTMSJAA-AWEZNQCLSA-N -1 3 353.382 0.482 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000270632155 211238388 /nfs/dbraw/zinc/23/83/88/211238388.db2.gz WEAWCCVMETZQOT-HNNXBMFYSA-N -1 3 372.425 0.182 10 0 FCAEHM COc1ccc([C@H](CNC(=O)C[C@@H]2NC(=O)[N-]C2=O)N2CCCCC2)cc1 ZINC000270608138 211233185 /nfs/dbraw/zinc/23/31/85/211233185.db2.gz NOJOGTULEFGTJA-HOTGVXAUSA-N -1 3 374.441 0.937 10 0 FCAEHM CC[C@@H](CO)N1CCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C)c2)CC1 ZINC000270543014 211220179 /nfs/dbraw/zinc/22/01/79/211220179.db2.gz QEDHALDQNJWWIX-ZDUSSCGKSA-N -1 3 373.450 0.263 10 0 FCAEHM COC(=O)Cc1n[n-]c(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccnc2)n1 ZINC000469899240 250012051 /nfs/dbraw/zinc/01/20/51/250012051.db2.gz RLPFTJNHXHHKBD-HZMBPMFUSA-N -1 3 358.358 0.073 10 0 FCAEHM COC(=O)Cc1nnc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccnc2)[n-]1 ZINC000469899240 250012056 /nfs/dbraw/zinc/01/20/56/250012056.db2.gz RLPFTJNHXHHKBD-HZMBPMFUSA-N -1 3 358.358 0.073 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccnc2)n[n-]1 ZINC000469899240 250012058 /nfs/dbraw/zinc/01/20/58/250012058.db2.gz RLPFTJNHXHHKBD-HZMBPMFUSA-N -1 3 358.358 0.073 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)Nc1cncc(Br)c1 ZINC000270268083 211178713 /nfs/dbraw/zinc/17/87/13/211178713.db2.gz RPSJAICJDBJLDY-UHFFFAOYSA-N -1 3 366.237 0.739 10 0 FCAEHM COC(=O)c1csc(S(=O)(=O)[N-][C@]2(C(=O)OC)CCSC2)c1 ZINC000270197235 211165808 /nfs/dbraw/zinc/16/58/08/211165808.db2.gz BLRHQSGJAFEEMM-GFCCVEGCSA-N -1 3 365.454 0.862 10 0 FCAEHM Cn1cc(NS(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc(Cl)c1=O ZINC000471213918 250092466 /nfs/dbraw/zinc/09/24/66/250092466.db2.gz VYXFKBPGFIHBFP-UHFFFAOYSA-N -1 3 367.770 0.723 10 0 FCAEHM CC[C@@H](NC(=O)CN1CC(=O)[N-]C1=O)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000270096909 211153610 /nfs/dbraw/zinc/15/36/10/211153610.db2.gz IEOLURRSHFEJFG-RHSMWYFYSA-N -1 3 370.413 0.623 10 0 FCAEHM CN(C)C(=O)c1ccc([N-]C(=O)c2ccc(S(=O)(=O)N(C)C)o2)nc1 ZINC000471196923 250092796 /nfs/dbraw/zinc/09/27/96/250092796.db2.gz YAHJWSYNTYKNSN-UHFFFAOYSA-N -1 3 366.399 0.879 10 0 FCAEHM CNS(=O)(=O)c1cccc(CNC(=O)NCc2ncccc2[O-])c1 ZINC000471610878 250109551 /nfs/dbraw/zinc/10/95/51/250109551.db2.gz ARULTLKQLVEMEB-UHFFFAOYSA-N -1 3 350.400 0.695 10 0 FCAEHM CCNC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)OC)cs2)C1 ZINC000471869193 250122971 /nfs/dbraw/zinc/12/29/71/250122971.db2.gz JEHQIOPMVVYUCL-SNVBAGLBSA-N -1 3 361.445 0.617 10 0 FCAEHM C[C@@H](CO)[C@@H](C)NC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000269878723 211107228 /nfs/dbraw/zinc/10/72/28/211107228.db2.gz JYLRZQBQJDXWSK-DTWKUNHWSA-N -1 3 369.896 0.996 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)NCCc2cnc(C3CC3)nc2)cn1 ZINC000472630807 250169233 /nfs/dbraw/zinc/16/92/33/250169233.db2.gz PDNJAQQAPFWGGT-UHFFFAOYSA-N -1 3 361.427 0.630 10 0 FCAEHM COc1cc2c(cc1NC(=O)C(=O)NCc1ncccc1[O-])NC(=O)CC2 ZINC000473064218 250196400 /nfs/dbraw/zinc/19/64/00/250196400.db2.gz YYLIVHSICQCTBU-UHFFFAOYSA-N -1 3 370.365 0.935 10 0 FCAEHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@@H](CO)c2ccsc2)cn1 ZINC000480896372 250292176 /nfs/dbraw/zinc/29/21/76/250292176.db2.gz JTUSVGGGYIIFSF-NSHDSACASA-N -1 3 362.454 0.559 10 0 FCAEHM CCCN(C)S(=O)(=O)[N-]c1c(C)nn([C@H]2CCS(=O)(=O)C2)c1C ZINC000481599715 250343738 /nfs/dbraw/zinc/34/37/38/250343738.db2.gz QBCXJNIDDFTDPZ-LBPRGKRZSA-N -1 3 364.493 0.858 10 0 FCAEHM CSc1ccc(N2C[C@H](C(=O)Nc3[n-]nnc3C(N)=O)CC2=O)cc1 ZINC000410858111 532975734 /nfs/dbraw/zinc/97/57/34/532975734.db2.gz KCDVNKOSXRATKO-MRVPVSSYSA-N -1 3 360.399 0.617 10 0 FCAEHM CSc1ccc(N2C[C@H](C(=O)Nc3nn[n-]c3C(N)=O)CC2=O)cc1 ZINC000410858111 532975738 /nfs/dbraw/zinc/97/57/38/532975738.db2.gz KCDVNKOSXRATKO-MRVPVSSYSA-N -1 3 360.399 0.617 10 0 FCAEHM CSc1ccc(N2C[C@H](C(=O)Nc3n[n-]nc3C(N)=O)CC2=O)cc1 ZINC000410858111 532975744 /nfs/dbraw/zinc/97/57/44/532975744.db2.gz KCDVNKOSXRATKO-MRVPVSSYSA-N -1 3 360.399 0.617 10 0 FCAEHM O=C([N-]CCCN1CC[C@H](S(=O)(=O)N2CCCC2)C1)C(F)(F)F ZINC000091594673 208137948 /nfs/dbraw/zinc/13/79/48/208137948.db2.gz ZBZZHUXKHDWSLI-NSHDSACASA-N -1 3 357.398 0.555 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000088637467 208119625 /nfs/dbraw/zinc/11/96/25/208119625.db2.gz YVKWMPWIGJMQEM-UWVGGRQHSA-N -1 3 368.381 0.936 10 0 FCAEHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]CCc2nc(C)no2)s1 ZINC000101575501 208164194 /nfs/dbraw/zinc/16/41/94/208164194.db2.gz HYABZRSINOIRHR-UHFFFAOYSA-N -1 3 358.445 0.639 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCCc1cnn(C)c1 ZINC000102650471 208171845 /nfs/dbraw/zinc/17/18/45/208171845.db2.gz JRGSWRILPUQIKJ-LBPRGKRZSA-N -1 3 368.434 0.975 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)[N-]C2=NCCS2)C1 ZINC000105258423 208197435 /nfs/dbraw/zinc/19/74/35/208197435.db2.gz XLKYRJQRROXXIV-NSHDSACASA-N -1 3 372.472 0.911 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000120622890 208387024 /nfs/dbraw/zinc/38/70/24/208387024.db2.gz GIEBBEQEYZUQPX-RNCFNFMXSA-N -1 3 352.341 0.505 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)CN2CCN(c3ccccn3)CC2)n[n-]1 ZINC000119860298 208370627 /nfs/dbraw/zinc/37/06/27/208370627.db2.gz BTTBUFIIYXTJIP-UHFFFAOYSA-N -1 3 366.429 0.966 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)CN2CCN(c3ccccn3)CC2)[n-]n1 ZINC000119860298 208370631 /nfs/dbraw/zinc/37/06/31/208370631.db2.gz BTTBUFIIYXTJIP-UHFFFAOYSA-N -1 3 366.429 0.966 10 0 FCAEHM Cc1cc(N2CCC[C@H]([N-]S(=O)(=O)N3CCCC[C@@H]3C)C2=O)n(C)n1 ZINC000266376064 210329781 /nfs/dbraw/zinc/32/97/81/210329781.db2.gz WTFNFNAEDYDONN-KBPBESRZSA-N -1 3 369.491 0.933 10 0 FCAEHM O=C(Nc1c[nH]c(=O)[n-]c1=O)c1ccc(I)cc1 ZINC000021026819 220349401 /nfs/dbraw/zinc/34/94/01/220349401.db2.gz WCABLOCANQUWAD-UHFFFAOYSA-N -1 3 357.107 0.920 10 0 FCAEHM CC(=O)Nc1nc2ncc([C@H](OC(C)=O)[C@H](C)OC(C)=O)nc2c(=O)[n-]1 ZINC000022047315 220376148 /nfs/dbraw/zinc/37/61/48/220376148.db2.gz LGFCDAMAYHYAKC-PWCHPLFNSA-N -1 3 363.330 0.227 10 0 in-vitro FCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N(C)[C@@H](C)c1cnn(C)c1 ZINC000180761859 209101440 /nfs/dbraw/zinc/10/14/40/209101440.db2.gz JDVCQMNGMYFSMH-QWRGUYRKSA-N -1 3 369.447 0.911 10 0 FCAEHM C[C@@H]1CCCN(S(=O)(=O)[N-][C@@H]2CCCN(c3ccn(C)n3)C2=O)C1 ZINC000173702766 208939472 /nfs/dbraw/zinc/93/94/72/208939472.db2.gz IXFCQZDAMWKLAC-CHWSQXEVSA-N -1 3 355.464 0.482 10 0 FCAEHM Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000176546515 209006002 /nfs/dbraw/zinc/00/60/02/209006002.db2.gz UROFMULPSZQGBQ-ONGXEEELSA-N -1 3 369.472 0.966 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCc3ncnn3C2)ccc1F ZINC000177476615 209026438 /nfs/dbraw/zinc/02/64/38/209026438.db2.gz PHBKGNKKLFVDGH-JTQLQIEISA-N -1 3 353.379 0.070 10 0 FCAEHM CS(=O)(=O)NC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000409795278 533407471 /nfs/dbraw/zinc/40/74/71/533407471.db2.gz HWAYTHPMVPETGH-RNCFNFMXSA-N -1 3 368.427 0.961 10 0 FCAEHM COC(=O)[C@H]1CSCCN(C(=O)CNC(=O)c2cccc([O-])c2)C1 ZINC000412968273 533501278 /nfs/dbraw/zinc/50/12/78/533501278.db2.gz OXEMMVKHXQRNCF-GFCCVEGCSA-N -1 3 352.412 0.487 10 0 FCAEHM Cc1cc(N2CCC[C@@H]([N-]S(=O)(=O)CC[C@@H]3CCCO3)C2=O)n(C)n1 ZINC000097015032 222150161 /nfs/dbraw/zinc/15/01/61/222150161.db2.gz FEFAXWWICQBILM-UONOGXRCSA-N -1 3 370.475 0.712 10 0 FCAEHM CC(=O)Nc1ccc(N2C(=O)C[C@H](SC[C@H](N)C(=O)[O-])C2=O)cc1 ZINC000101503316 222277140 /nfs/dbraw/zinc/27/71/40/222277140.db2.gz UVPXAAQCACHPNQ-RYUDHWBXSA-N -1 3 351.384 0.422 10 0 FCAEHM Cc1cc(N2CCC[C@@H]([N-]S(=O)(=O)N3CC[C@H](C)C3)C2=O)n(C)n1 ZINC000408133884 230012180 /nfs/dbraw/zinc/01/21/80/230012180.db2.gz RDQUDAANVLBZAE-WCQYABFASA-N -1 3 355.464 0.400 10 0 FCAEHM O=C(Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1)C1(N2CCOCC2)CCC1 ZINC000363669165 488871045 /nfs/dbraw/zinc/87/10/45/488871045.db2.gz CTWBTFJDGHLYHQ-HNNXBMFYSA-N -1 3 372.425 0.631 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)n[n-]1 ZINC000530265368 484078195 /nfs/dbraw/zinc/07/81/95/484078195.db2.gz LAASYFAYIIQNBX-JTQLQIEISA-N -1 3 352.420 0.420 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)[n-]n1 ZINC000530265368 484078202 /nfs/dbraw/zinc/07/82/02/484078202.db2.gz LAASYFAYIIQNBX-JTQLQIEISA-N -1 3 352.420 0.420 10 0 FCAEHM CNC(=O)c1ccc(NCc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)nn1 ZINC000470869196 484192365 /nfs/dbraw/zinc/19/23/65/484192365.db2.gz YOVWGKOXVUGDJI-QGZVFWFLSA-N -1 3 354.370 0.503 10 0 FCAEHM CCCOc1ccc(S(=O)(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000278607187 488884493 /nfs/dbraw/zinc/88/44/93/488884493.db2.gz CKTDWPHUPRHEEM-MRXNPFEDSA-N -1 3 367.427 0.838 10 0 FCAEHM CC(=O)c1ccc(S(=O)(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000278669085 488888257 /nfs/dbraw/zinc/88/82/57/488888257.db2.gz HSMILJGZJZIWKB-HNNXBMFYSA-N -1 3 351.384 0.252 10 0 FCAEHM COc1ccccc1CNC(=O)[C@@H](C)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279047497 488913670 /nfs/dbraw/zinc/91/36/70/488913670.db2.gz JZWBGCGUAOSJFR-KZULUSFZSA-N -1 3 360.414 0.374 10 0 FCAEHM CCOCc1ccccc1CNC(=O)CN1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279071784 488914686 /nfs/dbraw/zinc/91/46/86/488914686.db2.gz MSCJVEXWDUOQGT-LJQANCHMSA-N -1 3 374.441 0.513 10 0 FCAEHM O=C1[N-]C(=O)[C@@]2(CCCN(CCCS(=O)(=O)c3ccccc3)C2)N1 ZINC000279070354 488914809 /nfs/dbraw/zinc/91/48/09/488914809.db2.gz MNCQDUUIYKYQBA-INIZCTEOSA-N -1 3 351.428 0.524 10 0 FCAEHM O=C1[N-]C(=O)[C@@]2(CCCN(Cc3ccc(S(=O)(=O)C(F)F)cc3)C2)N1 ZINC000279137157 488919346 /nfs/dbraw/zinc/91/93/46/488919346.db2.gz WZBYKZFPZHCJQP-HNNXBMFYSA-N -1 3 373.381 0.857 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)NCC2(CO)CC3(CCC3)C2)cn1 ZINC000279165435 488921904 /nfs/dbraw/zinc/92/19/04/488921904.db2.gz QRPWIEMQLSECKU-UHFFFAOYSA-N -1 3 353.444 0.662 10 0 FCAEHM O=C(c1ccc(OCC(F)F)nc1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279378536 488937043 /nfs/dbraw/zinc/93/70/43/488937043.db2.gz FIIFPBUNWUKJGC-OAHLLOKOSA-N -1 3 354.313 0.540 10 0 FCAEHM CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279388880 488938395 /nfs/dbraw/zinc/93/83/95/488938395.db2.gz FYRWAENTTQQDRH-LYOVBCGYSA-N -1 3 368.459 0.135 10 0 FCAEHM COCCCS(=O)(=O)[N-]Cc1nc(-c2ccn3cncc3c2)no1 ZINC000279443469 488942882 /nfs/dbraw/zinc/94/28/82/488942882.db2.gz DDKQKXKRGVCPOZ-UHFFFAOYSA-N -1 3 351.388 0.840 10 0 FCAEHM O=C([C@@H]1CC(=O)Nc2cc(F)ccc21)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279463117 488944177 /nfs/dbraw/zinc/94/41/77/488944177.db2.gz LGNPDBBFBGMBOF-PIGZYNQJSA-N -1 3 360.345 0.452 10 0 FCAEHM Cc1ccc(-n2cc(C(=O)N3CCC[C@]4(C3)NC(=O)[N-]C4=O)nn2)cc1 ZINC000279519969 488949374 /nfs/dbraw/zinc/94/93/74/488949374.db2.gz PJOZWETYHKDAMD-QGZVFWFLSA-N -1 3 354.370 0.390 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000279527529 488950188 /nfs/dbraw/zinc/95/01/88/488950188.db2.gz MQGTUOKDXMJNBD-IINYFYTJSA-N -1 3 357.457 0.154 10 0 FCAEHM O=C(N1CCC[C@@]2(C1)NC(=O)[N-]C2=O)C1(c2ccccc2)CCOCC1 ZINC000279576305 488953305 /nfs/dbraw/zinc/95/33/05/488953305.db2.gz TYBIXYHPSMKXNX-IBGZPJMESA-N -1 3 357.410 0.935 10 0 FCAEHM COCCCOc1cccc(C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000279618174 488957312 /nfs/dbraw/zinc/95/73/12/488957312.db2.gz XCPCTHRTTYGWCI-SFHVURJKSA-N -1 3 361.398 0.916 10 0 FCAEHM Cc1cc(N2CCN(C(=O)c3ccc4n[n-]nc4c3)CC2)n2ncnc2n1 ZINC000024768442 487651362 /nfs/dbraw/zinc/65/13/62/487651362.db2.gz FIZFBCBSAUVGFO-UHFFFAOYSA-N -1 3 363.385 0.666 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCc1ccc(COCC(F)(F)F)cc1 ZINC000042849659 487880346 /nfs/dbraw/zinc/88/03/46/487880346.db2.gz XHEQAWPEKMAAGJ-NSHDSACASA-N -1 3 359.304 0.980 10 0 FCAEHM CN(C)C(=O)CN1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CC1 ZINC000045470372 487940900 /nfs/dbraw/zinc/94/09/00/487940900.db2.gz MHXZYIUMQFXKQK-UHFFFAOYSA-N -1 3 369.425 0.875 10 0 FCAEHM COC(=O)[C@@H](CF)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000288342464 488971632 /nfs/dbraw/zinc/97/16/32/488971632.db2.gz PIXHKUDKMXQWFB-WCBMZHEXSA-N -1 3 350.343 0.120 10 0 FCAEHM COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000058882087 488285951 /nfs/dbraw/zinc/28/59/51/488285951.db2.gz OEHXVWLLBUCHLH-KBPBESRZSA-N -1 3 361.398 0.801 10 0 FCAEHM CC(C)N(C)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000060161832 488288468 /nfs/dbraw/zinc/28/84/68/488288468.db2.gz BCTJQSAUKCGMIV-UHFFFAOYSA-N -1 3 371.459 0.692 10 0 FCAEHM C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000063768570 488308662 /nfs/dbraw/zinc/30/86/62/488308662.db2.gz RTGCSLQMOYSLGM-VXGBXAGGSA-N -1 3 371.434 0.607 10 0 FCAEHM O=C([C@H]1CC(=O)N(C2CCCCC2)C1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000569792248 491192018 /nfs/dbraw/zinc/19/20/18/491192018.db2.gz UTWJRNLLQNIFTI-SGTLLEGYSA-N -1 3 362.430 0.368 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-][C@@H]2CCN(c3ccccc3)C2=O)C[C@H](C)O1 ZINC000068941707 488370137 /nfs/dbraw/zinc/37/01/37/488370137.db2.gz RVZOUBDYADZFQW-VNHYZAJKSA-N -1 3 353.444 0.736 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)NCCCn1ccnn1 ZINC000184996268 488398854 /nfs/dbraw/zinc/39/88/54/488398854.db2.gz AMAFLMAFHQQDDT-UHFFFAOYSA-N -1 3 363.852 0.478 10 0 FCAEHM C[C@@H](Cn1cncn1)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000268399265 488414791 /nfs/dbraw/zinc/41/47/91/488414791.db2.gz PEQLSQNVZCUHDI-VIFPVBQESA-N -1 3 362.408 0.188 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]C[C@H](Cc2ccc(F)cc2)C(N)=O)c1 ZINC000080740536 488437187 /nfs/dbraw/zinc/43/71/87/488437187.db2.gz NERPIRIWAAZVDR-LBPRGKRZSA-N -1 3 354.407 0.665 10 0 FCAEHM CC(=O)N1CCN(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)[C@@H](C)C1 ZINC000268757756 488447501 /nfs/dbraw/zinc/44/75/01/488447501.db2.gz PGKBRVDWIJMMAB-JTQLQIEISA-N -1 3 357.407 0.890 10 0 FCAEHM C[C@@]1(c2cccc(C(=O)NCCCN3CCCC3=O)c2)NC(=O)[N-]C1=O ZINC000269078837 488467122 /nfs/dbraw/zinc/46/71/22/488467122.db2.gz HTRIJPGYSVTPHA-SFHVURJKSA-N -1 3 358.398 0.484 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1ccc2nc(N3CCOCC3)oc2c1 ZINC000269105781 488469878 /nfs/dbraw/zinc/46/98/78/488469878.db2.gz BGRXBTWLEBXVPI-UHFFFAOYSA-N -1 3 359.342 0.155 10 0 FCAEHM CS[C@@H](CO)[C@@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000269175144 488476214 /nfs/dbraw/zinc/47/62/14/488476214.db2.gz SJPKAKYASPVNIQ-SCVCMEIPSA-N -1 3 364.464 0.721 10 0 FCAEHM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000246835625 488476742 /nfs/dbraw/zinc/47/67/42/488476742.db2.gz UDRPFFYWPPEXJO-NEPJUHHUSA-N -1 3 361.446 0.095 10 0 FCAEHM COC(=O)[C@H]1CCCN(C(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)C1 ZINC000269179980 488476903 /nfs/dbraw/zinc/47/69/03/488476903.db2.gz AZXZXSUQIUXSJM-KPZWWZAWSA-N -1 3 359.382 0.766 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)n[n-]1 ZINC000269364604 488495898 /nfs/dbraw/zinc/49/58/98/488495898.db2.gz DWSZTLKFPWIXJO-INIZCTEOSA-N -1 3 357.374 0.469 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)[n-]n1 ZINC000269364604 488495900 /nfs/dbraw/zinc/49/59/00/488495900.db2.gz DWSZTLKFPWIXJO-INIZCTEOSA-N -1 3 357.374 0.469 10 0 FCAEHM COC(=O)CCCCNC(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000269491841 488509178 /nfs/dbraw/zinc/50/91/78/488509178.db2.gz OEGHGEAIWRHAMN-UHFFFAOYSA-N -1 3 363.461 0.669 10 0 FCAEHM CCn1nccc1N1CCC[C@H]([N-]S(=O)(=O)N2CCC[C@H]2C)C1=O ZINC000251841715 488517412 /nfs/dbraw/zinc/51/74/12/488517412.db2.gz NZSXPFLKLATQBY-OLZOCXBDSA-N -1 3 355.464 0.717 10 0 FCAEHM CCc1nc(CNC(=O)C[N-]S(=O)(=O)c2cn(C)c(C)n2)cs1 ZINC000107615204 488517947 /nfs/dbraw/zinc/51/79/47/488517947.db2.gz HHZOUFQRAQEFJA-UHFFFAOYSA-N -1 3 357.461 0.342 10 0 FCAEHM CC(C)CN1CCO[C@@H](CNC(=O)CN2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)C1 ZINC000262182233 488555762 /nfs/dbraw/zinc/55/57/62/488555762.db2.gz QDSZBWVBSSMBKO-TXPKVOOTSA-N -1 3 367.490 0.646 10 0 FCAEHM C[C@H](C(=O)N(C)CC(=O)Nc1ccc(Cc2nnn[n-]2)cc1)n1cccn1 ZINC000120706218 488562972 /nfs/dbraw/zinc/56/29/72/488562972.db2.gz JRRHGOWTUPERGG-GFCCVEGCSA-N -1 3 368.401 0.645 10 0 FCAEHM C[C@H](C(=O)N(C)CC(=O)Nc1ccc(Cc2nn[n-]n2)cc1)n1cccn1 ZINC000120706218 488562974 /nfs/dbraw/zinc/56/29/74/488562974.db2.gz JRRHGOWTUPERGG-GFCCVEGCSA-N -1 3 368.401 0.645 10 0 FCAEHM CC[C@H](C)[C@H](NC(=O)c1cccc([O-])c1)C(=O)NCCN1CCOCC1 ZINC000272724113 488600665 /nfs/dbraw/zinc/60/06/65/488600665.db2.gz ICDZOJIIWGMRPZ-YOEHRIQHSA-N -1 3 363.458 0.985 10 0 FCAEHM CC[C@@](NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F)(C(N)=O)C(C)C ZINC000272918699 488617096 /nfs/dbraw/zinc/61/70/96/488617096.db2.gz SSYYIDNLGXFFLW-ZBEGNZNMSA-N -1 3 373.450 0.899 10 0 FCAEHM O=c1[n-]c(=O)n(CCOCC(F)(F)F)cc1I ZINC000128635585 488625744 /nfs/dbraw/zinc/62/57/44/488625744.db2.gz FOWYHEMZWUPLQP-UHFFFAOYSA-N -1 3 364.061 0.720 10 0 FCAEHM C[C@H](CO[N-]C(=O)CCC[C@]1(C)NC(=O)NC1=O)NC(=O)OC(C)(C)C ZINC000273101207 488631631 /nfs/dbraw/zinc/63/16/31/488631631.db2.gz PPSHBEFJYPWGEU-HWPZZCPQSA-N -1 3 372.422 0.716 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)NCCCN1CCOC1=O ZINC000264045377 488644882 /nfs/dbraw/zinc/64/48/82/488644882.db2.gz OXGZSVRCJVXMIV-UHFFFAOYSA-N -1 3 360.370 0.038 10 0 FCAEHM C[C@H](CCNC(=O)CC[N-]S(=O)(=O)c1cccs1)[S@](C)=O ZINC000134891926 488669671 /nfs/dbraw/zinc/66/96/71/488669671.db2.gz WHFFZUZITAKXIC-CFMSYZGJSA-N -1 3 352.503 0.690 10 0 FCAEHM C[C@@H](CCNC(=O)CC[N-]S(=O)(=O)c1ccccc1F)[S@](C)=O ZINC000134880955 488669743 /nfs/dbraw/zinc/66/97/43/488669743.db2.gz UEJJXEMGQMZSLQ-KPWVOAKYSA-N -1 3 364.464 0.767 10 0 FCAEHM C[C@H](CCNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)[S@@](C)=O ZINC000134967715 488670141 /nfs/dbraw/zinc/67/01/41/488670141.db2.gz YTLYCPMMGOQTPA-SQFXPLBJSA-N -1 3 372.921 0.953 10 0 FCAEHM CCS(=O)(=O)[N-]Cc1nc(-c2cc(N3CCN(C)CC3)ccn2)no1 ZINC000273858166 488673483 /nfs/dbraw/zinc/67/34/83/488673483.db2.gz ORBDNWVAHMUUCY-UHFFFAOYSA-N -1 3 366.447 0.323 10 0 FCAEHM O=C1[C@H]([N-]S(=O)(=O)CCCN2CCOCC2)CCN1c1ccccc1 ZINC000274177761 488688309 /nfs/dbraw/zinc/68/83/09/488688309.db2.gz ARWFJMCXNZMRGK-MRXNPFEDSA-N -1 3 367.471 0.434 10 0 FCAEHM O=C1[C@@H]([N-]S(=O)(=O)CCCN2CCOCC2)CCN1c1ccccc1 ZINC000274177757 488688415 /nfs/dbraw/zinc/68/84/15/488688415.db2.gz ARWFJMCXNZMRGK-INIZCTEOSA-N -1 3 367.471 0.434 10 0 FCAEHM CNC(=O)[C@H]1CCCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000264673702 488696574 /nfs/dbraw/zinc/69/65/74/488696574.db2.gz HIIGSPFKRYURIE-RYUDHWBXSA-N -1 3 371.434 0.477 10 0 FCAEHM C[C@@H](NC(=O)CN1CC(=O)[N-]C1=O)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000264696393 488699958 /nfs/dbraw/zinc/69/99/58/488699958.db2.gz AZMFNKWYPYMOET-GFCCVEGCSA-N -1 3 373.413 0.282 10 0 FCAEHM CC(C)N1C(=S)N=NC1[C@@H]1CCCN(C(=O)CN2CC(=O)[N-]C2=O)C1 ZINC000264723428 488702929 /nfs/dbraw/zinc/70/29/29/488702929.db2.gz DAWLDCBLMGDMKC-SNVBAGLBSA-N -1 3 366.447 0.406 10 0 FCAEHM C[C@H](O)C[C@@H]1COCCN1C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000274391855 488703930 /nfs/dbraw/zinc/70/39/30/488703930.db2.gz SNVAYKHBXJEUCP-RWMBFGLXSA-N -1 3 374.434 0.491 10 0 FCAEHM CC(C)C[C@H](CO)N(C)S(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000274677832 488726953 /nfs/dbraw/zinc/72/69/53/488726953.db2.gz LTAMTTQAIQISLV-SNVBAGLBSA-N -1 3 370.431 0.062 10 0 FCAEHM CCn1nccc1S(=O)(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000274689411 488727734 /nfs/dbraw/zinc/72/77/34/488727734.db2.gz UURGLYVIKHTIKD-UHFFFAOYSA-N -1 3 364.427 0.755 10 0 FCAEHM CC(=O)C[C@@H]1COCCN1C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000274797733 488734412 /nfs/dbraw/zinc/73/44/12/488734412.db2.gz NZIQYBGXGQIXNQ-QWHCGFSZSA-N -1 3 372.418 0.699 10 0 FCAEHM CNC(=O)[C@H](C)CN(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000267243606 488772235 /nfs/dbraw/zinc/77/22/35/488772235.db2.gz SKXUMYZMHXXFQK-MNOVXSKESA-N -1 3 359.423 0.333 10 0 FCAEHM C[C@]1(c2ccc(C(=O)NCCCN3CCOC3=O)cc2)NC(=O)[N-]C1=O ZINC000267353081 488780403 /nfs/dbraw/zinc/78/04/03/488780403.db2.gz VGGLHZKCDGSQKI-QGZVFWFLSA-N -1 3 360.370 0.313 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCC(=O)N(C)C2)cc(F)c1F ZINC000268060058 488837162 /nfs/dbraw/zinc/83/71/62/488837162.db2.gz XZYFDWRXTFEKJN-QMMMGPOBSA-N -1 3 362.354 0.651 10 0 FCAEHM COC(=O)[C@@]1([N-]S(=O)(=O)c2cc(OC)c(OC)cc2F)CCOC1 ZINC000268079354 488838393 /nfs/dbraw/zinc/83/83/93/488838393.db2.gz UYVHPDBCPRQYCO-CQSZACIVSA-N -1 3 363.363 0.453 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000173004544 488839765 /nfs/dbraw/zinc/83/97/65/488839765.db2.gz OAPDYOMKMSQQAX-JTQLQIEISA-N -1 3 358.363 0.552 10 0 FCAEHM C[C@@H]1CC[C@H](C)CN1S(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000173212181 488841740 /nfs/dbraw/zinc/84/17/40/488841740.db2.gz SNUQKMLKFBODBS-VHSXEESVSA-N -1 3 352.416 0.431 10 0 FCAEHM CC(C)Cn1cnc(S(=O)(=O)[N-]Cc2cccnc2-n2cncn2)c1 ZINC000174974322 488852512 /nfs/dbraw/zinc/85/25/12/488852512.db2.gz OAMBHXFGVPWOLA-UHFFFAOYSA-N -1 3 361.431 0.993 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCn3nc(C)nc32)ccc1F ZINC000175692587 488855086 /nfs/dbraw/zinc/85/50/86/488855086.db2.gz APJIJELEESSLJH-GFCCVEGCSA-N -1 3 367.406 0.899 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)N[C@@H]1CCCn2ncnc21 ZINC000175716167 488855214 /nfs/dbraw/zinc/85/52/14/488855214.db2.gz MLCALKGLNBZNCT-SNVBAGLBSA-N -1 3 355.445 0.659 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](n3cncn3)C2)c(C)o1 ZINC000176000456 488856904 /nfs/dbraw/zinc/85/69/04/488856904.db2.gz QWVFQCXZPOTTJJ-LLVKDONJSA-N -1 3 353.404 0.565 10 0 FCAEHM CC[C@@H]1C[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1c(C)n[nH]c1C ZINC000349535089 489310154 /nfs/dbraw/zinc/31/01/54/489310154.db2.gz KBFOSZCYUZQQHD-VXGBXAGGSA-N -1 3 364.493 0.876 10 0 FCAEHM O=C([C@@H]1COCCN1CC1CCC1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000329266343 488987721 /nfs/dbraw/zinc/98/77/21/488987721.db2.gz CSJLJNKMXDSNSP-SUMWQHHRSA-N -1 3 350.419 0.733 10 0 FCAEHM C[C@]1(NC(=O)CN2CC(=O)[N-]C2=O)CCN(C(=O)OCc2ccccc2)C1 ZINC000280257849 488993114 /nfs/dbraw/zinc/99/31/14/488993114.db2.gz PXZXKQZWJDPBSP-SFHVURJKSA-N -1 3 374.397 0.456 10 0 FCAEHM C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000364791091 489002232 /nfs/dbraw/zinc/00/22/32/489002232.db2.gz PWDMOUSMRBOGPD-DINDLPBHSA-N -1 3 368.434 0.736 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000570252430 491227755 /nfs/dbraw/zinc/22/77/55/491227755.db2.gz ZYZJVRHBWGPVNU-KBPBESRZSA-N -1 3 371.459 0.845 10 0 FCAEHM CC1(C)CN(C(=O)C[N-]S(=O)(=O)c2cccs2)C[C@@]2(CCOC2)O1 ZINC000280485380 489012374 /nfs/dbraw/zinc/01/23/74/489012374.db2.gz KDJDUYOAJKSSBE-OAHLLOKOSA-N -1 3 374.484 0.823 10 0 FCAEHM CCNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000365008666 489028810 /nfs/dbraw/zinc/02/88/10/489028810.db2.gz CZWROBZJFKUVNM-HNNXBMFYSA-N -1 3 374.441 0.871 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)NCC2(C)CCC2)ccc1F ZINC000288927829 489029885 /nfs/dbraw/zinc/02/98/85/489029885.db2.gz VKHUNDRGUSSXLV-UHFFFAOYSA-N -1 3 357.407 0.979 10 0 FCAEHM CCOC(=O)[C@@H]1CC[C@H](NC(=O)c2ccc(S(=O)(=O)[N-]C)nc2)C1 ZINC000280797834 489031963 /nfs/dbraw/zinc/03/19/63/489031963.db2.gz RYQCTXVJYSBYAG-PWSUYJOCSA-N -1 3 355.416 0.451 10 0 FCAEHM CN(C)C(=O)COc1ccccc1CN1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000365124335 489040551 /nfs/dbraw/zinc/04/05/51/489040551.db2.gz OFLVVIYUZLYVDY-SFHVURJKSA-N -1 3 360.414 0.328 10 0 FCAEHM O=C(CN1CCC(c2nc(=O)[n-][nH]2)CC1)NCc1ccc2c(c1)OCO2 ZINC000280939656 489042385 /nfs/dbraw/zinc/04/23/85/489042385.db2.gz HTXMATCPFXQPOV-UHFFFAOYSA-N -1 3 359.386 0.323 10 0 FCAEHM O=C(CN1CCC(c2nc(=O)[n-][nH]2)CC1)N1CC(=O)Nc2ccccc21 ZINC000289167314 489046103 /nfs/dbraw/zinc/04/61/03/489046103.db2.gz FAXIOSMVELOVLG-UHFFFAOYSA-N -1 3 356.386 0.263 10 0 FCAEHM COc1ccc(NC(=O)NC(=O)CN2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)cc1 ZINC000289466403 489068948 /nfs/dbraw/zinc/06/89/48/489068948.db2.gz QOEMRMNHWFZATF-LLVKDONJSA-N -1 3 374.401 0.634 10 0 FCAEHM C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000289508870 489072734 /nfs/dbraw/zinc/07/27/34/489072734.db2.gz UYBPSOVLTJKZQS-ZYHUDNBSSA-N -1 3 358.402 0.404 10 0 FCAEHM O=C(CN1CCC[C@@H](c2nc(=O)[n-][nH]2)C1)NC(=O)NCc1cccs1 ZINC000289561105 489077716 /nfs/dbraw/zinc/07/77/16/489077716.db2.gz XWJUCYFGPJENPN-SNVBAGLBSA-N -1 3 364.431 0.365 10 0 FCAEHM COC(C)(C)CS(=O)(=O)[N-][C@H]1CCCN(Cc2ccccn2)C1=O ZINC000289683103 489086071 /nfs/dbraw/zinc/08/60/71/489086071.db2.gz CPXKINRSEBARMS-AWEZNQCLSA-N -1 3 355.460 0.917 10 0 FCAEHM Cc1nn(C)c(C)c1[C@H]1[C@H]([N-]S(=O)(=O)C[C@H]2CCOC2)CC(=O)N1C ZINC000330295379 489088733 /nfs/dbraw/zinc/08/87/33/489088733.db2.gz JGQWBALHYKSVEU-WOSRLPQWSA-N -1 3 370.475 0.265 10 0 FCAEHM COc1cccc(CS(=O)(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000365572282 489089260 /nfs/dbraw/zinc/08/92/60/489089260.db2.gz GFWCOPFPCWBCTL-HNNXBMFYSA-N -1 3 353.400 0.199 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)[C@H]2CSCN2C(C)=O)s1 ZINC000330424691 489100450 /nfs/dbraw/zinc/10/04/50/489100450.db2.gz IRHSSAMVGXGSLK-SNVBAGLBSA-N -1 3 363.486 0.194 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C(C)(C)[C@@H](O)C(=O)OC ZINC000289978434 489106673 /nfs/dbraw/zinc/10/66/73/489106673.db2.gz UYTSFMMIBOUPMY-NSHDSACASA-N -1 3 363.388 0.274 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)nc1=N ZINC000563266933 491234339 /nfs/dbraw/zinc/23/43/39/491234339.db2.gz CCVBZDCRVSEFJA-FEUHOPSXSA-N -1 3 350.448 0.345 10 0 FCAEHM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)no1 ZINC000330644283 489126945 /nfs/dbraw/zinc/12/69/45/489126945.db2.gz KGRIVOZNODQXLQ-UHFFFAOYSA-N -1 3 355.420 0.632 10 0 FCAEHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)[C@@H]1OC[C@H]2COCC[C@H]21 ZINC000366016685 489135168 /nfs/dbraw/zinc/13/51/68/489135168.db2.gz IUNJDBHSBSGAIR-JRKPZEMJSA-N -1 3 352.343 0.578 10 0 FCAEHM C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000366080802 489142345 /nfs/dbraw/zinc/14/23/45/489142345.db2.gz AZGGTMLBGYZGTF-PIGZYNQJSA-N -1 3 368.434 0.690 10 0 FCAEHM O=C(c1ccnc(OCC(F)F)c1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000366089175 489143813 /nfs/dbraw/zinc/14/38/13/489143813.db2.gz WASXAZLEOQVCJM-OAHLLOKOSA-N -1 3 354.313 0.540 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-]C[C@@](C)(O)C(=O)OC(C)(C)C)C[C@H](C)O1 ZINC000330919689 489157688 /nfs/dbraw/zinc/15/76/88/489157688.db2.gz OMPKAPCVYVOUQT-UHIISALHSA-N -1 3 352.453 0.023 10 0 FCAEHM O=C(c1cnnn1-c1cccc(F)c1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000570360121 491236237 /nfs/dbraw/zinc/23/62/37/491236237.db2.gz RZJISKOQAKEHSY-MRXNPFEDSA-N -1 3 358.333 0.221 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000282421449 489161944 /nfs/dbraw/zinc/16/19/44/489161944.db2.gz QIFNNHBDOZKLPU-JTQLQIEISA-N -1 3 367.427 0.861 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C[C@@H](O)c1cnn(C)c1 ZINC000290833539 489168463 /nfs/dbraw/zinc/16/84/63/489168463.db2.gz UUHGTDHVJXKOMP-LLVKDONJSA-N -1 3 357.388 0.428 10 0 FCAEHM COC(=O)[C@]12CN(C(=O)CCc3c(C)nc(C)[n-]c3=O)C[C@H]1COCC2 ZINC000366468189 489185661 /nfs/dbraw/zinc/18/56/61/489185661.db2.gz SNNVXMYNHARPGU-SCLBCKFNSA-N -1 3 363.414 0.770 10 0 FCAEHM C[C@](O)(CO)CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000555092639 491238879 /nfs/dbraw/zinc/23/88/79/491238879.db2.gz OFTODEHAUMLSHK-OAHLLOKOSA-N -1 3 371.390 0.428 10 0 FCAEHM CN1C[C@H](NC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])CCC1=O ZINC000283059447 489210978 /nfs/dbraw/zinc/21/09/78/489210978.db2.gz MORAVIDSWOMVOE-LLVKDONJSA-N -1 3 360.345 0.225 10 0 FCAEHM CN1C[C@H](NC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)CCC1=O ZINC000283059447 489210979 /nfs/dbraw/zinc/21/09/79/489210979.db2.gz MORAVIDSWOMVOE-LLVKDONJSA-N -1 3 360.345 0.225 10 0 FCAEHM CNC(=O)Cn1ccc2ccc([N-]S(=O)(=O)CCC(=O)OC)cc21 ZINC000555124326 491240052 /nfs/dbraw/zinc/24/00/52/491240052.db2.gz XMLAYZBVTOQSMB-UHFFFAOYSA-N -1 3 353.400 0.692 10 0 FCAEHM C[C@]12CCC(=O)N1[C@H](C(=O)Nc1[n-]nnc1C(=O)NC1CC1)CS2 ZINC000297795630 489241786 /nfs/dbraw/zinc/24/17/86/489241786.db2.gz RVGOUUPKNVRUMV-RTHLEPHNSA-N -1 3 350.404 0.089 10 0 FCAEHM C[C@]12CCC(=O)N1[C@H](C(=O)Nc1nn[n-]c1C(=O)NC1CC1)CS2 ZINC000297795630 489241787 /nfs/dbraw/zinc/24/17/87/489241787.db2.gz RVGOUUPKNVRUMV-RTHLEPHNSA-N -1 3 350.404 0.089 10 0 FCAEHM C[C@]12CCC(=O)N1[C@H](C(=O)Nc1n[n-]nc1C(=O)NC1CC1)CS2 ZINC000297795630 489241789 /nfs/dbraw/zinc/24/17/89/489241789.db2.gz RVGOUUPKNVRUMV-RTHLEPHNSA-N -1 3 350.404 0.089 10 0 FCAEHM Cc1ccc(C(=O)Nc2[n-]nnc2C(=O)NC2CC2)cc1S(C)(=O)=O ZINC000297800095 489243115 /nfs/dbraw/zinc/24/31/15/489243115.db2.gz SDRDIBXWPREQGN-UHFFFAOYSA-N -1 3 363.399 0.661 10 0 FCAEHM Cc1ccc(C(=O)Nc2nn[n-]c2C(=O)NC2CC2)cc1S(C)(=O)=O ZINC000297800095 489243117 /nfs/dbraw/zinc/24/31/17/489243117.db2.gz SDRDIBXWPREQGN-UHFFFAOYSA-N -1 3 363.399 0.661 10 0 FCAEHM Cc1ccc(C(=O)Nc2n[n-]nc2C(=O)NC2CC2)cc1S(C)(=O)=O ZINC000297800095 489243120 /nfs/dbraw/zinc/24/31/20/489243120.db2.gz SDRDIBXWPREQGN-UHFFFAOYSA-N -1 3 363.399 0.661 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC000369767602 489272685 /nfs/dbraw/zinc/27/26/85/489272685.db2.gz TZYSMGZUKPAXMI-OCCSQVGLSA-N -1 3 359.382 0.660 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N(C)CC(=O)NC1CC1 ZINC000298100029 489290494 /nfs/dbraw/zinc/29/04/94/489290494.db2.gz XTEIAEOFKLZYGQ-JTQLQIEISA-N -1 3 357.407 0.230 10 0 FCAEHM O=S(=O)(CCCS(=O)(=O)N1CCCO1)[N-]c1ncccc1F ZINC000349469170 489292471 /nfs/dbraw/zinc/29/24/71/489292471.db2.gz QMOUJLMSQNBEHY-UHFFFAOYSA-N -1 3 353.397 0.320 10 0 FCAEHM O=c1[n-]c(=O)n(C[C@H]2CCNC(=O)CC2)cc1I ZINC000563439925 491246788 /nfs/dbraw/zinc/24/67/88/491246788.db2.gz PEKDICCNKQJHTB-SSDOTTSWSA-N -1 3 363.155 0.470 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NCc1ccc2cncn2c1 ZINC000298202090 489303505 /nfs/dbraw/zinc/30/35/05/489303505.db2.gz GAYYOBWGOIMVFK-UHFFFAOYSA-N -1 3 363.399 0.534 10 0 FCAEHM CCC1(NS(=O)(=O)CCCS(=O)(=O)[N-]c2ccnnc2)CCC1 ZINC000349585355 489321880 /nfs/dbraw/zinc/32/18/80/489321880.db2.gz ZJJWGONMNMWHKQ-UHFFFAOYSA-N -1 3 362.477 0.861 10 0 FCAEHM C[C@H](Cn1ccnc1)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000298428015 489325717 /nfs/dbraw/zinc/32/57/17/489325717.db2.gz DAYXQKHXANCHHR-NEPJUHHUSA-N -1 3 354.407 0.894 10 0 FCAEHM CCN1C[C@H](c2noc(-c3cc(S(=O)(=O)[N-]C)oc3C)n2)CC1=O ZINC000351387911 489355781 /nfs/dbraw/zinc/35/57/81/489355781.db2.gz KCSCNASQVWNSLH-SECBINFHSA-N -1 3 354.388 0.882 10 0 FCAEHM COC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)CN1CC(=O)[N-]C1=O ZINC000361805260 489366615 /nfs/dbraw/zinc/36/66/15/489366615.db2.gz YPTRLXAYZDPYPR-OLZOCXBDSA-N -1 3 351.403 0.509 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC000362222396 489378867 /nfs/dbraw/zinc/37/88/67/489378867.db2.gz RFEYINDJZYGOHZ-WDEREUQCSA-N -1 3 371.390 0.156 10 0 FCAEHM O=C(CN1CCN(C(=O)c2ccc([O-])cc2)CC1)N1CCOC[C@@H]1C1CC1 ZINC000362669136 489391083 /nfs/dbraw/zinc/39/10/83/489391083.db2.gz DWHRKTCYNKIQCS-GOSISDBHSA-N -1 3 373.453 0.787 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NC[C@@H](NCc1ccccc1)c1ccco1 ZINC000286522606 489400457 /nfs/dbraw/zinc/40/04/57/489400457.db2.gz SIPMXAOZXMKZPZ-UONOGXRCSA-N -1 3 356.382 0.825 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCO[C@@]2(CCCOC2)C1 ZINC000286539264 489402232 /nfs/dbraw/zinc/40/22/32/489402232.db2.gz YQLOIEVSEMCFQW-DOMZBBRYSA-N -1 3 374.484 0.823 10 0 FCAEHM CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)CC[C@@H]2NC(=O)[N-]C2=O)C1 ZINC000299169378 489413050 /nfs/dbraw/zinc/41/30/50/489413050.db2.gz VGLGVSDSIJPESP-QWRGUYRKSA-N -1 3 354.407 0.490 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC(C3CCOCC3)CC2)c1 ZINC000370930568 489429733 /nfs/dbraw/zinc/42/97/33/489429733.db2.gz CYCKUYOQXZVNHI-UHFFFAOYSA-N -1 3 370.475 0.364 10 0 FCAEHM CC(C)(C)SCC(=O)NCC(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC000299449478 489443090 /nfs/dbraw/zinc/44/30/90/489443090.db2.gz HXKJJVVISPHTOT-UHFFFAOYSA-N -1 3 364.427 0.803 10 0 FCAEHM CC(C)(C)SCC(=O)NCC(=O)Nc1cccc2c(=O)[n-][nH]c(=O)c12 ZINC000299449478 489443093 /nfs/dbraw/zinc/44/30/93/489443093.db2.gz HXKJJVVISPHTOT-UHFFFAOYSA-N -1 3 364.427 0.803 10 0 FCAEHM C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000287072718 489458007 /nfs/dbraw/zinc/45/80/07/489458007.db2.gz MWWZAFDSCGBGMY-QLJPJBMISA-N -1 3 354.407 0.348 10 0 FCAEHM C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000287072693 489458105 /nfs/dbraw/zinc/45/81/05/489458105.db2.gz MWWZAFDSCGBGMY-HWPZZCPQSA-N -1 3 354.407 0.348 10 0 FCAEHM CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)CN2CC(=O)[N-]C2=O)CC1 ZINC000363521073 489474961 /nfs/dbraw/zinc/47/49/61/489474961.db2.gz AGIFUUMETJEVHW-OAHLLOKOSA-N -1 3 364.446 0.568 10 0 FCAEHM C[C@@H](NC(=O)CCc1ccccc1)C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000570663288 491256047 /nfs/dbraw/zinc/25/60/47/491256047.db2.gz WXPKZVFSJFOFNJ-YJYMSZOUSA-N -1 3 372.425 0.325 10 0 FCAEHM CN1CCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)c2ccc(Br)cc21 ZINC000287309833 489476868 /nfs/dbraw/zinc/47/68/68/489476868.db2.gz LUFAPAHQCUHBJY-VIFPVBQESA-N -1 3 367.203 0.830 10 0 FCAEHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)C2(N3CCOCC3)CCC2)CC1 ZINC000371694194 489498623 /nfs/dbraw/zinc/49/86/23/489498623.db2.gz AWZDVBUGVVTGHM-UHFFFAOYSA-N -1 3 373.453 0.932 10 0 FCAEHM COC[C@](C)(O)CC[N-]S(=O)(=O)c1cc(OC)c(OC)cc1F ZINC000451650706 489514194 /nfs/dbraw/zinc/51/41/94/489514194.db2.gz CUZSUSQVUAVEAJ-CQSZACIVSA-N -1 3 351.396 0.909 10 0 FCAEHM Cc1cc(F)cc2c(=O)c(C(=O)N3CC[C@@H](NS(C)(=O)=O)C3)c[n-]c12 ZINC000426343382 489563812 /nfs/dbraw/zinc/56/38/12/489563812.db2.gz DFUVCEDQRNQSMT-LLVKDONJSA-N -1 3 367.402 0.739 10 0 FCAEHM CC1(C)CN(C2(CNC(=O)C[C@@H]3NC(=O)[N-]C3=O)CCCCC2)CCO1 ZINC000372358684 489575505 /nfs/dbraw/zinc/57/55/05/489575505.db2.gz SMNXOEYUYIAQGV-ZDUSSCGKSA-N -1 3 366.462 0.514 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)[C@@H](C)CN1CCO ZINC000416302557 489581011 /nfs/dbraw/zinc/58/10/11/489581011.db2.gz WVBBKLIONNNYGR-OLZOCXBDSA-N -1 3 355.460 0.585 10 0 FCAEHM C[C@H]1CCCc2nc(S(=O)(=O)[N-]C[C@@H](O)CN3CCCCC3)cn21 ZINC000416405237 489590356 /nfs/dbraw/zinc/59/03/56/489590356.db2.gz SNQLAZVOGSDHBG-UONOGXRCSA-N -1 3 356.492 0.906 10 0 FCAEHM Cc1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)CC2 ZINC000372562856 489599844 /nfs/dbraw/zinc/59/98/44/489599844.db2.gz VPSMAGUXZCYVHN-LLVKDONJSA-N -1 3 370.456 0.283 10 0 FCAEHM O=c1[nH]c2cc(F)c(S(=O)(=O)[N-]C[C@H]3CCCCN3CCO)cc2o1 ZINC000416485501 489599885 /nfs/dbraw/zinc/59/98/85/489599885.db2.gz BIAHXCXRSMDZFO-SNVBAGLBSA-N -1 3 373.406 0.385 10 0 FCAEHM O=c1[nH]c2cc(F)c(S(=O)(=O)[N-]C[C@@H]3CCCCN3CCO)cc2o1 ZINC000416485500 489600030 /nfs/dbraw/zinc/60/00/30/489600030.db2.gz BIAHXCXRSMDZFO-JTQLQIEISA-N -1 3 373.406 0.385 10 0 FCAEHM Cn1nccc1[C@H](CO)[N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000416547534 489608465 /nfs/dbraw/zinc/60/84/65/489608465.db2.gz LYMZAJCVEXHQDF-HNNXBMFYSA-N -1 3 361.427 0.677 10 0 FCAEHM COc1cc(C(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)ccc1[O-] ZINC000427624279 489616073 /nfs/dbraw/zinc/61/60/73/489616073.db2.gz SDJUDNNASQBVDE-UHFFFAOYSA-N -1 3 357.432 0.355 10 0 FCAEHM COC(=O)[C@H](NC(=O)CNC(=O)c1cccc([O-])c1)c1cccc(O)c1 ZINC000427658251 489617088 /nfs/dbraw/zinc/61/70/88/489617088.db2.gz WTKIBUAALWCVEN-MRXNPFEDSA-N -1 3 358.350 0.858 10 0 FCAEHM C[C@@H](O)CN(CC(F)F)C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000456639277 489621575 /nfs/dbraw/zinc/62/15/75/489621575.db2.gz VJTPNYOHBMXNTH-ZJUUUORDSA-N -1 3 368.377 0.967 10 0 FCAEHM COc1cc(Br)ccc1CNC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000427945352 489630630 /nfs/dbraw/zinc/63/06/30/489630630.db2.gz JQZYXISYROYNPO-VIFPVBQESA-N -1 3 356.176 0.672 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CC[C@H](C)C[C@H]1C(N)=O ZINC000428128259 489639134 /nfs/dbraw/zinc/63/91/34/489639134.db2.gz AUFFPHOTUGVZMT-GVXVVHGQSA-N -1 3 371.434 0.605 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000428147243 489639502 /nfs/dbraw/zinc/63/95/02/489639502.db2.gz RWLFNVZPJUMKDC-STQMWFEESA-N -1 3 373.450 0.018 10 0 FCAEHM C[C@@H]1C[C@@H](S(=O)(=O)[N-]C[C@@H](N2CCOCC2)C(F)(F)F)CCO1 ZINC000428189617 489641462 /nfs/dbraw/zinc/64/14/62/489641462.db2.gz PCXJZAFHAFTPDZ-GRYCIOLGSA-N -1 3 360.398 0.736 10 0 FCAEHM CNS(=O)(=O)c1ccc(O)c([N-]S(=O)(=O)N2CCC[C@H](C)C2)c1 ZINC000563790937 491269103 /nfs/dbraw/zinc/26/91/03/491269103.db2.gz OQWBHAXUDKAYQP-JTQLQIEISA-N -1 3 363.461 0.689 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCC[C@@](O)(CO)C1 ZINC000457913222 489663189 /nfs/dbraw/zinc/66/31/89/489663189.db2.gz KPOUUOZANDRAGU-LBPRGKRZSA-N -1 3 368.864 0.026 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-]CC(=O)NCc2ccco2)CCCCC1 ZINC000489065220 489693159 /nfs/dbraw/zinc/69/31/59/489693159.db2.gz COLIGVNDLQDQSC-UHFFFAOYSA-N -1 3 372.443 0.939 10 0 FCAEHM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000469269907 489699140 /nfs/dbraw/zinc/69/91/40/489699140.db2.gz ZAFUWDWLEFTZJI-CQSZACIVSA-N -1 3 365.405 0.707 10 0 FCAEHM Cn1cc(C[C@@H](O)C(=O)Nc2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)cn1 ZINC000469346775 489703362 /nfs/dbraw/zinc/70/33/62/489703362.db2.gz ZORWLNPREWVQJG-CXAGYDPISA-N -1 3 357.370 0.017 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(OCCO)c(C)c2)cn1 ZINC000474230812 489748286 /nfs/dbraw/zinc/74/82/86/489748286.db2.gz LARVNKOBCUGJFY-UHFFFAOYSA-N -1 3 365.411 0.922 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(CCOC)nn2C)cn1 ZINC000474256109 489749442 /nfs/dbraw/zinc/74/94/42/489749442.db2.gz CGLPDZNXVHOJBP-UHFFFAOYSA-N -1 3 353.404 0.164 10 0 FCAEHM NC(=O)[C@@H]1CCC[C@@H](NC(=O)C[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000570979610 491278185 /nfs/dbraw/zinc/27/81/85/491278185.db2.gz DTWVIDWOTRVBET-GHMZBOCLSA-N -1 3 357.407 0.264 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@H](C)NC(=O)c2cc3c(C)nn(C)c3s2)n1 ZINC000490736940 489782679 /nfs/dbraw/zinc/78/26/79/489782679.db2.gz VOKZPJIQPINYPN-ZETCQYMHSA-N -1 3 363.403 0.827 10 0 FCAEHM CCN1CCN(CCNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000376852681 489806065 /nfs/dbraw/zinc/80/60/65/489806065.db2.gz VWWDOTYOIAZIGP-KRWDZBQOSA-N -1 3 374.485 0.751 10 0 FCAEHM CCOC(=O)C[C@H]1C[C@H](OC)CN1C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000571017404 491280367 /nfs/dbraw/zinc/28/03/67/491280367.db2.gz SIGZTKFPSLSKOT-HIFRSBDPSA-N -1 3 364.398 0.691 10 0 FCAEHM COC(=O)CNC(=O)Cc1ccc(NC(=O)c2c[n-]c(C(=O)OC)c2)cc1 ZINC000431997902 489825863 /nfs/dbraw/zinc/82/58/63/489825863.db2.gz CFTAKYGJGYBQRS-UHFFFAOYSA-N -1 3 373.365 0.885 10 0 FCAEHM CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000377043319 489842338 /nfs/dbraw/zinc/84/23/38/489842338.db2.gz XEJHZHGIJJUGFH-GTNSWQLSSA-N -1 3 366.418 0.587 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)Nc2nccc(N(C)C)n2)s1 ZINC000432444150 489842790 /nfs/dbraw/zinc/84/27/90/489842790.db2.gz NPYOZWJYWSFMLA-UHFFFAOYSA-N -1 3 370.460 0.834 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CC[C@H](CC(N)=O)C1 ZINC000377051153 489843750 /nfs/dbraw/zinc/84/37/50/489843750.db2.gz MRWONDDXHKZSLA-SNVBAGLBSA-N -1 3 367.427 0.896 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)NCC1(CCO)CCC1 ZINC000432707783 489852434 /nfs/dbraw/zinc/85/24/34/489852434.db2.gz XHNJGJDTJVNGCW-UHFFFAOYSA-N -1 3 357.410 0.927 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)NC[C@]1(CCO)CCOC1 ZINC000475828456 489852878 /nfs/dbraw/zinc/85/28/78/489852878.db2.gz QIGVLAIHJUVVRY-INIZCTEOSA-N -1 3 374.434 0.399 10 0 FCAEHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCOCC2(CC2)C1 ZINC000493883163 489860421 /nfs/dbraw/zinc/86/04/21/489860421.db2.gz MHFXMBSBVRZXMM-UHFFFAOYSA-N -1 3 374.484 0.786 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)NCCC[C@@H]2CCCC[C@@H]2O)cn1C ZINC000433273257 489875060 /nfs/dbraw/zinc/87/50/60/489875060.db2.gz RJZVOPHNNIKSDS-KBPBESRZSA-N -1 3 372.491 0.454 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NC[C@]1(CCO)CCOC1 ZINC000476310580 489879724 /nfs/dbraw/zinc/87/97/24/489879724.db2.gz OHBUGACQQXTANU-FZMZJTMJSA-N -1 3 362.473 0.320 10 0 FCAEHM COCCn1cc(C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)c(C)n1 ZINC000461614628 489922159 /nfs/dbraw/zinc/92/21/59/489922159.db2.gz BGIRIGXOGNDWSS-UHFFFAOYSA-N -1 3 359.386 0.986 10 0 FCAEHM Cn1cc(-c2n[nH]cc2C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)cn1 ZINC000461613841 489922246 /nfs/dbraw/zinc/92/22/46/489922246.db2.gz NKNMTZXDUSSVOS-UHFFFAOYSA-N -1 3 367.369 0.959 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)NC[C@@H](CO)C1CC1 ZINC000461630595 489923985 /nfs/dbraw/zinc/92/39/85/489923985.db2.gz YRMYMTFQILNPPO-VIFPVBQESA-N -1 3 352.865 0.815 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)CNC(=O)c3ccccn3)cc2n(C)c1=O ZINC000461634211 489925021 /nfs/dbraw/zinc/92/50/21/489925021.db2.gz XVXIFVBDVGWYJG-UHFFFAOYSA-N -1 3 355.354 0.346 10 0 FCAEHM COC(=O)[C@@H](C[C@@H]1CCCc2ccccc21)NC(=O)CN1CC(=O)[N-]C1=O ZINC000461751430 489933219 /nfs/dbraw/zinc/93/32/19/489933219.db2.gz ZAZMLGSNPIRYBQ-DZGCQCFKSA-N -1 3 373.409 0.706 10 0 FCAEHM Cc1ccccc1CC(=O)N1CCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2N)CC1 ZINC000461981128 489948368 /nfs/dbraw/zinc/94/83/68/489948368.db2.gz DDGRLYNAFTUTHF-UHFFFAOYSA-N -1 3 371.397 0.306 10 0 FCAEHM CN(C)S(=O)(=O)N1CCCN(Cc2nc3ccsc3c(=O)[n-]2)CC1 ZINC000377779550 489957629 /nfs/dbraw/zinc/95/76/29/489957629.db2.gz YSJLPLKQMAGYHH-UHFFFAOYSA-N -1 3 371.488 0.711 10 0 FCAEHM CNC(=O)c1cccc(NC(=O)[C@H](C)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000434799982 489957896 /nfs/dbraw/zinc/95/78/96/489957896.db2.gz YKCBWJUIRSCINA-BBATYDOGSA-N -1 3 373.413 0.047 10 0 FCAEHM CCn1c(NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)nc2cccnc21 ZINC000477386250 489961187 /nfs/dbraw/zinc/96/11/87/489961187.db2.gz ZXZLOEPOYXHGCL-UHFFFAOYSA-N -1 3 363.403 0.102 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000377857764 489969097 /nfs/dbraw/zinc/96/90/97/489969097.db2.gz UOUJNNZHIGJUQG-AXTRIDKLSA-N -1 3 370.427 0.971 10 0 FCAEHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)CCCS(C)(=O)=O)o1 ZINC000462324690 489969108 /nfs/dbraw/zinc/96/91/08/489969108.db2.gz DEKIYHXMNADHGC-LBPRGKRZSA-N -1 3 353.462 0.884 10 0 FCAEHM CNC(=O)[C@@H]([N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC)C(C)C ZINC000434968646 489971004 /nfs/dbraw/zinc/97/10/04/489971004.db2.gz UUUXOLURXFXGRF-JTQLQIEISA-N -1 3 364.445 0.592 10 0 FCAEHM CCOC(=O)c1sc([C@@H](C)[N-]S(=O)(=O)c2cnnn2C)nc1C ZINC000477563767 489972984 /nfs/dbraw/zinc/97/29/84/489972984.db2.gz ZNGPIBHTQSCMJS-MRVPVSSYSA-N -1 3 359.433 0.796 10 0 FCAEHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N3CC(=O)N(C)C3)c2)n1 ZINC000462935316 489997036 /nfs/dbraw/zinc/99/70/36/489997036.db2.gz NBSGCFFBWQTREG-UHFFFAOYSA-N -1 3 369.381 0.608 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCCC[C@H]1CC(N)=O ZINC000477940011 489998142 /nfs/dbraw/zinc/99/81/42/489998142.db2.gz SQTMWAUKKZXMBA-RYUDHWBXSA-N -1 3 371.434 0.749 10 0 FCAEHM COc1ccc(S(=O)(=O)[N-]Cc2ccc(S(N)(=O)=O)cc2)c(F)c1 ZINC000478167280 490008080 /nfs/dbraw/zinc/00/80/80/490008080.db2.gz IUIRICXTMAUDTH-UHFFFAOYSA-N -1 3 374.415 0.960 10 0 FCAEHM CN(C)C(=O)NCCN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436822131 490013504 /nfs/dbraw/zinc/01/35/04/490013504.db2.gz RWINSNFDAYTMCP-AWEZNQCLSA-N -1 3 362.430 0.726 10 0 FCAEHM CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000436822602 490013802 /nfs/dbraw/zinc/01/38/02/490013802.db2.gz PVBNBKJRTGTNTL-UWVGGRQHSA-N -1 3 368.386 0.596 10 0 FCAEHM CCOC(=O)[C@@](C)(O)CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436820413 490013988 /nfs/dbraw/zinc/01/39/88/490013988.db2.gz LMKQLDOHUPHVGQ-ACJLOTCBSA-N -1 3 364.398 0.427 10 0 FCAEHM Cn1cc(C[C@@H](O)C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cn1 ZINC000436832554 490014124 /nfs/dbraw/zinc/01/41/24/490014124.db2.gz SDQOMLSEFSAWNT-MRXNPFEDSA-N -1 3 358.398 0.014 10 0 FCAEHM COC(=O)Cc1ccc(S(=O)(=O)[N-][C@@H](CF)C(=O)OC)cc1F ZINC000420739283 490016439 /nfs/dbraw/zinc/01/64/39/490016439.db2.gz YILWAJPDTNQHDM-NSHDSACASA-N -1 3 351.327 0.331 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@H]1CCc2nnnn2CC1 ZINC000420745957 490017016 /nfs/dbraw/zinc/01/70/16/490017016.db2.gz DZWYWTIRMOBEAP-JTQLQIEISA-N -1 3 369.403 0.353 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)c2ccc3c(c2)C(=O)N(C)C3=O)nc1=N ZINC000571229195 491294410 /nfs/dbraw/zinc/29/44/10/491294410.db2.gz XOBLBXZVQASIMU-LBPRGKRZSA-N -1 3 354.370 0.431 10 0 FCAEHM COC(=O)[C@H](C)CS(=O)(=O)[N-]Cc1ncn(Cc2cccc(F)c2)n1 ZINC000444277149 490081321 /nfs/dbraw/zinc/08/13/21/490081321.db2.gz KLXFLAGPIZKIEJ-LLVKDONJSA-N -1 3 370.406 0.694 10 0 FCAEHM COCCCOC1CN(C(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)C1 ZINC000479377822 490086320 /nfs/dbraw/zinc/08/63/20/490086320.db2.gz CJFPRBUXVDNBJG-LLVKDONJSA-N -1 3 362.473 0.679 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-][C@H](C)Cn2ncc3ccccc3c2=O)c1 ZINC000479525610 490100807 /nfs/dbraw/zinc/10/08/07/490100807.db2.gz ICEDCLUXYUQHMU-GFCCVEGCSA-N -1 3 361.427 0.980 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc(C(N)=O)nc1 ZINC000479712366 490117927 /nfs/dbraw/zinc/11/79/27/490117927.db2.gz KIKYRAMHKWGVPK-QMMMGPOBSA-N -1 3 354.413 0.548 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(N)=O)C2)cc1F ZINC000445048213 490122861 /nfs/dbraw/zinc/12/28/61/490122861.db2.gz LFPNPSSZQWBRDK-VHSXEESVSA-N -1 3 358.391 0.935 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2cc(C(N)=O)co2)cc1F ZINC000445055237 490123369 /nfs/dbraw/zinc/12/33/69/490123369.db2.gz BZTCBHQAGPOCDG-UHFFFAOYSA-N -1 3 356.331 0.783 10 0 FCAEHM CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000506685561 490125201 /nfs/dbraw/zinc/12/52/01/490125201.db2.gz FKKVYHPOPCAAHH-YPMHNXCESA-N -1 3 363.439 0.976 10 0 FCAEHM COc1cc(C(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)cc(OC)c1[O-] ZINC000506688755 490126893 /nfs/dbraw/zinc/12/68/93/490126893.db2.gz OQOHXWYLBPJVJK-CMPLNLGQSA-N -1 3 372.443 0.857 10 0 FCAEHM C[C@@H](NC(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1)c1ccccc1-n1cccn1 ZINC000545435851 490135069 /nfs/dbraw/zinc/13/50/69/490135069.db2.gz UXJDBUUPMVXALE-DOMZBBRYSA-N -1 3 368.397 0.879 10 0 FCAEHM C[C@]1(c2ccc(C(=O)N3CCCC[C@H]3CC(N)=O)cc2)NC(=O)[N-]C1=O ZINC000497298043 490143338 /nfs/dbraw/zinc/14/33/38/490143338.db2.gz VSOZHIVQFXNFLC-SCLBCKFNSA-N -1 3 358.398 0.611 10 0 FCAEHM CO[C@@]1(CO)CCCN(C(=O)CC[N-]S(=O)(=O)c2cccs2)C1 ZINC000401742149 490175128 /nfs/dbraw/zinc/17/51/28/490175128.db2.gz SIRWVAIWJKYVNY-AWEZNQCLSA-N -1 3 362.473 0.416 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)C(=O)N1CCCC1 ZINC000546057021 490181771 /nfs/dbraw/zinc/18/17/71/490181771.db2.gz WUCJJJILTOWVFE-NSHDSACASA-N -1 3 360.457 0.379 10 0 FCAEHM COc1ccc2c(c1)[n-]cc(C(=O)N[C@H]1CCc3nnnn3CC1)c2=O ZINC000422135575 490182901 /nfs/dbraw/zinc/18/29/01/490182901.db2.gz NMOURKIYFHLSCJ-JTQLQIEISA-N -1 3 354.370 0.658 10 0 FCAEHM C[C@@H](CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])S(C)(=O)=O ZINC000533161971 490187605 /nfs/dbraw/zinc/18/76/05/490187605.db2.gz ZIHVGXLVFVFNNO-WCQYABFASA-N -1 3 354.428 0.546 10 0 FCAEHM COCCCOC1CN(C(=O)CC[N-]S(=O)(=O)c2cccs2)C1 ZINC000480477168 490195816 /nfs/dbraw/zinc/19/58/16/490195816.db2.gz JTQPPDURKZDXFL-UHFFFAOYSA-N -1 3 362.473 0.680 10 0 FCAEHM CCN(CC)CCS(=O)(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000520898038 490203478 /nfs/dbraw/zinc/20/34/78/490203478.db2.gz WHNUPQPGCODANP-UHFFFAOYSA-N -1 3 369.487 0.822 10 0 FCAEHM COc1cc(C)c(NC(=O)C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)cc1C ZINC000447230364 490204383 /nfs/dbraw/zinc/20/43/83/490204383.db2.gz RMVCYMALXBONGN-LBPRGKRZSA-N -1 3 360.370 0.013 10 0 FCAEHM O=C(CCNC(=O)[C@@H]1CCCN1)N=c1nc(-c2ccsc2)[n-]s1 ZINC000564448994 491307481 /nfs/dbraw/zinc/30/74/81/491307481.db2.gz VKOINMFFFQFCOO-JTQLQIEISA-N -1 3 351.457 0.885 10 0 FCAEHM C[C@H]([N-]S(C)(=O)=O)c1nc(-c2ccc(OCC(=O)N(C)C)cc2)no1 ZINC000546390459 490213494 /nfs/dbraw/zinc/21/34/94/490213494.db2.gz ZPJVANHLDUQHIQ-JTQLQIEISA-N -1 3 368.415 0.814 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CCO[C@H](C3CCC3)C2)cn1C ZINC000521208840 490235718 /nfs/dbraw/zinc/23/57/18/490235718.db2.gz SOFUJCYXQMTCJC-AWEZNQCLSA-N -1 3 370.475 0.424 10 0 FCAEHM O=C(c1cccc([O-])c1)N1CCN(C[C@@H](O)COC[C@H]2CCCO2)CC1 ZINC000533531583 490249567 /nfs/dbraw/zinc/24/95/67/490249567.db2.gz SCQXPYWGBOXZSY-QZTJIDSGSA-N -1 3 364.442 0.707 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCc1cccc(NC(=O)c2ccccn2)c1 ZINC000482853306 490255625 /nfs/dbraw/zinc/25/56/25/490255625.db2.gz ZBEZUSBQJLQZCF-AWEZNQCLSA-N -1 3 367.365 0.548 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]CCN1CCO[C@@H](C)C1 ZINC000571511784 491312470 /nfs/dbraw/zinc/31/24/70/491312470.db2.gz WLXZXIURKKQYNL-JTQLQIEISA-N -1 3 360.432 0.682 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCc2nc([C@@H]3CCO[C@@H](C)C3)no2)cn1C ZINC000547218004 490271118 /nfs/dbraw/zinc/27/11/18/490271118.db2.gz CWIQUHJZIOREGF-CMPLNLGQSA-N -1 3 369.447 0.915 10 0 FCAEHM CCN1CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccncc3)cc2)CC1=O ZINC000483035161 490274339 /nfs/dbraw/zinc/27/43/39/490274339.db2.gz IQLUKLSSRVUWNT-UHFFFAOYSA-N -1 3 374.422 0.566 10 0 FCAEHM CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000547326460 490279082 /nfs/dbraw/zinc/27/90/82/490279082.db2.gz OZTOMNGOSDFUSN-CQSZACIVSA-N -1 3 357.414 0.678 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)NCC[C@H](O)C(F)(F)F ZINC000547405112 490288921 /nfs/dbraw/zinc/28/89/21/490288921.db2.gz JQTDAGXDFVQJJE-NSHDSACASA-N -1 3 359.304 0.922 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNS(=O)(=O)N2CCC[C@@H]2C)s1 ZINC000408291572 490299289 /nfs/dbraw/zinc/29/92/89/490299289.db2.gz ZDNRIDYTUJDNGY-VIFPVBQESA-N -1 3 353.491 0.475 10 0 FCAEHM O=S(=O)([N-]CCNS(=O)(=O)c1cccnc1)c1ccccc1F ZINC000448159023 490316901 /nfs/dbraw/zinc/31/69/01/490316901.db2.gz HSWSFDDAKVUTPH-UHFFFAOYSA-N -1 3 359.404 0.478 10 0 FCAEHM CCOC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000467681966 490329412 /nfs/dbraw/zinc/32/94/12/490329412.db2.gz LIWCSQCLBHQFIK-RYUDHWBXSA-N -1 3 367.789 0.529 10 0 FCAEHM C[C@]1(c2ccc(C(=O)N3CCSC[C@@H]3CCO)cc2)NC(=O)[N-]C1=O ZINC000534344510 490357106 /nfs/dbraw/zinc/35/71/06/490357106.db2.gz BTXXYQWLFNLLQB-SUMWQHHRSA-N -1 3 363.439 0.681 10 0 FCAEHM COc1cccc(-c2noc([C@H](C)NC(=O)C[C@@H]3NC(=O)[N-]C3=O)n2)c1 ZINC000534589726 490386600 /nfs/dbraw/zinc/38/66/00/490386600.db2.gz IXPHEQOJGZAOBJ-KWQFWETISA-N -1 3 359.342 0.521 10 0 FCAEHM O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000411103174 490387716 /nfs/dbraw/zinc/38/77/16/490387716.db2.gz GCKOHPVPIWXHPQ-QWRGUYRKSA-N -1 3 374.401 0.201 10 0 FCAEHM O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000411103174 490387724 /nfs/dbraw/zinc/38/77/24/490387724.db2.gz GCKOHPVPIWXHPQ-QWRGUYRKSA-N -1 3 374.401 0.201 10 0 FCAEHM O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000411103174 490387727 /nfs/dbraw/zinc/38/77/27/490387727.db2.gz GCKOHPVPIWXHPQ-QWRGUYRKSA-N -1 3 374.401 0.201 10 0 FCAEHM CCS(=O)(=O)NCCNC(=O)Cc1ccc(Br)cc1[O-] ZINC000548074470 490416443 /nfs/dbraw/zinc/41/64/43/490416443.db2.gz FOTNBDBZZSTVPO-UHFFFAOYSA-N -1 3 365.249 0.753 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]([C@@H]3CCOC3)C2)cn1 ZINC000548107119 490422174 /nfs/dbraw/zinc/42/21/74/490422174.db2.gz NEUHQWKKYKLOCC-ZIAGYGMSSA-N -1 3 353.444 0.878 10 0 FCAEHM CCCc1nc(=NC(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)s[n-]1 ZINC000411396749 490447349 /nfs/dbraw/zinc/44/73/49/490447349.db2.gz GIOIXYDIGAEJAV-GFCCVEGCSA-N -1 3 351.476 0.938 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)c1cn(CC2CC2)nn1 ZINC000450185460 490448407 /nfs/dbraw/zinc/44/84/07/490448407.db2.gz SGFITNSEPHAGOM-UHFFFAOYSA-N -1 3 355.445 0.458 10 0 FCAEHM Cn1nccc1CNC(=O)NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000523216585 490449536 /nfs/dbraw/zinc/44/95/36/490449536.db2.gz RLSYVQQVOUPNJD-QGZVFWFLSA-N -1 3 356.386 0.474 10 0 FCAEHM C[C@H](CCNC(=O)CNC(=O)c1c[n-]c2ccccc2c1=O)[S@](C)=O ZINC000484891934 490476205 /nfs/dbraw/zinc/47/62/05/490476205.db2.gz ZEVZRRBOBATLMK-NDHGSNPTSA-N -1 3 363.439 0.531 10 0 FCAEHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@H]1CCC[C@H](C(N)=O)C1 ZINC000535332211 490480783 /nfs/dbraw/zinc/48/07/83/490480783.db2.gz MVDPRJCQKJWNEK-ONGXEEELSA-N -1 3 358.391 0.935 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NC[C@@H](CO)c1cccnc1 ZINC000571793433 491329718 /nfs/dbraw/zinc/32/97/18/491329718.db2.gz QSSNVXSYLMXLLZ-AAEUAGOBSA-N -1 3 369.468 0.702 10 0 FCAEHM CCOC(=O)[C@H](CC)C(=O)NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000411857223 490487837 /nfs/dbraw/zinc/48/78/37/490487837.db2.gz LZBMOTBPLVVXHM-ACJLOTCBSA-N -1 3 361.398 0.947 10 0 FCAEHM COCc1csc(NC(=O)C[N-]S(=O)(=O)c2cn(C)c(C)n2)n1 ZINC000523748577 490492567 /nfs/dbraw/zinc/49/25/67/490492567.db2.gz PTZJXQAEGWAIBT-UHFFFAOYSA-N -1 3 359.433 0.248 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2CC(=O)N2CCN(Cc3ccco3)CC2)nc1=N ZINC000450908661 490498416 /nfs/dbraw/zinc/49/84/16/490498416.db2.gz HPNHVPJGKWDJBI-OAHLLOKOSA-N -1 3 373.461 0.302 10 0 FCAEHM C[C@@H](Cn1cncn1)NC(=O)NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000523929567 490503070 /nfs/dbraw/zinc/50/30/70/490503070.db2.gz AILDNMWTXZLPQQ-APPDUMDISA-N -1 3 371.401 0.221 10 0 FCAEHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N(CCO)[C@@H]1CCO[C@@H]1C ZINC000485155740 490507890 /nfs/dbraw/zinc/50/78/90/490507890.db2.gz YAGYPZKIOJLQBL-ZYHUDNBSSA-N -1 3 370.427 0.862 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H]2CCOC[C@@H]2C)ccc1F ZINC000500358861 490508265 /nfs/dbraw/zinc/50/82/65/490508265.db2.gz KDBJXQLROUIWRG-JOYOIKCWSA-N -1 3 373.406 0.214 10 0 FCAEHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N(CCO)[C@H]1CCO[C@@H]1C ZINC000485216303 490514601 /nfs/dbraw/zinc/51/46/01/490514601.db2.gz XTRJIOJVFBJWEP-KOLCDFICSA-N -1 3 356.400 0.472 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CCC1(O)CCOCC1 ZINC000510440782 490516718 /nfs/dbraw/zinc/51/67/18/490516718.db2.gz DKRDEPKYLCRGRH-UHFFFAOYSA-N -1 3 363.457 0.300 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC1(C(=O)N(C)C)CC1 ZINC000413923809 490520408 /nfs/dbraw/zinc/52/04/08/490520408.db2.gz UUNWFSQLOBUFRV-JTQLQIEISA-N -1 3 357.407 0.230 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2c(C(=O)NCC3(CCO)CC3)cc(C3CC3)nc21 ZINC000548644053 490522359 /nfs/dbraw/zinc/52/23/59/490522359.db2.gz XLPSXLAQWPPTLV-UHFFFAOYSA-N -1 3 358.398 0.804 10 0 FCAEHM CN1C[C@@H](NC(=O)Nc2ccc(C[C@H]3NC(=O)[N-]C3=O)cc2)CCC1=O ZINC000535814316 490533452 /nfs/dbraw/zinc/53/34/52/490533452.db2.gz IAWMLWUBFHEIGN-QWHCGFSZSA-N -1 3 359.386 0.179 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(C)Cc1nncn1C ZINC000510940736 490550769 /nfs/dbraw/zinc/55/07/69/490550769.db2.gz DPOVSGLEYVXSMX-UHFFFAOYSA-N -1 3 365.415 0.959 10 0 FCAEHM CS(=O)(=O)c1nccc(C(=O)[N-]c2ccccc2SCC(N)=O)n1 ZINC000485752706 490557144 /nfs/dbraw/zinc/55/71/44/490557144.db2.gz WUILSZJKXUOMBU-UHFFFAOYSA-N -1 3 366.424 0.710 10 0 FCAEHM CCOC(=O)[C@H]([N-]S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1)C1CCOCC1 ZINC000536157162 490557911 /nfs/dbraw/zinc/55/79/11/490557911.db2.gz GVUJZDHCPQCWBN-YRGRVCCFSA-N -1 3 364.464 0.288 10 0 FCAEHM CN(C)c1nc(C(=O)Nc2ccc(C[C@@H]3NC(=O)NC3=O)cc2)cc(=O)[n-]1 ZINC000549651886 490593054 /nfs/dbraw/zinc/59/30/54/490593054.db2.gz BKZZITKTPFHBGR-NSHDSACASA-N -1 3 370.369 0.251 10 0 FCAEHM COC(=O)c1ccc(N2CCN(C(=O)C[C@@H]3NC(=O)[N-]C3=O)[C@@H](C)C2)cc1 ZINC000486161660 490594509 /nfs/dbraw/zinc/59/45/09/490594509.db2.gz CJWCEZHZDMAQDD-FZMZJTMJSA-N -1 3 374.397 0.108 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)CCn2nnc3ccccc3c2=O)nc1=N ZINC000549727392 490597275 /nfs/dbraw/zinc/59/72/75/490597275.db2.gz XXHOWEYTTMAMEF-CYBMUJFWSA-N -1 3 368.401 0.086 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CC(C)(C(N)=O)C1 ZINC000564945578 491339027 /nfs/dbraw/zinc/33/90/27/491339027.db2.gz JWRTWSJBKVJHNQ-UHFFFAOYSA-N -1 3 353.400 0.506 10 0 FCAEHM CCn1c(=O)[n-]c(=O)c2c(C(=O)N3CCNC(=O)CC3)cc(C3CC3)nc21 ZINC000486322493 490610333 /nfs/dbraw/zinc/61/03/33/490610333.db2.gz XJTGICIAWDPXSM-UHFFFAOYSA-N -1 3 371.397 0.357 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]CCS(=O)(=O)NCc2ccccc2)o1 ZINC000536895722 490620560 /nfs/dbraw/zinc/62/05/60/490620560.db2.gz DANAZHCJVJPFAX-UHFFFAOYSA-N -1 3 358.441 0.986 10 0 FCAEHM COC[C@@H]1CN(C(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)CCO1 ZINC000525768836 490631070 /nfs/dbraw/zinc/63/10/70/490631070.db2.gz XEENCGDDLLOLJF-HNNXBMFYSA-N -1 3 372.425 0.947 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)NCCc2ccccc2O)cn1C ZINC000511905172 490637429 /nfs/dbraw/zinc/63/74/29/490637429.db2.gz PCUZNDOYQHMOTI-UHFFFAOYSA-N -1 3 352.416 0.071 10 0 FCAEHM C[C@]1(c2ccc(CNC(=O)c3cn4c(n3)CCC4)cc2)NC(=O)[N-]C1=O ZINC000565015042 491345691 /nfs/dbraw/zinc/34/56/91/491345691.db2.gz OUODECHUPULTJQ-GOSISDBHSA-N -1 3 353.382 0.814 10 0 FCAEHM CC[C@H](C)C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]C)nc1)C(=O)OC ZINC000565020708 491346240 /nfs/dbraw/zinc/34/62/40/491346240.db2.gz PCAQYLKGELRMJN-JQWIXIFHSA-N -1 3 357.432 0.697 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)CCCC1 ZINC000527020041 490692458 /nfs/dbraw/zinc/69/24/58/490692458.db2.gz KHAOFCCGKOYFED-ITGUQSILSA-N -1 3 369.443 0.644 10 0 FCAEHM C[C@H]1OCC[C@@H]1S(=O)(=O)[N-]CC(=O)Nc1ccc(-n2cccn2)cc1 ZINC000527192601 490706953 /nfs/dbraw/zinc/70/69/53/490706953.db2.gz GGVYQFUHLLGINX-DOMZBBRYSA-N -1 3 364.427 0.908 10 0 FCAEHM CCOC(=O)[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000487366121 490708770 /nfs/dbraw/zinc/70/87/70/490708770.db2.gz QIJLBGGHWFRLFZ-IUCAKERBSA-N -1 3 364.370 0.699 10 0 FCAEHM CCOC(=O)[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cnc(CC)s1 ZINC000487374111 490709608 /nfs/dbraw/zinc/70/96/08/490709608.db2.gz ZRMUOAHKJIGPOR-IUCAKERBSA-N -1 3 363.461 0.440 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)[C@@H](C)[C@@H](C)O1 ZINC000527327357 490717541 /nfs/dbraw/zinc/71/75/41/490717541.db2.gz VCCKVYYJQOJWAA-KXUCPTDWSA-N -1 3 368.415 0.221 10 0 FCAEHM O=C(CN1CCCC1)N1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000487628163 490721664 /nfs/dbraw/zinc/72/16/64/490721664.db2.gz YIZKIDUSMZGXQT-UHFFFAOYSA-N -1 3 368.437 0.908 10 0 FCAEHM O=C(c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1)N1CC(CCO)C1 ZINC000538318320 490726561 /nfs/dbraw/zinc/72/65/61/490726561.db2.gz QGRFGLXCBLQMPF-UHFFFAOYSA-N -1 3 361.423 0.759 10 0 FCAEHM COC(=O)c1c(C)nc(=O)[n-]c1SCCn1nc2ccccn2c1=O ZINC000513591566 490739512 /nfs/dbraw/zinc/73/95/12/490739512.db2.gz HHRYIFQVQWXKOP-UHFFFAOYSA-N -1 3 361.383 0.879 10 0 FCAEHM O=C(Cc1ccc(Br)cc1[O-])NCCCN1CCNC(=O)C1 ZINC000488088234 490745462 /nfs/dbraw/zinc/74/54/62/490745462.db2.gz YFCUIWKPWMSSLW-UHFFFAOYSA-N -1 3 370.247 0.635 10 0 FCAEHM CS(=O)(=O)N1CC[C@@H](CN2CCN(C(=O)c3cccc([O-])c3)CC2)C1 ZINC000514083646 490761226 /nfs/dbraw/zinc/76/12/26/490761226.db2.gz NWGIKCQYVJBGOS-AWEZNQCLSA-N -1 3 367.471 0.432 10 0 FCAEHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]C[C@@H]3CC[C@H](C(=O)N(C)C)O3)cn21 ZINC000557110195 491353559 /nfs/dbraw/zinc/35/35/59/491353559.db2.gz NGAFFHBPEGJHSP-FRRDWIJNSA-N -1 3 370.475 0.695 10 0 FCAEHM C[C@@H]1CN(c2cc(F)cc(NC(=O)C[C@@H]3NC(=O)[N-]C3=O)c2)C[C@H](C)O1 ZINC000565141852 491355633 /nfs/dbraw/zinc/35/56/33/491355633.db2.gz OISRPCJBQIFXPH-RBZYPMLTSA-N -1 3 364.377 0.976 10 0 FCAEHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-]Cc1nnn(C)n1 ZINC000528377425 490792365 /nfs/dbraw/zinc/79/23/65/490792365.db2.gz FYKATMCQQADPFB-UHFFFAOYSA-N -1 3 367.309 0.596 10 0 FCAEHM CCn1ncc(C[N-]S(=O)(=O)c2ccc(OC)c(C(=O)N(C)C)c2)n1 ZINC000528447428 490798189 /nfs/dbraw/zinc/79/81/89/490798189.db2.gz STGRFCMSVODFIB-UHFFFAOYSA-N -1 3 367.431 0.487 10 0 FCAEHM CC(C)c1nc(S(=O)(=O)[N-]C[C@@]2(CO)COCC3(CCC3)N2C)c[nH]1 ZINC000528481446 490801850 /nfs/dbraw/zinc/80/18/50/490801850.db2.gz PPSKDAMGFLGNHM-MRXNPFEDSA-N -1 3 372.491 0.427 10 0 FCAEHM COc1cc2c(cc1F)CC[C@@H]2NC(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000515155858 490810400 /nfs/dbraw/zinc/81/04/00/490810400.db2.gz OASZYZIODOEQGQ-STQMWFEESA-N -1 3 362.361 0.767 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)OCC(F)(F)F ZINC000528592560 490810718 /nfs/dbraw/zinc/81/07/18/490810718.db2.gz QYYUTBUZDFWHBQ-UHFFFAOYSA-N -1 3 362.351 0.709 10 0 FCAEHM Cc1cc(C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)c(C)n1-c1cnccn1 ZINC000528782100 490827748 /nfs/dbraw/zinc/82/77/48/490827748.db2.gz ITMYAAFKSQTWRT-ZDUSSCGKSA-N -1 3 354.370 0.260 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)c3cn(C[C@@H]4CCOC4)nn3)cc2n(C)c1=O ZINC000529408312 490859994 /nfs/dbraw/zinc/85/99/94/490859994.db2.gz HZHNNYJMWXXROU-JTQLQIEISA-N -1 3 372.385 0.463 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)c1cccc2ncnn21 ZINC000541567458 490866373 /nfs/dbraw/zinc/86/63/73/490866373.db2.gz YRXKZZRLPHQBEP-UHFFFAOYSA-N -1 3 351.413 0.499 10 0 FCAEHM CN1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cc(F)cc2nn[n-]c21 ZINC000529751301 490872574 /nfs/dbraw/zinc/87/25/74/490872574.db2.gz HJKTTZQXWBAUKW-QGZVFWFLSA-N -1 3 363.393 0.443 10 0 FCAEHM CN1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cc(F)cc2[n-]nnc21 ZINC000529751301 490872575 /nfs/dbraw/zinc/87/25/75/490872575.db2.gz HJKTTZQXWBAUKW-QGZVFWFLSA-N -1 3 363.393 0.443 10 0 FCAEHM CN1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cc(F)cc2n[n-]nc21 ZINC000529751301 490872576 /nfs/dbraw/zinc/87/25/76/490872576.db2.gz HJKTTZQXWBAUKW-QGZVFWFLSA-N -1 3 363.393 0.443 10 0 FCAEHM Cn1cc(C(=O)NCCc2cccc3c2OC(F)(F)O3)c(=O)[n-]c1=O ZINC000529756339 490874829 /nfs/dbraw/zinc/87/48/29/490874829.db2.gz GXEFRHHMIKNNHO-UHFFFAOYSA-N -1 3 353.281 0.780 10 0 FCAEHM CC1(C)OC[C@@H]2C[C@@]21NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000529785846 490877390 /nfs/dbraw/zinc/87/73/90/490877390.db2.gz VKMNCZXKGUVADY-WPPNPWJKSA-N -1 3 358.192 0.395 10 0 FCAEHM CC1(C)OC[C@H]2C[C@]21NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000529785845 490877424 /nfs/dbraw/zinc/87/74/24/490877424.db2.gz VKMNCZXKGUVADY-UHLUBPPHSA-N -1 3 358.192 0.395 10 0 FCAEHM CC(C)[C@@H]1CN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)CCN1Cc1ccccc1 ZINC000529802903 490877607 /nfs/dbraw/zinc/87/76/07/490877607.db2.gz JISTVAPGUDEGRF-HOTGVXAUSA-N -1 3 358.442 0.954 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)c2ccc(NC(C)=O)cn2)s1 ZINC000542015287 490882456 /nfs/dbraw/zinc/88/24/56/490882456.db2.gz IJSYDWLSANSKHV-UHFFFAOYSA-N -1 3 368.440 0.940 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCC(C)(C)C(=O)N2CCCC2)c(C)o1 ZINC000530085375 490887766 /nfs/dbraw/zinc/88/77/66/490887766.db2.gz MGQMYFZOVRGNOS-UHFFFAOYSA-N -1 3 371.459 0.875 10 0 FCAEHM Cn1ccnc1CN1CCC[C@H]([N-]S(=O)(=O)C[C@H]2CCCO2)C1=O ZINC000517257468 490901980 /nfs/dbraw/zinc/90/19/80/490901980.db2.gz QNLWJLWEDZTWFY-OLZOCXBDSA-N -1 3 356.448 0.010 10 0 FCAEHM COc1nn(C)cc1NC(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000530389531 490903673 /nfs/dbraw/zinc/90/36/73/490903673.db2.gz UIPCCTSLJKVUFP-UHFFFAOYSA-N -1 3 359.433 0.590 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]CC(=O)NCc2ccco2)c(F)c1 ZINC000530479517 490908192 /nfs/dbraw/zinc/90/81/92/490908192.db2.gz FDKXDUKYZUKIHU-UHFFFAOYSA-N -1 3 370.358 0.800 10 0 FCAEHM CCO[C@@H]1C[C@H](NC(=O)CNC(=O)c2cccc([O-])c2)[C@H]1n1cccn1 ZINC000517427600 490908920 /nfs/dbraw/zinc/90/89/20/490908920.db2.gz GAZUMUVOBSVULD-ZMSDIMECSA-N -1 3 358.398 0.853 10 0 FCAEHM Cn1ncc(Br)c1C(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1 ZINC000517750082 490919475 /nfs/dbraw/zinc/91/94/75/490919475.db2.gz SDYSTISXELFWGU-MRVPVSSYSA-N -1 3 354.212 0.701 10 0 FCAEHM CN(C)S(=O)(=O)CC(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000543268033 490927671 /nfs/dbraw/zinc/92/76/71/490927671.db2.gz KZEQDUWKLZUZMM-UHFFFAOYSA-N -1 3 353.397 0.027 10 0 FCAEHM O=S(=O)(C[C@H](O)C[N-]S(=O)(=O)c1cscn1)c1cccs1 ZINC000518176496 490931905 /nfs/dbraw/zinc/93/19/05/490931905.db2.gz VPWNPNDIRBVCII-MRVPVSSYSA-N -1 3 368.483 0.318 10 0 FCAEHM CN1CN(C(=O)c2sccc2S(=O)(=O)[N-]Cc2ccco2)CC1=O ZINC000543684933 490941025 /nfs/dbraw/zinc/94/10/25/490941025.db2.gz UADXBWJUURFWIA-UHFFFAOYSA-N -1 3 369.424 0.691 10 0 FCAEHM CN1CCc2ccc(S(=O)(=O)N3CCC4(CC3)NC(=O)[N-]C4=O)cc21 ZINC000531480359 490960377 /nfs/dbraw/zinc/96/03/77/490960377.db2.gz VPXIAZORXQLPNZ-UHFFFAOYSA-N -1 3 364.427 0.042 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)C(C)(C)c2cnn(C)c2)s1 ZINC000544208638 490961394 /nfs/dbraw/zinc/96/13/94/490961394.db2.gz APJJSXWKQZTUCS-UHFFFAOYSA-N -1 3 356.473 0.984 10 0 FCAEHM COC(=O)c1ccc(OC)c(S(=O)(=O)[N-][C@@H]2CNCCC2(F)F)c1 ZINC000519154272 490963555 /nfs/dbraw/zinc/96/35/55/490963555.db2.gz CSMDIVLPBFBTDN-GFCCVEGCSA-N -1 3 364.370 0.757 10 0 FCAEHM CCOC(=O)[C@@H](CNC(=O)c1cn(C)c(=O)[n-]c1=O)Cc1ccccc1 ZINC000519280131 490967615 /nfs/dbraw/zinc/96/76/15/490967615.db2.gz MZNMLPYNCPANES-CYBMUJFWSA-N -1 3 359.382 0.638 10 0 FCAEHM CCOC(=O)[C@H](CNC(=O)c1cn(C)c(=O)[n-]c1=O)Cc1ccccc1 ZINC000519280132 490967725 /nfs/dbraw/zinc/96/77/25/490967725.db2.gz MZNMLPYNCPANES-ZDUSSCGKSA-N -1 3 359.382 0.638 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2CC(=O)NC[C@@H]2Cc3ccccc3O2)nc1=N ZINC000519625142 490980241 /nfs/dbraw/zinc/98/02/41/490980241.db2.gz FKCYGZUEWRYZDJ-UONOGXRCSA-N -1 3 356.430 0.484 10 0 FCAEHM O=C(c1cn(CC2CC2)nn1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000519625152 490980299 /nfs/dbraw/zinc/98/02/99/490980299.db2.gz ZHPAZGFZIJTCFR-UHFFFAOYSA-N -1 3 355.398 0.992 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCC[C@@H]2COCC[C@@H]21 ZINC000532052699 490984361 /nfs/dbraw/zinc/98/43/61/490984361.db2.gz QWNNPIJFJBJSCJ-KOLCDFICSA-N -1 3 372.219 0.739 10 0 FCAEHM O=C(Nc1ccc(F)cc1)C1(C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)CC1 ZINC000532356622 490991622 /nfs/dbraw/zinc/99/16/22/490991622.db2.gz MWTXMLACZJULBM-GFCCVEGCSA-N -1 3 360.345 0.307 10 0 FCAEHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(N)=O)C2)s1 ZINC000532450825 490993105 /nfs/dbraw/zinc/99/31/05/490993105.db2.gz KIPQBTVZLAALSP-NWDGAFQWSA-N -1 3 373.500 0.749 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)s1 ZINC000532591801 490994643 /nfs/dbraw/zinc/99/46/43/490994643.db2.gz LHDDNATVCOXHJI-VHSXEESVSA-N -1 3 374.488 0.500 10 0 FCAEHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)CC2(C(=O)OC)CC2)[C@H]1n1cccn1 ZINC000601422957 491917330 /nfs/dbraw/zinc/91/73/30/491917330.db2.gz CGRBUTYQMVRVHL-JHJVBQTASA-N -1 3 357.432 0.474 10 0 FCAEHM O=C(c1cnn(-c2ccccc2F)c1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000562604952 491176597 /nfs/dbraw/zinc/17/65/97/491176597.db2.gz DZYJZPNPSBRPEJ-KRWDZBQOSA-N -1 3 357.345 0.826 10 0 FCAEHM COCc1ccccc1CS(=O)(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000569722039 491185555 /nfs/dbraw/zinc/18/55/55/491185555.db2.gz VDQWPRGXZFQZTB-MRXNPFEDSA-N -1 3 367.427 0.337 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)C2(S(C)(=O)=O)CC2)c(C)o1 ZINC000569756744 491189029 /nfs/dbraw/zinc/18/90/29/491189029.db2.gz NDQUMTBQFCSELK-VIFPVBQESA-N -1 3 364.445 0.192 10 0 FCAEHM COC(=O)[C@@H](CF)NC(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000565446116 491377434 /nfs/dbraw/zinc/37/74/34/491377434.db2.gz XRYJMXYXLAUEAL-LLVKDONJSA-N -1 3 368.333 0.261 10 0 FCAEHM COCCCNC(=O)CS(=O)(=O)c1nnc([N-]c2ccccc2)s1 ZINC000572569934 491379200 /nfs/dbraw/zinc/37/92/00/491379200.db2.gz QIPRZQFFWWUBLH-UHFFFAOYSA-N -1 3 370.456 1.208 10 0 FCAEHM CC[C@@H]([N-]S(=O)(=O)c1cnn(C2CCOCC2)c1)[C@H](O)C(F)F ZINC000565548812 491383942 /nfs/dbraw/zinc/38/39/42/491383942.db2.gz IQYGYLFWIBDILX-NEPJUHHUSA-N -1 3 353.391 0.918 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@H](C)CCS(C)(=O)=O ZINC000558437290 491430784 /nfs/dbraw/zinc/43/07/84/491430784.db2.gz ZLXHEFYFYHEZMP-MRVPVSSYSA-N -1 3 367.445 0.785 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)C3C[C@@H]4COC[C@H](C3)C4=O)cc2n(C)c1=O ZINC000573472260 491435361 /nfs/dbraw/zinc/43/53/61/491435361.db2.gz ORJQLGJUQOQGGG-FGWVZKOKSA-N -1 3 359.382 0.763 10 0 FCAEHM O=C(NCCCc1cc(=O)[nH][n-]1)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000673544318 493343426 /nfs/dbraw/zinc/34/34/26/493343426.db2.gz XSKRTVCQBOLYJI-CYBMUJFWSA-N -1 3 352.460 0.850 10 0 FCAEHM CC1(C)CN(CC(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000566461379 491445894 /nfs/dbraw/zinc/44/58/94/491445894.db2.gz YOWGYNWIRCPKMR-UHFFFAOYSA-N -1 3 361.414 0.701 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@@H]1CCN(c2cc(C)nn2C)C1=O)C1CC1 ZINC000567497287 491509855 /nfs/dbraw/zinc/50/98/55/491509855.db2.gz OZCUUBCZXKZTQH-CHWSQXEVSA-N -1 3 356.448 0.178 10 0 FCAEHM CC[C@H](C)C[C@H]([N-]S(=O)(=O)N1CCC(C(=O)OC)CC1)C(=O)OC ZINC000574806368 491520985 /nfs/dbraw/zinc/52/09/85/491520985.db2.gz FIKMZXZJRKYKEK-AAEUAGOBSA-N -1 3 364.464 0.684 10 0 FCAEHM C[C@@H]1CCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C[C@@H]1C(=O)[O-] ZINC000574916716 491527584 /nfs/dbraw/zinc/52/75/84/491527584.db2.gz CUSVZHWVQRZFOX-BFQNTYOBSA-N -1 3 357.476 0.109 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)c2cncc(N3CCOCC3)c2)nc1=N ZINC000568048461 491550442 /nfs/dbraw/zinc/55/04/42/491550442.db2.gz OVCYVPUCQUYFCR-CQSZACIVSA-N -1 3 357.418 0.437 10 0 FCAEHM Cc1nc(C)c(CCC(=O)NC[C@@H]2CCCCN2S(C)(=O)=O)c(=O)[n-]1 ZINC000560780025 491557140 /nfs/dbraw/zinc/55/71/40/491557140.db2.gz BROIBJBXSIDYJI-ZDUSSCGKSA-N -1 3 370.475 0.662 10 0 FCAEHM COc1ccc([N-]S(=O)(=O)C[C@H](OC)C2CC2)cc1OCC(N)=O ZINC000575749233 491558353 /nfs/dbraw/zinc/55/83/53/491558353.db2.gz NRJWPWLPTMYRDZ-AWEZNQCLSA-N -1 3 358.416 0.726 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]c1cccc([C@@]2(C)NC(=O)NC2=O)c1)C1CC1 ZINC000575749256 491558426 /nfs/dbraw/zinc/55/84/26/491558426.db2.gz YJRDBBFDOYZSBM-CZUORRHYSA-N -1 3 367.427 0.908 10 0 FCAEHM O=S(=O)([N-]C[C@@H](O)Cn1ccnn1)c1cccnc1C(F)(F)F ZINC000568263938 491563882 /nfs/dbraw/zinc/56/38/82/491563882.db2.gz PPQBOKLVAOXRGR-MRVPVSSYSA-N -1 3 351.310 0.031 10 0 FCAEHM CCOc1ccncc1S(=O)(=O)[N-]Cc1ccc(OCCOC)nn1 ZINC000568264286 491563934 /nfs/dbraw/zinc/56/39/34/491563934.db2.gz ZVOXKWKDLGNHEA-UHFFFAOYSA-N -1 3 368.415 0.774 10 0 FCAEHM CCn1nnc(C)c1C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000568474871 491579404 /nfs/dbraw/zinc/57/94/04/491579404.db2.gz JDQBIUMOKHWWKC-UHFFFAOYSA-N -1 3 373.385 0.593 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)Nc1ccn(CCO)n1 ZINC000568521994 491583208 /nfs/dbraw/zinc/58/32/08/491583208.db2.gz PVLASSZEFZRVEO-UHFFFAOYSA-N -1 3 366.399 0.999 10 0 FCAEHM CO[C@H](CS(=O)(=O)NCCCNC(=O)c1cccc([O-])c1)C1CC1 ZINC000568623993 491593126 /nfs/dbraw/zinc/59/31/26/491593126.db2.gz ARHPTSWYKFRWBQ-OAHLLOKOSA-N -1 3 356.444 0.857 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(C[C@H]2NC(=O)NC2=O)cc1)C1CC1 ZINC000576280169 491601082 /nfs/dbraw/zinc/60/10/82/491601082.db2.gz VQTOMECPOLZIOY-KGLIPLIRSA-N -1 3 367.427 0.604 10 0 FCAEHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](CO)c1ccnn1C ZINC000576527937 491622815 /nfs/dbraw/zinc/62/28/15/491622815.db2.gz BUWLHQDGTMKYKO-NSHDSACASA-N -1 3 357.363 0.358 10 0 FCAEHM COc1cc(C(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)ccc1[O-] ZINC000561788893 491630983 /nfs/dbraw/zinc/63/09/83/491630983.db2.gz YMNFUIWPIRJVKA-GFCCVEGCSA-N -1 3 357.432 0.401 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-][C@H]1CCCN(Cc2nccn2C)C1=O)C1CC1 ZINC000576633687 491631782 /nfs/dbraw/zinc/63/17/82/491631782.db2.gz LPXMILCHKQDBQG-KBPBESRZSA-N -1 3 370.475 0.256 10 0 FCAEHM C[C@H](Sc1nnnn1C1CC1)C(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1 ZINC000579527975 491699858 /nfs/dbraw/zinc/69/98/58/491699858.db2.gz UQUYQHKBRLZNTO-WCBMZHEXSA-N -1 3 363.451 0.393 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)nc1=N ZINC000579646635 491702332 /nfs/dbraw/zinc/70/23/32/491702332.db2.gz RTMUPXJROQVVRA-SRVKXCTJSA-N -1 3 360.418 0.066 10 0 FCAEHM CC(C)C[C@@H](C(N)=O)N(C(=O)[C@H](CN)N[C@H](C)C(=O)[O-])c1ccccc1 ZINC000584605068 491708960 /nfs/dbraw/zinc/70/89/60/491708960.db2.gz ZAFJDVYQTCKWKO-SNPRPXQTSA-N -1 3 364.446 0.310 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C[C@H]1CCS(=O)(=O)C1 ZINC000589214636 491757465 /nfs/dbraw/zinc/75/74/65/491757465.db2.gz KZGDIRCYFZVZMN-SNVBAGLBSA-N -1 3 365.429 0.396 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N3CCOc4ccccc43)cnc21 ZINC000589982076 491768190 /nfs/dbraw/zinc/76/81/90/491768190.db2.gz VNVFEKLICYIDHQ-UHFFFAOYSA-N -1 3 374.378 0.622 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@H]2c2nc(=N)n(C)[nH]2)c([O-])c1 ZINC000581693866 491782985 /nfs/dbraw/zinc/78/29/85/491782985.db2.gz SBDXSQRHTOUTNW-ZDUSSCGKSA-N -1 3 372.429 0.725 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCN1CCOC[C@@H]1C ZINC000591228579 491799612 /nfs/dbraw/zinc/79/96/12/491799612.db2.gz YGOHVJWPLYIMPX-STQMWFEESA-N -1 3 373.450 0.329 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-][C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c1 ZINC000673825937 493364689 /nfs/dbraw/zinc/36/46/89/493364689.db2.gz ROVABXSEIVSXNN-ZYHUDNBSSA-N -1 3 352.420 0.109 10 0 FCAEHM COC[C@@](C)(CC(=O)OC)[N-]S(=O)(=O)C[C@H](OC)C1CCOCC1 ZINC000592034365 491828270 /nfs/dbraw/zinc/82/82/70/491828270.db2.gz LCVXRBKSADQJJY-DZGCQCFKSA-N -1 3 367.464 0.316 10 0 FCAEHM COC(=O)C[C@]1([N-]S(=O)(=O)c2coc(C(=O)N(C)C)c2C)CCOC1 ZINC000592047132 491829571 /nfs/dbraw/zinc/82/95/71/491829571.db2.gz LGMRXHNSBJKDFD-OAHLLOKOSA-N -1 3 374.415 0.290 10 0 FCAEHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)N(C)CC2)c1ccnn1C ZINC000592091722 491831602 /nfs/dbraw/zinc/83/16/02/491831602.db2.gz KMEFVYBWXTZMNS-HNNXBMFYSA-N -1 3 364.427 0.605 10 0 FCAEHM CC(C)(NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(N)=O ZINC000583264781 491841182 /nfs/dbraw/zinc/84/11/82/491841182.db2.gz GYMYAEMSCYXGPY-UHFFFAOYSA-N -1 3 368.242 0.652 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)NC[C@@H]3C[C@H]3C3CC3)cnc21 ZINC000583363300 491843348 /nfs/dbraw/zinc/84/33/48/491843348.db2.gz IQJRAZWODACFIR-ONGXEEELSA-N -1 3 350.400 0.359 10 0 FCAEHM COC(C)(C)CS(=O)(=O)NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000583533161 491846999 /nfs/dbraw/zinc/84/69/99/491846999.db2.gz IJUCKDUSLPESBX-MRXNPFEDSA-N -1 3 369.443 0.586 10 0 FCAEHM C[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)C[C@@H]1C(=O)[O-] ZINC000584291419 491862480 /nfs/dbraw/zinc/86/24/80/491862480.db2.gz PIZWHFGFUSMYLH-KFWWJZLASA-N -1 3 369.462 0.125 10 0 FCAEHM CCn1cc(S(=O)(=O)[N-][C@]2(C(=O)OC(C)(C)C)CCOC2)nc1C ZINC000594843956 491865237 /nfs/dbraw/zinc/86/52/37/491865237.db2.gz VIKVDBXVNCTYFU-OAHLLOKOSA-N -1 3 359.448 0.991 10 0 FCAEHM COC(=O)[C@](C)(CCF)[N-]S(=O)(=O)C1CN(C(=O)c2ccccc2)C1 ZINC000594864564 491867953 /nfs/dbraw/zinc/86/79/53/491867953.db2.gz GQRDQXOJTNQAKQ-INIZCTEOSA-N -1 3 372.418 0.722 10 0 FCAEHM COC(=O)C[C@H](C[N-]S(=O)(=O)c1cnc(NC(C)=O)s1)C1CC1 ZINC000594865236 491868067 /nfs/dbraw/zinc/86/80/67/491868067.db2.gz ZJLZMLQSISIMEN-SNVBAGLBSA-N -1 3 361.445 0.969 10 0 FCAEHM CCOC(=O)Cn1cccc([N-]S(=O)(=O)C[C@H](OCC)C2CC2)c1=O ZINC000600650821 491871524 /nfs/dbraw/zinc/87/15/24/491871524.db2.gz CBJNTPDQDQNDMX-AWEZNQCLSA-N -1 3 372.443 0.968 10 0 FCAEHM COC(=O)c1ccc(NC(=O)C[N-]S(=O)(=O)c2cccs2)cn1 ZINC000611881110 491880782 /nfs/dbraw/zinc/88/07/82/491880782.db2.gz OWNHJMLPJKYERK-UHFFFAOYSA-N -1 3 355.397 0.847 10 0 FCAEHM COC(=O)c1c([N-]C(=O)C(=O)NC[C@@H]2CCCO2)sc2c1CCOC2 ZINC000595095252 491883502 /nfs/dbraw/zinc/88/35/02/491883502.db2.gz HHQSEKFSMNEWKK-VIFPVBQESA-N -1 3 368.411 0.841 10 0 FCAEHM COC(=O)[C@@H](C[C@@H]1CCCOC1)NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000600839675 491886444 /nfs/dbraw/zinc/88/64/44/491886444.db2.gz XVUMUVKRAKMNCU-SWLSCSKDSA-N -1 3 364.398 0.597 10 0 FCAEHM COCCN(CCOc1ccc(F)cc1)C(=O)CN1CC(=O)[N-]C1=O ZINC000601007452 491892877 /nfs/dbraw/zinc/89/28/77/491892877.db2.gz KWTCBASMQDJCHQ-UHFFFAOYSA-N -1 3 353.350 0.231 10 0 FCAEHM O=C(c1cnc2n1CCOC2)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000612138364 491900003 /nfs/dbraw/zinc/90/00/03/491900003.db2.gz SMJRLPIZLFLTMA-UHFFFAOYSA-N -1 3 356.382 0.717 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-][C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000601344568 491906501 /nfs/dbraw/zinc/90/65/01/491906501.db2.gz WWJKKNZVVBCRIW-ZDUSSCGKSA-N -1 3 352.412 0.665 10 0 FCAEHM CCOC(=O)[C@@H](CCC(C)(C)C)[N-]S(=O)(=O)C[C@H]1CN(C)CCO1 ZINC000601391628 491912295 /nfs/dbraw/zinc/91/22/95/491912295.db2.gz SECCFZDNGJSUGH-ZIAGYGMSSA-N -1 3 364.508 0.994 10 0 FCAEHM COC(=O)C[C@]1([N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)CCOC1 ZINC000601394968 491912400 /nfs/dbraw/zinc/91/24/00/491912400.db2.gz ZUCXBHYQRYYYSZ-LLVKDONJSA-N -1 3 371.337 0.439 10 0 FCAEHM CC(C)(C)n1nnc(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)n1 ZINC000612381369 491913259 /nfs/dbraw/zinc/91/32/59/491913259.db2.gz CJTKNCWGRFXOLJ-UHFFFAOYSA-N -1 3 358.402 0.732 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-]C[C@H](N2CCOCC2)C(F)(F)F)CC1 ZINC000601415306 491915782 /nfs/dbraw/zinc/91/57/82/491915782.db2.gz SJWRPFLRTDVUDV-JTQLQIEISA-N -1 3 374.381 0.122 10 0 FCAEHM COC(=O)[C@@H](Cc1ccncc1)[N-]S(=O)(=O)CCC[C@H]1CCOC1 ZINC000601420767 491916859 /nfs/dbraw/zinc/91/68/59/491916859.db2.gz WQAIIYLCPLXTPC-LSDHHAIUSA-N -1 3 356.444 0.902 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2C(=O)NCC2(C)C)c(Cl)c1 ZINC000595351686 491923351 /nfs/dbraw/zinc/92/33/51/491923351.db2.gz MZCHINLMVBIMFD-NSHDSACASA-N -1 3 360.819 0.930 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-][C@H]2c3ccccc3CN(C)C2=O)CC1 ZINC000601473675 491925457 /nfs/dbraw/zinc/92/54/57/491925457.db2.gz IVQPBCFNUHUSHG-ZDUSSCGKSA-N -1 3 352.412 0.572 10 0 FCAEHM COC(=O)CCN1CCC[C@@H](N2CCC(c3n[n-]c(=O)o3)CC2)C1=O ZINC000595473270 491934401 /nfs/dbraw/zinc/93/44/01/491934401.db2.gz WBMFWCHVGIMLMK-GFCCVEGCSA-N -1 3 352.391 0.509 10 0 FCAEHM CC(C)(C)OC(=O)CN1CC[C@@H](N2CCC[C@@H](c3n[n-]c(=O)o3)C2)C1=O ZINC000595475266 491935316 /nfs/dbraw/zinc/93/53/16/491935316.db2.gz NXBMDAUJUYINAC-VXGBXAGGSA-N -1 3 366.418 0.897 10 0 FCAEHM C[C@@H](C(=O)NC(=O)Nc1ccccc1F)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000595883406 491958729 /nfs/dbraw/zinc/95/87/29/491958729.db2.gz AEESDCXSLAKATL-WVQJBOLRSA-N -1 3 365.361 0.895 10 0 FCAEHM O=C(CN1CCN(C2CC2)C1=O)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1 ZINC000613195153 491971991 /nfs/dbraw/zinc/97/19/91/491971991.db2.gz CGQAPONDDJDGJB-CQSZACIVSA-N -1 3 371.397 0.276 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)N1CC[C@@H](N2CCC2)[C@H](F)C1 ZINC000614108884 492015650 /nfs/dbraw/zinc/01/56/50/492015650.db2.gz XFGRXIHZSLDAOY-ZIAGYGMSSA-N -1 3 373.425 0.749 10 0 FCAEHM CN1CCN(c2cc(C(=O)N3CCC[C@H](c4n[n-]c(=O)o4)C3)ccn2)CC1 ZINC000614388800 492027567 /nfs/dbraw/zinc/02/75/67/492027567.db2.gz IHAMKFWQDSBVIO-AWEZNQCLSA-N -1 3 372.429 0.942 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)Nc2ccc3nccn3c2)cn1C ZINC000603882284 492044404 /nfs/dbraw/zinc/04/44/04/492044404.db2.gz ORLREDWAOONENV-UHFFFAOYSA-N -1 3 362.415 0.683 10 0 FCAEHM C[C@H](C(=O)[N-]c1nnc2[nH]cnn12)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000614990859 492067698 /nfs/dbraw/zinc/06/76/98/492067698.db2.gz HJKAUEBIMFPNIM-VIFPVBQESA-N -1 3 363.403 0.445 10 0 FCAEHM CNS(=O)(=O)c1ccc(O)c([N-]C(=O)c2nnn(C(C)(C)C)n2)c1 ZINC000615053914 492070702 /nfs/dbraw/zinc/07/07/02/492070702.db2.gz LBASKLFGDSHZNJ-UHFFFAOYSA-N -1 3 354.392 0.294 10 0 FCAEHM COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)CN1CC(=O)[N-]C1=O)CCC2 ZINC000598117808 492084249 /nfs/dbraw/zinc/08/42/49/492084249.db2.gz YPGFIQVUCBCOJX-CYBMUJFWSA-N -1 3 359.382 0.561 10 0 FCAEHM COc1ccccc1[C@H](NC(=O)CN1CC(=O)[N-]C1=O)c1noc(C)n1 ZINC000605518471 492097222 /nfs/dbraw/zinc/09/72/22/492097222.db2.gz OGPPXAKHVGNRAH-AWEZNQCLSA-N -1 3 359.342 0.144 10 0 FCAEHM COC(=O)[C@H]1C[C@@H](N(C)C(=O)CCn2[n-]c(=O)c3ccccc3c2=O)C1 ZINC000598430451 492097752 /nfs/dbraw/zinc/09/77/52/492097752.db2.gz JDSPRJHQERYWDJ-TXEJJXNPSA-N -1 3 359.382 0.902 10 0 FCAEHM COC(=O)[C@H]1C[C@@H](N(C)C(=O)CC[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000598431515 492098223 /nfs/dbraw/zinc/09/82/23/492098223.db2.gz CHGFODGKTICXAJ-TXEJJXNPSA-N -1 3 372.418 0.904 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CCN(c2ncns2)CC1 ZINC000615803945 492103895 /nfs/dbraw/zinc/10/38/95/492103895.db2.gz CYNDUITVMZZMBD-UHFFFAOYSA-N -1 3 373.485 0.227 10 0 FCAEHM CN(CC(=O)NCc1ccc([O-])c2ncccc12)[C@H]1CCS(=O)(=O)C1 ZINC000616024176 492115074 /nfs/dbraw/zinc/11/50/74/492115074.db2.gz ZHPAMJAQFORFDC-ZDUSSCGKSA-N -1 3 363.439 0.676 10 0 FCAEHM COC(=O)[C@H](c1cccc(OC)c1)N(C)C(=O)c1cn(C)c(=O)[n-]c1=O ZINC000598870074 492119845 /nfs/dbraw/zinc/11/98/45/492119845.db2.gz JNUUJAOFGPQTJT-ZDUSSCGKSA-N -1 3 361.354 0.481 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000606417604 492122008 /nfs/dbraw/zinc/12/20/08/492122008.db2.gz SPHYDCXGPXMSKB-QJPTWQEYSA-N -1 3 371.434 0.653 10 0 FCAEHM O=S1(=O)[N-]C(CN2CCN(C[C@@H]3CCCO3)CC2)=Nc2ccccc21 ZINC000606430578 492122415 /nfs/dbraw/zinc/12/24/15/492122415.db2.gz GTUUPLYRKBIQDK-AWEZNQCLSA-N -1 3 364.471 0.805 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]CCC(=O)NC(C)(C)C)on1 ZINC000599235499 492146801 /nfs/dbraw/zinc/14/68/01/492146801.db2.gz OWMQOULLXGWNEC-UHFFFAOYSA-N -1 3 361.420 0.576 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]C[C@](C)(O)CSC)on1 ZINC000599240905 492147863 /nfs/dbraw/zinc/14/78/63/492147863.db2.gz LRYCINBLEYBYOZ-LBPRGKRZSA-N -1 3 352.434 0.385 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]C2(CC(=O)OC)CCC2)on1 ZINC000599253057 492149349 /nfs/dbraw/zinc/14/93/49/492149349.db2.gz CIRQDZBSZHRXHW-UHFFFAOYSA-N -1 3 360.388 0.757 10 0 FCAEHM CCCn1c(=O)[n-]c(=O)c2c(C(=O)N[C@H]3CCNC3=O)cc(C(C)C)nc21 ZINC000616967340 492150282 /nfs/dbraw/zinc/15/02/82/492150282.db2.gz AARGMKPZOWBFLB-NSHDSACASA-N -1 3 373.413 0.649 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H](C)[C@H](CO)SC)on1 ZINC000599266719 492151473 /nfs/dbraw/zinc/15/14/73/492151473.db2.gz PSFJTYWTIYBEDU-KWQFWETISA-N -1 3 352.434 0.383 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@H]2CCC[C@@H]2C(=O)NC)on1 ZINC000599269073 492152025 /nfs/dbraw/zinc/15/20/25/492152025.db2.gz MTNCYYPAKRJOPN-QWRGUYRKSA-N -1 3 359.404 0.185 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)NC)on1 ZINC000599269072 492152228 /nfs/dbraw/zinc/15/22/28/492152228.db2.gz MTNCYYPAKRJOPN-MNOVXSKESA-N -1 3 359.404 0.185 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]C[C@@H](CO)c2cccnc2)on1 ZINC000599306298 492158270 /nfs/dbraw/zinc/15/82/70/492158270.db2.gz FESFIGBTBYSSAT-LBPRGKRZSA-N -1 3 369.399 0.442 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@H]2CCN(CC(F)F)C2)on1 ZINC000599325457 492160446 /nfs/dbraw/zinc/16/04/46/492160446.db2.gz DUOGEYDTZCBGQQ-VIFPVBQESA-N -1 3 367.374 0.610 10 0 FCAEHM C[C@@H]1C[C@H]([N-]S(=O)(=O)N2CCC[C@@H](C)C2)C(=O)N1c1cnn(C)c1 ZINC000608049562 492164293 /nfs/dbraw/zinc/16/42/93/492164293.db2.gz AAVYWIQSKIQSCO-BZPMIXESSA-N -1 3 355.464 0.480 10 0 FCAEHM C[C@@H]1C[C@H](NC(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)c2ncnn21 ZINC000617432937 492168520 /nfs/dbraw/zinc/16/85/20/492168520.db2.gz MIDBHSLMVMKFST-YGRLFVJLSA-N -1 3 366.381 0.672 10 0 FCAEHM COC(=O)[C@@H](Cc1cccc(OC)c1)[N-]S(=O)(=O)N(C)CC1CC1 ZINC000599405285 492168972 /nfs/dbraw/zinc/16/89/72/492168972.db2.gz TXLCYRYBYHRHPC-OAHLLOKOSA-N -1 3 356.444 0.956 10 0 FCAEHM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2COCCN2C)c(F)c1 ZINC000599452987 492174598 /nfs/dbraw/zinc/17/45/98/492174598.db2.gz DSSKPFWWBWRILC-GFCCVEGCSA-N -1 3 360.407 0.611 10 0 FCAEHM COC(=O)CCCS(=O)(=O)[N-][C@H](C[C@H]1CCCOC1)C(=O)OC ZINC000599460375 492176076 /nfs/dbraw/zinc/17/60/76/492176076.db2.gz MBLPNGBGVHYKKG-VXGBXAGGSA-N -1 3 351.421 0.217 10 0 FCAEHM COC(=O)CCNC(=O)CC[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000599476348 492178146 /nfs/dbraw/zinc/17/81/46/492178146.db2.gz PULLRTQBTOUPOX-UHFFFAOYSA-N -1 3 368.333 0.452 10 0 FCAEHM COC(=O)CCNC(=O)CC[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000599476298 492178166 /nfs/dbraw/zinc/17/81/66/492178166.db2.gz NUDBYVLIQQCOQV-UHFFFAOYSA-N -1 3 364.370 0.621 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCN(C3CCC3)C2=O)s1 ZINC000599525164 492183995 /nfs/dbraw/zinc/18/39/95/492183995.db2.gz IIQJXZNTGSEDGW-SNVBAGLBSA-N -1 3 358.441 0.966 10 0 FCAEHM CO[C@@]1(CO)CCCN(C(=O)CCn2[n-]c(=O)c3ccccc3c2=O)C1 ZINC000617793370 492191725 /nfs/dbraw/zinc/19/17/25/492191725.db2.gz YDJUFLRTKHJTHT-SFHVURJKSA-N -1 3 361.398 0.492 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)N1CC[C@@H](O)C(F)(F)C1 ZINC000617819069 492193745 /nfs/dbraw/zinc/19/37/45/492193745.db2.gz YWJFILKBNABJSK-GFCCVEGCSA-N -1 3 366.361 0.723 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2C[C@@H](C)C(=O)[C@H](C)C2)cn1C ZINC000618094581 492210760 /nfs/dbraw/zinc/21/07/60/492210760.db2.gz KNJGWZMZDIDJDF-GHMZBOCLSA-N -1 3 356.448 0.080 10 0 FCAEHM COC(=O)c1oc(C(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)[N-]C2=O)cc1C ZINC000599933684 492218568 /nfs/dbraw/zinc/21/85/68/492218568.db2.gz IFLDBRWIIINMCO-QGHHPUGFSA-N -1 3 363.370 0.967 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1C[C@@H](C)C(O)[C@H](C)C1 ZINC000618258707 492219034 /nfs/dbraw/zinc/21/90/34/492219034.db2.gz TZQCJRCNFUCIHC-UTUOFQBUSA-N -1 3 358.435 0.968 10 0 FCAEHM C[C@H]1CCC[C@@H](CNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)O1 ZINC000618571291 492231615 /nfs/dbraw/zinc/23/16/15/492231615.db2.gz ZACXLYJBUIFIFJ-IUCAKERBSA-N -1 3 360.208 0.785 10 0 FCAEHM C[C@H]1CCC[C@H](CNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)O1 ZINC000618571290 492231875 /nfs/dbraw/zinc/23/18/75/492231875.db2.gz ZACXLYJBUIFIFJ-DTWKUNHWSA-N -1 3 360.208 0.785 10 0 FCAEHM CCOC(=O)[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1c[nH]c(C(C)C)n1 ZINC000618703620 492235958 /nfs/dbraw/zinc/23/59/58/492235958.db2.gz MXMMPORCMSSHJA-UWVGGRQHSA-N -1 3 360.436 0.268 10 0 FCAEHM CN(C)S(=O)(=O)N1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000618716560 492236168 /nfs/dbraw/zinc/23/61/68/492236168.db2.gz SVFSSFKQCSJYFK-UHFFFAOYSA-N -1 3 364.427 0.092 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)Nc2ccc3c(c2)CCOC3)c1 ZINC000618843852 492241496 /nfs/dbraw/zinc/24/14/96/492241496.db2.gz NOWRPZASIPFJCG-UHFFFAOYSA-N -1 3 350.400 0.410 10 0 FCAEHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000600075292 492242003 /nfs/dbraw/zinc/24/20/03/492242003.db2.gz RYGIRFKKOWDKOF-DTORHVGOSA-N -1 3 353.400 0.504 10 0 FCAEHM COC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)CC[C@H]1NC(=O)[N-]C1=O ZINC000610397892 492244136 /nfs/dbraw/zinc/24/41/36/492244136.db2.gz CZTDZGUNMJJHBA-MCIONIFRSA-N -1 3 365.430 0.945 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)N[C@@H]1C[C@@H](O)C12CCC2 ZINC000619092805 492250042 /nfs/dbraw/zinc/25/00/42/492250042.db2.gz FISYMFTUBHVPDC-ZIAGYGMSSA-N -1 3 356.419 0.914 10 0 FCAEHM COC(=O)COCCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000600399843 492266961 /nfs/dbraw/zinc/26/69/61/492266961.db2.gz SLDXLLWVJOFCRF-ZDUSSCGKSA-N -1 3 350.371 0.303 10 0 FCAEHM COC(=O)[C@H](C[C@H]1CCCOC1)NC(=O)CNC(=O)c1cccc([O-])c1 ZINC000600453180 492270736 /nfs/dbraw/zinc/27/07/36/492270736.db2.gz FDMIFIAZFAAKCQ-DOMZBBRYSA-N -1 3 364.398 0.597 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCOc3ccc(O)cc3C2)cn1 ZINC000620344251 492304587 /nfs/dbraw/zinc/30/45/87/492304587.db2.gz MUPGABXYTXSEFN-UHFFFAOYSA-N -1 3 363.395 0.730 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)N1CCO[C@@H](C(F)F)CC1 ZINC000634155528 492322268 /nfs/dbraw/zinc/32/22/68/492322268.db2.gz ZCGCSCLYGDRKIW-LLVKDONJSA-N -1 3 366.361 0.987 10 0 FCAEHM CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647581184 492323102 /nfs/dbraw/zinc/32/31/02/492323102.db2.gz ROWLEJYABMPDND-XHSDSOJGSA-N -1 3 361.442 0.645 10 0 FCAEHM O=C(c1cc(F)cc2[n-]nnc21)N1CCN(CCc2cnccn2)CC1 ZINC000634509620 492347597 /nfs/dbraw/zinc/34/75/97/492347597.db2.gz SZHUOTRXXYIFTM-UHFFFAOYSA-N -1 3 355.377 0.888 10 0 FCAEHM O=C(c1cc(F)cc2nn[n-]c21)N1CCN(CCc2cnccn2)CC1 ZINC000634509620 492347601 /nfs/dbraw/zinc/34/76/01/492347601.db2.gz SZHUOTRXXYIFTM-UHFFFAOYSA-N -1 3 355.377 0.888 10 0 FCAEHM O=C(c1cc(F)cc2n[n-]nc21)N1CCN(CCc2cnccn2)CC1 ZINC000634509620 492347605 /nfs/dbraw/zinc/34/76/05/492347605.db2.gz SZHUOTRXXYIFTM-UHFFFAOYSA-N -1 3 355.377 0.888 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCc1cccc(CO)n1 ZINC000655057950 492397230 /nfs/dbraw/zinc/39/72/30/492397230.db2.gz ZJCZUQGEVVKZHR-NSHDSACASA-N -1 3 367.402 0.696 10 0 FCAEHM CCn1nnc(C)c1CNC(=O)C[N-]S(=O)(=O)c1ccccc1F ZINC000627876364 492410471 /nfs/dbraw/zinc/41/04/71/492410471.db2.gz QGXGUUKCZQNYMZ-UHFFFAOYSA-N -1 3 355.395 0.340 10 0 FCAEHM CO[C@](C)(CO)CNC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000655210466 492414049 /nfs/dbraw/zinc/41/40/49/492414049.db2.gz QCOFJTWUIDOPEF-SFHVURJKSA-N -1 3 360.414 0.587 10 0 FCAEHM CNC(=O)[C@H](CNC(=O)c1cc(=O)[n-]cn1)Cc1ccc(OC)c(F)c1 ZINC000627904812 492417014 /nfs/dbraw/zinc/41/70/14/492417014.db2.gz NXAZOKFMJNZOFT-NSHDSACASA-N -1 3 362.361 0.665 10 0 FCAEHM Cn1ncnc1CCCNC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000627904067 492417467 /nfs/dbraw/zinc/41/74/67/492417467.db2.gz MNSWETFARPCGAR-UHFFFAOYSA-N -1 3 357.461 0.294 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NC2CC(N3CCOCC3)C2)c(C)o1 ZINC000627934900 492423912 /nfs/dbraw/zinc/42/39/12/492423912.db2.gz IAAUXZDAYXKJNF-UHFFFAOYSA-N -1 3 357.432 0.089 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCOc2cccc(Br)c2C1 ZINC000655319834 492435318 /nfs/dbraw/zinc/43/53/18/492435318.db2.gz ZCPBEASUIGIPOP-JTQLQIEISA-N -1 3 368.187 0.768 10 0 FCAEHM NC(=O)c1cn(C2CN(C(=O)c3cc([O-])cc(C(F)(F)F)c3)C2)nn1 ZINC000621954126 492435729 /nfs/dbraw/zinc/43/57/29/492435729.db2.gz JBTGBJILHRBQQX-UHFFFAOYSA-N -1 3 355.276 0.799 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)NC[C@H]2CCC3(CCCC3)O2)cn1C ZINC000655367712 492438676 /nfs/dbraw/zinc/43/86/76/492438676.db2.gz IRAKFEMBARFMED-CYBMUJFWSA-N -1 3 370.475 0.615 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)N1CCOC[C@H]1C(F)(F)F ZINC000648792799 492457024 /nfs/dbraw/zinc/45/70/24/492457024.db2.gz ZQELWTOJHUWEIH-NSHDSACASA-N -1 3 370.324 0.894 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@H](C[C@H]2CCCO2)C(F)(F)F)cc1C(N)=O ZINC000655661099 492474671 /nfs/dbraw/zinc/47/46/71/492474671.db2.gz AVWZNRWXTQSEET-LDYMZIIASA-N -1 3 369.365 0.902 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)NCC[C@@H]2CCCOC2)cn1C ZINC000628306312 492492742 /nfs/dbraw/zinc/49/27/42/492492742.db2.gz VLWITLAXMPIVOQ-ZDUSSCGKSA-N -1 3 358.464 0.330 10 0 FCAEHM O=C(NC1CC1)c1nn[n-]c1NC(=O)c1cccc(Cn2ccnn2)c1 ZINC000622883472 492492917 /nfs/dbraw/zinc/49/29/17/492492917.db2.gz ZMIJZAQVNAIRDU-UHFFFAOYSA-N -1 3 352.358 0.589 10 0 FCAEHM O=C(NC1CC1)c1[n-]nnc1NC(=O)c1cccc(Cn2ccnn2)c1 ZINC000622883472 492492920 /nfs/dbraw/zinc/49/29/20/492492920.db2.gz ZMIJZAQVNAIRDU-UHFFFAOYSA-N -1 3 352.358 0.589 10 0 FCAEHM O=C(NC1CC1)c1n[n-]nc1NC(=O)c1cccc(Cn2ccnn2)c1 ZINC000622883472 492492924 /nfs/dbraw/zinc/49/29/24/492492924.db2.gz ZMIJZAQVNAIRDU-UHFFFAOYSA-N -1 3 352.358 0.589 10 0 FCAEHM C[C@@H](NC(=O)C(=O)N1CCC[C@H](N(C)C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656015051 492517493 /nfs/dbraw/zinc/51/74/93/492517493.db2.gz QGQHEGFSJNVYBI-ZOBORPQBSA-N -1 3 353.463 0.791 10 0 FCAEHM C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C[C@@H]1C(=O)[O-] ZINC000656021070 492519004 /nfs/dbraw/zinc/51/90/04/492519004.db2.gz ZWACMFXRJVLJCB-LXTVHRRPSA-N -1 3 351.447 0.689 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2c(C(=O)N[C@@H]3Cc4cncn4C3)cc(C3CC3)nc21 ZINC000623276265 492536995 /nfs/dbraw/zinc/53/69/95/492536995.db2.gz YSKNHQRVSUDSHQ-SNVBAGLBSA-N -1 3 366.381 0.463 10 0 FCAEHM NC(=O)[C@H]1C[C@H](NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000628780365 492545760 /nfs/dbraw/zinc/54/57/60/492545760.db2.gz UREBQUGRQFDAQP-LJGSYFOKSA-N -1 3 351.837 0.060 10 0 FCAEHM CC(C)Nc1nc(NCCO)nc(N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)n1 ZINC000649404002 492550784 /nfs/dbraw/zinc/55/07/84/492550784.db2.gz YIGJBABWGNUEEX-KGLIPLIRSA-N -1 3 372.429 0.087 10 0 FCAEHM CC(C)Nc1nc(NCCO)nc(N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)n1 ZINC000649404004 492551362 /nfs/dbraw/zinc/55/13/62/492551362.db2.gz YIGJBABWGNUEEX-ZIAGYGMSSA-N -1 3 372.429 0.087 10 0 FCAEHM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)[N-]C(C)(C)C(C)(F)F)cnc21 ZINC000656186219 492563275 /nfs/dbraw/zinc/56/32/75/492563275.db2.gz LFGVDDBISLYDBZ-UHFFFAOYSA-N -1 3 362.358 0.746 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)cn1C ZINC000628949360 492570767 /nfs/dbraw/zinc/57/07/67/492570767.db2.gz MVNIIJYMKGRBIC-DDIVZENXSA-N -1 3 358.464 0.325 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000629007126 492573186 /nfs/dbraw/zinc/57/31/86/492573186.db2.gz AWYLYUSKUUSGPI-LBPRGKRZSA-N -1 3 361.402 0.716 10 0 FCAEHM CCOc1ccncc1S(=O)(=O)[N-]CCCN1CCCS1(=O)=O ZINC000649721600 492576022 /nfs/dbraw/zinc/57/60/22/492576022.db2.gz GSYUWUYEBCNNCO-UHFFFAOYSA-N -1 3 363.461 0.184 10 0 FCAEHM C[C@@]1(c2ccc(C(=O)N3C[C@@H]4CCC[C@]4(CO)C3)cc2)NC(=O)[N-]C1=O ZINC000629088709 492576843 /nfs/dbraw/zinc/57/68/43/492576843.db2.gz BIFXHFOZEMNQQZ-ZOCIIQOWSA-N -1 3 357.410 0.976 10 0 FCAEHM CN(C)CCN1CCN(C(=O)N=c2nc(-c3ccccc3)[n-]s2)CC1=O ZINC000649994215 492604458 /nfs/dbraw/zinc/60/44/58/492604458.db2.gz YCYHQSJEWXQGPP-UHFFFAOYSA-N -1 3 374.470 0.865 10 0 FCAEHM NC(=O)[C@H]1C[C@@H](NC(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C1 ZINC000650110705 492614552 /nfs/dbraw/zinc/61/45/52/492614552.db2.gz CFTKSUUVHLJIBC-DKTWLAJQSA-N -1 3 370.406 0.652 10 0 FCAEHM C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1cccnc1)C(C)(C)O ZINC000656383445 492619129 /nfs/dbraw/zinc/61/91/29/492619129.db2.gz QYAMWLARHMIHPA-LLVKDONJSA-N -1 3 365.477 0.292 10 0 FCAEHM NC(=O)C[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CCO1 ZINC000629395485 492620075 /nfs/dbraw/zinc/62/00/75/492620075.db2.gz QQYGCNCSRWUDPQ-JSGCOSHPSA-N -1 3 361.398 0.100 10 0 FCAEHM C[C@]12COC[C@H]1CN([C@@H]1CC(=O)N(Cc3ccc(C(=O)[O-])cc3)C1=O)C2 ZINC000656479546 492625298 /nfs/dbraw/zinc/62/52/98/492625298.db2.gz ZABFUYQWKIRMQC-CLCXKQKWSA-N -1 3 358.394 0.981 10 0 FCAEHM COCc1ccc(NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)cc1OC ZINC000629496255 492636267 /nfs/dbraw/zinc/63/62/67/492636267.db2.gz OZEPMFVWCFIIKI-UHFFFAOYSA-N -1 3 368.415 0.492 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]c1ccc2n[nH]c(C(N)=O)c2c1)[C@H]1CCOC1 ZINC000656627090 492639408 /nfs/dbraw/zinc/63/94/08/492639408.db2.gz SBSXKRRFJHIQKB-TVQRCGJNSA-N -1 3 368.415 0.455 10 0 FCAEHM COC1CCN(S(=O)(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)CC1 ZINC000656630603 492639718 /nfs/dbraw/zinc/63/97/18/492639718.db2.gz AILIKYYKHRWTMX-UHFFFAOYSA-N -1 3 370.431 0.350 10 0 FCAEHM COC1CCN(S(=O)(=O)[N-]c2cc3c(cc2O)n(C)c(=O)n3C)CC1 ZINC000656630603 492639721 /nfs/dbraw/zinc/63/97/21/492639721.db2.gz AILIKYYKHRWTMX-UHFFFAOYSA-N -1 3 370.431 0.350 10 0 FCAEHM C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C[NH2+]1 ZINC000624406862 492646168 /nfs/dbraw/zinc/64/61/68/492646168.db2.gz NQXBSULIIZRLIG-GXSJLCMTSA-N -1 3 365.452 0.616 10 0 FCAEHM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C[NH2+]1 ZINC000624406865 492646387 /nfs/dbraw/zinc/64/63/87/492646387.db2.gz NQXBSULIIZRLIG-ONGXEEELSA-N -1 3 365.452 0.616 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]c1cc(-n2cnnn2)ccc1C)[C@@H]1CCOC1 ZINC000656732891 492647691 /nfs/dbraw/zinc/64/76/91/492647691.db2.gz YHHVJSIXQWMJMA-DOMZBBRYSA-N -1 3 367.431 0.764 10 0 FCAEHM C[C@@]1(CCF)NC(=O)N(Cc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)C1=O ZINC000656800282 492649211 /nfs/dbraw/zinc/64/92/11/492649211.db2.gz NCUTXAWZYAOKEY-IRXDYDNUSA-N -1 3 362.361 0.911 10 0 FCAEHM CN1CCN(c2ccnc(-c3noc([C@@H]4CCS(=O)(=O)[N-]4)n3)c2)CC1 ZINC000650568154 492651451 /nfs/dbraw/zinc/65/14/51/492651451.db2.gz RTACGJZAJQHHAP-LBPRGKRZSA-N -1 3 364.431 0.248 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]CC(=O)N(C)Cc1ccccc1)[C@H]1CCOC1 ZINC000656880081 492659134 /nfs/dbraw/zinc/65/91/34/492659134.db2.gz FBPJZDSWAUHVQH-HOTGVXAUSA-N -1 3 370.471 0.616 10 0 FCAEHM Cc1n[nH]c(C)c1[N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]1C[C@H]1C ZINC000629629092 492660521 /nfs/dbraw/zinc/66/05/21/492660521.db2.gz LBCGIOUDTWDMJA-LDYMZIIASA-N -1 3 350.466 0.486 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@@H](C)C(=O)Nc1ccccc1)[C@@H]1CCOC1 ZINC000656900697 492663148 /nfs/dbraw/zinc/66/31/48/492663148.db2.gz IQNVZDSOSDRTNM-GZBFAFLISA-N -1 3 356.444 0.985 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000629757161 492665066 /nfs/dbraw/zinc/66/50/66/492665066.db2.gz BQNUCPQFKNOXPR-HTTKSJEASA-N -1 3 356.419 0.864 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@H](CO)c1cc(F)ccc1F)[C@H]1CCOC1 ZINC000656909886 492666779 /nfs/dbraw/zinc/66/67/79/492666779.db2.gz IUUBJDGCZDQZCZ-COLVAYQJSA-N -1 3 365.398 0.969 10 0 FCAEHM COCCN1CCCN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)CC1 ZINC000624619388 492666971 /nfs/dbraw/zinc/66/69/71/492666971.db2.gz BILBXENGGWPMRH-UHFFFAOYSA-N -1 3 356.448 0.247 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]CC1(O)Cc2ccccc2C1)[C@@H]1CCOC1 ZINC000656913734 492667844 /nfs/dbraw/zinc/66/78/44/492667844.db2.gz HNZDZGVDWIJCLK-HZPDHXFCSA-N -1 3 355.456 0.487 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]CC(=O)N(C)C1CCCCC1)[C@H]1CCOC1 ZINC000656926417 492670082 /nfs/dbraw/zinc/67/00/82/492670082.db2.gz DSSHVBOKJIXQIC-ZFWWWQNUSA-N -1 3 362.492 0.748 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]CC(=O)N(C)C1CCCCC1)[C@@H]1CCOC1 ZINC000656926416 492670106 /nfs/dbraw/zinc/67/01/06/492670106.db2.gz DSSHVBOKJIXQIC-UKRRQHHQSA-N -1 3 362.492 0.748 10 0 FCAEHM CNC(=O)[C@@H]([N-]S(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2)C(C)C ZINC000656940206 492674704 /nfs/dbraw/zinc/67/47/04/492674704.db2.gz UXHPZVKVVVPCOQ-AWEZNQCLSA-N -1 3 373.500 0.702 10 0 FCAEHM CN1CC[C@@](O)(C[N-]S(=O)(=O)c2ncccc2Br)C1 ZINC000656960656 492679333 /nfs/dbraw/zinc/67/93/33/492679333.db2.gz MFVKFJXESPEQPT-LLVKDONJSA-N -1 3 350.238 0.189 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@@](C)(c1noc(C)n1)C1CC1)[C@@H]1CCOC1 ZINC000656996185 492689546 /nfs/dbraw/zinc/68/95/46/492689546.db2.gz MPTIGXXKELNWRC-UXIGCNINSA-N -1 3 359.448 0.974 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@](C)(c1noc(C)n1)C1CC1)[C@@H]1CCOC1 ZINC000656996182 492689719 /nfs/dbraw/zinc/68/97/19/492689719.db2.gz MPTIGXXKELNWRC-KYOSRNDESA-N -1 3 359.448 0.974 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@@H](C)C(=O)Nc1cccnc1C)[C@@H]1CCOC1 ZINC000657009990 492693118 /nfs/dbraw/zinc/69/31/18/492693118.db2.gz MHPXRBUSQLGOAV-GZBFAFLISA-N -1 3 371.459 0.688 10 0 FCAEHM COC[C@@]1(C)CN(C(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)CCO1 ZINC000629905540 492699225 /nfs/dbraw/zinc/69/92/25/492699225.db2.gz NJFSULRTRCRIFH-LJQANCHMSA-N -1 3 373.409 0.522 10 0 FCAEHM C[C@@]1(c2cccc(C(=O)N[C@H]3CCN(C4CCC4)C3=O)c2)NC(=O)[N-]C1=O ZINC000629926553 492705426 /nfs/dbraw/zinc/70/54/26/492705426.db2.gz SZRVHADDFDYFCC-LIRRHRJNSA-N -1 3 370.409 0.624 10 0 FCAEHM O=S(=O)([N-]C[C@]1(OCCO)CCOC1)c1cc(F)c(F)c(F)c1 ZINC000657087627 492713680 /nfs/dbraw/zinc/71/36/80/492713680.db2.gz WIRBQGHQWXAYAI-CYBMUJFWSA-N -1 3 355.334 0.550 10 0 FCAEHM O=S(=O)(Cc1noc2ccccc21)[N-]C[C@@]1(OCCO)CCOC1 ZINC000657087421 492713840 /nfs/dbraw/zinc/71/38/40/492713840.db2.gz TXTIJUZJQXVQCV-HNNXBMFYSA-N -1 3 356.400 0.415 10 0 FCAEHM CO[C@@H]1CS(=O)(=O)C[C@@H]1[N-]S(=O)(=O)C[C@H](C)CC(F)(F)F ZINC000657100160 492719108 /nfs/dbraw/zinc/71/91/08/492719108.db2.gz KHOPDDOFCGLXNC-HRDYMLBCSA-N -1 3 353.384 0.306 10 0 FCAEHM CO[C@H]1CS(=O)(=O)C[C@@H]1[N-]S(=O)(=O)CC1Cc2ccccc2C1 ZINC000657101144 492720249 /nfs/dbraw/zinc/72/02/49/492720249.db2.gz QJUGZWIJTACWTC-GJZGRUSLSA-N -1 3 359.469 0.133 10 0 FCAEHM CO[C@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000657102021 492720812 /nfs/dbraw/zinc/72/08/12/492720812.db2.gz WIXIGKXHSDUVSC-MNOVXSKESA-N -1 3 371.839 0.878 10 0 FCAEHM COCc1ccccc1CS(=O)(=O)[N-][C@@H]1CS(=O)(=O)C[C@@H]1OC ZINC000657102281 492721807 /nfs/dbraw/zinc/72/18/07/492721807.db2.gz YWPLCMKZWBJOMB-KGLIPLIRSA-N -1 3 363.457 0.064 10 0 FCAEHM COCc1nc(C[N-]S(=O)(=O)c2ncccc2Br)n[nH]1 ZINC000657103756 492721986 /nfs/dbraw/zinc/72/19/86/492721986.db2.gz JKBHIWZJJWHWGG-UHFFFAOYSA-N -1 3 362.209 0.587 10 0 FCAEHM COCc1nc(C[N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)n[nH]1 ZINC000657104995 492723206 /nfs/dbraw/zinc/72/32/06/492723206.db2.gz WMRAENFZVGDTTA-UHFFFAOYSA-N -1 3 374.806 0.854 10 0 FCAEHM COCc1nc(C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)n[nH]1 ZINC000657104400 492723347 /nfs/dbraw/zinc/72/33/47/492723347.db2.gz OZXYRPZUDBPUQN-UHFFFAOYSA-N -1 3 351.310 0.843 10 0 FCAEHM O=c1[nH]c2cc(F)c(S(=O)(=O)[N-]CCO[C@@H]3CC3(F)F)cc2o1 ZINC000657119307 492724805 /nfs/dbraw/zinc/72/48/05/492724805.db2.gz QUSWQIXDNLYWKS-SNVBAGLBSA-N -1 3 352.290 0.963 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]CC(=O)N1CCOCC1)c1ccc(F)cc1 ZINC000625110370 492725048 /nfs/dbraw/zinc/72/50/48/492725048.db2.gz CKYVQJWEOVNGSO-CQSZACIVSA-N -1 3 360.407 0.291 10 0 FCAEHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H]2CC[C@@H](C)S(=O)(=O)C2)s1 ZINC000657138234 492731044 /nfs/dbraw/zinc/73/10/44/492731044.db2.gz VGWYIFGVKPRJAQ-VXNVDRBHSA-N -1 3 367.474 0.346 10 0 FCAEHM CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]C[C@@]1(O)CCO[C@@H]1C ZINC000625165692 492732778 /nfs/dbraw/zinc/73/27/78/492732778.db2.gz OYOQEWLGBXNGTP-WQVCFCJDSA-N -1 3 361.435 0.843 10 0 FCAEHM O=C(NCC[C@@]1(O)CCOC1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000651278586 492733285 /nfs/dbraw/zinc/73/32/85/492733285.db2.gz YGMIKCONHZILNJ-GOSISDBHSA-N -1 3 363.414 0.401 10 0 FCAEHM CC(C)(C)[C@H](O)C[C@H](CO)[N-]S(=O)(=O)c1cnnn1-c1ccccc1 ZINC000625192776 492736835 /nfs/dbraw/zinc/73/68/35/492736835.db2.gz IMOLABXXQNQTCI-TZMCWYRMSA-N -1 3 368.459 0.704 10 0 FCAEHM CCO[C@H](CS(=O)(=O)[N-]C[C@@H](N1CCOCC1)C(F)(F)F)C1CC1 ZINC000625215096 492739853 /nfs/dbraw/zinc/73/98/53/492739853.db2.gz QXXLPTVGNMIPEA-CHWSQXEVSA-N -1 3 374.425 0.984 10 0 FCAEHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@H]2C[C@@H](O)C23CCC3)cc1F ZINC000657191172 492740689 /nfs/dbraw/zinc/74/06/89/492740689.db2.gz ZLVOOQZSONGFDS-QWHCGFSZSA-N -1 3 363.432 0.811 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)C2(N3CCOCC3)CC2)s1 ZINC000630646080 492758123 /nfs/dbraw/zinc/75/81/23/492758123.db2.gz UFKVDBHUMNXUAC-UHFFFAOYSA-N -1 3 359.473 0.137 10 0 FCAEHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1C[C@H](C(N)=O)C1 ZINC000625428940 492781540 /nfs/dbraw/zinc/78/15/40/492781540.db2.gz PHCPWVMKCUMAMF-XWEPSHTISA-N -1 3 363.233 1.000 10 0 FCAEHM O=S(=O)([N-]CCNCc1cn(C[C@H]2CCOC2)nn1)c1cccs1 ZINC000631099810 492797494 /nfs/dbraw/zinc/79/74/94/492797494.db2.gz ZEEZFRLPXWTHFU-GFCCVEGCSA-N -1 3 371.488 0.444 10 0 FCAEHM O=S(=O)([N-]CCNCc1cn(C[C@@H]2CCOC2)nn1)c1cccs1 ZINC000631099814 492797592 /nfs/dbraw/zinc/79/75/92/492797592.db2.gz ZEEZFRLPXWTHFU-LBPRGKRZSA-N -1 3 371.488 0.444 10 0 FCAEHM CC[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C(N)=O ZINC000644691933 492798981 /nfs/dbraw/zinc/79/89/81/492798981.db2.gz GFMCYJXZZNVOIN-LLVKDONJSA-N -1 3 368.390 0.948 10 0 FCAEHM CCO[C@H]1C[C@@](O)(C[N-]S(=O)(=O)CC2(OC)CCOCC2)C1(C)C ZINC000651666901 492804379 /nfs/dbraw/zinc/80/43/79/492804379.db2.gz RKKUKFYYTRLPPZ-XJKSGUPXSA-N -1 3 365.492 0.668 10 0 FCAEHM C[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F)[C@H](O)C(F)(F)F ZINC000644738983 492804492 /nfs/dbraw/zinc/80/44/92/492804492.db2.gz BNVYVPWZIGGFFQ-FYBVGQRMSA-N -1 3 372.340 0.920 10 0 FCAEHM COc1cc(C)c(C)cc1NC(=O)C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000657868100 492805828 /nfs/dbraw/zinc/80/58/28/492805828.db2.gz RUQKCMAFCVTFDA-GFCCVEGCSA-N -1 3 360.370 0.013 10 0 FCAEHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)CC2(OC)CCOCC2)[C@H]1n1cccn1 ZINC000651720970 492812593 /nfs/dbraw/zinc/81/25/93/492812593.db2.gz PKUMOFXDARAOAQ-RRFJBIMHSA-N -1 3 373.475 0.717 10 0 FCAEHM CS(=O)(=O)N1CC[C@@H](N=c2cc(-c3ccccc3)n3[n-]cnc3n2)C1 ZINC000631329396 492813818 /nfs/dbraw/zinc/81/38/18/492813818.db2.gz MCAVRBJFBPUTPO-CYBMUJFWSA-N -1 3 358.427 0.659 10 0 FCAEHM Cn1c(=O)ccc2c1CCC[C@@H]2[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000651940902 492851101 /nfs/dbraw/zinc/85/11/01/492851101.db2.gz FBVHQXMIUZCMSE-LBPRGKRZSA-N -1 3 364.427 0.720 10 0 FCAEHM CCc1cccc(NC(=O)C[N-]S(=O)(=O)[C@@H]2CC(=O)N(C3CC3)C2)c1 ZINC000631873798 492867489 /nfs/dbraw/zinc/86/74/89/492867489.db2.gz WHWMXKCSTKABPS-OAHLLOKOSA-N -1 3 365.455 0.870 10 0 FCAEHM CN(C)C(=O)[C@H]1CCCN1CCCNS(=O)(=O)c1cc([O-])cc(F)c1 ZINC000631879635 492868368 /nfs/dbraw/zinc/86/83/68/492868368.db2.gz CBSTTXSAJJWSBH-OAHLLOKOSA-N -1 3 373.450 0.752 10 0 FCAEHM Cc1ccc(NC(=O)C[N-]S(=O)(=O)C[C@@H]2CNCCO2)c(Cl)c1 ZINC000631915053 492880537 /nfs/dbraw/zinc/88/05/37/492880537.db2.gz CXSQTSNUKHIZRJ-NSHDSACASA-N -1 3 361.851 0.495 10 0 FCAEHM O=C1[C@H]([N-]S(=O)(=O)C[C@@H]2CNCCO2)CCCN1c1ccccc1 ZINC000631920308 492885262 /nfs/dbraw/zinc/88/52/62/492885262.db2.gz XCGULNINOQUYJG-LSDHHAIUSA-N -1 3 353.444 0.090 10 0 FCAEHM O=C1[C@@H]([N-]S(=O)(=O)C[C@H]2CNCCO2)CCN1c1cccc(Cl)c1 ZINC000631925607 492887669 /nfs/dbraw/zinc/88/76/69/492887669.db2.gz CEKTUIHBBBTXGC-KGLIPLIRSA-N -1 3 373.862 0.353 10 0 FCAEHM Cn1cnnc1S(=O)(=O)[N-]Cc1cccc(COC2CCOCC2)c1 ZINC000631947317 492894930 /nfs/dbraw/zinc/89/49/30/492894930.db2.gz ZOMOQBBOCZXCMM-UHFFFAOYSA-N -1 3 366.443 0.989 10 0 FCAEHM O=S(=O)(C[C@@H]1CNCCO1)[N-][C@H](Cc1ccccc1)c1ncco1 ZINC000631949771 492896264 /nfs/dbraw/zinc/89/62/64/492896264.db2.gz OYNJFMKJXGLTOE-LSDHHAIUSA-N -1 3 351.428 0.866 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]C[C@@H](O)COCC1CC1 ZINC000632005839 492909138 /nfs/dbraw/zinc/90/91/38/492909138.db2.gz GPKYGDYTYXHKKR-SECBINFHSA-N -1 3 357.354 0.505 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]CC(=O)Nc1ccccc1)C1CCOCC1 ZINC000645510448 492917749 /nfs/dbraw/zinc/91/77/49/492917749.db2.gz XMKOPMZHDBBHPF-OAHLLOKOSA-N -1 3 356.444 0.986 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CCN2CCOC[C@H]2C)coc1C(=O)N(C)C ZINC000645518037 492919374 /nfs/dbraw/zinc/91/93/74/492919374.db2.gz GNCOHTCOBGGXNF-LLVKDONJSA-N -1 3 359.448 0.289 10 0 FCAEHM O=C1C[C@H](S(=O)(=O)[N-][C@H]2CCN(C3CCCCC3)C2=O)CN1C1CC1 ZINC000632112430 492932572 /nfs/dbraw/zinc/93/25/72/492932572.db2.gz BUMRANCKAPSZHU-GJZGRUSLSA-N -1 3 369.487 0.603 10 0 FCAEHM O=C(NCCNC(=O)c1ccnc(N2CCOCC2)n1)c1ccc([O-])cc1 ZINC000626191569 492945585 /nfs/dbraw/zinc/94/55/85/492945585.db2.gz RETZPMCMNYPMGK-UHFFFAOYSA-N -1 3 371.397 0.179 10 0 FCAEHM Cc1oc(S(C)(=O)=O)cc1C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000626191378 492945596 /nfs/dbraw/zinc/94/55/96/492945596.db2.gz GHCDMANEVWHXGP-UHFFFAOYSA-N -1 3 366.395 0.857 10 0 FCAEHM CN(C)C1(CS(=O)(=O)[N-][C@@H]2CCCN(c3cccnc3)C2=O)CC1 ZINC000632203876 492950296 /nfs/dbraw/zinc/95/02/96/492950296.db2.gz ZBHFHDSIWUITQJ-CQSZACIVSA-N -1 3 352.460 0.591 10 0 FCAEHM CN1CCO[C@H](CS(=O)(=O)[N-]Cc2ncc(-c3ccccc3)cn2)C1 ZINC000632214668 492951102 /nfs/dbraw/zinc/95/11/02/492951102.db2.gz IAZMQRHTNBCUAX-INIZCTEOSA-N -1 3 362.455 0.894 10 0 FCAEHM CNC(=O)[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000645635248 492951161 /nfs/dbraw/zinc/95/11/61/492951161.db2.gz IXLKKYFICJXYRC-QWRGUYRKSA-N -1 3 357.432 0.483 10 0 FCAEHM CCN(C)C(=O)C[N-]S(=O)(=O)Cc1ncsc1Br ZINC000632235207 492954501 /nfs/dbraw/zinc/95/45/01/492954501.db2.gz OQRBBEXSIOHQHB-UHFFFAOYSA-N -1 3 356.267 0.803 10 0 FCAEHM O=C(Nc1ccccc1)C1([N-]S(=O)(=O)[C@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000632244266 492956372 /nfs/dbraw/zinc/95/63/72/492956372.db2.gz GERQHPXFKXVGCD-AWEZNQCLSA-N -1 3 363.439 0.840 10 0 FCAEHM O=C1[N-]C(=O)[C@@]2(CCCN(S(=O)(=O)CCCC3CCOCC3)C2)N1 ZINC000645686602 492960051 /nfs/dbraw/zinc/96/00/51/492960051.db2.gz BKBVRWHBDKTDBX-HNNXBMFYSA-N -1 3 359.448 0.197 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]C[C@@H](C)N2CCCCC2=O)coc1C(=O)N(C)C ZINC000645692482 492960978 /nfs/dbraw/zinc/96/09/78/492960978.db2.gz ZWZSSCGKRUBIPW-LLVKDONJSA-N -1 3 371.459 0.969 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@@H](C(C)C)[C@H](O)C(F)(F)F)[C@H]1CCOC1 ZINC000632306199 492969386 /nfs/dbraw/zinc/96/93/86/492969386.db2.gz NEWVJMRPLRBRRW-USZNOCQGSA-N -1 3 363.398 0.905 10 0 FCAEHM C[C@@H]1CCNC(=O)[C@H]1[N-]S(=O)(=O)Cc1ncsc1Br ZINC000632305527 492969404 /nfs/dbraw/zinc/96/94/04/492969404.db2.gz XBYKBPLIOCWSBR-SVRRBLITSA-N -1 3 368.278 0.850 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]Cc1n[nH]c(C(C)(C)C)n1)C1CCOCC1 ZINC000645753860 492970483 /nfs/dbraw/zinc/97/04/83/492970483.db2.gz KVITYVYKJWQHOB-GFCCVEGCSA-N -1 3 360.480 0.963 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CCCc2ncn(C)n2)coc1C(=O)N(C)C ZINC000645804008 492975615 /nfs/dbraw/zinc/97/56/15/492975615.db2.gz XGMCOJVWYAYQES-UHFFFAOYSA-N -1 3 355.420 0.329 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)NC[C@H]2COCCN2C)ccc1F ZINC000626559563 492993670 /nfs/dbraw/zinc/99/36/70/492993670.db2.gz HCIOCFJNCHMZLH-NSHDSACASA-N -1 3 360.411 0.186 10 0 FCAEHM CCN1C[C@H](S(=O)(=O)[N-]CC(=O)C2CCC(F)(F)CC2)CC1=O ZINC000632479159 493006250 /nfs/dbraw/zinc/00/62/50/493006250.db2.gz APSALUOSXOJDCP-LLVKDONJSA-N -1 3 352.403 0.921 10 0 FCAEHM Cn1cnc(CCC[N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)n1 ZINC000632498676 493013331 /nfs/dbraw/zinc/01/33/31/493013331.db2.gz VKPHOFLNBVEDBG-UHFFFAOYSA-N -1 3 352.342 0.479 10 0 FCAEHM CC(C)n1ncnc1CNC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000626751438 493013492 /nfs/dbraw/zinc/01/34/92/493013492.db2.gz SJLYHBGDUFIFNI-QGZVFWFLSA-N -1 3 356.386 0.844 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]CC(C)(C)[C@]1(O)CCOC1 ZINC000632500580 493014514 /nfs/dbraw/zinc/01/45/14/493014514.db2.gz ZBXHXDJDOZDKSD-LBPRGKRZSA-N -1 3 371.381 0.895 10 0 FCAEHM NC(=O)[C@H]1C[C@@H](NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000652796352 493020256 /nfs/dbraw/zinc/02/02/56/493020256.db2.gz UREBQUGRQFDAQP-KNVOCYPGSA-N -1 3 351.837 0.060 10 0 FCAEHM CCN1C[C@H](S(=O)(=O)[N-][C@@H]2CCc3ccccc3NC2=O)CC1=O ZINC000632535901 493023863 /nfs/dbraw/zinc/02/38/63/493023863.db2.gz GZTFJLZIOYVZRQ-TZMCWYRMSA-N -1 3 351.428 0.480 10 0 FCAEHM Cc1cc(C)c2c(c1)N(C(=O)C[N-]S(=O)(=O)c1cn(C)cn1)CCO2 ZINC000652873491 493031119 /nfs/dbraw/zinc/03/11/19/493031119.db2.gz WTOFODWJNUMAQC-UHFFFAOYSA-N -1 3 364.427 0.741 10 0 FCAEHM O=C1C[C@@H](S(=O)(=O)[N-][C@@H](CO)c2ccc(F)cc2F)CN1C1CC1 ZINC000632573081 493032138 /nfs/dbraw/zinc/03/21/38/493032138.db2.gz QIRNJNIJTQDNBV-RISCZKNCSA-N -1 3 360.382 0.681 10 0 FCAEHM CN1CCO[C@@H](CS(=O)(=O)[N-]C[C@@H](n2cccn2)C(F)(F)F)C1 ZINC000632589723 493037794 /nfs/dbraw/zinc/03/77/94/493037794.db2.gz WLZFLXVTMWVZLJ-GHMZBOCLSA-N -1 3 356.370 0.237 10 0 FCAEHM CCN1C[C@@H](S(=O)(=O)[N-]C[C@H](n2cccn2)C(F)(F)F)CC1=O ZINC000632589275 493038122 /nfs/dbraw/zinc/03/81/22/493038122.db2.gz JSZROVAWTJGHRF-UWVGGRQHSA-N -1 3 354.354 0.527 10 0 FCAEHM COc1cccc([C@@H](C[N-]S(=O)(=O)C[C@@H]2CN(C)CCO2)OC)c1 ZINC000632589681 493038647 /nfs/dbraw/zinc/03/86/47/493038647.db2.gz VFNFETGSYGGKRO-JKSUJKDBSA-N -1 3 358.460 0.633 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(CCOC)CC2(C)C)o1 ZINC000652926398 493044355 /nfs/dbraw/zinc/04/43/55/493044355.db2.gz YRPRKSLHSSLCTR-UHFFFAOYSA-N -1 3 359.448 0.371 10 0 FCAEHM CCc1nc(S(=O)(=O)[N-]CCn2cnccc2=O)cn1CC1CC1 ZINC000632635194 493053809 /nfs/dbraw/zinc/05/38/09/493053809.db2.gz LJZUUTNRSYHQQS-UHFFFAOYSA-N -1 3 351.432 0.391 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC(C)(C)O[C@@H]3COC[C@H]32)cn1 ZINC000653006707 493058417 /nfs/dbraw/zinc/05/84/17/493058417.db2.gz CDQHRQUZNMCCRN-VXGBXAGGSA-N -1 3 355.416 0.008 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC(COC)(C2CC2)C1 ZINC000632652329 493059469 /nfs/dbraw/zinc/05/94/69/493059469.db2.gz ZBXSMHXDOTWRHB-UHFFFAOYSA-N -1 3 374.484 0.642 10 0 FCAEHM CN1CCN(CCCOc2ccc(NC(=O)c3n[nH]c(=O)[n-]3)cc2)CC1 ZINC000653039771 493063208 /nfs/dbraw/zinc/06/32/08/493063208.db2.gz OBEKOJZWTNVLCR-UHFFFAOYSA-N -1 3 360.418 0.779 10 0 FCAEHM Cc1c(C(=O)N(C)C)occ1S(=O)(=O)[N-][C@@H](C)[C@H](O)C(F)(F)F ZINC000632676348 493063797 /nfs/dbraw/zinc/06/37/97/493063797.db2.gz IYRFHSLNNPRTNR-XVKPBYJWSA-N -1 3 358.338 0.880 10 0 FCAEHM O=C(N=c1nc(N2CCNCC2)[nH][n-]1)c1nscc1Br ZINC000653054491 493063908 /nfs/dbraw/zinc/06/39/08/493063908.db2.gz XNDYHYFIUBGFCK-UHFFFAOYSA-N -1 3 358.225 0.108 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]C1CN(c2ccncn2)C1 ZINC000632705935 493068503 /nfs/dbraw/zinc/06/85/03/493068503.db2.gz UOQYKECLMNSAEC-UHFFFAOYSA-N -1 3 362.337 0.396 10 0 FCAEHM O=C([O-])[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000633063140 493111327 /nfs/dbraw/zinc/11/13/27/493111327.db2.gz DEPGKQRYESUGQV-LSDHHAIUSA-N -1 3 351.447 0.787 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(NC(=O)CO)c1)C1CCOCC1 ZINC000647127042 493169618 /nfs/dbraw/zinc/16/96/18/493169618.db2.gz OFHNBVVOJVRJDE-HNNXBMFYSA-N -1 3 372.443 0.801 10 0 FCAEHM CC(C)(C)n1nnc(C(=O)Nc2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)n1 ZINC000666439961 493184682 /nfs/dbraw/zinc/18/46/82/493184682.db2.gz MIZOESWIFISMAS-INIZCTEOSA-N -1 3 357.374 0.735 10 0 FCAEHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H]2CNCCC2(F)F)s1 ZINC000647319255 493194065 /nfs/dbraw/zinc/19/40/65/493194065.db2.gz SNFIIQJPZSOSNR-NSHDSACASA-N -1 3 367.443 0.702 10 0 FCAEHM CN(C)[C@@H](CNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)Cc1ccccc1 ZINC000659393304 493201692 /nfs/dbraw/zinc/20/16/92/493201692.db2.gz ZAUPYBQRZSRZGP-GPMSIDNRSA-N -1 3 361.442 0.902 10 0 FCAEHM COc1cccc(CNC(=O)N2CCC[C@@H]2C[C@@]2(C)NC(=O)[N-]C2=O)n1 ZINC000672798617 493251827 /nfs/dbraw/zinc/25/18/27/493251827.db2.gz GCXUNWHQHSIOCQ-SJKOYZFVSA-N -1 3 361.402 0.752 10 0 FCAEHM CC(=O)N1CC[C@@H](C[N-]S(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)C1 ZINC000641597620 493260779 /nfs/dbraw/zinc/26/07/79/493260779.db2.gz NTTNIQLHDZYLDL-NSHDSACASA-N -1 3 371.850 0.838 10 0 FCAEHM Cc1cc(C)cc(CN(C)C(=O)C(=O)NCc2nc(CN)cc(=O)[n-]2)c1 ZINC000659747584 493283835 /nfs/dbraw/zinc/28/38/35/493283835.db2.gz FMYSGYLHMFSQHW-UHFFFAOYSA-N -1 3 357.414 0.533 10 0 FCAEHM C[C@]1(c2ccccc2)CCN(C(=O)C(=O)NCc2nc(CN)cc(=O)[n-]2)C1 ZINC000659748558 493285578 /nfs/dbraw/zinc/28/55/78/493285578.db2.gz JNSXFTINMGTDIA-IBGZPJMESA-N -1 3 369.425 0.447 10 0 FCAEHM O=C([O-])[C@]12COC[C@H]1CN(C(=O)[C@H]1CCCN(Cc3cccnc3)C1)C2 ZINC000659779564 493289483 /nfs/dbraw/zinc/28/94/83/493289483.db2.gz PEVRSEJDRQRKRX-FRQCXROJSA-N -1 3 359.426 0.853 10 0 FCAEHM CO[C@H](C(=O)NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)[C@H]1CCOC1 ZINC000667893986 493307485 /nfs/dbraw/zinc/30/74/85/493307485.db2.gz FHVZTMVESMHZKV-XAYKYTGQSA-N -1 3 361.398 0.409 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]CC1(O)CCC(F)(F)CC1)[C@@H]1CCOC1 ZINC000660072088 493321444 /nfs/dbraw/zinc/32/14/44/493321444.db2.gz RREZTXRZMBHWEK-NEPJUHHUSA-N -1 3 357.419 0.898 10 0 FCAEHM O=C(CC[C@H]1NC(=O)[N-]C1=O)NC[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC000682980008 493329309 /nfs/dbraw/zinc/32/93/09/493329309.db2.gz FQXWDCGDRSAINP-GXFFZTMASA-N -1 3 355.341 0.220 10 0 FCAEHM O=C(NC[C@]1(O)CCSC1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000673952203 493376761 /nfs/dbraw/zinc/37/67/61/493376761.db2.gz KWWHFZSGNRRBFB-CXAGYDPISA-N -1 3 350.440 0.981 10 0 FCAEHM CC(C)Cn1cnc(S(=O)(=O)[N-]CCCN2CCCS2(=O)=O)c1 ZINC000674068017 493386127 /nfs/dbraw/zinc/38/61/27/493386127.db2.gz QEPDHNPVZDMVEV-UHFFFAOYSA-N -1 3 364.493 0.243 10 0 FCAEHM CS(=O)(=O)Nc1cccc(CN2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000684027482 493388475 /nfs/dbraw/zinc/38/84/75/493388475.db2.gz GHMVZKSZHMOGBV-HNNXBMFYSA-N -1 3 352.416 0.232 10 0 FCAEHM COc1ccc2c(c1)OC[C@H](C(=O)N1CCC[C@]3(C1)NC(=O)[N-]C3=O)C2 ZINC000684078936 493392809 /nfs/dbraw/zinc/39/28/09/493392809.db2.gz SXRZXJGSDKDHET-KZULUSFZSA-N -1 3 359.382 0.447 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N2CC(C)(F)C2)s1 ZINC000684326975 493407496 /nfs/dbraw/zinc/40/74/96/493407496.db2.gz KIFXAZHQGXNFGG-UHFFFAOYSA-N -1 3 363.436 0.233 10 0 FCAEHM CC1=C[C@H](C)CN(S(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)C1 ZINC000684662554 493427385 /nfs/dbraw/zinc/42/73/85/493427385.db2.gz CBXGFKARHNWYMH-VIFPVBQESA-N -1 3 350.400 0.621 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC(CC(F)(F)F)C2)cn1C ZINC000675382779 493479269 /nfs/dbraw/zinc/47/92/69/493479269.db2.gz ROWWSBRKZUFDDZ-UHFFFAOYSA-N -1 3 368.381 0.808 10 0 FCAEHM CN1CCC[C@H]([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)C1 ZINC000675455222 493482509 /nfs/dbraw/zinc/48/25/09/493482509.db2.gz VPFNUSHNBQRDBT-JTQLQIEISA-N -1 3 350.437 0.602 10 0 FCAEHM CCNC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2F)C1 ZINC000675468335 493483718 /nfs/dbraw/zinc/48/37/18/493483718.db2.gz ROALECFFFWUHPJ-GFCCVEGCSA-N -1 3 372.422 0.866 10 0 FCAEHM O=C(NC1CC1)c1nn[n-]c1NC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000662173237 493494560 /nfs/dbraw/zinc/49/45/60/493494560.db2.gz ALAJOJSHOIKYCW-SNVBAGLBSA-N -1 3 360.418 0.817 10 0 FCAEHM O=C(NC1CC1)c1[n-]nnc1NC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000662173237 493494563 /nfs/dbraw/zinc/49/45/63/493494563.db2.gz ALAJOJSHOIKYCW-SNVBAGLBSA-N -1 3 360.418 0.817 10 0 FCAEHM O=C(NC1CC1)c1n[n-]nc1NC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000662173237 493494567 /nfs/dbraw/zinc/49/45/67/493494567.db2.gz ALAJOJSHOIKYCW-SNVBAGLBSA-N -1 3 360.418 0.817 10 0 FCAEHM CN(CCCOc1ccccc1)C(=O)CN1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662219632 493497702 /nfs/dbraw/zinc/49/77/02/493497702.db2.gz DXJVKJGBFWKLCH-DNVCBOLYSA-N -1 3 362.426 0.947 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)C(C)(C)n2cc(N)cn2)s1 ZINC000662458843 493517702 /nfs/dbraw/zinc/51/77/02/493517702.db2.gz RUYLASHKWGAINX-UHFFFAOYSA-N -1 3 357.461 0.486 10 0 FCAEHM CC(C)c1nc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2CNS(C)(=O)=O)c[nH]1 ZINC000669677558 493520781 /nfs/dbraw/zinc/52/07/81/493520781.db2.gz ZQCWHVIBEKRVRG-WDEREUQCSA-N -1 3 364.493 0.529 10 0 FCAEHM CCN1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CC1=O ZINC000663154648 493575987 /nfs/dbraw/zinc/57/59/87/493575987.db2.gz KWDXCWCETJSVOD-BZUAXINKSA-N -1 3 365.474 0.936 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CCC(=O)N(C)CC2)s1 ZINC000663535871 493594598 /nfs/dbraw/zinc/59/45/98/493594598.db2.gz BLTGZZZRPXSYKB-UHFFFAOYSA-N -1 3 360.461 0.030 10 0 FCAEHM CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663631325 493607025 /nfs/dbraw/zinc/60/70/25/493607025.db2.gz YTZTVGGPUGEZTB-KGLIPLIRSA-N -1 3 353.463 0.840 10 0 FCAEHM C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663629023 493607033 /nfs/dbraw/zinc/60/70/33/493607033.db2.gz IKANSONQYYRABU-ZFWWWQNUSA-N -1 3 353.463 0.840 10 0 FCAEHM C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663632990 493607218 /nfs/dbraw/zinc/60/72/18/493607218.db2.gz BQNYITORAQUQDC-GUTXKFCHSA-N -1 3 353.463 0.983 10 0 FCAEHM CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663633073 493607425 /nfs/dbraw/zinc/60/74/25/493607425.db2.gz NXCJSRSSTLAVML-GJZGRUSLSA-N -1 3 369.462 0.173 10 0 FCAEHM C[C@]1(c2ccc(CNC(=O)N[C@@H]3C[C@H](O)C34CCC4)cc2)NC(=O)[N-]C1=O ZINC000663920607 493625689 /nfs/dbraw/zinc/62/56/89/493625689.db2.gz WQLBTQHRRQVHHJ-QWQRMKEZSA-N -1 3 372.425 0.844 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2c2ncnc3ccc(S(C)(=O)=O)cc32)nc1=N ZINC000663963343 493627703 /nfs/dbraw/zinc/62/77/03/493627703.db2.gz SPPHNSHBALJASA-ZDUSSCGKSA-N -1 3 373.442 0.916 10 0 FCAEHM O=C(CC[C@H]1NC(=O)[N-]C1=O)N[C@H](CO)c1cccc(Br)c1 ZINC000678402417 493643396 /nfs/dbraw/zinc/64/33/96/493643396.db2.gz WVXOLVDOOPKJPO-GHMZBOCLSA-N -1 3 370.203 0.587 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)N[C@H]1C[C@@H](O)C12CCC2 ZINC000664500296 493663798 /nfs/dbraw/zinc/66/37/98/493663798.db2.gz AUSDWHSFOXYXHI-WDEREUQCSA-N -1 3 359.473 0.629 10 0 FCAEHM O=C(Nc1cccc([C@@H]2CNC(=O)C2)c1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000679343527 493675961 /nfs/dbraw/zinc/67/59/61/493675961.db2.gz BTOJXOKHTJXVHL-AAEUAGOBSA-N -1 3 357.370 0.058 10 0 FCAEHM CCCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCOC2(CNC2)C1 ZINC000664726465 493680010 /nfs/dbraw/zinc/68/00/10/493680010.db2.gz WHUWAQSWMMTFTH-UHFFFAOYSA-N -1 3 353.444 0.653 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N(Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000679693973 493692100 /nfs/dbraw/zinc/69/21/00/493692100.db2.gz YHBKXKVCNLSFIM-QWRGUYRKSA-N -1 3 359.304 0.537 10 0 FCAEHM O=C([O-])[C@@H](CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CCC1 ZINC000665326873 493709990 /nfs/dbraw/zinc/70/99/90/493709990.db2.gz HUVLDXGHMCSLKH-HNNXBMFYSA-N -1 3 366.462 0.437 10 0 FCAEHM CCc1ncc(S(=O)(=O)[N-][C@H]2CCN(C3CCOCC3)C2=O)s1 ZINC000680858165 493732455 /nfs/dbraw/zinc/73/24/55/493732455.db2.gz PVFKHLCAQHHLJP-NSHDSACASA-N -1 3 359.473 0.764 10 0 FCAEHM C[C@@]1(c2cccc(C(=O)NC3(CCO)CCOCC3)c2)NC(=O)[N-]C1=O ZINC000680934865 493737480 /nfs/dbraw/zinc/73/74/80/493737480.db2.gz SHSLITPBNVMXKA-KRWDZBQOSA-N -1 3 361.398 0.403 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H](C(F)(F)F)OC[C@H]2C)cn1 ZINC000672185020 493741391 /nfs/dbraw/zinc/74/13/91/493741391.db2.gz GAVSTZNHARHTGO-SCZZXKLOSA-N -1 3 367.349 0.782 10 0 FCAEHM CC(=O)N1CCO[C@@H](C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)C1 ZINC000936048617 674339459 /nfs/dbraw/zinc/33/94/59/674339459.db2.gz NHCHVESPSZBFLH-VXGBXAGGSA-N -1 3 365.352 0.151 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCCC[C@@H]2c2cn[nH]c2)cn1C ZINC000113892287 534515950 /nfs/dbraw/zinc/51/59/50/534515950.db2.gz VOBFDGYQUQYMIW-CYBMUJFWSA-N -1 3 366.447 0.484 10 0 FCAEHM Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)Nc1[n-]nnc1C(N)=O)CC2 ZINC000410855544 534620600 /nfs/dbraw/zinc/62/06/00/534620600.db2.gz CJSLDCIFTHIUAQ-LURJTMIESA-N -1 3 369.307 0.764 10 0 FCAEHM Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)Nc1nn[n-]c1C(N)=O)CC2 ZINC000410855544 534620604 /nfs/dbraw/zinc/62/06/04/534620604.db2.gz CJSLDCIFTHIUAQ-LURJTMIESA-N -1 3 369.307 0.764 10 0 FCAEHM Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)Nc1n[n-]nc1C(N)=O)CC2 ZINC000410855544 534620610 /nfs/dbraw/zinc/62/06/10/534620610.db2.gz CJSLDCIFTHIUAQ-LURJTMIESA-N -1 3 369.307 0.764 10 0 FCAEHM CN(C)c1nc(CN(C)[C@@H]2CCN(C(=O)c3ccc[nH]c3=O)C2)cc(=O)[n-]1 ZINC000276623152 522330558 /nfs/dbraw/zinc/33/05/58/522330558.db2.gz WRJSUMHJXDUHID-CYBMUJFWSA-N -1 3 372.429 0.695 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N3CCCC[C@@H]3C(F)F)cnc21 ZINC000409910112 534673185 /nfs/dbraw/zinc/67/31/85/534673185.db2.gz JXCDAGBHQVFWHC-SNVBAGLBSA-N -1 3 374.369 0.842 10 0 FCAEHM C[C@@H](Oc1cccc(F)c1)C(=O)N1CCO[C@@H](CN(C)CC(=O)[O-])C1 ZINC000275623209 525942636 /nfs/dbraw/zinc/94/26/36/525942636.db2.gz JGJPQFUXQRIGFJ-DOMZBBRYSA-N -1 3 354.378 0.837 10 0 FCAEHM C[C@@H](Oc1cccc(F)c1)C(=O)N1CCO[C@H](CN(C)CC(=O)[O-])C1 ZINC000275623213 525943316 /nfs/dbraw/zinc/94/33/16/525943316.db2.gz JGJPQFUXQRIGFJ-IUODEOHRSA-N -1 3 354.378 0.837 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000275591909 527137522 /nfs/dbraw/zinc/13/75/22/527137522.db2.gz KFQRRTCKGNPVLF-STQMWFEESA-N -1 3 373.413 0.260 10 0 FCAEHM CCOC1CC(C[N-]S(=O)(=O)c2cn(CC)cn2)(N2CCOCC2)C1 ZINC000443962637 535756634 /nfs/dbraw/zinc/75/66/34/535756634.db2.gz HBTUCGOMUVCEDR-UHFFFAOYSA-N -1 3 372.491 0.451 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000443192664 536331492 /nfs/dbraw/zinc/33/14/92/536331492.db2.gz SXNBYMPZSDDRKU-SDDRHHMPSA-N -1 3 362.473 0.781 10 0 FCAEHM COC(=O)[C@@H]1C[C@@H]1C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000441394804 536515504 /nfs/dbraw/zinc/51/55/04/536515504.db2.gz MAEJEXZQWSVZOJ-VHSXEESVSA-N -1 3 362.354 0.168 10 0 FCAEHM CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)OC ZINC000592066192 546606581 /nfs/dbraw/zinc/60/65/81/546606581.db2.gz LTSPNLVHRGIOOQ-ZYHUDNBSSA-N -1 3 355.478 0.461 10 0 FCAEHM CC[C@H](C)C[C@H]([N-]S(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)OC ZINC000592066190 546606852 /nfs/dbraw/zinc/60/68/52/546606852.db2.gz LTSPNLVHRGIOOQ-JQWIXIFHSA-N -1 3 355.478 0.461 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ncc3c(n2)CCOC3)s1 ZINC000593626512 546722519 /nfs/dbraw/zinc/72/25/19/546722519.db2.gz BYVYIBGWQRHYGW-UHFFFAOYSA-N -1 3 369.424 0.876 10 0 FCAEHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](CCF)C(=O)OC ZINC000593631695 546724499 /nfs/dbraw/zinc/72/44/99/546724499.db2.gz FKLXZUHAZYDRBX-JTQLQIEISA-N -1 3 351.327 0.792 10 0 FCAEHM COC(=O)[C@@H](CCF)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000593631897 546724528 /nfs/dbraw/zinc/72/45/28/546724528.db2.gz IHCPRZXLKAQDIQ-SNVBAGLBSA-N -1 3 371.383 0.409 10 0 FCAEHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H](CCF)C(=O)OC)c1 ZINC000593633731 546724570 /nfs/dbraw/zinc/72/45/70/546724570.db2.gz PJRCALJLRUOARX-NSHDSACASA-N -1 3 351.327 0.792 10 0 FCAEHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]CC[C@]1(O)CCOC1 ZINC000593636040 546732978 /nfs/dbraw/zinc/73/29/78/546732978.db2.gz BHEKMSQMYBJSGG-AWEZNQCLSA-N -1 3 363.819 0.946 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593863144 546762090 /nfs/dbraw/zinc/76/20/90/546762090.db2.gz MTVXAGBGSQJQGU-MEKWBXCPSA-N -1 3 360.432 0.224 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593867393 546763408 /nfs/dbraw/zinc/76/34/08/546763408.db2.gz IURNXNMJUQFAEW-DDIDRBJESA-N -1 3 368.889 0.412 10 0 FCAEHM COC(=O)CC[C@@H]([N-]S(=O)(=O)CCc1ccccc1F)C(=O)OC ZINC000594778067 546833126 /nfs/dbraw/zinc/83/31/26/546833126.db2.gz DESIGBJAHQCNLY-CYBMUJFWSA-N -1 3 361.391 0.782 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@H]1CCO[C@H]1C(=O)OC ZINC000594821115 546834906 /nfs/dbraw/zinc/83/49/06/546834906.db2.gz BIKMHBUEWLBYLU-GXSJLCMTSA-N -1 3 361.372 0.292 10 0 FCAEHM COC(=O)[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000594822408 546835837 /nfs/dbraw/zinc/83/58/37/546835837.db2.gz KWFJNCMIXXNPHK-IONNQARKSA-N -1 3 354.306 0.709 10 0 FCAEHM CCCOc1cncc(NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)c1 ZINC000529841957 547023816 /nfs/dbraw/zinc/02/38/16/547023816.db2.gz KSKZBKHDVJIGPW-UHFFFAOYSA-N -1 3 353.404 0.521 10 0 FCAEHM Cc1nccnc1CC[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000549922334 547074435 /nfs/dbraw/zinc/07/44/35/547074435.db2.gz BLOBRSKKOGEVEY-UHFFFAOYSA-N -1 3 355.441 0.710 10 0 FCAEHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)CC2(C(=O)OC)CCC2)[C@H]1n1cccn1 ZINC000550016958 547076848 /nfs/dbraw/zinc/07/68/48/547076848.db2.gz ACQZWOJIUMOHSK-BFHYXJOUSA-N -1 3 371.459 0.864 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)Cc2cc(OC)ccn2)s1 ZINC000550142634 547079705 /nfs/dbraw/zinc/07/97/05/547079705.db2.gz AEBXSWZAOMZOFF-UHFFFAOYSA-N -1 3 355.441 0.919 10 0 FCAEHM C[C@@]1(C[C@H]2CCCN2C(=O)C2CN(CC(F)(F)F)C2)NC(=O)[N-]C1=O ZINC000553449665 547280158 /nfs/dbraw/zinc/28/01/58/547280158.db2.gz WBGPNXSQBUNTCC-YGRLFVJLSA-N -1 3 362.352 0.460 10 0 FCAEHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H](C)C2(S(C)(=O)=O)CC2)s1 ZINC000553875403 547313074 /nfs/dbraw/zinc/31/30/74/547313074.db2.gz FWJAKCKVUXSHTL-ZETCQYMHSA-N -1 3 367.474 0.346 10 0 FCAEHM CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000392756554 547415121 /nfs/dbraw/zinc/41/51/21/547415121.db2.gz VNZBRAOZBUGFQP-DIFFPNOSSA-N -1 3 350.419 0.224 10 0 FCAEHM CC[C@H]1CN(C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)CCN1C[C@@H](C)O ZINC000194216910 674465969 /nfs/dbraw/zinc/46/59/69/674465969.db2.gz RDFUJSFDWZDDEJ-AGIUHOORSA-N -1 3 367.412 0.993 10 0 FCAEHM O=C(c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F)N1CCNC(=O)CC1 ZINC000729842275 665748418 /nfs/dbraw/zinc/74/84/18/665748418.db2.gz XTAOLZTUMAMFCK-UHFFFAOYSA-N -1 3 373.381 0.368 10 0 FCAEHM Cn1cc(CNC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)nn1 ZINC000092907145 663230964 /nfs/dbraw/zinc/23/09/64/663230964.db2.gz SOYSWONMVWKSBU-UHFFFAOYSA-N -1 3 353.379 0.325 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)CSc3nncs3)CC2)n1 ZINC000899500554 665943440 /nfs/dbraw/zinc/94/34/40/665943440.db2.gz VZEUFMGOMVKPHP-UHFFFAOYSA-N -1 3 352.445 0.783 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2[C@@H]3CC[C@H]2CC(=O)N(C)C3)ccc1F ZINC000899838241 665964090 /nfs/dbraw/zinc/96/40/90/665964090.db2.gz KGZQZCGNAGYQRT-NWDGAFQWSA-N -1 3 369.418 0.569 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]CC2CCN(C(=O)C(F)(F)F)CC2)nn1 ZINC000866904500 665137187 /nfs/dbraw/zinc/13/71/87/665137187.db2.gz RZCGWHYRSIIKBF-UHFFFAOYSA-N -1 3 366.365 0.864 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]C[C@@H](CO)CC2CC2)c(Br)n1 ZINC000867521275 665245494 /nfs/dbraw/zinc/24/54/94/665245494.db2.gz UVCZWCRYUOOXGD-VIFPVBQESA-N -1 3 352.254 0.870 10 0 FCAEHM C[C@@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1cccc(C(=O)[O-])c1F ZINC000905207028 666012013 /nfs/dbraw/zinc/01/20/13/666012013.db2.gz FZHMAVFFWNOMEO-SNVBAGLBSA-N -1 3 373.406 0.264 10 0 FCAEHM CS(=O)(=O)NCC1CCN(C(=O)c2cc3c(cc2[O-])OCO3)CC1 ZINC000436859824 666038273 /nfs/dbraw/zinc/03/82/73/666038273.db2.gz MDLNKPVRXHDKAU-UHFFFAOYSA-N -1 3 356.400 0.522 10 0 FCAEHM C/C=C\[C@H](O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000908001011 666173140 /nfs/dbraw/zinc/17/31/40/666173140.db2.gz IWQTWWSAIUENLN-QUCGXOGASA-N -1 3 350.799 0.811 10 0 FCAEHM O=C(NCCCc1cc(=O)[nH][n-]1)c1nn2c(c1Br)CCC2 ZINC000908231595 666195966 /nfs/dbraw/zinc/19/59/66/666195966.db2.gz IWBQTRNGVXFJGL-UHFFFAOYSA-N -1 3 354.208 0.978 10 0 FCAEHM CN1CCN(CCNC(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])CC1(C)C ZINC000909027582 666223626 /nfs/dbraw/zinc/22/36/26/666223626.db2.gz QGGYWZWYMBFYAZ-KKUMJFAQSA-N -1 3 352.479 0.907 10 0 FCAEHM CN1CCOC[C@@]1(CO)C[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000921338633 666436254 /nfs/dbraw/zinc/43/62/54/666436254.db2.gz MRRBEWINCMTTAG-LBPRGKRZSA-N -1 3 369.365 0.072 10 0 FCAEHM CN1CCOC[C@]1(CO)C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000921339306 666436808 /nfs/dbraw/zinc/43/68/08/666436808.db2.gz AZRWZHULKRPHNV-CYBMUJFWSA-N -1 3 369.270 0.965 10 0 FCAEHM CN1CC[C@@H]1C[N-]S(=O)(=O)c1cnn(C)c1I ZINC000921412931 666446457 /nfs/dbraw/zinc/44/64/57/666446457.db2.gz YWRRYYDJSPRMHL-SSDOTTSWSA-N -1 3 370.216 0.007 10 0 FCAEHM CO[C@@]1(C[N-]S(=O)(=O)c2ccc(F)cc2F)CCS(=O)(=O)C1 ZINC000921466123 666449227 /nfs/dbraw/zinc/44/92/27/666449227.db2.gz URCYUTOSJYEUQD-GFCCVEGCSA-N -1 3 355.384 0.447 10 0 FCAEHM Cc1cc(S(=O)(=O)[N-]C(C)(C)CNS(C)(=O)=O)c(F)cc1F ZINC000921488584 666453972 /nfs/dbraw/zinc/45/39/72/666453972.db2.gz ARJNCSZFXFFELJ-UHFFFAOYSA-N -1 3 356.416 0.879 10 0 FCAEHM CCn1c(=O)c2ccc(C(=O)N(C)CCN(C)CCO)cc2[n-]c1=S ZINC000912610787 666462863 /nfs/dbraw/zinc/46/28/63/666462863.db2.gz MLQKDHPRRWWAAX-UHFFFAOYSA-N -1 3 364.471 0.701 10 0 FCAEHM CN(CCO)CCN(C)C(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC000912612311 666463220 /nfs/dbraw/zinc/46/32/20/666463220.db2.gz NAVFDQLUQLLLAF-UHFFFAOYSA-N -1 3 351.325 0.454 10 0 FCAEHM CN(C)CCN1C[C@@H](C(=O)Nc2nccc(Br)c2[O-])CC1=O ZINC000913026453 666491121 /nfs/dbraw/zinc/49/11/21/666491121.db2.gz QPWGZFMLLOGTKB-VIFPVBQESA-N -1 3 371.235 0.898 10 0 FCAEHM COC(=O)[C@H](CC(F)F)[N-]S(=O)(=O)c1cnn2c1OCC(C)(C)C2 ZINC000914306029 666737841 /nfs/dbraw/zinc/73/78/41/666737841.db2.gz WXAGUAXIDKDDDR-QMMMGPOBSA-N -1 3 367.374 0.777 10 0 FCAEHM COC(=O)[C@@H](O)C[N-]S(=O)(=O)Cc1ccsc1Br ZINC000914305938 666737944 /nfs/dbraw/zinc/73/79/44/666737944.db2.gz UGPXMQDCZKAQIO-ZETCQYMHSA-N -1 3 358.235 0.464 10 0 FCAEHM CON(C)C(=O)[C@H](CCSC)[N-]S(=O)(=O)CC1(OC)CCC1 ZINC000866971906 666772291 /nfs/dbraw/zinc/77/22/91/666772291.db2.gz KIGSOONRRYZYJK-NSHDSACASA-N -1 3 354.494 0.616 10 0 FCAEHM CC[S@](=O)CCNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000733967162 666945947 /nfs/dbraw/zinc/94/59/47/666945947.db2.gz WHWBRROYASOIDN-IBGZPJMESA-N -1 3 358.894 0.565 10 0 FCAEHM O=S(=O)([N-]C[C@@H]1CN2CCN1CCC2)c1cccnc1C(F)(F)F ZINC000917062461 667051104 /nfs/dbraw/zinc/05/11/04/667051104.db2.gz WQRLSKFTZCSDEA-LLVKDONJSA-N -1 3 364.393 0.769 10 0 FCAEHM COc1ncc(S(=O)(=O)[N-][C@H](CO)[C@H]2CCC[C@@H](OC)C2)s1 ZINC000917193885 667063432 /nfs/dbraw/zinc/06/34/32/667063432.db2.gz OSRNUFZMRLAYIT-HBNTYKKESA-N -1 3 350.462 0.996 10 0 FCAEHM Cc1cc(CC[N-]S(=O)(=O)c2cnn(C)c2Br)nn1C ZINC000921582669 667139949 /nfs/dbraw/zinc/13/99/49/667139949.db2.gz WVDXCMOTSGKOBH-UHFFFAOYSA-N -1 3 362.253 0.746 10 0 FCAEHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C(F)(F)F)cn1 ZINC000921616992 667144567 /nfs/dbraw/zinc/14/45/67/667144567.db2.gz LULCDSQSYUQVJO-IONNQARKSA-N -1 3 358.363 0.962 10 0 FCAEHM O=S(=O)([N-]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1cccc(Br)n1 ZINC000921614931 667144742 /nfs/dbraw/zinc/14/47/42/667144742.db2.gz QWRRXUGUMAZVIT-BBBLOLIVSA-N -1 3 363.233 0.926 10 0 FCAEHM COC(=O)C1(S(=O)(=O)[N-]Cc2cn(C)nc2Br)CCC1 ZINC000920962261 667261184 /nfs/dbraw/zinc/26/11/84/667261184.db2.gz YPTWJTDYVUIWJR-UHFFFAOYSA-N -1 3 366.237 0.698 10 0 FCAEHM CN1C[C@@H](CC[N-]S(=O)(=O)c2cnn(C)c2Br)CC1=O ZINC000921058142 667266575 /nfs/dbraw/zinc/26/65/75/667266575.db2.gz FWQYEDPTBHPVPB-QMMMGPOBSA-N -1 3 365.253 0.329 10 0 FCAEHM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@H](C)Cc1c(C)nn(C)c1C ZINC000751455915 667468534 /nfs/dbraw/zinc/46/85/34/667468534.db2.gz YKMVJRWDLQJXBS-MRVPVSSYSA-N -1 3 369.447 0.765 10 0 FCAEHM CCOc1cccc(CC[N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)OC)n1 ZINC000751502420 667473427 /nfs/dbraw/zinc/47/34/27/667473427.db2.gz DWCDLCSWTHMVQQ-UHFFFAOYSA-N -1 3 368.415 0.819 10 0 FCAEHM COc1cc(Cl)c(C([O-])=COC(=O)Cc2[nH]c(O)nc2O)cc1OC ZINC000751580217 667477157 /nfs/dbraw/zinc/47/71/57/667477157.db2.gz UODFLWRJSHFNHJ-VIFPVBQESA-N -1 3 370.745 0.681 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC(C(=O)N(C)C)CC2)ccc1F ZINC000752397188 667513827 /nfs/dbraw/zinc/51/38/27/667513827.db2.gz PPFWMANQQIZTNI-UHFFFAOYSA-N -1 3 371.434 0.674 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC(OCCCOC)C2)ccc1F ZINC000752816234 667529644 /nfs/dbraw/zinc/52/96/44/667529644.db2.gz HOTPGXDSLMDRJQ-UHFFFAOYSA-N -1 3 360.407 0.611 10 0 FCAEHM O=C(c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F)N1C[C@@H]2C[C@]2(O)C1 ZINC000921893467 667534528 /nfs/dbraw/zinc/53/45/28/667534528.db2.gz JWIYDJRQRQAVNW-AYVTZFPOSA-N -1 3 358.366 0.612 10 0 FCAEHM CCC1(CC)CNC(=O)[C@H]1[N-]S(=O)(=O)C[C@]1(OC(C)C)CCOC1 ZINC000922037397 667572342 /nfs/dbraw/zinc/57/23/42/667572342.db2.gz BFTPRLZJOVZZBP-CJNGLKHVSA-N -1 3 362.492 0.795 10 0 FCAEHM C[C@@H](CC(=O)N1CC=C[C@H]1CO)[N-]S(=O)(=O)c1cccnc1Cl ZINC000922269966 667630449 /nfs/dbraw/zinc/63/04/49/667630449.db2.gz SHIXRUJNVMBXET-QWRGUYRKSA-N -1 3 359.835 0.551 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]3CCNC(=O)[C@@H]32)ccc1F ZINC000922444855 667653571 /nfs/dbraw/zinc/65/35/71/667653571.db2.gz DSSVXQIQUYUSJF-QMTHXVAHSA-N -1 3 369.418 0.475 10 0 FCAEHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@]2(C(=O)OC)CCOC2)c1 ZINC000756213916 667666357 /nfs/dbraw/zinc/66/63/57/667666357.db2.gz IUAAAROBUMMKLA-AWEZNQCLSA-N -1 3 361.347 0.223 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-][C@@]2(C)CCOC2)c1I ZINC000867014603 667701987 /nfs/dbraw/zinc/70/19/87/667701987.db2.gz ILNDTJNSHWAAJV-VIFPVBQESA-N -1 3 371.200 0.482 10 0 FCAEHM O=C(NN1CC(=O)[N-]C1=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000738504663 667921579 /nfs/dbraw/zinc/92/15/79/667921579.db2.gz CNHFYOCCIGYQRM-UHFFFAOYSA-N -1 3 365.143 0.900 10 0 FCAEHM Cc1nc(NC(=O)Cc2[nH]c(O)nc2O)sc1-c1n[n-]c(=S)n1C ZINC000763553103 667958047 /nfs/dbraw/zinc/95/80/47/667958047.db2.gz ISYAKUYVNZFRAD-YFKPBYRVSA-N -1 3 367.416 0.072 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCc2cccc(CO)n2)ccc1F ZINC000773600151 668099397 /nfs/dbraw/zinc/09/93/97/668099397.db2.gz JPFSTEMXBKHISR-UHFFFAOYSA-N -1 3 353.375 0.551 10 0 FCAEHM CN(CC(C)(C)S(C)(=O)=O)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000776255191 668254621 /nfs/dbraw/zinc/25/46/21/668254621.db2.gz AKSFCRNMGGMAQP-UHFFFAOYSA-N -1 3 357.358 0.788 10 0 FCAEHM CC(C)[C@@H](O)CNC(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000771604046 668261251 /nfs/dbraw/zinc/26/12/51/668261251.db2.gz ZAHKBHFZONBVJT-MNOVXSKESA-N -1 3 363.867 0.925 10 0 FCAEHM CNC(=O)[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C(C)C ZINC000772238986 668295620 /nfs/dbraw/zinc/29/56/20/668295620.db2.gz UFUALADOESLPJX-AWEZNQCLSA-N -1 3 371.434 0.767 10 0 FCAEHM Cn1cc([C@@H](O)C[N-]S(=O)(=O)c2cnccc2C(F)(F)F)cn1 ZINC000785496540 668715350 /nfs/dbraw/zinc/71/53/50/668715350.db2.gz XMAITQCZAGZKOF-JTQLQIEISA-N -1 3 350.322 0.846 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)OCCC2CS(=O)(=O)C2)c([O-])c1 ZINC000790644567 668880008 /nfs/dbraw/zinc/88/00/08/668880008.db2.gz BMYFZMOGFBKWGL-UHFFFAOYSA-N -1 3 355.412 0.798 10 0 FCAEHM CCN1CN(C(=O)C[C@H](C)[N-]S(=O)(=O)c2cccnc2Cl)CC1=O ZINC000791986540 668897619 /nfs/dbraw/zinc/89/76/19/668897619.db2.gz XTAQYORIIMEARY-JTQLQIEISA-N -1 3 374.850 0.440 10 0 FCAEHM COC(=O)c1ccc(COC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)nc1 ZINC000793389200 668926442 /nfs/dbraw/zinc/92/64/42/668926442.db2.gz VIXUIKFRCVMGLE-LBPRGKRZSA-N -1 3 358.416 0.875 10 0 FCAEHM CS(=O)(=O)N1CCCC[C@H]1CN/C=C1\C(=O)[N-]C(=O)c2ccccc21 ZINC000794736971 668993944 /nfs/dbraw/zinc/99/39/44/668993944.db2.gz UNOHCGBSQBWNQF-CMHHUMAZSA-N -1 3 363.439 0.701 10 0 FCAEHM CNC(=O)[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867034018 669165375 /nfs/dbraw/zinc/16/53/75/669165375.db2.gz PLAGMQQXMMTEOQ-HTQZYQBOSA-N -1 3 365.253 0.376 10 0 FCAEHM NS(=O)(=O)c1ccc(=N[N-]S(=O)(=O)C=Cc2ccccc2F)[nH]c1 ZINC000799915802 669323899 /nfs/dbraw/zinc/32/38/99/669323899.db2.gz HJLZYKDAIJKZFA-FPLPWBNLSA-N -1 3 372.403 0.785 10 0 FCAEHM COCC(COC)S(=O)(=O)[N-]Cc1ncc(Br)s1 ZINC000714708101 669341771 /nfs/dbraw/zinc/34/17/71/669341771.db2.gz VRFRLSLJXZPKEW-UHFFFAOYSA-N -1 3 359.267 0.986 10 0 FCAEHM COCCOC[C@@H](O)CN1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000829902782 669732288 /nfs/dbraw/zinc/73/22/88/669732288.db2.gz QDKBYMRPGJKJKA-CYDGBPFRSA-N -1 3 356.385 0.788 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CCC2(C)OCCO2)c(Br)n1 ZINC000867105731 669940407 /nfs/dbraw/zinc/94/04/07/669940407.db2.gz TVVCWIAZLYOGJV-UHFFFAOYSA-N -1 3 354.226 0.614 10 0 FCAEHM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)c2cn(C)c(=O)[nH]2)n[n-]1 ZINC000834687356 669969785 /nfs/dbraw/zinc/96/97/85/669969785.db2.gz QODGDIRVAGMSBN-VIFPVBQESA-N -1 3 350.379 0.938 10 0 FCAEHM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)c2cn(C)c(=O)[nH]2)n1 ZINC000834687356 669969787 /nfs/dbraw/zinc/96/97/87/669969787.db2.gz QODGDIRVAGMSBN-VIFPVBQESA-N -1 3 350.379 0.938 10 0 FCAEHM CCn1ncn([N-]C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)c1=O ZINC000816738376 669976804 /nfs/dbraw/zinc/97/68/04/669976804.db2.gz AOXRVTNWANIDAH-UHFFFAOYSA-N -1 3 364.305 0.742 10 0 FCAEHM CNC(=O)[C@H]1CCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)C1 ZINC000817471600 670014198 /nfs/dbraw/zinc/01/41/98/670014198.db2.gz YQXSOXDRZTXRAP-LBPRGKRZSA-N -1 3 371.434 0.721 10 0 FCAEHM C[C@@H](O)CCC[N-]S(=O)(=O)c1cnn(C)c1I ZINC000867204838 670072099 /nfs/dbraw/zinc/07/20/99/670072099.db2.gz QWXLTCPOTFGXAN-SSDOTTSWSA-N -1 3 373.216 0.464 10 0 FCAEHM CS(C)(=O)=NS(=O)(=O)[N-][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000867223421 670089767 /nfs/dbraw/zinc/08/97/67/670089767.db2.gz ZYIXBFHYNZERKN-NEPJUHHUSA-N -1 3 351.494 0.730 10 0 FCAEHM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]C[C@H](C)Cn1ccnc1 ZINC000840950029 670528692 /nfs/dbraw/zinc/52/86/92/670528692.db2.gz DWPYYUBSVGHWSW-JTQLQIEISA-N -1 3 355.420 0.706 10 0 FCAEHM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1C[C@@H](C)N(CCO)C[C@H]1C ZINC000841458438 670562423 /nfs/dbraw/zinc/56/24/23/670562423.db2.gz ZOLCMBDKJNQDBS-UTUOFQBUSA-N -1 3 353.385 0.603 10 0 FCAEHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2(C(=O)N(C)C)CC2)c1 ZINC000841558416 670594301 /nfs/dbraw/zinc/59/43/01/670594301.db2.gz UUIPYSFUPMCIIJ-UHFFFAOYSA-N -1 3 358.391 0.902 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C(C)(C)CN1CCOCC1 ZINC000841561366 670595092 /nfs/dbraw/zinc/59/50/92/670595092.db2.gz URQQURKQUIJWSE-UHFFFAOYSA-N -1 3 350.872 0.771 10 0 FCAEHM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@H]21 ZINC000867273301 670610386 /nfs/dbraw/zinc/61/03/86/670610386.db2.gz CLDDYGLBAIQJRX-WPGAZNDASA-N -1 3 351.494 0.586 10 0 FCAEHM CN(C)S(=O)(=O)c1cccc(CN2C[C@H]3COCC[C@]3(C(=O)[O-])C2)c1 ZINC000846286864 671100305 /nfs/dbraw/zinc/10/03/05/671100305.db2.gz HVVLENQMCCOHDH-YOEHRIQHSA-N -1 3 368.455 0.860 10 0 FCAEHM CON(C)S(=O)(=O)c1cccc(S(=O)(=O)[N-]CC(F)(F)F)c1 ZINC000848955288 671304384 /nfs/dbraw/zinc/30/43/84/671304384.db2.gz UGVORYJSMJPZIV-UHFFFAOYSA-N -1 3 362.351 0.709 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]C[C@]12OCCC[C@H]1C2(F)F)[C@@H]1CCOC1 ZINC000849459786 671349358 /nfs/dbraw/zinc/34/93/58/671349358.db2.gz VJEIAKBXJDWECZ-LPWJVIDDSA-N -1 3 355.403 0.772 10 0 FCAEHM C[C@@H]1CC[C@@H](NC(=O)NCc2nc(C(F)(F)F)n[n-]2)CS1(=O)=O ZINC000854004938 671563693 /nfs/dbraw/zinc/56/36/93/671563693.db2.gz LTYLGFDEJMBVOG-RNFRBKRXSA-N -1 3 355.342 0.588 10 0 FCAEHM Cc1cc(S(=O)(=O)[N-]C2(CS(C)(=O)=O)COC2)sc1Cl ZINC000903176250 675918503 /nfs/dbraw/zinc/91/85/03/675918503.db2.gz MASSINUXGILEQT-UHFFFAOYSA-N -1 3 359.878 0.802 10 0 FCAEHM NC(=O)[C@@]1([N-]C(=O)C(F)(F)n2cc(-c3ccccc3)nn2)CCOC1 ZINC000855053759 671625479 /nfs/dbraw/zinc/62/54/79/671625479.db2.gz QHFUCFMJNIEKQP-CQSZACIVSA-N -1 3 351.313 0.255 10 0 FCAEHM O=C(N[C@H]1CCNC1=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000855144854 671627596 /nfs/dbraw/zinc/62/75/96/671627596.db2.gz URVBRLZZOZTDOY-VIFPVBQESA-N -1 3 359.354 0.024 10 0 FCAEHM CN(OCC(F)(F)F)C(=O)C[N-]S(=O)(=O)c1cccnc1Cl ZINC000856763747 671701019 /nfs/dbraw/zinc/70/10/19/671701019.db2.gz RXUZYWJGNIBVJZ-UHFFFAOYSA-N -1 3 361.729 0.966 10 0 FCAEHM Cc1cc(F)c(S(=O)(=O)[N-]CC[C@H]2CNCCS2(=O)=O)cc1F ZINC000903541988 675941470 /nfs/dbraw/zinc/94/14/70/675941470.db2.gz PHZVRVYKEVTKGF-JTQLQIEISA-N -1 3 368.427 0.328 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]C[C@H]2CN(C3CC3)C(=O)O2)on1 ZINC000859212619 671801297 /nfs/dbraw/zinc/80/12/97/671801297.db2.gz IEIHOJCNILNEHC-NSHDSACASA-N -1 3 373.387 0.254 10 0 FCAEHM CC(C)OCCS(=O)(=O)[N-]CC(=O)OCc1cc(Cl)n(C)n1 ZINC000859578765 671837837 /nfs/dbraw/zinc/83/78/37/671837837.db2.gz BBHVJAGWNDVRKG-UHFFFAOYSA-N -1 3 353.828 0.461 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[S@@]3=O)ccc1F ZINC000863054927 672100278 /nfs/dbraw/zinc/10/02/78/672100278.db2.gz LXDOCGCJRUZRQJ-YCDSQXFLSA-N -1 3 374.459 0.859 10 0 FCAEHM CC[S@](C)(=O)=NS(=O)(=O)[N-]C1CCN(Cc2ccccn2)CC1 ZINC000866526159 672280559 /nfs/dbraw/zinc/28/05/59/672280559.db2.gz DKRZXMKODUETHY-QFIPXVFZSA-N -1 3 360.505 0.998 10 0 FCAEHM C[C@H](CN1CCCC1=O)[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000866557241 672282403 /nfs/dbraw/zinc/28/24/03/672282403.db2.gz KDFLCRBBSOYADG-MRVPVSSYSA-N -1 3 365.253 0.472 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-][C@@H]2CCCOC2)c1I ZINC000866745502 672295941 /nfs/dbraw/zinc/29/59/41/672295941.db2.gz YFGIJHJDHWYDOK-SSDOTTSWSA-N -1 3 371.200 0.482 10 0 FCAEHM COCCN1CCC[C@@H]([N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)C1 ZINC000866745279 672296001 /nfs/dbraw/zinc/29/60/01/672296001.db2.gz WCTREBKVWUFIAM-SNVBAGLBSA-N -1 3 370.397 0.828 10 0 FCAEHM C[C@@H](CN1CCN(C)CC1)[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1 ZINC000866746999 672296579 /nfs/dbraw/zinc/29/65/79/672296579.db2.gz NGHWYIBVZUVNGF-LFVRLGFBSA-N -1 3 374.532 0.614 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CCO[C@H]2CC2(F)F)c(Br)n1 ZINC000867511536 672328910 /nfs/dbraw/zinc/32/89/10/672328910.db2.gz YYBXQEVYNJUHFI-ZETCQYMHSA-N -1 3 360.180 0.885 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)nn1 ZINC000867530260 672331981 /nfs/dbraw/zinc/33/19/81/672331981.db2.gz URGPTJSYHNWGQG-ZIAGYGMSSA-N -1 3 352.460 0.707 10 0 FCAEHM Cc1cc(S(=O)(=O)[N-]C[C@]23COC(=O)N2CCOC3)c(F)cc1F ZINC000867748862 672362610 /nfs/dbraw/zinc/36/26/10/672362610.db2.gz JSXVYGANOYPYSB-AWEZNQCLSA-N -1 3 362.354 0.773 10 0 FCAEHM COC(=O)[C@H](CCC1OCCO1)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000867761665 672364405 /nfs/dbraw/zinc/36/44/05/672364405.db2.gz ORRDWXZQYMWUJN-NSHDSACASA-N -1 3 365.354 0.938 10 0 FCAEHM CC(C)(O)CO[N-]C(=O)CCc1ccc(N2CCCS2(=O)=O)cc1 ZINC000867858436 672373834 /nfs/dbraw/zinc/37/38/34/672373834.db2.gz CFGJKBNNPALNPD-UHFFFAOYSA-N -1 3 356.444 0.978 10 0 FCAEHM COc1cccc(S([O-])=CC(=O)N[C@H]2CCN(CC(C)(C)O)C2)c1 ZINC000869776590 672449857 /nfs/dbraw/zinc/44/98/57/672449857.db2.gz OFDDTGKERZTQMT-RZFZLAGVSA-N -1 3 354.472 0.764 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@]12CCC[C@H]1OCC2 ZINC000872268792 672609658 /nfs/dbraw/zinc/60/96/58/672609658.db2.gz KPTLWLRINOOSKQ-RNCFNFMXSA-N -1 3 358.192 0.539 10 0 FCAEHM CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cccnc1Cl ZINC000800196915 673422007 /nfs/dbraw/zinc/42/20/07/673422007.db2.gz DBEILYJDBFQNJK-UWVGGRQHSA-N -1 3 367.880 0.731 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)nc1Cl ZINC000800198700 673422327 /nfs/dbraw/zinc/42/23/27/673422327.db2.gz WNAKVTSKVYWLCL-RKDXNWHRSA-N -1 3 370.884 0.070 10 0 FCAEHM CC[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N(CCOC)CCN(C)C)C1 ZINC000926330586 673823589 /nfs/dbraw/zinc/82/35/89/673823589.db2.gz ALUAXZBWIVFPEH-KRWDZBQOSA-N -1 3 357.451 0.126 10 0 FCAEHM CC[C@H](CNC(=O)C(=O)N(CCN(C)C)Cc1ccsc1)C(=O)[O-] ZINC000927956512 673893819 /nfs/dbraw/zinc/89/38/19/673893819.db2.gz DGTVKPUYLNZYDK-CYBMUJFWSA-N -1 3 355.460 0.865 10 0 FCAEHM COC(=O)C1CC2(C1)CN(C(=O)CN1[C@H](C)CC[C@H]1C)C[C@H]2C(=O)[O-] ZINC000902747248 675890501 /nfs/dbraw/zinc/89/05/01/675890501.db2.gz SFBUEPVRIJNAHB-IOXAWJFASA-N -1 3 352.431 0.972 10 0 FCAEHM CCOCC(=O)N[C@H]1CCN(C(=O)CCc2c(C)nc[n-]c2=O)[C@@H]1C ZINC001719598073 1169039269 /nfs/dbraw/zinc/03/92/69/1169039269.db2.gz POJJZFGRWTYOSO-OCCSQVGLSA-N -1 3 350.419 0.565 10 0 FCAEHM O=C(NCC1(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CCCC1)c1cnc[n-]c1=O ZINC001746250116 1192367042 /nfs/dbraw/zinc/36/70/42/1192367042.db2.gz MIUVWPMNBKYLHY-BZPMIXESSA-N -1 3 360.414 0.909 10 0 FCAEHM C[C@@H](CNC(=O)[C@]12CCC[C@H]1OCC2)NCc1cc(=O)n2[n-]ccc2n1 ZINC001266957551 1171083265 /nfs/dbraw/zinc/08/32/65/1171083265.db2.gz SQLYUFDVXBMUCZ-WRSAYESZSA-N -1 3 359.430 0.576 10 0 FCAEHM CO[C@H](C(=O)N[C@H]1CCN(C(=O)c2c(C)nc[n-]c2=O)[C@@H]1C)C(C)C ZINC001719642393 1171392402 /nfs/dbraw/zinc/39/24/02/1171392402.db2.gz XFAQBFFHFGRWLE-DYEKYZERSA-N -1 3 350.419 0.881 10 0 FCAEHM Cn1[n-]c(CN2CC[C@@H](CCNC(=O)[C@@H]3C[C@H]3c3ccncc3)C2)nc1=O ZINC001267559485 1181813966 /nfs/dbraw/zinc/81/39/66/1181813966.db2.gz VSNJHWHBRKJTFV-VNQPRFMTSA-N -1 3 370.457 0.635 10 0 FCAEHM C[C@@](CNCc1cc(=O)n2[n-]ccc2n1)(NC(=O)[C@]12C[C@H]1COC2)C1CC1 ZINC001269620099 1187859438 /nfs/dbraw/zinc/85/94/38/1187859438.db2.gz ZDHVNNZVUCAKED-AGRHKRQWSA-N -1 3 371.441 0.434 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)NCCC1CCN(Cc2nc(=O)n(C)[n-]2)CC1 ZINC001270118055 1188018265 /nfs/dbraw/zinc/01/82/65/1188018265.db2.gz FHELFVSLTDFSEI-ZBFHGGJFSA-N -1 3 365.478 0.642 10 0 FCAEHM O=C(c1cnc[n-]c1=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC000937496865 1188401901 /nfs/dbraw/zinc/40/19/01/1188401901.db2.gz IFAJTJUZAPFCLN-XPCVCDNBSA-N -1 3 358.398 0.423 10 0 FCAEHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCN(CC(F)(F)F)C(=O)C1 ZINC000552032166 1193895725 /nfs/dbraw/zinc/89/57/25/1193895725.db2.gz JLVUMZJJJWNLRB-UHFFFAOYSA-N -1 3 370.287 0.809 10 0 FCAEHM Cn1cnnc1CCCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000552475812 1193931644 /nfs/dbraw/zinc/93/16/44/1193931644.db2.gz YFSBCPSCFAEMSC-CQSZACIVSA-N -1 3 357.414 0.874 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000898735569 1194072611 /nfs/dbraw/zinc/07/26/11/1194072611.db2.gz WGMAUTAWIXTJAU-WDEREUQCSA-N -1 3 364.352 0.946 10 0 FCAEHM Cc1ccc2c([O-])c(C(=O)NCCN3CCC4(C3)OCCO4)cnc2n1 ZINC000899055205 1194099033 /nfs/dbraw/zinc/09/90/33/1194099033.db2.gz IEGJXOPWUOMEEJ-UHFFFAOYSA-N -1 3 358.398 0.822 10 0 FCAEHM Cc1ccc2c(n1)[n-]cc(C(=O)NCCN1CCC3(C1)OCCO3)c2=O ZINC000899055205 1194099037 /nfs/dbraw/zinc/09/90/37/1194099037.db2.gz IEGJXOPWUOMEEJ-UHFFFAOYSA-N -1 3 358.398 0.822 10 0 FCAEHM CCN1CCN(c2ccc(C(=O)N3CCC[C@@H](O)[C@@H]3C(=O)[O-])cc2)CC1 ZINC000911629915 1196305227 /nfs/dbraw/zinc/30/52/27/1196305227.db2.gz GWJJWJPEIWZWIW-IAGOWNOFSA-N -1 3 361.442 0.879 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CC(N2CCOCC2)C1 ZINC000911645260 1196305266 /nfs/dbraw/zinc/30/52/66/1196305266.db2.gz WHZVLAXDHPOSJG-INIZCTEOSA-N -1 3 359.426 0.540 10 0 FCAEHM O=C(CCCN1C(=O)c2ccccc2C1=O)NCCCc1c[n-][nH]c1=O ZINC001168406356 1196745687 /nfs/dbraw/zinc/74/56/87/1196745687.db2.gz ZTAYODUSQYOXGI-GFCCVEGCSA-N -1 3 356.382 0.691 10 0 FCAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cn(C)c(=O)n(C)c3=O)cc2)n1 ZINC000735005376 1197824500 /nfs/dbraw/zinc/82/45/00/1197824500.db2.gz NXNKFJZYYWVYHF-UHFFFAOYSA-N -1 3 367.365 0.395 10 0 FCAEHM O=C(c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)N1C[C@H](O)C[C@H](O)C1 ZINC000767992969 1200056527 /nfs/dbraw/zinc/05/65/27/1200056527.db2.gz OMWLVSXGYHAXEA-DTORHVGOSA-N -1 3 372.299 0.994 10 0 FCAEHM CC(=O)N1CCC(NC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])CC1 ZINC001135880926 1203100777 /nfs/dbraw/zinc/10/07/77/1203100777.db2.gz FSWGWVRNJZEXPM-UHFFFAOYSA-N -1 3 374.372 0.615 10 0 FCAEHM CC(=O)N1CCC(NC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)CC1 ZINC001135880926 1203100778 /nfs/dbraw/zinc/10/07/78/1203100778.db2.gz FSWGWVRNJZEXPM-UHFFFAOYSA-N -1 3 374.372 0.615 10 0 FCAEHM Cn1cc(N2C[C@H](C(=O)Nc3ccc(-c4nnn[n-]4)cc3)CCC2=O)cn1 ZINC001136497285 1203216678 /nfs/dbraw/zinc/21/66/78/1203216678.db2.gz DYRCVOSPVLPUQR-GFCCVEGCSA-N -1 3 366.385 0.982 10 0 FCAEHM Cn1cc(N2C[C@H](C(=O)Nc3ccc(-c4nn[n-]n4)cc3)CCC2=O)cn1 ZINC001136497285 1203216683 /nfs/dbraw/zinc/21/66/83/1203216683.db2.gz DYRCVOSPVLPUQR-GFCCVEGCSA-N -1 3 366.385 0.982 10 0 FCAEHM Cc1cc(C=O)c([O-])c(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)c1 ZINC001136743653 1203262140 /nfs/dbraw/zinc/26/21/40/1203262140.db2.gz YMYOPYZYIPBICN-MRXNPFEDSA-N -1 3 361.442 0.649 10 0 FCAEHM CNC(=O)COc1ccc(C(=O)NCCc2c(C)[n-][nH]c2=O)cc1OC ZINC001144233271 1204439040 /nfs/dbraw/zinc/43/90/40/1204439040.db2.gz UZVOWQMBAIKNBM-LBPRGKRZSA-N -1 3 362.386 0.062 10 0 FCAEHM C[C@H](C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC001144502315 1204542750 /nfs/dbraw/zinc/54/27/50/1204542750.db2.gz JIGPUZBIOZNUMS-VOAKCMCISA-N -1 3 360.414 0.995 10 0 FCAEHM COC(=O)[C@@H](CCF)NC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC000846423373 1204624996 /nfs/dbraw/zinc/62/49/96/1204624996.db2.gz BLKDAFWHSAZYFV-LLVKDONJSA-N -1 3 367.308 0.505 10 0 FCAEHM COC(=O)[C@@H](CCF)NC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000846423373 1204624999 /nfs/dbraw/zinc/62/49/99/1204624999.db2.gz BLKDAFWHSAZYFV-LLVKDONJSA-N -1 3 367.308 0.505 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)[C@H]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC001180029058 1206387845 /nfs/dbraw/zinc/38/78/45/1206387845.db2.gz YABGMCFWDALFPS-ZOBORPQBSA-N -1 3 359.430 0.572 10 0 FCAEHM CNC(=O)Nc1cccc(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)c1 ZINC001180027180 1206388050 /nfs/dbraw/zinc/38/80/50/1206388050.db2.gz FYUZXJXZKXSVRC-ZDUSSCGKSA-N -1 3 356.386 0.942 10 0 FCAEHM O=C(N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)c1cn([C@@H]2CC[C@H]2O)nn1 ZINC001180225691 1206389979 /nfs/dbraw/zinc/38/99/79/1206389979.db2.gz DMHKSHSOQOBWBT-HBJVGIJOSA-N -1 3 358.402 0.926 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)NCc2cnc3n2CCOC3)c([O-])c1 ZINC001180196922 1206390101 /nfs/dbraw/zinc/39/01/01/1206390101.db2.gz NCLKLYFODVOZDE-UHFFFAOYSA-N -1 3 358.398 0.864 10 0 FCAEHM O=C(CN1CC[C@@H](c2nnn[n-]2)C1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001197297891 1208150409 /nfs/dbraw/zinc/15/04/09/1208150409.db2.gz SFDUDBDFTIIHKJ-UKRRQHHQSA-N -1 3 360.393 0.728 10 0 FCAEHM O=C(CN1CC[C@@H](c2nn[n-]n2)C1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001197297891 1208150418 /nfs/dbraw/zinc/15/04/18/1208150418.db2.gz SFDUDBDFTIIHKJ-UKRRQHHQSA-N -1 3 360.393 0.728 10 0 FCAEHM O=C(CN1CC[C@@H](c2nnn[n-]2)C1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC001197297890 1208151019 /nfs/dbraw/zinc/15/10/19/1208151019.db2.gz SFDUDBDFTIIHKJ-HIFRSBDPSA-N -1 3 360.393 0.728 10 0 FCAEHM O=C(CN1CC[C@@H](c2nn[n-]n2)C1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC001197297890 1208151021 /nfs/dbraw/zinc/15/10/21/1208151021.db2.gz SFDUDBDFTIIHKJ-HIFRSBDPSA-N -1 3 360.393 0.728 10 0 FCAEHM CCc1cc2c(CN3CCN4CCOC[C@]4(CO)C3)cc(=O)oc2cc1[O-] ZINC001198164124 1208225487 /nfs/dbraw/zinc/22/54/87/1208225487.db2.gz CPGSGWMUNOPAJI-HXUWFJFHSA-N -1 3 374.437 0.940 10 0 FCAEHM C[C@H](CN(C)C(=O)c1cnc[n-]c1=O)NC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001487813229 1208398829 /nfs/dbraw/zinc/39/88/29/1208398829.db2.gz HTKWUFKGVDHPGO-KWCYVHTRSA-N -1 3 355.398 0.958 10 0 FCAEHM O=C(NC[C@@H](CO)NC(=O)[C@@H]1C[C@H]1c1cccnc1)c1ccccc1[O-] ZINC001487943494 1208411050 /nfs/dbraw/zinc/41/10/50/1208411050.db2.gz CNRYETLTLWSEFH-CWRNSKLLSA-N -1 3 355.394 0.798 10 0 FCAEHM CCC1(C(=O)N[C@@H]2CN(C(=O)c3ccc4c(c3)C(=O)[N-]C4=O)C[C@@H]2O)CC1 ZINC001489622405 1209053769 /nfs/dbraw/zinc/05/37/69/1209053769.db2.gz GSOIINISVDJCCI-KGLIPLIRSA-N -1 3 371.393 0.062 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2c(C)nc[n-]c2=O)CCN1C(=O)CCCC(N)=O ZINC001490012184 1209189500 /nfs/dbraw/zinc/18/95/00/1209189500.db2.gz HVSHPTDSRONFJN-NWDGAFQWSA-N -1 3 363.418 0.256 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)CCCc1nc(C)no1 ZINC001490005265 1209208574 /nfs/dbraw/zinc/20/85/74/1209208574.db2.gz RWRAAPLIWACZRT-WCQYABFASA-N -1 3 361.406 0.628 10 0 FCAEHM CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)NCCCc2cc(=O)[nH][n-]2)=NO1 ZINC000854485958 1209631223 /nfs/dbraw/zinc/63/12/23/1209631223.db2.gz HCOBHQUCHLTOSS-NSHDSACASA-N -1 3 367.406 0.428 10 0 FCAEHM CN1NN=C2C1=NCC[C@@H]2C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000854526769 1209632880 /nfs/dbraw/zinc/63/28/80/1209632880.db2.gz OODAWXNTNQMMQQ-ZJUUUORDSA-N -1 3 374.367 0.128 10 0 FCAEHM O=C(COCc1cc[nH]c(=O)c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000860048630 1209837831 /nfs/dbraw/zinc/83/78/31/1209837831.db2.gz YPVQUWHUCQYQOU-UHFFFAOYSA-N -1 3 371.393 0.994 10 0 FCAEHM O=C(c1cc2c(cc1[O-])OCO2)N1CCN(CCc2cnccn2)CC1 ZINC000871218413 1210135553 /nfs/dbraw/zinc/13/55/53/1210135553.db2.gz QUAURGIPLHXTRH-UHFFFAOYSA-N -1 3 356.382 0.911 10 0 FCAEHM COCCC(=O)N1CCC(NC(=O)Cc2c(C)nc(C)[n-]c2=O)CC1 ZINC001545688480 1211330495 /nfs/dbraw/zinc/33/04/95/1211330495.db2.gz AQMOCQMZQWCGBG-UHFFFAOYSA-N -1 3 350.419 0.485 10 0 FCAEHM COc1nnc(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3OC)C2=O)[n-]1 ZINC000778956010 1211942690 /nfs/dbraw/zinc/94/26/90/1211942690.db2.gz SBOYDXOAXFHXAT-INIZCTEOSA-N -1 3 374.357 0.228 10 0 FCAEHM COc1nc(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3OC)C2=O)n[n-]1 ZINC000778956010 1211942694 /nfs/dbraw/zinc/94/26/94/1211942694.db2.gz SBOYDXOAXFHXAT-INIZCTEOSA-N -1 3 374.357 0.228 10 0 FCAEHM COc1n[n-]c(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3OC)C2=O)n1 ZINC000778956010 1211942697 /nfs/dbraw/zinc/94/26/97/1211942697.db2.gz SBOYDXOAXFHXAT-INIZCTEOSA-N -1 3 374.357 0.228 10 0 FCAEHM O=C(c1nc2ncccn2n1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001137345754 1219050751 /nfs/dbraw/zinc/05/07/51/1219050751.db2.gz WHEPZKRONMTOKB-UHFFFAOYSA-N -1 3 352.354 0.428 10 0 FCAEHM O=C(COC[C@H]1CCCO1)N1C[C@@H]2CCC[C@]2(NC(=O)c2cn[n-]n2)C1 ZINC001490917373 1219666877 /nfs/dbraw/zinc/66/68/77/1219666877.db2.gz ZKCSDPHSVAHHAI-AHIWAGSCSA-N -1 3 363.418 0.111 10 0 FCAEHM Cn1c(=O)ccn(CC(=O)OCc2noc(-c3ccccc3[O-])n2)c1=O ZINC000782781061 1221188685 /nfs/dbraw/zinc/18/86/85/1221188685.db2.gz TXPYJFHYLDQTOY-UHFFFAOYSA-N -1 3 358.310 0.046 10 0 FCAEHM O=C(NCc1nc(C(F)(F)F)n[n-]1)C(=O)N[C@H]1CNc2ccccc2C1 ZINC001118327767 1221760350 /nfs/dbraw/zinc/76/03/50/1221760350.db2.gz DSRMHDYRFWLSTC-SECBINFHSA-N -1 3 368.319 0.593 10 0 FCAEHM C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC(C)(C(=O)[O-])CC1 ZINC001118495207 1221789656 /nfs/dbraw/zinc/78/96/56/1221789656.db2.gz QZTBSBBZGCKPQE-CQSZACIVSA-N -1 3 361.446 0.700 10 0 FCAEHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)[C@@H]3COC(=O)N3)c2)[n-]1 ZINC000831377320 1222496333 /nfs/dbraw/zinc/49/63/33/1222496333.db2.gz WJRVAWMNZKCDHE-NSHDSACASA-N -1 3 359.342 0.373 10 0 FCAEHM CCOC(=O)c1nc(-c2cccc(CNC(=O)[C@@H]3COC(=O)N3)c2)n[n-]1 ZINC000831377320 1222496335 /nfs/dbraw/zinc/49/63/35/1222496335.db2.gz WJRVAWMNZKCDHE-NSHDSACASA-N -1 3 359.342 0.373 10 0 FCAEHM CCOC(=O)C[C@H](O)C(=O)N1CCC(c2n[n-]c(C(=O)OCC)n2)CC1 ZINC001139570146 1222553828 /nfs/dbraw/zinc/55/38/28/1222553828.db2.gz NAMDUPUEOXFKEW-NSHDSACASA-N -1 3 368.390 0.002 10 0 FCAEHM CCOC(=O)C[C@H](O)C(=O)N1CCC(c2nnc(C(=O)OCC)[n-]2)CC1 ZINC001139570146 1222553829 /nfs/dbraw/zinc/55/38/29/1222553829.db2.gz NAMDUPUEOXFKEW-NSHDSACASA-N -1 3 368.390 0.002 10 0 FCAEHM O=C(CN1CC[C@@H](c2ccccc2)NC1=O)NCCCc1c[n-][nH]c1=O ZINC001149262348 1222881393 /nfs/dbraw/zinc/88/13/93/1222881393.db2.gz LOLYQPUZMRASFM-CABCVRRESA-N -1 3 357.414 0.771 10 0 FCAEHM O=C(CCC(=O)N1CCOc2ccccc21)NCCCc1c[n-][nH]c1=O ZINC001149261637 1222881424 /nfs/dbraw/zinc/88/14/24/1222881424.db2.gz BVGAMWXOJDYUAC-ZDUSSCGKSA-N -1 3 358.398 0.820 10 0 FCAEHM CCOC(=O)c1cnn2c1nccc2C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001164320464 1223237456 /nfs/dbraw/zinc/23/74/56/1223237456.db2.gz BRGQAASCKDMHDG-SNVBAGLBSA-N -1 3 370.369 0.964 10 0 FCAEHM Cc1cc(=O)[n-]c(CNC(=O)C2=NO[C@@H](CNC(=O)OC(C)(C)C)C2)n1 ZINC001164368256 1223237937 /nfs/dbraw/zinc/23/79/37/1223237937.db2.gz ALEJFZPYIALQRA-SNVBAGLBSA-N -1 3 365.390 0.776 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)NC[C@@H]2CN(C3CC3)C(=O)O2)c([O-])c1 ZINC000848365236 1245368580 /nfs/dbraw/zinc/36/85/80/1245368580.db2.gz WBPGWOHPMGLSMV-CYBMUJFWSA-N -1 3 361.398 0.920 10 0 FCAEHM O=C(c1cnc[n-]c1=O)N1CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC000941421744 1246616199 /nfs/dbraw/zinc/61/61/99/1246616199.db2.gz NTPUHOVIYYHSAO-MIBAYGRRSA-N -1 3 358.398 0.280 10 0 FCAEHM C[C@@]1(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3ccccc3[O-])C2)CCNC1=O ZINC001515160468 1265448757 /nfs/dbraw/zinc/44/87/57/1265448757.db2.gz KQGMIYGWFHVWMW-XEKQOVJPSA-N -1 3 359.426 0.933 10 0 FCAEHM C[C@]1(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3ccccc3[O-])C2)CCNC1=O ZINC001515160459 1265449319 /nfs/dbraw/zinc/44/93/19/1265449319.db2.gz KQGMIYGWFHVWMW-QUJCMNEKSA-N -1 3 359.426 0.933 10 0 FCAEHM CCO[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1CNC(=O)CNC(C)=O ZINC001515215369 1265462834 /nfs/dbraw/zinc/46/28/34/1265462834.db2.gz RDDRFQNKNHRLSV-CZUORRHYSA-N -1 3 363.414 0.122 10 0 FCAEHM CC(C)=CC(=O)NCc1nc(CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)cc(=O)[n-]1 ZINC001519535911 1265729625 /nfs/dbraw/zinc/72/96/25/1265729625.db2.gz DXAOVRQOXQHJCO-CHWSQXEVSA-N -1 3 370.413 0.908 10 0 FCAEHM CC(C)C[C@H](C(N)=O)C(=O)N[C@H]1CCN(C(=O)c2cnc[n-]c2=O)[C@@H]1C ZINC001520836267 1266016749 /nfs/dbraw/zinc/01/67/49/1266016749.db2.gz HBFHOXIUTUYKNP-WZRBSPASSA-N -1 3 363.418 0.049 10 0 FCAEHM CN1CCn2c(C[N-]C(=O)C(F)(F)c3ccc(F)cc3)nnc2C1=O ZINC001521880229 1266199671 /nfs/dbraw/zinc/19/96/71/1266199671.db2.gz VQHXKEXBZIAPPX-UHFFFAOYSA-N -1 3 353.304 0.911 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 ZINC001335430098 1259660626 /nfs/dbraw/zinc/66/06/26/1259660626.db2.gz QEBHYXNGKNNNTG-INIZCTEOSA-N -1 3 371.441 0.835 10 0 FCAEHM Cc1cccc(C[C@@H](CO)NC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)c1 ZINC001251450833 1259748243 /nfs/dbraw/zinc/74/82/43/1259748243.db2.gz HYXWBLYRVMPHAZ-CVEARBPZSA-N -1 3 371.441 0.972 10 0 FCAEHM CCC1(N2CCOCC2)CCN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])CC1 ZINC001331763319 1266282296 /nfs/dbraw/zinc/28/22/96/1266282296.db2.gz XFIWGQVNTNFHEP-AWEZNQCLSA-N -1 3 369.462 0.269 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NCCC[C@@H](C)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001336235689 1260053155 /nfs/dbraw/zinc/05/31/55/1260053155.db2.gz LDGIXDWCMFKSAT-KTUBUYFOSA-N -1 3 374.441 0.929 10 0 FCAEHM CCC[C@@H]1C[C@H]1C(=O)NC[C@H](CO)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001337829169 1260496262 /nfs/dbraw/zinc/49/62/62/1260496262.db2.gz JIAOCVBVCUWEPN-JHJVBQTASA-N -1 3 362.430 0.703 10 0 FCAEHM O=C([O-])[C@H]1CC[C@@H](C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)O1 ZINC001332207612 1266356918 /nfs/dbraw/zinc/35/69/18/1266356918.db2.gz KJIRBMQCFNQFLN-LUKYLMHMSA-N -1 3 362.426 0.618 10 0 FCAEHM C[C@H](CNC(=O)[C@]12C[C@H]1COC2)N(C)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001280495575 1261063928 /nfs/dbraw/zinc/06/39/28/1261063928.db2.gz QWNLSBKCHXGHTB-MYFIVHGGSA-N -1 3 360.414 0.673 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)NCCOCCN(C)C(=O)c1cnc[n-]c1=O ZINC001280916477 1261078148 /nfs/dbraw/zinc/07/81/48/1261078148.db2.gz OVMLOEOODZVRMU-OCCSQVGLSA-N -1 3 366.418 0.202 10 0 FCAEHM COCC1(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3cnc[n-]c3=O)C2)CCCC1 ZINC001281773143 1261190805 /nfs/dbraw/zinc/19/08/05/1261190805.db2.gz FVZFXQKNINKCFJ-TZMCWYRMSA-N -1 3 362.430 0.966 10 0 FCAEHM CO[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C)C[C@H]1NC(=O)CCc1c(C)nc[n-]c1=O ZINC001281844562 1261228931 /nfs/dbraw/zinc/22/89/31/1261228931.db2.gz SJRPZTPPXLCSDB-BSLXNSKLSA-N -1 3 362.430 0.421 10 0 FCAEHM CC[C@H](F)C(=O)N[C@@H]1CN(C(=O)c2c[n-]c3ccccc3c2=O)C[C@@H]1O ZINC001281920445 1261286802 /nfs/dbraw/zinc/28/68/02/1261286802.db2.gz IXJDGGIIXPIFFF-CFVMTHIKSA-N -1 3 361.373 0.578 10 0 FCAEHM COCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2c(C)nc[n-]c2=O)CC1 ZINC001522176990 1266399990 /nfs/dbraw/zinc/39/99/90/1266399990.db2.gz DCBCOYZNRRCICY-AGIUHOORSA-N -1 3 360.414 0.779 10 0 FCAEHM CCNC(=O)CCC(=O)N1CC[C@H](NC(=O)c2c(C)nc[n-]c2=O)[C@H]1C ZINC001282379534 1261437155 /nfs/dbraw/zinc/43/71/55/1261437155.db2.gz GKMLYNJOLRJQQH-NEPJUHHUSA-N -1 3 363.418 0.126 10 0 FCAEHM C[C@@H](NC(=O)c1cn(C(F)(F)CO)nn1)c1nc(C(F)(F)F)n[n-]1 ZINC001472112179 1261438754 /nfs/dbraw/zinc/43/87/54/1261438754.db2.gz XUCAVFHUXQFGOX-SCSAIBSYSA-N -1 3 355.227 0.448 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccc(CN2CCOCC2)o1 ZINC001472253845 1261455751 /nfs/dbraw/zinc/45/57/51/1261455751.db2.gz CICFBOOTEUUMRK-ZDUSSCGKSA-N -1 3 373.413 0.616 10 0 FCAEHM Cc1cc(C)cc(C(=O)NCC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)c1 ZINC001472253494 1261455986 /nfs/dbraw/zinc/45/59/86/1261455986.db2.gz NJZHZLCQDMIDTB-HNNXBMFYSA-N -1 3 369.425 0.924 10 0 FCAEHM COC(=O)CC1CC(NC(=O)C[N-]S(=O)(=O)c2c(C)noc2C)C1 ZINC001472617929 1261479929 /nfs/dbraw/zinc/47/99/29/1261479929.db2.gz HSSUBWLIKZQVCO-UHFFFAOYSA-N -1 3 359.404 0.028 10 0 FCAEHM COc1ccc(C(=O)[N-]C(=O)CN2CCC(O)(c3ccnn3C)CC2)cc1 ZINC001473766597 1261495766 /nfs/dbraw/zinc/49/57/66/1261495766.db2.gz JJVNVSJQMBMJRZ-UHFFFAOYSA-N -1 3 372.425 0.669 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cccc(=O)[nH]2)C[C@H]1CCNC(=O)c1cnc[n-]c1=O ZINC001282545431 1261520567 /nfs/dbraw/zinc/52/05/67/1261520567.db2.gz FLRKAWZHLRBKBO-VXGBXAGGSA-N -1 3 371.397 0.811 10 0 FCAEHM C[C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1CCNC(=O)c1cnc[n-]c1=O ZINC001282546905 1261521627 /nfs/dbraw/zinc/52/16/27/1261521627.db2.gz VSCNXAUUVNMBSP-VXGBXAGGSA-N -1 3 363.418 0.052 10 0 FCAEHM COCC(=O)N1C[C@@H](C)[C@H](CCNC(=O)CCc2c(C)nc[n-]c2=O)C1 ZINC001282547593 1261521810 /nfs/dbraw/zinc/52/18/10/1261521810.db2.gz RTFWYJQSJKQCJY-TZMCWYRMSA-N -1 3 364.446 0.670 10 0 FCAEHM O=C(CNC(=O)c1ccsc1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn[n-]n1)C2 ZINC001282760432 1261615805 /nfs/dbraw/zinc/61/58/05/1261615805.db2.gz FFWFTTSSIFOLMT-WZRBSPASSA-N -1 3 374.426 0.158 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)CCC(=O)NC1CCCC1 ZINC001345479021 1261717741 /nfs/dbraw/zinc/71/77/41/1261717741.db2.gz KFONIWPAJKDHNU-YPMHNXCESA-N -1 3 362.434 0.363 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N(CCCNC(=O)[C@]12C[C@H]1COC2)C(C)C ZINC001284788481 1261788001 /nfs/dbraw/zinc/78/80/01/1261788001.db2.gz MMXIUVLSYNCWGD-UGSOOPFHSA-N -1 3 362.430 0.884 10 0 FCAEHM CC[C@H](CNC(=O)c1c(C)nc[n-]c1=O)NC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001285097136 1261809138 /nfs/dbraw/zinc/80/91/38/1261809138.db2.gz XPPCLJBPIAZXPE-NFAWXSAZSA-N -1 3 362.430 0.930 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1CC[C@H]2CN(C(=O)COCC(F)F)C[C@H]21 ZINC001288987500 1262060124 /nfs/dbraw/zinc/06/01/24/1262060124.db2.gz RSCNZMXDROZIGN-WDEREUQCSA-N -1 3 370.356 0.445 10 0 FCAEHM CCCCC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3c(C)nc[n-]c3=O)C2)CC1 ZINC001289163348 1262134609 /nfs/dbraw/zinc/13/46/09/1262134609.db2.gz NCQPVYKBPZQMRT-CHWSQXEVSA-N -1 3 362.430 0.763 10 0 FCAEHM CO[C@@H](CC(C)C)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1OC ZINC001289541825 1262244004 /nfs/dbraw/zinc/24/40/04/1262244004.db2.gz FLKSEELPURMTBR-HZSPNIEDSA-N -1 3 366.418 0.199 10 0 FCAEHM O=C(N[C@@H]1CC[C@H](CNC(=O)C(F)F)C1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001290080574 1262376869 /nfs/dbraw/zinc/37/68/69/1262376869.db2.gz RGVBUYXTIRUAJY-WCBMZHEXSA-N -1 3 365.336 0.850 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NCc1nc(CNC(=O)Cc2ccon2)cc(=O)[n-]1 ZINC001290364637 1262433483 /nfs/dbraw/zinc/43/34/83/1262433483.db2.gz VIRVRKFPBPYLOY-ZWNOBZJWSA-N -1 3 359.386 0.691 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1CNC(=O)CN1CCCC1=O ZINC001290866580 1262524326 /nfs/dbraw/zinc/52/43/26/1262524326.db2.gz VAKDWJRXWGIHDU-ZIAGYGMSSA-N -1 3 359.426 0.839 10 0 FCAEHM Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@H](CCNC(=O)[C@H]3CCCN3C)C2)c1[O-] ZINC001291583867 1262561426 /nfs/dbraw/zinc/56/14/26/1262561426.db2.gz RCHUIVMMKKMYCJ-MRVWCRGKSA-N -1 3 363.462 0.732 10 0 FCAEHM CON(C)C[C@@H](O)Cn1cc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cn1 ZINC001295117112 1262757421 /nfs/dbraw/zinc/75/74/21/1262757421.db2.gz GTDURALAHFNMET-GFCCVEGCSA-N -1 3 362.390 0.363 10 0 FCAEHM O=C(CCCNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])NC1CC1 ZINC001295732391 1262778027 /nfs/dbraw/zinc/77/80/27/1262778027.db2.gz RILSEFTWJBWEMB-UHFFFAOYSA-N -1 3 374.372 0.663 10 0 FCAEHM O=C(CCCNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O)NC1CC1 ZINC001295732391 1262778032 /nfs/dbraw/zinc/77/80/32/1262778032.db2.gz RILSEFTWJBWEMB-UHFFFAOYSA-N -1 3 374.372 0.663 10 0 FCAEHM C[C@H](CCNC(=O)c1cc(=O)[n-]c(C2CC2)n1)NC(=O)[C@]12C[C@H]1COC2 ZINC001295874983 1262782899 /nfs/dbraw/zinc/78/28/99/1262782899.db2.gz NTSCYSQYDZHRFF-MYFIVHGGSA-N -1 3 360.414 0.721 10 0 FCAEHM COc1cccc([C@@]2(C)NC(=O)N(NC(=O)c3cc(=O)[n-]cn3)C2=O)c1 ZINC001297273535 1262858275 /nfs/dbraw/zinc/85/82/75/1262858275.db2.gz LRDCXVPLONIEAK-MRXNPFEDSA-N -1 3 357.326 0.303 10 0 FCAEHM CC[C@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NC(=O)c1c(C)nc[n-]c1=O ZINC001297456019 1262870150 /nfs/dbraw/zinc/87/01/50/1262870150.db2.gz PFEVSKJHANIWMI-JWOJSXKRSA-N -1 3 360.414 0.539 10 0 FCAEHM Cc1cc(C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)c(C)n1NC(N)=O ZINC001298799650 1262942666 /nfs/dbraw/zinc/94/26/66/1262942666.db2.gz DWZRZKWNNBJBOR-UHFFFAOYSA-N -1 3 372.385 0.875 10 0 FCAEHM CC[C@H]1COCCN1CCNC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001479507608 1263233201 /nfs/dbraw/zinc/23/32/01/1263233201.db2.gz KIQNJQOHGZELIL-KBPBESRZSA-N -1 3 364.450 0.171 10 0 FCAEHM COC(=O)CC1CCN(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)CC1 ZINC001479508643 1263236216 /nfs/dbraw/zinc/23/62/16/1263236216.db2.gz PTIMPJHUCXGHEV-CYBMUJFWSA-N -1 3 363.418 0.746 10 0 FCAEHM CCO[C@@H](CC)C(=O)N1CC[C@@H](C)C[C@H]1CNCc1nc(=O)n(C)[n-]1 ZINC001479556104 1263251370 /nfs/dbraw/zinc/25/13/70/1263251370.db2.gz IJMVTLZKJCEDAO-RDBSUJKOSA-N -1 3 353.467 0.640 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)c2ccccc2[O-])CCN1CCN(C)S(C)(=O)=O ZINC001479696388 1263346290 /nfs/dbraw/zinc/34/62/90/1263346290.db2.gz BFLCVKMKJNKRRQ-OCCSQVGLSA-N -1 3 355.460 0.476 10 0 FCAEHM C[C@H](NC(=O)C(C)(C)C)C(=O)NC[C@H]1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001316657406 1263402755 /nfs/dbraw/zinc/40/27/55/1263402755.db2.gz MZHJJCAOQRFRCL-SDDRHHMPSA-N -1 3 366.466 0.436 10 0 FCAEHM O=C(NC[C@@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C1CC1)c1ncccc1[O-] ZINC001493533674 1263725679 /nfs/dbraw/zinc/72/56/79/1263725679.db2.gz JIRANNADMKUURP-JHJVBQTASA-N -1 3 355.398 0.939 10 0 FCAEHM CN1C(=O)C[C@H](C(=O)N2CCc3nc[n-]c(=O)c3C2)[C@@H]1c1cccnc1 ZINC001321542059 1263989128 /nfs/dbraw/zinc/98/91/28/1263989128.db2.gz IAIZPVQPTNFWIR-LRDDRELGSA-N -1 3 353.382 0.682 10 0 FCAEHM CC(C)[C@H](CNC(=O)c1cnc[n-]c1=O)NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001500857332 1264090607 /nfs/dbraw/zinc/09/06/07/1264090607.db2.gz ZHMUGQJZPJIRAU-WZRBSPASSA-N -1 3 358.402 0.580 10 0 FCAEHM CCc1[nH]c(=O)n(-c2cccc(NC(=O)Cc3[nH]c(O)nc3O)c2)c1[O-] ZINC001322445577 1264197652 /nfs/dbraw/zinc/19/76/52/1264197652.db2.gz DLKHWMSFNOZRPL-QWRGUYRKSA-N -1 3 359.342 0.058 10 0 FCAEHM O=C(N[C@@H](CNC(=O)[C@]12C[C@H]1COC2)C1CCCC1)c1cnc[n-]c1=O ZINC001506371982 1264315067 /nfs/dbraw/zinc/31/50/67/1264315067.db2.gz BCXCOCYTHHRMOT-YEWDVWPNSA-N -1 3 360.414 0.624 10 0 FCAEHM CN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[C@@H](CNC(=O)c1cnc[n-]c1=O)C1CC1 ZINC001510378503 1264496252 /nfs/dbraw/zinc/49/62/52/1264496252.db2.gz ZGMIEGPZMQRWID-GRFVHPPGSA-N -1 3 372.425 0.572 10 0 FCAEHM CN(C[C@@H](O)CNC(=O)c1cnc[n-]c1=O)C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001511575748 1264559478 /nfs/dbraw/zinc/55/94/78/1264559478.db2.gz BNSNJFLYOYQUDR-DMDPSCGWSA-N -1 3 350.419 0.414 10 0 FCAEHM O=C(CCOCC(F)F)N1C[C@@H]2CCN(C(=O)c3cnc[n-]c3=O)[C@@H]2C1 ZINC001512825499 1264676600 /nfs/dbraw/zinc/67/66/00/1264676600.db2.gz JNGYIZZTTSXHGN-CMPLNLGQSA-N -1 3 370.356 0.527 10 0 FCAEHM COC(=O)CCN1CCC[C@@H](OC(=O)c2cc(F)cc3[n-]nnc32)C1=O ZINC001327161245 1265243963 /nfs/dbraw/zinc/24/39/63/1265243963.db2.gz KVBZUXOPXUQPCL-GFCCVEGCSA-N -1 3 364.333 0.808 10 0 FCAEHM COC(=O)CCN1CCC[C@@H](OC(=O)c2cc(F)cc3nn[n-]c32)C1=O ZINC001327161245 1265243973 /nfs/dbraw/zinc/24/39/73/1265243973.db2.gz KVBZUXOPXUQPCL-GFCCVEGCSA-N -1 3 364.333 0.808 10 0 FCAEHM COC(=O)CCN1CCC[C@@H](OC(=O)c2cc(F)cc3n[n-]nc32)C1=O ZINC001327161245 1265243981 /nfs/dbraw/zinc/24/39/81/1265243981.db2.gz KVBZUXOPXUQPCL-GFCCVEGCSA-N -1 3 364.333 0.808 10 0 FCAEHM COC(=O)CCN1CCC[C@H](OC(=O)c2cc(F)cc3[n-]nnc32)C1=O ZINC001327161247 1265244191 /nfs/dbraw/zinc/24/41/91/1265244191.db2.gz KVBZUXOPXUQPCL-LBPRGKRZSA-N -1 3 364.333 0.808 10 0 FCAEHM COC(=O)CCN1CCC[C@H](OC(=O)c2cc(F)cc3nn[n-]c32)C1=O ZINC001327161247 1265244198 /nfs/dbraw/zinc/24/41/98/1265244198.db2.gz KVBZUXOPXUQPCL-LBPRGKRZSA-N -1 3 364.333 0.808 10 0 FCAEHM COC(=O)CCN1CCC[C@H](OC(=O)c2cc(F)cc3n[n-]nc32)C1=O ZINC001327161247 1265244213 /nfs/dbraw/zinc/24/42/13/1265244213.db2.gz KVBZUXOPXUQPCL-LBPRGKRZSA-N -1 3 364.333 0.808 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(C(=O)NCc3cn(C)nn3)CC2)n[n-]1 ZINC001332571455 1266432756 /nfs/dbraw/zinc/43/27/56/1266432756.db2.gz IHKNAYAZKWWVPV-UHFFFAOYSA-N -1 3 362.394 0.199 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(C(=O)NCc3cn(C)nn3)CC2)[n-]1 ZINC001332571455 1266432758 /nfs/dbraw/zinc/43/27/58/1266432758.db2.gz IHKNAYAZKWWVPV-UHFFFAOYSA-N -1 3 362.394 0.199 10 0 FCAEHM Cc1cc(C)n(CCCC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cn[n-]n2)C3)n1 ZINC001522301363 1266478954 /nfs/dbraw/zinc/47/89/54/1266478954.db2.gz VWEWYHWYQYOKPD-FMKPAKJESA-N -1 3 371.445 0.960 10 0 FCAEHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)[C@H]1CCc2nncn2CC1 ZINC001522938001 1266592918 /nfs/dbraw/zinc/59/29/18/1266592918.db2.gz JOEMRUAEKSEWBF-VIFPVBQESA-N -1 3 361.358 0.771 10 0 FCAEHM CC[C@@H](C(=O)N1CCC(Cc2nnn[n-]2)CC1)N1CCO[C@H](CC)C1 ZINC001528797799 1266997368 /nfs/dbraw/zinc/99/73/68/1266997368.db2.gz CRJHSJTXJDGLSJ-CABCVRRESA-N -1 3 350.467 0.870 10 0 FCAEHM CC[C@@H](C(=O)N1CCC(Cc2nn[n-]n2)CC1)N1CCO[C@H](CC)C1 ZINC001528797799 1266997373 /nfs/dbraw/zinc/99/73/73/1266997373.db2.gz CRJHSJTXJDGLSJ-CABCVRRESA-N -1 3 350.467 0.870 10 0 FCAEHM CC[C@@H](CNC(=O)[C@]12C[C@H]1COC2)NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001531242289 1267129231 /nfs/dbraw/zinc/12/92/31/1267129231.db2.gz UFCHQDZJXJXMEW-ZKTNFTSUSA-N -1 3 371.393 0.231 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCN(S(C)(=O)=O)CC2)c1 ZINC001540557860 1267452528 /nfs/dbraw/zinc/45/25/28/1267452528.db2.gz PIUZLQBZJDYIIQ-UHFFFAOYSA-N -1 3 353.400 0.234 10 0 FCAEHM CCO[N-]C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC001540568076 1267452979 /nfs/dbraw/zinc/45/29/79/1267452979.db2.gz MGQGWRCWNGYBFH-UTUOFQBUSA-N -1 3 362.448 0.724 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)Cn1cnc(-c2ccccc2)cc1=O ZINC001542941699 1267513216 /nfs/dbraw/zinc/51/32/16/1267513216.db2.gz AODVNRGOIUPJSU-AWEZNQCLSA-N -1 3 353.382 0.539 10 0 FCAEHM Cc1cn2nc(C(=O)Nc3ccccc3[N-]S(C)(=O)=O)cc2c(=O)[nH]1 ZINC001543015432 1267518768 /nfs/dbraw/zinc/51/87/68/1267518768.db2.gz JJMCIDQDSBISMZ-UHFFFAOYSA-N -1 3 361.383 0.955 10 0 FCAEHM CSc1ncc(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)c(=O)[n-]1 ZINC001543310192 1267540396 /nfs/dbraw/zinc/54/03/96/1267540396.db2.gz QYGGKGKXBWSUAL-LBPRGKRZSA-N -1 3 367.475 0.040 10 0 FCAEHM O=C(c1ccc2[nH]cnc2c1)N1CCN(C(=O)c2cnncc2[O-])CC1 ZINC001544044408 1267567690 /nfs/dbraw/zinc/56/76/90/1267567690.db2.gz BBXJFODEWFZDBS-UHFFFAOYSA-N -1 3 352.354 0.657 10 0 FCAEHM CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)CC1(O)CCOCC1 ZINC001545428132 1267614200 /nfs/dbraw/zinc/61/42/00/1267614200.db2.gz FNZOJHSADZOCFO-UHFFFAOYSA-N -1 3 360.407 0.745 10 0 FCAEHM Cc1nnnn1-c1ccc(C(=O)NCCNC(=O)c2ccc([O-])cc2)cc1 ZINC001545666958 1267619703 /nfs/dbraw/zinc/61/97/03/1267619703.db2.gz AZYXXNROTANDDW-UHFFFAOYSA-N -1 3 366.381 0.836 10 0 FCAEHM O=C([O-])CC[C@H]1C[C@@H](C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CO1 ZINC001339151439 1268175728 /nfs/dbraw/zinc/17/57/28/1268175728.db2.gz KFPVJXQMVDETGO-CABCVRRESA-N -1 3 367.446 0.023 10 0 FCAEHM CO[C@H](CC(C)C)C(=O)N1CC[C@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@H]21 ZINC001341166016 1268824951 /nfs/dbraw/zinc/82/49/51/1268824951.db2.gz DWZIMMKPRNQTAY-NWANDNLSSA-N -1 3 362.430 0.916 10 0 FCAEHM Cn1ncc2c1CN(C(=O)c1nn(-c3ccc(F)cc3)c(=O)cc1[O-])C2 ZINC001556696407 1268882357 /nfs/dbraw/zinc/88/23/57/1268882357.db2.gz NEHHPPMZWFFABP-UHFFFAOYSA-N -1 3 355.329 0.763 10 0 FCAEHM Cn1ncc2c1CN(C(=O)c1nn(-c3ccc(F)cc3)c([O-])cc1=O)C2 ZINC001556696407 1268882371 /nfs/dbraw/zinc/88/23/71/1268882371.db2.gz NEHHPPMZWFFABP-UHFFFAOYSA-N -1 3 355.329 0.763 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)[C@H](C)Sc3nncn3C)CC2)n1 ZINC001558396545 1269083321 /nfs/dbraw/zinc/08/33/21/1269083321.db2.gz FWUVSFMIJICXJZ-NSHDSACASA-N -1 3 363.447 0.449 10 0 FCAEHM CC(=O)Nc1ccc(C(=O)N2CCN(c3nc(C)cc(=O)[n-]3)CC2)nc1 ZINC001558397566 1269084171 /nfs/dbraw/zinc/08/41/71/1269084171.db2.gz PXHCBWHPDFVSQF-UHFFFAOYSA-N -1 3 356.386 0.806 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)[C@H](NC(N)=O)C(C)(C)C)CC2)n1 ZINC001558398983 1269084543 /nfs/dbraw/zinc/08/45/43/1269084543.db2.gz JWROPVZREPORAT-LBPRGKRZSA-N -1 3 350.423 0.222 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)c3ccc4n[nH]c(=O)n4c3)CC2)n1 ZINC001558397893 1269084715 /nfs/dbraw/zinc/08/47/15/1269084715.db2.gz SWOMDBVOEMEPRF-UHFFFAOYSA-N -1 3 355.358 0.201 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)c3cc4n(n3)CCCC4=O)CC2)n1 ZINC001558399423 1269084764 /nfs/dbraw/zinc/08/47/64/1269084764.db2.gz PDIOIGYAJAFQTG-UHFFFAOYSA-N -1 3 356.386 0.626 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@]1(C)CCNC1=O ZINC001558546523 1269108431 /nfs/dbraw/zinc/10/84/31/1269108431.db2.gz JOMXNRVOQWXJCO-GOSISDBHSA-N -1 3 355.398 0.468 10 0 FCAEHM CCn1c(C)cc2n[n-]c(NC(=O)c3cnc4c(c3)nnn4C)c2c1=O ZINC001559001499 1269159229 /nfs/dbraw/zinc/15/92/29/1269159229.db2.gz XSCHCQDADFYFKU-UHFFFAOYSA-N -1 3 352.358 0.982 10 0 FCAEHM COC(=O)NCCNC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001564752070 1269433663 /nfs/dbraw/zinc/43/36/63/1269433663.db2.gz YIKUFEKIBXLUJY-UHFFFAOYSA-N -1 3 354.329 0.443 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C1=NO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001565612192 1269482556 /nfs/dbraw/zinc/48/25/56/1269482556.db2.gz GCSYXRVTGQUPCR-QWRGUYRKSA-N -1 3 367.406 0.284 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H]1OCC[C@H]1NC(=O)OC(C)(C)C ZINC001565612202 1269483264 /nfs/dbraw/zinc/48/32/64/1269483264.db2.gz GNFPFSVZPNYYLI-UTUOFQBUSA-N -1 3 354.407 0.297 10 0 FCAEHM COCCC1(C(=O)N[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@H]2C)CCC1 ZINC001342498407 1269493358 /nfs/dbraw/zinc/49/33/58/1269493358.db2.gz VHJBJIPWKUUIHI-TZMCWYRMSA-N -1 3 362.430 0.966 10 0 FCAEHM COCCNC(=O)Cn1cc(NC(=O)Cc2ccc([O-])c(F)c2)cn1 ZINC001566158802 1269619034 /nfs/dbraw/zinc/61/90/34/1269619034.db2.gz IMNYXHOFWRVDTH-UHFFFAOYSA-N -1 3 350.350 0.672 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])N1CCc2c[nH]nc2C1 ZINC001566700559 1269658042 /nfs/dbraw/zinc/65/80/42/1269658042.db2.gz FJATUFUNRRAEDS-UHFFFAOYSA-N -1 3 355.329 0.796 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c([O-])cc1=O)N1CCc2c[nH]nc2C1 ZINC001566700559 1269658046 /nfs/dbraw/zinc/65/80/46/1269658046.db2.gz FJATUFUNRRAEDS-UHFFFAOYSA-N -1 3 355.329 0.796 10 0 FCAEHM CCC[C@H](OC)C(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1OC ZINC001343011994 1269728086 /nfs/dbraw/zinc/72/80/86/1269728086.db2.gz MGIWFCWNDNUKBO-FRRDWIJNSA-N -1 3 366.418 0.261 10 0 FCAEHM CCC(C)(C)C(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1OC ZINC001343075444 1269758084 /nfs/dbraw/zinc/75/80/84/1269758084.db2.gz JYHANAAPEXGOSX-VXGBXAGGSA-N -1 3 350.419 0.882 10 0 FCAEHM CC/C(C)=C/C(=O)N[C@@H]1CN(C(=O)CCc2c(C)nc[n-]c2=O)C[C@@H]1O ZINC001343342958 1269867351 /nfs/dbraw/zinc/86/73/51/1269867351.db2.gz ATZIZBSBSFVGQX-CYSMCQCQSA-N -1 3 362.430 0.467 10 0 FCAEHM C[C@H]1CN(C(=O)c2nc[n-]c(=O)c2Br)[C@@H](C)CN1CCO ZINC001570456189 1269883501 /nfs/dbraw/zinc/88/35/01/1269883501.db2.gz GCGRQKKTLHVQFA-IUCAKERBSA-N -1 3 359.224 0.472 10 0 FCAEHM C[C@H](CN(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)NCc1cc(=O)n2[n-]ccc2n1 ZINC001571397084 1269931634 /nfs/dbraw/zinc/93/16/34/1269931634.db2.gz QQOCBIJXZWSJAO-VAGZCVSGSA-N -1 3 373.457 0.774 10 0 FCAEHM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)N(C)C(=O)c1cnc[n-]c1=O ZINC001571877021 1269969110 /nfs/dbraw/zinc/96/91/10/1269969110.db2.gz KOBBTSULJPOFCR-KWCYVHTRSA-N -1 3 355.398 0.958 10 0 FCAEHM Cc1cccc([C@@H]2C[C@H]2C(=O)N2CC(CCO)(NC(=O)c3cn[n-]n3)C2)c1 ZINC001571886492 1269972484 /nfs/dbraw/zinc/97/24/84/1269972484.db2.gz PDYMVFJIPYOMSB-LSDHHAIUSA-N -1 3 369.425 0.610 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)N(CC)[C@H](C)CNC(=O)c1cnc[n-]c1=O ZINC001572674443 1270105713 /nfs/dbraw/zinc/10/57/13/1270105713.db2.gz RZUYDBSIBSIJSE-BZPMIXESSA-N -1 3 350.419 0.964 10 0 FCAEHM Cc1ccn(C[C@@H](C)C(=O)NC[C@H]2CC[C@@H](NC(=O)c3cn[n-]n3)C2)n1 ZINC001344279066 1270127933 /nfs/dbraw/zinc/12/79/33/1270127933.db2.gz UXLYYBDZFRNANK-KWCYVHTRSA-N -1 3 359.434 0.661 10 0 FCAEHM CCO[C@@H]1CN(C(=O)CCCF)C[C@H]1CNC(=O)c1c(C)nc[n-]c1=O ZINC001344417493 1270174840 /nfs/dbraw/zinc/17/48/40/1270174840.db2.gz IQRVATDQDYZUMC-CHWSQXEVSA-N -1 3 368.409 0.834 10 0 FCAEHM C[C@@H]1OCCO[C@@H]1C(=O)NCc1cc(=O)[n-]c(CNC(=O)C(C)(C)C)n1 ZINC001344651483 1270217803 /nfs/dbraw/zinc/21/78/03/1270217803.db2.gz RWIQLEGDFRUHNA-HZMBPMFUSA-N -1 3 366.418 0.265 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](NC(=O)C=Cc2ccco2)[C@@H](O)C1 ZINC001572974548 1270434965 /nfs/dbraw/zinc/43/49/65/1270434965.db2.gz QLDCYQCPWSDNLO-DRHCNIFCSA-N -1 3 358.354 0.099 10 0 FCAEHM CC[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2nnc3ccccc3c2[O-])C[C@@H]1O ZINC001572976741 1270436329 /nfs/dbraw/zinc/43/63/29/1270436329.db2.gz LWQBIQYVVIXHLI-HONMWMINSA-N -1 3 358.398 0.683 10 0 FCAEHM CC[C@@H](C)OCC(=O)N1CC[C@@H]2CN(C(=O)c3c(C)nc[n-]c3=O)[C@@H]2C1 ZINC001573064866 1270586169 /nfs/dbraw/zinc/58/61/69/1270586169.db2.gz NGOCJXBTOYTQOH-MRVWCRGKSA-N -1 3 362.430 0.979 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@H]2CCN(C(=O)COCC3CC3)C[C@H]21 ZINC001573064583 1270586189 /nfs/dbraw/zinc/58/61/89/1270586189.db2.gz IJUDIVLPSSSMBX-ZIAGYGMSSA-N -1 3 360.414 0.590 10 0 FCAEHM O=C(CCc1ncccn1)NC[C@H]1CC[C@@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001573193702 1270653192 /nfs/dbraw/zinc/65/31/92/1270653192.db2.gz ZSYGRZOVJMWHBX-QWHCGFSZSA-N -1 3 370.413 0.620 10 0 FCAEHM CC=C(C)C(=O)NCc1nc(CNC(=O)[C@H]2OCCO[C@H]2C)cc(=O)[n-]1 ZINC001573249308 1270708763 /nfs/dbraw/zinc/70/87/63/1270708763.db2.gz OCRYIVZJZABMFN-LBIIVPFTSA-N -1 3 364.402 0.185 10 0 FCAEHM COC[C@@H](C)CC(=O)N1C[C@@H]2CN(C(=O)c3cnc[n-]c3=O)CC[C@@H]2C1 ZINC001573389719 1270771099 /nfs/dbraw/zinc/77/10/99/1270771099.db2.gz SEBCICKEPSWYPU-MJBXVCDLSA-N -1 3 362.430 0.775 10 0 FCAEHM Cc1[nH]nc(C(=O)N2CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)[C@H]2C)c1[O-] ZINC001573557879 1270830188 /nfs/dbraw/zinc/83/01/88/1270830188.db2.gz ZOXONAABCDVLPG-DYEKYZERSA-N -1 3 351.451 0.729 10 0 FCAEHM CCOCC1(C(=O)N2C[C@@H](CNC(=O)c3cnc[n-]c3=O)[C@H](C)C2)CC1 ZINC001573858127 1270910017 /nfs/dbraw/zinc/91/00/17/1270910017.db2.gz VJHNHPKJWOEUPB-CHWSQXEVSA-N -1 3 362.430 0.823 10 0 FCAEHM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccccc1[O-])S(C)(=O)=O ZINC001574294317 1271169625 /nfs/dbraw/zinc/16/96/25/1271169625.db2.gz RMIGDHMJTBRVIR-XCCSTKFXSA-N -1 3 366.439 0.687 10 0 FCAEHM O=C(CCc1ccon1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O ZINC001574300208 1271174624 /nfs/dbraw/zinc/17/46/24/1271174624.db2.gz MQMOFLHNGURHPR-XBFCOCLRSA-N -1 3 357.370 0.665 10 0 FCAEHM CCN(CCCNC(=O)c1c(C)nc[n-]c1=O)C(=O)[C@H]1OCCO[C@H]1C ZINC001577637583 1274624014 /nfs/dbraw/zinc/62/40/14/1274624014.db2.gz MEUFEKQJORJBFB-JSGCOSHPSA-N -1 3 366.418 0.263 10 0 FCAEHM Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@H](CNC(=O)c1cnc[n-]c1=O)C1CC1 ZINC001578160318 1275458530 /nfs/dbraw/zinc/45/85/30/1275458530.db2.gz YBKSEVNVNBKTAU-YRGRVCCFSA-N -1 3 370.413 0.344 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N(C)CCOCCNC(=O)[C@]12C[C@H]1CCC2 ZINC001718476007 1287507571 /nfs/dbraw/zinc/50/75/71/1287507571.db2.gz SQSDFCPGJSQIAG-FZKQIMNGSA-N -1 3 362.430 0.886 10 0 FCAEHM Cc1nc(C)c(CC(=O)NC[C@H](C)CNC(=O)[C@]23C[C@H]2COC3)c(=O)[n-]1 ZINC001582837520 1282037886 /nfs/dbraw/zinc/03/78/86/1282037886.db2.gz MMUHVLLLLWVZGV-IMQJOWEQSA-N -1 3 362.430 0.247 10 0 FCAEHM CC(C)C[C@@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NC(=O)c1cnc[n-]c1=O ZINC001582861003 1282043697 /nfs/dbraw/zinc/04/36/97/1282043697.db2.gz PCAHPQLWTQXWAM-GHJPUPADSA-N -1 3 374.441 0.866 10 0 FCAEHM CC1(C)NC(=O)N(CCCC(=O)NCc2cc(=O)[n-]c(=S)[nH]2)C1=O ZINC001583369336 1282085431 /nfs/dbraw/zinc/08/54/31/1282085431.db2.gz SHSNWOPVOROTTI-UHFFFAOYSA-N -1 3 353.404 0.198 10 0 FCAEHM CSC[C@@H](CCO)NC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001631670938 1282106056 /nfs/dbraw/zinc/10/60/56/1282106056.db2.gz JQFIMDOOVCXYOT-LLVKDONJSA-N -1 3 367.402 0.718 10 0 FCAEHM CSC[C@@H](CCO)NC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001631670938 1282106070 /nfs/dbraw/zinc/10/60/70/1282106070.db2.gz JQFIMDOOVCXYOT-LLVKDONJSA-N -1 3 367.402 0.718 10 0 FCAEHM COC(=O)[C@@H](C[C@@H]1CCCO1)NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC001584196692 1282143069 /nfs/dbraw/zinc/14/30/69/1282143069.db2.gz JDCHUPXARKYXLR-GXTWGEPZSA-N -1 3 351.403 0.959 10 0 FCAEHM Cn1ccnc1[C@H](O)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001632289970 1282168540 /nfs/dbraw/zinc/16/85/40/1282168540.db2.gz FCWNBSMTXPFLLZ-CQSZACIVSA-N -1 3 368.401 0.581 10 0 FCAEHM Cn1ccnc1[C@H](O)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001632289970 1282168546 /nfs/dbraw/zinc/16/85/46/1282168546.db2.gz FCWNBSMTXPFLLZ-CQSZACIVSA-N -1 3 368.401 0.581 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C ZINC001585158949 1282207261 /nfs/dbraw/zinc/20/72/61/1282207261.db2.gz YLMHFLQRQAUWKJ-MNOVXSKESA-N -1 3 356.448 0.925 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)Cn1cc(C=O)c(-c2ccccc2)n1 ZINC001585163501 1282207305 /nfs/dbraw/zinc/20/73/05/1282207305.db2.gz KYGPPTBUBCFUQI-HNNXBMFYSA-N -1 3 353.382 0.991 10 0 FCAEHM O=C(Cn1cnc2c3ccccc3oc2c1=O)NCCCc1c[n-][nH]c1=O ZINC001585933353 1282257492 /nfs/dbraw/zinc/25/74/92/1282257492.db2.gz GSNPJOWRKBQJTE-LLVKDONJSA-N -1 3 367.365 0.771 10 0 FCAEHM C[C@H](NS(=O)(=O)c1cccs1)C(=O)NCCCc1c[n-][nH]c1=O ZINC001634139063 1282303603 /nfs/dbraw/zinc/30/36/03/1282303603.db2.gz XIBAGJZLQLTJEU-VHSXEESVSA-N -1 3 358.445 0.043 10 0 FCAEHM COc1ccccc1[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)N1CCCC1 ZINC001586865449 1282317661 /nfs/dbraw/zinc/31/76/61/1282317661.db2.gz KYFWPPNLXXFAME-CYBMUJFWSA-N -1 3 361.402 0.651 10 0 FCAEHM NS(=O)(=O)Cc1cccc(C(=O)NCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC001634445401 1282330725 /nfs/dbraw/zinc/33/07/25/1282330725.db2.gz CTOISHLDLIAFPV-UHFFFAOYSA-N -1 3 362.411 0.778 10 0 FCAEHM COc1ncc(C=CC(=O)N[C@H]2CCN(c3nc(C)cc(=O)[n-]3)C2)cn1 ZINC001634682499 1282346144 /nfs/dbraw/zinc/34/61/44/1282346144.db2.gz ADYOGQWHOZBHIA-OOPCZODUSA-N -1 3 356.386 0.698 10 0 FCAEHM C[C@H](C(=O)Nc1ncc(S(=O)(=O)[N-]C(C)(C)C)s1)S(C)(=O)=O ZINC001588298901 1282415928 /nfs/dbraw/zinc/41/59/28/1282415928.db2.gz AVNJQCBQVQMEDX-SSDOTTSWSA-N -1 3 369.490 0.592 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](CS(N)(=O)=O)C2)c1 ZINC001636512429 1282507216 /nfs/dbraw/zinc/50/72/16/1282507216.db2.gz GIMKRNWUBULTKM-SNVBAGLBSA-N -1 3 353.400 0.267 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)N(C)C[C@@H](O)CN(C)C(=O)c1c(C)nc[n-]c1=O ZINC001718785984 1287577506 /nfs/dbraw/zinc/57/75/06/1287577506.db2.gz XMSFHUZDOFRJCU-JHJVBQTASA-N -1 3 350.419 0.428 10 0 FCAEHM CC1(C)C[C@H](NC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])C(=O)O1 ZINC001636596911 1282521192 /nfs/dbraw/zinc/52/11/92/1282521192.db2.gz TVFLEVSSGLZAFX-NSHDSACASA-N -1 3 361.329 0.698 10 0 FCAEHM CC1(C)C[C@H](NC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)C(=O)O1 ZINC001636596911 1282521204 /nfs/dbraw/zinc/52/12/04/1282521204.db2.gz TVFLEVSSGLZAFX-NSHDSACASA-N -1 3 361.329 0.698 10 0 FCAEHM CN(C)S(=O)(=O)c1ccsc1C(=O)NCc1cc(=O)c([O-])co1 ZINC001636737826 1282532819 /nfs/dbraw/zinc/53/28/19/1282532819.db2.gz CTUHWMQPTDVQJN-UHFFFAOYSA-N -1 3 358.397 0.587 10 0 FCAEHM Cc1cc(C)n2ncc(C(=O)N[C@H]3CCN(c4cc(=O)[n-]cn4)C3)c2n1 ZINC001636849701 1282540934 /nfs/dbraw/zinc/54/09/34/1282540934.db2.gz CKINODKPLADRJM-LBPRGKRZSA-N -1 3 353.386 0.850 10 0 FCAEHM CS(=O)(=O)C1(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)CCCC1 ZINC001636854985 1282542416 /nfs/dbraw/zinc/54/24/16/1282542416.db2.gz ILJFZOMJMSOXNM-LLVKDONJSA-N -1 3 354.432 0.235 10 0 FCAEHM CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)c2cc(OC)c([O-])c(OC)c2)C1 ZINC001637076384 1282560824 /nfs/dbraw/zinc/56/08/24/1282560824.db2.gz IFFCUDKJUWVZPW-VXGBXAGGSA-N -1 3 368.386 0.588 10 0 FCAEHM COC(=O)[C@@]1(C)CCCN(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)C1 ZINC001638868593 1282728294 /nfs/dbraw/zinc/72/82/94/1282728294.db2.gz JUTSYMFHLHGTTR-SJCJKPOMSA-N -1 3 363.418 0.746 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)NC1(c2ncccn2)CCC1 ZINC001638868186 1282728729 /nfs/dbraw/zinc/72/87/29/1282728729.db2.gz GHLPFHMBYPNFCV-LBPRGKRZSA-N -1 3 355.402 0.930 10 0 FCAEHM CC[C@H](NC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)[C@H](O)C(F)(F)F ZINC001638865059 1282729354 /nfs/dbraw/zinc/72/93/54/1282729354.db2.gz GCCHFLSESWHUPK-AUTRQRHGSA-N -1 3 363.340 0.762 10 0 FCAEHM Cn1cc(/C=C\C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)c(=O)n(C)c1=O ZINC001638877244 1282730016 /nfs/dbraw/zinc/73/00/16/1282730016.db2.gz WZSUBKDYMZEQLN-XQRVVYSFSA-N -1 3 371.332 0.055 10 0 FCAEHM Cc1cc(=O)[n-]c(CNC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)n1 ZINC001639657031 1282804034 /nfs/dbraw/zinc/80/40/34/1282804034.db2.gz MWCVYJZENCSLIE-GOSISDBHSA-N -1 3 369.381 0.574 10 0 FCAEHM O=C(Cn1c(=O)[n-][nH]c1=O)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC001639799555 1282815628 /nfs/dbraw/zinc/81/56/28/1282815628.db2.gz SUJUARDPEOQXQO-LSDHHAIUSA-N -1 3 373.413 0.191 10 0 FCAEHM CC(C)C(=O)N1CCC(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)CC1 ZINC001640104301 1282837747 /nfs/dbraw/zinc/83/77/47/1282837747.db2.gz AYOFJRGVYVMQGL-CQSZACIVSA-N -1 3 361.446 0.772 10 0 FCAEHM COc1cccc(C[C@H](O)C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)c1 ZINC001640110566 1282839469 /nfs/dbraw/zinc/83/94/69/1282839469.db2.gz SHOVTKJGCWXOKN-HIFRSBDPSA-N -1 3 358.398 0.489 10 0 FCAEHM COc1cccc2c(C(=O)N[C@@H]3CCN(c4cc(=O)[n-]cn4)C3)cnn21 ZINC001640110591 1282839955 /nfs/dbraw/zinc/83/99/55/1282839955.db2.gz TXJBIPJPPMUZKA-LLVKDONJSA-N -1 3 354.370 0.847 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)cn1 ZINC001640132836 1282842890 /nfs/dbraw/zinc/84/28/90/1282842890.db2.gz SIODNSDEXCIVCG-KGLIPLIRSA-N -1 3 368.459 0.124 10 0 FCAEHM C[C@@H](NC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])c1nccc(N)n1 ZINC001641422426 1282946194 /nfs/dbraw/zinc/94/61/94/1282946194.db2.gz WZTCTIKVNNSRMW-SECBINFHSA-N -1 3 370.344 0.737 10 0 FCAEHM C[C@@H](NC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O)c1nccc(N)n1 ZINC001641422426 1282946204 /nfs/dbraw/zinc/94/62/04/1282946204.db2.gz WZTCTIKVNNSRMW-SECBINFHSA-N -1 3 370.344 0.737 10 0 FCAEHM Cc1cc(NC(=O)CSCC(=O)NCCCc2c[n-][nH]c2=O)no1 ZINC001642446262 1283011992 /nfs/dbraw/zinc/01/19/92/1283011992.db2.gz UUPNVWNFOLOEMX-JTQLQIEISA-N -1 3 353.404 0.283 10 0 FCAEHM CCOC(=O)C[C@H](C)CNC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001681245708 1283488877 /nfs/dbraw/zinc/48/88/77/1283488877.db2.gz GAYZSYLVXWSQCV-RYUDHWBXSA-N -1 3 351.407 0.649 10 0 FCAEHM COc1ccc(CNC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)c(OC)n1 ZINC001681711838 1283507416 /nfs/dbraw/zinc/50/74/16/1283507416.db2.gz LZOFOOHJHPPWEM-GFCCVEGCSA-N -1 3 374.401 0.673 10 0 FCAEHM CCC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CN(C(=O)c3ccccc3[O-])C[C@H]21 ZINC001682234443 1283542348 /nfs/dbraw/zinc/54/23/48/1283542348.db2.gz HIBYYACBXHSNKQ-KCQAQPDRSA-N -1 3 359.426 0.980 10 0 FCAEHM CC(C)COCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001682338463 1283573321 /nfs/dbraw/zinc/57/33/21/1283573321.db2.gz WSIVFLDYTRWCDJ-GDBMZVCRSA-N -1 3 350.415 0.756 10 0 FCAEHM CO[C@H](CNC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)[C@@H]1CCOC1 ZINC001682629464 1283728522 /nfs/dbraw/zinc/72/85/22/1283728522.db2.gz IODWHUNIHIVYLF-FRRDWIJNSA-N -1 3 351.407 0.112 10 0 FCAEHM COC(=O)C[C@H](CNC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)C1CC1 ZINC001682728401 1283761100 /nfs/dbraw/zinc/76/11/00/1283761100.db2.gz WLTASGAQACVISO-OLZOCXBDSA-N -1 3 363.418 0.649 10 0 FCAEHM CC(C)OCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001719078134 1287667954 /nfs/dbraw/zinc/66/79/54/1287667954.db2.gz PZDCNPLFLOYRIF-GDBMZVCRSA-N -1 3 350.415 0.899 10 0 FCAEHM CCCSCC(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1OC ZINC001683164072 1283877438 /nfs/dbraw/zinc/87/74/38/1283877438.db2.gz TVXDGIXUURRRLI-VXGBXAGGSA-N -1 3 368.459 0.589 10 0 FCAEHM CNC(=O)CCCC(=O)NC[C@H]1CC[C@@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001684377948 1284168436 /nfs/dbraw/zinc/16/84/36/1284168436.db2.gz TUJGXUJBLSTCTO-NWDGAFQWSA-N -1 3 363.418 0.113 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC001684556215 1284200321 /nfs/dbraw/zinc/20/03/21/1284200321.db2.gz LUEGHYTVBXIMHJ-ZANVPECISA-N -1 3 361.324 0.470 10 0 FCAEHM C[C@H](NC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)C(=O)NC(C)(C)C ZINC001684556950 1284201702 /nfs/dbraw/zinc/20/17/02/1284201702.db2.gz XDEZCENKUZBSEP-QWRGUYRKSA-N -1 3 350.423 0.363 10 0 FCAEHM Cc1noc([C@H]2CCCN2C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)n1 ZINC001684562732 1284203029 /nfs/dbraw/zinc/20/30/29/1284203029.db2.gz WVTWMVXWOYUOAC-VXGBXAGGSA-N -1 3 359.390 0.999 10 0 FCAEHM C[C@@H](CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1)C(C)(C)C ZINC001719107806 1287753482 /nfs/dbraw/zinc/75/34/82/1287753482.db2.gz CYYUESYGSMTELD-CYZMBNFOSA-N -1 3 350.419 0.556 10 0 FCAEHM CS[C@H](C)CC(=O)N1C[C@H]2CCN(C(=O)c3cnc[n-]c3=O)C[C@H]21 ZINC001702404857 1285643981 /nfs/dbraw/zinc/64/39/81/1285643981.db2.gz FBKDGFWITFGTIQ-NQBHXWOUSA-N -1 3 350.444 0.997 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@@]2(F)CCOC2)n1 ZINC001702603585 1285750675 /nfs/dbraw/zinc/75/06/75/1285750675.db2.gz AZFVKIYFDQMAJH-ILMHXZGMSA-N -1 3 366.393 0.589 10 0 FCAEHM CCOCC(=O)N[C@H]1CCN(C(=O)CCc2c(C)nc[n-]c2=O)[C@@H]1CC ZINC001702612342 1285751693 /nfs/dbraw/zinc/75/16/93/1285751693.db2.gz WMFSXSGCVVKGGC-LSDHHAIUSA-N -1 3 364.446 0.955 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)CCNC(=O)NC)CCN1C(=O)c1ccccc1[O-] ZINC001702627348 1285759334 /nfs/dbraw/zinc/75/93/34/1285759334.db2.gz KXPHRUGTZXXRLF-UONOGXRCSA-N -1 3 362.430 0.821 10 0 FCAEHM CCOCCCC(=O)NC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001702784020 1285860320 /nfs/dbraw/zinc/86/03/20/1285860320.db2.gz DYLQLWLKJUUOOK-CHWSQXEVSA-N -1 3 350.419 0.823 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CNC(=O)COC(C)(C)C ZINC001702799164 1285880826 /nfs/dbraw/zinc/88/08/26/1285880826.db2.gz QEZJOSBPIWICRG-VXGBXAGGSA-N -1 3 350.419 0.822 10 0 FCAEHM C[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1CCNC(=O)c1ccccc1[O-] ZINC001702826630 1285919492 /nfs/dbraw/zinc/91/94/92/1285919492.db2.gz CDVVMEJWZHRZCH-ZIAGYGMSSA-N -1 3 357.414 0.898 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CCNC(=O)C1=CCOCC1 ZINC001702835568 1285927786 /nfs/dbraw/zinc/92/77/86/1285927786.db2.gz LTVPNKQVMXFPLC-TZMCWYRMSA-N -1 3 360.414 0.743 10 0 FCAEHM Cc1nonc1C(=O)NCC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001702843091 1285936941 /nfs/dbraw/zinc/93/69/41/1285936941.db2.gz UXDIUYMKJBBALJ-MWLCHTKSSA-N -1 3 360.374 0.402 10 0 FCAEHM C=C/C(C)=C\CC(=O)N1C[C@@H](NC(=O)c2cccc3n[n-]nc32)[C@@H](O)C1 ZINC001735927948 1289042972 /nfs/dbraw/zinc/04/29/72/1289042972.db2.gz YSDYLUCCHCCDQX-PHACEPHWSA-N -1 3 355.398 0.782 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C(=O)C(C)(C)C)C2 ZINC001702967731 1286026242 /nfs/dbraw/zinc/02/62/42/1286026242.db2.gz AIEFYLTWFSLBFT-UTUOFQBUSA-N -1 3 360.414 0.968 10 0 FCAEHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CC(CO)(CO)C1 ZINC001595388014 1286245097 /nfs/dbraw/zinc/24/50/97/1286245097.db2.gz PXPIQEXAQZDDSX-UHFFFAOYSA-N -1 3 367.199 0.717 10 0 FCAEHM O=C(NCCNC(=O)C1CC2(C1)CS(=O)(=O)C2)c1ccc([O-])cc1 ZINC001595752892 1286263128 /nfs/dbraw/zinc/26/31/28/1286263128.db2.gz SXPFKBUJHJKXRB-UHFFFAOYSA-N -1 3 352.412 0.063 10 0 FCAEHM Cn1nccc1[C@@H]1C[C@H]1C(=O)NCC1(NC(=O)c2cn[n-]n2)CCCC1 ZINC001704700192 1286285305 /nfs/dbraw/zinc/28/53/05/1286285305.db2.gz XQMGIRCIIDPPIQ-VXGBXAGGSA-N -1 3 357.418 0.501 10 0 FCAEHM C[C@H](CNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)CNC(=O)[C@]12C[C@H]1COC2 ZINC001704777760 1286296240 /nfs/dbraw/zinc/29/62/40/1286296240.db2.gz CIDFGPWKKKBDLI-FKWBGFQESA-N -1 3 371.393 0.089 10 0 FCAEHM CCOC(=O)NCCCC(=O)N1CCN(c2nc(C)cc(=O)[n-]2)CC1 ZINC001596360316 1286298232 /nfs/dbraw/zinc/29/82/32/1286298232.db2.gz MAMIDMSFAKGOEQ-UHFFFAOYSA-N -1 3 351.407 0.666 10 0 FCAEHM Cc1ccccc1CCC(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1O ZINC001719139623 1287807998 /nfs/dbraw/zinc/80/79/98/1287807998.db2.gz QUIDISQYTPDDAD-HZPDHXFCSA-N -1 3 370.409 0.425 10 0 FCAEHM O=C(CCc1ncccn1)N[C@@H]1CC[C@H](CNC(=O)c2cnc[n-]c2=O)C1 ZINC001719455765 1288124969 /nfs/dbraw/zinc/12/49/69/1288124969.db2.gz JPBNDEIEUCSYPU-QWHCGFSZSA-N -1 3 370.413 0.620 10 0 FCAEHM CO[C@H](C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)c1cnc[n-]c1=O)C1CC1 ZINC001719508386 1288159478 /nfs/dbraw/zinc/15/94/78/1288159478.db2.gz PSYROJLRDJVVGF-ZLDLUXBVSA-N -1 3 362.430 0.964 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2c(C)nc[n-]c2=O)CCN1C(=O)[C@H](COC)OC ZINC001719555756 1288179151 /nfs/dbraw/zinc/17/91/51/1288179151.db2.gz CKMPKYPXNMWYJH-XQQFMLRXSA-N -1 3 366.418 0.261 10 0 FCAEHM Cn1[n-]c(CN(CCCNC(=O)[C@@H]2C[C@H]2c2ccncc2)C2CC2)nc1=O ZINC001731333152 1288551356 /nfs/dbraw/zinc/55/13/56/1288551356.db2.gz GTTCMTIJYFJBTR-JKSUJKDBSA-N -1 3 370.457 0.778 10 0 FCAEHM O=C(NC[C@@H](O)CNCc1cc(=O)n2[n-]ccc2n1)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001732643819 1288587461 /nfs/dbraw/zinc/58/74/61/1288587461.db2.gz GEXDZZFXKZYUTD-BFJAYTPKSA-N -1 3 371.441 0.192 10 0 FCAEHM CN(CC(C)(C)CNCc1n[nH]c(=O)[n-]1)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001734018985 1288638484 /nfs/dbraw/zinc/63/84/84/1288638484.db2.gz RRDMTHWFBKZOLF-OCCSQVGLSA-N -1 3 351.451 0.900 10 0 FCAEHM O=C(N[C@H](CO)CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)c1ccccc1[O-] ZINC001735277816 1288717456 /nfs/dbraw/zinc/71/74/56/1288717456.db2.gz LMLPFMKMVNVSNT-CWRNSKLLSA-N -1 3 362.426 0.662 10 0 FCAEHM C[C@@H](CC(=O)N1C[C@@H]2CCN(C(=O)c3ccccc3[O-])[C@@H]2C1)NC(N)=O ZINC001735686843 1288766478 /nfs/dbraw/zinc/76/64/78/1288766478.db2.gz BOWSNGNNPOMOJJ-SGMGOOAPSA-N -1 3 360.414 0.512 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2cnc[n-]c2=O)CCN1C(=O)CCCC(=O)NC ZINC001736198514 1289196329 /nfs/dbraw/zinc/19/63/29/1289196329.db2.gz IDAUAZRCRCEUSI-QWHCGFSZSA-N -1 3 363.418 0.208 10 0 FCAEHM COCCCCC(=O)N1C[C@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@@]2(C)C1 ZINC001736328816 1289256919 /nfs/dbraw/zinc/25/69/19/1289256919.db2.gz MGVISJRKBPQEBI-SCLBCKFNSA-N -1 3 362.430 0.919 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CCNC(=O)c1cncnc1 ZINC001736402616 1289315325 /nfs/dbraw/zinc/31/53/25/1289315325.db2.gz KZKGSVHIWOYTSG-VXGBXAGGSA-N -1 3 356.386 0.500 10 0 FCAEHM O=C(NCCCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)c1cnc(C2CC2)[n-]c1=O ZINC001736935640 1289497666 /nfs/dbraw/zinc/49/76/66/1289497666.db2.gz LTTNBXRJVWIXLT-VXGBXAGGSA-N -1 3 370.413 0.823 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)NC[C@H](C)NC(=O)CCc1c(C)nc[n-]c1=O ZINC001737569861 1289560949 /nfs/dbraw/zinc/56/09/49/1289560949.db2.gz SAIYHHFTPKZEJV-GHJWDPDVSA-N -1 3 364.446 0.859 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@H](C)NCc1cc(=O)n2[n-]ccc2n1 ZINC001700754334 1289606179 /nfs/dbraw/zinc/60/61/79/1289606179.db2.gz QIQZJYJROCIDFB-AHIWAGSCSA-N -1 3 361.446 0.774 10 0 FCAEHM O=C(Cc1cnc[nH]1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC001610890682 1289618642 /nfs/dbraw/zinc/61/86/42/1289618642.db2.gz LETQGZMXCOCJRK-UHFFFAOYSA-N -1 3 366.399 0.317 10 0 FCAEHM CN1C(=O)CO[C@H](C(=O)Nc2n[n-]c(-c3ccco3)n2)[C@H]1c1cccnc1 ZINC001610939798 1289620659 /nfs/dbraw/zinc/62/06/59/1289620659.db2.gz KDCAPDJECZOEGP-KGLIPLIRSA-N -1 3 368.353 0.997 10 0 FCAEHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC001611326092 1289641328 /nfs/dbraw/zinc/64/13/28/1289641328.db2.gz DKCLFJKXZAZQIX-KRWDZBQOSA-N -1 3 362.407 0.611 10 0 FCAEHM CCOC(=O)N1C[C@@H](CO)[C@@H](NC(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC001611693299 1289666266 /nfs/dbraw/zinc/66/62/66/1289666266.db2.gz QFHWGUWPCMNPSC-NHYWBVRUSA-N -1 3 359.382 0.707 10 0 FCAEHM O=C(c1ccc(-c2nc(=O)o[n-]2)cc1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001611685679 1289666570 /nfs/dbraw/zinc/66/65/70/1289666570.db2.gz LZQGTBGPNJUPPN-LSDHHAIUSA-N -1 3 358.398 0.701 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H](C)CN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001701646001 1289676557 /nfs/dbraw/zinc/67/65/57/1289676557.db2.gz POGRAJFUNYOELO-FIWWZFGMSA-N -1 3 360.414 0.491 10 0 FCAEHM O=C(N[C@@H](CO)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)c1cccc2n[n-]nc21 ZINC001701708520 1289695079 /nfs/dbraw/zinc/69/50/79/1289695079.db2.gz SEWCLGPQXXCHRP-SFDCQRBFSA-N -1 3 371.441 0.991 10 0 FCAEHM O=C(N[C@H](CO)CNC(=O)[C@]12C[C@H]1CCC2)c1cc(=O)[n-]c(C2CC2)n1 ZINC001701708363 1289695563 /nfs/dbraw/zinc/69/55/63/1289695563.db2.gz ZKLBMZNCPDNNFY-FTLABTOESA-N -1 3 360.414 0.457 10 0 FCAEHM COc1ccnc(N2CCN(C(=O)CCCn3c(=O)[n-][nH]c3=O)CC2)c1 ZINC001616579109 1289783832 /nfs/dbraw/zinc/78/38/32/1289783832.db2.gz BXAAMNHBFAYWNU-UHFFFAOYSA-N -1 3 362.390 0.222 10 0 FCAEHM COC(=O)N1CCC([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001616827802 1289796226 /nfs/dbraw/zinc/79/62/26/1289796226.db2.gz MBFPJCCHQPXNGV-SNVBAGLBSA-N -1 3 359.390 0.858 10 0 FCAEHM COC(=O)N1CCC([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001616827802 1289796230 /nfs/dbraw/zinc/79/62/30/1289796230.db2.gz MBFPJCCHQPXNGV-SNVBAGLBSA-N -1 3 359.390 0.858 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H](F)C(C)C)C1 ZINC001702209254 1289873186 /nfs/dbraw/zinc/87/31/86/1289873186.db2.gz PXPVKKDUDOMMKE-UMVBOHGHSA-N -1 3 368.409 0.105 10 0 FCAEHM COC(=O)Cc1n[n-]c(NC(=O)c2c(C)c(Br)c[nH]c2=O)n1 ZINC001618405522 1289904354 /nfs/dbraw/zinc/90/43/54/1289904354.db2.gz YZAVPLWHJQJPEP-UHFFFAOYSA-N -1 3 370.163 0.944 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)c2c(C)c(Br)c[nH]c2=O)n[n-]1 ZINC001618405522 1289904362 /nfs/dbraw/zinc/90/43/62/1289904362.db2.gz YZAVPLWHJQJPEP-UHFFFAOYSA-N -1 3 370.163 0.944 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N(C)C1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001739465836 1290048375 /nfs/dbraw/zinc/04/83/75/1290048375.db2.gz XDJZNDHJYXWPDU-BMFZPTHFSA-N -1 3 374.441 0.660 10 0 FCAEHM Cn1cc([C@@H](O)CNC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])cn1 ZINC001622383224 1290125767 /nfs/dbraw/zinc/12/57/67/1290125767.db2.gz RNWMXVPJQDSCHR-AWEZNQCLSA-N -1 3 373.344 0.071 10 0 FCAEHM Cn1cc([C@@H](O)CNC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)cn1 ZINC001622383224 1290125769 /nfs/dbraw/zinc/12/57/69/1290125769.db2.gz RNWMXVPJQDSCHR-AWEZNQCLSA-N -1 3 373.344 0.071 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](CCC(=O)OC)C(=O)OC)c1 ZINC001623372519 1290216351 /nfs/dbraw/zinc/21/63/51/1290216351.db2.gz RMFCISUTHRRZCX-GFCCVEGCSA-N -1 3 364.354 0.741 10 0 FCAEHM CCOC(=O)c1cc(NC(=O)CN2CCCC3(CC3)S2(=O)=O)[n-]n1 ZINC001624435818 1290272149 /nfs/dbraw/zinc/27/21/49/1290272149.db2.gz IIYOQGCAVVSWFI-UHFFFAOYSA-N -1 3 356.404 0.483 10 0 FCAEHM CCOC(=O)c1cc(NC(=O)CN2CCCC3(CC3)S2(=O)=O)n[n-]1 ZINC001624435818 1290272159 /nfs/dbraw/zinc/27/21/59/1290272159.db2.gz IIYOQGCAVVSWFI-UHFFFAOYSA-N -1 3 356.404 0.483 10 0 FCAEHM COCC1(O)CN(C(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C1 ZINC001624972446 1290310922 /nfs/dbraw/zinc/31/09/22/1290310922.db2.gz ZYIZXHBCVMQVCQ-UHFFFAOYSA-N -1 3 361.354 0.774 10 0 FCAEHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001625559081 1290348559 /nfs/dbraw/zinc/34/85/59/1290348559.db2.gz GLRSXERNABBZMR-QMMMGPOBSA-N -1 3 363.189 0.006 10 0 FCAEHM O=C(c1nc[n-]c(=O)c1Br)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC001626345655 1290391374 /nfs/dbraw/zinc/39/13/74/1290391374.db2.gz LNMTWZGUDFQTNG-UWVGGRQHSA-N -1 3 371.235 0.616 10 0 FCAEHM CCCN(C)CC(=O)NC[C@H]1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001739895557 1290428437 /nfs/dbraw/zinc/42/84/37/1290428437.db2.gz GMARXJDJCPAGNQ-QWHCGFSZSA-N -1 3 351.451 0.780 10 0 FCAEHM COC[C@H](C)C(=O)N1C[C@H]2CN(C(=O)c3c(C)nc[n-]c3=O)C[C@@]2(C)C1 ZINC001740137616 1290497593 /nfs/dbraw/zinc/49/75/93/1290497593.db2.gz BXLHVYMLZOFNBA-RRUGBERISA-N -1 3 362.430 0.694 10 0 FCAEHM CC1(C)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)cn2)C[C@H]1N1CCOCC1 ZINC001628239996 1290519689 /nfs/dbraw/zinc/51/96/89/1290519689.db2.gz QMCUIDVBEUJDCX-ZIAGYGMSSA-N -1 3 357.418 0.491 10 0 FCAEHM CC1(C)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)cn2)C[C@H]1N1CCOCC1 ZINC001628239996 1290519698 /nfs/dbraw/zinc/51/96/98/1290519698.db2.gz QMCUIDVBEUJDCX-ZIAGYGMSSA-N -1 3 357.418 0.491 10 0 FCAEHM CS(=O)(=O)c1ccc(C=CC(=O)NCc2cc(=O)[n-]c(=S)[nH]2)o1 ZINC001628259183 1290520757 /nfs/dbraw/zinc/52/07/57/1290520757.db2.gz PLIFLDRTKIGCFL-RQOWECAXSA-N -1 3 355.397 0.797 10 0 FCAEHM CCNS(=O)(=O)c1cccc(C(=O)NCCc2c(C)[n-][nH]c2=O)c1 ZINC001628269937 1290521352 /nfs/dbraw/zinc/52/13/52/1290521352.db2.gz KDJSCYUAYIYAAG-ZDUSSCGKSA-N -1 3 352.416 0.227 10 0 FCAEHM Cc1noc(COc2ccc(C(=O)NCCc3c(C)[n-][nH]c3=O)cn2)n1 ZINC001628274328 1290523340 /nfs/dbraw/zinc/52/33/40/1290523340.db2.gz HIPCLTITVKWKLZ-GFCCVEGCSA-N -1 3 358.358 0.594 10 0 FCAEHM COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1c(C)[n-][nH]c1=O ZINC001628274807 1290523623 /nfs/dbraw/zinc/52/36/23/1290523623.db2.gz QRFBTBCRBSCHSE-QWRGUYRKSA-N -1 3 370.406 0.071 10 0 FCAEHM O=C(NCc1ncc2c(n1)CCOC2)c1ccc(-n2[n-]c(=O)[nH]c2=O)cc1 ZINC001628541086 1290540764 /nfs/dbraw/zinc/54/07/64/1290540764.db2.gz XJJVFWMZDYRQRA-UHFFFAOYSA-N -1 3 368.353 0.059 10 0 FCAEHM CO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O)C1CCC1 ZINC001740377908 1290549607 /nfs/dbraw/zinc/54/96/07/1290549607.db2.gz ZCLIFENMFVQKGE-REBRKWNGSA-N -1 3 360.414 0.859 10 0 FCAEHM CC(C)(C)OC(=O)N[C@H]1CCO[C@@](C)(C(=O)[N-]c2nnc3[nH]cnn23)C1 ZINC001628997672 1290568824 /nfs/dbraw/zinc/56/88/24/1290568824.db2.gz AUHQHXHWWIFMJX-BJOHPYRUSA-N -1 3 365.394 0.853 10 0 FCAEHM CCOC(=O)c1nc([C@@H](C)NC(=O)CCCCN2CCOCC2)n[n-]1 ZINC001629030289 1290570797 /nfs/dbraw/zinc/57/07/97/1290570797.db2.gz WZFRPZYRODNFOH-GFCCVEGCSA-N -1 3 353.423 0.661 10 0 FCAEHM CCOC(=O)c1nnc([C@@H](C)NC(=O)CCCCN2CCOCC2)[n-]1 ZINC001629030289 1290570802 /nfs/dbraw/zinc/57/08/02/1290570802.db2.gz WZFRPZYRODNFOH-GFCCVEGCSA-N -1 3 353.423 0.661 10 0 FCAEHM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)CCCCN2CCOCC2)n1 ZINC001629030289 1290570810 /nfs/dbraw/zinc/57/08/10/1290570810.db2.gz WZFRPZYRODNFOH-GFCCVEGCSA-N -1 3 353.423 0.661 10 0 FCAEHM CC(C)(C)OC(=O)NC1(CC(=O)NCCCc2cc(=O)[nH][n-]2)COC1 ZINC001629042546 1290572417 /nfs/dbraw/zinc/57/24/17/1290572417.db2.gz DSQFUYLPUGHOIX-UHFFFAOYSA-N -1 3 354.407 0.443 10 0 FCAEHM CC[S@@](=O)CCNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001629132229 1290580235 /nfs/dbraw/zinc/58/02/35/1290580235.db2.gz NYDNFROQAJJIGH-XMMPIXPASA-N -1 3 353.375 0.372 10 0 FCAEHM CC[S@@](=O)CCNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001629132229 1290580245 /nfs/dbraw/zinc/58/02/45/1290580245.db2.gz NYDNFROQAJJIGH-XMMPIXPASA-N -1 3 353.375 0.372 10 0 FCAEHM COc1ccc([C@H](CC(=O)NCCCc2c[n-][nH]c2=O)NC(C)=O)cc1 ZINC001630631288 1290683080 /nfs/dbraw/zinc/68/30/80/1290683080.db2.gz HFKOAEIVWZCYON-ZBFHGGJFSA-N -1 3 360.414 0.891 10 0 FCAEHM CS(=O)(=O)c1cc(C(=O)NCCCc2c[n-][nH]c2=O)c(Cl)cn1 ZINC001630631255 1290683230 /nfs/dbraw/zinc/68/32/30/1290683230.db2.gz GPGMKCSPANAPGB-MRVPVSSYSA-N -1 3 358.807 0.380 10 0 FCAEHM O=S1(=O)CCN(Cc2nnc(-c3ccccc3[O-])o2)[C@H]2CCOC[C@H]21 ZINC001643365088 1290878907 /nfs/dbraw/zinc/87/89/07/1290878907.db2.gz VATWGEAZZLWYQN-GXTWGEPZSA-N -1 3 365.411 0.830 10 0 FCAEHM Cc1c([O-])ccc2c(CN3CCS(=O)(=O)C[C@H]3CCO)cc(=O)oc12 ZINC001644597100 1290965593 /nfs/dbraw/zinc/96/55/93/1290965593.db2.gz SIHUFUYPEWBUCX-CYBMUJFWSA-N -1 3 367.423 0.788 10 0 FCAEHM COC1(OC)CCOC[C@H]1NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC001646027549 1291056618 /nfs/dbraw/zinc/05/66/18/1291056618.db2.gz WDQAEZYTGQILGY-OAHLLOKOSA-N -1 3 366.414 0.715 10 0 FCAEHM C[C@@H](NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1nc(C(F)(F)F)n[n-]1 ZINC001647878262 1291080821 /nfs/dbraw/zinc/08/08/21/1291080821.db2.gz OQBHAEIIWQDOPB-RXMQYKEDSA-N -1 3 368.275 0.844 10 0 FCAEHM O=C(c1nc[n-]c(=O)c1Br)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001648403268 1291119842 /nfs/dbraw/zinc/11/98/42/1291119842.db2.gz WRIGTAHZMFDLTJ-UWVGGRQHSA-N -1 3 371.235 0.616 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)CC[C@@H]2CC[C@H](C3OCCO3)O2)[n-]1 ZINC001648716775 1291137941 /nfs/dbraw/zinc/13/79/41/1291137941.db2.gz FLYSKJJOTGHHKF-WDEREUQCSA-N -1 3 368.390 0.298 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC001650852372 1291180661 /nfs/dbraw/zinc/18/06/61/1291180661.db2.gz CZOVOBPLDQFHFZ-GTNSWQLSSA-N -1 3 361.402 0.260 10 0 FCAEHM CCn1cc(CNC(=O)CCNC(=O)c2ccc(C)cc2[O-])c(=O)[nH]c1=O ZINC001650864496 1291182379 /nfs/dbraw/zinc/18/23/79/1291182379.db2.gz SYZUSAAKHPGYGY-UHFFFAOYSA-N -1 3 374.397 0.419 10 0 FCAEHM CC1(c2ncc(C(=O)N3CCC(Cc4nnn[n-]4)CC3)s2)OCCO1 ZINC001651238747 1291209787 /nfs/dbraw/zinc/20/97/87/1291209787.db2.gz PPIZNKXZLVEGJH-UHFFFAOYSA-N -1 3 364.431 0.971 10 0 FCAEHM CC1(c2ncc(C(=O)N3CCC(Cc4nn[n-]n4)CC3)s2)OCCO1 ZINC001651238747 1291209797 /nfs/dbraw/zinc/20/97/97/1291209797.db2.gz PPIZNKXZLVEGJH-UHFFFAOYSA-N -1 3 364.431 0.971 10 0 FCAEHM CCOC(=O)N1C[C@@H](CO)[C@@H](NC(=O)CCc2c(C)nc(C)[n-]c2=O)C1 ZINC001651260482 1291213602 /nfs/dbraw/zinc/21/36/02/1291213602.db2.gz GECRIENKNNDSDR-JSGCOSHPSA-N -1 3 366.418 0.297 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CC[C@@H](NC(=O)CCCCCS(N)(=O)=O)C2)n1 ZINC001651887024 1291249013 /nfs/dbraw/zinc/24/90/13/1291249013.db2.gz RQVUKJNJFSZGID-GFCCVEGCSA-N -1 3 371.463 0.034 10 0 FCAEHM C[C@@H](NC(=O)[C@@](C)(O)Cn1ccccc1=O)c1nc(C(F)(F)F)n[n-]1 ZINC001652798773 1291300004 /nfs/dbraw/zinc/30/00/04/1291300004.db2.gz LBIPBBKOLVRCMP-OQPBUACISA-N -1 3 359.308 0.614 10 0 FCAEHM CON(C)C1CN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C1 ZINC001652824351 1291302987 /nfs/dbraw/zinc/30/29/87/1291302987.db2.gz ZLXGAMSPKASDGN-UHFFFAOYSA-N -1 3 357.407 0.584 10 0 FCAEHM COc1ccc(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1OCCO ZINC001653313941 1291336338 /nfs/dbraw/zinc/33/63/38/1291336338.db2.gz XXNOLYAJZUMKML-CYBMUJFWSA-N -1 3 374.397 0.571 10 0 FCAEHM CCOC(=O)N1C[C@@H](CO)[C@H](NC(=O)c2cc(NC(C)=O)ccc2[O-])C1 ZINC001653464072 1291346048 /nfs/dbraw/zinc/34/60/48/1291346048.db2.gz ROLHXTUUGJSRSO-SMDDNHRTSA-N -1 3 365.386 0.530 10 0 FCAEHM C[C@@H]1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@H](CNCCF)C1 ZINC001656580806 1291548717 /nfs/dbraw/zinc/54/87/17/1291548717.db2.gz NFRYTIJVROSLHW-NEPJUHHUSA-N -1 3 350.398 0.257 10 0 FCAEHM O=C(CN1CC[C@H](c2nnn[n-]2)C1)NCc1ccc(OC(F)F)cc1 ZINC001659942890 1291647266 /nfs/dbraw/zinc/64/72/66/1291647266.db2.gz CDQROOIIMQHNRP-NSHDSACASA-N -1 3 352.345 0.907 10 0 FCAEHM O=C(CN1CC[C@H](c2nn[n-]n2)C1)NCc1ccc(OC(F)F)cc1 ZINC001659942890 1291647271 /nfs/dbraw/zinc/64/72/71/1291647271.db2.gz CDQROOIIMQHNRP-NSHDSACASA-N -1 3 352.345 0.907 10 0 FCAEHM O=C(NC[C@H](O)c1cccc(F)c1)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001676589565 1292211561 /nfs/dbraw/zinc/21/15/61/1292211561.db2.gz ZZZUYQQKYSCTRG-KGLIPLIRSA-N -1 3 361.377 0.933 10 0 FCAEHM O=C(NC[C@H](O)c1cccc(F)c1)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001676589564 1292211708 /nfs/dbraw/zinc/21/17/08/1292211708.db2.gz ZZZUYQQKYSCTRG-KBPBESRZSA-N -1 3 361.377 0.933 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1CC[C@H](NC(=O)CCc2c[nH]cn2)[C@H]1C ZINC001685274831 1292480041 /nfs/dbraw/zinc/48/00/41/1292480041.db2.gz RMEJCKIUZIROMU-YPMHNXCESA-N -1 3 358.402 0.566 10 0 FCAEHM O=C(NC[C@@H](O)c1ccccc1F)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001685575324 1292562881 /nfs/dbraw/zinc/56/28/81/1292562881.db2.gz VCPYZWKKAWXDSH-SMDDNHRTSA-N -1 3 361.377 0.933 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CCC2=C(CCC(=O)N2)C1 ZINC001685650072 1292583206 /nfs/dbraw/zinc/58/32/06/1292583206.db2.gz XSSAFWOPRAKGMU-GFCCVEGCSA-N -1 3 358.402 0.340 10 0 FCAEHM CCOC(=O)[C@H](C)C1CN(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)C1 ZINC001685649298 1292583224 /nfs/dbraw/zinc/58/32/24/1292583224.db2.gz GWZRDPFUOVRIFC-YPMHNXCESA-N -1 3 363.418 0.602 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1CNC(=O)C[C@H]1CCC(=O)N1 ZINC001685712277 1292606268 /nfs/dbraw/zinc/60/62/68/1292606268.db2.gz XJOAMMZGSBSWJL-MGPQQGTHSA-N -1 3 359.426 0.885 10 0 FCAEHM Cc1n[nH]cc1C(=O)NCC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001685874606 1292670827 /nfs/dbraw/zinc/67/08/27/1292670827.db2.gz IMBRTBDWBYFGOW-ZYHUDNBSSA-N -1 3 358.402 0.742 10 0 FCAEHM CCN(CCCNC(=O)c1cccc2n[n-]nc21)C(=O)[C@]12C[C@H]1COC2 ZINC001687717250 1293004564 /nfs/dbraw/zinc/00/45/64/1293004564.db2.gz UFBKMVZGHHTMAF-SGTLLEGYSA-N -1 3 357.414 0.963 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N[C@H]1CCOC12CCOCC2 ZINC001687789835 1293012479 /nfs/dbraw/zinc/01/24/79/1293012479.db2.gz MUSZVRAPWULBGA-OLZOCXBDSA-N -1 3 363.418 0.398 10 0 FCAEHM O=S(=O)([N-][C@H]1CCCCC12OCCO2)C1CCS(=O)(=O)CC1 ZINC000715997457 836101361 /nfs/dbraw/zinc/10/13/61/836101361.db2.gz PQTAUZKYYWVHHB-LBPRGKRZSA-N -1 3 353.462 0.169 10 0 FCAEHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@H](C)Cn2cncn2)c1F ZINC000746403279 836178678 /nfs/dbraw/zinc/17/86/78/836178678.db2.gz CAUVKIBLOQSSHH-MRVPVSSYSA-N -1 3 360.342 0.710 10 0 FCAEHM CC[C@H](NC(C)=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001128384968 848741507 /nfs/dbraw/zinc/74/15/07/848741507.db2.gz XSDKDYYVHJODBI-LBPRGKRZSA-N -1 3 363.386 0.274 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)c2ccc(Br)[nH]c2=O)n[n-]1 ZINC001136931917 849248561 /nfs/dbraw/zinc/24/85/61/849248561.db2.gz BIOLPBKTHNLWBF-UHFFFAOYSA-N -1 3 356.136 0.636 10 0 FCAEHM COC(=O)Cc1n[n-]c(NC(=O)[C@]2(C(=O)OC(C)(C)C)CCCO2)n1 ZINC001136933111 849249984 /nfs/dbraw/zinc/24/99/84/849249984.db2.gz WBCJPXIRCQHNHU-HNNXBMFYSA-N -1 3 354.363 0.350 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)[C@]2(C(=O)OC(C)(C)C)CCCO2)n[n-]1 ZINC001136933111 849249987 /nfs/dbraw/zinc/24/99/87/849249987.db2.gz WBCJPXIRCQHNHU-HNNXBMFYSA-N -1 3 354.363 0.350 10 0 FCAEHM CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)C1 ZINC001144502712 849524406 /nfs/dbraw/zinc/52/44/06/849524406.db2.gz OIEVBLBSAVQBIU-BXKDBHETSA-N -1 3 350.375 0.918 10 0 FCAEHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC001144519316 849524613 /nfs/dbraw/zinc/52/46/13/849524613.db2.gz KSEVAZQDULNBJR-BQBZGAKWSA-N -1 3 350.322 0.544 10 0 FCAEHM CN(CCNC(=O)CCCn1c(=O)[n-][nH]c1=O)Cc1ccc(F)cc1 ZINC001149096359 849628135 /nfs/dbraw/zinc/62/81/35/849628135.db2.gz IRMPRGAVWPFYMN-UHFFFAOYSA-N -1 3 351.382 0.857 10 0 FCAEHM CNS(=O)(=O)c1ccc(CCNC(=O)c2cccc3n[n-]nc32)cc1 ZINC001171713000 850694494 /nfs/dbraw/zinc/69/44/94/850694494.db2.gz GRPXQSAUTZQPDG-UHFFFAOYSA-N -1 3 359.411 0.839 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@H](CO)C(F)(F)F ZINC001179891425 851003972 /nfs/dbraw/zinc/00/39/72/851003972.db2.gz XNFQAWZEWFIUMQ-LLVKDONJSA-N -1 3 356.304 0.722 10 0 FCAEHM CS(=O)(=O)C1CCC(CNC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)CC1 ZINC001184272119 851298269 /nfs/dbraw/zinc/29/82/69/851298269.db2.gz BKFLXSWCIDINTK-UHFFFAOYSA-N -1 3 364.423 0.903 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NC1CC2(C1)CO[C@H](C)C2 ZINC001184367682 851301783 /nfs/dbraw/zinc/30/17/83/851301783.db2.gz FVBTVYXATOVORC-DQSQBROSSA-N -1 3 357.432 0.644 10 0 FCAEHM COC(=O)c1nscc1S(=O)(=O)[N-]Cc1ncc2c(n1)CCOC2 ZINC001261513202 858574581 /nfs/dbraw/zinc/57/45/81/858574581.db2.gz MZAMBMOICQYJGM-UHFFFAOYSA-N -1 3 370.412 0.271 10 0 FCAEHM CO[C@H](C(=O)N[C@H]1CCCN(c2nc(C)cc(=O)[n-]2)C1)[C@@H]1CCOC1 ZINC001263911691 859236915 /nfs/dbraw/zinc/23/69/15/859236915.db2.gz PZQDFOULDDAIPB-IPYPFGDCSA-N -1 3 350.419 0.627 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NC[C@@H](CO)NC(=O)CCc1c(C)nc[n-]c1=O ZINC001281121786 863490195 /nfs/dbraw/zinc/49/01/95/863490195.db2.gz YOQVKBJEELJJHX-MBNYWOFBSA-N -1 3 350.419 0.063 10 0 FCAEHM CC[C@@H](F)C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@]23C[C@H]2COC3)n1 ZINC001282234922 864130371 /nfs/dbraw/zinc/13/03/71/864130371.db2.gz SOJJBKNSCAQUIO-ZXLZKYRFSA-N -1 3 352.366 0.199 10 0 FCAEHM COCCC(=O)N[C@H]1CCN(C(=O)CCc2c(C)nc[n-]c2=O)[C@@H]1C ZINC001282321648 864184098 /nfs/dbraw/zinc/18/40/98/864184098.db2.gz NMGDSWMRJFBLCH-OCCSQVGLSA-N -1 3 350.419 0.565 10 0 FCAEHM CC[C@H](CC(F)F)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001289109901 864922350 /nfs/dbraw/zinc/92/23/50/864922350.db2.gz BDFGBGRGLKJCKK-FBIMIBRVSA-N -1 3 358.345 0.165 10 0 FCAEHM CCCC(CCC)C(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1 ZINC001289658789 865203005 /nfs/dbraw/zinc/20/30/05/865203005.db2.gz KFUBQCMIGBQNPM-KGLIPLIRSA-N -1 3 350.419 0.700 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1nc(S(C)(=O)=O)ccc1Cl ZINC001292969265 865766055 /nfs/dbraw/zinc/76/60/55/865766055.db2.gz FREVRXSPSUAJTQ-MRVPVSSYSA-N -1 3 358.807 0.380 10 0 FCAEHM COC(=O)c1ccc(C(=O)Nc2cnn(C[C@@H](O)CN(C)OC)c2)[n-]1 ZINC001295119989 865878992 /nfs/dbraw/zinc/87/89/92/865878992.db2.gz WCFGRLCRSXVAQV-NSHDSACASA-N -1 3 351.363 0.104 10 0 FCAEHM CC(=O)c1cccc(NC(=O)CNS(=O)(=O)c2cnn(C)c2)c1[O-] ZINC001298744197 866130160 /nfs/dbraw/zinc/13/01/60/866130160.db2.gz GBSXLKDYPJCVPQ-UHFFFAOYSA-N -1 3 352.372 0.245 10 0 FCAEHM O=C(CNS(=O)(=O)c1ccccc1F)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001300194328 866214722 /nfs/dbraw/zinc/21/47/22/866214722.db2.gz IYEZBKGMVWUFEV-UHFFFAOYSA-N -1 3 372.403 0.205 10 0 FCAEHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)[C@@]1(c2ccccc2)CCC(=O)NC1 ZINC001300197916 866215379 /nfs/dbraw/zinc/21/53/79/866215379.db2.gz KGEUKIZAALMJJG-KRWDZBQOSA-N -1 3 358.423 0.935 10 0 FCAEHM C[C@@H]1C(=O)N([N-]C(=O)c2ccc(S(=O)(=O)C3CCC3)cc2)C(=O)N1C ZINC001301135358 866250575 /nfs/dbraw/zinc/25/05/75/866250575.db2.gz OPDMPOOLALGAAU-SNVBAGLBSA-N -1 3 365.411 0.940 10 0 FCAEHM Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NCCCc1c[n-][nH]c1=O ZINC001301562168 866271063 /nfs/dbraw/zinc/27/10/63/866271063.db2.gz TVKXJQKIQLLVQO-SNVBAGLBSA-N -1 3 356.404 0.080 10 0 FCAEHM CCNS(=O)(=O)c1ccc(F)c(C(=O)NCCCc2c[n-][nH]c2=O)c1 ZINC001301562308 866271394 /nfs/dbraw/zinc/27/13/94/866271394.db2.gz VFWOXDWSRLWFIS-SNVBAGLBSA-N -1 3 370.406 0.366 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]Cc1nc2c(s1)COCC2)[C@@H]1CCOC1 ZINC001350889293 866722359 /nfs/dbraw/zinc/72/23/59/866722359.db2.gz IJJPVKKYPOBBCO-PWSUYJOCSA-N -1 3 362.473 0.687 10 0 FCAEHM Clc1nnc(-c2nnc(N3CCN4CCOC[C@@H]4C3)n2CC2CC2)[n-]1 ZINC001351333592 866836316 /nfs/dbraw/zinc/83/63/16/866836316.db2.gz DQQLLBGMBQFIGY-NSHDSACASA-N -1 3 364.841 0.647 10 0 FCAEHM Clc1nc(-c2nnc(N3CCN4CCOC[C@@H]4C3)n2CC2CC2)n[n-]1 ZINC001351333592 866836327 /nfs/dbraw/zinc/83/63/27/866836327.db2.gz DQQLLBGMBQFIGY-NSHDSACASA-N -1 3 364.841 0.647 10 0 FCAEHM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)nc(C)c2)cc1 ZINC001319165983 867844881 /nfs/dbraw/zinc/84/48/81/867844881.db2.gz PJQRAFOCRBPUAA-UHFFFAOYSA-N -1 3 355.441 0.829 10 0 FCAEHM CCCN(CCNC(=O)c1cnc[n-]c1=O)C(=O)[C@H]1OCC[C@H]1CC ZINC001356487614 868012777 /nfs/dbraw/zinc/01/27/77/868012777.db2.gz XQMWLUWXVVNZSP-OCCSQVGLSA-N -1 3 350.419 0.966 10 0 FCAEHM CC[S@](=O)CCNC(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001322458345 868821887 /nfs/dbraw/zinc/82/18/87/868821887.db2.gz YLPMLZPCTBKSAI-QFIPXVFZSA-N -1 3 365.452 0.765 10 0 FCAEHM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)nc(C)c2)c1 ZINC001323947095 869421974 /nfs/dbraw/zinc/42/19/74/869421974.db2.gz DBNAWWORCYGFGH-UHFFFAOYSA-N -1 3 355.441 0.829 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)Nc1cc(C2CC2)nn1C ZINC001325231266 869823515 /nfs/dbraw/zinc/82/35/15/869823515.db2.gz IBHGFDQETBUPIP-UHFFFAOYSA-N -1 3 353.404 0.819 10 0 FCAEHM c1csc(Cn2c(-c3nnn[n-]3)nnc2N2CCN(C3CC3)CC2)c1 ZINC001344633609 870963447 /nfs/dbraw/zinc/96/34/47/870963447.db2.gz NCUMRLQDMNTRSU-UHFFFAOYSA-N -1 3 357.447 0.852 10 0 FCAEHM c1csc(Cn2c(-c3nn[n-]n3)nnc2N2CCN(C3CC3)CC2)c1 ZINC001344633609 870963450 /nfs/dbraw/zinc/96/34/50/870963450.db2.gz NCUMRLQDMNTRSU-UHFFFAOYSA-N -1 3 357.447 0.852 10 0 FCAEHM CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001328190512 871277465 /nfs/dbraw/zinc/27/74/65/871277465.db2.gz PKGYMAUDWLQPJS-MJBXVCDLSA-N -1 3 354.451 0.482 10 0 FCAEHM O=C(NCCCc1cc(=O)[nH][n-]1)c1c(Br)nc2n1CCOC2 ZINC001328644840 871558082 /nfs/dbraw/zinc/55/80/82/871558082.db2.gz CJYTZYKIBTUOKE-UHFFFAOYSA-N -1 3 370.207 0.562 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)NCCS(=O)(=O)CC(F)(F)F ZINC001328646944 871560021 /nfs/dbraw/zinc/56/00/21/871560021.db2.gz HAZZBAJDIFFGED-UHFFFAOYSA-N -1 3 355.338 0.517 10 0 FCAEHM CS(=O)(=O)c1ccc(OCCN2C[C@H]3COCC[C@]3(C(=O)[O-])C2)cc1 ZINC001328783107 871621419 /nfs/dbraw/zinc/62/14/19/871621419.db2.gz IXQJWIACSZHFKZ-GUYCJALGSA-N -1 3 369.439 0.892 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CNC(=O)[C@@]1(F)CCOC1 ZINC001346231905 871717957 /nfs/dbraw/zinc/71/79/57/871717957.db2.gz QGEYFAYLXZTDTB-GLKRBJQHSA-N -1 3 352.366 0.135 10 0 FCAEHM CCOCC(=O)NCC[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1C ZINC001346322656 871770724 /nfs/dbraw/zinc/77/07/24/871770724.db2.gz QUROOVZGVBHILF-DGCLKSJQSA-N -1 3 350.419 0.742 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@@H]1CCO[C@@H]1c1nc(C)no1)[C@H]1CCOC1 ZINC001329292573 871938604 /nfs/dbraw/zinc/93/86/04/871938604.db2.gz FRVFMKTWJPNQQW-LOWDOPEQSA-N -1 3 361.420 0.179 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(N(C)C(C)=O)nc1)[C@H]1CCOC1 ZINC001330128863 872479821 /nfs/dbraw/zinc/47/98/21/872479821.db2.gz PKHFDRZSSXCZPH-JSGCOSHPSA-N -1 3 357.432 0.858 10 0 FCAEHM Cn1cc(CCC(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)nn1 ZINC001331442934 873107684 /nfs/dbraw/zinc/10/76/84/873107684.db2.gz USACMNDGHSBJGY-UHFFFAOYSA-N -1 3 355.395 0.575 10 0 FCAEHM O=C(CC1(O)CCOCC1)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001332081892 873363355 /nfs/dbraw/zinc/36/33/55/873363355.db2.gz HFIHRSFXUJROEE-UHFFFAOYSA-N -1 3 352.353 0.835 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)c3cnc4n(c3=O)CCS4)cc2n(C)c1=O ZINC000292072392 214075842 /nfs/dbraw/zinc/07/58/42/214075842.db2.gz VUFHGNLBBKTYOU-UHFFFAOYSA-N -1 3 373.394 0.497 10 0 FCAEHM CCOC(=O)[C@H]1CCCc2sc(NC(=O)CN3CC(=O)[N-]C3=O)nc21 ZINC000294304605 214236523 /nfs/dbraw/zinc/23/65/23/214236523.db2.gz UYOKOOVWUAJTFI-QMMMGPOBSA-N -1 3 366.399 0.616 10 0 FCAEHM CC[C@H](NC(=O)C[N-]S(=O)(=O)c1c(C)noc1C)[C@H](O)C(F)F ZINC000295426462 214295688 /nfs/dbraw/zinc/29/56/88/214295688.db2.gz JFBCJXJMJPNAFL-WPRPVWTQSA-N -1 3 355.363 0.091 10 0 FCAEHM COc1cc(OC)c(C[C@@H](C)NC(=O)CN2CC(=O)[N-]C2=O)c(OC)c1 ZINC000295611194 214309183 /nfs/dbraw/zinc/30/91/83/214309183.db2.gz GSCDUCBQEWSPRO-SNVBAGLBSA-N -1 3 365.386 0.311 10 0 FCAEHM COc1ccc(S(=O)(=O)N2C[C@H](C)[C@H]2C)cc1[C@]1(C)NC(=O)[N-]C1=O ZINC000297256906 214389562 /nfs/dbraw/zinc/38/95/62/214389562.db2.gz YMNDMBKAZYJYDO-IEVXNVSRSA-N -1 3 367.427 0.779 10 0 FCAEHM CN(C[C@H](O)c1ccccc1Br)C(=O)CN1CC(=O)[N-]C1=O ZINC000297271479 214389789 /nfs/dbraw/zinc/38/97/89/214389789.db2.gz VQPSLXXFYXYKIB-NSHDSACASA-N -1 3 370.203 0.493 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCCN1CCCC1=O ZINC000298853575 214622042 /nfs/dbraw/zinc/62/20/42/214622042.db2.gz MZIDDBIMKCVQHO-LLVKDONJSA-N -1 3 359.473 0.544 10 0 FCAEHM O=C(NCCN1CCS(=O)(=O)CC1)c1cc2c(cc1[O-])CCCC2 ZINC000299271939 214687903 /nfs/dbraw/zinc/68/79/03/214687903.db2.gz XKUQBNPLGRQRNQ-UHFFFAOYSA-N -1 3 352.456 0.731 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-][C@H]2CCN(c3ccccc3)C2=O)C[C@H](C)O1 ZINC000329294078 214845309 /nfs/dbraw/zinc/84/53/09/214845309.db2.gz RVZOUBDYADZFQW-GUTXKFCHSA-N -1 3 353.444 0.736 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)N2C[C@@H]3C[C@H]2CS3)ccc1F ZINC000411710678 530026412 /nfs/dbraw/zinc/02/64/12/530026412.db2.gz OYHWSAYDBHVJIP-UWVGGRQHSA-N -1 3 373.431 0.389 10 0 FCAEHM CN(C(=O)CN1CC(=O)[N-]C1=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000265443941 210137209 /nfs/dbraw/zinc/13/72/09/210137209.db2.gz LGPAJHNTSUXLNU-UHFFFAOYSA-N -1 3 354.407 0.396 10 0 FCAEHM CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1nc(CC(=O)OC)n[n-]1 ZINC000265422089 210130991 /nfs/dbraw/zinc/13/09/91/210130991.db2.gz FZPXGEXPSXMPHL-DTWKUNHWSA-N -1 3 355.420 0.406 10 0 FCAEHM CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1nnc(CC(=O)OC)[n-]1 ZINC000265422089 210130997 /nfs/dbraw/zinc/13/09/97/210130997.db2.gz FZPXGEXPSXMPHL-DTWKUNHWSA-N -1 3 355.420 0.406 10 0 FCAEHM CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1n[n-]c(CC(=O)OC)n1 ZINC000265422089 210131002 /nfs/dbraw/zinc/13/10/02/210131002.db2.gz FZPXGEXPSXMPHL-DTWKUNHWSA-N -1 3 355.420 0.406 10 0 FCAEHM Cc1[nH]ncc1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000265390351 210116115 /nfs/dbraw/zinc/11/61/15/210116115.db2.gz CKTWVUWTVGZOTK-UHFFFAOYSA-N -1 3 366.399 0.697 10 0 FCAEHM Cc1cc(CS(=O)(=O)[N-]CCS(=O)(=O)NCC2CCC2)no1 ZINC000265340038 210100364 /nfs/dbraw/zinc/10/03/64/210100364.db2.gz ONSUDHDHVCIEHA-UHFFFAOYSA-N -1 3 351.450 0.122 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NCCc1cc(Br)ccc1F ZINC000264902839 210010409 /nfs/dbraw/zinc/01/04/09/210010409.db2.gz XLPKQGXNFAIHHG-UHFFFAOYSA-N -1 3 358.167 0.799 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000264875338 210005294 /nfs/dbraw/zinc/00/52/94/210005294.db2.gz RXJIQCWFERCXMJ-UHFFFAOYSA-N -1 3 369.381 0.004 10 0 FCAEHM COc1ccc(Br)cc1CNC(=O)CN1CC(=O)[N-]C1=O ZINC000264858566 210002303 /nfs/dbraw/zinc/00/23/03/210002303.db2.gz OUGVMRDOCYOVKI-UHFFFAOYSA-N -1 3 356.176 0.626 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NC[C@H](NCc1ccccc1)c1ccco1 ZINC000286522600 213504399 /nfs/dbraw/zinc/50/43/99/213504399.db2.gz SIPMXAOZXMKZPZ-KBPBESRZSA-N -1 3 356.382 0.825 10 0 FCAEHM NC(=O)[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)O1 ZINC000286477938 213498033 /nfs/dbraw/zinc/49/80/33/213498033.db2.gz AACZPPWHKWTGOZ-SFYZADRCSA-N -1 3 353.322 0.412 10 0 FCAEHM CN1CCN(C)[C@H](CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000333022660 215224327 /nfs/dbraw/zinc/22/43/27/215224327.db2.gz FNJBVTWKXMOLGE-GDBMZVCRSA-N -1 3 360.458 0.359 10 0 FCAEHM O=C(C1CCCC1)N1CCC[C@@H]1C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000333252361 215255968 /nfs/dbraw/zinc/25/59/68/215255968.db2.gz DNNUBWFRRXTSPQ-ACJLOTCBSA-N -1 3 362.430 0.368 10 0 FCAEHM O=C(CN1c2ccccc2CCCC1=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000333333511 215265479 /nfs/dbraw/zinc/26/54/79/215265479.db2.gz RHLGWKBHHJMQKG-IBGZPJMESA-N -1 3 370.409 0.557 10 0 FCAEHM COc1cccc([C@@H]2[C@@H](NC(=O)C[C@@H]3NC(=O)[N-]C3=O)CCN2C2CC2)c1 ZINC000360754659 215369327 /nfs/dbraw/zinc/36/93/27/215369327.db2.gz JZPACECSMZCTIL-YQQAZPJKSA-N -1 3 372.425 0.687 10 0 FCAEHM COc1cccc([C@@H]2[C@H](NC(=O)C[C@@H]3NC(=O)[N-]C3=O)CCN2C2CC2)c1 ZINC000360754657 215369903 /nfs/dbraw/zinc/36/99/03/215369903.db2.gz JZPACECSMZCTIL-HLLBOEOZSA-N -1 3 372.425 0.687 10 0 FCAEHM CCOC(=O)c1cn[n-]c1S(=O)(=O)N1CCOC[C@H]1CC(F)F ZINC000285511416 213352476 /nfs/dbraw/zinc/35/24/76/213352476.db2.gz YJAGISSBIVWNFJ-MRVPVSSYSA-N -1 3 353.347 0.631 10 0 FCAEHM CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CCOC[C@H]1CC(F)F ZINC000285511416 213352478 /nfs/dbraw/zinc/35/24/78/213352478.db2.gz YJAGISSBIVWNFJ-MRVPVSSYSA-N -1 3 353.347 0.631 10 0 FCAEHM CCCCn1c(=O)[n-]nc1S(=O)(=O)Cc1ccc(C(=O)OC)cn1 ZINC000285171236 213296474 /nfs/dbraw/zinc/29/64/74/213296474.db2.gz TXHWIANDQVCCMB-UHFFFAOYSA-N -1 3 354.388 0.939 10 0 FCAEHM Cc1cc(CNC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)n(C)n1 ZINC000284698188 213200801 /nfs/dbraw/zinc/20/08/01/213200801.db2.gz OFTVHLKVGYLYCR-NSHDSACASA-N -1 3 354.407 0.851 10 0 FCAEHM CO[C@H](C)CS(=O)(=O)[N-][C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccnn1C ZINC000284423097 213137057 /nfs/dbraw/zinc/13/70/57/213137057.db2.gz DBDVWCMQCFNFTH-IXPVHAAZSA-N -1 3 356.448 0.179 10 0 FCAEHM C[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000282396636 212835937 /nfs/dbraw/zinc/83/59/37/212835937.db2.gz WZWQJPZZVMHGBC-SWLSCSKDSA-N -1 3 360.414 0.527 10 0 FCAEHM COC[C@@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2c(C)noc2C)CC1 ZINC000412414186 237203673 /nfs/dbraw/zinc/20/36/73/237203673.db2.gz UWOCFNPZIODTJV-CYBMUJFWSA-N -1 3 359.448 0.845 10 0 FCAEHM COC[C@@H]([N-]S(=O)(=O)C1CN(C(=O)c2ccccc2)C1)[C@H]1CCCO1 ZINC000366768807 216029123 /nfs/dbraw/zinc/02/91/23/216029123.db2.gz HHEHNTGBGHTLQT-HZPDHXFCSA-N -1 3 368.455 0.624 10 0 FCAEHM C[C@@H]1[C@H]([N-]S(=O)(=O)CCS(C)(=O)=O)CC(=O)N1Cc1ccccc1 ZINC000367006109 216063357 /nfs/dbraw/zinc/06/33/57/216063357.db2.gz YNXAXEXCJZDEKN-TZMCWYRMSA-N -1 3 374.484 0.140 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CC[C@](F)(c3ccccc3)C2)c1 ZINC000367306574 216105459 /nfs/dbraw/zinc/10/54/59/216105459.db2.gz YPBHUJJVCJPDOQ-MRXNPFEDSA-N -1 3 366.418 0.796 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CC2(C1)CCCOC2 ZINC000367939246 216181616 /nfs/dbraw/zinc/18/16/16/216181616.db2.gz RRPSVTCKRNHKFV-UHFFFAOYSA-N -1 3 358.192 0.350 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N1CCN2CCCC[C@H]2C1 ZINC000195088018 209332268 /nfs/dbraw/zinc/33/22/68/209332268.db2.gz SXGDCXPZCYTGGD-AWEZNQCLSA-N -1 3 356.426 0.777 10 0 FCAEHM Cc1cn(-c2ccccc2)nc1C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000195006077 209331005 /nfs/dbraw/zinc/33/10/05/209331005.db2.gz LBGAOOXFUYUBRH-GOSISDBHSA-N -1 3 353.382 0.995 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000195084921 209331090 /nfs/dbraw/zinc/33/10/90/209331090.db2.gz GIUPZCOCSOJQFV-JSGCOSHPSA-N -1 3 370.475 0.655 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCN(C(=O)C2(N3CCOCC3)CCC2)CC1 ZINC000368583898 216268091 /nfs/dbraw/zinc/26/80/91/216268091.db2.gz PXQRAMFHJVOLIM-UHFFFAOYSA-N -1 3 373.453 0.932 10 0 FCAEHM Cn1ccc([C@H](NC(=O)CN2CC(=O)[N-]C2=O)c2ccc(Cl)cc2)n1 ZINC000368854686 216308267 /nfs/dbraw/zinc/30/82/67/216308267.db2.gz OYRSTOPCEZVMKZ-OAHLLOKOSA-N -1 3 361.789 0.831 10 0 FCAEHM O=C(CC1CCCCC1)NCC(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000369291939 216380333 /nfs/dbraw/zinc/38/03/33/216380333.db2.gz BHOOFPUTTXWSFK-QGZVFWFLSA-N -1 3 350.419 0.274 10 0 FCAEHM CN1CCC[C@@H](N2CCN(C(=O)c3nc4ccccc4c(=O)[n-]3)CC2)C1 ZINC000369339521 216386232 /nfs/dbraw/zinc/38/62/32/216386232.db2.gz YGWQSNZQTOKINP-CQSZACIVSA-N -1 3 355.442 0.775 10 0 FCAEHM C[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000277670592 212386528 /nfs/dbraw/zinc/38/65/28/212386528.db2.gz GCZYYOBKUZKKAO-NWDGAFQWSA-N -1 3 362.473 0.640 10 0 FCAEHM C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)CN1CC(=O)[N-]C1=O ZINC000277552411 212373088 /nfs/dbraw/zinc/37/30/88/212373088.db2.gz MRMFXROBFSPAMR-MNOVXSKESA-N -1 3 354.407 0.300 10 0 FCAEHM C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1cn(C)c(=O)[n-]c1=O ZINC000277403965 212356807 /nfs/dbraw/zinc/35/68/07/212356807.db2.gz FAXAXXHQUJBNCL-PWSUYJOCSA-N -1 3 366.418 0.861 10 0 FCAEHM CC(C)NS(=O)(=O)NCCNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000277412666 212358595 /nfs/dbraw/zinc/35/85/95/212358595.db2.gz CWBLUTPQUJXAEK-UHFFFAOYSA-N -1 3 352.416 0.503 10 0 FCAEHM C[C@@H]1CN(C(=O)CC[C@H]2NC(=O)[N-]C2=O)C[C@H]1NC(=O)OC(C)(C)C ZINC000277317361 212349159 /nfs/dbraw/zinc/34/91/59/212349159.db2.gz AIGRGXLZIOEQKP-GMTAPVOTSA-N -1 3 354.407 0.346 10 0 FCAEHM COC(=O)[C@H](O)C(C)(C)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000277034471 212321480 /nfs/dbraw/zinc/32/14/80/212321480.db2.gz LLOQEGJQLKGVIQ-QMMMGPOBSA-N -1 3 357.215 0.979 10 0 FCAEHM COC(=O)c1csc(S(=O)(=O)[N-]C(C)(C)[C@H](O)C(=O)OC)c1 ZINC000277030467 212320088 /nfs/dbraw/zinc/32/00/88/212320088.db2.gz KVVCOXKLERVIMY-SECBINFHSA-N -1 3 351.402 0.126 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)[C@H](O)C(=O)OC)s1 ZINC000276999041 212316521 /nfs/dbraw/zinc/31/65/21/212316521.db2.gz GHKNLKFHOGRYDI-SECBINFHSA-N -1 3 351.402 0.126 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCc1csc(=O)[nH]1 ZINC000276587760 212260109 /nfs/dbraw/zinc/26/01/09/212260109.db2.gz PREUUPOMBMHJOM-VIFPVBQESA-N -1 3 373.431 0.601 10 0 FCAEHM CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc(CCNC(=O)OC)s1 ZINC000276451274 212235753 /nfs/dbraw/zinc/23/57/53/212235753.db2.gz GXAJLGKPJRSBBF-VIFPVBQESA-N -1 3 363.461 0.450 10 0 FCAEHM COC(=O)NCCc1ccc(S(=O)(=O)[N-]C(C)(C)C(=O)OC)s1 ZINC000276441018 212234660 /nfs/dbraw/zinc/23/46/60/212234660.db2.gz FHSBDFHWCXDESU-UHFFFAOYSA-N -1 3 364.445 0.877 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(c3ccnn3C)CC2)cn1 ZINC000185800358 209181574 /nfs/dbraw/zinc/18/15/74/209181574.db2.gz TZAAFFXHGHWZRX-UHFFFAOYSA-N -1 3 363.443 0.743 10 0 FCAEHM CC[C@@H]([N-]S(=O)(=O)c1ccc(CCNC(=O)OC)s1)C(=O)OC ZINC000276263240 212200283 /nfs/dbraw/zinc/20/02/83/212200283.db2.gz SZAJGWDYGCKSJP-SNVBAGLBSA-N -1 3 364.445 0.877 10 0 FCAEHM COc1ccccc1N1CC[C@H]([N-]S(=O)(=O)[C@H]2CCO[C@@H]2C)C1=O ZINC000276058726 212149519 /nfs/dbraw/zinc/14/95/19/212149519.db2.gz PRAVGAJMMOHNQZ-XUJVJEKNSA-N -1 3 354.428 0.897 10 0 FCAEHM COC(=O)[C@H](C)CS(=O)(=O)[N-][C@H]1CCCN(c2ccccc2)C1=O ZINC000371948147 216807882 /nfs/dbraw/zinc/80/78/82/216807882.db2.gz NYDMWPKXYUYEAM-OCCSQVGLSA-N -1 3 354.428 0.911 10 0 FCAEHM C[C@H]1OCC[C@H]1S(=O)(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000275974645 212132255 /nfs/dbraw/zinc/13/22/55/212132255.db2.gz DBGUIPQWKGWKIO-NXEZZACHSA-N -1 3 354.475 0.123 10 0 FCAEHM CC(C)Oc1ccc(F)cc1NC(=O)C(=O)[N-]N1CC(=O)N(C)C1=O ZINC000275971391 212132077 /nfs/dbraw/zinc/13/20/77/212132077.db2.gz DCLMSKXHVPHCET-UHFFFAOYSA-N -1 3 352.322 0.477 10 0 FCAEHM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]Cc1ccnn1C ZINC000275649718 212067088 /nfs/dbraw/zinc/06/70/88/212067088.db2.gz XNKWFSLWSOLJIC-UHFFFAOYSA-N -1 3 358.445 0.149 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)NCc2ccc(C(F)F)cc2)c1 ZINC000185181406 209171727 /nfs/dbraw/zinc/17/17/27/209171727.db2.gz OHCOVNIAMRSHGS-UHFFFAOYSA-N -1 3 358.370 0.952 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000185186147 209174129 /nfs/dbraw/zinc/17/41/29/209174129.db2.gz PTNMCFOWHSPRIF-ONGXEEELSA-N -1 3 370.331 0.998 10 0 FCAEHM CN(C(=O)CN1CC(=O)[N-]C1=O)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000275289628 212001278 /nfs/dbraw/zinc/00/12/78/212001278.db2.gz WXFNFEPNKFJCJN-FZMZJTMJSA-N -1 3 372.208 0.962 10 0 FCAEHM Cc1nc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@H]2O)[n-]c1-c1ccccc1 ZINC000275320261 212006962 /nfs/dbraw/zinc/00/69/62/212006962.db2.gz XNHKZYRJMOTEGO-NEPJUHHUSA-N -1 3 356.425 0.317 10 0 FCAEHM Cc1[n-]c(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@H]2O)nc1-c1ccccc1 ZINC000275320261 212006966 /nfs/dbraw/zinc/00/69/66/212006966.db2.gz XNHKZYRJMOTEGO-NEPJUHHUSA-N -1 3 356.425 0.317 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCN2CCC1CC2 ZINC000373724339 217050720 /nfs/dbraw/zinc/05/07/20/217050720.db2.gz BWZBIIAINPNDHT-UHFFFAOYSA-N -1 3 353.426 0.989 10 0 FCAEHM Cc1ccc(S(=O)(=O)CCCN2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000373842644 217065982 /nfs/dbraw/zinc/06/59/82/217065982.db2.gz BVPGZDOONGOIGO-QGZVFWFLSA-N -1 3 365.455 0.833 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)s1 ZINC000374141195 217100392 /nfs/dbraw/zinc/10/03/92/217100392.db2.gz FCHDOASALVXIKT-XWIASGKRSA-N -1 3 371.484 0.672 10 0 FCAEHM C[C@@H]1[C@H](NC(=O)c2cn(C)c(=O)[n-]c2=O)CC(=O)N1Cc1ccccc1 ZINC000374263035 217113631 /nfs/dbraw/zinc/11/36/31/217113631.db2.gz NLRDVVUYDNTTAH-BXUZGUMPSA-N -1 3 356.382 0.405 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000374727545 217163107 /nfs/dbraw/zinc/16/31/07/217163107.db2.gz BRRDCIAQUAQSIT-LBPRGKRZSA-N -1 3 372.360 0.067 10 0 FCAEHM Cn1ncc2c1ncc(C(=O)N[C@H]1CCCN(c3ncccn3)C1)c2[O-] ZINC000181802340 209121741 /nfs/dbraw/zinc/12/17/41/209121741.db2.gz CUJRLXOONTTWKO-NSHDSACASA-N -1 3 353.386 0.863 10 0 FCAEHM O=C(NC[C@H](CO)[C@@H]1CCOC1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000375930363 217336271 /nfs/dbraw/zinc/33/62/71/217336271.db2.gz YSKQECUUGUFAOR-IIAWOOMASA-N -1 3 362.426 0.758 10 0 FCAEHM CCOC(=O)c1ccc(N2C(=O)C[C@@H](SC[C@H](N)C(=O)[O-])C2=O)cc1 ZINC000016900502 220195672 /nfs/dbraw/zinc/19/56/72/220195672.db2.gz LNGUHBHQYDUDEL-NWDGAFQWSA-N -1 3 366.395 0.640 10 0 FCAEHM O=S(=O)([N-][C@H]1CCN(S(=O)(=O)c2ccccc2)C1)c1c[nH]cn1 ZINC000376392636 217394805 /nfs/dbraw/zinc/39/48/05/217394805.db2.gz VYRDTKBNOGXEKT-NSHDSACASA-N -1 3 356.429 0.151 10 0 FCAEHM C[C@]1(c2cccc(NC(=O)C3(N4CCOCC4)CCC3)c2)NC(=O)[N-]C1=O ZINC000378369849 217685090 /nfs/dbraw/zinc/68/50/90/217685090.db2.gz LVEWEDBLRWVHTF-GOSISDBHSA-N -1 3 372.425 0.935 10 0 FCAEHM CC(C)C[C@H](CNC(=O)C(=O)NC[C@]1(N(C)C)CCSC1)C(=O)[O-] ZINC000424517043 247247226 /nfs/dbraw/zinc/24/72/26/247247226.db2.gz KNLPVQBGOCWXIM-MLGOLLRUSA-N -1 3 359.492 0.403 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@@H]2C[C@]2(F)c2ccccc2)cn1C ZINC000425009971 247284751 /nfs/dbraw/zinc/28/47/51/247284751.db2.gz QECZMVQEPLGSAE-CJNGLKHVSA-N -1 3 366.418 0.760 10 0 FCAEHM CN(C)c1nc(C(=O)N2CSC[C@H]2C(=O)N2CCCC2)cc(=O)[n-]1 ZINC000408242683 217756425 /nfs/dbraw/zinc/75/64/25/217756425.db2.gz XDBVNRXXIIKIMA-NSHDSACASA-N -1 3 351.432 0.386 10 0 FCAEHM C[C@@]1(c2ccc(CNc3cncc(OCCO)n3)cc2)NC(=O)[N-]C1=O ZINC000436299725 248037709 /nfs/dbraw/zinc/03/77/09/248037709.db2.gz HAMZFTDBRDNFLY-KRWDZBQOSA-N -1 3 357.370 0.514 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)NCC1(CCO)CCC1 ZINC000438146647 248077748 /nfs/dbraw/zinc/07/77/48/248077748.db2.gz BPJSPWKGQPIWBX-UHFFFAOYSA-N -1 3 361.489 0.878 10 0 FCAEHM Cn1cc(NC(=O)NCC[N-]S(=O)(=O)c2cccs2)ccc1=O ZINC000437390550 248064911 /nfs/dbraw/zinc/06/49/11/248064911.db2.gz FJHNKYSZHJJZMS-UHFFFAOYSA-N -1 3 356.429 0.547 10 0 FCAEHM C[C@H]1[C@@H](NC(=O)C(=O)[N-]c2cnns2)CC(=O)N1Cc1ccccc1 ZINC000440101691 248157338 /nfs/dbraw/zinc/15/73/38/248157338.db2.gz KAQZFUGMQOWHKU-JQWIXIFHSA-N -1 3 359.411 0.782 10 0 FCAEHM C[C@H]1[C@H](NC(=O)C(=O)[N-]c2cnns2)CC(=O)N1Cc1ccccc1 ZINC000440101687 248157446 /nfs/dbraw/zinc/15/74/46/248157446.db2.gz KAQZFUGMQOWHKU-CMPLNLGQSA-N -1 3 359.411 0.782 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)NC[C@](C)(O)CCC(C)C)cn1C ZINC000440168408 248161059 /nfs/dbraw/zinc/16/10/59/248161059.db2.gz JQVGBMDZHDACLR-OAHLLOKOSA-N -1 3 360.480 0.310 10 0 FCAEHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]CCc1nnc2n1CCC2 ZINC000439203380 248113833 /nfs/dbraw/zinc/11/38/33/248113833.db2.gz XVQYBQQCJQHWRY-UHFFFAOYSA-N -1 3 370.456 0.902 10 0 FCAEHM Cn1nccc1CCC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000441409666 248251521 /nfs/dbraw/zinc/25/15/21/248251521.db2.gz ONJKCBKREAWDNN-UHFFFAOYSA-N -1 3 372.397 0.726 10 0 FCAEHM CN1CCC(O)(C[N-]S(=O)(=O)c2cnccc2C(F)(F)F)CC1 ZINC000442741907 248294870 /nfs/dbraw/zinc/29/48/70/248294870.db2.gz HZPVZBSWFBUKGA-UHFFFAOYSA-N -1 3 353.366 0.835 10 0 FCAEHM COC(=O)[C@H](C[N-]S(=O)(=O)[C@H]1CCO[C@H]1C)Oc1ccc(F)cc1 ZINC000442754261 248295545 /nfs/dbraw/zinc/29/55/45/248295545.db2.gz HXNOUCZQVMSGHU-BPNCWPANSA-N -1 3 361.391 0.843 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)Cc1cnccn1 ZINC000442952421 248301230 /nfs/dbraw/zinc/30/12/30/248301230.db2.gz FXSNGRMMOURZNX-UHFFFAOYSA-N -1 3 356.429 0.205 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]Cc2ccc(OCCO)c(OC)c2)c1 ZINC000443032146 248304228 /nfs/dbraw/zinc/30/42/28/248304228.db2.gz ZPAYFVRADXTUGB-UHFFFAOYSA-N -1 3 355.416 0.761 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]C[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000443151775 248308668 /nfs/dbraw/zinc/30/86/68/248308668.db2.gz IFEADYCMDXHBHB-MRXNPFEDSA-N -1 3 364.471 0.601 10 0 FCAEHM COC(=O)c1nscc1S(=O)(=O)[N-][C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000443314255 248321084 /nfs/dbraw/zinc/32/10/84/248321084.db2.gz QOUAFYUAWKZOBR-YIZRAAEISA-N -1 3 359.429 0.217 10 0 FCAEHM COC(=O)c1ccccc1CCC(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000447746864 248426262 /nfs/dbraw/zinc/42/62/62/248426262.db2.gz ROANWXIPPYARDX-SFHVURJKSA-N -1 3 359.382 0.606 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)N1CC[C@@](O)(C(F)F)C1 ZINC000452670997 249326800 /nfs/dbraw/zinc/32/68/00/249326800.db2.gz PMHZFJKOMSMNPX-KRWDZBQOSA-N -1 3 365.336 0.486 10 0 FCAEHM COC[C@](C)(O)CCNC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000455208313 249463867 /nfs/dbraw/zinc/46/38/67/249463867.db2.gz QAMHWFCFUCLICT-GOSISDBHSA-N -1 3 365.430 0.647 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)[C@H]2CCOC2)cc1F ZINC000271229722 211359845 /nfs/dbraw/zinc/35/98/45/211359845.db2.gz TVRPWNQHIURZCK-JTQLQIEISA-N -1 3 366.436 0.997 10 0 FCAEHM COc1nnc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)s2)[n-]1 ZINC000271296362 211374742 /nfs/dbraw/zinc/37/47/42/211374742.db2.gz RKJFMZJJWVTLJV-VIFPVBQESA-N -1 3 371.444 0.975 10 0 FCAEHM COc1nc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)s2)n[n-]1 ZINC000271296362 211374745 /nfs/dbraw/zinc/37/47/45/211374745.db2.gz RKJFMZJJWVTLJV-VIFPVBQESA-N -1 3 371.444 0.975 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)s2)n1 ZINC000271296362 211374749 /nfs/dbraw/zinc/37/47/49/211374749.db2.gz RKJFMZJJWVTLJV-VIFPVBQESA-N -1 3 371.444 0.975 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000271215724 211358130 /nfs/dbraw/zinc/35/81/30/211358130.db2.gz ZDNHZYJPEOCNDD-RYUDHWBXSA-N -1 3 369.324 0.786 10 0 FCAEHM CN1C(=O)C[C@H](C(=O)Nc2nnc(SCCO)[n-]2)[C@H]1c1cccnc1 ZINC000270882364 211289536 /nfs/dbraw/zinc/28/95/36/211289536.db2.gz OXJMIIJUOQWKMP-CMPLNLGQSA-N -1 3 362.415 0.442 10 0 FCAEHM CN1C(=O)C[C@H](C(=O)Nc2nc(SCCO)n[n-]2)[C@H]1c1cccnc1 ZINC000270882364 211289540 /nfs/dbraw/zinc/28/95/40/211289540.db2.gz OXJMIIJUOQWKMP-CMPLNLGQSA-N -1 3 362.415 0.442 10 0 FCAEHM CN1C(=O)C[C@H](C(=O)Nc2n[n-]c(SCCO)n2)[C@H]1c1cccnc1 ZINC000270882364 211289544 /nfs/dbraw/zinc/28/95/44/211289544.db2.gz OXJMIIJUOQWKMP-CMPLNLGQSA-N -1 3 362.415 0.442 10 0 FCAEHM CC[C@@H]1Oc2cc([C@@H](C)NC(=O)C[C@@H]3NC(=O)[N-]C3=O)ccc2NC1=O ZINC000270813859 211273959 /nfs/dbraw/zinc/27/39/59/211273959.db2.gz OYHDDAGFQZHVMI-ZHAHWJHGSA-N -1 3 360.370 0.571 10 0 FCAEHM Cc1ccc([C@H](CNC(=O)C[C@@H]2NC(=O)[N-]C2=O)N2CCOCC2)cc1 ZINC000270714162 211253247 /nfs/dbraw/zinc/25/32/47/211253247.db2.gz LRBUGGYKUSQIJP-GJZGRUSLSA-N -1 3 360.414 0.083 10 0 FCAEHM CCOC(=O)C[C@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1ccc(F)cc1 ZINC000270693848 211249541 /nfs/dbraw/zinc/24/95/41/211249541.db2.gz XDEVBYWQOLYDNO-RYUDHWBXSA-N -1 3 351.334 0.534 10 0 FCAEHM CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)C[C@@H]2NC(=O)[N-]C2=O)C1 ZINC000270681291 211246517 /nfs/dbraw/zinc/24/65/17/211246517.db2.gz HUANUEIRMRJEJS-MNOVXSKESA-N -1 3 354.407 0.348 10 0 FCAEHM C[C@@H]1CN(Cc2ccc(CNC(=O)C[C@@H]3NC(=O)[N-]C3=O)cc2)C[C@@H](C)O1 ZINC000270619958 211236011 /nfs/dbraw/zinc/23/60/11/211236011.db2.gz RKEXZVHYMFFKHH-IOASZLSFSA-N -1 3 374.441 0.510 10 0 FCAEHM CCS(=O)(=O)c1cccc(C(=O)Nc2nc(CC(=O)OC)n[n-]2)c1 ZINC000270588524 211228074 /nfs/dbraw/zinc/22/80/74/211228074.db2.gz BDRGTYSGGPSEMY-UHFFFAOYSA-N -1 3 352.372 0.566 10 0 FCAEHM CCS(=O)(=O)c1cccc(C(=O)Nc2nnc(CC(=O)OC)[n-]2)c1 ZINC000270588524 211228077 /nfs/dbraw/zinc/22/80/77/211228077.db2.gz BDRGTYSGGPSEMY-UHFFFAOYSA-N -1 3 352.372 0.566 10 0 FCAEHM CCS(=O)(=O)c1cccc(C(=O)Nc2n[n-]c(CC(=O)OC)n2)c1 ZINC000270588524 211228080 /nfs/dbraw/zinc/22/80/80/211228080.db2.gz BDRGTYSGGPSEMY-UHFFFAOYSA-N -1 3 352.372 0.566 10 0 FCAEHM CCN1CCN(CC(=O)Nc2cc(C)ccc2[N-]S(C)(=O)=O)CC1 ZINC000469721624 250002282 /nfs/dbraw/zinc/00/22/82/250002282.db2.gz VSXMYUYIKHOPOR-UHFFFAOYSA-N -1 3 354.476 0.943 10 0 FCAEHM COc1cccc([C@H](CNC(=O)C[C@@H]2NC(=O)[N-]C2=O)N2CCCC2)c1 ZINC000270178506 211161959 /nfs/dbraw/zinc/16/19/59/211161959.db2.gz BRWJSGYNQBBPPS-GJZGRUSLSA-N -1 3 360.414 0.546 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCC(=O)N3)cn1 ZINC000472553953 250161209 /nfs/dbraw/zinc/16/12/09/250161209.db2.gz IMISIBZZHMKDNB-UHFFFAOYSA-N -1 3 362.367 0.573 10 0 FCAEHM CN1CCc2ccc(NC(=O)C(=O)NCc3ncccc3[O-])cc2C1=O ZINC000473030800 250195652 /nfs/dbraw/zinc/19/56/52/250195652.db2.gz GNYLJUSAFRTTCP-UHFFFAOYSA-N -1 3 354.366 0.670 10 0 FCAEHM CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)NCc2ncccc2[O-])cc1 ZINC000473055910 250196642 /nfs/dbraw/zinc/19/66/42/250196642.db2.gz HIQBRQUZHZKVHE-UHFFFAOYSA-N -1 3 371.397 0.542 10 0 FCAEHM C[S@](=O)c1ccc(NC(=O)C(=O)NCc2ncccc2[O-])cc1F ZINC000473055206 250197447 /nfs/dbraw/zinc/19/74/47/250197447.db2.gz GBVUDFCFFCSRED-DEOSSOPVSA-N -1 3 351.359 0.919 10 0 FCAEHM COC(=O)[C@@H]1C[C@@H]1C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000269817811 211088666 /nfs/dbraw/zinc/08/86/66/211088666.db2.gz RAECQAHSVCHOLB-JGVFFNPUSA-N -1 3 366.848 0.605 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)NCCc2cc(F)ccc2F)cn1C ZINC000473498278 250234489 /nfs/dbraw/zinc/23/44/89/250234489.db2.gz NCZXNEKRXPHNQI-UHFFFAOYSA-N -1 3 372.397 0.644 10 0 FCAEHM COCCOCC(=O)NC1CCC(C(=O)NCc2ncccc2[O-])CC1 ZINC000473634386 250242509 /nfs/dbraw/zinc/24/25/09/250242509.db2.gz SXQMLLARKZRMLF-UHFFFAOYSA-N -1 3 365.430 0.741 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CC[C@@H](C(F)(F)F)[C@@H]2C)cn1C ZINC000473386277 250225568 /nfs/dbraw/zinc/22/55/68/250225568.db2.gz HDRPFYHMJNAJRY-WCBMZHEXSA-N -1 3 368.381 0.806 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]CCS(=O)(=O)NCc2ccccc2)c1 ZINC000474027765 250266290 /nfs/dbraw/zinc/26/62/90/250266290.db2.gz ABFICVCTTOKFMV-UHFFFAOYSA-N -1 3 372.472 0.301 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]Cc2ccc(NS(C)(=O)=O)cc2)c1 ZINC000474065755 250267354 /nfs/dbraw/zinc/26/73/54/250267354.db2.gz KTWFKYYQTKCVAT-UHFFFAOYSA-N -1 3 358.445 0.753 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-][C@H](C)c2cccc(S(=O)(=O)NC)c2)c1 ZINC000474090119 250270466 /nfs/dbraw/zinc/27/04/66/250270466.db2.gz QNXOYUDMQZGYLR-LLVKDONJSA-N -1 3 372.472 0.851 10 0 FCAEHM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NCc1ncccc1[O-] ZINC000480737538 250280480 /nfs/dbraw/zinc/28/04/80/250280480.db2.gz IXABAKVACXHGOB-UHFFFAOYSA-N -1 3 356.425 0.978 10 0 FCAEHM C[C@]1(c2ccc(C(=O)NC3CCC(C(N)=O)CC3)cc2)NC(=O)[N-]C1=O ZINC000480877403 250289956 /nfs/dbraw/zinc/28/99/56/250289956.db2.gz VOQCYCKUSIWGIX-TWPJBNHHSA-N -1 3 358.398 0.515 10 0 FCAEHM C[C@@H](CO)[C@H](C)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000269732097 211057870 /nfs/dbraw/zinc/05/78/70/211057870.db2.gz CRGXWXBVDUYPPP-IUCAKERBSA-N -1 3 354.425 0.492 10 0 FCAEHM COC[C@@](C)(CCO)NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000482571694 250393414 /nfs/dbraw/zinc/39/34/14/250393414.db2.gz BLUVHJCULWNDRL-LJQANCHMSA-N -1 3 374.441 0.977 10 0 FCAEHM C[C@H](CO)[C@H](C)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000269732093 211058066 /nfs/dbraw/zinc/05/80/66/211058066.db2.gz CRGXWXBVDUYPPP-BDAKNGLRSA-N -1 3 354.425 0.492 10 0 FCAEHM C[C@@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1)[C@H](C)CO ZINC000269732098 211056765 /nfs/dbraw/zinc/05/67/65/211056765.db2.gz CRGXWXBVDUYPPP-RKDXNWHRSA-N -1 3 354.425 0.492 10 0 FCAEHM CC[C@H](CO)N1CCN(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)CC1 ZINC000269536412 211004405 /nfs/dbraw/zinc/00/44/05/211004405.db2.gz UBIDKUZRKMSPHH-CYBMUJFWSA-N -1 3 373.450 0.726 10 0 FCAEHM CS[C@H](CO)[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000269175132 210924053 /nfs/dbraw/zinc/92/40/53/210924053.db2.gz SJPKAKYASPVNIQ-JBLDHEPKSA-N -1 3 364.464 0.721 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-][C@H](Cc2ccccc2)C(=O)N(C)C)cn1C ZINC000067404753 208022112 /nfs/dbraw/zinc/02/21/12/208022112.db2.gz AVFGTVUUDCAMGJ-CQSZACIVSA-N -1 3 350.444 0.706 10 0 FCAEHM C[C@H](CN1CCN(C)CC1)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000106921887 208236557 /nfs/dbraw/zinc/23/65/57/208236557.db2.gz BDKBOLLJXMYXOT-NVXWUHKLSA-N -1 3 374.485 0.749 10 0 FCAEHM Cc1cnn(CC[N-]S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)c1 ZINC000120950376 208393581 /nfs/dbraw/zinc/39/35/81/208393581.db2.gz FMEZYEABXQHQQW-UHFFFAOYSA-N -1 3 361.420 0.713 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CC[C@H](N3CC=CC3)C2)s1 ZINC000266643201 210373756 /nfs/dbraw/zinc/37/37/56/210373756.db2.gz FCQVCVDPRODVFU-LBPRGKRZSA-N -1 3 370.500 0.812 10 0 FCAEHM COCc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000129442040 208510569 /nfs/dbraw/zinc/51/05/69/208510569.db2.gz BDCRBCZNNQBWDL-MRVPVSSYSA-N -1 3 360.827 0.625 10 0 FCAEHM CN(C[C@@H]1CCCN1C(=O)CN1CC(=O)[N-]C1=O)C(=O)OC(C)(C)C ZINC000266286395 210315939 /nfs/dbraw/zinc/31/59/39/210315939.db2.gz CVVYPRPANFZULH-NSHDSACASA-N -1 3 354.407 0.396 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCc3ncnn3C2)ccc1F ZINC000177476600 209026162 /nfs/dbraw/zinc/02/61/62/209026162.db2.gz PHBKGNKKLFVDGH-SNVBAGLBSA-N -1 3 353.379 0.070 10 0 FCAEHM CS(=O)(=O)NC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000409820510 533404962 /nfs/dbraw/zinc/40/49/62/533404962.db2.gz POYGJGCDMBHDKD-JOYOIKCWSA-N -1 3 351.425 0.217 10 0 FCAEHM O=S(=O)([N-]C[C@@H](O)CN1CCOCC1)c1ccccc1C(F)(F)F ZINC000097008278 222150776 /nfs/dbraw/zinc/15/07/76/222150776.db2.gz MRCXXRJZFDTXPO-LLVKDONJSA-N -1 3 368.377 0.677 10 0 FCAEHM Cc1cc(N2CCC[C@H]([N-]S(=O)(=O)CC[C@@H]3CCCO3)C2=O)n(C)n1 ZINC000097015029 222151238 /nfs/dbraw/zinc/15/12/38/222151238.db2.gz FEFAXWWICQBILM-KBPBESRZSA-N -1 3 370.475 0.712 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N3C[C@@H]4CCCC[C@H]4C3)cnc21 ZINC000175675136 229214503 /nfs/dbraw/zinc/21/45/03/229214503.db2.gz YPDQXJDUSRSGHN-QWRGUYRKSA-N -1 3 364.427 0.433 10 0 FCAEHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000189404037 229255034 /nfs/dbraw/zinc/25/50/34/229255034.db2.gz ZGIZAJBVKGQBLH-UHFFFAOYSA-N -1 3 363.805 0.087 10 0 FCAEHM COc1ccsc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000409793014 230045873 /nfs/dbraw/zinc/04/58/73/230045873.db2.gz MTNQDOLAXHTKSE-VHSXEESVSA-N -1 3 368.502 0.753 10 0 FCAEHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)s1 ZINC000409794472 230046633 /nfs/dbraw/zinc/04/66/33/230046633.db2.gz PEUHYSJGMWQNEV-GHMZBOCLSA-N -1 3 367.518 0.756 10 0 FCAEHM CCOC(=O)c1ccc(OC)c(S(=O)(=O)[N-][C@H](CF)C(=O)OC)c1 ZINC000287450734 488870772 /nfs/dbraw/zinc/87/07/72/488870772.db2.gz OERCJRWESQZYBR-SNVBAGLBSA-N -1 3 363.363 0.661 10 0 FCAEHM COCCCS(=O)(=O)[N-]CC(=O)Nc1ccn(C2CCOCC2)n1 ZINC000618905003 484309118 /nfs/dbraw/zinc/30/91/18/484309118.db2.gz XMQZBZYPZWQXDI-UHFFFAOYSA-N -1 3 360.436 0.129 10 0 FCAEHM O=c1[n-]cnc2c1ncn2[C@@H]1O[C@H](CO)[C@H]2O[C@H](c3ccccc3)O[C@H]21 ZINC000005729072 487491550 /nfs/dbraw/zinc/49/15/50/487491550.db2.gz CQHKALRFCCUGIM-MXNCWBMWSA-N -1 3 356.338 0.492 10 0 FCAEHM COC(=O)c1cnc(SCC(=O)NC[C@@H]2CN(CC(C)C)CCO2)[n-]1 ZINC000278555305 488881479 /nfs/dbraw/zinc/88/14/79/488881479.db2.gz BWODDPRSZWSONY-GFCCVEGCSA-N -1 3 370.475 0.761 10 0 FCAEHM COC(=O)c1c[n-]c(SCC(=O)NC[C@@H]2CN(CC(C)C)CCO2)n1 ZINC000278555305 488881482 /nfs/dbraw/zinc/88/14/82/488881482.db2.gz BWODDPRSZWSONY-GFCCVEGCSA-N -1 3 370.475 0.761 10 0 FCAEHM CCOC(=O)c1cc(S(=O)(=O)[N-][C@@H](CF)C(=O)OC)ccc1F ZINC000287617358 488887545 /nfs/dbraw/zinc/88/75/45/488887545.db2.gz ZWNWAGDDAFDPCX-NSHDSACASA-N -1 3 351.327 0.792 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@]3(CNC(=O)C3)C2)ccc1F ZINC000278929875 488905021 /nfs/dbraw/zinc/90/50/21/488905021.db2.gz JTSVNOHSMLLSRE-HNNXBMFYSA-N -1 3 355.391 0.086 10 0 FCAEHM COc1ccccc1CN(C)C(=O)CN1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000278995776 488909270 /nfs/dbraw/zinc/90/92/70/488909270.db2.gz CBRIMVLQYMJJRM-SFHVURJKSA-N -1 3 360.414 0.328 10 0 FCAEHM O=C1[N-]C(=O)[C@@]2(CCCN(S(=O)(=O)c3cccc4c3N=S=N4)C2)N1 ZINC000325429398 488910589 /nfs/dbraw/zinc/91/05/89/488910589.db2.gz QPFGXMFUNIICIN-ZDUSSCGKSA-N -1 3 367.412 0.776 10 0 FCAEHM COc1ccccc1N1CC[C@H](N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)C1=O ZINC000279037167 488912557 /nfs/dbraw/zinc/91/25/57/488912557.db2.gz IYAXVFMKNTVWHQ-UGSOOPFHSA-N -1 3 358.398 0.475 10 0 FCAEHM COc1cccc(CNC(=O)[C@H](C)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000279141258 488919734 /nfs/dbraw/zinc/91/97/34/488919734.db2.gz XLEWCALKHPXYST-SGTLLEGYSA-N -1 3 360.414 0.374 10 0 FCAEHM COCc1cccc(CNC(=O)CN2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000279141234 488920227 /nfs/dbraw/zinc/92/02/27/488920227.db2.gz XLEJGRPHORCBDA-SFHVURJKSA-N -1 3 360.414 0.123 10 0 FCAEHM CN(CCCNC(=O)CN1CCC[C@]2(C1)NC(=O)[N-]C2=O)c1ccccc1 ZINC000279141243 488920239 /nfs/dbraw/zinc/92/02/39/488920239.db2.gz XLENGFRKUBDYNB-LJQANCHMSA-N -1 3 373.457 0.303 10 0 FCAEHM O=C(/C=C/c1cncc([O-])c1)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000364088776 488921291 /nfs/dbraw/zinc/92/12/91/488921291.db2.gz YHHICGWIZSVNHC-NNTXTVRGSA-N -1 3 351.428 0.827 10 0 FCAEHM O=C(COc1ccc2ccc(=O)oc2c1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279400827 488939253 /nfs/dbraw/zinc/93/92/53/488939253.db2.gz GVTOHFMHCVJWFQ-GOSISDBHSA-N -1 3 371.349 0.372 10 0 FCAEHM COC(=O)[C@H](C)Oc1ccc(CN2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000279383020 488937322 /nfs/dbraw/zinc/93/73/22/488937322.db2.gz JHXAVMOKCINUIE-SGTLLEGYSA-N -1 3 361.398 0.801 10 0 FCAEHM CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279388882 488938281 /nfs/dbraw/zinc/93/82/81/488938281.db2.gz FYRWAENTTQQDRH-USBNGQNGSA-N -1 3 368.459 0.135 10 0 FCAEHM CC(C)(C)OC(=O)NCCCC(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279455887 488943208 /nfs/dbraw/zinc/94/32/08/488943208.db2.gz KUPLITMKCYLEBT-MRXNPFEDSA-N -1 3 354.407 0.492 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC000279527539 488949877 /nfs/dbraw/zinc/94/98/77/488949877.db2.gz MQGTUOKDXMJNBD-YGRLFVJLSA-N -1 3 357.457 0.154 10 0 FCAEHM C[C@H]1Oc2ccccc2N(CC(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)C1=O ZINC000279547074 488951723 /nfs/dbraw/zinc/95/17/23/488951723.db2.gz RCMKVNMOBPVVII-ADLMAVQZSA-N -1 3 372.381 0.001 10 0 FCAEHM Cc1cc([N-]C(=O)[C@@H](C)N2CCN(c3cc(C)nc4ncnn43)CC2)on1 ZINC000029722361 487730617 /nfs/dbraw/zinc/73/06/17/487730617.db2.gz IMYSMGWMPKXGMX-CYBMUJFWSA-N -1 3 370.417 0.878 10 0 FCAEHM Cc1ccc(CN(C)C(=O)Cn2cc(Br)c(=O)[n-]c2=O)o1 ZINC000029869245 487733630 /nfs/dbraw/zinc/73/36/30/487733630.db2.gz WEYLQPZYMWQUIR-UHFFFAOYSA-N -1 3 356.176 0.859 10 0 FCAEHM COc1ccc(CN(C)C(=O)C[C@@H]2NC(=O)[N-]C2=O)cc1OC(F)F ZINC000042402445 487863957 /nfs/dbraw/zinc/86/39/57/487863957.db2.gz BKWLEFOHHIYOTB-VIFPVBQESA-N -1 3 357.313 0.853 10 0 FCAEHM Cc1cccc(N2CCN(CCCNC(=O)C[C@@H]3NC(=O)[N-]C3=O)CC2)c1 ZINC000042598856 487870290 /nfs/dbraw/zinc/87/02/90/487870290.db2.gz NUTHIBKATBBMAO-INIZCTEOSA-N -1 3 373.457 0.221 10 0 FCAEHM CC(C)C(=O)N1CCN(C(=O)CC[N-]S(=O)(=O)c2cccs2)CC1 ZINC000043007143 487886263 /nfs/dbraw/zinc/88/62/63/487886263.db2.gz FGUCFIXRBXUERZ-UHFFFAOYSA-N -1 3 373.500 0.743 10 0 FCAEHM CC[C@]1(c2ccc(NC(=O)C[C@@H]3NC(=O)[N-]C3=O)cc2)CCC(=O)NC1=O ZINC000056165588 488253789 /nfs/dbraw/zinc/25/37/89/488253789.db2.gz CKEZMYOZAIHHTH-KPZWWZAWSA-N -1 3 372.381 0.308 10 0 FCAEHM COc1ccc(C2(CNC(=O)C[C@@H]3NC(=O)[N-]C3=O)CCOCC2)cc1 ZINC000056452308 488256752 /nfs/dbraw/zinc/25/67/52/488256752.db2.gz RRARAVLTXCTLIZ-AWEZNQCLSA-N -1 3 361.398 0.458 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H](C)C(=O)NC(C)(C)C ZINC000066923427 488340581 /nfs/dbraw/zinc/34/05/81/488340581.db2.gz TXGFXLSXEYRZEC-QWRGUYRKSA-N -1 3 373.450 0.912 10 0 FCAEHM C[C@@H](Cn1cncn1)NC(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000068087100 488360443 /nfs/dbraw/zinc/36/04/43/488360443.db2.gz GEKKAXOIJMAASV-JTQLQIEISA-N -1 3 373.385 0.430 10 0 FCAEHM CC[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000068277536 488363146 /nfs/dbraw/zinc/36/31/46/488363146.db2.gz OPKUFTCGVADOFU-TUAOUCFPSA-N -1 3 373.450 0.912 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CCOC[C@H]1CCOC1 ZINC000068942424 488370074 /nfs/dbraw/zinc/37/00/74/488370074.db2.gz AVPLUQJECOAMDR-LBPRGKRZSA-N -1 3 363.457 0.422 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)Nc1ccccc1C(=O)NC(C)C ZINC000268162078 488391823 /nfs/dbraw/zinc/39/18/23/488391823.db2.gz XPLUDOSLKJAVMT-UHFFFAOYSA-N -1 3 371.459 0.719 10 0 FCAEHM Cc1noc(CC[N-]S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)n1 ZINC000268386238 488413713 /nfs/dbraw/zinc/41/37/13/488413713.db2.gz KXLVZGBXMLLLOC-UHFFFAOYSA-N -1 3 363.392 0.442 10 0 FCAEHM COCCN1CCCN(C(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)CC1 ZINC000269229942 488480781 /nfs/dbraw/zinc/48/07/81/488480781.db2.gz FSJPWEXUWOKJOK-IBGZPJMESA-N -1 3 374.441 0.536 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCC(=O)Nc1cccnc1 ZINC000101528477 488494936 /nfs/dbraw/zinc/49/49/36/488494936.db2.gz APMLPSKLJKSBGV-UHFFFAOYSA-N -1 3 366.381 0.903 10 0 FCAEHM Cc1cc(N2CCC[C@H]([N-]S(=O)(=O)N3CCC[C@H]3C)C2=O)n(C)n1 ZINC000248691752 488501077 /nfs/dbraw/zinc/50/10/77/488501077.db2.gz ISKOATFDALYLJT-OLZOCXBDSA-N -1 3 355.464 0.543 10 0 FCAEHM CC(C)[C@H]([N-]S(=O)(=O)N1CCC[C@@H]1C)c1nc(-c2nc[nH]n2)no1 ZINC000248728408 488502100 /nfs/dbraw/zinc/50/21/00/488502100.db2.gz POTSMVOBUKPUNB-UWVGGRQHSA-N -1 3 355.424 0.871 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)nc1=N ZINC000569980566 491207608 /nfs/dbraw/zinc/20/76/08/491207608.db2.gz GIRCJRCENUHRBS-TZMCWYRMSA-N -1 3 354.414 0.944 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@H](CO)c1cccc(Br)c1 ZINC000271503794 488523276 /nfs/dbraw/zinc/52/32/76/488523276.db2.gz DNVFTSKLEVXVKK-VHSXEESVSA-N -1 3 356.176 0.197 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000271535540 488525173 /nfs/dbraw/zinc/52/51/73/488525173.db2.gz QDBBAAWCZPDLFL-NSHDSACASA-N -1 3 352.778 0.713 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)NC[C@@H]2C[C@H]2c2ccccc2)cn1C ZINC000111050432 488527802 /nfs/dbraw/zinc/52/78/02/488527802.db2.gz ZBVNQPGRKWSZQX-GJZGRUSLSA-N -1 3 362.455 0.927 10 0 FCAEHM CNC(=O)CNC(=O)c1c(C)oc2[n-]c(=O)n(-c3ccccc3)c(=O)c21 ZINC000111540837 488530175 /nfs/dbraw/zinc/53/01/75/488530175.db2.gz PKPLYVZBQDMNSO-UHFFFAOYSA-N -1 3 356.338 0.056 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)NC/C=C/c3ccccc3)cnc21 ZINC000112706227 488535770 /nfs/dbraw/zinc/53/57/70/488535770.db2.gz ZIWQKRBFNUEXPM-VMPITWQZSA-N -1 3 372.406 0.614 10 0 FCAEHM COC(=O)CCNC(=O)CC[N-]S(=O)(=O)c1sccc1OC ZINC000599476054 492177971 /nfs/dbraw/zinc/17/79/71/492177971.db2.gz IECGDBLFZVMWAR-UHFFFAOYSA-N -1 3 350.418 0.104 10 0 FCAEHM CN1CCC[C@H]1C[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000271705502 488540388 /nfs/dbraw/zinc/54/03/88/488540388.db2.gz IGLMIKGKOGUHKC-JTQLQIEISA-N -1 3 350.437 0.602 10 0 FCAEHM CN(C)c1ncc(NC(=O)N2CCC[C@H]2C[C@]2(C)NC(=O)[N-]C2=O)cn1 ZINC000554487475 491205321 /nfs/dbraw/zinc/20/53/21/491205321.db2.gz SNGSHMJLVOKSQW-ZBEGNZNMSA-N -1 3 361.406 0.527 10 0 FCAEHM CC(C)CN1CCO[C@H](CNC(=O)CN2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)C1 ZINC000262182231 488555623 /nfs/dbraw/zinc/55/56/23/488555623.db2.gz QDSZBWVBSSMBKO-FRQCXROJSA-N -1 3 367.490 0.646 10 0 FCAEHM CN1CC[C@@H](NC(=O)C[C@@H]2NC(=O)[N-]C2=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000124438232 488593100 /nfs/dbraw/zinc/59/31/00/488593100.db2.gz IDOGSFFWDFNQQQ-DYEKYZERSA-N -1 3 368.796 0.939 10 0 FCAEHM Cn1cc([C@H](CO)[N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)cn1 ZINC000272859527 488612305 /nfs/dbraw/zinc/61/23/05/488612305.db2.gz WZOMMVJHHBMWKI-JTQLQIEISA-N -1 3 350.322 0.846 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)NC[C@@H](CO)c1ccccc1 ZINC000127223334 488615328 /nfs/dbraw/zinc/61/53/28/488615328.db2.gz QJLMZHACACUFNV-HNNXBMFYSA-N -1 3 367.405 0.972 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc(C(N)=O)nc1 ZINC000127702376 488619046 /nfs/dbraw/zinc/61/90/46/488619046.db2.gz MMODHECXHSUNQH-UHFFFAOYSA-N -1 3 352.354 0.885 10 0 FCAEHM COCCN(C)CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000263704342 488620105 /nfs/dbraw/zinc/62/01/05/488620105.db2.gz CITUCVPPJFVBSS-LBPRGKRZSA-N -1 3 361.439 0.187 10 0 FCAEHM COc1cccc(CNC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)n1 ZINC000128438874 488624735 /nfs/dbraw/zinc/62/47/35/488624735.db2.gz GWRMDLYLOYHOLT-UHFFFAOYSA-N -1 3 354.366 0.800 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCC(=O)OCC1CC1 ZINC000263841624 488630500 /nfs/dbraw/zinc/63/05/00/488630500.db2.gz WFPJNCJJEHNTMJ-JTQLQIEISA-N -1 3 358.391 0.562 10 0 FCAEHM C[C@@H](CO[N-]C(=O)CCC[C@@]1(C)NC(=O)NC1=O)NC(=O)OC(C)(C)C ZINC000273101209 488631944 /nfs/dbraw/zinc/63/19/44/488631944.db2.gz PPSHBEFJYPWGEU-MGPLVRAMSA-N -1 3 372.422 0.716 10 0 FCAEHM CC[C@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1)c1nccs1 ZINC000130539006 488638326 /nfs/dbraw/zinc/63/83/26/488638326.db2.gz MZWLPRKNZAEYQS-JTQLQIEISA-N -1 3 357.461 0.731 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCCN1CCOC1=O ZINC000264076395 488646911 /nfs/dbraw/zinc/64/69/11/488646911.db2.gz UTKQEPNNHSOOKI-JTQLQIEISA-N -1 3 361.445 0.373 10 0 FCAEHM CCN(CCc1nccs1)C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000131675065 488647739 /nfs/dbraw/zinc/64/77/39/488647739.db2.gz XHDWDRSYYHZRQL-UHFFFAOYSA-N -1 3 357.461 0.246 10 0 FCAEHM CN1CC[C@@H](NC(=O)C[C@@H]2NC(=O)[N-]C2=O)[C@@H]1c1ccc(Cl)cc1 ZINC000134364478 488666562 /nfs/dbraw/zinc/66/65/62/488666562.db2.gz WVYGVOSYJLUCFT-DYEKYZERSA-N -1 3 350.806 0.800 10 0 FCAEHM C[C@@H](CCNC(=O)CC[N-]S(=O)(=O)c1cccs1)[S@](C)=O ZINC000134891910 488669281 /nfs/dbraw/zinc/66/92/81/488669281.db2.gz WHFFZUZITAKXIC-WVDJIFEKSA-N -1 3 352.503 0.690 10 0 FCAEHM C[C@H](CCNC(=O)CC[N-]S(=O)(=O)c1cccs1)[S@@](C)=O ZINC000134891968 488669721 /nfs/dbraw/zinc/66/97/21/488669721.db2.gz WHFFZUZITAKXIC-SBKAZYGRSA-N -1 3 352.503 0.690 10 0 FCAEHM C[C@@H](CCNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)[S@](C)=O ZINC000134967658 488670059 /nfs/dbraw/zinc/67/00/59/488670059.db2.gz YTLYCPMMGOQTPA-FFVOIRBGSA-N -1 3 372.921 0.953 10 0 FCAEHM C[C@H](CCNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)[S@](C)=O ZINC000134967680 488670151 /nfs/dbraw/zinc/67/01/51/488670151.db2.gz YTLYCPMMGOQTPA-ZPWHCFADSA-N -1 3 372.921 0.953 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCc1ccc(-n2cnc3ccccc32)nc1 ZINC000143621572 488691067 /nfs/dbraw/zinc/69/10/67/488691067.db2.gz QUCIECFQGKITLP-ZDUSSCGKSA-N -1 3 364.365 0.635 10 0 FCAEHM COc1cccc(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)c1[O-] ZINC000264630904 488692793 /nfs/dbraw/zinc/69/27/93/488692793.db2.gz BKSRSVJHHFSCHF-GFCCVEGCSA-N -1 3 372.443 0.619 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000264705959 488700837 /nfs/dbraw/zinc/70/08/37/488700837.db2.gz NVBQSNBFYMESMX-UHFFFAOYSA-N -1 3 366.368 0.597 10 0 FCAEHM C[C@@H](CNC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)c1ccc(F)cc1F ZINC000151739613 488709044 /nfs/dbraw/zinc/70/90/44/488709044.db2.gz QFVUDMIXAVIETI-JTQLQIEISA-N -1 3 372.397 0.897 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CCO[C@@]2(CCOC2)C1 ZINC000274451853 488709463 /nfs/dbraw/zinc/70/94/63/488709463.db2.gz MZISPPWVUYYJFG-AWEZNQCLSA-N -1 3 360.457 0.434 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](C(C)(C)C)[C@@H](O)C2)cn1 ZINC000274680625 488726837 /nfs/dbraw/zinc/72/68/37/488726837.db2.gz JPSZKPWTMNTNPF-STQMWFEESA-N -1 3 355.460 0.859 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C(C)(C)C)[C@H](O)C2)cn1 ZINC000274680591 488727005 /nfs/dbraw/zinc/72/70/05/488727005.db2.gz JPSZKPWTMNTNPF-CHWSQXEVSA-N -1 3 355.460 0.859 10 0 FCAEHM Cc1nc(C)c(CCC(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)c(=O)[n-]1 ZINC000154031191 488737564 /nfs/dbraw/zinc/73/75/64/488737564.db2.gz ZIAVUTGMPYCLBE-CQSZACIVSA-N -1 3 358.446 0.838 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC000274868576 488739294 /nfs/dbraw/zinc/73/92/94/488739294.db2.gz LOXHKPOFQIQQKR-UHFFFAOYSA-N -1 3 356.382 0.866 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000266923079 488744274 /nfs/dbraw/zinc/74/42/74/488744274.db2.gz PZDQAAOANCVKMF-CQSZACIVSA-N -1 3 358.398 0.349 10 0 FCAEHM COc1ccc(Cl)cc1NC(=O)CCNC(=O)CN1CC(=O)[N-]C1=O ZINC000266985518 488750178 /nfs/dbraw/zinc/75/01/78/488750178.db2.gz HMOJAAPFHAXFGF-UHFFFAOYSA-N -1 3 368.777 0.345 10 0 FCAEHM O=C(CNC(=O)c1cccc([O-])c1)N[C@H]1CCCN(c2ncccn2)C1 ZINC000275140831 488765690 /nfs/dbraw/zinc/76/56/90/488765690.db2.gz NAAUALAZZMKGML-AWEZNQCLSA-N -1 3 355.398 0.697 10 0 FCAEHM CC(C)(CNC(=O)CNC(=O)c1cccc([O-])c1)N1CCS(=O)CC1 ZINC000275229247 488775073 /nfs/dbraw/zinc/77/50/73/488775073.db2.gz FBKNLHPTDBFYAG-UHFFFAOYSA-N -1 3 367.471 0.081 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)[C@@H](O)C(=O)OC)cc1F ZINC000277827234 488789638 /nfs/dbraw/zinc/78/96/38/488789638.db2.gz YUCHYOAFTXHQGL-NSHDSACASA-N -1 3 363.363 0.203 10 0 FCAEHM C[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000277865457 488790528 /nfs/dbraw/zinc/79/05/28/488790528.db2.gz NGUYXRAVOSMMNF-BXKDBHETSA-N -1 3 351.421 0.933 10 0 FCAEHM C[C@H]1C[C@H](N(C)S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCN1C ZINC000267593709 488801734 /nfs/dbraw/zinc/80/17/34/488801734.db2.gz BGWBTHUDBHZBTE-VHSXEESVSA-N -1 3 367.431 0.539 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CCN3CCCC[C@H]3C2)cn1C ZINC000171279302 488821835 /nfs/dbraw/zinc/82/18/35/488821835.db2.gz BDHSLVPWKVKGPD-AWEZNQCLSA-N -1 3 369.491 0.094 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCCn3ncnc32)ccc1F ZINC000175706854 488855088 /nfs/dbraw/zinc/85/50/88/488855088.db2.gz LHRKNCNWEDDUJK-NSHDSACASA-N -1 3 353.379 0.590 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)NC[C@](C)(O)C2CCCCC2)c1 ZINC000570207743 491225079 /nfs/dbraw/zinc/22/50/79/491225079.db2.gz CPELANFUBAKZDN-HNNXBMFYSA-N -1 3 358.464 0.146 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@@H](CO)c1ccccc1OC(F)(F)F ZINC000280275424 488994071 /nfs/dbraw/zinc/99/40/71/488994071.db2.gz REAHREMXZUSBNM-IUCAKERBSA-N -1 3 361.276 0.333 10 0 FCAEHM O=c1nc([C@@H]2CCCN(CCNS(=O)(=O)c3ccccc3)C2)[nH][n-]1 ZINC000288782328 489015438 /nfs/dbraw/zinc/01/54/38/489015438.db2.gz BWAXXHCDTCJPPQ-GFCCVEGCSA-N -1 3 351.432 0.256 10 0 FCAEHM COc1cccc(CNC(=O)[C@H](C)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000288786873 489016092 /nfs/dbraw/zinc/01/60/92/489016092.db2.gz CBMRUEKTFMZBRZ-GXTWGEPZSA-N -1 3 359.430 0.991 10 0 FCAEHM COCc1ccc(CNC(=O)CN2CCC[C@H](c3nc(=O)[n-][nH]3)C2)cc1 ZINC000288797692 489016775 /nfs/dbraw/zinc/01/67/75/489016775.db2.gz CUPGXTRDDPEFEN-HNNXBMFYSA-N -1 3 359.430 0.740 10 0 FCAEHM CC(=O)c1cccc(OC[C@@H](O)CN2CCC[C@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000289159296 489045564 /nfs/dbraw/zinc/04/55/64/489045564.db2.gz DNKXZOCUWSLJCO-GJZGRUSLSA-N -1 3 360.414 0.920 10 0 FCAEHM CN(C)C(=O)c1ccc(NC(=O)CN2CCC(c3nc(=O)[n-][nH]3)CC2)cc1 ZINC000281116538 489054592 /nfs/dbraw/zinc/05/45/92/489054592.db2.gz XDZDLUQZWRTUEV-UHFFFAOYSA-N -1 3 372.429 0.618 10 0 FCAEHM CC[C@@]1(C)NC(=O)N([N-]C(=O)[C@H](F)C2CN(C(=O)OC(C)(C)C)C2)C1=O ZINC000289439288 489067281 /nfs/dbraw/zinc/06/72/81/489067281.db2.gz YQMUONLOCMRLSA-QLJPJBMISA-N -1 3 372.397 0.943 10 0 FCAEHM CC[C@]1(C)NC(=O)N([N-]C(=O)[C@@H](F)C2CN(C(=O)OC(C)(C)C)C2)C1=O ZINC000289439286 489067371 /nfs/dbraw/zinc/06/73/71/489067371.db2.gz YQMUONLOCMRLSA-QFYYESIMSA-N -1 3 372.397 0.943 10 0 FCAEHM CN(C)[C@@H](CNC(=O)CN1CCC[C@H](c2nc(=O)[n-][nH]2)C1)c1ccccc1 ZINC000289503026 489072054 /nfs/dbraw/zinc/07/20/54/489072054.db2.gz UJCYQHGVGPLDMT-HOTGVXAUSA-N -1 3 372.473 0.697 10 0 FCAEHM C[C@@H]1CCCN(S(=O)(=O)[N-]c2cnn(CC(=O)N3CCOCC3)c2)C1 ZINC000365573740 489089603 /nfs/dbraw/zinc/08/96/03/489089603.db2.gz DHBCTAICUAMBGP-CYBMUJFWSA-N -1 3 371.463 0.131 10 0 FCAEHM C[C@@]1(c2ccc(C(=O)NC[C@H](CO)c3cccnc3)cc2)NC(=O)[N-]C1=O ZINC000570311658 491232799 /nfs/dbraw/zinc/23/27/99/491232799.db2.gz UKJMBWZJOWPCMC-KUHUBIRLSA-N -1 3 368.393 0.642 10 0 FCAEHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)CCCO)cc1F ZINC000281915214 489116571 /nfs/dbraw/zinc/11/65/71/489116571.db2.gz JIAMAJRGBGTWGF-UHFFFAOYSA-N -1 3 368.452 0.980 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)NCCc2cccc3[nH]ccc32)c1 ZINC000282144272 489138993 /nfs/dbraw/zinc/13/89/93/489138993.db2.gz NLFIDKPLHHZHDH-UHFFFAOYSA-N -1 3 361.427 0.539 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2COc3ccc(F)cc3C2)cn1 ZINC000290424466 489139555 /nfs/dbraw/zinc/13/95/55/489139555.db2.gz AMQIFOVAIKFRFV-CYBMUJFWSA-N -1 3 365.386 0.862 10 0 FCAEHM O=C(c1cnn(-c2ccc(F)cc2)n1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000366125424 489148613 /nfs/dbraw/zinc/14/86/13/489148613.db2.gz CXMSGULLIMWWMX-INIZCTEOSA-N -1 3 358.333 0.221 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C[C@@H]1CN(C)CCN1C ZINC000290716161 489159913 /nfs/dbraw/zinc/15/99/13/489159913.db2.gz JYYPJQBMJIUOQD-GFCCVEGCSA-N -1 3 359.448 0.207 10 0 FCAEHM CC(C)Oc1ccc([C@H](CNC(=O)CN2CC(=O)[N-]C2=O)N(C)C)cc1 ZINC000290723687 489160502 /nfs/dbraw/zinc/16/05/02/489160502.db2.gz XVHOEQYBMHXSJQ-HNNXBMFYSA-N -1 3 362.430 0.745 10 0 FCAEHM NC(=O)[C@H]1CCCCC[C@H]1NC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000555060321 491237161 /nfs/dbraw/zinc/23/71/61/491237161.db2.gz FSGLFSCXUGDPAG-WDEREUQCSA-N -1 3 359.473 0.577 10 0 FCAEHM CC[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]C)nc2)C[C@@]2(CCOC2)O1 ZINC000366520516 489191172 /nfs/dbraw/zinc/19/11/72/489191172.db2.gz PPOGLECJWQZEHC-CZUORRHYSA-N -1 3 369.443 0.400 10 0 FCAEHM O=C(Cc1ccccc1)NCCC(=O)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000297709438 489227897 /nfs/dbraw/zinc/22/78/97/489227897.db2.gz KPBJBMNAYUOQQE-UHFFFAOYSA-N -1 3 356.386 0.384 10 0 FCAEHM O=C(Cc1ccccc1)NCCC(=O)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000297709438 489227901 /nfs/dbraw/zinc/22/79/01/489227901.db2.gz KPBJBMNAYUOQQE-UHFFFAOYSA-N -1 3 356.386 0.384 10 0 FCAEHM O=C(CCNC(=O)Cc1ccccc1)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000297709438 489227904 /nfs/dbraw/zinc/22/79/04/489227904.db2.gz KPBJBMNAYUOQQE-UHFFFAOYSA-N -1 3 356.386 0.384 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000369435169 489236070 /nfs/dbraw/zinc/23/60/70/489236070.db2.gz JHUKOGLUDSCLOE-JTQLQIEISA-N -1 3 368.340 0.535 10 0 FCAEHM O=C(NC1CC1)c1nn[n-]c1NC(=O)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000297757867 489236072 /nfs/dbraw/zinc/23/60/72/489236072.db2.gz OSKLHVMCSSZGDV-QMMMGPOBSA-N -1 3 360.340 0.910 10 0 FCAEHM O=C(NC1CC1)c1[n-]nnc1NC(=O)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000297757867 489236076 /nfs/dbraw/zinc/23/60/76/489236076.db2.gz OSKLHVMCSSZGDV-QMMMGPOBSA-N -1 3 360.340 0.910 10 0 FCAEHM O=C(NC1CC1)c1n[n-]nc1NC(=O)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000297757867 489236080 /nfs/dbraw/zinc/23/60/80/489236080.db2.gz OSKLHVMCSSZGDV-QMMMGPOBSA-N -1 3 360.340 0.910 10 0 FCAEHM Cc1cc(F)ccc1-n1cc(C(=O)Nc2[n-]nnc2C(=O)NC2CC2)nn1 ZINC000297804323 489243571 /nfs/dbraw/zinc/24/35/71/489243571.db2.gz SOZDPUGMPHUMPG-UHFFFAOYSA-N -1 3 370.348 0.977 10 0 FCAEHM Cc1cc(F)ccc1-n1cc(C(=O)Nc2nn[n-]c2C(=O)NC2CC2)nn1 ZINC000297804323 489243573 /nfs/dbraw/zinc/24/35/73/489243573.db2.gz SOZDPUGMPHUMPG-UHFFFAOYSA-N -1 3 370.348 0.977 10 0 FCAEHM Cc1cc(F)ccc1-n1cc(C(=O)Nc2n[n-]nc2C(=O)NC2CC2)nn1 ZINC000297804323 489243575 /nfs/dbraw/zinc/24/35/75/489243575.db2.gz SOZDPUGMPHUMPG-UHFFFAOYSA-N -1 3 370.348 0.977 10 0 FCAEHM COCCCn1c(=O)[n-]nc1S[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000369697944 489265924 /nfs/dbraw/zinc/26/59/24/489265924.db2.gz TZXGRGDWMSJBNN-NSHDSACASA-N -1 3 366.447 0.960 10 0 FCAEHM COC(=O)CCN(C[C@@H]1CCCO1)C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000555253355 491242939 /nfs/dbraw/zinc/24/29/39/491242939.db2.gz AQDCQUCAAXQYAG-NSHDSACASA-N -1 3 352.391 0.433 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CC(=O)N(C)C2=O)c(Cl)c1 ZINC000283659773 489288095 /nfs/dbraw/zinc/28/80/95/489288095.db2.gz ZBCVPVOBRQGTMZ-VIFPVBQESA-N -1 3 360.775 0.162 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000298128561 489294446 /nfs/dbraw/zinc/29/44/46/489294446.db2.gz KSUNEZFLMLFIFI-SNVBAGLBSA-N -1 3 367.427 0.896 10 0 FCAEHM CN1C(=O)N[C@]2(CCC[C@H]2C[N-]S(=O)(=O)c2ccccc2F)C1=O ZINC000370024975 489304576 /nfs/dbraw/zinc/30/45/76/489304576.db2.gz GWMSXZCZKCSIDQ-BONVTDFDSA-N -1 3 355.391 0.825 10 0 FCAEHM CC1(C2(NS(=O)(=O)CCCS(=O)(=O)[N-]c3ccnnc3)CC2)CC1 ZINC000349531986 489308761 /nfs/dbraw/zinc/30/87/61/489308761.db2.gz ATHJFVRTQISSAI-UHFFFAOYSA-N -1 3 374.488 0.861 10 0 FCAEHM COCC[C@@](C)(O)CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000370046568 489309760 /nfs/dbraw/zinc/30/97/60/489309760.db2.gz KTEXRAFXOWOKFN-RDTXWAMCSA-N -1 3 350.415 0.901 10 0 FCAEHM Cc1n[nH]cc1[N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000349541164 489311963 /nfs/dbraw/zinc/31/19/63/489311963.db2.gz KVQWJNRNQNFJNB-PJXYFTJBSA-N -1 3 362.477 0.568 10 0 FCAEHM Cc1n[nH]c(C)c1[N-]S(=O)(=O)CCCS(=O)(=O)N[C@H](C)C1CC1 ZINC000349551472 489313602 /nfs/dbraw/zinc/31/36/02/489313602.db2.gz KOJQULARUIVZEI-SECBINFHSA-N -1 3 364.493 0.876 10 0 FCAEHM Cc1n[nH]c(C)c1[N-]S(=O)(=O)CCCCS(=O)(=O)NC(C)C ZINC000349559998 489315268 /nfs/dbraw/zinc/31/52/68/489315268.db2.gz AWTGINOKOFXFPQ-UHFFFAOYSA-N -1 3 352.482 0.876 10 0 FCAEHM O=S(=O)(CCCS(=O)(=O)N[C@@H]1CCCOC1)[N-]c1cccnc1 ZINC000349591153 489322433 /nfs/dbraw/zinc/32/24/33/489322433.db2.gz LAMWWGPFVMBUIO-CYBMUJFWSA-N -1 3 363.461 0.312 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c(C)o1 ZINC000370244349 489333964 /nfs/dbraw/zinc/33/39/64/489333964.db2.gz PHMRBYLGZZMAQW-XRNSZHNASA-N -1 3 355.416 0.235 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCC(CC(N)=O)CC1 ZINC000298573892 489339015 /nfs/dbraw/zinc/33/90/15/489339015.db2.gz GMMAUZCZFVGXCR-NSHDSACASA-N -1 3 371.434 0.607 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCc2nc(-c3cscn3)no2)cn1C ZINC000350541278 489341808 /nfs/dbraw/zinc/34/18/08/489341808.db2.gz HJTNHQNHVYWWKH-UHFFFAOYSA-N -1 3 354.417 0.756 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCc2nc([C@H]3CCOC[C@@H]3C)no2)cn1C ZINC000350605314 489342696 /nfs/dbraw/zinc/34/26/96/489342696.db2.gz ZWDJGCDEUPHVOB-JQWIXIFHSA-N -1 3 369.447 0.773 10 0 FCAEHM NS(=O)(=O)CCCC[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000555394383 491249349 /nfs/dbraw/zinc/24/93/49/491249349.db2.gz FZVIDYQTNJOWAO-UHFFFAOYSA-N -1 3 361.367 0.447 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000362062421 489373845 /nfs/dbraw/zinc/37/38/45/489373845.db2.gz BTQLOKCNTYQSQZ-JQWIXIFHSA-N -1 3 370.331 0.998 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NC[C@@H](NCc1ccccc1)c1ccco1 ZINC000286387111 489386623 /nfs/dbraw/zinc/38/66/23/489386623.db2.gz KORGVLPRXNRDAD-CQSZACIVSA-N -1 3 356.382 0.779 10 0 FCAEHM C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000570583373 491251677 /nfs/dbraw/zinc/25/16/77/491251677.db2.gz FYWBKMAJELLSCR-KKUMJFAQSA-N -1 3 353.463 0.792 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H](C)c1nncn1C ZINC000298986748 489391380 /nfs/dbraw/zinc/39/13/80/489391380.db2.gz ICUBOODEGMPGPP-UWVGGRQHSA-N -1 3 355.395 0.498 10 0 FCAEHM COC(=O)c1ccc(N2CCC[C@H]2C[C@]2(C)NC(=O)[N-]C2=O)nc1OC ZINC000286534361 489401577 /nfs/dbraw/zinc/40/15/77/489401577.db2.gz YTPVTLMFIADAFN-BTDLBPIBSA-N -1 3 362.386 0.834 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000362850645 489401966 /nfs/dbraw/zinc/40/19/66/489401966.db2.gz IXVHWEPRMMUCSC-SNVBAGLBSA-N -1 3 352.341 0.459 10 0 FCAEHM COC(=O)CCS(=O)(=O)[N-]c1cccc(C(=O)N2CCOCC2)c1C ZINC000299127660 489408727 /nfs/dbraw/zinc/40/87/27/489408727.db2.gz CDHFJCHVJADGJR-UHFFFAOYSA-N -1 3 370.427 0.772 10 0 FCAEHM CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)CC[C@H]2NC(=O)[N-]C2=O)C1 ZINC000299169382 489412992 /nfs/dbraw/zinc/41/29/92/489412992.db2.gz VGLGVSDSIJPESP-WDEREUQCSA-N -1 3 354.407 0.490 10 0 FCAEHM C[C@H](CN1CCOCC1)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000363085726 489422011 /nfs/dbraw/zinc/42/20/11/489422011.db2.gz HRDQQDHXUOACSX-GDBMZVCRSA-N -1 3 361.442 0.834 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CCOC[C@H]1CC(F)F ZINC000286841630 489435844 /nfs/dbraw/zinc/43/58/44/489435844.db2.gz ZNBGUDFIVQCOHZ-SECBINFHSA-N -1 3 354.400 0.909 10 0 FCAEHM CN(CCC(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O)C(=O)OC(C)(C)C ZINC000286935016 489445003 /nfs/dbraw/zinc/44/50/03/489445003.db2.gz DPOVRXLRGXKNIF-MRXNPFEDSA-N -1 3 354.407 0.444 10 0 FCAEHM NC(=O)[C@@H]1CC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])O1 ZINC000371143160 489456145 /nfs/dbraw/zinc/45/61/45/489456145.db2.gz YFNFCUXRPLDBAG-LNSITVRQSA-N -1 3 361.398 0.146 10 0 FCAEHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000363532771 489476515 /nfs/dbraw/zinc/47/65/15/489476515.db2.gz LDTOETQSQJMXMF-IVZWLZJFSA-N -1 3 358.441 0.822 10 0 FCAEHM O=C(CS(=O)(=O)c1nc2c([n-]1)CCC2)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000555617914 491259990 /nfs/dbraw/zinc/25/99/90/491259990.db2.gz OAEFWKVGIGTPAH-UONOGXRCSA-N -1 3 353.444 0.842 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C[C@H]1CCN(C)C(=O)C1 ZINC000425182655 489517900 /nfs/dbraw/zinc/51/79/00/489517900.db2.gz KMNZWTUYFVXERG-NSHDSACASA-N -1 3 358.416 0.830 10 0 FCAEHM COc1ccc2c(c1)[n-]cc(C(=O)NCCCCS(N)(=O)=O)c2=O ZINC000452157355 489550003 /nfs/dbraw/zinc/55/00/03/489550003.db2.gz XSUKUQMEMVLRIR-UHFFFAOYSA-N -1 3 353.400 0.335 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)NCC2(O)Cc3ccccc3C2)cn1 ZINC000372197903 489558870 /nfs/dbraw/zinc/55/88/70/489558870.db2.gz UGMYTRSPZYSNKF-UHFFFAOYSA-N -1 3 361.423 0.249 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000372246516 489563566 /nfs/dbraw/zinc/56/35/66/489563566.db2.gz DWGUBSKPICYCDY-JSGCOSHPSA-N -1 3 355.398 0.873 10 0 FCAEHM C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000416288534 489577815 /nfs/dbraw/zinc/57/78/15/489577815.db2.gz DIRLTTSYJSQDQY-NWDGAFQWSA-N -1 3 373.450 0.724 10 0 FCAEHM COC(=O)C[C@@]1([N-]S(=O)(=O)c2cn3c(n2)CCC[C@@H]3C)CCOC1 ZINC000416464474 489596259 /nfs/dbraw/zinc/59/62/59/489596259.db2.gz HURDQGQBTZHWJG-NHYWBVRUSA-N -1 3 357.432 0.781 10 0 FCAEHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H](CO)c2ccnn2C)c1 ZINC000416555480 489609082 /nfs/dbraw/zinc/60/90/82/489609082.db2.gz XEDARNMCGZZKRN-LBPRGKRZSA-N -1 3 357.363 0.358 10 0 FCAEHM COCCNC(=O)C1([N-]S(=O)(=O)c2cnccc2C(F)(F)F)CC1 ZINC000416566481 489610355 /nfs/dbraw/zinc/61/03/55/489610355.db2.gz GRLQWEZJVIKBOL-UHFFFAOYSA-N -1 3 367.349 0.674 10 0 FCAEHM COC(=O)[C@@H](CC1CC1)[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000416575849 489613295 /nfs/dbraw/zinc/61/32/95/489613295.db2.gz CARGPFJUWZITOL-LLVKDONJSA-N -1 3 361.441 0.710 10 0 FCAEHM C[C@@H](Sc1nncn1C)C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000427873378 489625045 /nfs/dbraw/zinc/62/50/45/489625045.db2.gz KXVLHDOIKHFSEC-MRVPVSSYSA-N -1 3 362.415 0.830 10 0 FCAEHM C[C@H](Sc1nncn1C)C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000427873383 489625262 /nfs/dbraw/zinc/62/52/62/489625262.db2.gz KXVLHDOIKHFSEC-QMMMGPOBSA-N -1 3 362.415 0.830 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2C[C@@](C)(O)C2)cc1F ZINC000416672986 489625866 /nfs/dbraw/zinc/62/58/66/489625866.db2.gz ZPYXMCJUQZJBEX-SWZMTVOYSA-N -1 3 366.436 0.779 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)c3ccc4[nH]c(=O)[nH]c4n3)cc2n(C)c1=O ZINC000427985025 489632120 /nfs/dbraw/zinc/63/21/20/489632120.db2.gz ZRRQUSDIIDHSPL-UHFFFAOYSA-N -1 3 354.326 0.812 10 0 FCAEHM CCCCS(=O)(=O)NCC(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000428011080 489632625 /nfs/dbraw/zinc/63/26/25/489632625.db2.gz OFINJCLUYBMJEM-UHFFFAOYSA-N -1 3 370.431 0.241 10 0 FCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000428069865 489636413 /nfs/dbraw/zinc/63/64/13/489636413.db2.gz LYPGZWZTANTKME-GHMZBOCLSA-N -1 3 359.382 0.714 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC[C@]1(C)CCC(=O)N1 ZINC000457192378 489639731 /nfs/dbraw/zinc/63/97/31/489639731.db2.gz QMEZZWVEAZTCHR-BONVTDFDSA-N -1 3 357.407 0.277 10 0 FCAEHM CCNC(=O)COc1ccc(CN[C@]2(C(=O)[O-])CCOC2)cc1OC ZINC000417567913 489658982 /nfs/dbraw/zinc/65/89/82/489658982.db2.gz OAOPPPIWKKXGOU-QGZVFWFLSA-N -1 3 352.387 0.543 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]C2CC2)CCC1=O ZINC000555807099 491274660 /nfs/dbraw/zinc/27/46/60/491274660.db2.gz QUNNNSJHLZIXDH-LLVKDONJSA-N -1 3 372.468 0.727 10 0 FCAEHM CCOC(=O)C[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000473084689 489737258 /nfs/dbraw/zinc/73/72/58/489737258.db2.gz HEEAABJTSMKIPI-QWRGUYRKSA-N -1 3 360.407 0.950 10 0 FCAEHM CCOC(=O)CN(C(=O)c1ccc(S(=O)(=O)[N-]C)nc1)C1CCC1 ZINC000474426819 489762701 /nfs/dbraw/zinc/76/27/01/489762701.db2.gz LQGXJGDVWOTBIB-UHFFFAOYSA-N -1 3 355.416 0.548 10 0 FCAEHM COc1nc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)n[n-]1 ZINC000490689487 489779855 /nfs/dbraw/zinc/77/98/55/489779855.db2.gz FVTVTZGYNWPPJF-MRVPVSSYSA-N -1 3 351.388 0.776 10 0 FCAEHM COc1nnc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)[n-]1 ZINC000490689487 489779860 /nfs/dbraw/zinc/77/98/60/489779860.db2.gz FVTVTZGYNWPPJF-MRVPVSSYSA-N -1 3 351.388 0.776 10 0 FCAEHM COc1n[n-]c(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)n1 ZINC000490689487 489779863 /nfs/dbraw/zinc/77/98/63/489779863.db2.gz FVTVTZGYNWPPJF-MRVPVSSYSA-N -1 3 351.388 0.776 10 0 FCAEHM COc1cc(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)cc(OC)c1[O-] ZINC000491231800 489798295 /nfs/dbraw/zinc/79/82/95/489798295.db2.gz HZXYRNPUOBDQHM-ZDUSSCGKSA-N -1 3 364.398 0.919 10 0 FCAEHM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N[C@@H]1CNCCC1(F)F ZINC000563960571 491279782 /nfs/dbraw/zinc/27/97/82/491279782.db2.gz TYJSUXRNPRHMCW-LLVKDONJSA-N -1 3 364.356 0.604 10 0 FCAEHM COCCN1CCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)OC)c(C)o1 ZINC000431824130 489819482 /nfs/dbraw/zinc/81/94/82/489819482.db2.gz NXSIWCXPZAKTAW-LBPRGKRZSA-N -1 3 360.432 0.764 10 0 FCAEHM NC(=O)CN1CCN(C(=O)Cc2ccc(Br)cc2[O-])CC1 ZINC000432799563 489855356 /nfs/dbraw/zinc/85/53/56/489855356.db2.gz CKGWWQVFRLGEIV-UHFFFAOYSA-N -1 3 356.220 0.327 10 0 FCAEHM CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000564013581 491283187 /nfs/dbraw/zinc/28/31/87/491283187.db2.gz YGDLTWIISVAIFB-YPMHNXCESA-N -1 3 363.443 0.919 10 0 FCAEHM C[C@H]1CCCN(S(=O)(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)C1 ZINC000564011578 491283457 /nfs/dbraw/zinc/28/34/57/491283457.db2.gz FCCQKAGXLZCSBX-JTQLQIEISA-N -1 3 354.432 0.971 10 0 FCAEHM C[C@H]1CCCN(S(=O)(=O)[N-]c2cc3c(cc2O)n(C)c(=O)n3C)C1 ZINC000564011578 491283459 /nfs/dbraw/zinc/28/34/59/491283459.db2.gz FCCQKAGXLZCSBX-JTQLQIEISA-N -1 3 354.432 0.971 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCC[C@H](C)[S@@](C)=O ZINC000493954403 489864896 /nfs/dbraw/zinc/86/48/96/489864896.db2.gz FDUVDQVBUIXMGE-WEVHURDZSA-N -1 3 364.464 0.766 10 0 FCAEHM O=C(c1cccc(Nc2cnccn2)c1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000377201592 489867054 /nfs/dbraw/zinc/86/70/54/489867054.db2.gz MRHWCOBSKFIMOA-GOSISDBHSA-N -1 3 366.381 1.034 10 0 FCAEHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)[C@H]1OC ZINC000460487631 489868484 /nfs/dbraw/zinc/86/84/84/489868484.db2.gz GICOIBIYIZOMLF-MISXGVKJSA-N -1 3 363.457 0.561 10 0 FCAEHM CN(C)CC[C@@](C)(O)CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000420019939 489882608 /nfs/dbraw/zinc/88/26/08/489882608.db2.gz RRLFYQDRARQDLL-MRXNPFEDSA-N -1 3 373.475 0.075 10 0 FCAEHM COC(=O)[C@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CCO1 ZINC000377533810 489917067 /nfs/dbraw/zinc/91/70/67/489917067.db2.gz MOQQTPSOOVCEOY-UKRRQHHQSA-N -1 3 362.382 0.397 10 0 FCAEHM COC(=O)[C@@H](C[C@@H]1CCCc2ccccc21)NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000461743978 489932974 /nfs/dbraw/zinc/93/29/74/489932974.db2.gz BFYUYKFHXMRKEM-AEGPPILISA-N -1 3 373.409 0.753 10 0 FCAEHM CCOC(=O)c1ccccc1NC(=O)CN1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000434795904 489957702 /nfs/dbraw/zinc/95/77/02/489957702.db2.gz SGMQDPZBOKJYGF-SFHVURJKSA-N -1 3 374.397 0.476 10 0 FCAEHM COc1ccccc1[C@@H](C)N(C)C(=O)CN1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000434799700 489957868 /nfs/dbraw/zinc/95/78/68/489957868.db2.gz VMFWNHVLKBCMPZ-BFUOFWGJSA-N -1 3 374.441 0.889 10 0 FCAEHM COc1cc(S(N)(=O)=O)ccc1[N-]S(=O)(=O)N1CCC[C@H](C)C1 ZINC000477396491 489962219 /nfs/dbraw/zinc/96/22/19/489962219.db2.gz ALFKOSFJNDIVNC-JTQLQIEISA-N -1 3 363.461 0.731 10 0 FCAEHM O=C(Cc1ccc(Br)cc1[O-])NCC(=O)N1CCOCC1 ZINC000477441930 489965478 /nfs/dbraw/zinc/96/54/78/489965478.db2.gz ZBFPYFIIDXRGFU-UHFFFAOYSA-N -1 3 357.204 0.672 10 0 FCAEHM COC[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])C(=O)OC ZINC000436631960 490009754 /nfs/dbraw/zinc/00/97/54/490009754.db2.gz VFCSXULJVINAQD-CHWSQXEVSA-N -1 3 350.371 0.301 10 0 FCAEHM CCCN1C[C@@H](C[N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)CC1=O ZINC000420701148 490010501 /nfs/dbraw/zinc/01/05/01/490010501.db2.gz DLEZIZFBWHUTOK-GFCCVEGCSA-N -1 3 374.484 0.627 10 0 FCAEHM CN(C)c1nc(C(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)cc(=O)[n-]1 ZINC000436727470 490010912 /nfs/dbraw/zinc/01/09/12/490010912.db2.gz ZXALZPIWNYSTJT-UHFFFAOYSA-N -1 3 371.397 0.552 10 0 FCAEHM CC(C)[C@@H](CNC(=O)c1cc(=O)[n-]c(N(C)C)n1)N1CCN(C)CC1 ZINC000463456114 490018479 /nfs/dbraw/zinc/01/84/79/490018479.db2.gz YSLOCLXJLGVNHC-CQSZACIVSA-N -1 3 350.467 0.250 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NC[C@](C)(O)CO)cc1OC ZINC000478907846 490052575 /nfs/dbraw/zinc/05/25/75/490052575.db2.gz MZRRYHKVVHJKNU-AWEZNQCLSA-N -1 3 361.420 0.322 10 0 FCAEHM COC[C@@](C)(NC(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1)C(F)(F)F ZINC000464511287 490058787 /nfs/dbraw/zinc/05/87/87/490058787.db2.gz YSTFWQAECUMHDW-LLVKDONJSA-N -1 3 372.369 0.090 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]C[C@H](Cc2ccc(O)cc2)C(=O)OC)c1 ZINC000443302807 490068443 /nfs/dbraw/zinc/06/84/43/490068443.db2.gz PZVGNPLQMOXBPE-ZDUSSCGKSA-N -1 3 367.427 0.919 10 0 FCAEHM COC[C@@](C)([N-]S(=O)(=O)c1cccc(-n2cnnn2)c1)C(F)(F)F ZINC000479133989 490069167 /nfs/dbraw/zinc/06/91/67/490069167.db2.gz MTIYASJWSLFYQC-LLVKDONJSA-N -1 3 365.337 0.908 10 0 FCAEHM CCO[C@H]1C[C@@]([N-]S(=O)(=O)c2cn(CC)cn2)(C(=O)OC)C1(C)C ZINC000444281081 490081480 /nfs/dbraw/zinc/08/14/80/490081480.db2.gz ZPNOIUMOWPKRCS-XHDPSFHLSA-N -1 3 359.448 0.928 10 0 FCAEHM C[C@]1(c2ccc(C(=O)NCc3noc(C4CC4)n3)cc2)NC(=O)[N-]C1=O ZINC000495727397 490089561 /nfs/dbraw/zinc/08/95/61/490089561.db2.gz JXZJPVHOLCLPCZ-QGZVFWFLSA-N -1 3 355.354 0.932 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1C[C@H](CO)C[C@H](C)C1 ZINC000421940526 490117064 /nfs/dbraw/zinc/11/70/64/490117064.db2.gz PVPWXMFWHABVIZ-RWMBFGLXSA-N -1 3 358.435 0.969 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(N)=O)C2)cc1F ZINC000445048211 490122575 /nfs/dbraw/zinc/12/25/75/490122575.db2.gz LFPNPSSZQWBRDK-NXEZZACHSA-N -1 3 358.391 0.935 10 0 FCAEHM C[C@@]1(c2ccc(C(=O)N3CCCC[C@H]3CC(N)=O)cc2)NC(=O)[N-]C1=O ZINC000497298044 490143145 /nfs/dbraw/zinc/14/31/45/490143145.db2.gz VSOZHIVQFXNFLC-UGSOOPFHSA-N -1 3 358.398 0.611 10 0 FCAEHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCCN(C)C1 ZINC000392506415 490151255 /nfs/dbraw/zinc/15/12/55/490151255.db2.gz RFJOLZGUONGQIZ-SNVBAGLBSA-N -1 3 357.388 0.754 10 0 FCAEHM Cn1cccc(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2[O-])c1=O ZINC000520571356 490164251 /nfs/dbraw/zinc/16/42/51/490164251.db2.gz PWQXLVJIPSFUDJ-UHFFFAOYSA-N -1 3 363.395 0.883 10 0 FCAEHM C[C@@H]1CC[C@@H](O)CN1C(=O)NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000422148736 490191358 /nfs/dbraw/zinc/19/13/58/490191358.db2.gz BRLKFZLSAUFWHV-YRILPIOLSA-N -1 3 360.414 0.796 10 0 FCAEHM O=C(N[C@H]1CCOC2(CCSCC2)C1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000546138572 490194355 /nfs/dbraw/zinc/19/43/55/490194355.db2.gz UGBJBDZKGMPLOF-NWDGAFQWSA-N -1 3 368.459 0.377 10 0 FCAEHM COC(=O)CN(Cc1ccc(F)c(F)c1)C(=O)CN1CC(=O)[N-]C1=O ZINC000507323968 490199635 /nfs/dbraw/zinc/19/96/35/490199635.db2.gz GFXSXEXMSILVDL-UHFFFAOYSA-N -1 3 355.297 0.018 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H]1CCN2CCCC[C@@H]12 ZINC000408061653 490234877 /nfs/dbraw/zinc/23/48/77/490234877.db2.gz KXSVQCONBWUIOL-STQMWFEESA-N -1 3 358.485 0.995 10 0 FCAEHM C[C@H]1CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)C[C@@H]1O ZINC000408091992 490246700 /nfs/dbraw/zinc/24/67/00/490246700.db2.gz WNGJGHPOUDGYSX-ZANVPECISA-N -1 3 366.436 0.589 10 0 FCAEHM O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000447749206 490264318 /nfs/dbraw/zinc/26/43/18/490264318.db2.gz ZRMROMYGACNVMA-SFHVURJKSA-N -1 3 371.397 0.792 10 0 FCAEHM COCCCOc1ccc(C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cn1 ZINC000447747283 490264618 /nfs/dbraw/zinc/26/46/18/490264618.db2.gz TWTASTAKPPXLMG-KRWDZBQOSA-N -1 3 362.386 0.311 10 0 FCAEHM O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000447749203 490264765 /nfs/dbraw/zinc/26/47/65/490264765.db2.gz ZRMROMYGACNVMA-GOSISDBHSA-N -1 3 371.397 0.792 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCCCC[C@@H]2C(N)=O)c(C)o1 ZINC000467207244 490268103 /nfs/dbraw/zinc/26/81/03/490268103.db2.gz OAEPWIDNBPTETC-JQWIXIFHSA-N -1 3 357.432 0.660 10 0 FCAEHM O=C1CN(Cc2nc(-c3ccc(CN4CCCC4=O)cc3)no2)C(=O)[N-]1 ZINC000547142282 490268909 /nfs/dbraw/zinc/26/89/09/490268909.db2.gz UXBLQEOOZVARKE-UHFFFAOYSA-N -1 3 355.354 0.911 10 0 FCAEHM COC(=O)c1nscc1S(=O)(=O)[N-][C@H](CO)C[C@@H](O)C(C)(C)C ZINC000556406132 491314113 /nfs/dbraw/zinc/31/41/13/491314113.db2.gz GICATFQPHYGEGI-WCBMZHEXSA-N -1 3 366.461 0.366 10 0 FCAEHM CN1CCO[C@H]2CN(C(=O)c3ccc(F)c([N-]S(C)(=O)=O)c3)C[C@@H]21 ZINC000408294291 490298680 /nfs/dbraw/zinc/29/86/80/490298680.db2.gz LOAYYWUURJUMNO-KBPBESRZSA-N -1 3 357.407 0.352 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@]1(CCO)CCOC1 ZINC000534006182 490309413 /nfs/dbraw/zinc/30/94/13/490309413.db2.gz LPUNLLGZKVIGBS-AWEZNQCLSA-N -1 3 363.457 0.158 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)C3(C(=O)NC4CC4)CCC3)cc2n(C)c1=O ZINC000564633609 491317587 /nfs/dbraw/zinc/31/75/87/491317587.db2.gz RLOSOKCEJXHQHV-UHFFFAOYSA-N -1 3 358.398 0.970 10 0 FCAEHM CCOC(=O)[C@@H](Cc1cccc(Cl)c1)NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000467681965 490328944 /nfs/dbraw/zinc/32/89/44/490328944.db2.gz LIWCSQCLBHQFIK-NWDGAFQWSA-N -1 3 367.789 0.529 10 0 FCAEHM Cc1ccc(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c([O-])c1 ZINC000408410776 490329687 /nfs/dbraw/zinc/32/96/87/490329687.db2.gz YUMSFYWDMCJLIG-UHFFFAOYSA-N -1 3 369.443 0.035 10 0 FCAEHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)n[nH]1 ZINC000534243144 490334677 /nfs/dbraw/zinc/33/46/77/490334677.db2.gz SGZYMSLURHLUJB-VIFPVBQESA-N -1 3 358.445 0.810 10 0 FCAEHM Cc1ccc([C@@H](Cn2ccnc2)NC(=O)C[C@@H]2NC(=O)[N-]C2=O)c(C)c1 ZINC000534279859 490342365 /nfs/dbraw/zinc/34/23/65/490342365.db2.gz CDARINLAGUAZPP-LSDHHAIUSA-N -1 3 355.398 0.956 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]CC(=O)NCc2ccco2)s1 ZINC000534521415 490373676 /nfs/dbraw/zinc/37/36/76/490373676.db2.gz DFFWDVVURCDZGV-UHFFFAOYSA-N -1 3 358.397 0.722 10 0 FCAEHM Cn1cc(-c2nc(C(=O)Nc3[n-]nnc3C(=O)NC3CC3)cs2)cn1 ZINC000411102183 490388404 /nfs/dbraw/zinc/38/84/04/490388404.db2.gz BDALEXRZWKHJJN-UHFFFAOYSA-N -1 3 358.387 0.806 10 0 FCAEHM Cn1cc(-c2nc(C(=O)Nc3nn[n-]c3C(=O)NC3CC3)cs2)cn1 ZINC000411102183 490388410 /nfs/dbraw/zinc/38/84/10/490388410.db2.gz BDALEXRZWKHJJN-UHFFFAOYSA-N -1 3 358.387 0.806 10 0 FCAEHM Cn1cc(-c2nc(C(=O)Nc3n[n-]nc3C(=O)NC3CC3)cs2)cn1 ZINC000411102183 490388418 /nfs/dbraw/zinc/38/84/18/490388418.db2.gz BDALEXRZWKHJJN-UHFFFAOYSA-N -1 3 358.387 0.806 10 0 FCAEHM O=C(NC1CC1)c1nn[n-]c1NC(=O)c1ccnc(N2CCCCC2)n1 ZINC000411105797 490389969 /nfs/dbraw/zinc/38/99/69/490389969.db2.gz YKPOQRPEUMQZMY-UHFFFAOYSA-N -1 3 356.390 0.730 10 0 FCAEHM O=C(NC1CC1)c1[n-]nnc1NC(=O)c1ccnc(N2CCCCC2)n1 ZINC000411105797 490389975 /nfs/dbraw/zinc/38/99/75/490389975.db2.gz YKPOQRPEUMQZMY-UHFFFAOYSA-N -1 3 356.390 0.730 10 0 FCAEHM O=C(NC1CC1)c1n[n-]nc1NC(=O)c1ccnc(N2CCCCC2)n1 ZINC000411105797 490389981 /nfs/dbraw/zinc/38/99/81/490389981.db2.gz YKPOQRPEUMQZMY-UHFFFAOYSA-N -1 3 356.390 0.730 10 0 FCAEHM COC(=O)c1cc(C(=O)Nc2ccc3c(c2)CN(CC(N)=O)CC3)c[n-]1 ZINC000509224878 490404928 /nfs/dbraw/zinc/40/49/28/490404928.db2.gz JSEYSZRDLVNOOB-UHFFFAOYSA-N -1 3 356.382 0.897 10 0 FCAEHM COc1c(C)cc(C)cc1S(=O)(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000509255572 490408382 /nfs/dbraw/zinc/40/83/82/490408382.db2.gz OCILBYXMTUVDDJ-INIZCTEOSA-N -1 3 367.427 0.675 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ccc(NC(=O)CN3CC(=O)[N-]C3=O)cc2)C[C@@H](C)O1 ZINC000522936408 490421474 /nfs/dbraw/zinc/42/14/74/490421474.db2.gz AQAYFMSXPBEQAI-VXGBXAGGSA-N -1 3 374.397 0.426 10 0 FCAEHM Cn1c(=O)n2c(c1C(=O)NCCCNC(=O)c1cccc([O-])c1)CCCC2 ZINC000449836497 490430704 /nfs/dbraw/zinc/43/07/04/490430704.db2.gz UCGGVDIBQVPXKH-UHFFFAOYSA-N -1 3 372.425 0.779 10 0 FCAEHM O=C(NC1=NCC(=O)N1)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000523118794 490443282 /nfs/dbraw/zinc/44/32/82/490443282.db2.gz UTWPAQVKPJYZGZ-UHFFFAOYSA-N -1 3 368.396 0.035 10 0 FCAEHM C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)C(=O)[N-]c1nccn1-c1ccccc1 ZINC000411383511 490445292 /nfs/dbraw/zinc/44/52/92/490445292.db2.gz GKRKSERGOHPMLA-OLZOCXBDSA-N -1 3 355.398 0.923 10 0 FCAEHM C[C@H]1CC[C@H](C(N)=O)CN1C(=O)C(=O)[N-]c1nccn1-c1ccccc1 ZINC000411383516 490445379 /nfs/dbraw/zinc/44/53/79/490445379.db2.gz GKRKSERGOHPMLA-STQMWFEESA-N -1 3 355.398 0.923 10 0 FCAEHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)[C@H]1CC12CCS(=O)(=O)CC2 ZINC000548256897 490451674 /nfs/dbraw/zinc/45/16/74/490451674.db2.gz DHLBIMHTECJFQA-CYBMUJFWSA-N -1 3 361.427 0.944 10 0 FCAEHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)[C@H]1CC12CCS(=O)(=O)CC2 ZINC000548256897 490451680 /nfs/dbraw/zinc/45/16/80/490451680.db2.gz DHLBIMHTECJFQA-CYBMUJFWSA-N -1 3 361.427 0.944 10 0 FCAEHM COC(=O)c1nscc1S(=O)(=O)[N-][C@H](C)C1(S(C)(=O)=O)CC1 ZINC000510559835 490526091 /nfs/dbraw/zinc/52/60/91/490526091.db2.gz PCUFHXMDRJLVBN-SSDOTTSWSA-N -1 3 368.458 0.174 10 0 FCAEHM CS(=O)(=O)c1ccc(F)c([N-]C(=O)c2ccnc(S(C)(=O)=O)n2)c1 ZINC000485751580 490556381 /nfs/dbraw/zinc/55/63/81/490556381.db2.gz UUIQUOIYFRMGAT-UHFFFAOYSA-N -1 3 373.387 0.675 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@H](OC(F)F)C1 ZINC000548975750 490557951 /nfs/dbraw/zinc/55/79/51/490557951.db2.gz FQSVCUCDRBLTTE-VIFPVBQESA-N -1 3 370.399 0.597 10 0 FCAEHM Cc1cnc(N)c(S(=O)(=O)NCCCNC(=O)c2cccc([O-])c2)c1 ZINC000500946006 490563083 /nfs/dbraw/zinc/56/30/83/490563083.db2.gz PLJXSCYBJGNAIF-UHFFFAOYSA-N -1 3 364.427 0.776 10 0 FCAEHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H]2CCC(=O)N(C)C2)c1 ZINC000485844979 490563372 /nfs/dbraw/zinc/56/33/72/490563372.db2.gz YIROPHPVIYZJMI-GFCCVEGCSA-N -1 3 358.391 0.902 10 0 FCAEHM CCOC(=O)C[C@@H](C)C[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000536327117 490567700 /nfs/dbraw/zinc/56/77/00/490567700.db2.gz APCRFPGHDYQEJB-LLVKDONJSA-N -1 3 363.457 0.958 10 0 FCAEHM COC(=O)[C@]1([N-]S(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)CCOC1 ZINC000501024119 490569491 /nfs/dbraw/zinc/56/94/91/490569491.db2.gz NRHIDMZKVVBJMW-ZDUSSCGKSA-N -1 3 374.806 0.302 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cncc(C(=O)OC)c2)c(C)o1 ZINC000511262337 490575122 /nfs/dbraw/zinc/57/51/22/490575122.db2.gz SGEVHUZESSFYHP-UHFFFAOYSA-N -1 3 353.356 0.930 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)c1 ZINC000511329959 490581454 /nfs/dbraw/zinc/58/14/54/490581454.db2.gz WYTISUAIYKVBKB-NEPJUHHUSA-N -1 3 364.493 0.289 10 0 FCAEHM CN(C)c1nc(C(=O)Nc2ccc(NS(C)(=O)=O)cc2)cc(=O)[n-]1 ZINC000549552112 490588694 /nfs/dbraw/zinc/58/86/94/490588694.db2.gz HBTQJSUSDQZSSG-UHFFFAOYSA-N -1 3 351.388 0.872 10 0 FCAEHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC000501461765 490605560 /nfs/dbraw/zinc/60/55/60/490605560.db2.gz NNUPWBNOYRWNIX-AOOOYVTPSA-N -1 3 354.384 0.408 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1ccc(C(N)=O)nc1 ZINC000501504308 490608943 /nfs/dbraw/zinc/60/89/43/490608943.db2.gz PMBOQHICARMVGZ-VIFPVBQESA-N -1 3 366.374 0.625 10 0 FCAEHM CC(=O)N1CCc2c1cccc2NC(=O)C(=O)NCc1ncccc1[O-] ZINC000525935712 490655659 /nfs/dbraw/zinc/65/56/59/490655659.db2.gz UBNDZKXXCFFXID-UHFFFAOYSA-N -1 3 354.366 0.951 10 0 FCAEHM O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)NCc1ncccc1[O-] ZINC000526941548 490685884 /nfs/dbraw/zinc/68/58/84/490685884.db2.gz GGMWFQGPCYAWAJ-UHFFFAOYSA-N -1 3 363.395 0.412 10 0 FCAEHM O=C1[N-]C(=O)N2CCN(C[C@H](O)COc3c(Cl)cccc3Cl)C[C@@H]12 ZINC000537609738 490685977 /nfs/dbraw/zinc/68/59/77/490685977.db2.gz ASOCZMQYKNPOSE-CABZTGNLSA-N -1 3 374.224 0.969 10 0 FCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000487333253 490704795 /nfs/dbraw/zinc/70/47/95/490704795.db2.gz FVIAFRGZOIWOQV-WDEREUQCSA-N -1 3 360.407 0.869 10 0 FCAEHM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000487415122 490711595 /nfs/dbraw/zinc/71/15/95/490711595.db2.gz VBSOTVHSNOUVLD-BDAKNGLRSA-N -1 3 364.370 0.699 10 0 FCAEHM CNC(=O)CCOC1CCN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)CC1 ZINC000487848733 490733028 /nfs/dbraw/zinc/73/30/28/490733028.db2.gz YEQIWXUOHZXAIY-UHFFFAOYSA-N -1 3 359.382 0.328 10 0 FCAEHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cnc2c(c1)NC(=O)CO2 ZINC000538875294 490755315 /nfs/dbraw/zinc/75/53/15/490755315.db2.gz ZNOXGJAGQAWAFA-UHFFFAOYSA-N -1 3 351.326 0.769 10 0 FCAEHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cnc2c(c1)NC(=O)CO2 ZINC000538875294 490755317 /nfs/dbraw/zinc/75/53/17/490755317.db2.gz ZNOXGJAGQAWAFA-UHFFFAOYSA-N -1 3 351.326 0.769 10 0 FCAEHM CCc1cc(=O)[n-]c(-c2ccc(N3CCO[C@@H](CNC(=O)NC)C3)nc2)n1 ZINC000528120995 490779283 /nfs/dbraw/zinc/77/92/83/490779283.db2.gz JKQOIXQBOSCHIX-AWEZNQCLSA-N -1 3 372.429 0.941 10 0 FCAEHM COc1cccc(-c2nc(C(=O)N3CCN4C(=O)[N-]C(=O)[C@@H]4C3)no2)c1 ZINC000539808226 490796659 /nfs/dbraw/zinc/79/66/59/490796659.db2.gz XEAJTXYNGMHUHU-NSHDSACASA-N -1 3 357.326 0.121 10 0 FCAEHM CCn1ncc(C[N-]S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n1 ZINC000528445613 490798257 /nfs/dbraw/zinc/79/82/57/490798257.db2.gz NRKRFMQULSWDSB-UHFFFAOYSA-N -1 3 373.460 0.027 10 0 FCAEHM COc1ccc(CN2CC[C@@H]2C[N-]S(=O)(=O)c2cn(C)cn2)cc1 ZINC000528500374 490805036 /nfs/dbraw/zinc/80/50/36/490805036.db2.gz IKPCNTSGQNELPF-CQSZACIVSA-N -1 3 350.444 0.982 10 0 FCAEHM COc1cc2c(cc1F)CC[C@H]2NC(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000515155852 490810693 /nfs/dbraw/zinc/81/06/93/490810693.db2.gz OASZYZIODOEQGQ-OLZOCXBDSA-N -1 3 362.361 0.767 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)CCCN3C(=O)CCC3=O)cc2n(C)c1=O ZINC000515263516 490815618 /nfs/dbraw/zinc/81/56/18/490815618.db2.gz JTKIWRKQHAXZJU-UHFFFAOYSA-N -1 3 360.370 0.450 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]CC(=O)N(C)CCc1ccccn1)C1CC1 ZINC000515349286 490820328 /nfs/dbraw/zinc/82/03/28/490820328.db2.gz DXYPJUITVDKZKT-HNNXBMFYSA-N -1 3 355.460 0.427 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)NC[C@H](O)[C@H]2CCCO2)ccc1F ZINC000529093409 490840555 /nfs/dbraw/zinc/84/05/55/490840555.db2.gz NFGFVSCWQJBHLT-NWDGAFQWSA-N -1 3 361.395 0.395 10 0 FCAEHM Cc1ccccc1C(=O)NCC(=O)N1CCC[C@@H]1C[C@@]1(C)NC(=O)[N-]C1=O ZINC000516202060 490856549 /nfs/dbraw/zinc/85/65/49/490856549.db2.gz KKPINWZPVSZDMR-BFUOFWGJSA-N -1 3 372.425 0.704 10 0 FCAEHM COCCc1cc(NC(=O)C[N-]S(=O)(=O)c2ccccc2F)n(C)n1 ZINC000516356434 490861594 /nfs/dbraw/zinc/86/15/94/490861594.db2.gz VQVUKMHMQITMGM-UHFFFAOYSA-N -1 3 370.406 0.665 10 0 FCAEHM CCOc1nc2cc(C(=O)N3CCO[C@H](CNC(=O)NC)C3)ccc2[n-]1 ZINC000529741491 490870752 /nfs/dbraw/zinc/87/07/52/490870752.db2.gz VGEUXYUMBMPFPQ-GFCCVEGCSA-N -1 3 361.402 0.732 10 0 FCAEHM CCOc1nc2ccc(C(=O)N3CCO[C@H](CNC(=O)NC)C3)cc2[n-]1 ZINC000529741491 490870753 /nfs/dbraw/zinc/87/07/53/490870753.db2.gz VGEUXYUMBMPFPQ-GFCCVEGCSA-N -1 3 361.402 0.732 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000541754909 490871124 /nfs/dbraw/zinc/87/11/24/490871124.db2.gz FBKPNXGOGKCXHU-LBPRGKRZSA-N -1 3 357.414 0.708 10 0 FCAEHM CNC(=O)NC[C@H]1CN(C(=O)c2cc(NC(C)=O)ccc2[O-])CCO1 ZINC000529745734 490871435 /nfs/dbraw/zinc/87/14/35/490871435.db2.gz ZZKPJHQCVMAZBI-LBPRGKRZSA-N -1 3 350.375 0.121 10 0 FCAEHM CC(=O)c1ccc(C(=O)NC[C@@]2(CO)COCC3(CCC3)N2C)cc1[O-] ZINC000529749538 490872095 /nfs/dbraw/zinc/87/20/95/490872095.db2.gz AJLMOYCYIUAHGD-LJQANCHMSA-N -1 3 362.426 0.940 10 0 FCAEHM COc1ccc([O-])c(C(=O)NC[C@@]2(CO)COCC3(CCC3)N2C)c1 ZINC000529754771 490873861 /nfs/dbraw/zinc/87/38/61/490873861.db2.gz VXCZHPPEMKVJQC-GOSISDBHSA-N -1 3 350.415 0.746 10 0 FCAEHM O=C(Nc1cccc(N2CCOCC2)c1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000541845177 490874896 /nfs/dbraw/zinc/87/48/96/490874896.db2.gz JSGFAZILUYKEBM-CQSZACIVSA-N -1 3 359.386 0.291 10 0 FCAEHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000529985663 490885282 /nfs/dbraw/zinc/88/52/82/490885282.db2.gz MESDOAYJTBAYSR-SDCKUUTBSA-N -1 3 360.208 0.640 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c(F)c1 ZINC000530482559 490908095 /nfs/dbraw/zinc/90/80/95/490908095.db2.gz RGGIBAIYEVLPTM-XWIASGKRSA-N -1 3 370.402 0.900 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCCCN1C(=O)CNC1=O ZINC000517456799 490909422 /nfs/dbraw/zinc/90/94/22/490909422.db2.gz QWZKAMYMEVZQGZ-UHFFFAOYSA-N -1 3 372.385 0.223 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@]2(C(=O)OC)CCOC2)c(F)c1 ZINC000530535685 490911692 /nfs/dbraw/zinc/91/16/92/490911692.db2.gz OIFXAKLAQOICLS-AWEZNQCLSA-N -1 3 361.347 0.223 10 0 FCAEHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(N)=O)C2)c1 ZINC000542977445 490917017 /nfs/dbraw/zinc/91/70/17/490917017.db2.gz GDNIAUWVDHELEH-SKDRFNHKSA-N -1 3 358.391 0.935 10 0 FCAEHM COc1cc(OC)c(S(=O)(=O)[N-][C@H]2CNCCC2(F)F)c(OC)c1 ZINC000518374529 490938287 /nfs/dbraw/zinc/93/82/87/490938287.db2.gz BFVYMBFDRURGTK-LBPRGKRZSA-N -1 3 366.386 0.988 10 0 FCAEHM O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)[C@H](O)C1CCOCC1 ZINC000531059388 490938663 /nfs/dbraw/zinc/93/86/63/490938663.db2.gz HZWCZXAINFXKGC-OAHLLOKOSA-N -1 3 372.418 0.992 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NC[C@H]1CCCS1(=O)=O ZINC000518461650 490942429 /nfs/dbraw/zinc/94/24/29/490942429.db2.gz AEDBWBZYQDKMSQ-SNVBAGLBSA-N -1 3 364.427 0.858 10 0 FCAEHM CN(CCC(=O)Nc1nnc([N-]S(C)(=O)=O)s1)c1ccncc1 ZINC000543716298 490943367 /nfs/dbraw/zinc/94/33/67/490943367.db2.gz JLQODURLPJSIFE-UHFFFAOYSA-N -1 3 356.433 0.770 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@H](CCO)c1ccccc1Br ZINC000543835540 490949222 /nfs/dbraw/zinc/94/92/22/490949222.db2.gz XHEBMXKBKDIKDQ-LLVKDONJSA-N -1 3 370.203 0.541 10 0 FCAEHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]CCCN2CCCC2=O)c1 ZINC000543893987 490950921 /nfs/dbraw/zinc/95/09/21/490950921.db2.gz HVIOUPDPYXJZAA-UHFFFAOYSA-N -1 3 358.391 0.903 10 0 FCAEHM COC(=O)c1ccc(C[N-]S(=O)(=O)c2ccn(C)n2)nc1C1CC1 ZINC000518970743 490957497 /nfs/dbraw/zinc/95/74/97/490957497.db2.gz NQYKVLSJLBYDMU-UHFFFAOYSA-N -1 3 350.400 0.958 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(N)=O)C2)s1 ZINC000531686645 490970765 /nfs/dbraw/zinc/97/07/65/490970765.db2.gz UWCPQYHUJDATKQ-GHMZBOCLSA-N -1 3 359.473 0.707 10 0 FCAEHM COc1ncccc1C[N-]S(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000532165242 490989220 /nfs/dbraw/zinc/98/92/20/490989220.db2.gz JBFRIMMBKKMHLT-UHFFFAOYSA-N -1 3 368.436 0.899 10 0 FCAEHM CC(=O)Nc1ccc(NC(=O)CN2CCC[C@@H]2c2nc(=N)n(C)[n-]2)cc1 ZINC000557335159 491368321 /nfs/dbraw/zinc/36/83/21/491368321.db2.gz PKUREZMGSGRGHI-CQSZACIVSA-N -1 3 357.418 0.962 10 0 FCAEHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)CC2(C(=O)OC)CC2)[C@H]1n1cccn1 ZINC000601422960 491917118 /nfs/dbraw/zinc/91/71/18/491917118.db2.gz CGRBUTYQMVRVHL-YNEHKIRRSA-N -1 3 357.432 0.474 10 0 FCAEHM COC(=O)[C@H](CF)[N-]S(=O)(=O)c1cnc2c(Cl)c(C)nn2c1 ZINC000553903205 491163097 /nfs/dbraw/zinc/16/30/97/491163097.db2.gz ZUIUNQLFIRKZSW-QMMMGPOBSA-N -1 3 350.759 0.481 10 0 FCAEHM COCC[C@H](COC)[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000569512000 491165592 /nfs/dbraw/zinc/16/55/92/491165592.db2.gz DBXXMKSQNKMBMG-LLVKDONJSA-N -1 3 350.462 0.714 10 0 FCAEHM Cn1cc([C@@H](CO)[N-]S(=O)(=O)c2ccc3c(c2)OC(F)(F)O3)cn1 ZINC000572479300 491372966 /nfs/dbraw/zinc/37/29/66/491372966.db2.gz QINBEFSLHSXFNK-SNVBAGLBSA-N -1 3 361.326 0.754 10 0 FCAEHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)CNC(=O)c1ccccn1 ZINC000673507865 493337442 /nfs/dbraw/zinc/33/74/42/493337442.db2.gz CYRITQPENPQEED-NEPJUHHUSA-N -1 3 371.397 0.692 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)Nc1cc(C(F)(F)F)n[nH]1 ZINC000572534596 491377283 /nfs/dbraw/zinc/37/72/83/491377283.db2.gz KXEVOUUZRHLWLW-UHFFFAOYSA-N -1 3 366.296 1.485 10 0 FCAEHM C[C@]1(c2cccc(C(=O)NC[C@H](CO)c3cccnc3)c2)NC(=O)[N-]C1=O ZINC000572554994 491378883 /nfs/dbraw/zinc/37/88/83/491378883.db2.gz NGHYGUUQAGKUEX-AUUYWEPGSA-N -1 3 368.393 0.642 10 0 FCAEHM O=S(=O)([N-]C[C@H](O)COc1ccc2c(c1)OCO2)c1cscn1 ZINC000565477542 491378942 /nfs/dbraw/zinc/37/89/42/491378942.db2.gz MQDUCDPEPCJASQ-VIFPVBQESA-N -1 3 358.397 0.590 10 0 FCAEHM Cc1nc(C)c(CC(=O)NC[C@@H]2CCCCN2S(C)(=O)=O)c(=O)[n-]1 ZINC000557685078 491391149 /nfs/dbraw/zinc/39/11/49/491391149.db2.gz QNJSAVVTFCKZFO-LBPRGKRZSA-N -1 3 356.448 0.272 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@@H]1CCCN(CC(F)(F)F)C1=O)C1CC1 ZINC000565773032 491398538 /nfs/dbraw/zinc/39/85/38/491398538.db2.gz KNKVAXLOMRWVSC-GHMZBOCLSA-N -1 3 358.382 0.884 10 0 FCAEHM COC(=O)[C@H](C[N-]S(=O)(=O)c1ccn(C)n1)Cc1cccc(F)c1 ZINC000566161219 491421634 /nfs/dbraw/zinc/42/16/34/491421634.db2.gz JKPKOAGVDYJDNR-LBPRGKRZSA-N -1 3 355.391 0.869 10 0 FCAEHM O=C(CN1CCN(Cc2ccccc2)CC1)N1CCc2c(=O)[n-]cnc2C1 ZINC000558250577 491422957 /nfs/dbraw/zinc/42/29/57/491422957.db2.gz WZZVBECCQHJDNG-UHFFFAOYSA-N -1 3 367.453 0.885 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]c1ccc([C@@]2(C)NC(=O)NC2=O)cc1)C1CC1 ZINC000566211679 491426252 /nfs/dbraw/zinc/42/62/52/491426252.db2.gz PUDJDWCVNVLMIE-CZUORRHYSA-N -1 3 367.427 0.908 10 0 FCAEHM CCOC(=O)[C@H]1CCCN(S(=O)(=O)[N-][C@@H]2CNCCC2(F)F)C1 ZINC000566224200 491427152 /nfs/dbraw/zinc/42/71/52/491427152.db2.gz HQMRDBQLVHCHMI-WDEREUQCSA-N -1 3 355.407 0.093 10 0 FCAEHM COc1nn(C)cc1NC(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C1CC1 ZINC000558714653 491442929 /nfs/dbraw/zinc/44/29/29/491442929.db2.gz PHMMQCUVPQGHQF-UHFFFAOYSA-N -1 3 356.342 0.826 10 0 FCAEHM COC[C@](C)(O)CC[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000566490583 491447619 /nfs/dbraw/zinc/44/76/19/491447619.db2.gz KIHMQQGXPZSUFQ-CYBMUJFWSA-N -1 3 351.446 0.156 10 0 FCAEHM CN(C)c1nc(C(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)cc(=O)[n-]1 ZINC000558920519 491448616 /nfs/dbraw/zinc/44/86/16/491448616.db2.gz QONKIUAXODKFDV-FZMZJTMJSA-N -1 3 350.419 0.546 10 0 FCAEHM C[C@H]1CN(C(=O)c2cc(=O)[n-]c(N(C)C)n2)CC[C@H]1N1CCN(C)CC1 ZINC000558985015 491450436 /nfs/dbraw/zinc/45/04/36/491450436.db2.gz MRVHECYMUJFOOB-DZGCQCFKSA-N -1 3 362.478 0.346 10 0 FCAEHM Cc1nc(NC(=O)c2cc(=O)[n-]c(N(C)C)n2)sc1SCC(N)=O ZINC000558977145 491450446 /nfs/dbraw/zinc/45/04/46/491450446.db2.gz AJYHTZGLKPMGKY-UHFFFAOYSA-N -1 3 368.444 0.843 10 0 FCAEHM COC(=O)COc1cccc(CNC(=O)c2cc(=O)[n-]c(N(C)C)n2)c1 ZINC000559019608 491452106 /nfs/dbraw/zinc/45/21/06/491452106.db2.gz KFCJTBHCQPUBFR-UHFFFAOYSA-N -1 3 360.370 0.730 10 0 FCAEHM Cc1ncc(NC(=O)C[N-]S(=O)(=O)CCOC(C)C)c(C2CC2)n1 ZINC000573756251 491452827 /nfs/dbraw/zinc/45/28/27/491452827.db2.gz QIIFLCCFWLYOHW-UHFFFAOYSA-N -1 3 356.448 0.945 10 0 FCAEHM CCO[C@@H]1C[C@@H](NC(=O)CNC(=O)c2ccc([O-])cc2)[C@H]1n1cccn1 ZINC000567073658 491484345 /nfs/dbraw/zinc/48/43/45/491484345.db2.gz XAXKJXXQKGQRRD-BFYDXBDKSA-N -1 3 358.398 0.853 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)C[C@@H](NC(N)=O)c2ccccc2)nc1=N ZINC000574284766 491486546 /nfs/dbraw/zinc/48/65/46/491486546.db2.gz WFNKUGNCLRGFMR-OLZOCXBDSA-N -1 3 357.418 0.691 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-][C@@H]1CCCN(Cc2ccccn2)C1=O)C1CC1 ZINC000567608925 491517860 /nfs/dbraw/zinc/51/78/60/491517860.db2.gz UTSNQXGTRFRUFY-CVEARBPZSA-N -1 3 367.471 0.917 10 0 FCAEHM C[C@@H]1CCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)C[C@H]1C(=O)[O-] ZINC000574916717 491527575 /nfs/dbraw/zinc/52/75/75/491527575.db2.gz CUSVZHWVQRZFOX-HSMVNMDESA-N -1 3 357.476 0.109 10 0 FCAEHM COCC1(CCNC(=O)N2CCC[C@H]2C[C@@]2(C)NC(=O)[N-]C2=O)CC1 ZINC000567765928 491528124 /nfs/dbraw/zinc/52/81/24/491528124.db2.gz DQXQUOHQNWDDNJ-BLLLJJGKSA-N -1 3 352.435 0.965 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000560344774 491533026 /nfs/dbraw/zinc/53/30/26/491533026.db2.gz KXSWTESJSRTITA-ZETCQYMHSA-N -1 3 368.191 0.108 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000560344774 491533029 /nfs/dbraw/zinc/53/30/29/491533029.db2.gz KXSWTESJSRTITA-ZETCQYMHSA-N -1 3 368.191 0.108 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1cnc2c(Br)cccn12 ZINC000560556791 491544354 /nfs/dbraw/zinc/54/43/54/491544354.db2.gz DOYUGDJWSKATDN-UHFFFAOYSA-N -1 3 352.148 0.587 10 0 FCAEHM CC(C)N(C[C@H]1CCC(=O)N1)C(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000560872948 491560889 /nfs/dbraw/zinc/56/08/89/491560889.db2.gz ROZBWFALAKXRHI-NWDGAFQWSA-N -1 3 373.500 0.931 10 0 FCAEHM COC(=O)c1cc(F)c(C)c(S(=O)(=O)[N-][C@@H](CF)C(=O)OC)c1 ZINC000568309293 491569031 /nfs/dbraw/zinc/56/90/31/491569031.db2.gz SDNRAJUFDVHCKQ-JTQLQIEISA-N -1 3 351.327 0.710 10 0 FCAEHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]C[C@@H]3CCCCN3CCO)cn21 ZINC000561104337 491574994 /nfs/dbraw/zinc/57/49/94/491574994.db2.gz OHMIVVFWEGCTTG-KGLIPLIRSA-N -1 3 356.492 0.906 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]c1ccc(C[C@H]2NC(=O)NC2=O)cc1)C1CC1 ZINC000576280171 491601135 /nfs/dbraw/zinc/60/11/35/491601135.db2.gz VQTOMECPOLZIOY-ZIAGYGMSSA-N -1 3 367.427 0.604 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](c2ccccc2F)[C@H](C)O)cn1 ZINC000576353902 491607486 /nfs/dbraw/zinc/60/74/86/491607486.db2.gz JVOVAYSXPDOSAL-BONVTDFDSA-N -1 3 367.402 0.981 10 0 FCAEHM CCN1CN(C(=O)CC[N-]S(=O)(=O)c2ccc(F)c(F)c2)CC1=O ZINC000569062985 491630726 /nfs/dbraw/zinc/63/07/26/491630726.db2.gz QSDZJKNCVNBXML-UHFFFAOYSA-N -1 3 361.370 0.281 10 0 FCAEHM O=C(Cc1ccn(-c2ccc(F)cc2)n1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000577028056 491665555 /nfs/dbraw/zinc/66/55/55/491665555.db2.gz YPZZPZYHXSEFAT-SFHVURJKSA-N -1 3 371.372 0.755 10 0 FCAEHM O=S(=O)([N-]CCN1CCC(O)CC1)c1cnccc1C(F)(F)F ZINC000578669479 491682091 /nfs/dbraw/zinc/68/20/91/491682091.db2.gz NEPDWYIOABTILV-UHFFFAOYSA-N -1 3 353.366 0.835 10 0 FCAEHM O=S(=O)([N-]CCCN1CCCS1(=O)=O)c1ccc(F)c(F)c1 ZINC000585808984 491730223 /nfs/dbraw/zinc/73/02/23/491730223.db2.gz CZQSAQOMIYQFJE-UHFFFAOYSA-N -1 3 354.400 0.669 10 0 FCAEHM COc1ccc(S(=O)(=O)NCC[C@H](C)F)cc1[C@@]1(C)NC(=O)[N-]C1=O ZINC000580585867 491737396 /nfs/dbraw/zinc/73/73/96/491737396.db2.gz XNZNMIKAIAQCPY-BJOHPYRUSA-N -1 3 373.406 0.776 10 0 FCAEHM C[C@H]1CCCc2nc(S(=O)(=O)[N-]Cc3nnnn3CC3CC3)cn21 ZINC000580631589 491739467 /nfs/dbraw/zinc/73/94/67/491739467.db2.gz LRXMHAHMQJHICX-JTQLQIEISA-N -1 3 351.436 0.655 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CC[C@H](OC(F)F)C1 ZINC000580656213 491740431 /nfs/dbraw/zinc/74/04/31/491740431.db2.gz QGYOOBBEARLTOW-VIFPVBQESA-N -1 3 353.347 0.410 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]CC(C)(CO)CO)c(Cl)c1 ZINC000590588808 491780118 /nfs/dbraw/zinc/78/01/18/491780118.db2.gz KNPPILMDYFEZLK-UHFFFAOYSA-N -1 3 351.808 0.396 10 0 FCAEHM COCCN(C)S(=O)(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000580836548 491747905 /nfs/dbraw/zinc/74/79/05/491747905.db2.gz DPAKHRVUJHYYDP-UHFFFAOYSA-N -1 3 352.416 0.980 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC000589229309 491758000 /nfs/dbraw/zinc/75/80/00/491758000.db2.gz IOOLTSGIAZLYBK-UHFFFAOYSA-N -1 3 367.383 0.926 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]CCC1CS(=O)(=O)C1 ZINC000589229802 491758150 /nfs/dbraw/zinc/75/81/50/491758150.db2.gz DEDZMJXNBYLAFV-UHFFFAOYSA-N -1 3 365.429 0.396 10 0 FCAEHM CS(=O)(=O)N1CC[C@@H]([N-]S(=O)(=O)c2cnccc2C(F)(F)F)C1 ZINC000581196121 491763410 /nfs/dbraw/zinc/76/34/10/491763410.db2.gz UZTWQFZZXBCCSI-MRVPVSSYSA-N -1 3 373.378 0.413 10 0 FCAEHM O=C(CNC(=O)c1ccc([O-])cc1)N1CCC(C(=O)N2CCCC2)CC1 ZINC000589684168 491764758 /nfs/dbraw/zinc/76/47/58/491764758.db2.gz FUFFMGRFNHWYDS-UHFFFAOYSA-N -1 3 359.426 0.983 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCOC[C@H]2CC2CCC2)c1 ZINC000581332736 491769152 /nfs/dbraw/zinc/76/91/52/491769152.db2.gz YEMNHGICMCZAOL-CYBMUJFWSA-N -1 3 356.448 0.116 10 0 FCAEHM COc1ccc(S(=O)(=O)NC2CC2)cc1[N-]S(=O)(=O)N1CCC1 ZINC000581436037 491773173 /nfs/dbraw/zinc/77/31/73/491773173.db2.gz DYQTYHZHCZEHLR-UHFFFAOYSA-N -1 3 361.445 0.498 10 0 FCAEHM CN(CCF)S(=O)(=O)c1cccc(S(=O)(=O)[N-]CC(F)F)c1 ZINC000582191761 491802119 /nfs/dbraw/zinc/80/21/19/491802119.db2.gz LELRVJWLELNXEI-UHFFFAOYSA-N -1 3 360.379 0.820 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NC[C@H](CO)[C@@H]1CCOC1 ZINC000582279409 491805220 /nfs/dbraw/zinc/80/52/20/491805220.db2.gz GEFFNPKAWTXPGR-VXGBXAGGSA-N -1 3 360.414 0.926 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-][C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c1 ZINC000673825932 493364884 /nfs/dbraw/zinc/36/48/84/493364884.db2.gz ROVABXSEIVSXNN-CMPLNLGQSA-N -1 3 352.420 0.109 10 0 FCAEHM COC(=O)[C@@](C)([N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C)C1CC1 ZINC000592033200 491828414 /nfs/dbraw/zinc/82/84/14/491828414.db2.gz ROLVRVYEVUWADG-HNNXBMFYSA-N -1 3 358.416 0.910 10 0 FCAEHM COC[C@](C)(CC(=O)OC)[N-]S(=O)(=O)C[C@@H](OC)C1CCOCC1 ZINC000592034633 491828421 /nfs/dbraw/zinc/82/84/21/491828421.db2.gz LCVXRBKSADQJJY-HIFRSBDPSA-N -1 3 367.464 0.316 10 0 FCAEHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]CCCc2ncn(C)n2)s1 ZINC000592069779 491830264 /nfs/dbraw/zinc/83/02/64/491830264.db2.gz SEKDMZDCOAMCLX-UHFFFAOYSA-N -1 3 374.444 0.583 10 0 FCAEHM COC(=O)[C@@](C)(CCF)[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F ZINC000594866519 491868217 /nfs/dbraw/zinc/86/82/17/491868217.db2.gz QUZOVOIIUPLIQE-CYBMUJFWSA-N -1 3 364.326 0.830 10 0 FCAEHM COC(=O)CCC(=O)Cn1cc(I)c(=O)[n-]c1=O ZINC000594900881 491871627 /nfs/dbraw/zinc/87/16/27/491871627.db2.gz OKXPJNGKADPIEA-UHFFFAOYSA-N -1 3 366.111 0.076 10 0 FCAEHM CNC(=O)[C@@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000600762586 491880842 /nfs/dbraw/zinc/88/08/42/491880842.db2.gz IAHADNDBHZPIMJ-LBPRGKRZSA-N -1 3 357.407 0.149 10 0 FCAEHM C[C@@H]1Cc2ccccc2N1C1CCN(C(=O)CN2CC(=O)[N-]C2=O)CC1 ZINC000600958143 491890406 /nfs/dbraw/zinc/89/04/06/491890406.db2.gz GZHICVPOMMABHZ-CYBMUJFWSA-N -1 3 356.426 0.980 10 0 FCAEHM O=C(CN1CCN(C2CC2)C1=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000612377825 491912992 /nfs/dbraw/zinc/91/29/92/491912992.db2.gz RUZSHTUCTFGUGV-UHFFFAOYSA-N -1 3 372.425 0.577 10 0 FCAEHM CC(C)(C)n1nnc(C(=O)NCC[N-]S(=O)(=O)c2cccs2)n1 ZINC000612738832 491947907 /nfs/dbraw/zinc/94/79/07/491947907.db2.gz PZKKABRPDYFRLC-UHFFFAOYSA-N -1 3 358.449 0.198 10 0 FCAEHM COC(=O)C12CCC(CC1)N2C(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000601829438 491951268 /nfs/dbraw/zinc/95/12/68/491951268.db2.gz NYDLPJUTATWFJU-UHFFFAOYSA-N -1 3 358.441 0.723 10 0 FCAEHM COc1cccc(S([O-])=CC(=O)N2CCC[C@@](O)(CN(C)C)C2)c1 ZINC000597586739 492049785 /nfs/dbraw/zinc/04/97/85/492049785.db2.gz PHMFIPKSUDZJMR-OSPHWJPCSA-N -1 3 354.472 0.718 10 0 FCAEHM O=S1(=O)[N-]C(CN2CCN([C@H]3CCC[C@H]3O)CC2)=Nc2ccccc21 ZINC000604386524 492059627 /nfs/dbraw/zinc/05/96/27/492059627.db2.gz RWMUBVFVIKLYHP-LSDHHAIUSA-N -1 3 364.471 0.540 10 0 FCAEHM CCOC(=O)[C@@H](CNC(=O)CC[C@H]1NC(=O)[N-]C1=O)Cc1ccccc1 ZINC000604471504 492061979 /nfs/dbraw/zinc/06/19/79/492061979.db2.gz ZWLPJZSMWMXCLR-ZIAGYGMSSA-N -1 3 361.398 0.513 10 0 FCAEHM C[C@@H]1CCCN(C(=O)CC[C@H]2NC(=O)[N-]C2=O)[C@@H]1C(=O)OC(C)(C)C ZINC000597798206 492067026 /nfs/dbraw/zinc/06/70/26/492067026.db2.gz QSQFMWHSLWZOIF-WZRBSPASSA-N -1 3 353.419 0.943 10 0 FCAEHM CCOC(=O)[C@H](NC(=O)CC[C@@H]1NC(=O)[N-]C1=O)C1CCCCCC1 ZINC000597824522 492068917 /nfs/dbraw/zinc/06/89/17/492068917.db2.gz NXBCSMPBIXLIRF-GXTWGEPZSA-N -1 3 353.419 0.993 10 0 FCAEHM CCOC(=O)[C@@H](NC(=O)CC[C@@H]1NC(=O)[N-]C1=O)C1CCCCCC1 ZINC000597824524 492068934 /nfs/dbraw/zinc/06/89/34/492068934.db2.gz NXBCSMPBIXLIRF-JSGCOSHPSA-N -1 3 353.419 0.993 10 0 FCAEHM COC(=O)C12CC(C1)CN2C(=O)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000598065414 492082550 /nfs/dbraw/zinc/08/25/50/492082550.db2.gz WAHXJJHJXMNNIC-UHFFFAOYSA-N -1 3 369.377 0.422 10 0 FCAEHM COC(=O)c1ccc2c(c1)[C@H](CNC(=O)CC[C@@H]1NC(=O)[N-]C1=O)CCC2 ZINC000598104060 492083361 /nfs/dbraw/zinc/08/33/61/492083361.db2.gz GUXMCDLQJUBSQE-ZFWWWQNUSA-N -1 3 373.409 0.998 10 0 FCAEHM CCn1cnnc1CCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000605180500 492085170 /nfs/dbraw/zinc/08/51/70/492085170.db2.gz SLQQHNIXLRHNGO-AWEZNQCLSA-N -1 3 357.414 0.967 10 0 FCAEHM COC(=O)[C@@H]1CCN(C(=O)CC[C@@H]2NC(=O)[N-]C2=O)[C@H]2CCCC[C@@H]12 ZINC000598165058 492087005 /nfs/dbraw/zinc/08/70/05/492087005.db2.gz BQOXBIFKTYDYMF-RNJOBUHISA-N -1 3 351.403 0.555 10 0 FCAEHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)N1CC(O)(CO)C1 ZINC000615432656 492090423 /nfs/dbraw/zinc/09/04/23/492090423.db2.gz IBINUJGKRZLPDD-KRWDZBQOSA-N -1 3 370.405 0.819 10 0 FCAEHM COC(=O)[C@@](C)(CCF)NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000598276694 492092233 /nfs/dbraw/zinc/09/22/33/492092233.db2.gz AUIPDIMZVHGRNU-QGZVFWFLSA-N -1 3 365.361 0.900 10 0 FCAEHM COC(=O)[C@](C)(CCF)NC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000598284819 492092986 /nfs/dbraw/zinc/09/29/86/492092986.db2.gz JVIXEGOSEGMNHX-IRXDYDNUSA-N -1 3 365.361 0.762 10 0 FCAEHM CC1(C)C(=O)NC(=O)N1CC(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000605424202 492094885 /nfs/dbraw/zinc/09/48/85/492094885.db2.gz HKGBOEBLYARFHD-UHFFFAOYSA-N -1 3 354.388 0.327 10 0 FCAEHM CC(C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1ccn(CC(=O)OC(C)(C)C)n1 ZINC000598545196 492104048 /nfs/dbraw/zinc/10/40/48/492104048.db2.gz FWGJANFZRCMHGJ-ZDUSSCGKSA-N -1 3 374.463 0.737 10 0 FCAEHM COC(=O)c1cccc2c1CCCN2Cc1cc(=O)n2nc(N)[n-]c2n1 ZINC000598593456 492106507 /nfs/dbraw/zinc/10/65/07/492106507.db2.gz BDFVTLLDBMOKJG-UHFFFAOYSA-N -1 3 354.370 0.570 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N2CCC23COC3)CCCC1 ZINC000615928302 492108358 /nfs/dbraw/zinc/10/83/58/492108358.db2.gz ZDRPFVHIIVXZEU-UHFFFAOYSA-N -1 3 369.443 0.884 10 0 FCAEHM COCCCS(=O)(=O)[N-]CC(=O)Nc1n[nH]c(C)c1Br ZINC000616007647 492114371 /nfs/dbraw/zinc/11/43/71/492114371.db2.gz WIXVAVHMXLSTOF-UHFFFAOYSA-N -1 3 369.241 0.375 10 0 FCAEHM NS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc([O-])c3ncccc23)C1 ZINC000616022296 492115281 /nfs/dbraw/zinc/11/52/81/492115281.db2.gz DQMOSQMPJANACH-GFCCVEGCSA-N -1 3 364.427 0.472 10 0 FCAEHM C[C@](CO)(NC(=O)CN1CC(=O)[N-]C1=O)c1cc(Cl)cc(Cl)c1 ZINC000616075332 492116078 /nfs/dbraw/zinc/11/60/78/492116078.db2.gz BJWSTPPNFFZHBG-CQSZACIVSA-N -1 3 360.197 0.869 10 0 FCAEHM COC(=O)C(C)(C)n1ccc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)n1 ZINC000598773125 492117522 /nfs/dbraw/zinc/11/75/22/492117522.db2.gz IVTNDDJFGABLNO-UHFFFAOYSA-N -1 3 361.402 1.475 10 0 FCAEHM CN1C[C@H](NC(=O)NCc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)CCC1=O ZINC000606666274 492126186 /nfs/dbraw/zinc/12/61/86/492126186.db2.gz MVBYTTMGHDIXHF-FZKQIMNGSA-N -1 3 373.413 0.161 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)N[C@@H]1CCNC(=O)CC1 ZINC000616363460 492128097 /nfs/dbraw/zinc/12/80/97/492128097.db2.gz UVVFCRQMIZINMN-NSHDSACASA-N -1 3 357.407 0.279 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)CNC(=O)c2ccccn2)s1 ZINC000606831228 492130549 /nfs/dbraw/zinc/13/05/49/492130549.db2.gz OCFCDMROBYINFU-UHFFFAOYSA-N -1 3 368.440 0.097 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]CCOCC(F)(F)F)on1 ZINC000599208749 492142321 /nfs/dbraw/zinc/14/23/21/492142321.db2.gz CICIOABVEKEOMK-UHFFFAOYSA-N -1 3 360.310 0.850 10 0 FCAEHM C[C@@](CO)(NC(=O)CN1CC(=O)[N-]C1=O)c1ccc(Br)cc1 ZINC000616832821 492145064 /nfs/dbraw/zinc/14/50/64/492145064.db2.gz WKZSBMPKGUKJJT-AWEZNQCLSA-N -1 3 370.203 0.325 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]C[C@]2(O)CCSC2)on1 ZINC000599249164 492148867 /nfs/dbraw/zinc/14/88/67/492148867.db2.gz SSVSPNVXFCALGJ-GFCCVEGCSA-N -1 3 350.418 0.139 10 0 FCAEHM CCCn1c(=O)[n-]c(=O)c2c(C(=O)N[C@H]3CCNC3=O)cc(C3CC3)nc21 ZINC000616968084 492150311 /nfs/dbraw/zinc/15/03/11/492150311.db2.gz PGPCBFMUYPEIBA-NSHDSACASA-N -1 3 371.397 0.403 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@H](C)[C@@H](C)C(=O)OCC)on1 ZINC000599275463 492152885 /nfs/dbraw/zinc/15/28/85/492152885.db2.gz RDJRWWUTQRONOB-NXEZZACHSA-N -1 3 362.404 0.858 10 0 FCAEHM CCOC(=O)[C@@](C)(O)C[N-]S(=O)(=O)C[C@H](OC)c1ccc(F)cc1 ZINC000599277318 492153241 /nfs/dbraw/zinc/15/32/41/492153241.db2.gz LSCUWRJPHIRROT-ZFWWWQNUSA-N -1 3 363.407 0.747 10 0 FCAEHM CCOC(=O)[C@](C)(O)C[N-]S(=O)(=O)C[C@H](OC)c1ccc(F)cc1 ZINC000599277315 492153431 /nfs/dbraw/zinc/15/34/31/492153431.db2.gz LSCUWRJPHIRROT-DZGCQCFKSA-N -1 3 363.407 0.747 10 0 FCAEHM COc1ccc(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)nc1 ZINC000607944841 492154055 /nfs/dbraw/zinc/15/40/55/492154055.db2.gz SLEAESJARNWQIX-UHFFFAOYSA-N -1 3 355.148 0.754 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]CC2(O)CC(OCC)C2)on1 ZINC000599286774 492154783 /nfs/dbraw/zinc/15/47/83/492154783.db2.gz MVWIAZWBDWNFDO-UHFFFAOYSA-N -1 3 362.404 0.201 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NCC(=O)Nc1ccc(Br)cc1 ZINC000599314894 492159080 /nfs/dbraw/zinc/15/90/80/492159080.db2.gz KTDQADLYOFSHOO-UHFFFAOYSA-N -1 3 369.175 0.056 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]CC[C@](C)(O)COC)on1 ZINC000599315739 492159182 /nfs/dbraw/zinc/15/91/82/492159182.db2.gz RUWLPDBVMIGSNS-ZDUSSCGKSA-N -1 3 350.393 0.058 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]C[C@H]2CCOC[C@@H]2OC)on1 ZINC000599317329 492159389 /nfs/dbraw/zinc/15/93/89/492159389.db2.gz UUDFKNMZXJOWPX-MFKMUULPSA-N -1 3 362.404 0.322 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)N2CC[C@@H](Cn3ccnn3)C2)c([O-])c1 ZINC000617258528 492161228 /nfs/dbraw/zinc/16/12/28/492161228.db2.gz KOLNIOCVKJHGDX-CQSZACIVSA-N -1 3 357.414 0.961 10 0 FCAEHM C[C@@]1(c2cccc(C(=O)N3CC[C@H](Cn4ccnn4)C3)c2)NC(=O)[N-]C1=O ZINC000617259591 492161609 /nfs/dbraw/zinc/16/16/09/492161609.db2.gz CLIHBFXIIZLLAL-SGTLLEGYSA-N -1 3 368.397 0.495 10 0 FCAEHM CS(=O)(=O)[N-]c1cc(C(=O)N2CC[C@H](Cn3ccnn3)C2)ccc1F ZINC000617262828 492161947 /nfs/dbraw/zinc/16/19/47/492161947.db2.gz JEEAKRPCWDEXMQ-NSHDSACASA-N -1 3 367.406 0.951 10 0 FCAEHM COC(=O)[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)c1cccnc1OCC(F)F ZINC000599354907 492163886 /nfs/dbraw/zinc/16/38/86/492163886.db2.gz YKDPWERASUEJOU-GZMMTYOYSA-N -1 3 366.342 0.334 10 0 FCAEHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](O)[C@H]1CCCO1 ZINC000599392352 492167182 /nfs/dbraw/zinc/16/71/82/492167182.db2.gz RKFCYTGRZFJCGO-NWDGAFQWSA-N -1 3 363.819 0.945 10 0 FCAEHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]C[C@@H](O)[C@H]1CCCO1 ZINC000599392287 492167186 /nfs/dbraw/zinc/16/71/86/492167186.db2.gz PWLITYYFKPZSRY-GHMZBOCLSA-N -1 3 363.819 0.945 10 0 FCAEHM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](O)[C@@H]2CCCO2)c(F)c1 ZINC000599392380 492167230 /nfs/dbraw/zinc/16/72/30/492167230.db2.gz SEMHBZANAPQNTG-OLZOCXBDSA-N -1 3 361.391 0.821 10 0 FCAEHM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)CC[N-]S(=O)(=O)c2cccs2)CC1=O ZINC000608219914 492168744 /nfs/dbraw/zinc/16/87/44/492168744.db2.gz YNMPOVPYGILPNB-WOPDTQHZSA-N -1 3 371.484 0.542 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2COCCN2C)c(Cl)c1 ZINC000599454264 492174844 /nfs/dbraw/zinc/17/48/44/492174844.db2.gz JOVSBEMXGURFGF-NSHDSACASA-N -1 3 362.835 0.736 10 0 FCAEHM COC(=O)[C@H](C)CS(=O)(=O)[N-][C@@H](C[C@@H]1CCCOC1)C(=O)OC ZINC000599458943 492175663 /nfs/dbraw/zinc/17/56/63/492175663.db2.gz AGKKGLMHXYLJOV-WOPDTQHZSA-N -1 3 351.421 0.073 10 0 FCAEHM Cn1ncc2c1nc(CN(CC(=O)N1CCCC1)C[C@H]1CCCO1)[n-]c2=O ZINC000608577052 492181141 /nfs/dbraw/zinc/18/11/41/492181141.db2.gz OXAVEXAKAFOPOL-CYBMUJFWSA-N -1 3 374.445 0.672 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CC[C@H](O)C(F)(F)C1 ZINC000617813124 492193404 /nfs/dbraw/zinc/19/34/04/492193404.db2.gz BEZDWMWSRDUXKJ-ZETCQYMHSA-N -1 3 374.818 0.908 10 0 FCAEHM COC(=O)[C@@H](CNC(=O)CC[C@H]1NC(=O)[N-]C1=O)Cc1cccc(F)c1 ZINC000609266102 492200920 /nfs/dbraw/zinc/20/09/20/492200920.db2.gz GEOLWXNTAGNQIN-DGCLKSJQSA-N -1 3 365.361 0.262 10 0 FCAEHM C[C@@]12COC[C@]1(C)CN(C(=O)C[N-]S(=O)(=O)c1ccccc1F)C2 ZINC000618023511 492208974 /nfs/dbraw/zinc/20/89/74/492208974.db2.gz ZFYSTTOHNOFCBP-IYBDPMFKSA-N -1 3 356.419 0.989 10 0 FCAEHM CC(C)[C@@H]([N-]S(=O)(=O)C1CC1)C(=O)Nc1ccc2c(n1)OCCO2 ZINC000618081430 492210415 /nfs/dbraw/zinc/21/04/15/492210415.db2.gz RSCXBHROSVPKTI-CYBMUJFWSA-N -1 3 355.416 0.898 10 0 FCAEHM C[C@H]1CC[C@H](NC(=O)C[N-]S(=O)(=O)c2cccs2)CS1(=O)=O ZINC000618315374 492223375 /nfs/dbraw/zinc/22/33/75/492223375.db2.gz SWXIYEQOKSTMDG-UWVGGRQHSA-N -1 3 366.486 0.108 10 0 FCAEHM C[C@]1(CNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)CC1(F)F ZINC000618610196 492232531 /nfs/dbraw/zinc/23/25/31/492232531.db2.gz DERINMXKAWDPGM-SNVBAGLBSA-N -1 3 352.135 0.873 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)NCC[C@]2(C)CC2(F)F)cn1C ZINC000618627457 492232650 /nfs/dbraw/zinc/23/26/50/492232650.db2.gz IAAYMXLBEQYVHH-CYBMUJFWSA-N -1 3 364.418 0.949 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1C[C@H]2COC[C@]2(C)C1 ZINC000618712541 492236221 /nfs/dbraw/zinc/23/62/21/492236221.db2.gz PPZACJZOPZQNAO-MKBNYLNASA-N -1 3 356.419 0.987 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1C[C@@H]2COC[C@]2(C)C1 ZINC000618712545 492236303 /nfs/dbraw/zinc/23/63/03/492236303.db2.gz PPZACJZOPZQNAO-OZVIIMIRSA-N -1 3 356.419 0.987 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@@H]1C[C@@H](O)C12CCC2 ZINC000619092313 492250143 /nfs/dbraw/zinc/25/01/43/492250143.db2.gz XMTLYYXTLBCDDJ-RKDXNWHRSA-N -1 3 358.192 0.131 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)NCc2c(C3CCC3)cnn2C)c1 ZINC000619243144 492255698 /nfs/dbraw/zinc/25/56/98/492255698.db2.gz DMGWRDDAUQVVAR-UHFFFAOYSA-N -1 3 366.447 0.016 10 0 FCAEHM COC(=O)[C@@]1(OC)CCN(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)C1 ZINC000600297935 492258046 /nfs/dbraw/zinc/25/80/46/492258046.db2.gz QTPKWCCFFMFCDL-OAHLLOKOSA-N -1 3 374.390 0.601 10 0 FCAEHM COC(=O)[C@@H](C)Oc1ccc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)cc1F ZINC000600331013 492261647 /nfs/dbraw/zinc/26/16/47/492261647.db2.gz IOSCUQCPIYFBQZ-XCBNKYQSSA-N -1 3 353.306 0.303 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)NCC2CCC(O)CC2)cn1C ZINC000619416798 492262179 /nfs/dbraw/zinc/26/21/79/492262179.db2.gz KNUQAVVPNNXNBF-UHFFFAOYSA-N -1 3 358.464 0.064 10 0 FCAEHM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-][C@H](C)C(C)(C)O)c1 ZINC000611020736 492275367 /nfs/dbraw/zinc/27/53/67/492275367.db2.gz HKJQTLLQNKSHDB-SECBINFHSA-N -1 3 359.400 0.698 10 0 FCAEHM C[C@H]1COC2(CCCC2)CN1C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000619928446 492282838 /nfs/dbraw/zinc/28/28/38/492282838.db2.gz WQBMHKFBVFARHG-LBPRGKRZSA-N -1 3 356.448 0.259 10 0 FCAEHM CCN1CCN(CC(=O)Nc2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)CC1 ZINC000619986370 492285680 /nfs/dbraw/zinc/28/56/80/492285680.db2.gz AAVHJAYAUGNXOR-SFHVURJKSA-N -1 3 359.430 0.317 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CC[C@@H]2COC[C@@H]2C1 ZINC000620144989 492295824 /nfs/dbraw/zinc/29/58/24/492295824.db2.gz PAUUERRBQAILQJ-XQQFMLRXSA-N -1 3 356.419 0.987 10 0 FCAEHM CO[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2ccccc2F)[C@@](C)(CO)C1 ZINC000634057800 492315732 /nfs/dbraw/zinc/31/57/32/492315732.db2.gz ALYJJROOJMANMS-XHDPSFHLSA-N -1 3 360.407 0.102 10 0 FCAEHM CO[C@@H]1CN(C(=O)CCNC(=O)c2ccc(C)cc2[O-])[C@](C)(CO)C1 ZINC000634070667 492319546 /nfs/dbraw/zinc/31/95/46/492319546.db2.gz QWIJRACDDNPKOF-UGSOOPFHSA-N -1 3 350.415 0.819 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N(C)[C@H]1CCCCN(C)C1=O ZINC000634143013 492321981 /nfs/dbraw/zinc/32/19/81/492321981.db2.gz JVZUEHOVVZLMMQ-NEPJUHHUSA-N -1 3 373.500 0.884 10 0 FCAEHM CCOc1ccc(NC(=O)C[N-]S(=O)(=O)c2cn(C)c(C)n2)nc1C ZINC000620645365 492323018 /nfs/dbraw/zinc/32/30/18/492323018.db2.gz ZFZZJBZJQSASKH-UHFFFAOYSA-N -1 3 367.431 0.748 10 0 FCAEHM CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000647588360 492328390 /nfs/dbraw/zinc/32/83/90/492328390.db2.gz PSEJEHWOATZMGQ-ZDUSSCGKSA-N -1 3 353.463 0.936 10 0 FCAEHM CN1CCC[C@H]1[C@H]1COCCN1C(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000627518344 492330936 /nfs/dbraw/zinc/33/09/36/492330936.db2.gz FMKLFMBKORKVQI-UONOGXRCSA-N -1 3 368.459 0.388 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NCc1cccc(COC[C@@H]2CCCO2)c1 ZINC000620762362 492333517 /nfs/dbraw/zinc/33/35/17/492333517.db2.gz ABQOVKSEVWQOJK-HNNXBMFYSA-N -1 3 361.398 0.550 10 0 FCAEHM Cc1cc(N2CCN(C(=O)c3cc(F)c[n-]c3=O)CC2)n2ncnc2n1 ZINC000621534108 492389160 /nfs/dbraw/zinc/38/91/60/492389160.db2.gz YKMSCBMSLASYNC-UHFFFAOYSA-N -1 3 357.349 0.635 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N[C@@H](C2CC2)[C@H]2CCCCO2)c1 ZINC000655224786 492416532 /nfs/dbraw/zinc/41/65/32/492416532.db2.gz XDIAGUGJQGWANS-DOMZBBRYSA-N -1 3 356.448 0.162 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)c1cn(C2CCC2)nn1 ZINC000648331809 492427418 /nfs/dbraw/zinc/42/74/18/492427418.db2.gz QCOXGIVHUSDJIB-UHFFFAOYSA-N -1 3 355.445 0.773 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N[C@H]2C[C@H](OC(C)(C)C)C2)cn1C ZINC000655310836 492434423 /nfs/dbraw/zinc/43/44/23/492434423.db2.gz HFONQKQOTOGYAT-JOCQHMNTSA-N -1 3 372.491 0.859 10 0 FCAEHM CC[C@@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1)[C@H]1CCCCO1 ZINC000655343355 492436928 /nfs/dbraw/zinc/43/69/28/492436928.db2.gz ABVLDAUTDJBWLO-CHWSQXEVSA-N -1 3 358.464 0.471 10 0 FCAEHM O=C(c1cc(N2CCCCC2)ncn1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000621979867 492437201 /nfs/dbraw/zinc/43/72/01/492437201.db2.gz APZQCFYNGDBNON-KRWDZBQOSA-N -1 3 358.402 0.281 10 0 FCAEHM COCCN1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)C(C)(C)C1 ZINC000628008038 492443619 /nfs/dbraw/zinc/44/36/19/492443619.db2.gz UNGHCPOKHAMCNE-UHFFFAOYSA-N -1 3 370.475 0.636 10 0 FCAEHM NS(=O)(=O)CCOCCNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622050696 492448681 /nfs/dbraw/zinc/44/86/81/492448681.db2.gz YPLMGRLESVECPR-UHFFFAOYSA-N -1 3 356.322 0.446 10 0 FCAEHM COc1ccc2c(c1)[n-]cc(C(=O)NC[C@]1(OCCO)CCOC1)c2=O ZINC000622143721 492458706 /nfs/dbraw/zinc/45/87/06/492458706.db2.gz GOKZJBYZQQJCMP-GOSISDBHSA-N -1 3 362.382 0.435 10 0 FCAEHM CS(=O)(=O)CCCS(=O)(=O)[N-][C@@H]1CCc2ccccc2NC1=O ZINC000655629030 492467137 /nfs/dbraw/zinc/46/71/37/492467137.db2.gz WOAONJZGUJIVRF-CYBMUJFWSA-N -1 3 360.457 0.294 10 0 FCAEHM COc1cc(CCCNC(=O)C[C@@H]2NC(=O)[N-]C2=O)cc(OC)c1O ZINC000622268856 492470674 /nfs/dbraw/zinc/47/06/74/492470674.db2.gz FGPFLWCHBFZSIS-JTQLQIEISA-N -1 3 351.359 0.056 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CCO[C@@]2(CCSC2)C1 ZINC000648956029 492479800 /nfs/dbraw/zinc/47/98/00/492479800.db2.gz RMSXDPYGXSGYLZ-ZDUSSCGKSA-N -1 3 362.498 0.761 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCCc1ncn(C)n1 ZINC000648985703 492481698 /nfs/dbraw/zinc/48/16/98/492481698.db2.gz DNCPUCCPHAANQL-JTQLQIEISA-N -1 3 357.461 0.292 10 0 FCAEHM CCCC[C@@](C)(CO)NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000649030970 492483969 /nfs/dbraw/zinc/48/39/69/492483969.db2.gz YXCZNDZTTNHTDT-ZDUSSCGKSA-N -1 3 362.224 0.769 10 0 FCAEHM Cn1nccc1[C@@H](CO)NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000622694485 492484012 /nfs/dbraw/zinc/48/40/12/492484012.db2.gz NCXKUJYTXCHBCH-GFCCVEGCSA-N -1 3 356.379 0.394 10 0 FCAEHM CN(C)S(=O)(=O)c1ccc([N-]C(=O)c2nnn(C(C)(C)C)n2)nc1 ZINC000622859060 492491616 /nfs/dbraw/zinc/49/16/16/492491616.db2.gz JPKBUBGTJIGFDI-UHFFFAOYSA-N -1 3 353.408 0.326 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CN(C)C(=O)[C@H]1C ZINC000649159581 492507018 /nfs/dbraw/zinc/50/70/18/492507018.db2.gz QNFMJZOUUIGZLU-GFCCVEGCSA-N -1 3 355.398 0.720 10 0 FCAEHM COC1(CS(=O)(=O)[N-][C@@H]2c3ccccc3CN(C)C2=O)CCOCC1 ZINC000623240445 492532412 /nfs/dbraw/zinc/53/24/12/492532412.db2.gz LIFALDPLMSTEHW-OAHLLOKOSA-N -1 3 368.455 0.815 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)N[C@H]1Cc2cncn2C1 ZINC000623280732 492538181 /nfs/dbraw/zinc/53/81/81/492538181.db2.gz APWQNITVMYUOLW-NSHDSACASA-N -1 3 352.391 0.432 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000629139559 492579856 /nfs/dbraw/zinc/57/98/56/492579856.db2.gz NOWPGCSKZUZVNR-WCBMZHEXSA-N -1 3 358.192 0.395 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N[C@H]2CO[C@@H](C3CC3)C2)cn1C ZINC000629137170 492580090 /nfs/dbraw/zinc/58/00/90/492580090.db2.gz KPMFMDBZKNUGFO-CHWSQXEVSA-N -1 3 356.448 0.081 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000629165207 492580423 /nfs/dbraw/zinc/58/04/23/492580423.db2.gz QYPWHLKSYZLFGB-ONGXEEELSA-N -1 3 354.769 0.772 10 0 FCAEHM CCOc1nc2cc(C(=O)N3CCC(NS(N)(=O)=O)CC3)ccc2[n-]1 ZINC000629187400 492588346 /nfs/dbraw/zinc/58/83/46/492588346.db2.gz AHPNSKATAUXWLX-UHFFFAOYSA-N -1 3 367.431 0.359 10 0 FCAEHM CCOc1nc2ccc(C(=O)N3CCC(NS(N)(=O)=O)CC3)cc2[n-]1 ZINC000629187400 492588348 /nfs/dbraw/zinc/58/83/48/492588348.db2.gz AHPNSKATAUXWLX-UHFFFAOYSA-N -1 3 367.431 0.359 10 0 FCAEHM CN(C)S(=O)(=O)N1CC(NCc2cccc([O-])c2Br)C1 ZINC000623794196 492595979 /nfs/dbraw/zinc/59/59/79/492595979.db2.gz LLNYYLDAEHMDBE-UHFFFAOYSA-N -1 3 364.265 0.735 10 0 FCAEHM Cc1n[nH]cc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CC(C)(F)C1 ZINC000656375491 492616384 /nfs/dbraw/zinc/61/63/84/492616384.db2.gz UAALPNZBJMZZJD-UHFFFAOYSA-N -1 3 354.429 0.224 10 0 FCAEHM Cc1n[nH]c(C)c1[N-]S(=O)(=O)CCCS(=O)(=O)N1CC(C)(C)C1 ZINC000656377996 492617408 /nfs/dbraw/zinc/61/74/08/492617408.db2.gz DAHIJHROOJGNBE-UHFFFAOYSA-N -1 3 364.493 0.830 10 0 FCAEHM CO[C@@H](C)CS(=O)(=O)[N-]c1cccc(CN2CCCS2(=O)=O)c1 ZINC000656633264 492639697 /nfs/dbraw/zinc/63/96/97/492639697.db2.gz ZHTOOBUPAKXIFX-LBPRGKRZSA-N -1 3 362.473 0.999 10 0 FCAEHM CSc1ccc([O-])c(C(=O)N2CCOC[C@H]2CNS(C)(=O)=O)c1 ZINC000629566794 492646173 /nfs/dbraw/zinc/64/61/73/492646173.db2.gz HTKNWKUHCXYQIF-SNVBAGLBSA-N -1 3 360.457 0.504 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]c1ccnn1-c1ccc(C)nn1)[C@H]1CCOC1 ZINC000656730651 492647460 /nfs/dbraw/zinc/64/74/60/492647460.db2.gz ITGVWYPNKRZJLR-QWHCGFSZSA-N -1 3 367.431 0.764 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]Cc1nncn1-c1ccccc1)[C@@H]1CCOC1 ZINC000656874082 492657302 /nfs/dbraw/zinc/65/73/02/492657302.db2.gz PZHZOPCMIVFSNQ-HIFRSBDPSA-N -1 3 366.443 0.738 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]CC(=O)Nc1cccc(F)c1)[C@H]1CCOC1 ZINC000656890537 492660682 /nfs/dbraw/zinc/66/06/82/492660682.db2.gz WSMGAELLKRYOCP-FZMZJTMJSA-N -1 3 360.407 0.735 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@@H](c1nc[nH]n1)c1ccccc1)[C@@H]1CCOC1 ZINC000656966098 492681438 /nfs/dbraw/zinc/68/14/38/492681438.db2.gz ALUIYBUTKPRELY-RBSFLKMASA-N -1 3 366.443 0.865 10 0 FCAEHM CCN(C)C(=O)[C@@H]([N-]S(=O)(=O)C[C@@H](OC)[C@@H]1CCOC1)C(C)C ZINC000657001030 492691412 /nfs/dbraw/zinc/69/14/12/492691412.db2.gz HEAACWNOHUJLPN-MCIONIFRSA-N -1 3 350.481 0.460 10 0 FCAEHM CCO[C@@H](CS(=O)(=O)[N-]CCS(=O)(=O)NC(C)(C)C)C1CC1 ZINC000624842020 492689616 /nfs/dbraw/zinc/68/96/16/492689616.db2.gz MRGLUDFKVJOJGQ-LBPRGKRZSA-N -1 3 356.510 0.439 10 0 FCAEHM CNC(=O)CN1CCC([N-]S(=O)(=O)c2ccc(C)c(F)c2F)CC1 ZINC000624847784 492690065 /nfs/dbraw/zinc/69/00/65/492690065.db2.gz PQDFFNYTIXZXDI-UHFFFAOYSA-N -1 3 361.414 0.762 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@H](C1CC1)[C@@]1(CO)CCCO1)[C@@H]1CCOC1 ZINC000656997791 492690506 /nfs/dbraw/zinc/69/05/06/492690506.db2.gz MDNCYNGCTGXTQI-FPCVCCKLSA-N -1 3 363.476 0.277 10 0 FCAEHM CC(=O)N1CCc2sc(S(=O)(=O)[N-]CC[C@@]3(O)CCOC3)cc2C1 ZINC000657023374 492696834 /nfs/dbraw/zinc/69/68/34/492696834.db2.gz QYMQUQAWXBWGJP-OAHLLOKOSA-N -1 3 374.484 0.473 10 0 FCAEHM CNS(=O)(=O)C[C@H]1CCCN(C(=O)c2cc(OC)c([O-])c(OC)c2)C1 ZINC000629891902 492697135 /nfs/dbraw/zinc/69/71/35/492697135.db2.gz XAMYOJBBJJHCDP-NSHDSACASA-N -1 3 372.443 0.811 10 0 FCAEHM CNS(=O)(=O)C[C@H]1CCCN(C(=O)c2ccc(C(C)=O)c([O-])c2)C1 ZINC000629893955 492697885 /nfs/dbraw/zinc/69/78/85/492697885.db2.gz UZJODVCSKLEMQY-LBPRGKRZSA-N -1 3 354.428 0.996 10 0 FCAEHM CO[C@H](C[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)[C@H]1CCOC1 ZINC000657048149 492704275 /nfs/dbraw/zinc/70/42/75/492704275.db2.gz ZMKMZSSLMBOONG-NWDGAFQWSA-N -1 3 363.457 0.420 10 0 FCAEHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@@H](CO)C2CCC2)cc1F ZINC000657055167 492705735 /nfs/dbraw/zinc/70/57/35/492705735.db2.gz DDYSVWOTMIIIHG-LBPRGKRZSA-N -1 3 351.421 0.669 10 0 FCAEHM COC[C@@H]([N-]S(=O)(=O)CC1(OC)CCOCC1)C1CCOCC1 ZINC000657062581 492706344 /nfs/dbraw/zinc/70/63/44/492706344.db2.gz ZMTBYSANLRWSHJ-CQSZACIVSA-N -1 3 351.465 0.543 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@H]2C[C@@H](C)n3ncnc32)coc1C(=O)N(C)C ZINC000657067255 492708475 /nfs/dbraw/zinc/70/84/75/492708475.db2.gz RTXGVPIZLRIFLB-SCZZXKLOSA-N -1 3 353.404 0.866 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)Nc1nc(-c2ccccc2)no1 ZINC000629957039 492708883 /nfs/dbraw/zinc/70/88/83/492708883.db2.gz OAZVZGZVXBMCOH-UHFFFAOYSA-N -1 3 354.388 0.053 10 0 FCAEHM O=S(=O)([N-]C[C@]1(OCCO)CCOC1)c1cccnc1C(F)(F)F ZINC000657084511 492711314 /nfs/dbraw/zinc/71/13/14/492711314.db2.gz BDSVGYWBKTWZAO-GFCCVEGCSA-N -1 3 370.349 0.547 10 0 FCAEHM O=S(=O)([N-]C[C@@]1(OCCO)CCOC1)c1cc(F)ccc1Cl ZINC000657086382 492712822 /nfs/dbraw/zinc/71/28/22/492712822.db2.gz LRWHUIHRGFYQNT-ZDUSSCGKSA-N -1 3 353.799 0.925 10 0 FCAEHM C[C@H]1CCCc2nc(S(=O)(=O)[N-]C[C@]3(OCCO)CCOC3)cn21 ZINC000657087674 492713540 /nfs/dbraw/zinc/71/35/40/492713540.db2.gz WZAYSJXKRUTSNT-SWLSCSKDSA-N -1 3 359.448 0.227 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]C[C@@]1(OCCO)CCOC1)C1CCCCC1 ZINC000657090904 492714341 /nfs/dbraw/zinc/71/43/41/492714341.db2.gz QGQXQWGVWCWOIX-HOTGVXAUSA-N -1 3 365.492 0.669 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-]C[C@H]2CCCS2(=O)=O)CCOCC1 ZINC000625071438 492719701 /nfs/dbraw/zinc/71/97/01/492719701.db2.gz JLXFSLUCOOQLHM-GFCCVEGCSA-N -1 3 355.478 0.069 10 0 FCAEHM CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]C1(C(N)=O)CCOCC1 ZINC000625078398 492721189 /nfs/dbraw/zinc/72/11/89/492721189.db2.gz QEDKIHXYTLYUAG-AWEZNQCLSA-N -1 3 374.434 0.337 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]C[C@H](C)S(C)(=O)=O)c1ccc(F)cc1 ZINC000625084590 492721671 /nfs/dbraw/zinc/72/16/71/492721671.db2.gz GOTBECUPHYRJPQ-GXFFZTMASA-N -1 3 353.437 0.866 10 0 FCAEHM COCCNC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)[C@H]1COC(C)(C)C1 ZINC000625087622 492721858 /nfs/dbraw/zinc/72/18/58/492721858.db2.gz FLRADWMGIBHLCY-OLZOCXBDSA-N -1 3 350.481 0.651 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-][C@@H](CC(C)C)C(=O)NC)CCOCC1 ZINC000625091731 492722813 /nfs/dbraw/zinc/72/28/13/492722813.db2.gz ZYAQAXSYQKLDQP-ZDUSSCGKSA-N -1 3 350.481 0.652 10 0 FCAEHM COCc1nc(C[N-]S(=O)(=O)c2cnc3onc(C4CC4)c3c2)n[nH]1 ZINC000657105630 492723261 /nfs/dbraw/zinc/72/32/61/492723261.db2.gz WYJQNICSHYDCOL-UHFFFAOYSA-N -1 3 364.387 0.843 10 0 FCAEHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)CC2(OCC)CCOCC2)[C@H]1OC ZINC000625118408 492726662 /nfs/dbraw/zinc/72/66/62/492726662.db2.gz ITVXWYJZTLEBOE-MGPQQGTHSA-N -1 3 351.465 0.684 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)NC[C@@H]3CCC[C@@H]4C[C@@H]43)cnc21 ZINC000657151160 492733289 /nfs/dbraw/zinc/73/32/89/492733289.db2.gz XDSNIYPQPUHMJH-SCVCMEIPSA-N -1 3 364.427 0.749 10 0 FCAEHM CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-][C@H]1C(=O)NCC[C@H]1C ZINC000625185036 492736141 /nfs/dbraw/zinc/73/61/41/492736141.db2.gz TZKXZTLAGABUFZ-KCPJHIHWSA-N -1 3 358.435 0.827 10 0 FCAEHM O=C1CC[C@@H](C[N-]S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)N1 ZINC000657190546 492739938 /nfs/dbraw/zinc/73/99/38/492739938.db2.gz XFYLLJOAJPTWCW-VIFPVBQESA-N -1 3 357.819 0.782 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-][C@@H](CO)[C@@H]2CCCOC2)CCOCC1 ZINC000625254808 492746239 /nfs/dbraw/zinc/74/62/39/492746239.db2.gz QQGJBNBTEXTCTA-KGLIPLIRSA-N -1 3 351.465 0.279 10 0 FCAEHM O=S(=O)(CCCN1CCOCC1)[N-]C[C@@H](n1cccn1)C(F)(F)F ZINC000625328332 492757215 /nfs/dbraw/zinc/75/72/15/492757215.db2.gz MWFNTAZIQPFHLT-GFCCVEGCSA-N -1 3 370.397 0.628 10 0 FCAEHM Cc1cn(C)nc1NC(=O)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000657537422 492759017 /nfs/dbraw/zinc/75/90/17/492759017.db2.gz KIDQGCVGFGTZCG-UHFFFAOYSA-N -1 3 371.397 0.357 10 0 FCAEHM CON1CCC(C(=O)NCc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)CC1 ZINC000630889691 492782469 /nfs/dbraw/zinc/78/24/69/492782469.db2.gz OIGOBQPZXTYMTC-SFHVURJKSA-N -1 3 360.414 0.631 10 0 FCAEHM CON1CCC(C(=O)NCc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)CC1 ZINC000630889688 492782659 /nfs/dbraw/zinc/78/26/59/492782659.db2.gz OIGOBQPZXTYMTC-GOSISDBHSA-N -1 3 360.414 0.631 10 0 FCAEHM CNC(=O)CN1CCC(N=c2cc(-c3ccccc3)n3[n-]cnc3n2)CC1 ZINC000631057067 492796283 /nfs/dbraw/zinc/79/62/83/492796283.db2.gz SJHVSHILWVQVAR-UHFFFAOYSA-N -1 3 365.441 0.836 10 0 FCAEHM CC(C)n1cnc(=NC(=O)C(=O)N[C@@H](C)[C@@H]2CCCN(C3CCC3)C2)[n-]1 ZINC000651658222 492802145 /nfs/dbraw/zinc/80/21/45/492802145.db2.gz KPXJZCJPYRXLLA-UONOGXRCSA-N -1 3 362.478 0.989 10 0 FCAEHM COCCOc1ccc(F)cc1S(=O)(=O)[N-]C[C@H]1COCCN1C ZINC000625515827 492806376 /nfs/dbraw/zinc/80/63/76/492806376.db2.gz JMBJWGLFIKBBJM-ZDUSSCGKSA-N -1 3 362.423 0.460 10 0 FCAEHM O=S(=O)([N-]C1(c2noc(C(F)F)n2)CCC1)N1CCCOCC1 ZINC000651714248 492811682 /nfs/dbraw/zinc/81/16/82/492811682.db2.gz VOSKAEKUHJJCPC-UHFFFAOYSA-N -1 3 352.363 0.943 10 0 FCAEHM COC1(CS(=O)(=O)[N-][C@H](C2CC2)[C@@]2(CO)CCCO2)CCOCC1 ZINC000651720672 492812430 /nfs/dbraw/zinc/81/24/30/492812430.db2.gz HKHSZNRZVQIZJG-ZBFHGGJFSA-N -1 3 363.476 0.422 10 0 FCAEHM O=C(c1c(F)cncc1Br)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000631623173 492826493 /nfs/dbraw/zinc/82/64/93/492826493.db2.gz ZGEYUBNZSHVNPZ-MRVPVSSYSA-N -1 3 357.139 0.359 10 0 FCAEHM CCN1C[C@@H](S(=O)(=O)[N-]CC(=O)Nc2c(C)cccc2C)CC1=O ZINC000631655291 492830404 /nfs/dbraw/zinc/83/04/04/492830404.db2.gz BYUKLSHZMLBJPH-ZDUSSCGKSA-N -1 3 353.444 0.782 10 0 FCAEHM C[C@@H]1CCCN(S(=O)(=O)[N-]CC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000625618163 492840766 /nfs/dbraw/zinc/84/07/66/492840766.db2.gz VQUKIVALZRNFHB-GFCCVEGCSA-N -1 3 369.443 0.963 10 0 FCAEHM O=C(c1cccc([O-])c1)N1CCN(C(=O)C2(N3CCOCC3)CC2)CC1 ZINC000631725656 492842923 /nfs/dbraw/zinc/84/29/23/492842923.db2.gz XJRTWDHFBBRBAA-UHFFFAOYSA-N -1 3 359.426 0.541 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]C2CN(S(=O)(=O)N(C)C)C2)c(F)c1F ZINC000625623820 492845093 /nfs/dbraw/zinc/84/50/93/492845093.db2.gz BROTVOPKXODECU-UHFFFAOYSA-N -1 3 369.415 0.042 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)CC2(Cn3cnnn3)CCCCC2)nc1=N ZINC000651976035 492857055 /nfs/dbraw/zinc/85/70/55/492857055.db2.gz USGVAQNOLDVWLK-CYBMUJFWSA-N -1 3 373.465 0.918 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)N2CC(CCOC)C2)ccc1F ZINC000658324250 492859383 /nfs/dbraw/zinc/85/93/83/492859383.db2.gz BNBNMELJTRUUSO-UHFFFAOYSA-N -1 3 373.406 0.167 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@H]1CCN(C2CCC2)C1=O)C1CCOCC1 ZINC000625689167 492860615 /nfs/dbraw/zinc/86/06/15/492860615.db2.gz BFWJSMACTADIKN-LSDHHAIUSA-N -1 3 360.476 0.501 10 0 FCAEHM Cc1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C)CC2 ZINC000631888848 492870590 /nfs/dbraw/zinc/87/05/90/492870590.db2.gz CCPUWHOUGZPHPD-MRVPVSSYSA-N -1 3 364.353 0.632 10 0 FCAEHM COCCN1CCC[C@H]1C[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000631895802 492872599 /nfs/dbraw/zinc/87/25/99/492872599.db2.gz WYPXQIHKHAWUGF-JTQLQIEISA-N -1 3 370.397 0.828 10 0 FCAEHM Cn1ccnc1[C@H]([N-]S(=O)(=O)C[C@@H]1CNCCO1)c1ccccc1F ZINC000631910772 492876754 /nfs/dbraw/zinc/87/67/54/492876754.db2.gz NHJXLGLIQDHXPA-SWLSCSKDSA-N -1 3 368.434 0.556 10 0 FCAEHM C[C@H]1C(=O)N(C)CN1C(=O)NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000645244457 492882489 /nfs/dbraw/zinc/88/24/89/492882489.db2.gz ASDSOCFHRMYYGM-BTDLBPIBSA-N -1 3 359.386 0.071 10 0 FCAEHM O=C(C[N-]S(=O)(=O)C[C@@H]1CNCCO1)Nc1cccc2ccccc21 ZINC000631916711 492882544 /nfs/dbraw/zinc/88/25/44/492882544.db2.gz CISZZTNQGVARLZ-AWEZNQCLSA-N -1 3 363.439 0.686 10 0 FCAEHM O=C1[C@H]([N-]S(=O)(=O)C[C@H]2CNCCO2)CCCN1c1ccccc1F ZINC000631928711 492889924 /nfs/dbraw/zinc/88/99/24/492889924.db2.gz LBAVHHIUBPTBHM-TZMCWYRMSA-N -1 3 371.434 0.229 10 0 FCAEHM CN(C)C(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000631930730 492890055 /nfs/dbraw/zinc/89/00/55/492890055.db2.gz WTUJUJVIBOJNBS-NSHDSACASA-N -1 3 355.441 0.827 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-][C@@H]1CCCS(=O)(=O)C1 ZINC000631949835 492895971 /nfs/dbraw/zinc/89/59/71/492895971.db2.gz QOTXMUGZUNXVLY-SSDOTTSWSA-N -1 3 361.367 0.294 10 0 FCAEHM CN1CCO[C@H](CS(=O)(=O)[N-][C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC000631935159 492891096 /nfs/dbraw/zinc/89/10/96/492891096.db2.gz QIMJUTRPRRUGNZ-LSDHHAIUSA-N -1 3 353.444 0.042 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)[C@H]3CCCS(=O)(=O)C3)cc2n(C)c1=O ZINC000652257978 492901459 /nfs/dbraw/zinc/90/14/59/492901459.db2.gz HMYQYBNYZBSGPZ-VIFPVBQESA-N -1 3 353.400 0.346 10 0 FCAEHM COc1cccc(N2CCC[C@H]([N-]S(=O)(=O)c3nncn3C)C2)c1 ZINC000631983541 492903905 /nfs/dbraw/zinc/90/39/05/492903905.db2.gz FGQPIZGQDSVQJI-LBPRGKRZSA-N -1 3 351.432 0.771 10 0 FCAEHM CS(=O)(=O)NC1(C[N-]S(=O)(=O)c2cscn2)CCCCC1 ZINC000645463373 492909457 /nfs/dbraw/zinc/90/94/57/492909457.db2.gz ADQUFCCUSUKBRK-UHFFFAOYSA-N -1 3 353.491 0.674 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@@H](C)CN2CCCC2=O)coc1C(=O)N(C)C ZINC000645484713 492913403 /nfs/dbraw/zinc/91/34/03/492913403.db2.gz XHVIPZCHQJYGLH-JTQLQIEISA-N -1 3 357.432 0.579 10 0 FCAEHM CCN1C[C@H](S(=O)(=O)[N-][C@H]2C[C@@H](C)N(c3ccccc3)C2=O)CC1=O ZINC000632037116 492916393 /nfs/dbraw/zinc/91/63/93/492916393.db2.gz MMPVBJUQHPLFHB-YUELXQCFSA-N -1 3 365.455 0.721 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CCOC[C@@H]2CCCO2)coc1C(=O)N(C)C ZINC000645540372 492923267 /nfs/dbraw/zinc/92/32/67/492923267.db2.gz LQQYZVFRFIGFOT-LBPRGKRZSA-N -1 3 360.432 0.764 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]C[C@H](O)COCC(C)C)coc1C(=O)N(C)C ZINC000645554400 492924869 /nfs/dbraw/zinc/92/48/69/492924869.db2.gz FOTLWQNMHKFCKF-LBPRGKRZSA-N -1 3 362.448 0.602 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(N)=O)C2)coc1C(=O)N(C)C ZINC000645553514 492925147 /nfs/dbraw/zinc/92/51/47/492925147.db2.gz DFZGBDYBWQMSNE-GHMZBOCLSA-N -1 3 357.432 0.612 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(N)=O)coc1C(=O)N(C)C ZINC000645585280 492932613 /nfs/dbraw/zinc/93/26/13/492932613.db2.gz WLYCWVJLSGWNQF-WDEREUQCSA-N -1 3 357.432 0.612 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C)[C@H]1CN(C)CCO1 ZINC000632123787 492934104 /nfs/dbraw/zinc/93/41/04/492934104.db2.gz JNWZVBQIWDLYDR-WCBMZHEXSA-N -1 3 356.370 0.436 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CCCO[C@@H]2CCOC2)coc1C(=O)N(C)C ZINC000645597960 492936477 /nfs/dbraw/zinc/93/64/77/492936477.db2.gz LGBVRFSEZZKPLK-GFCCVEGCSA-N -1 3 360.432 0.764 10 0 FCAEHM O=S(=O)(Cc1ncsc1Br)[N-]C[C@]1(O)CCOC1 ZINC000632142846 492938753 /nfs/dbraw/zinc/93/87/53/492938753.db2.gz MFIBMFHIMPNILU-SECBINFHSA-N -1 3 357.251 0.476 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]C[C@@H]2CCCS2(=O)=O)coc1C(=O)N(C)C ZINC000645609604 492939279 /nfs/dbraw/zinc/93/92/79/492939279.db2.gz JQILWEJMXSNICN-JTQLQIEISA-N -1 3 364.445 0.145 10 0 FCAEHM CNC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000645635098 492951465 /nfs/dbraw/zinc/95/14/65/492951465.db2.gz IXLKKYFICJXYRC-MNOVXSKESA-N -1 3 357.432 0.483 10 0 FCAEHM CN1CC[C@](O)(C[N-]S(=O)(=O)Cc2ncsc2Br)C1 ZINC000632213091 492951734 /nfs/dbraw/zinc/95/17/34/492951734.db2.gz CKBIWLGZSDMDTF-JTQLQIEISA-N -1 3 370.294 0.392 10 0 FCAEHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)C[C@@H](OC)C2CCOCC2)[C@@H]1OC ZINC000645651538 492955162 /nfs/dbraw/zinc/95/51/62/492955162.db2.gz OPDGVPVZOIUJIK-YJNKXOJESA-N -1 3 351.465 0.540 10 0 FCAEHM COCCN1CC[C@H]([N-]S(=O)(=O)c2coc(C(=O)N(C)C)c2C)C1 ZINC000645667884 492957100 /nfs/dbraw/zinc/95/71/00/492957100.db2.gz RWEMBARTBXBJOL-LBPRGKRZSA-N -1 3 359.448 0.289 10 0 FCAEHM COCC[C@@]1([N-]S(=O)(=O)c2coc(C(=O)N(C)C)c2C)CCOC1 ZINC000645686397 492960065 /nfs/dbraw/zinc/96/00/65/492960065.db2.gz UXWPCEKYKBZVPZ-OAHLLOKOSA-N -1 3 360.432 0.764 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]CC1(S(C)(=O)=O)CCC1)C1CCOCC1 ZINC000645689916 492960747 /nfs/dbraw/zinc/96/07/47/492960747.db2.gz UHRFLKMYOXGHTB-CYBMUJFWSA-N -1 3 369.505 0.315 10 0 FCAEHM C[C@H]1CCNC(=O)[C@H]1[N-]S(=O)(=O)Cc1ncsc1Br ZINC000632305528 492969347 /nfs/dbraw/zinc/96/93/47/492969347.db2.gz XBYKBPLIOCWSBR-XPUUQOCRSA-N -1 3 368.278 0.850 10 0 FCAEHM O=c1[nH]cc(S(=O)(=O)[N-]C[C@H](N2CCOCC2)C(F)(F)F)s1 ZINC000632334179 492975671 /nfs/dbraw/zinc/97/56/71/492975671.db2.gz YRKQJAFHFZIGMU-ZETCQYMHSA-N -1 3 361.367 0.390 10 0 FCAEHM Cc1nn2cc(S(=O)(=O)[N-]CCCc3ncn(C)n3)cnc2c1Cl ZINC000645804736 492976606 /nfs/dbraw/zinc/97/66/06/492976606.db2.gz ZIOSUSRIJYVKFH-UHFFFAOYSA-N -1 3 369.838 0.731 10 0 FCAEHM O=S(=O)([N-]C[C@@H]1CCCCN1CCO)c1c[nH]nc1C(F)(F)F ZINC000632388946 492988872 /nfs/dbraw/zinc/98/88/72/492988872.db2.gz HKKHMMXAYXVTKV-VIFPVBQESA-N -1 3 356.370 0.554 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-][C@H]1CCCN(CCCO)C1 ZINC000632389158 492988735 /nfs/dbraw/zinc/98/87/35/492988735.db2.gz MGPXQYFYILVRBK-JTQLQIEISA-N -1 3 370.397 0.564 10 0 FCAEHM CN1CCO[C@H](CS(=O)(=O)[N-]Cc2nccc(C(F)(F)F)n2)C1 ZINC000632455349 493001156 /nfs/dbraw/zinc/00/11/56/493001156.db2.gz AUJKPEQSIHZXOR-VIFPVBQESA-N -1 3 354.354 0.245 10 0 FCAEHM NC(=O)[C@H]1C[C@@H](NC(=O)CC[N-]S(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000652798872 493019926 /nfs/dbraw/zinc/01/99/26/493019926.db2.gz BEOMZURHCDNMPD-DTORHVGOSA-N -1 3 361.370 0.013 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000652813569 493022877 /nfs/dbraw/zinc/02/28/77/493022877.db2.gz GUMCPXLERVRWDW-XHSDSOJGSA-N -1 3 372.425 0.086 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000652814254 493023092 /nfs/dbraw/zinc/02/30/92/493023092.db2.gz UBLIOZDVJUGDPK-HZPDHXFCSA-N -1 3 372.425 0.040 10 0 FCAEHM O=C1C[C@H](S(=O)(=O)[N-][C@H]2CCc3ccccc3NC2=O)CN1C1CC1 ZINC000632536894 493023639 /nfs/dbraw/zinc/02/36/39/493023639.db2.gz VXIXFJDKXYHEPV-ZFWWWQNUSA-N -1 3 363.439 0.623 10 0 FCAEHM CN1CCO[C@H](CS(=O)(=O)[N-][C@@H]2CCc3ccccc3NC2=O)C1 ZINC000632536566 493023693 /nfs/dbraw/zinc/02/36/93/493023693.db2.gz PHLRAWHEOWWVRZ-DZGCQCFKSA-N -1 3 353.444 0.190 10 0 FCAEHM CO[C@@](C)(CO)C[N-]S(=O)(=O)Cc1ncsc1Br ZINC000632536807 493023979 /nfs/dbraw/zinc/02/39/79/493023979.db2.gz UNODVILSKGYKJS-SECBINFHSA-N -1 3 359.267 0.722 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-][C@H]1CCc2c(nnn2C)C1 ZINC000632538726 493024449 /nfs/dbraw/zinc/02/44/49/493024449.db2.gz UFZXAONIQALRNX-ZETCQYMHSA-N -1 3 364.353 0.403 10 0 FCAEHM C[C@H]1C[C@H]1c1noc(CC2CCN(C(=O)C[C@@H]3NC(=O)[N-]C3=O)CC2)n1 ZINC000652845850 493028810 /nfs/dbraw/zinc/02/88/10/493028810.db2.gz FCUMQMHLKABASG-WCQGTBRESA-N -1 3 361.402 0.572 10 0 FCAEHM COc1ccc([O-])c(S(=O)(=O)N2CCC(N3CC[C@H](O)C3)CC2)c1 ZINC000632572792 493032255 /nfs/dbraw/zinc/03/22/55/493032255.db2.gz GVTIXMAWSRAWOS-ZDUSSCGKSA-N -1 3 356.444 0.621 10 0 FCAEHM O=C1C[C@H](S(=O)(=O)[N-][C@H](CO)c2ccc(F)cc2F)CN1C1CC1 ZINC000632573082 493032721 /nfs/dbraw/zinc/03/27/21/493032721.db2.gz QIRNJNIJTQDNBV-SMDDNHRTSA-N -1 3 360.382 0.681 10 0 FCAEHM CN1CCO[C@@H](CS(=O)(=O)[N-]C[C@]2(C)COc3ccccc3O2)C1 ZINC000632589783 493038631 /nfs/dbraw/zinc/03/86/31/493038631.db2.gz XUYFFEBPDKCJLK-CZUORRHYSA-N -1 3 356.444 0.467 10 0 FCAEHM Cc1nocc1S(=O)(=O)[N-]C[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000632600599 493042444 /nfs/dbraw/zinc/04/24/44/493042444.db2.gz NLOWHRLIHLFCBS-CQSZACIVSA-N -1 3 352.416 0.557 10 0 FCAEHM CO[C@H](C)c1nc(=NC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)s[n-]1 ZINC000646407306 493046340 /nfs/dbraw/zinc/04/63/40/493046340.db2.gz PHODJHHFLWRJPG-NXEZZACHSA-N -1 3 356.452 0.251 10 0 FCAEHM CO[C@H](C)c1nc(=NC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)s[n-]1 ZINC000646407308 493046391 /nfs/dbraw/zinc/04/63/91/493046391.db2.gz PHODJHHFLWRJPG-VHSXEESVSA-N -1 3 356.452 0.251 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2[C@H]2CCCN2C)o1 ZINC000646448017 493049560 /nfs/dbraw/zinc/04/95/60/493049560.db2.gz YHTIBQVPRGASFL-VXGBXAGGSA-N -1 3 357.432 0.123 10 0 FCAEHM CCOc1ccncc1S(=O)(=O)[N-][C@@H]1CCN(C2CCOCC2)C1=O ZINC000632627849 493050964 /nfs/dbraw/zinc/05/09/64/493050964.db2.gz LZOWFHBYJVASQU-CYBMUJFWSA-N -1 3 369.443 0.539 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)c2cccc(Cn3cncn3)c2)nc1=N ZINC000626885044 493051308 /nfs/dbraw/zinc/05/13/08/493051308.db2.gz VHBBBDTXGFUORX-CQSZACIVSA-N -1 3 352.402 0.845 10 0 FCAEHM Cn1nccc1[C@H]1COCCN1C(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000652984073 493052567 /nfs/dbraw/zinc/05/25/67/493052567.db2.gz KMWYWFKLSOMQBI-GFCCVEGCSA-N -1 3 370.456 0.360 10 0 FCAEHM Cn1ncc(Cl)c1S(=O)(=O)[N-]C[C@H](n1cncn1)C(F)(F)F ZINC000632645282 493057569 /nfs/dbraw/zinc/05/75/69/493057569.db2.gz OYYPNUXULTXRMU-ZETCQYMHSA-N -1 3 358.733 0.747 10 0 FCAEHM COCc1ccnc(NC(=O)C[N-]S(=O)(=O)c2cn(C)c(C)n2)c1 ZINC000653008130 493058883 /nfs/dbraw/zinc/05/88/83/493058883.db2.gz AITDWFKQSQSIJX-UHFFFAOYSA-N -1 3 353.404 0.187 10 0 FCAEHM COc1cc(F)c(S(=O)(=O)[N-]C2CN(c3ccncn3)C2)cc1OC ZINC000632706955 493068033 /nfs/dbraw/zinc/06/80/33/493068033.db2.gz YBUKBUBHHYKDQB-UHFFFAOYSA-N -1 3 368.390 0.800 10 0 FCAEHM COCCN(C)CCN1C[C@H]([N-]S(=O)(=O)c2ccc(C)o2)CC1=O ZINC000632726970 493078511 /nfs/dbraw/zinc/07/85/11/493078511.db2.gz SDSVBICEOVTKJC-CYBMUJFWSA-N -1 3 359.448 0.045 10 0 FCAEHM Cn1ccnc1COCC(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000646679931 493083275 /nfs/dbraw/zinc/08/32/75/493083275.db2.gz GXYBFSHRRPWBPR-QGZVFWFLSA-N -1 3 357.370 0.630 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000646918995 493126518 /nfs/dbraw/zinc/12/65/18/493126518.db2.gz CGUIBKNYTBMXPC-GDBMZVCRSA-N -1 3 353.426 0.845 10 0 FCAEHM O=C(CCc1nnn[n-]1)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000633571161 493166070 /nfs/dbraw/zinc/16/60/70/493166070.db2.gz QSIXVODRMMCLKE-HZPDHXFCSA-N -1 3 356.430 0.634 10 0 FCAEHM O=C(CCc1nn[n-]n1)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000633571161 493166078 /nfs/dbraw/zinc/16/60/78/493166078.db2.gz QSIXVODRMMCLKE-HZPDHXFCSA-N -1 3 356.430 0.634 10 0 FCAEHM Cc1cn2c(n1)CN(C(=O)Nc1ccc(C[C@@H]3NC(=O)[N-]C3=O)cc1)CC2 ZINC000681431212 493167175 /nfs/dbraw/zinc/16/71/75/493167175.db2.gz CTRJKPHICBSVEY-AWEZNQCLSA-N -1 3 368.397 0.990 10 0 FCAEHM O=C(CCc1nnn[n-]1)NC1(CN2CCN(c3ccccc3)CC2)CC1 ZINC000633638169 493175804 /nfs/dbraw/zinc/17/58/04/493175804.db2.gz KQGCRFJTPNUNAA-UHFFFAOYSA-N -1 3 355.446 0.603 10 0 FCAEHM O=C(CCc1nn[n-]n1)NC1(CN2CCN(c3ccccc3)CC2)CC1 ZINC000633638169 493175811 /nfs/dbraw/zinc/17/58/11/493175811.db2.gz KQGCRFJTPNUNAA-UHFFFAOYSA-N -1 3 355.446 0.603 10 0 FCAEHM COC[C@H](CCNC(=O)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1)OC ZINC000666513119 493195739 /nfs/dbraw/zinc/19/57/39/493195739.db2.gz MYESOEJHDNFEHO-KBPBESRZSA-N -1 3 364.402 0.610 10 0 FCAEHM O=C(N[C@H](C[C@@H]1CCCO1)C(F)(F)F)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000654265078 493219574 /nfs/dbraw/zinc/21/95/74/493219574.db2.gz ZZYCECKBKXIUDQ-LPEHRKFASA-N -1 3 364.324 0.432 10 0 FCAEHM CN(Cc1cc(=O)[n-]c(N)n1)[C@@H]1CCN(C(=O)NC[C@@H]2CCCCO2)C1 ZINC000681931875 493248213 /nfs/dbraw/zinc/24/82/13/493248213.db2.gz HTQBGDRPGQTGMF-KGLIPLIRSA-N -1 3 364.450 0.549 10 0 FCAEHM O=S(=O)([N-]C1CC1)c1ccccc1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000672778257 493249564 /nfs/dbraw/zinc/24/95/64/493249564.db2.gz IOPVTMORRCGFJZ-BETUJISGSA-N -1 3 372.468 0.679 10 0 FCAEHM CC(=O)N(CC(=O)[O-])C[C@@H]1CN(C(=O)[C@H](C)N2CCCCCC2)CCO1 ZINC000681943731 493254843 /nfs/dbraw/zinc/25/48/43/493254843.db2.gz ODBKXZFSXKXZOA-HOCLYGCPSA-N -1 3 369.462 0.411 10 0 FCAEHM Cc1cc(F)ccc1CN(C)C(=O)C(=O)NCc1nc(CN)cc(=O)[n-]1 ZINC000659747995 493284428 /nfs/dbraw/zinc/28/44/28/493284428.db2.gz CBGWVWMZPSOXFW-UHFFFAOYSA-N -1 3 361.377 0.363 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CC(F)(F)C[C@@H]1CO ZINC000673224542 493304968 /nfs/dbraw/zinc/30/49/68/493304968.db2.gz GAMHDGDLEHNXKL-GFCCVEGCSA-N -1 3 364.352 0.911 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)N1C[C@@H](O)CC(F)(F)C1 ZINC000682591956 493310400 /nfs/dbraw/zinc/31/04/00/493310400.db2.gz VQYYFGBKKLGKIX-JTQLQIEISA-N -1 3 365.336 0.486 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCC12CCOCC2 ZINC000682592544 493310487 /nfs/dbraw/zinc/31/04/87/493310487.db2.gz IXLZVKPKUXIINK-UHFFFAOYSA-N -1 3 358.192 0.493 10 0 FCAEHM CO[C@H](C[N-]S(=O)(=O)C[C@@]1(OC(C)C)CCOC1)[C@H]1CCOC1 ZINC000659989636 493312539 /nfs/dbraw/zinc/31/25/39/493312539.db2.gz QBNOFFFXEJCROO-RRFJBIMHSA-N -1 3 351.465 0.541 10 0 FCAEHM COc1cc(C[N-]S(=O)(=O)c2ccc(OC)c(C(=O)N(C)C)c2)on1 ZINC000660010427 493314659 /nfs/dbraw/zinc/31/46/59/493314659.db2.gz LJGWMJFIKZLIHM-UHFFFAOYSA-N -1 3 369.399 0.872 10 0 FCAEHM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1cc(SC)ccc1[O-] ZINC000668154157 493322456 /nfs/dbraw/zinc/32/24/56/493322456.db2.gz GSPOKYCOVJWJIJ-GFCCVEGCSA-N -1 3 351.428 0.581 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@@H](CO)c1ccc(F)cc1F)[C@@H]1CCOC1 ZINC000660098681 493324676 /nfs/dbraw/zinc/32/46/76/493324676.db2.gz BMAZSUYBDLYQIP-WKPIXPDZSA-N -1 3 365.398 0.969 10 0 FCAEHM NC(=O)NC1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000673941908 493375909 /nfs/dbraw/zinc/37/59/09/493375909.db2.gz JNPDDGKULDZAHN-CQSZACIVSA-N -1 3 360.414 0.656 10 0 FCAEHM NC(=O)NC1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000673941907 493375970 /nfs/dbraw/zinc/37/59/70/493375970.db2.gz JNPDDGKULDZAHN-AWEZNQCLSA-N -1 3 360.414 0.656 10 0 FCAEHM CCn1nc2c(cc1=O)CN(C(=O)Nc1ccc3c(c1)C(=O)[N-]C3=O)CC2 ZINC000674419403 493414189 /nfs/dbraw/zinc/41/41/89/493414189.db2.gz FDYOQYKKQZEMKZ-UHFFFAOYSA-N -1 3 367.365 0.737 10 0 FCAEHM CC(C)OCCS(=O)(=O)[N-]CC(=O)Nc1cccc2cnncc21 ZINC000684844857 493434424 /nfs/dbraw/zinc/43/44/24/493434424.db2.gz HVQIMJQNGKGROO-UHFFFAOYSA-N -1 3 352.416 0.913 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NCc1cc(Cl)ccc1N1CCOCC1 ZINC000684985901 493441228 /nfs/dbraw/zinc/44/12/28/493441228.db2.gz LWCIMHILXCTXRD-UHFFFAOYSA-N -1 3 366.805 0.345 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)NCCO[C@H]2CC2(F)F)s1 ZINC000661680383 493457516 /nfs/dbraw/zinc/45/75/16/493457516.db2.gz NMBNZZYPJYKBHF-VIFPVBQESA-N -1 3 369.415 0.880 10 0 FCAEHM CN1CCC[C@@H]([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)C1 ZINC000675455226 493482422 /nfs/dbraw/zinc/48/24/22/493482422.db2.gz VPFNUSHNBQRDBT-SNVBAGLBSA-N -1 3 350.437 0.602 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@H](C)c2nccn2C)s1 ZINC000662096680 493487835 /nfs/dbraw/zinc/48/78/35/493487835.db2.gz TVOOIGLNDJKGGT-SECBINFHSA-N -1 3 357.461 0.950 10 0 FCAEHM Cc1cccc(OCCCNC(=O)CN2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1 ZINC000662220213 493497738 /nfs/dbraw/zinc/49/77/38/493497738.db2.gz VNXQIEQIQOLYTI-DNVCBOLYSA-N -1 3 362.426 0.913 10 0 FCAEHM CCOCc1nc([C@@H](C)[N-]S(=O)(=O)c2cccc(C(N)=O)c2)no1 ZINC000685603944 493505329 /nfs/dbraw/zinc/50/53/29/493505329.db2.gz NMOMRTUCQRKJEK-SECBINFHSA-N -1 3 354.388 0.745 10 0 FCAEHM CC(C)c1nc(S(=O)(=O)[N-][C@H]2CCC[C@H]2CNS(C)(=O)=O)c[nH]1 ZINC000669677557 493520837 /nfs/dbraw/zinc/52/08/37/493520837.db2.gz ZQCWHVIBEKRVRG-QWRGUYRKSA-N -1 3 364.493 0.529 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000662685031 493531379 /nfs/dbraw/zinc/53/13/79/493531379.db2.gz NTCXRYJTGZFTEN-OAHLLOKOSA-N -1 3 371.459 0.242 10 0 FCAEHM CCN1CC[C@@H](NS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1=O ZINC000669983900 493538999 /nfs/dbraw/zinc/53/89/99/493538999.db2.gz HIXDRBXDJPTQSA-LLVKDONJSA-N -1 3 370.822 0.419 10 0 FCAEHM CCN1CC[C@@H](NS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1=O ZINC000669983900 493539001 /nfs/dbraw/zinc/53/90/01/493539001.db2.gz HIXDRBXDJPTQSA-LLVKDONJSA-N -1 3 370.822 0.419 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC[C@@H]1CCCNC1=O ZINC000670430280 493565846 /nfs/dbraw/zinc/56/58/46/493565846.db2.gz OXSBUASBRAKVTK-QWRGUYRKSA-N -1 3 357.407 0.135 10 0 FCAEHM CC[C@H]1CCCCN1CCNC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663624139 493606259 /nfs/dbraw/zinc/60/62/59/493606259.db2.gz ORBMSAUCJOXWDI-GJZGRUSLSA-N -1 3 353.463 0.984 10 0 FCAEHM CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663631326 493607010 /nfs/dbraw/zinc/60/70/10/493607010.db2.gz YTZTVGGPUGEZTB-UONOGXRCSA-N -1 3 353.463 0.840 10 0 FCAEHM O=C([O-])[C@@H](CNC(=O)C(=O)N1CCC[C@H]1CN1CCCC1)C1CCC1 ZINC000663633358 493607487 /nfs/dbraw/zinc/60/74/87/493607487.db2.gz PGYNGOORQREDKS-GJZGRUSLSA-N -1 3 351.447 0.690 10 0 FCAEHM O=C([O-])[C@H](CNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1)C1CCC1 ZINC000663636071 493608101 /nfs/dbraw/zinc/60/81/01/493608101.db2.gz VMTCXKITPUBMLU-HUUCEWRRSA-N -1 3 351.447 0.690 10 0 FCAEHM CN1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)C1 ZINC000678033984 493631608 /nfs/dbraw/zinc/63/16/08/493631608.db2.gz IUSQJODULPLQFQ-NSHDSACASA-N -1 3 361.851 0.577 10 0 FCAEHM O=C(NCCN1C[C@@H]2CCCCN2C1=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000664438768 493659500 /nfs/dbraw/zinc/65/95/00/493659500.db2.gz NVSWSZXKXMYELQ-LBPRGKRZSA-N -1 3 371.397 0.982 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)N1CCc2nccnc2C1 ZINC000664500684 493663620 /nfs/dbraw/zinc/66/36/20/493663620.db2.gz DOQZBUFMZPSXDY-UHFFFAOYSA-N -1 3 367.456 0.584 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)N[C@H]1C[C@H](O)C12CCC2 ZINC000664500295 493663767 /nfs/dbraw/zinc/66/37/67/493663767.db2.gz AUSDWHSFOXYXHI-QWRGUYRKSA-N -1 3 359.473 0.629 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N(Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000679693356 493691548 /nfs/dbraw/zinc/69/15/48/493691548.db2.gz MAXWSVWTBFLXGV-NSHDSACASA-N -1 3 359.304 0.490 10 0 FCAEHM CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H](C(=O)[O-])C2CCC2)CC1 ZINC000665324067 493709505 /nfs/dbraw/zinc/70/95/05/493709505.db2.gz LDXVUVUJBNNYDG-GJZGRUSLSA-N -1 3 366.462 0.435 10 0 FCAEHM C[C@@H](NC(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1)c1ccc(-n2cncn2)cc1 ZINC000680603726 493725957 /nfs/dbraw/zinc/72/59/57/493725957.db2.gz PMYVKVOYKBRBKD-RISCZKNCSA-N -1 3 369.385 0.274 10 0 FCAEHM CCN1CCN(c2ccc(-c3noc(C[C@@H]4NC(=O)[N-]C4=O)n3)cn2)CC1 ZINC000680739950 493729334 /nfs/dbraw/zinc/72/93/34/493729334.db2.gz KCJORXRFCUGUQN-LBPRGKRZSA-N -1 3 371.401 0.024 10 0 FCAEHM C[C@]1(c2ccc(C(=O)NC3(CCO)CCOCC3)cc2)NC(=O)[N-]C1=O ZINC000680935107 493737667 /nfs/dbraw/zinc/73/76/67/493737667.db2.gz UGZKRMHBQDUGKL-QGZVFWFLSA-N -1 3 361.398 0.403 10 0 FCAEHM Cc1ccc2[n-]cc(C(=O)N(C)CCN3CCCS3(=O)=O)c(=O)c2c1 ZINC000672206028 493743238 /nfs/dbraw/zinc/74/32/38/493743238.db2.gz PSXKEDBJYUFJJC-UHFFFAOYSA-N -1 3 363.439 0.944 10 0 FCAEHM Cc1nnc([C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)[nH]1 ZINC000672327892 493757188 /nfs/dbraw/zinc/75/71/88/493757188.db2.gz FJGHZWRXUUFBMK-IUCAKERBSA-N -1 3 355.395 0.796 10 0 FCAEHM O=S(=O)([N-]C[C@@H]1CCS(=O)(=O)C1)c1cccnc1C(F)(F)F ZINC000672376386 493761780 /nfs/dbraw/zinc/76/17/80/493761780.db2.gz PLXIAEFENCZGLJ-QMMMGPOBSA-N -1 3 358.363 0.813 10 0 FCAEHM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)[N-][C@H]3CCCC3(F)F)cnc21 ZINC000672431195 493767782 /nfs/dbraw/zinc/76/77/82/493767782.db2.gz RBKUMUPZBMRNMZ-VIFPVBQESA-N -1 3 360.342 0.500 10 0 FCAEHM CN(C)c1nc(CN(C)[C@@H]2CCN(C(=O)C3=COCCC3)C2)cc(=O)[n-]1 ZINC000276383749 522331642 /nfs/dbraw/zinc/33/16/42/522331642.db2.gz JKWQJFYYEULYIF-OAHLLOKOSA-N -1 3 361.446 0.975 10 0 FCAEHM CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412291865 527962796 /nfs/dbraw/zinc/96/27/96/527962796.db2.gz SSRNZSPRQPLMAR-UWVGGRQHSA-N -1 3 350.371 0.781 10 0 FCAEHM CCC[C@H](O)[C@@H](CO)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000412531872 528286669 /nfs/dbraw/zinc/28/66/69/528286669.db2.gz ZBRSQQCKHWLHEZ-UHTWSYAYSA-N -1 3 362.423 0.131 10 0 FCAEHM CCn1cnc(S(=O)(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000443130507 536127129 /nfs/dbraw/zinc/12/71/29/536127129.db2.gz IWDSHFHSLRNAAH-UHFFFAOYSA-N -1 3 364.427 0.755 10 0 FCAEHM CN1C(=O)CC[C@H]([N-]S(=O)(=O)c2cccnc2C(F)(F)F)C1=O ZINC000425231689 536310168 /nfs/dbraw/zinc/31/01/68/536310168.db2.gz WDZMJIQJTFPINR-ZETCQYMHSA-N -1 3 351.306 0.526 10 0 FCAEHM COCCCOC1CN(C(=O)C(=O)[N-]c2sccc2C(=O)OC)C1 ZINC000441289291 536601756 /nfs/dbraw/zinc/60/17/56/536601756.db2.gz UKKWWXIBAGNJEA-UHFFFAOYSA-N -1 3 356.400 0.737 10 0 FCAEHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H]1CCC[C@H](C(N)=O)C1 ZINC000443110794 536725970 /nfs/dbraw/zinc/72/59/70/536725970.db2.gz CBXVWJZJWFYPGO-ONGXEEELSA-N -1 3 358.391 0.935 10 0 FCAEHM COC[C@@](C)(O)CCNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000452365274 536808620 /nfs/dbraw/zinc/80/86/20/536808620.db2.gz UKWJDDGTDRWGMV-LBPRGKRZSA-N -1 3 370.880 0.584 10 0 FCAEHM COC[C@@](C)(O)CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000452338251 536809925 /nfs/dbraw/zinc/80/99/25/536809925.db2.gz BJBYGEZYQREVKW-NHYWBVRUSA-N -1 3 362.423 0.396 10 0 FCAEHM COC(=O)c1conc1C(C)(C)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000425239922 536851989 /nfs/dbraw/zinc/85/19/89/536851989.db2.gz XSKAWZPLGVSLHE-UHFFFAOYSA-N -1 3 370.387 0.654 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCc2cncnc2C1 ZINC000329459840 546555370 /nfs/dbraw/zinc/55/53/70/546555370.db2.gz RVQGTYURRAPCEX-JTQLQIEISA-N -1 3 365.415 0.333 10 0 FCAEHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CCCc1ncn(C)n1 ZINC000592068582 546606494 /nfs/dbraw/zinc/60/64/94/546606494.db2.gz DOMOXTAOTKWUPI-UHFFFAOYSA-N -1 3 356.379 0.652 10 0 FCAEHM CCOC(=O)c1cc([N-]S(=O)(=O)C[C@@H](OC)C2CCOCC2)n[nH]1 ZINC000592353659 546629644 /nfs/dbraw/zinc/62/96/44/546629644.db2.gz CRYMXJKGWOLBNH-GFCCVEGCSA-N -1 3 361.420 0.770 10 0 FCAEHM CCOC(=O)Cn1cccc([N-]S(=O)(=O)C[C@H](OC)C2CC2)c1=O ZINC000592353805 546630029 /nfs/dbraw/zinc/63/00/29/546630029.db2.gz VSWDZWRSHXMNRP-ZDUSSCGKSA-N -1 3 358.416 0.578 10 0 FCAEHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]C(C)(C)c2cn(C)nn2)s1 ZINC000592385300 546636609 /nfs/dbraw/zinc/63/66/09/546636609.db2.gz TULJTXZYIUPNIN-UHFFFAOYSA-N -1 3 374.444 0.885 10 0 FCAEHM COC(=O)[C@H](CC(C)(C)C)NC(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000592834969 546669319 /nfs/dbraw/zinc/66/93/19/546669319.db2.gz OCVPHRZGKWJMEV-NSHDSACASA-N -1 3 374.463 0.101 10 0 FCAEHM CC[C@@H](CNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F)C(=O)OC ZINC000592859223 546671302 /nfs/dbraw/zinc/67/13/02/546671302.db2.gz ZEQXWGKXSSYECY-QWRGUYRKSA-N -1 3 360.407 0.808 10 0 FCAEHM COC(=O)CC[C@H]([N-]S(=O)(=O)[C@H]1CCO[C@H]1C)C(=O)OC(C)(C)C ZINC000593614548 546727271 /nfs/dbraw/zinc/72/72/71/546727271.db2.gz CYYKKANMIDYCIE-SRVKXCTJSA-N -1 3 365.448 0.747 10 0 FCAEHM COC(=O)[C@H](CCF)NC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000593795020 546751539 /nfs/dbraw/zinc/75/15/39/546751539.db2.gz KSQPWXCVUOQIEH-MEDUHNTESA-N -1 3 351.334 0.372 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)N1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593867157 546763002 /nfs/dbraw/zinc/76/30/02/546763002.db2.gz YUVDYZOHDLVGIM-WEVHURDZSA-N -1 3 360.432 0.226 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593867390 546763319 /nfs/dbraw/zinc/76/33/19/546763319.db2.gz IURNXNMJUQFAEW-VQXVYSPMSA-N -1 3 368.889 0.412 10 0 FCAEHM COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)[N-][C@H]1CCNC1=O ZINC000594789855 546824347 /nfs/dbraw/zinc/82/43/47/546824347.db2.gz GWZVUPDTPHPPRN-VIFPVBQESA-N -1 3 366.317 0.659 10 0 FCAEHM O=C(Cn1ccnc1)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000548919621 547065138 /nfs/dbraw/zinc/06/51/38/547065138.db2.gz QPSSXQXAVHAMGK-UHFFFAOYSA-N -1 3 360.798 0.770 10 0 FCAEHM CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)c1 ZINC000550114413 547079009 /nfs/dbraw/zinc/07/90/09/547079009.db2.gz FGNHXFSQGIYKLG-CYBMUJFWSA-N -1 3 363.443 0.999 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@H]1CCCCN1S(C)(=O)=O ZINC000552140306 547189806 /nfs/dbraw/zinc/18/98/06/547189806.db2.gz RUKWTAXPOOWFMO-LLVKDONJSA-N -1 3 351.450 0.384 10 0 FCAEHM COCc1ccccc1CS(=O)(=O)[N-][C@@H]1CC(=O)N(C(C)C)C1=O ZINC000553425903 547278508 /nfs/dbraw/zinc/27/85/08/547278508.db2.gz GJZCSJLWMKNAHC-CQSZACIVSA-N -1 3 354.428 0.788 10 0 FCAEHM COC(=O)CCc1nnc([N-]C(=O)c2nn(C)cc2Br)s1 ZINC000551315635 547364453 /nfs/dbraw/zinc/36/44/53/547364453.db2.gz GFNDZQRKGJTGTA-UHFFFAOYSA-N -1 3 374.220 1.392 10 0 FCAEHM CCOC(=O)Cc1nnc([N-]C(=O)c2ccc3c(n2)OCCO3)s1 ZINC000593998277 547370721 /nfs/dbraw/zinc/37/07/21/547370721.db2.gz FRTMPXPPHXPUJK-UHFFFAOYSA-N -1 3 350.356 1.062 10 0 FCAEHM C[C@@H](CCCO)[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866946941 665237164 /nfs/dbraw/zinc/23/71/64/665237164.db2.gz IAEGUFOLKYZMRZ-ZETCQYMHSA-N -1 3 373.216 0.464 10 0 FCAEHM C[C@@H](CCO)[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866851103 663145380 /nfs/dbraw/zinc/14/53/80/663145380.db2.gz HRDBJDBDEBMMEW-LURJTMIESA-N -1 3 359.189 0.074 10 0 FCAEHM C[C@H](Cn1cncn1)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000160465096 663337801 /nfs/dbraw/zinc/33/78/01/663337801.db2.gz BQTYYHABOOCQAL-SNVBAGLBSA-N -1 3 367.406 0.676 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cnn(C)c1I)[C@H](C)CO ZINC000866855653 663466588 /nfs/dbraw/zinc/46/65/88/663466588.db2.gz RNCUQEXFKWQRJF-RNFRBKRXSA-N -1 3 373.216 0.320 10 0 FCAEHM COC(=O)c1ccoc1S(=O)(=O)[N-]C[C@H](C(C)C)N1CCN(C)CC1 ZINC000866873640 663508367 /nfs/dbraw/zinc/50/83/67/663508367.db2.gz VFXPIZMSRXEXNS-CQSZACIVSA-N -1 3 373.475 0.617 10 0 FCAEHM CCN1CCN(C[C@H](C)C[N-]S(=O)(=O)c2occc2C(=O)OC)CC1 ZINC000866874017 663511524 /nfs/dbraw/zinc/51/15/24/663511524.db2.gz JSZZENTZCVTECY-CYBMUJFWSA-N -1 3 373.475 0.618 10 0 FCAEHM O=C(NCCS(=O)(=O)N1CCOCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000052054441 663543013 /nfs/dbraw/zinc/54/30/13/663543013.db2.gz HWMRAGUEZPAWSE-UHFFFAOYSA-N -1 3 365.411 0.332 10 0 FCAEHM O=C(C[N-]S(=O)(=O)C1CCS(=O)(=O)CC1)OCc1ccccc1 ZINC000725818700 663631783 /nfs/dbraw/zinc/63/17/83/663631783.db2.gz ULCQXIVSXLCIKB-UHFFFAOYSA-N -1 3 361.441 0.226 10 0 FCAEHM CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]CC(F)(F)CN)c1 ZINC000186992418 664232315 /nfs/dbraw/zinc/23/23/15/664232315.db2.gz JKNGPZURLFRNAB-UHFFFAOYSA-N -1 3 355.794 0.914 10 0 FCAEHM COC(=O)CC1([N-]S(=O)(=O)c2cn(C)nc2Br)CC1 ZINC000867457190 665166857 /nfs/dbraw/zinc/16/68/57/665166857.db2.gz DYDRLZHVEVQECQ-UHFFFAOYSA-N -1 3 352.210 0.557 10 0 FCAEHM CCON(CC)C(=O)C[N-]S(=O)(=O)c1cnn(C)c1Br ZINC000867555592 665222944 /nfs/dbraw/zinc/22/29/44/665222944.db2.gz MZXUVNFDGKOAKF-UHFFFAOYSA-N -1 3 369.241 0.261 10 0 FCAEHM COC(=O)C[C@H]([N-]S(=O)(=O)c1cn(C)nc1Br)C1CC1 ZINC000866942428 665223044 /nfs/dbraw/zinc/22/30/44/665223044.db2.gz SKLNQVZGABVDOM-QMMMGPOBSA-N -1 3 366.237 0.803 10 0 FCAEHM C[C@H]1CN(C2CC2)C[C@H]1[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000866952846 665241854 /nfs/dbraw/zinc/24/18/54/665241854.db2.gz CQKIGSNTTVCTJT-WCBMZHEXSA-N -1 3 363.281 0.944 10 0 FCAEHM CO[C@@]1(C[N-]S(=O)(=O)c2cc(C)c(F)cc2F)CCS(=O)(=O)C1 ZINC000921465476 666448993 /nfs/dbraw/zinc/44/89/93/666448993.db2.gz HOIKEOMPDKOGDD-CYBMUJFWSA-N -1 3 369.411 0.755 10 0 FCAEHM CO[C@]1(C[N-]S(=O)(=O)c2cc(F)ccc2Cl)CCS(=O)(=O)C1 ZINC000921466281 666449379 /nfs/dbraw/zinc/44/93/79/666449379.db2.gz XOUYZSSLYMISGJ-LBPRGKRZSA-N -1 3 371.839 0.961 10 0 FCAEHM CC[S@@](=O)CCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000733878058 666939881 /nfs/dbraw/zinc/93/98/81/666939881.db2.gz FCYYFSGOPIDYJC-JOCHJYFZSA-N -1 3 362.448 0.765 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cnn2c1OCC(C)(C)C2)[C@@H](O)C(F)(F)F ZINC000918822424 667136929 /nfs/dbraw/zinc/13/69/29/667136929.db2.gz RAIARUISQMBXBU-IONNQARKSA-N -1 3 357.354 0.892 10 0 FCAEHM Cc1cc(S(=O)(=O)[N-][C@@H](CO)CN2CCOCC2)c(F)cc1F ZINC000918980960 667145952 /nfs/dbraw/zinc/14/59/52/667145952.db2.gz OQADWDHOCGQJHF-LLVKDONJSA-N -1 3 350.387 0.245 10 0 FCAEHM O=S(=O)([N-][C@@H](CO)CN1CCOCC1)c1cc(F)ccc1Cl ZINC000918988610 667149171 /nfs/dbraw/zinc/14/91/71/667149171.db2.gz LMLSHEPMCAHRNB-LLVKDONJSA-N -1 3 352.815 0.451 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CC2CCC(S(C)(=O)=O)CC2)nc1Cl ZINC000920809587 667256712 /nfs/dbraw/zinc/25/67/12/667256712.db2.gz APQQEOAQCUXLSX-UHFFFAOYSA-N -1 3 369.896 0.955 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CC[C@H]2CC(=O)N(C)C2)c(Br)n1 ZINC000921047194 667265632 /nfs/dbraw/zinc/26/56/32/667265632.db2.gz DXUXKQHMMHCOQI-QMMMGPOBSA-N -1 3 365.253 0.329 10 0 FCAEHM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]CC1(O)Cc2ccccc2C1 ZINC000751430669 667465217 /nfs/dbraw/zinc/46/52/17/667465217.db2.gz WEURKUBMARCTNX-UHFFFAOYSA-N -1 3 365.411 0.313 10 0 FCAEHM COC(=O)CCN(C)S(=O)(=O)NCCc1c(F)cc([O-])cc1F ZINC000921964752 667555088 /nfs/dbraw/zinc/55/50/88/667555088.db2.gz FNEAWJMGHUALDO-UHFFFAOYSA-N -1 3 352.359 0.542 10 0 FCAEHM COc1ccc(COC(=O)c2ccc(S(=O)(=O)[N-]CCO)s2)cn1 ZINC000754502677 667599157 /nfs/dbraw/zinc/59/91/57/667599157.db2.gz WEVBXTPVZCZHBQ-UHFFFAOYSA-N -1 3 372.424 0.779 10 0 FCAEHM Cn1ncc(C[N-]S(=O)(=O)c2ccc(C(=O)N3CCCC3)c(F)c2)n1 ZINC000805103124 667687461 /nfs/dbraw/zinc/68/74/61/667687461.db2.gz ZRKBBODSUNIWKH-UHFFFAOYSA-N -1 3 367.406 0.669 10 0 FCAEHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@]2(CCO)CCOC2)c1 ZINC000759768455 667819785 /nfs/dbraw/zinc/81/97/85/667819785.db2.gz GWWFMXIDHVJRRW-HNNXBMFYSA-N -1 3 361.391 0.680 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)O[C@H]2CC[C@H](S(C)(=O)=O)C2)c(C)o1 ZINC000761244624 667883534 /nfs/dbraw/zinc/88/35/34/667883534.db2.gz VBVDQHRTOVBJJJ-UWVGGRQHSA-N -1 3 365.429 0.619 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN3C(=O)OCC[C@H]3C2)c(C)o1 ZINC000764257199 667979300 /nfs/dbraw/zinc/97/93/00/667979300.db2.gz PPSJTCPOTGCFLJ-JTQLQIEISA-N -1 3 357.388 0.163 10 0 FCAEHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)O[C@@H]2CC(=O)N(C)C2)cc1 ZINC000764738088 667992239 /nfs/dbraw/zinc/99/22/39/667992239.db2.gz MQBDGTVKZZPORA-CQSZACIVSA-N -1 3 370.427 0.989 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-]Cc2ncc[nH]2)c1I ZINC000867012116 668003665 /nfs/dbraw/zinc/00/36/65/668003665.db2.gz AOIGIQRRJZLXOT-UHFFFAOYSA-N -1 3 367.172 0.226 10 0 FCAEHM C[C@H](CO[N-]C(=O)C[C@@H]1CCS(=O)(=O)C1)NC(=O)OC(C)(C)C ZINC000767162691 668046251 /nfs/dbraw/zinc/04/62/51/668046251.db2.gz XYNLXXQHBJVVOK-MNOVXSKESA-N -1 3 350.437 0.772 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)O[C@H]1CCCNC1=O ZINC000767311700 668049530 /nfs/dbraw/zinc/04/95/30/668049530.db2.gz LVDROFPKMRWOJN-ZETCQYMHSA-N -1 3 352.821 0.502 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)OCC(=O)Nc1cccc(C)c1 ZINC000767375095 668050810 /nfs/dbraw/zinc/05/08/10/668050810.db2.gz RYISEXGGRSHJBU-UHFFFAOYSA-N -1 3 358.416 0.433 10 0 FCAEHM O=C(c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)N1CCOC[C@H]1CCO ZINC000769064672 668113246 /nfs/dbraw/zinc/11/32/46/668113246.db2.gz YPJSQHZJEBGRHI-CYBMUJFWSA-N -1 3 372.418 0.490 10 0 FCAEHM CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)OCCn1nc2ccccn2c1=O ZINC000770105966 668172555 /nfs/dbraw/zinc/17/25/55/668172555.db2.gz YNVGXECSVPAXQW-LBPRGKRZSA-N -1 3 370.431 0.003 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(C(=O)NCC[S@@](=O)CC)CC2)n[n-]1 ZINC000770682017 668210140 /nfs/dbraw/zinc/21/01/40/668210140.db2.gz LQCLZRSECDWSCK-VWLOTQADSA-N -1 3 371.463 0.639 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(C(=O)NCC[S@@](=O)CC)CC2)[n-]1 ZINC000770682017 668210145 /nfs/dbraw/zinc/21/01/45/668210145.db2.gz LQCLZRSECDWSCK-VWLOTQADSA-N -1 3 371.463 0.639 10 0 FCAEHM NC(=O)C1=NO[C@@H](C[N-]S(=O)(=O)c2cnccc2C(F)(F)F)C1 ZINC000795173015 669018030 /nfs/dbraw/zinc/01/80/30/669018030.db2.gz DCONESGORLDCST-ZCFIWIBFSA-N -1 3 352.294 0.009 10 0 FCAEHM CC(=O)N1CSC[C@H]1C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000799021221 669275620 /nfs/dbraw/zinc/27/56/20/669275620.db2.gz QXFWFZMRPFDLHN-NSHDSACASA-N -1 3 367.393 0.825 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCN(C(C)=O)C2)ccc1F ZINC000808267435 669554649 /nfs/dbraw/zinc/55/46/49/669554649.db2.gz FOZSMKCSWZEFNH-NSHDSACASA-N -1 3 357.407 0.332 10 0 FCAEHM COCC[C@H](COC)[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC ZINC000810092994 669664285 /nfs/dbraw/zinc/66/42/85/669664285.db2.gz BLKFXXKAOCYSAS-SECBINFHSA-N -1 3 366.823 0.851 10 0 FCAEHM CN1CC[C@H](C(=O)OCc2cc(=O)[n-]c(-c3ccccc3)n2)S1(=O)=O ZINC000830153107 669757863 /nfs/dbraw/zinc/75/78/63/669757863.db2.gz QRFUNGYAGDKNER-CYBMUJFWSA-N -1 3 363.395 0.926 10 0 FCAEHM COC(=O)[C@H](CF)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000813691181 669849220 /nfs/dbraw/zinc/84/92/20/669849220.db2.gz URYABMJKTBQKDL-NSHDSACASA-N -1 3 364.370 0.753 10 0 FCAEHM O=S(=O)([N-]C[C@H]1CS(=O)(=O)c2ccccc21)c1c[nH]nc1Cl ZINC000831729503 669864332 /nfs/dbraw/zinc/86/43/32/669864332.db2.gz VZRPUAKBIGSGCA-QMMMGPOBSA-N -1 3 361.832 0.913 10 0 FCAEHM CNC(=O)[C@H](CO)[N-]S(=O)(=O)Cc1cc(C)ccc1Br ZINC000867107605 669941399 /nfs/dbraw/zinc/94/13/99/669941399.db2.gz QBYRDXMBTYFKGC-NSHDSACASA-N -1 3 365.249 0.284 10 0 FCAEHM COCCN1CC[C@H]([N-]S(=O)(=O)c2cn(C)nc2Br)C1 ZINC000867147728 670020239 /nfs/dbraw/zinc/02/02/39/670020239.db2.gz KPFXMSOPIWCPGC-VIFPVBQESA-N -1 3 367.269 0.182 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@H]2CCN(C)C(=O)C2)c(Br)n1 ZINC000867192865 670059692 /nfs/dbraw/zinc/05/96/92/670059692.db2.gz ADUYJSNGLIRTEN-ZETCQYMHSA-N -1 3 351.226 0.082 10 0 FCAEHM O=C(OC[C@H]1COCCO1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000837416926 670106219 /nfs/dbraw/zinc/10/62/19/670106219.db2.gz ZDMZGZAADUOIBI-GFCCVEGCSA-N -1 3 359.375 0.839 10 0 FCAEHM CC(C)n1ncnc1C[N-]S(=O)(=O)c1cnn(C)c1Br ZINC000867273838 670611216 /nfs/dbraw/zinc/61/12/16/670611216.db2.gz DTEWRAYBENYYMM-UHFFFAOYSA-N -1 3 363.241 0.834 10 0 FCAEHM Cc1nccnc1CC[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867311845 670756885 /nfs/dbraw/zinc/75/68/85/670756885.db2.gz WXWHKTGVFPYMGT-UHFFFAOYSA-N -1 3 360.237 0.802 10 0 FCAEHM CC(C)(C)OC(=O)COCC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000843833852 670861557 /nfs/dbraw/zinc/86/15/57/670861557.db2.gz XKHVQRFDKDNUBQ-UHFFFAOYSA-N -1 3 352.387 0.597 10 0 FCAEHM CC1(C(N)=O)CN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C1 ZINC000843938928 670871335 /nfs/dbraw/zinc/87/13/35/670871335.db2.gz GBLAFMQNCXINNJ-UHFFFAOYSA-N -1 3 355.391 0.214 10 0 FCAEHM C[C@H]1C(=O)N(C)CN1C(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000844101833 670895963 /nfs/dbraw/zinc/89/59/63/670895963.db2.gz CUNNVUWTIRTPRB-QMMMGPOBSA-N -1 3 373.381 0.666 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]C[C@]2(C)CCC(=O)N2)c(Br)n1 ZINC000867376363 670957220 /nfs/dbraw/zinc/95/72/20/670957220.db2.gz AQXYOPCPUXDFEU-JTQLQIEISA-N -1 3 351.226 0.130 10 0 FCAEHM Cn1nccc1[C@H]1COCCN1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000845125051 670967401 /nfs/dbraw/zinc/96/74/01/670967401.db2.gz KUEIZSSVGMIQST-SECBINFHSA-N -1 3 359.312 0.840 10 0 FCAEHM CS(=O)(=O)c1cc(S(=O)(=O)[N-][C@H]2C[C@@H](C(N)=O)C2)c(Cl)s1 ZINC000845985910 671061531 /nfs/dbraw/zinc/06/15/31/671061531.db2.gz BPLAQDJSWYUKPL-OLQVQODUSA-N -1 3 372.877 0.347 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)ccc1F ZINC000846558893 671126655 /nfs/dbraw/zinc/12/66/55/671126655.db2.gz JDNXXSCLKXUHLJ-HDODXQBNSA-N -1 3 374.459 0.858 10 0 FCAEHM CO[C@@H](C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)[C@H]1CCOC1 ZINC000847098099 671171452 /nfs/dbraw/zinc/17/14/52/671171452.db2.gz KLACLGRTKYKHQK-NWDGAFQWSA-N -1 3 352.353 0.955 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000849450979 671348184 /nfs/dbraw/zinc/34/81/84/671348184.db2.gz DPYYBRNBCGJILF-APPZFPTMSA-N -1 3 355.869 0.626 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)OC[C@@H](OC)[C@@H]2CCOC2)ccc1F ZINC000849739373 671361366 /nfs/dbraw/zinc/36/13/66/671361366.db2.gz AYPDTYASBIPWSK-DGCLKSJQSA-N -1 3 361.391 0.942 10 0 FCAEHM Cn1[n-]c(CN[C@@H]2Cc3ccccc3N(C(=O)C(F)(F)F)C2)nc1=O ZINC000852451818 671508137 /nfs/dbraw/zinc/50/81/37/671508137.db2.gz PTXTUBZSMYGGEO-SNVBAGLBSA-N -1 3 355.320 0.718 10 0 FCAEHM C[C@H](CC(=O)N1CCC12COC2)[N-]S(=O)(=O)c1cccnc1Cl ZINC000854837710 671607613 /nfs/dbraw/zinc/60/76/13/671607613.db2.gz PIZDTLVEMRDUQW-SNVBAGLBSA-N -1 3 359.835 0.793 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)CCN(C)C(=O)OC)ccc1F ZINC000855890033 671667918 /nfs/dbraw/zinc/66/79/18/671667918.db2.gz ZIVUSQGJSIAOQX-UHFFFAOYSA-N -1 3 361.395 0.504 10 0 FCAEHM CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3cc4c(cc3[O-])OCO4)C[C@H]21 ZINC000855958827 671672265 /nfs/dbraw/zinc/67/22/65/671672265.db2.gz NMJXQYRFRYQRLJ-FZZIBODNSA-N -1 3 355.368 0.005 10 0 FCAEHM CCS(=O)(=O)c1ccc(CC(=O)[N-]OCCN2CCCC2=O)cc1 ZINC000856039592 671675486 /nfs/dbraw/zinc/67/54/86/671675486.db2.gz BDBHRLPLWWIHCD-UHFFFAOYSA-N -1 3 354.428 0.693 10 0 FCAEHM COC(=O)C1CC2(C1)CN(CC(=O)N1CCC[C@@H](C)C1)C[C@H]2C(=O)[O-] ZINC000903413956 675929353 /nfs/dbraw/zinc/92/93/53/675929353.db2.gz CGTPGOGETXQRSV-VUULHSHRSA-N -1 3 352.431 0.831 10 0 FCAEHM O=C(NN1CC(=O)[N-]C1=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000858542510 671766656 /nfs/dbraw/zinc/76/66/56/671766656.db2.gz LKSIVSBGHIXKGQ-XXILOJSOSA-N -1 3 350.172 0.918 10 0 FCAEHM CON(C)C(=O)[C@H](CCSC)[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1 ZINC000859069539 671791635 /nfs/dbraw/zinc/79/16/35/671791635.db2.gz QOHPJLZCSXORLT-QWRGUYRKSA-N -1 3 354.494 0.615 10 0 FCAEHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]C[C@@H](O)[C@@H]1CCCO1 ZINC000859284410 671809177 /nfs/dbraw/zinc/80/91/77/671809177.db2.gz NMUPDGGIUZIAAD-BDAKNGLRSA-N -1 3 364.807 0.340 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCCCc2ncnn2C)ccc1F ZINC000862088378 672026170 /nfs/dbraw/zinc/02/61/70/672026170.db2.gz QJRKRIHUTCWNQU-UHFFFAOYSA-N -1 3 355.395 0.225 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@](OC)(C(=O)OC)C2)ccc1F ZINC000862740499 672076272 /nfs/dbraw/zinc/07/62/72/672076272.db2.gz IQGYHKIGOHSWNX-HNNXBMFYSA-N -1 3 374.390 0.138 10 0 FCAEHM NC(=O)[C@H]1C[C@H](NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C1 ZINC000862819673 672079654 /nfs/dbraw/zinc/07/96/54/672079654.db2.gz VOSDBIDXMDVIFY-HOMQSWHASA-N -1 3 355.391 0.260 10 0 FCAEHM O=C([N-]C[C@H](n1cccn1)C(F)(F)F)C(F)(F)C(=O)N1CCOCC1 ZINC000863493566 672131516 /nfs/dbraw/zinc/13/15/16/672131516.db2.gz LNYLBCAWINRKOX-VIFPVBQESA-N -1 3 370.278 0.597 10 0 FCAEHM CC[S@](C)(=O)=NS(=O)(=O)[N-]Cc1ccccc1N1CCOCC1 ZINC000866583823 672283585 /nfs/dbraw/zinc/28/35/85/672283585.db2.gz WGDOMJSPJDIYBF-QFIPXVFZSA-N -1 3 361.489 0.975 10 0 FCAEHM CS(C)(=O)=NS(=O)(=O)[N-]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000866588629 672283622 /nfs/dbraw/zinc/28/36/22/672283622.db2.gz YTPNEFHJSKEYTD-UHFFFAOYSA-N -1 3 369.468 0.959 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CCOC[C@H]2CCCO2)c(Br)n1 ZINC000866793025 672306550 /nfs/dbraw/zinc/30/65/50/672306550.db2.gz DOKJSYSSHPQYAC-SECBINFHSA-N -1 3 368.253 0.657 10 0 FCAEHM COC(=O)C1=CC[C@@H]([N-]S(=O)(=O)c2cnn(C)c2Br)C1 ZINC000867556726 672336359 /nfs/dbraw/zinc/33/63/59/672336359.db2.gz GJUQYICIJLBLJT-MRVPVSSYSA-N -1 3 364.221 0.723 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CCOCC(=O)OC(C)(C)C)nc1Cl ZINC000867605876 672347125 /nfs/dbraw/zinc/34/71/25/672347125.db2.gz ZUQWUFLBKWCIGZ-UHFFFAOYSA-N -1 3 353.828 0.710 10 0 FCAEHM O=C1OC[C@]2(C[N-]S(=O)(=O)c3cnc(Cl)c(F)c3)COCCN12 ZINC000867748460 672362465 /nfs/dbraw/zinc/36/24/65/672362465.db2.gz HBYFJHUTKLQNIT-LBPRGKRZSA-N -1 3 365.770 0.374 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]C[C@]23COC(=O)N2CCOC3)c(F)c1F ZINC000867749325 672362791 /nfs/dbraw/zinc/36/27/91/672362791.db2.gz GMJOQDMRBFJJOQ-AWEZNQCLSA-N -1 3 362.354 0.773 10 0 FCAEHM CN1CCO[C@@H](CS(=O)(=O)[N-]Cc2ncc(Br)s2)C1 ZINC000867864186 672374775 /nfs/dbraw/zinc/37/47/75/672374775.db2.gz QBHKTZCRLDVAJB-MRVPVSSYSA-N -1 3 370.294 0.656 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCC[C@H]1CCSC1 ZINC000869611662 672442588 /nfs/dbraw/zinc/44/25/88/672442588.db2.gz DBZSUJNXZMAHJC-QMMMGPOBSA-N -1 3 362.249 0.971 10 0 FCAEHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H]1CNOC1 ZINC000923722201 673738524 /nfs/dbraw/zinc/73/85/24/673738524.db2.gz NJERKOJWJJZILG-ZCFIWIBFSA-N -1 3 355.185 0.779 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@H]2CCCN3CCSC[C@H]23)cn1 ZINC000928075755 673898407 /nfs/dbraw/zinc/89/84/07/673898407.db2.gz OWUSXYPKEGYTQZ-CHWSQXEVSA-N -1 3 370.500 0.763 10 0 FCAEHM COc1cc(C(=O)OC[C@H]2CCN(S(C)(=O)=O)C2)cc(OC)c1[O-] ZINC000801294302 675768963 /nfs/dbraw/zinc/76/89/63/675768963.db2.gz RDAPVPCQQWXMSK-JTQLQIEISA-N -1 3 359.400 0.848 10 0 FCAEHM CCN1CC[C@H](NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C1=O ZINC000801785118 675808181 /nfs/dbraw/zinc/80/81/81/675808181.db2.gz BELKOGYWHVAOFI-ZDUSSCGKSA-N -1 3 369.418 0.617 10 0 FCAEHM CC[C@@H](CNC(=O)[C@@H]1CCO[C@H]1C1CC1)NC(=O)c1c(C)nc[n-]c1=O ZINC001746184718 1192332290 /nfs/dbraw/zinc/33/22/90/1192332290.db2.gz DMXCNWDFGDPPSE-GUTXKFCHSA-N -1 3 362.430 0.930 10 0 FCAEHM CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)NC(=O)c1cnc[n-]c1=O ZINC001746203128 1192339055 /nfs/dbraw/zinc/33/90/55/1192339055.db2.gz DKUCILAAMLPNDY-QJPTWQEYSA-N -1 3 358.402 0.344 10 0 FCAEHM CCOc1ccc(-n2ncc(C(=O)NN=c3nc(OC)cc[n-]3)c2C)nn1 ZINC000046364895 1169655582 /nfs/dbraw/zinc/65/55/82/1169655582.db2.gz FCURSRAEEJACLZ-UHFFFAOYSA-N -1 3 370.373 0.925 10 0 FCAEHM Cc1nc(C)c(CC(=O)N[C@H]2CCN(C(=O)COC(C)C)[C@@H]2C)c(=O)[n-]1 ZINC001719614302 1170364033 /nfs/dbraw/zinc/36/40/33/1170364033.db2.gz VTNHXUATSXUPPM-DOMZBBRYSA-N -1 3 364.446 0.872 10 0 FCAEHM C[C@H](CNC(=O)[C@]12CCC[C@H]1OCC2)NCc1cc(=O)n2[n-]ccc2n1 ZINC001266957548 1171083196 /nfs/dbraw/zinc/08/31/96/1171083196.db2.gz SQLYUFDVXBMUCZ-DFHBCGBQSA-N -1 3 359.430 0.576 10 0 FCAEHM Cc1noc(CCC(=O)N[C@H]2CCN(C(=O)c3cnc[n-]c3=O)[C@@H]2C)n1 ZINC001719633698 1171083627 /nfs/dbraw/zinc/08/36/27/1171083627.db2.gz AMOGTIDUCMZFQJ-SKDRFNHKSA-N -1 3 360.374 0.226 10 0 FCAEHM C[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1CCNC(=O)c1cnc[n-]c1=O ZINC001719759275 1179900757 /nfs/dbraw/zinc/90/07/57/1179900757.db2.gz CYGUXXLLXPODEL-YXRJLALLSA-N -1 3 360.414 0.289 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CCNC(=O)Cc1ncc[nH]1 ZINC001719770969 1179948244 /nfs/dbraw/zinc/94/82/44/1179948244.db2.gz RZQMPEDONYLENP-VXGBXAGGSA-N -1 3 358.402 0.362 10 0 FCAEHM C[C@H](CNCc1nc(=O)n(C)[n-]1)N(C)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001268098228 1186387232 /nfs/dbraw/zinc/38/72/32/1186387232.db2.gz OLLCKFAZXZONGE-BYCMXARLSA-N -1 3 361.421 0.988 10 0 FCAEHM CCOc1nnc(NC(=O)CNC(=O)c2ccc(Br)o2)[n-]1 ZINC000228775900 1186688948 /nfs/dbraw/zinc/68/89/48/1186688948.db2.gz DAMPGIAOTJOPFY-UHFFFAOYSA-N -1 3 358.152 0.927 10 0 FCAEHM CCOc1nc(NC(=O)CNC(=O)c2ccc(Br)o2)n[n-]1 ZINC000228775900 1186688954 /nfs/dbraw/zinc/68/89/54/1186688954.db2.gz DAMPGIAOTJOPFY-UHFFFAOYSA-N -1 3 358.152 0.927 10 0 FCAEHM CCOc1n[n-]c(NC(=O)CNC(=O)c2ccc(Br)o2)n1 ZINC000228775900 1186688957 /nfs/dbraw/zinc/68/89/57/1186688957.db2.gz DAMPGIAOTJOPFY-UHFFFAOYSA-N -1 3 358.152 0.927 10 0 FCAEHM C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(Cc3nnn[n-]3)cc2)C1=O ZINC000473896553 1188334318 /nfs/dbraw/zinc/33/43/18/1188334318.db2.gz QSJGJMPZRVUJDS-KRWDZBQOSA-N -1 3 369.385 0.450 10 0 FCAEHM C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(Cc3nn[n-]n3)cc2)C1=O ZINC000473896553 1188334321 /nfs/dbraw/zinc/33/43/21/1188334321.db2.gz QSJGJMPZRVUJDS-KRWDZBQOSA-N -1 3 369.385 0.450 10 0 FCAEHM Nc1nccc([C@H]2CCCN(C(=O)c3ccc4c(c3)C(=O)[N-]C4=O)C2)n1 ZINC000552548313 1193941033 /nfs/dbraw/zinc/94/10/33/1193941033.db2.gz PUWGYPBMUIONIL-NSHDSACASA-N -1 3 351.366 0.962 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000898733568 1194071772 /nfs/dbraw/zinc/07/17/72/1194071772.db2.gz HVIQDIWTWHRDHA-CMPLNLGQSA-N -1 3 364.352 0.946 10 0 FCAEHM CC1(C)CN(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)[C@@H]2COC[C@H]2O1 ZINC000898807347 1194078358 /nfs/dbraw/zinc/07/83/58/1194078358.db2.gz KZUWKESWNVEYRM-YNEHKIRRSA-N -1 3 363.418 0.349 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC001168401792 1196557367 /nfs/dbraw/zinc/55/73/67/1196557367.db2.gz AYNIJXQXXHZVKJ-AWEZNQCLSA-N -1 3 355.398 0.793 10 0 FCAEHM COc1ccc(N2C[C@H](C(=O)NCCCc3c[n-][nH]c3=O)CC2=O)cc1 ZINC001168406209 1196744478 /nfs/dbraw/zinc/74/44/78/1196744478.db2.gz YHXGBRJRQLRENB-QWHCGFSZSA-N -1 3 358.398 0.676 10 0 FCAEHM CNC(=O)c1cncc(/C=C\C(=O)NCCNC(=O)c2ccc([O-])cc2)c1 ZINC000761966039 1197875291 /nfs/dbraw/zinc/87/52/91/1197875291.db2.gz ZCJDGRPVLMBDDP-UQCOIBPSSA-N -1 3 368.393 0.706 10 0 FCAEHM C[C@@H](CO[N-]C(=O)CCCN1C(=O)CN(C)C1=O)NC(=O)OC(C)(C)C ZINC000767175886 1199113308 /nfs/dbraw/zinc/11/33/08/1199113308.db2.gz CLNXIMISYWDFNK-NSHDSACASA-N -1 3 372.422 0.622 10 0 FCAEHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1ccc(CN2CCOCC2)cn1 ZINC000811187576 1202961708 /nfs/dbraw/zinc/96/17/08/1202961708.db2.gz UHFLBWXTMFPNAW-UHFFFAOYSA-N -1 3 370.335 0.981 10 0 FCAEHM O=C(c1ccc(N2NC(=O)CCC2=O)cc1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001144502923 1204542484 /nfs/dbraw/zinc/54/24/84/1204542484.db2.gz PUZNRSOURPJUJO-LBPRGKRZSA-N -1 3 369.381 0.903 10 0 FCAEHM CC(=O)N1CC[C@@H](CNC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])C1 ZINC000846172128 1204594975 /nfs/dbraw/zinc/59/49/75/1204594975.db2.gz WTJNAJYRVUFDNX-LBPRGKRZSA-N -1 3 374.372 0.472 10 0 FCAEHM CC(=O)N1CC[C@@H](CNC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)C1 ZINC000846172128 1204594977 /nfs/dbraw/zinc/59/49/77/1204594977.db2.gz WTJNAJYRVUFDNX-LBPRGKRZSA-N -1 3 374.372 0.472 10 0 FCAEHM CCON(C)C(=O)CNC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000846505159 1204634116 /nfs/dbraw/zinc/63/41/16/1204634116.db2.gz TWVTZPBDQGOECW-UHFFFAOYSA-N -1 3 373.413 0.599 10 0 FCAEHM CC1=C(C(=O)N2CCC(Cc3nnn[n-]3)CC2)[C@@H](C)n2ncnc2N1C ZINC001176779912 1206319941 /nfs/dbraw/zinc/31/99/41/1206319941.db2.gz CPCQWDZZYIZJGD-LLVKDONJSA-N -1 3 357.422 0.557 10 0 FCAEHM CC1=C(C(=O)N2CCC(Cc3nn[n-]n3)CC2)[C@@H](C)n2ncnc2N1C ZINC001176779912 1206319944 /nfs/dbraw/zinc/31/99/44/1206319944.db2.gz CPCQWDZZYIZJGD-LLVKDONJSA-N -1 3 357.422 0.557 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)[C@@H](C)NC(=O)c3ccoc3)CC2)n1 ZINC001178039590 1206352035 /nfs/dbraw/zinc/35/20/35/1206352035.db2.gz ZZXUDCYOYLOBDE-GFCCVEGCSA-N -1 3 359.386 0.551 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)c3cccn4c(=O)[nH]nc34)CC2)n1 ZINC001178039447 1206352179 /nfs/dbraw/zinc/35/21/79/1206352179.db2.gz UOLQNRVVLIVDAG-UHFFFAOYSA-N -1 3 355.358 0.201 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccnc(-n2cccn2)c1 ZINC001180027227 1206387931 /nfs/dbraw/zinc/38/79/31/1206387931.db2.gz GYEPGYMQRDAOPO-ZDUSSCGKSA-N -1 3 351.370 0.772 10 0 FCAEHM NC(=O)[C@]1(c2ccccc2)CCN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC001183694430 1206458463 /nfs/dbraw/zinc/45/84/63/1206458463.db2.gz PNFWKQLONONHIN-HXUWFJFHSA-N -1 3 363.373 0.839 10 0 FCAEHM CCn1c(C)cc2n[n-]c(NC(=O)[C@@H](NC(=O)COC)C(C)C)c2c1=O ZINC001183781784 1206460634 /nfs/dbraw/zinc/46/06/34/1206460634.db2.gz WYVXTJKVYONEPE-AWEZNQCLSA-N -1 3 363.418 0.779 10 0 FCAEHM CC(C)[C@@H](CCNC(=O)c1cnc[n-]c1=O)NC(=O)[C@H]1OCCO[C@H]1C ZINC001487606618 1208385660 /nfs/dbraw/zinc/38/56/60/1208385660.db2.gz RHOVRIGCQQSAFA-YUTCNCBUSA-N -1 3 366.418 0.247 10 0 FCAEHM CN(C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1C(C)(C)C)C(=O)c1cnc[n-]c1=O ZINC001488433873 1208521949 /nfs/dbraw/zinc/52/19/49/1208521949.db2.gz BBSFWOGVYZADIG-OUCADQQQSA-N -1 3 364.446 0.756 10 0 FCAEHM O=C(NCCC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1)c1cnc[n-]c1=O ZINC001489073016 1208619686 /nfs/dbraw/zinc/61/96/86/1208619686.db2.gz DJHVOXNEYWSHBK-VXGBXAGGSA-N -1 3 370.413 0.725 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)C(C)(C)C(N)=O)CCN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001489268898 1208708200 /nfs/dbraw/zinc/70/82/00/1208708200.db2.gz AHMPXLCFEIZFID-MFKMUULPSA-N -1 3 361.446 0.650 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H](C)OCC2CC2)C1 ZINC001489436656 1208829684 /nfs/dbraw/zinc/82/96/84/1208829684.db2.gz MJTMRKQCRIHERU-MPKXVKKWSA-N -1 3 362.430 0.882 10 0 FCAEHM CO[C@H](C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C)C1CCCC1 ZINC001489480834 1208858699 /nfs/dbraw/zinc/85/86/99/1208858699.db2.gz KEXOTKMCLOVAIY-DFBGVHRSSA-N -1 3 362.430 0.964 10 0 FCAEHM CCCCO[C@H](C)C(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@H](OC)C1 ZINC001489528072 1208883267 /nfs/dbraw/zinc/88/32/67/1208883267.db2.gz INXNDVSLRUWYGL-MRVWCRGKSA-N -1 3 366.418 0.343 10 0 FCAEHM CCO[C@@H](CC)C(=O)N1C[C@@H](NC(=O)c2c(C)nc[n-]c2=O)[C@H](OC)C1 ZINC001489537390 1208898319 /nfs/dbraw/zinc/89/83/19/1208898319.db2.gz BDFQYQUWMWWFMT-FRRDWIJNSA-N -1 3 366.418 0.261 10 0 FCAEHM O=C(C/C=C/c1ccccc1F)N1C[C@@H](NC(=O)c2cn[n-]n2)[C@@H](O)C1 ZINC001489599884 1209026449 /nfs/dbraw/zinc/02/64/49/1209026449.db2.gz XPYBHUXQTXESEY-SZWGIHMLSA-N -1 3 359.361 0.349 10 0 FCAEHM O=C(CCn1cccn1)N[C@@H]1CCCC[C@H]1NC(=O)c1cnc[n-]c1=O ZINC001489678294 1209084510 /nfs/dbraw/zinc/08/45/10/1209084510.db2.gz DYFOCYSFXKKGKC-ZIAGYGMSSA-N -1 3 358.402 0.626 10 0 FCAEHM C[C@@H]1CCN(C(=O)c2cnc[n-]c2=O)[C@H](CNC(=O)C(C)(C)C(N)=O)C1 ZINC001489952680 1209178259 /nfs/dbraw/zinc/17/82/59/1209178259.db2.gz OKYBGRTZLWKQFF-MNOVXSKESA-N -1 3 363.418 0.051 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)NCc1cc(=O)[n-]c(CNC(=O)C(F)F)n1 ZINC001489966994 1209185202 /nfs/dbraw/zinc/18/52/02/1209185202.db2.gz KVHNBJBRRHKFDP-PELKAZGASA-N -1 3 358.345 0.495 10 0 FCAEHM CCOCC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1c(C)nc[n-]c1=O ZINC001489936755 1209186526 /nfs/dbraw/zinc/18/65/26/1209186526.db2.gz MSTNVPGIVIZMFB-YPMHNXCESA-N -1 3 350.419 0.884 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)CCn2cnnn2)CCN1C(=O)c1ccccc1[O-] ZINC001490013802 1209189950 /nfs/dbraw/zinc/18/99/50/1209189950.db2.gz KPDSXCYVVJUJOC-UONOGXRCSA-N -1 3 358.402 0.578 10 0 FCAEHM CCC(CC)C(=O)NCC(=O)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@H]1C ZINC001490109497 1209235761 /nfs/dbraw/zinc/23/57/61/1209235761.db2.gz MAZIJVAKJUFFCU-PWSUYJOCSA-N -1 3 350.423 0.076 10 0 FCAEHM CO[C@@H](C)CC(=O)N1CC[C@H](NC(=O)Cc2c(C)nc(C)[n-]c2=O)[C@H]1C ZINC001490094241 1209252869 /nfs/dbraw/zinc/25/28/69/1209252869.db2.gz KFMDKXRCSOXXCE-NVBFEUDRSA-N -1 3 364.446 0.872 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1CCNC(=O)[C@H]1CNC(=O)N1 ZINC001490454169 1209363473 /nfs/dbraw/zinc/36/34/73/1209363473.db2.gz ZYEKFEOXSFCIMW-YRGRVCCFSA-N -1 3 360.414 0.288 10 0 FCAEHM CC(=O)N[C@](C)(C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn[n-]n1)C2)C(C)C ZINC001490651812 1209403691 /nfs/dbraw/zinc/40/36/91/1209403691.db2.gz PBGVDTXLDVFFSW-NVNVUAJTSA-N -1 3 362.434 0.217 10 0 FCAEHM C[C@@H](OCC1CC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O ZINC001490757141 1209423734 /nfs/dbraw/zinc/42/37/34/1209423734.db2.gz IFPZTOBFFUPMTD-LTZCYQRMSA-N -1 3 360.414 0.859 10 0 FCAEHM COc1ccc(C(=O)[N-]C(=O)CN2CC[C@H](N(C)C(=O)N(C)C)C2)cc1 ZINC000852652644 1209558386 /nfs/dbraw/zinc/55/83/86/1209558386.db2.gz AJWGCMKOVCRZNF-AWEZNQCLSA-N -1 3 362.430 0.639 10 0 FCAEHM COc1nnc(NC(=O)[C@@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)[n-]1 ZINC000860535461 1209851217 /nfs/dbraw/zinc/85/12/17/1209851217.db2.gz NCDGIQHPHBZDRS-SECBINFHSA-N -1 3 368.394 0.220 10 0 FCAEHM COc1nc(NC(=O)[C@@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)n[n-]1 ZINC000860535461 1209851221 /nfs/dbraw/zinc/85/12/21/1209851221.db2.gz NCDGIQHPHBZDRS-SECBINFHSA-N -1 3 368.394 0.220 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)n1 ZINC000860535461 1209851224 /nfs/dbraw/zinc/85/12/24/1209851224.db2.gz NCDGIQHPHBZDRS-SECBINFHSA-N -1 3 368.394 0.220 10 0 FCAEHM COC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])O1 ZINC000861698900 1209874435 /nfs/dbraw/zinc/87/44/35/1209874435.db2.gz SMNCXLCTWPXNQW-DJIHRAIXSA-N -1 3 365.386 0.587 10 0 FCAEHM Cn1ncnc1CCCNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC000862086800 1209895857 /nfs/dbraw/zinc/89/58/57/1209895857.db2.gz JJTBPZYHYWTQEF-UHFFFAOYSA-N -1 3 372.360 0.365 10 0 FCAEHM Cn1ncnc1CCCNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000862086800 1209895858 /nfs/dbraw/zinc/89/58/58/1209895858.db2.gz JJTBPZYHYWTQEF-UHFFFAOYSA-N -1 3 372.360 0.365 10 0 FCAEHM COC(=O)C1=CC[C@H](NC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])C1 ZINC000862660537 1209920744 /nfs/dbraw/zinc/92/07/44/1209920744.db2.gz KEIIGJJHCRDBHG-LBPRGKRZSA-N -1 3 373.340 0.866 10 0 FCAEHM COC(=O)C1=CC[C@H](NC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)C1 ZINC000862660537 1209920751 /nfs/dbraw/zinc/92/07/51/1209920751.db2.gz KEIIGJJHCRDBHG-LBPRGKRZSA-N -1 3 373.340 0.866 10 0 FCAEHM O=C1OC[C@@]2(CN=c3cc(-c4ccccc4)n4[n-]cnc4n3)COCCN12 ZINC000866154965 1209992195 /nfs/dbraw/zinc/99/21/95/1209992195.db2.gz AWMYRWVZZDUNBD-GOSISDBHSA-N -1 3 366.381 0.846 10 0 FCAEHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCO[C@@H](CN3CCOCC3)C2)c1 ZINC000870064577 1210103825 /nfs/dbraw/zinc/10/38/25/1210103825.db2.gz CATWWXPVVRGBJG-HNNXBMFYSA-N -1 3 363.414 0.524 10 0 FCAEHM CC(=O)N[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn[n-]n1)C2)C(C)(C)C ZINC001490830977 1211454276 /nfs/dbraw/zinc/45/42/76/1211454276.db2.gz XUZRHTJIBYNIFY-MHDGFBEUSA-N -1 3 362.434 0.217 10 0 FCAEHM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N[C@@H]3CCN(C)[C@@H]3C)cc2)[n-]1 ZINC000928453072 1211602804 /nfs/dbraw/zinc/60/28/04/1211602804.db2.gz IEQAIJUGDGPQQC-MLGOLLRUSA-N -1 3 372.425 0.704 10 0 FCAEHM COc1nnc(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3OC)C2=O)[n-]1 ZINC000778956012 1211942790 /nfs/dbraw/zinc/94/27/90/1211942790.db2.gz SBOYDXOAXFHXAT-MRXNPFEDSA-N -1 3 374.357 0.228 10 0 FCAEHM COc1nc(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3OC)C2=O)n[n-]1 ZINC000778956012 1211942791 /nfs/dbraw/zinc/94/27/91/1211942791.db2.gz SBOYDXOAXFHXAT-MRXNPFEDSA-N -1 3 374.357 0.228 10 0 FCAEHM COc1n[n-]c(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3OC)C2=O)n1 ZINC000778956012 1211942798 /nfs/dbraw/zinc/94/27/98/1211942798.db2.gz SBOYDXOAXFHXAT-MRXNPFEDSA-N -1 3 374.357 0.228 10 0 FCAEHM C/C(=C\C(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C)CN1CCOCC1 ZINC000900708572 1218029007 /nfs/dbraw/zinc/02/90/07/1218029007.db2.gz CONMRYHRBJSDEG-XYOKQWHBSA-N -1 3 359.430 0.946 10 0 FCAEHM CCN1CCN(c2ccc(NC(=O)c3cnc([O-])n(C)c3=O)cc2)CC1 ZINC000751567670 1220038482 /nfs/dbraw/zinc/03/84/82/1220038482.db2.gz QYGDEDUNPGCGAA-UHFFFAOYSA-N -1 3 357.414 0.880 10 0 FCAEHM COc1nnc(NC(=O)[C@]2(NC(=O)OCc3ccccc3)CCOC2)[n-]1 ZINC000781012845 1221045043 /nfs/dbraw/zinc/04/50/43/1221045043.db2.gz AULRQXKNCBLKHF-INIZCTEOSA-N -1 3 361.358 0.837 10 0 FCAEHM COc1nc(NC(=O)[C@]2(NC(=O)OCc3ccccc3)CCOC2)n[n-]1 ZINC000781012845 1221045046 /nfs/dbraw/zinc/04/50/46/1221045046.db2.gz AULRQXKNCBLKHF-INIZCTEOSA-N -1 3 361.358 0.837 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@]2(NC(=O)OCc3ccccc3)CCOC2)n1 ZINC000781012845 1221045049 /nfs/dbraw/zinc/04/50/49/1221045049.db2.gz AULRQXKNCBLKHF-INIZCTEOSA-N -1 3 361.358 0.837 10 0 FCAEHM COC[C@H](NC(=O)C(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccccc1 ZINC001117147742 1221480946 /nfs/dbraw/zinc/48/09/46/1221480946.db2.gz QBEBLIKADVPSRQ-JTQLQIEISA-N -1 3 371.319 0.944 10 0 FCAEHM O=c1[nH][n-]cc1-c1nnc(N2CCN(CC3CC3)CC2)n1C[C@H]1CCOC1 ZINC001123065868 1222314241 /nfs/dbraw/zinc/31/42/41/1222314241.db2.gz QRTNBWLCIWUXGV-CQSZACIVSA-N -1 3 373.461 0.942 10 0 FCAEHM COCCN1CCC[C@H]1CNC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000842612464 1222849690 /nfs/dbraw/zinc/84/96/90/1222849690.db2.gz XPZMPGICJRQCGK-DOTOQJQBSA-N -1 3 374.441 0.933 10 0 FCAEHM COCCCn1nc(C(=O)Nc2[n-]nc3cc(C)n(C)c(=O)c32)ccc1=O ZINC001142821752 1222852310 /nfs/dbraw/zinc/85/23/10/1222852310.db2.gz PNDJLOFHCLVCIK-UHFFFAOYSA-N -1 3 372.385 0.416 10 0 FCAEHM C[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCCCc2c[n-][nH]c2=O)C1=O ZINC001149262585 1222881191 /nfs/dbraw/zinc/88/11/91/1222881191.db2.gz MIPVBODUJSRPSB-KPZWWZAWSA-N -1 3 371.397 0.082 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC000941771704 1246816300 /nfs/dbraw/zinc/81/63/00/1246816300.db2.gz VAALQQMRZSGFMJ-AQRJEWBLSA-N -1 3 372.425 0.589 10 0 FCAEHM O=C(NC[C@H]1CC[C@@H](NC(=O)c2cn[n-]n2)C1)C(=O)Nc1ccccc1 ZINC001515093134 1265426775 /nfs/dbraw/zinc/42/67/75/1265426775.db2.gz YEFXDCNYLJOHBF-WCQYABFASA-N -1 3 356.386 0.458 10 0 FCAEHM Cc1cc(C)n(CCC(=O)NC[C@H]2CC[C@@H](NC(=O)c3cn[n-]n3)C2)n1 ZINC001515108445 1265432385 /nfs/dbraw/zinc/43/23/85/1265432385.db2.gz QUIPBIWMDNXUEU-UONOGXRCSA-N -1 3 359.434 0.723 10 0 FCAEHM CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001517359018 1265595102 /nfs/dbraw/zinc/59/51/02/1265595102.db2.gz PXZVPBBTLDVDRP-ZJUUUORDSA-N -1 3 357.407 0.715 10 0 FCAEHM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@@H]1Cc2cncn2C1 ZINC001328725969 1265602537 /nfs/dbraw/zinc/60/25/37/1265602537.db2.gz OFVNUNRWMPLRJP-CYBMUJFWSA-N -1 3 372.429 0.197 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)C2(NC(N)=O)CC2)CCN1C(=O)c1ccccc1[O-] ZINC001519762679 1265767611 /nfs/dbraw/zinc/76/76/11/1265767611.db2.gz JBJIVBZJKNZOPR-QWHCGFSZSA-N -1 3 360.414 0.702 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2cnc[n-]c2=O)CCN1C(=O)COCC(F)F ZINC001519876302 1265791297 /nfs/dbraw/zinc/79/12/97/1265791297.db2.gz OKOGVRRAOVIWRJ-WDEREUQCSA-N -1 3 358.345 0.573 10 0 FCAEHM O=C(COCC1CC1)N1CC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@@H]2C1 ZINC001520248706 1265888364 /nfs/dbraw/zinc/88/83/64/1265888364.db2.gz KFKCMIWYEPBJET-KGLIPLIRSA-N -1 3 360.414 0.529 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCC[C@@H](NC(=O)[C@H]3CCCN(C4CC4)C3=O)C2)n1 ZINC001520594230 1265944141 /nfs/dbraw/zinc/94/41/41/1265944141.db2.gz LGZRCDYKKMKZEM-UKRRQHHQSA-N -1 3 373.457 0.977 10 0 FCAEHM CC[C@@H](C)C(=O)NCC(=O)N1CC[C@H](NC(=O)c2cnc[n-]c2=O)[C@H]1C ZINC001520808950 1266006789 /nfs/dbraw/zinc/00/67/89/1266006789.db2.gz FEVRCCSEWBLICB-WZRBSPASSA-N -1 3 363.418 0.064 10 0 FCAEHM COCCOCCC(=O)N1CC[C@H](NC(=O)c2c(C)nc[n-]c2=O)[C@H]1C ZINC001520998870 1266058545 /nfs/dbraw/zinc/05/85/45/1266058545.db2.gz DPKQAIFVCBRZHU-OLZOCXBDSA-N -1 3 366.418 0.263 10 0 FCAEHM CCN(CC)CC(=O)N1C[C@@H]2CN(C(=O)c3n[nH]c(C)c3[O-])C[C@]2(C)C1 ZINC001521574720 1266142892 /nfs/dbraw/zinc/14/28/92/1266142892.db2.gz COBUEXHIICCRPE-ACJLOTCBSA-N -1 3 363.462 0.686 10 0 FCAEHM CCN1CC[C@@H](NC(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)C1=O ZINC001335584915 1259729446 /nfs/dbraw/zinc/72/94/46/1259729446.db2.gz NNVGKGDXSDKZQA-CYBMUJFWSA-N -1 3 372.422 0.617 10 0 FCAEHM CC[C@H]1C(=O)N(CC)CCN1C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001251451219 1259748226 /nfs/dbraw/zinc/74/82/26/1259748226.db2.gz SBLHORKRQYSZHT-OLZOCXBDSA-N -1 3 362.434 0.413 10 0 FCAEHM CCOC(=O)C[C@H]1CCCN1C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001251450917 1259748691 /nfs/dbraw/zinc/74/86/91/1259748691.db2.gz JRTMDVJFBWQRDN-QWHCGFSZSA-N -1 3 363.418 0.888 10 0 FCAEHM O=C(NC[C@H](O)c1ccc(F)cc1)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001251451040 1259749278 /nfs/dbraw/zinc/74/92/78/1259749278.db2.gz NFNRBZYOTQQMJX-KBPBESRZSA-N -1 3 361.377 0.933 10 0 FCAEHM COC(=O)C1CC2(C1)CN(C(=O)N[C@@H]1CCN(C3CC3)C1)C[C@H]2C(=O)[O-] ZINC001331906015 1266304659 /nfs/dbraw/zinc/30/46/59/1266304659.db2.gz HDYJLYIKCPBOOM-TUWKVJMVSA-N -1 3 365.430 0.519 10 0 FCAEHM CN(C(=O)c1cnc[n-]c1=O)[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C1CC1 ZINC001336928532 1260256215 /nfs/dbraw/zinc/25/62/15/1260256215.db2.gz VVSRVVOKGDHYJO-LALPHHSUSA-N -1 3 370.413 0.676 10 0 FCAEHM COC[C@@H](OC)C(=O)N[C@H]1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)[C@@H]1C ZINC001264718820 1260401073 /nfs/dbraw/zinc/40/10/73/1260401073.db2.gz BKRHGCIVSBXHQI-BYCMXARLSA-N -1 3 364.446 0.800 10 0 FCAEHM C[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccccc1[O-])NC(N)=O ZINC001522151904 1266373817 /nfs/dbraw/zinc/37/38/17/1266373817.db2.gz CUDCMPTZDGUEOD-XCCSTKFXSA-N -1 3 360.414 0.701 10 0 FCAEHM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC1(CCO)CN(C(=O)c2cnc[n-]c2=O)C1 ZINC001280561080 1261068895 /nfs/dbraw/zinc/06/88/95/1261068895.db2.gz SXYXJDYCPHLCRN-DGCLKSJQSA-N -1 3 362.430 0.558 10 0 FCAEHM O=C(CCOCC1CC1)N1C[C@@H]2CCN(C(=O)c3cnc[n-]c3=O)[C@@H]2C1 ZINC001281620087 1261126696 /nfs/dbraw/zinc/12/66/96/1261126696.db2.gz LZWAGBDFSCVBLJ-DZGCQCFKSA-N -1 3 360.414 0.672 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C(F)F ZINC001522175440 1266399457 /nfs/dbraw/zinc/39/94/57/1266399457.db2.gz ANICWTZVOXIJJN-USWWRNFRSA-N -1 3 354.357 0.936 10 0 FCAEHM O=C(CO[C@@H]1CCOC1)N[C@@H]1CCCC[C@H]1NC(=O)c1cnc[n-]c1=O ZINC001282010320 1261330496 /nfs/dbraw/zinc/33/04/96/1261330496.db2.gz SNUPXPQJCRRQPD-MRVWCRGKSA-N -1 3 364.402 0.145 10 0 FCAEHM CC(=O)N[C@H](C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cn[n-]n2)C1)C(C)(C)C ZINC001282132065 1261350023 /nfs/dbraw/zinc/35/00/23/1261350023.db2.gz JMAKAAMBQQBILS-OUCADQQQSA-N -1 3 364.450 0.370 10 0 FCAEHM CCC=C(C)C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@]23C[C@H]2COC3)n1 ZINC001282231562 1261386853 /nfs/dbraw/zinc/38/68/53/1261386853.db2.gz AMAUFRSOCVFUAK-FKFAOYOGSA-N -1 3 360.414 0.807 10 0 FCAEHM O=C(C=CC1CC1)NCc1cc(=O)[n-]c(CNC(=O)[C@]23C[C@H]2COC3)n1 ZINC001282232908 1261388259 /nfs/dbraw/zinc/38/82/59/1261388259.db2.gz JZQDNCOSSVICLV-OUIJYQSZSA-N -1 3 358.398 0.417 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)[C@@H]1CC(c2ccccn2)=NO1 ZINC001472254447 1261455052 /nfs/dbraw/zinc/45/50/52/1261455052.db2.gz SGZYXMBPNIGEPK-FZMZJTMJSA-N -1 3 354.370 0.465 10 0 FCAEHM Cc1oc2nc[nH]c(=O)c2c1C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001472253661 1261455132 /nfs/dbraw/zinc/45/51/32/1261455132.db2.gz UFWHZBAOWAESIF-VIFPVBQESA-N -1 3 356.342 0.741 10 0 FCAEHM Cc1cc(C)cc(C(=O)NCC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)c1 ZINC001472253495 1261455805 /nfs/dbraw/zinc/45/58/05/1261455805.db2.gz NJZHZLCQDMIDTB-OAHLLOKOSA-N -1 3 369.425 0.924 10 0 FCAEHM CCOC(=O)c1cccc2[n-]c(NC(=O)[C@@H](C)NS(C)(=O)=O)nc21 ZINC001472300621 1261458941 /nfs/dbraw/zinc/45/89/41/1261458941.db2.gz LRENUGRELNXZEV-MRVPVSSYSA-N -1 3 354.388 0.616 10 0 FCAEHM COc1cc(Br)c(C(=O)NN2CC(=O)[N-]C2=O)cc1OC ZINC001472486388 1261471027 /nfs/dbraw/zinc/47/10/27/1261471027.db2.gz OFJVPBOLXURADL-UHFFFAOYSA-N -1 3 358.148 0.663 10 0 FCAEHM CCOC(=O)c1nc(CNC(=O)c2cc(-n3ccnc3)ccc2O)n[n-]1 ZINC001472546481 1261473537 /nfs/dbraw/zinc/47/35/37/1261473537.db2.gz VVBLVPQINYKEDD-UHFFFAOYSA-N -1 3 356.342 0.803 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)c2cc(-n3ccnc3)ccc2O)[n-]1 ZINC001472546481 1261473540 /nfs/dbraw/zinc/47/35/40/1261473540.db2.gz VVBLVPQINYKEDD-UHFFFAOYSA-N -1 3 356.342 0.803 10 0 FCAEHM CCOC(=O)c1n[n-]c(CNC(=O)c2cc(-n3ccnc3)ccc2O)n1 ZINC001472546481 1261473546 /nfs/dbraw/zinc/47/35/46/1261473546.db2.gz VVBLVPQINYKEDD-UHFFFAOYSA-N -1 3 356.342 0.803 10 0 FCAEHM COCCC(=O)N1C[C@@H](CNC(=O)c2cc(=O)[n-]c(C3CC3)n2)[C@H](C)C1 ZINC001282490324 1261481514 /nfs/dbraw/zinc/48/15/14/1261481514.db2.gz RGNYLJSEERBFCY-DGCLKSJQSA-N -1 3 362.430 0.920 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](CNC(=O)Cc2cnoc2)[C@H](C)C1 ZINC001282504656 1261491814 /nfs/dbraw/zinc/49/18/14/1261491814.db2.gz NJPUTZMYEWGWDN-ZWNOBZJWSA-N -1 3 359.386 0.546 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1CCNC(=O)[C@H]1COC(=O)N1 ZINC001282536204 1261513435 /nfs/dbraw/zinc/51/34/35/1261513435.db2.gz XOXRDMSXUHXPEX-YRGRVCCFSA-N -1 3 361.398 0.715 10 0 FCAEHM COCCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c(C)nc[n-]c1=O)C2 ZINC001282761793 1261616810 /nfs/dbraw/zinc/61/68/10/1261616810.db2.gz SZIMNKGRISDEHJ-YUELXQCFSA-N -1 3 362.430 0.708 10 0 FCAEHM C[C@]1(CNC(=O)c2cnc[n-]c2=O)CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001286133938 1261916827 /nfs/dbraw/zinc/91/68/27/1261916827.db2.gz JLBGWECHFDWLCL-CTQRGLTFSA-N -1 3 374.441 0.966 10 0 FCAEHM O=C(NC[C@@]1(O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1)c1ccccc1[O-] ZINC001286178934 1261922124 /nfs/dbraw/zinc/92/21/24/1261922124.db2.gz KVWCGCRMVUBBES-LPMFXHHGSA-N -1 3 370.409 0.612 10 0 FCAEHM CCCC(=O)NCC(=O)N1C[C@@H]2CCN(C(=O)c3ccccc3[O-])[C@@H]2C1 ZINC001288915016 1262039637 /nfs/dbraw/zinc/03/96/37/1262039637.db2.gz VXOFVBSYRILABQ-DZGCQCFKSA-N -1 3 359.426 0.981 10 0 FCAEHM C[C@H](CC(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1O)n1ccnc1 ZINC001289074353 1262093154 /nfs/dbraw/zinc/09/31/54/1262093154.db2.gz CTCAPAFSOZBOCQ-XNRPHZJLSA-N -1 3 358.398 0.542 10 0 FCAEHM O=C(CCCn1cccc1)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1O ZINC001289085192 1262100326 /nfs/dbraw/zinc/10/03/26/1262100326.db2.gz VGIXDINABTVYNG-NVXWUHKLSA-N -1 3 357.410 0.976 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](C)[C@H](NC(=O)CCn2cccn2)C1 ZINC001289241208 1262153944 /nfs/dbraw/zinc/15/39/44/1262153944.db2.gz RXZUFUGIDJLNNC-DGCLKSJQSA-N -1 3 358.402 0.354 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@H]2CCN(C(=O)COC(C)(C)C)C[C@H]21 ZINC001289841917 1262355524 /nfs/dbraw/zinc/35/55/24/1262355524.db2.gz BOMBJNJDUBCWJM-CHWSQXEVSA-N -1 3 362.430 0.979 10 0 FCAEHM O=C(CCn1cncn1)N[C@@H]1CCCC[C@H]1NC(=O)c1cnc[n-]c1=O ZINC001289874902 1262361605 /nfs/dbraw/zinc/36/16/05/1262361605.db2.gz YRVHRWQRQARZDK-CHWSQXEVSA-N -1 3 359.390 0.021 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)CC(N)=O)CCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC001290600954 1262474468 /nfs/dbraw/zinc/47/44/68/1262474468.db2.gz VKUOCOZNLPQHNL-PWSUYJOCSA-N -1 3 356.382 0.123 10 0 FCAEHM C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1CCNC(=O)c1ccccc1[O-] ZINC001291568756 1262559454 /nfs/dbraw/zinc/55/94/54/1262559454.db2.gz FWCWHARMMYAFCR-CHWSQXEVSA-N -1 3 358.402 0.293 10 0 FCAEHM CC(C)(C)CC(=O)NCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn[n-]n1)C2 ZINC001292152640 1262655580 /nfs/dbraw/zinc/65/55/80/1262655580.db2.gz MZOBYRRFWBRALK-WZRBSPASSA-N -1 3 362.434 0.219 10 0 FCAEHM Cc1cc(NCCNC(=O)c2cc(F)cc3n[n-]nc32)n2ncnc2n1 ZINC001294242235 1262728972 /nfs/dbraw/zinc/72/89/72/1262728972.db2.gz KVFJBQAHMYTKRF-UHFFFAOYSA-N -1 3 355.337 0.685 10 0 FCAEHM Cn1cc([C@@H]2[C@@H](C(=O)NCc3ccc([O-])c(F)c3)[C@@H](O)C(=O)N2C)cn1 ZINC001294868455 1262747735 /nfs/dbraw/zinc/74/77/35/1262747735.db2.gz RNIYOWYEASZPPY-RBSFLKMASA-N -1 3 362.361 0.071 10 0 FCAEHM O=C(NC[C@H](NC(=O)[C@]12CCC[C@H]1OCC2)C1CC1)c1cnc[n-]c1=O ZINC001294901852 1262749563 /nfs/dbraw/zinc/74/95/63/1262749563.db2.gz KSKWKYKCBCLMMY-IYOUNJFTSA-N -1 3 360.414 0.766 10 0 FCAEHM C[C@@H](CNC(=O)c1cc(=O)[n-]c(C2CC2)n1)NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001295532232 1262769508 /nfs/dbraw/zinc/76/95/08/1262769508.db2.gz KUQDIHCIPRHVNN-MVWJERBFSA-N -1 3 370.413 0.821 10 0 FCAEHM C[C@H](CNC(=O)c1cc(=O)c2ccccc2[n-]1)NC(=O)[C@]12C[C@H]1COC2 ZINC001298613877 1262933179 /nfs/dbraw/zinc/93/31/79/1262933179.db2.gz MOOLOVYWOOKBKZ-UFYHVXEKSA-N -1 3 355.394 0.799 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCN(CCO)C[C@@H]1C ZINC001299282094 1262963874 /nfs/dbraw/zinc/96/38/74/1262963874.db2.gz XZMLPZXLZCHDEN-ZDUSSCGKSA-N -1 3 371.441 0.208 10 0 FCAEHM O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001300193293 1262984202 /nfs/dbraw/zinc/98/42/02/1262984202.db2.gz IWDFQGVGSHQGHG-LLVKDONJSA-N -1 3 369.381 0.937 10 0 FCAEHM O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001300193294 1262985218 /nfs/dbraw/zinc/98/52/18/1262985218.db2.gz IWDFQGVGSHQGHG-NSHDSACASA-N -1 3 369.381 0.937 10 0 FCAEHM CC(C)(C)N1CC[C@H](NC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)C1=O ZINC001478875318 1263150766 /nfs/dbraw/zinc/15/07/66/1263150766.db2.gz HHXBODQYHOHYRI-RYUDHWBXSA-N -1 3 362.434 0.460 10 0 FCAEHM CCOC(=O)C1=CC[C@H](NC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)C1 ZINC001478972988 1263156940 /nfs/dbraw/zinc/15/69/40/1263156940.db2.gz LCTSXFJXNFZVHQ-STQMWFEESA-N -1 3 361.402 0.712 10 0 FCAEHM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)N[C@@H](CCO)C(F)(F)F ZINC001479155814 1263173153 /nfs/dbraw/zinc/17/31/53/1263173153.db2.gz CNYNMWHOBVHXKC-VIFPVBQESA-N -1 3 350.297 0.367 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(C(=O)N[C@H](C)C(OC)OC)CC2)n[n-]1 ZINC001479156735 1263174013 /nfs/dbraw/zinc/17/40/13/1263174013.db2.gz LCRKRVCHUXETNJ-SNVBAGLBSA-N -1 3 369.422 0.878 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(C(=O)N[C@H](C)C(OC)OC)CC2)[n-]1 ZINC001479156735 1263174017 /nfs/dbraw/zinc/17/40/17/1263174017.db2.gz LCRKRVCHUXETNJ-SNVBAGLBSA-N -1 3 369.422 0.878 10 0 FCAEHM NC(=O)C[C@@H](NC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccccc1 ZINC001479511014 1263235225 /nfs/dbraw/zinc/23/52/25/1263235225.db2.gz XDKWHOYOTZMTSQ-ZIAGYGMSSA-N -1 3 370.413 0.677 10 0 FCAEHM O=C(NCc1ccc(CCNCc2n[nH]c(=O)[n-]2)cc1)[C@]12C[C@H]1COC2 ZINC001480714540 1263435585 /nfs/dbraw/zinc/43/55/85/1263435585.db2.gz KDSZSSAHHVKPAZ-KSSFIOAISA-N -1 3 357.414 0.495 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)NCCN(CC)C(=O)c1c(C)nc[n-]c1=O ZINC001496815026 1263900392 /nfs/dbraw/zinc/90/03/92/1263900392.db2.gz WEWLLNTYXDTJOV-OCCSQVGLSA-N -1 3 350.419 0.884 10 0 FCAEHM Cn1nccc1[C@@H]1C[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1ccccc1[O-] ZINC001501427999 1264121685 /nfs/dbraw/zinc/12/16/85/1264121685.db2.gz FAPXYKILCKWBNV-IACUBPJLSA-N -1 3 358.398 0.136 10 0 FCAEHM CCC[C@H](OC)C(=O)N1CC[C@H]2CN(C(=O)c3c(C)nc[n-]c3=O)C[C@H]21 ZINC001512832854 1264684434 /nfs/dbraw/zinc/68/44/34/1264684434.db2.gz GMLJDQKAAPTCAC-MJBXVCDLSA-N -1 3 362.430 0.979 10 0 FCAEHM CC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CN(C(=O)c3ccccc3[O-])C[C@H]21 ZINC001512858974 1264698035 /nfs/dbraw/zinc/69/80/35/1264698035.db2.gz AFZNJKQJROHVNI-NUEKZKHPSA-N -1 3 359.426 0.980 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CN(C(=O)C(C)(C)CC(C)C)C[C@H]1O ZINC001513028211 1264867382 /nfs/dbraw/zinc/86/73/82/1264867382.db2.gz CLGBYMXELUXIAW-CHWSQXEVSA-N -1 3 364.446 0.864 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CN(C(=O)C[C@H](C)CC(C)C)C[C@H]1O ZINC001513031114 1264872623 /nfs/dbraw/zinc/87/26/23/1264872623.db2.gz YQMGDKFSHOVIMS-MRVWCRGKSA-N -1 3 364.446 0.864 10 0 FCAEHM O=C(C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)N1CC[C@]12CCOC2 ZINC001325472037 1264898347 /nfs/dbraw/zinc/89/83/47/1264898347.db2.gz SORQJJYDNOXNKQ-LJQANCHMSA-N -1 3 373.409 0.068 10 0 FCAEHM COCCC(=O)N1C[C@@H](C)[C@H](NC(=O)c2nnc3ccccc3c2[O-])C1 ZINC001513319368 1265032886 /nfs/dbraw/zinc/03/28/86/1265032886.db2.gz NTMRDDLZPDQQAX-BXUZGUMPSA-N -1 3 358.398 0.949 10 0 FCAEHM C=C/C(C)=C\CC(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1OC ZINC001513415214 1265109882 /nfs/dbraw/zinc/10/98/82/1265109882.db2.gz OCLHZBOOIBIJNP-FLFDDASRSA-N -1 3 360.414 0.969 10 0 FCAEHM C/C=C(/C)C(=O)N[C@@H]1CN(C(=O)c2cc(=O)c3ccccc3[n-]2)C[C@@H]1O ZINC001513487339 1265150035 /nfs/dbraw/zinc/15/00/35/1265150035.db2.gz RIDVOELUOJADSS-JVUHILFCSA-N -1 3 355.394 0.796 10 0 FCAEHM CCC[C@H](OC)C(=O)N1C[C@H]2CCN(C(=O)c3c(C)nc[n-]c3=O)C[C@H]21 ZINC001514031493 1265316646 /nfs/dbraw/zinc/31/66/46/1265316646.db2.gz DDDOKDQNHAUAEL-MCIONIFRSA-N -1 3 362.430 0.979 10 0 FCAEHM CN([C@H]1CCN(CC(=O)[O-])C1=O)C1CCN(C(=O)c2ccccc2)CC1 ZINC001327588744 1265365947 /nfs/dbraw/zinc/36/59/47/1265365947.db2.gz UBPUATSGPUPDOG-INIZCTEOSA-N -1 3 359.426 0.909 10 0 FCAEHM CO[C@@H](C)C(=O)N[C@@H]1CC[C@H](CNC(=O)Cc2c(C)nc(C)[n-]c2=O)C1 ZINC001515052380 1265409780 /nfs/dbraw/zinc/40/97/80/1265409780.db2.gz LAGMEDPJXDLCMV-FPMFFAJLSA-N -1 3 364.446 0.778 10 0 FCAEHM CN(CCCNC(=O)c1cccc2n[n-]nc21)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001523419630 1266627960 /nfs/dbraw/zinc/62/79/60/1266627960.db2.gz YLUDYBDBKNARKT-KPHDYIETSA-N -1 3 369.425 0.960 10 0 FCAEHM CS(=O)(=O)CCn1cccc([N-]C(=O)c2c(F)ccnc2F)c1=O ZINC001527621801 1266910423 /nfs/dbraw/zinc/91/04/23/1266910423.db2.gz KSHWLAFIQHHABJ-UHFFFAOYSA-N -1 3 357.338 0.818 10 0 FCAEHM C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2nnc(Cl)[n-]2)n1CC1CC1 ZINC001527811363 1266926316 /nfs/dbraw/zinc/92/63/16/1266926316.db2.gz ZNEOGARLKOIIOZ-MRVPVSSYSA-N -1 3 350.814 0.794 10 0 FCAEHM C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2n[n-]c(Cl)n2)n1CC1CC1 ZINC001527811363 1266926325 /nfs/dbraw/zinc/92/63/25/1266926325.db2.gz ZNEOGARLKOIIOZ-MRVPVSSYSA-N -1 3 350.814 0.794 10 0 FCAEHM C/C(=C\C(=O)N[C@@H]1CCN(c2nc(C)cc(=O)[n-]2)C1)CN1CCOCC1 ZINC001528887269 1267005216 /nfs/dbraw/zinc/00/52/16/1267005216.db2.gz YKGXKMOINANETO-BMQCOBNYSA-N -1 3 361.446 0.464 10 0 FCAEHM Cc1nc(C)c(CC(=O)N[C@H](C)CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c(=O)[n-]1 ZINC001533731250 1267234584 /nfs/dbraw/zinc/23/45/84/1267234584.db2.gz XPVSBEISOMHYJY-BCPFTXANSA-N -1 3 374.441 0.386 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)CSc3cccc[n+]3[O-])CC2)n1 ZINC001335206712 1267404605 /nfs/dbraw/zinc/40/46/05/1267404605.db2.gz HKRZMYRVZHMKMC-UHFFFAOYSA-N -1 3 361.427 0.565 10 0 FCAEHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC001538613687 1267408880 /nfs/dbraw/zinc/40/88/80/1267408880.db2.gz IPKCIKAVGLSRQH-ZCFIWIBFSA-N -1 3 370.291 0.909 10 0 FCAEHM O=C(CNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])NC1CCCC1 ZINC001540541149 1267452101 /nfs/dbraw/zinc/45/21/01/1267452101.db2.gz BTINYHWRKHOOSF-UHFFFAOYSA-N -1 3 374.372 0.663 10 0 FCAEHM O=C(CNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O)NC1CCCC1 ZINC001540541149 1267452107 /nfs/dbraw/zinc/45/21/07/1267452107.db2.gz BTINYHWRKHOOSF-UHFFFAOYSA-N -1 3 374.372 0.663 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H]2OCCN(C)C2=O)cc1OC ZINC001543319633 1267542442 /nfs/dbraw/zinc/54/24/42/1267542442.db2.gz TYSAYJJKRGJOFC-ZDUSSCGKSA-N -1 3 371.415 0.253 10 0 FCAEHM Cc1nc(C)c(CC(=O)NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)c(=O)[n-]1 ZINC001545221784 1267608227 /nfs/dbraw/zinc/60/82/27/1267608227.db2.gz ZSYHJRIZOHGFHZ-PIGZYNQJSA-N -1 3 361.402 0.178 10 0 FCAEHM COc1nnc(NC(=O)c2cc(Br)ccc2-n2cnnn2)[n-]1 ZINC001545818540 1267623519 /nfs/dbraw/zinc/62/35/19/1267623519.db2.gz IAFFGHHFIWRLOH-UHFFFAOYSA-N -1 3 365.151 0.804 10 0 FCAEHM COc1nc(NC(=O)c2cc(Br)ccc2-n2cnnn2)n[n-]1 ZINC001545818540 1267623522 /nfs/dbraw/zinc/62/35/22/1267623522.db2.gz IAFFGHHFIWRLOH-UHFFFAOYSA-N -1 3 365.151 0.804 10 0 FCAEHM COc1n[n-]c(NC(=O)c2cc(Br)ccc2-n2cnnn2)n1 ZINC001545818540 1267623525 /nfs/dbraw/zinc/62/35/25/1267623525.db2.gz IAFFGHHFIWRLOH-UHFFFAOYSA-N -1 3 365.151 0.804 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC001339961194 1268387781 /nfs/dbraw/zinc/38/77/81/1268387781.db2.gz VRABSYMPCMNFBM-AAEUAGOBSA-N -1 3 356.448 0.257 10 0 FCAEHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@H]32)c1 ZINC001556961898 1268910726 /nfs/dbraw/zinc/91/07/26/1268910726.db2.gz MFOIHJRZQYXRRV-UKRRQHHQSA-N -1 3 368.411 0.379 10 0 FCAEHM COC(=O)[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)[C@@H]1CCC[C@@H](OC)C1 ZINC001557327700 1268943993 /nfs/dbraw/zinc/94/39/93/1268943993.db2.gz FNLUYXNEAQEPHT-MPKXVKKWSA-N -1 3 374.401 0.738 10 0 FCAEHM COC(=O)[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)[C@@H]1CCC[C@@H](OC)C1 ZINC001557327700 1268943999 /nfs/dbraw/zinc/94/39/99/1268943999.db2.gz FNLUYXNEAQEPHT-MPKXVKKWSA-N -1 3 374.401 0.738 10 0 FCAEHM COc1ccc(OC)c(C2=NO[C@H](C(=O)NCCCc3c[n-][nH]c3=O)C2)c1 ZINC001557701798 1268968493 /nfs/dbraw/zinc/96/84/93/1268968493.db2.gz ZJPLIJIKROBNMM-ZBEGNZNMSA-N -1 3 374.397 0.825 10 0 FCAEHM CON(C)S(=O)(=O)c1cccc(C(=O)NCCCc2c[n-][nH]c2=O)c1 ZINC001557702578 1268969485 /nfs/dbraw/zinc/96/94/85/1268969485.db2.gz XBFDAIBRZNEOBG-LBPRGKRZSA-N -1 3 368.415 0.110 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)[C@@H](C)Sc3nncn3C)CC2)n1 ZINC001558396541 1269083135 /nfs/dbraw/zinc/08/31/35/1269083135.db2.gz FWUVSFMIJICXJZ-LLVKDONJSA-N -1 3 363.447 0.449 10 0 FCAEHM CN(C)c1ccc2nnc(CNC(=O)c3nnc4ccccc4c3[O-])n2n1 ZINC001558526621 1269106266 /nfs/dbraw/zinc/10/62/66/1269106266.db2.gz JOCXOSSAIOHFID-UHFFFAOYSA-N -1 3 364.369 0.769 10 0 FCAEHM O=C(CN1CC[C@@H](c2nnn[n-]2)C1)NCC1(c2ccccc2)CCOCC1 ZINC001560101476 1269186775 /nfs/dbraw/zinc/18/67/75/1269186775.db2.gz MTFARLTWCUETIS-OAHLLOKOSA-N -1 3 370.457 0.854 10 0 FCAEHM O=C(CN1CC[C@@H](c2nn[n-]n2)C1)NCC1(c2ccccc2)CCOCC1 ZINC001560101476 1269186777 /nfs/dbraw/zinc/18/67/77/1269186777.db2.gz MTFARLTWCUETIS-OAHLLOKOSA-N -1 3 370.457 0.854 10 0 FCAEHM CN(C)C(=O)c1cccc(NC(=O)CN2CCC(Cc3nnn[n-]3)CC2)c1 ZINC001560114389 1269188642 /nfs/dbraw/zinc/18/86/42/1269188642.db2.gz LZJKCEMJRDIMPU-UHFFFAOYSA-N -1 3 371.445 0.795 10 0 FCAEHM CN(C)C(=O)c1cccc(NC(=O)CN2CCC(Cc3nn[n-]n3)CC2)c1 ZINC001560114389 1269188646 /nfs/dbraw/zinc/18/86/46/1269188646.db2.gz LZJKCEMJRDIMPU-UHFFFAOYSA-N -1 3 371.445 0.795 10 0 FCAEHM C[C@H](CC(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C)n1ccnc1 ZINC001342191062 1269390280 /nfs/dbraw/zinc/39/02/80/1269390280.db2.gz BNFPZRAFPZLKQA-YRGRVCCFSA-N -1 3 358.402 0.607 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)N[C@H]1C[C@H](CO)C1 ZINC001564648253 1269427322 /nfs/dbraw/zinc/42/73/22/1269427322.db2.gz RYXFBIUPNBDZNV-HOMQSWHASA-N -1 3 363.386 0.313 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C=CC(=O)Nc1ccc2n[nH]cc2c1 ZINC001565612237 1269483225 /nfs/dbraw/zinc/48/32/25/1269483225.db2.gz HTMVJTVINNTTQO-IHVVCDCBSA-N -1 3 354.370 0.686 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)N[C@@H](CNCc1nc(=O)n(C)[n-]1)C1CCCC1 ZINC001569606444 1269792970 /nfs/dbraw/zinc/79/29/70/1269792970.db2.gz GDLSYGFBSQOFSX-ILXRZTDVSA-N -1 3 365.478 0.688 10 0 FCAEHM O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001570107339 1269841780 /nfs/dbraw/zinc/84/17/80/1269841780.db2.gz DRDKEDUQLWTWAD-ZIAGYGMSSA-N -1 3 368.397 0.904 10 0 FCAEHM O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001570107339 1269841791 /nfs/dbraw/zinc/84/17/91/1269841791.db2.gz DRDKEDUQLWTWAD-ZIAGYGMSSA-N -1 3 368.397 0.904 10 0 FCAEHM CC/C(C)=C/C(=O)N[C@@H]1CN(C(=O)c2nnc3ccccc3c2[O-])C[C@@H]1O ZINC001343345170 1269868581 /nfs/dbraw/zinc/86/85/81/1269868581.db2.gz MYWPYQLRLACDFV-LMSYVIICSA-N -1 3 370.409 0.993 10 0 FCAEHM CCCCCC(=O)N1C[C@@H](NC(=O)c2cc(=O)[n-]c(C3CC3)n2)[C@@H](O)C1 ZINC001343467562 1269918629 /nfs/dbraw/zinc/91/86/29/1269918629.db2.gz WGFLXNNCADSEQU-KGLIPLIRSA-N -1 3 362.430 0.941 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CN(C(=O)C[C@@H](C)C(C)(C)C)C[C@@H]1O ZINC001343650739 1269973135 /nfs/dbraw/zinc/97/31/35/1269973135.db2.gz PDAMEALAELNWNP-RTXFEEFZSA-N -1 3 364.446 0.864 10 0 FCAEHM Cc1ccc(NC(=O)C(=O)NC[C@H]2CC[C@@H](NC(=O)c3cn[n-]n3)C2)cc1 ZINC001344272469 1270124835 /nfs/dbraw/zinc/12/48/35/1270124835.db2.gz BRJOWRSLGVCJOZ-GXTWGEPZSA-N -1 3 370.413 0.767 10 0 FCAEHM O=C(Cn1cc(C2CC2)cn1)NC[C@H]1CC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC001344288304 1270132959 /nfs/dbraw/zinc/13/29/59/1270132959.db2.gz MTOJFWQKNFEFRY-SMDDNHRTSA-N -1 3 357.418 0.594 10 0 FCAEHM CCOCCC(=O)N[C@H]1CCN(C(=O)Cc2c(C)nc(C)[n-]c2=O)[C@@H]1C ZINC001573461338 1270784099 /nfs/dbraw/zinc/78/40/99/1270784099.db2.gz UGNXULBRDKLIMT-DOMZBBRYSA-N -1 3 364.446 0.874 10 0 FCAEHM CC(=O)CCCC(=O)N1C[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@]2(C)C1 ZINC001573737055 1270865011 /nfs/dbraw/zinc/86/50/11/1270865011.db2.gz DZAZJQVYNUBQQI-ACJLOTCBSA-N -1 3 360.414 0.862 10 0 FCAEHM COCCCC(=O)N1C[C@@H](CNC(=O)c2c(C)nc[n-]c2=O)[C@H](C)C1 ZINC001573892091 1270921795 /nfs/dbraw/zinc/92/17/95/1270921795.db2.gz STSYOISFPCQIBU-DGCLKSJQSA-N -1 3 350.419 0.742 10 0 FCAEHM O=C(CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn[n-]n1)C2)NC1CCCC1 ZINC001574514836 1271298401 /nfs/dbraw/zinc/29/84/01/1271298401.db2.gz VPUQEQVQYFYYJW-NFAWXSAZSA-N -1 3 374.445 0.505 10 0 FCAEHM C[C@@]1(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)Oc2ccccc2NC1=O ZINC001603292293 1287348030 /nfs/dbraw/zinc/34/80/30/1287348030.db2.gz PEDUIQXIBGMUAD-ZMZPIMSZSA-N -1 3 369.381 0.667 10 0 FCAEHM Cn1nc(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)c2ccccc2c1=O ZINC001603292139 1287348126 /nfs/dbraw/zinc/34/81/26/1287348126.db2.gz NCMNCIRGJJBRAF-NSHDSACASA-N -1 3 366.381 0.438 10 0 FCAEHM O=C(NCC1(NCc2cc(=O)n3[n-]ccc3n2)CCCC1)[C@]12C[C@H]1COC2 ZINC001715298682 1287348412 /nfs/dbraw/zinc/34/84/12/1287348412.db2.gz DJXMMXZCBHNHTK-DJJJIMSYSA-N -1 3 371.441 0.578 10 0 FCAEHM CN(CCCNCc1n[nH]c(=O)[n-]1)C(=O)[C@@H]1CCO[C@H]1c1ccncc1 ZINC001716541889 1287383297 /nfs/dbraw/zinc/38/32/97/1287383297.db2.gz MGFHNEJZZUIHPE-HIFRSBDPSA-N -1 3 360.418 0.621 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N(C)[C@H](C)CNC(=O)[C@]12C[C@H]1COC2 ZINC001718168615 1287467221 /nfs/dbraw/zinc/46/72/21/1287467221.db2.gz HZSGCLHZCXGOSY-YNKQFZHNSA-N -1 3 362.430 0.423 10 0 FCAEHM CC[C@H](CNC(=O)[C@@H]1CCO[C@H]1c1ccncc1)NC(=O)c1cn[n-]n1 ZINC001582460995 1281579954 /nfs/dbraw/zinc/57/99/54/1281579954.db2.gz BGNWDMXYXAREKG-NFAWXSAZSA-N -1 3 358.402 0.602 10 0 FCAEHM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H](O)CNC(=O)c1cccc2n[n-]nc21 ZINC001583001743 1282062074 /nfs/dbraw/zinc/06/20/74/1282062074.db2.gz NHDNNKRGZPZALQ-RAIGVLPGSA-N -1 3 359.430 0.847 10 0 FCAEHM CC(C)(C)C(=O)N1CCO[C@H](C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)C1 ZINC001583358618 1282082278 /nfs/dbraw/zinc/08/22/78/1282082278.db2.gz QLIFSIVSPDHKNR-YPMHNXCESA-N -1 3 350.419 0.705 10 0 FCAEHM C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001583359108 1282082642 /nfs/dbraw/zinc/08/26/42/1282082642.db2.gz XUYRLSSHGJTZKX-JVLSTEMRSA-N -1 3 350.419 0.487 10 0 FCAEHM Cc1cnn(-c2c(C(=O)NCc3cc(=O)[n-]c(=S)[nH]3)c(C)nn2C)c1 ZINC001583369400 1282085802 /nfs/dbraw/zinc/08/58/02/1282085802.db2.gz VJQWOLARUWRKKQ-UHFFFAOYSA-N -1 3 359.415 0.937 10 0 FCAEHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC001631839685 1282123269 /nfs/dbraw/zinc/12/32/69/1282123269.db2.gz XJQSFIHPSQTYSB-JTQLQIEISA-N -1 3 359.411 0.531 10 0 FCAEHM CON(C)C[C@H](O)Cn1cc(NC(=O)c2ccc(C(C)=O)c([O-])c2)cn1 ZINC001631874797 1282127839 /nfs/dbraw/zinc/12/78/39/1282127839.db2.gz ASQHLFHCDILFPD-AWEZNQCLSA-N -1 3 362.386 0.898 10 0 FCAEHM CCOC(=O)[C@@H](NC(=O)c1cc(F)cc2n[n-]nc21)[C@@H](O)c1cccnc1 ZINC001631959043 1282143374 /nfs/dbraw/zinc/14/33/74/1282143374.db2.gz QYWXLGVPRLZQHJ-GJZGRUSLSA-N -1 3 373.344 0.887 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])N1CC(n2cncn2)C1 ZINC001632533720 1282183889 /nfs/dbraw/zinc/18/38/89/1282183889.db2.gz JIEZFEHGWCCKDB-UHFFFAOYSA-N -1 3 356.317 0.163 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c([O-])cc1=O)N1CC(n2cncn2)C1 ZINC001632533720 1282183896 /nfs/dbraw/zinc/18/38/96/1282183896.db2.gz JIEZFEHGWCCKDB-UHFFFAOYSA-N -1 3 356.317 0.163 10 0 FCAEHM CCCCCS(=O)(=O)CC(=O)N[C@H](C)c1nnc(C(=O)OCC)[n-]1 ZINC001632567602 1282186516 /nfs/dbraw/zinc/18/65/16/1282186516.db2.gz PKKSWSVJWTXRAA-SNVBAGLBSA-N -1 3 360.436 0.764 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccc(F)c1 ZINC001632758560 1282204547 /nfs/dbraw/zinc/20/45/47/1282204547.db2.gz OALAUBLUOQEHTC-OFQRWUPVSA-N -1 3 360.389 0.973 10 0 FCAEHM Cc1sc(S(N)(=O)=O)cc1C(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC001632896546 1282217351 /nfs/dbraw/zinc/21/73/51/1282217351.db2.gz KLDGGWVPNDYMIX-UHFFFAOYSA-N -1 3 354.413 0.398 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NC[C@H](O)CN(C)C(=O)Cc1c(C)nc(C)[n-]c1=O ZINC001718759886 1287557333 /nfs/dbraw/zinc/55/73/33/1287557333.db2.gz AJRYICQVQYATDM-VNHYZAJKSA-N -1 3 364.446 0.323 10 0 FCAEHM CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)NCCCc2c[n-][nH]c2=O)C1 ZINC001585938565 1282258860 /nfs/dbraw/zinc/25/88/60/1282258860.db2.gz ZJPNUGFSQYNUPE-ZYHUDNBSSA-N -1 3 356.398 0.820 10 0 FCAEHM CN(C[C@@H](O)CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)C(=O)c1cnc[n-]c1=O ZINC001718765742 1287562734 /nfs/dbraw/zinc/56/27/34/1287562734.db2.gz UXZJUYSUGDBNMY-ZOBORPQBSA-N -1 3 360.414 0.334 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)c1ccc(N2NC(=O)CCC2=O)cc1 ZINC001634142859 1282303216 /nfs/dbraw/zinc/30/32/16/1282303216.db2.gz BGEODWAANUMYBG-GFCCVEGCSA-N -1 3 357.370 0.086 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)[C@H]3CCCCS3(=O)=O)CC2)n1 ZINC001634977715 1282369390 /nfs/dbraw/zinc/36/93/90/1282369390.db2.gz JWKWTCPUMSKQGJ-GFCCVEGCSA-N -1 3 354.432 0.107 10 0 FCAEHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)[C@@]1(C)CCCS1(=O)=O ZINC001635007943 1282373050 /nfs/dbraw/zinc/37/30/50/1282373050.db2.gz ZAHRDNRSUVXXCI-OHUAYANFSA-N -1 3 369.443 0.834 10 0 FCAEHM CNC(=O)c1ccccc1NC(=O)c1ccc(-n2[n-]c(=O)[nH]c2=O)cc1 ZINC001587882927 1282387094 /nfs/dbraw/zinc/38/70/94/1282387094.db2.gz SXFXARNKXGMCBF-UHFFFAOYSA-N -1 3 353.338 0.878 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](CC2OCCO2)C(=O)OC)c1 ZINC001588007742 1282394728 /nfs/dbraw/zinc/39/47/28/1282394728.db2.gz BICCMIXYONCTPG-LBPRGKRZSA-N -1 3 364.354 0.551 10 0 FCAEHM CO[C@@H]1COCC[C@@H]1CNC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001635478966 1282410906 /nfs/dbraw/zinc/41/09/06/1282410906.db2.gz UJKDGRQZFHKKON-JHJVBQTASA-N -1 3 351.407 0.112 10 0 FCAEHM C[C@@H](NC(=O)Cn1nc2n(c1=O)CCCCC2)c1nc(C(F)(F)F)n[n-]1 ZINC001636086581 1282459277 /nfs/dbraw/zinc/45/92/77/1282459277.db2.gz ZYPQAWWKPQYFTJ-MRVPVSSYSA-N -1 3 373.339 0.786 10 0 FCAEHM COC(=O)c1cc(NC(=O)CCN2C(=O)CCC2=O)c([O-])c(OC)c1 ZINC001636734109 1282533064 /nfs/dbraw/zinc/53/30/64/1282533064.db2.gz DTWJQOXOVZYABC-UHFFFAOYSA-N -1 3 350.327 0.665 10 0 FCAEHM Cn1c2cccc(C(=O)N[C@H]3CCN(c4cc(=O)[n-]cn4)C3)c2oc1=O ZINC001636855765 1282542587 /nfs/dbraw/zinc/54/25/87/1282542587.db2.gz RCJGZWAIMSZJFS-JTQLQIEISA-N -1 3 355.354 0.636 10 0 FCAEHM O=C(C[C@H]1Oc2ccccc2NC1=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001636855027 1282543004 /nfs/dbraw/zinc/54/30/04/1282543004.db2.gz JPKRXCWLDPSCNL-BXUZGUMPSA-N -1 3 369.381 0.667 10 0 FCAEHM CCOC(=O)N1C[C@H](NC(=O)c2cc(OC)c([O-])c(OC)c2)[C@@H](CO)C1 ZINC001637076381 1282560265 /nfs/dbraw/zinc/56/02/65/1282560265.db2.gz IFFCUDKJUWVZPW-NEPJUHHUSA-N -1 3 368.386 0.588 10 0 FCAEHM NC(=O)CC1CC(NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)C1 ZINC001638330217 1282685328 /nfs/dbraw/zinc/68/53/28/1282685328.db2.gz KWJUHVHFLPLYTG-UHFFFAOYSA-N -1 3 364.368 0.741 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)c3cn(CC4(C)COC4)nn3)CC2)n1 ZINC001638493513 1282702616 /nfs/dbraw/zinc/70/26/16/1282702616.db2.gz ULSPDNUFPBZXCA-UHFFFAOYSA-N -1 3 373.417 0.081 10 0 FCAEHM CS(=O)(=O)c1ccc(NCC(=O)NCc2cc(=O)[n-]c(=S)[nH]2)cc1 ZINC001639649390 1282801488 /nfs/dbraw/zinc/80/14/88/1282801488.db2.gz SBIZLPCSQCTOFM-UHFFFAOYSA-N -1 3 368.440 0.603 10 0 FCAEHM Cc1cc(=O)[n-]c(CNC(=O)c2nc(S(C)(=O)=O)ccc2Cl)n1 ZINC001639657158 1282803862 /nfs/dbraw/zinc/80/38/62/1282803862.db2.gz ROPMSPJRBCAAST-UHFFFAOYSA-N -1 3 356.791 0.873 10 0 FCAEHM CCC(=O)N[C@H](CCSC)C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001640104545 1282838001 /nfs/dbraw/zinc/83/80/01/1282838001.db2.gz GLSXZNZHESPQQB-NWDGAFQWSA-N -1 3 367.475 0.525 10 0 FCAEHM COC(=O)c1ccc(C=CC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)o1 ZINC001640110238 1282839771 /nfs/dbraw/zinc/83/97/71/1282839771.db2.gz NPBPGQYEWZHFPN-TZNOJPMFSA-N -1 3 358.354 0.970 10 0 FCAEHM CON(C)CCNC(=O)C1([N-]S(=O)(=O)c2c(C)noc2C)CCCC1 ZINC001640426757 1282863890 /nfs/dbraw/zinc/86/38/90/1282863890.db2.gz VEXASKXHOKRQAA-UHFFFAOYSA-N -1 3 374.463 0.492 10 0 FCAEHM CC(C)(C)OC(=O)N1CCCO[C@@H](CNC(=O)c2cnncc2[O-])C1 ZINC001640585281 1282878379 /nfs/dbraw/zinc/87/83/79/1282878379.db2.gz OCUGFTJRWVRINK-NSHDSACASA-N -1 3 352.391 0.938 10 0 FCAEHM Cc1cc(=O)[n-]c(CNC(=O)[C@]2(C)C[C@H](O)CN2C(=O)OC(C)(C)C)n1 ZINC001640617295 1282881842 /nfs/dbraw/zinc/88/18/42/1282881842.db2.gz CCEHSLGORFLRDL-GTNSWQLSSA-N -1 3 366.418 0.867 10 0 FCAEHM COc1cccc(CN2CCC(NC(=O)c3n[nH]c(=O)[n-]c3=O)CC2)c1 ZINC001641172189 1282929237 /nfs/dbraw/zinc/92/92/37/1282929237.db2.gz PPNXTUHNNIIFNW-UHFFFAOYSA-N -1 3 359.386 0.686 10 0 FCAEHM C[C@@H](CN(C)C(=O)[C@H]1C[C@H]1C(N)=O)NC(=O)c1nnc2ccccc2c1[O-] ZINC001680167916 1283398302 /nfs/dbraw/zinc/39/83/02/1283398302.db2.gz LSYSNFJEQJGPRT-WCQGTBRESA-N -1 3 371.397 0.034 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NC[C@@H](O)CN(C)C(=O)CCc1c(C)nc[n-]c1=O ZINC001680817659 1283449178 /nfs/dbraw/zinc/44/91/78/1283449178.db2.gz KOCIWXSJSSSSFP-UMVBOHGHSA-N -1 3 364.446 0.405 10 0 FCAEHM CC[C@@H](C)CC(=O)N[C@@H]1CN(C(=O)Cc2c(C)nc(C)[n-]c2=O)C[C@H]1O ZINC001682413382 1283592887 /nfs/dbraw/zinc/59/28/87/1283592887.db2.gz DLHJSXHLALWHDM-VCTAVGKDSA-N -1 3 364.446 0.466 10 0 FCAEHM CO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1c1ccccc1 ZINC001683132885 1283865771 /nfs/dbraw/zinc/86/57/71/1283865771.db2.gz RZLDBRWTGGFKEU-VBNZEHGJSA-N -1 3 370.409 0.942 10 0 FCAEHM CC(C)(C)CC(C)(C)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@@H]1O ZINC001683495535 1284008216 /nfs/dbraw/zinc/00/82/16/1284008216.db2.gz QUQJNPPMAZRICO-OLZOCXBDSA-N -1 3 364.446 0.946 10 0 FCAEHM CCCOCC(=O)NC[C@H]1CC[C@@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001684348086 1284159349 /nfs/dbraw/zinc/15/93/49/1284159349.db2.gz UCLWLTYBOCSVOC-QWHCGFSZSA-N -1 3 350.419 0.932 10 0 FCAEHM Cn1cc(N2CCN(C(=O)N[C@H]3CCN(c4cc(=O)[n-]cn4)C3)CC2)cn1 ZINC001684555668 1284199886 /nfs/dbraw/zinc/19/98/86/1284199886.db2.gz DHNAEWCOVUGXLP-ZDUSSCGKSA-N -1 3 372.433 0.026 10 0 FCAEHM C[C@H](NC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)C(=O)NC(C)(C)C ZINC001684556951 1284200812 /nfs/dbraw/zinc/20/08/12/1284200812.db2.gz XDEZCENKUZBSEP-WDEREUQCSA-N -1 3 350.423 0.363 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)NCc1nc(CNC(=O)C(C)C)cc(=O)[n-]1 ZINC001702604445 1285751295 /nfs/dbraw/zinc/75/12/95/1285751295.db2.gz QQVWJAZUXBRTJT-ABAIWWIYSA-N -1 3 350.419 0.886 10 0 FCAEHM CC/C(C)=C/C(=O)N[C@@H]1CN(C(=O)Cc2c(C)nc(C)[n-]c2=O)C[C@@H]1O ZINC001735919671 1289028926 /nfs/dbraw/zinc/02/89/26/1289028926.db2.gz HDXCJGGZIPENLH-PHGPQXGHSA-N -1 3 362.430 0.386 10 0 FCAEHM CO[C@H](C)C(=O)N[C@H]1CCN(C(=O)Cc2c(C)nc(C)[n-]c2=O)[C@@H]1C ZINC001702685220 1285784914 /nfs/dbraw/zinc/78/49/14/1285784914.db2.gz WUMPJCLQQDMWCC-GYSYKLTISA-N -1 3 350.419 0.482 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)c2cnc[n-]c2=O)CCN1C(=O)COCc1ccncc1 ZINC001702707665 1285804938 /nfs/dbraw/zinc/80/49/38/1285804938.db2.gz WVRAHZOHSAMRPN-DOMZBBRYSA-N -1 3 371.397 0.513 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CCNC(=O)[C@@H]1CCCOC1 ZINC001702830914 1285923246 /nfs/dbraw/zinc/92/32/46/1285923246.db2.gz KUPDORRWVOJTSB-MGPQQGTHSA-N -1 3 362.430 0.823 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CCNC(=O)Cn1ccnc1 ZINC001702843358 1285936848 /nfs/dbraw/zinc/93/68/48/1285936848.db2.gz WSLDRSSJABZGTC-CHWSQXEVSA-N -1 3 358.402 0.293 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)NC[C@H](NC(=O)c1c(C)nc[n-]c1=O)C1CC1 ZINC001703851198 1286154691 /nfs/dbraw/zinc/15/46/91/1286154691.db2.gz FKFDPMXLTFDKIP-RDBSUJKOSA-N -1 3 362.430 0.930 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2nnc3c(=O)[nH]ccn23)c1 ZINC001593662047 1286210348 /nfs/dbraw/zinc/21/03/48/1286210348.db2.gz FWDAFHBTLVRAEZ-UHFFFAOYSA-N -1 3 368.353 0.520 10 0 FCAEHM CSc1ccc([O-])c(C(=O)NCCc2nnc3n2CCN(C)C3=O)c1 ZINC001594080951 1286224369 /nfs/dbraw/zinc/22/43/69/1286224369.db2.gz AKOMQMLFCDZSRX-UHFFFAOYSA-N -1 3 361.427 0.764 10 0 FCAEHM CCCN(CCNC(=O)c1cccc2n[n-]nc21)C(=O)[C@]12C[C@H]1COC2 ZINC001704376365 1286236680 /nfs/dbraw/zinc/23/66/80/1286236680.db2.gz JVRKPPIYHJVTTD-SGTLLEGYSA-N -1 3 357.414 0.963 10 0 FCAEHM CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)c1ccccc1[O-] ZINC001595169006 1286241017 /nfs/dbraw/zinc/24/10/17/1286241017.db2.gz NBSJWUYBXYBQFR-UHFFFAOYSA-N -1 3 355.394 0.897 10 0 FCAEHM O=C(N[C@H](CNC(=O)[C@]12C[C@H]1COC2)c1ccccc1)c1cnc[n-]c1=O ZINC001704453575 1286251856 /nfs/dbraw/zinc/25/18/56/1286251856.db2.gz COBMWKKGJYTDBZ-OHNRDTAOSA-N -1 3 368.393 0.806 10 0 FCAEHM CCCN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001704463953 1286254089 /nfs/dbraw/zinc/25/40/89/1286254089.db2.gz ZNFWOBKVGCMWGV-CFVMTHIKSA-N -1 3 359.426 0.967 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)c3nnn(C(C)(C)C)n3)CC2)n1 ZINC001597292263 1286337448 /nfs/dbraw/zinc/33/74/48/1286337448.db2.gz BXPLIFNNXSNHML-UHFFFAOYSA-N -1 3 360.422 0.631 10 0 FCAEHM CN1CCN(Cc2cccc(NC(=O)CCCn3c(=O)[n-][nH]c3=O)c2)CC1 ZINC001597397088 1286341978 /nfs/dbraw/zinc/34/19/78/1286341978.db2.gz MRLDGOAKUMMMQH-UHFFFAOYSA-N -1 3 374.445 0.856 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001597702027 1286356451 /nfs/dbraw/zinc/35/64/51/1286356451.db2.gz YRKRBNGVEHYTJS-GFCCVEGCSA-N -1 3 353.444 0.651 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC1(CNC(=O)[C@@H]2C[C@H]2c2cncn2C)CC1 ZINC001705297271 1286375564 /nfs/dbraw/zinc/37/55/64/1286375564.db2.gz IHPSRVYWOIRWOU-VXGBXAGGSA-N -1 3 370.413 0.406 10 0 FCAEHM CCCCOCC(=O)N1C[C@@H](C)[C@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001719196656 1287857422 /nfs/dbraw/zinc/85/74/22/1287857422.db2.gz GIINQXQMDMYVHU-DGCLKSJQSA-N -1 3 350.419 0.884 10 0 FCAEHM C/C=C(\C)C(=O)N[C@@H]1CN(C(=O)Cc2c(C)nc(C)[n-]c2=O)C[C@H]1OC ZINC001719221576 1287889363 /nfs/dbraw/zinc/88/93/63/1287889363.db2.gz KCKPQIIBWYRHLZ-ILJFBXALSA-N -1 3 362.430 0.650 10 0 FCAEHM CO[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1NC(=O)C=Cc1ccc[nH]1 ZINC001719224406 1287895662 /nfs/dbraw/zinc/89/56/62/1287895662.db2.gz SSKIMKXXNSJFCT-HLMASZERSA-N -1 3 371.397 0.488 10 0 FCAEHM CC/C=C(/C)C(=O)N[C@@H]1CN(C(=O)CCc2c(C)nc[n-]c2=O)C[C@@H]1O ZINC001719256944 1287962463 /nfs/dbraw/zinc/96/24/63/1287962463.db2.gz QAQRFTJTNBGNAT-WDXBHHQGSA-N -1 3 362.430 0.467 10 0 FCAEHM O=C(CCOCC(F)F)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@@H]1O ZINC001719275892 1287999943 /nfs/dbraw/zinc/99/99/43/1287999943.db2.gz VDSGGZBPMJYYFW-YPMHNXCESA-N -1 3 358.341 0.366 10 0 FCAEHM C[C@H](CC(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@@H]1O)c1ccco1 ZINC001719292836 1288048451 /nfs/dbraw/zinc/04/84/51/1288048451.db2.gz AELCORVZJNKCFQ-RTXFEEFZSA-N -1 3 360.370 0.271 10 0 FCAEHM CC[C@@H](NC(C)=O)C(=O)N[C@H]1CCN(C(=O)c2cnc[n-]c2=O)[C@@H]1CC ZINC001719562187 1288182618 /nfs/dbraw/zinc/18/26/18/1288182618.db2.gz NEPIYVHWWUBHEA-HZSPNIEDSA-N -1 3 363.418 0.206 10 0 FCAEHM O=C(NCCCNC(=O)[C@@H]1C[C@H]1C1CC1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001720287121 1288218321 /nfs/dbraw/zinc/21/83/21/1288218321.db2.gz WZAHVXYBDOOOPE-DZGCQCFKSA-N -1 3 355.394 0.852 10 0 FCAEHM CCN(CCCNC(=O)c1cnc[n-]c1=O)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001720612331 1288243447 /nfs/dbraw/zinc/24/34/47/1288243447.db2.gz JSPMYOJAHIODNX-VXGBXAGGSA-N -1 3 358.402 0.677 10 0 FCAEHM CN(C[C@@H](O)CNCc1cc(=O)n2[n-]ccc2n1)C(=O)[C@]12C[C@H]1CCC2 ZINC001734522441 1288654994 /nfs/dbraw/zinc/65/49/94/1288654994.db2.gz IHYZJIYKQVKERM-UVBSCNOISA-N -1 3 359.430 0.122 10 0 FCAEHM C[C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1NC(=O)c1cccc2n[n-]nc21 ZINC001735822436 1288929283 /nfs/dbraw/zinc/92/92/83/1288929283.db2.gz CQRVTTROXRZPLG-ZWNOBZJWSA-N -1 3 358.402 0.190 10 0 FCAEHM CCOCC(=O)NCc1nc(CNC(=O)[C@@H]2CCO[C@H]2CC)cc(=O)[n-]1 ZINC001736171513 1289188269 /nfs/dbraw/zinc/18/82/69/1289188269.db2.gz CBLZOCSATFTEMF-OLZOCXBDSA-N -1 3 366.418 0.266 10 0 FCAEHM CCCC(=O)NCc1nc(CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)cc(=O)[n-]1 ZINC001736173602 1289188753 /nfs/dbraw/zinc/18/87/53/1289188753.db2.gz ISCVWCRJLNNCGC-VXGBXAGGSA-N -1 3 358.402 0.742 10 0 FCAEHM O=C(Cn1cnnn1)NC[C@]12CCC[C@H]1N(C(=O)c1ccccc1[O-])CC2 ZINC001736430954 1289341318 /nfs/dbraw/zinc/34/13/18/1289341318.db2.gz QVUUQIYXJZNSDJ-CRAIPNDOSA-N -1 3 370.413 0.580 10 0 FCAEHM CNC(=O)CCCCC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2cn[n-]n2)C1 ZINC001736607358 1289472788 /nfs/dbraw/zinc/47/27/88/1289472788.db2.gz XJZXRXPZCYGAOO-SJCJKPOMSA-N -1 3 362.434 0.222 10 0 FCAEHM C[C@H](CNC(=O)c1cnc[n-]c1=O)N(C)C(=O)[C@@H]1C[C@H]1c1ccnn1C ZINC001701200754 1289637043 /nfs/dbraw/zinc/63/70/43/1289637043.db2.gz MBBBKEXVMOKTMH-IJLUTSLNSA-N -1 3 358.402 0.296 10 0 FCAEHM CN(CCN(C)C(=O)[C@]12C[C@H]1COC2)C(=O)c1nnc2ccccc2c1[O-] ZINC001738363508 1289670255 /nfs/dbraw/zinc/67/02/55/1289670255.db2.gz ZMHISCRLRCXEFI-BUXKBTBVSA-N -1 3 370.409 0.902 10 0 FCAEHM CC(C)CO[C@H](C)C(=O)N1C[C@@H]2CCN(C(=O)c3cnc[n-]c3=O)[C@@H]2C1 ZINC001702140722 1289742575 /nfs/dbraw/zinc/74/25/75/1289742575.db2.gz GDXALIVXYKXNQE-VNHYZAJKSA-N -1 3 362.430 0.916 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(S(N)(=O)=O)cc(F)c1C ZINC001615963695 1289765773 /nfs/dbraw/zinc/76/57/73/1289765773.db2.gz RBCRSMZSRFTETJ-JTQLQIEISA-N -1 3 356.379 0.023 10 0 FCAEHM CNC(=O)C1(C(=O)N2C[C@@H]3CCN(C(=O)c4ccccc4[O-])[C@@H]3C2)CC1 ZINC001739363147 1289855552 /nfs/dbraw/zinc/85/55/52/1289855552.db2.gz DFQPQEZRBBAGNT-GXTWGEPZSA-N -1 3 357.410 0.591 10 0 FCAEHM CO[C@@H]1CN(C(=O)C=C(C)C)C[C@H]1NC(=O)CCc1c(C)nc[n-]c1=O ZINC001702315284 1290022560 /nfs/dbraw/zinc/02/25/60/1290022560.db2.gz GMIJWJKJJDHQRB-HUUCEWRRSA-N -1 3 362.430 0.731 10 0 FCAEHM Cc1cc(NCCNC(=O)c2nnc3ccccc3c2[O-])n2ncnc2n1 ZINC001621056203 1290026228 /nfs/dbraw/zinc/02/62/28/1290026228.db2.gz OPXPGVBVZSGSCL-UHFFFAOYSA-N -1 3 364.369 0.923 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1NC(=O)C(=O)Nc1ccccc1 ZINC001739525113 1290116484 /nfs/dbraw/zinc/11/64/84/1290116484.db2.gz HBEGPOIUXHASND-BXUZGUMPSA-N -1 3 369.381 0.398 10 0 FCAEHM CO[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1NC(=O)C[C@@H](C)SC ZINC001739569044 1290168110 /nfs/dbraw/zinc/16/81/10/1290168110.db2.gz MWRTXVJJPUPSJM-YUSALJHKSA-N -1 3 354.432 0.279 10 0 FCAEHM O=C(NCCNC(=O)[C@H]1CNC(=O)C[C@H]1C(F)(F)F)c1ccc([O-])cc1 ZINC001622744068 1290182384 /nfs/dbraw/zinc/18/23/84/1290182384.db2.gz VMXVBTVHRGJCNF-NWDGAFQWSA-N -1 3 373.331 0.553 10 0 FCAEHM CC(C)=CC(=O)N[C@@H]1CN(C(=O)c2cc(=O)c3ccccc3[n-]2)C[C@@H]1O ZINC001739597755 1290218390 /nfs/dbraw/zinc/21/83/90/1290218390.db2.gz NHZFOXRSJBDZFL-WBVHZDCISA-N -1 3 355.394 0.796 10 0 FCAEHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1C[C@]2(CCOC2)Oc2ccccc21 ZINC001623771093 1290237284 /nfs/dbraw/zinc/23/72/84/1290237284.db2.gz RRYFWLPEAZVGDQ-BTDLBPIBSA-N -1 3 358.354 0.883 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCCS(=O)(=O)NC(C)(C)C)c1 ZINC001624421336 1290272114 /nfs/dbraw/zinc/27/21/14/1290272114.db2.gz PAUSGNMENGJYHP-UHFFFAOYSA-N -1 3 369.443 0.964 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H](F)C1CN(C(=O)OC(C)(C)C)C1 ZINC001627152739 1290440453 /nfs/dbraw/zinc/44/04/53/1290440453.db2.gz JHYDUPZIKJTILK-VXGBXAGGSA-N -1 3 356.398 0.820 10 0 FCAEHM CC=C(C)C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)n1 ZINC001739983710 1290459148 /nfs/dbraw/zinc/45/91/48/1290459148.db2.gz UEXFACUIMRBLSM-NXHZUBJFSA-N -1 3 370.413 0.908 10 0 FCAEHM CS(=O)(=O)Nc1cc(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)ccc1F ZINC001628255535 1290520630 /nfs/dbraw/zinc/52/06/30/1290520630.db2.gz RXOVBDINULNPFB-UHFFFAOYSA-N -1 3 372.403 0.912 10 0 FCAEHM O=C(N[C@@H]1CC(=O)N(C2CC2)C1)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001629606831 1290614585 /nfs/dbraw/zinc/61/45/85/1290614585.db2.gz KWMYJJGUXHPXCV-LLVKDONJSA-N -1 3 372.356 0.367 10 0 FCAEHM O=C(N[C@@H]1CC(=O)N(C2CC2)C1)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001629606831 1290614596 /nfs/dbraw/zinc/61/45/96/1290614596.db2.gz KWMYJJGUXHPXCV-LLVKDONJSA-N -1 3 372.356 0.367 10 0 FCAEHM Cc1cc(C(=O)N2C[C@@H](C)N(CCO)C[C@H]2C)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC001630284770 1290656473 /nfs/dbraw/zinc/65/64/73/1290656473.db2.gz VGVSJLOIPACZFM-GHMZBOCLSA-N -1 3 361.402 0.272 10 0 FCAEHM Cn1cncc1[C@H](CO)NC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001630600885 1290680672 /nfs/dbraw/zinc/68/06/72/1290680672.db2.gz ZVIMHRVUHIDZDQ-LBPRGKRZSA-N -1 3 373.344 0.071 10 0 FCAEHM Cn1cncc1[C@H](CO)NC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001630600885 1290680682 /nfs/dbraw/zinc/68/06/82/1290680682.db2.gz ZVIMHRVUHIDZDQ-LBPRGKRZSA-N -1 3 373.344 0.071 10 0 FCAEHM C[C@H](C(=O)NCCCc1c[n-][nH]c1=O)[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001630632476 1290683257 /nfs/dbraw/zinc/68/32/57/1290683257.db2.gz UMDZYKLLDKZLIN-AVGNSLFASA-N -1 3 370.450 0.479 10 0 FCAEHM O=C(CCNC(=O)c1[nH]nc2ccccc21)NCCCc1c[n-][nH]c1=O ZINC001630632430 1290683681 /nfs/dbraw/zinc/68/36/81/1290683681.db2.gz SZIMCRSPVGIATJ-LLVKDONJSA-N -1 3 356.386 0.311 10 0 FCAEHM CC[C@H](O)Cn1cc(C(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)nn1 ZINC001631301213 1290723864 /nfs/dbraw/zinc/72/38/64/1290723864.db2.gz PCPRTJPCTXUJLZ-VIFPVBQESA-N -1 3 358.358 0.964 10 0 FCAEHM O=C(c1nnc2ccccc2c1[O-])N1CCC2(CC1)C[C@H](O)CNC2=O ZINC001643236936 1290865144 /nfs/dbraw/zinc/86/51/44/1290865144.db2.gz NHTHWHCZLXZVLY-NSHDSACASA-N -1 3 356.382 0.439 10 0 FCAEHM Cn1nccc1[C@@H](O)C1CCN(Cc2nc3c(c(=O)[n-]2)COCC3)CC1 ZINC001643928415 1290929593 /nfs/dbraw/zinc/92/95/93/1290929593.db2.gz VABNXAYXENXNLK-KRWDZBQOSA-N -1 3 359.430 0.934 10 0 FCAEHM O=c1[n-]c(=O)n(Cn2nnc3ccccc32)cc1I ZINC001643932418 1290930704 /nfs/dbraw/zinc/93/07/04/1290930704.db2.gz VLBOIUSDSZRIMW-UHFFFAOYSA-N -1 3 369.122 0.804 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)Cn3c4ccccc4[nH]c3=O)CC2)n1 ZINC001644863208 1290989749 /nfs/dbraw/zinc/98/97/49/1290989749.db2.gz BXKHPRZAEWMKQF-UHFFFAOYSA-N -1 3 368.397 0.895 10 0 FCAEHM CCC1(CC)NC(=O)N(CC(=O)NCc2cc(=O)[n-]c(C3CC3)n2)C1=O ZINC001645196125 1291008223 /nfs/dbraw/zinc/00/82/23/1291008223.db2.gz LRXVSLKWTHIHBY-UHFFFAOYSA-N -1 3 361.402 0.786 10 0 FCAEHM C/C=C\[C@@H](O)C(=O)NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1 ZINC001646003850 1291053369 /nfs/dbraw/zinc/05/33/69/1291053369.db2.gz BPFPMTYVMMNSHN-ISALQUGTSA-N -1 3 352.391 0.760 10 0 FCAEHM CS(=O)(=O)NCCc1ccc(C(=O)NCCCc2c[n-][nH]c2=O)cc1 ZINC001647858353 1291079212 /nfs/dbraw/zinc/07/92/12/1291079212.db2.gz HCPFJKJYVITADP-CQSZACIVSA-N -1 3 366.443 0.020 10 0 FCAEHM O=C(CCNC(=O)c1cc2ccccc2[nH]1)NCCCc1c[n-][nH]c1=O ZINC001647858758 1291079571 /nfs/dbraw/zinc/07/95/71/1291079571.db2.gz KACBPWJZYGBBCI-ZDUSSCGKSA-N -1 3 355.398 0.916 10 0 FCAEHM Cc1ccn(C[C@](C)(O)C(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)c(=O)c1 ZINC001647878024 1291081004 /nfs/dbraw/zinc/08/10/04/1291081004.db2.gz LZBDDOVLDUDTPR-XPTSAGLGSA-N -1 3 373.335 0.922 10 0 FCAEHM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)C(=O)Nc1c(F)cccc1F ZINC001650749168 1291178171 /nfs/dbraw/zinc/17/81/71/1291178171.db2.gz RVEYGZVDNJZJJI-UHFFFAOYSA-N -1 3 364.308 0.788 10 0 FCAEHM COC(=O)c1cnc(CCNC(=O)CNC(=O)c2ccc([O-])cc2)s1 ZINC001651247737 1291211559 /nfs/dbraw/zinc/21/15/59/1291211559.db2.gz OYUZORHNKSKUCA-UHFFFAOYSA-N -1 3 363.395 0.724 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCc2nnc3n2CCN(C)C3=O)c1 ZINC001651253619 1291212768 /nfs/dbraw/zinc/21/27/68/1291212768.db2.gz FBMWLYRFJMXWKY-UHFFFAOYSA-N -1 3 370.369 0.124 10 0 FCAEHM CCOC(=O)N1C[C@H](NC(=O)CCc2c(C)nc(C)[n-]c2=O)[C@@H](CO)C1 ZINC001651260483 1291213314 /nfs/dbraw/zinc/21/33/14/1291213314.db2.gz GECRIENKNNDSDR-OCCSQVGLSA-N -1 3 366.418 0.297 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)c3ccc4[nH]c(=O)[nH]c4n3)CC2)n1 ZINC001652070980 1291257935 /nfs/dbraw/zinc/25/79/35/1291257935.db2.gz KZILJESWRYFNCY-UHFFFAOYSA-N -1 3 355.358 0.430 10 0 FCAEHM CC(C)(C)OC(=O)NC1(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)CC1 ZINC001653312944 1291335097 /nfs/dbraw/zinc/33/50/97/1291335097.db2.gz QDBKHNLPGTTYCK-NSHDSACASA-N -1 3 363.418 0.934 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NC2(c3nc(C)no3)CC2)ccc1F ZINC001653704494 1291363449 /nfs/dbraw/zinc/36/34/49/1291363449.db2.gz DVWYJMYLHFMBAM-UHFFFAOYSA-N -1 3 354.363 0.844 10 0 FCAEHM CS(=O)(=O)c1ccc(OCCN2CCC(Cc3nnn[n-]3)CC2)cc1 ZINC001654682918 1291426281 /nfs/dbraw/zinc/42/62/81/1291426281.db2.gz MTKFYFNSCVPVSC-UHFFFAOYSA-N -1 3 365.459 0.937 10 0 FCAEHM CS(=O)(=O)c1ccc(OCCN2CCC(Cc3nn[n-]n3)CC2)cc1 ZINC001654682918 1291426287 /nfs/dbraw/zinc/42/62/87/1291426287.db2.gz MTKFYFNSCVPVSC-UHFFFAOYSA-N -1 3 365.459 0.937 10 0 FCAEHM C[C@@H]1CN(Cc2nnc(-c3ccccc3[O-])o2)C[C@H]1CS(N)(=O)=O ZINC001655743720 1291483237 /nfs/dbraw/zinc/48/32/37/1291483237.db2.gz HLZJOVODICCKSH-MNOVXSKESA-N -1 3 352.416 0.799 10 0 FCAEHM CN(C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)[C@@H]1CCCCN(C)C1=O ZINC001676589145 1292211750 /nfs/dbraw/zinc/21/17/50/1292211750.db2.gz VNKFDFLSZOLGKP-CHWSQXEVSA-N -1 3 362.434 0.413 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N[C@H]1CCN(c2ccccn2)C1 ZINC001679179750 1292296849 /nfs/dbraw/zinc/29/68/49/1292296849.db2.gz CPFLTKXMECCMQZ-UONOGXRCSA-N -1 3 369.429 0.734 10 0 FCAEHM O=C(N[C@H]1CCN(c2ccccn2)C1)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001679179742 1292297683 /nfs/dbraw/zinc/29/76/83/1292297683.db2.gz CPFLTKXMECCMQZ-KBPBESRZSA-N -1 3 369.429 0.734 10 0 FCAEHM O=C(NC[C@H]1CCCCS1(=O)=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001679411852 1292303563 /nfs/dbraw/zinc/30/35/63/1292303563.db2.gz BWYSDACZDSWBCC-VXGBXAGGSA-N -1 3 369.447 0.027 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2ccccc2[O-])CCN1C(=O)CCNC(=O)NC ZINC001684874310 1292349060 /nfs/dbraw/zinc/34/90/60/1292349060.db2.gz MREIKGVDSBJQGK-UONOGXRCSA-N -1 3 362.430 0.821 10 0 FCAEHM CCCNC(=O)CCCC(=O)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@H]1C ZINC001685302423 1292490517 /nfs/dbraw/zinc/49/05/17/1292490517.db2.gz WWUQTWXMIIPQDI-NEPJUHHUSA-N -1 3 350.423 0.220 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CC[C@H](C(=O)N2CCCC2)C1 ZINC001685573333 1292562715 /nfs/dbraw/zinc/56/27/15/1292562715.db2.gz DXBNWCMXTGMSIX-KBPBESRZSA-N -1 3 374.445 0.415 10 0 FCAEHM CC(C)OCCC(=O)NC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001685602786 1292570314 /nfs/dbraw/zinc/57/03/14/1292570314.db2.gz NRHJTZIGPSVCCH-CHWSQXEVSA-N -1 3 350.419 0.822 10 0 FCAEHM C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001685649796 1292583059 /nfs/dbraw/zinc/58/30/59/1292583059.db2.gz REQSNISUMISWBJ-NWDGAFQWSA-N -1 3 364.450 0.706 10 0 FCAEHM C[C@H](NC(=O)C1CCCC1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn[n-]n1)C2 ZINC001686046601 1292744247 /nfs/dbraw/zinc/74/42/47/1292744247.db2.gz BIOCTCAMPFPTEX-QJZXMWHDSA-N -1 3 374.445 0.361 10 0 FCAEHM O=C(CCn1cccn1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O ZINC001686120050 1292773644 /nfs/dbraw/zinc/77/36/44/1292773644.db2.gz ONYJYYPZICJVLF-BNOWGMLFSA-N -1 3 356.386 0.331 10 0 FCAEHM CCN(C[C@@H](O)C(F)(F)F)C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001687790093 1293013607 /nfs/dbraw/zinc/01/36/07/1293013607.db2.gz UKUPRZROMIIGKN-VHSXEESVSA-N -1 3 363.340 0.716 10 0 FCAEHM Cc1nnc([C@H]2CCCN(C(=O)N[C@H]3CCN(c4cc(=O)[n-]cn4)C3)C2)[nH]1 ZINC001687789952 1293013736 /nfs/dbraw/zinc/01/37/36/1293013736.db2.gz PSPAFEPGRJKBMZ-STQMWFEESA-N -1 3 372.433 0.777 10 0 FCAEHM Cc1nnc([C@@H]2CCCN(C(=O)N[C@H]3CCN(c4cc(=O)[n-]cn4)C3)C2)[nH]1 ZINC001687789950 1293013784 /nfs/dbraw/zinc/01/37/84/1293013784.db2.gz PSPAFEPGRJKBMZ-OLZOCXBDSA-N -1 3 372.433 0.777 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CCC(=O)NCc1cccnc1 ZINC000139363435 836008508 /nfs/dbraw/zinc/00/85/08/836008508.db2.gz OUQQEIMFSIMYSU-UHFFFAOYSA-N -1 3 371.850 0.762 10 0 FCAEHM COC(=O)c1nscc1S(=O)(=O)[N-]C[C@H](O)c1ccccc1OC ZINC000751223111 836473207 /nfs/dbraw/zinc/47/32/07/836473207.db2.gz SXJROFYCSZZNQP-JTQLQIEISA-N -1 3 372.424 0.950 10 0 FCAEHM CCOC(=O)c1cc(S(=O)(=O)NC2CCN(CC(=O)[O-])CC2)cn1C ZINC001116684385 846736024 /nfs/dbraw/zinc/73/60/24/846736024.db2.gz CSQRYHLCLLSHFE-UHFFFAOYSA-N -1 3 373.431 0.029 10 0 FCAEHM CC(C)O[C@@]1(CS(=O)(=O)[N-]Cc2ncc3c(n2)CCOC3)CCOC1 ZINC001118557913 847477043 /nfs/dbraw/zinc/47/70/43/847477043.db2.gz UCUZLRUUZXWHDK-INIZCTEOSA-N -1 3 371.459 0.553 10 0 FCAEHM CC12CC(C1)CN2S(=O)(=O)CCCS(=O)(=O)[N-]c1ccnnc1 ZINC001118571866 847483556 /nfs/dbraw/zinc/48/35/56/847483556.db2.gz KGFAEPXWRBGCTE-UHFFFAOYSA-N -1 3 360.461 0.423 10 0 FCAEHM C[C@@]1(C(F)F)CN(C(=O)C(=O)NCc2nc(C(F)(F)F)n[n-]2)CCO1 ZINC001118711599 847550127 /nfs/dbraw/zinc/55/01/27/847550127.db2.gz SQSHEJWUTZYDIH-NSHDSACASA-N -1 3 371.266 0.322 10 0 FCAEHM CO[C@H]1CCN(c2nnc(-c3nnc(Cl)[n-]3)n2C[C@H]2CCOC2)C1 ZINC001123123672 848570531 /nfs/dbraw/zinc/57/05/31/848570531.db2.gz UYANWZRZSRGRAV-ZJUUUORDSA-N -1 3 353.814 0.978 10 0 FCAEHM CO[C@H]1CCN(c2nnc(-c3n[n-]c(Cl)n3)n2C[C@H]2CCOC2)C1 ZINC001123123672 848570538 /nfs/dbraw/zinc/57/05/38/848570538.db2.gz UYANWZRZSRGRAV-ZJUUUORDSA-N -1 3 353.814 0.978 10 0 FCAEHM CO[C@H]1CCN(c2nnc(-c3nnc(Cl)[n-]3)n2C[C@@H]2CCOC2)C1 ZINC001123123671 848570744 /nfs/dbraw/zinc/57/07/44/848570744.db2.gz UYANWZRZSRGRAV-UWVGGRQHSA-N -1 3 353.814 0.978 10 0 FCAEHM CO[C@H]1CCN(c2nnc(-c3n[n-]c(Cl)n3)n2C[C@@H]2CCOC2)C1 ZINC001123123671 848570753 /nfs/dbraw/zinc/57/07/53/848570753.db2.gz UYANWZRZSRGRAV-UWVGGRQHSA-N -1 3 353.814 0.978 10 0 FCAEHM Cn1cc(C(=O)C(=O)Nc2ncc(S(=O)(=O)[N-]C(C)(C)C)s2)cn1 ZINC001132323613 849139673 /nfs/dbraw/zinc/13/96/73/849139673.db2.gz XXLXWKNNTISHGP-UHFFFAOYSA-N -1 3 371.444 0.775 10 0 FCAEHM CCOC(=O)C[C@H](O)C(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001137302282 849262544 /nfs/dbraw/zinc/26/25/44/849262544.db2.gz YKWAMAPDONMGFH-LBPRGKRZSA-N -1 3 362.379 0.128 10 0 FCAEHM O=C(c1c[n-]c2cc(F)c(F)cc2c1=O)N1CC(C2CS(=O)(=O)C2)C1 ZINC001141257271 849387659 /nfs/dbraw/zinc/38/76/59/849387659.db2.gz XIJXBQYLESGSRJ-UHFFFAOYSA-N -1 3 368.361 0.923 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2[C@H](C)CC[C@H](C(N)=O)[C@@H]2C)ccc1F ZINC001143585403 849493500 /nfs/dbraw/zinc/49/35/00/849493500.db2.gz UNMQHJQJPLHBOH-SCVCMEIPSA-N -1 3 371.434 0.848 10 0 FCAEHM C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001144503212 849523923 /nfs/dbraw/zinc/52/39/23/849523923.db2.gz TZDOFAAFADBETE-NXEZZACHSA-N -1 3 370.456 0.860 10 0 FCAEHM CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001144527763 849524898 /nfs/dbraw/zinc/52/48/98/849524898.db2.gz KVIQVBKTEZZOTH-KOLCDFICSA-N -1 3 370.431 0.769 10 0 FCAEHM C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001144527278 849525321 /nfs/dbraw/zinc/52/53/21/849525321.db2.gz DKHTWESWMOUAPC-QPUJVOFHSA-N -1 3 354.432 0.143 10 0 FCAEHM CN(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)cc1 ZINC001164323337 850407594 /nfs/dbraw/zinc/40/75/94/850407594.db2.gz VYIPVVZCLVVZQY-GFCCVEGCSA-N -1 3 364.427 0.995 10 0 FCAEHM CCOc1ccccc1C(=O)NCC(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001164338857 850409162 /nfs/dbraw/zinc/40/91/62/850409162.db2.gz PSZFKVONHIDRSN-UHFFFAOYSA-N -1 3 362.411 0.916 10 0 FCAEHM CCN(C1CCN(Cc2nc3c(c(=O)[n-]2)COCC3)CC1)S(C)(=O)=O ZINC001167843571 850555032 /nfs/dbraw/zinc/55/50/32/850555032.db2.gz JZNZQCFCTHYARR-UHFFFAOYSA-N -1 3 370.475 0.501 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](O)Cc2ccccc2F)c(C)o1 ZINC001177980442 850877748 /nfs/dbraw/zinc/87/77/48/850877748.db2.gz DPEUBYDSHQGXBJ-GFCCVEGCSA-N -1 3 370.402 0.969 10 0 FCAEHM C[C@@H](NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)c1nc(C(F)(F)F)n[n-]1 ZINC001179182086 850960038 /nfs/dbraw/zinc/96/00/38/850960038.db2.gz AVIQOEGPZSSPRF-RQJHMYQMSA-N -1 3 367.328 0.886 10 0 FCAEHM COC(=O)CCCO[N-]C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21 ZINC001179176961 850960221 /nfs/dbraw/zinc/96/02/21/850960221.db2.gz NVKGBEUGNNOCRC-COPLHBTASA-N -1 3 359.448 0.713 10 0 FCAEHM C[C@H](NC(=O)c1ccc(-n2cnnn2)cn1)c1nc(C(F)(F)F)n[n-]1 ZINC001179183633 850960318 /nfs/dbraw/zinc/96/03/18/850960318.db2.gz WFQZJDGXIFAYGH-LURJTMIESA-N -1 3 353.268 0.685 10 0 FCAEHM COC(=O)c1cc(NC(=O)C[C@H]2CCS(=O)(=O)C2)c([O-])c(OC)c1 ZINC001179883518 851003929 /nfs/dbraw/zinc/00/39/29/851003929.db2.gz MCXQNFZMPMBKOS-SECBINFHSA-N -1 3 357.384 0.951 10 0 FCAEHM O=C(CC[C@H]1CC[C@H](C2OCCO2)O1)Nc1n[n-]c(SCCO)n1 ZINC001182930753 851209618 /nfs/dbraw/zinc/20/96/18/851209618.db2.gz GEBRKMTZUWAOQR-NXEZZACHSA-N -1 3 358.420 0.528 10 0 FCAEHM COCCO[C@H]1C[C@H](CO)CN(C(=O)Cc2c(C)nc(C)[n-]c2=O)C1 ZINC001183334291 851243259 /nfs/dbraw/zinc/24/32/59/851243259.db2.gz VYECROZJETUQDN-KBPBESRZSA-N -1 3 353.419 0.214 10 0 FCAEHM COC(=O)c1sc2[n-]c(CN3CC[C@@H](O)[C@@H](O)C3)nc(=O)c2c1C ZINC001196992203 853045657 /nfs/dbraw/zinc/04/56/57/853045657.db2.gz LPAXHNAKSMRYCX-BDAKNGLRSA-N -1 3 353.400 0.007 10 0 FCAEHM CN(Cc1ccccc1)C(=O)Cc1noc([C@@H]2CCS(=O)(=O)[N-]2)n1 ZINC001261506585 858572036 /nfs/dbraw/zinc/57/20/36/858572036.db2.gz XXLCIFKTDABMAH-LBPRGKRZSA-N -1 3 350.400 0.635 10 0 FCAEHM CC12CC(C1)CN2C(=O)C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001261653041 858622165 /nfs/dbraw/zinc/62/21/65/858622165.db2.gz ZCLSIFDMZMRNHZ-NLTNOIMHSA-N -1 3 361.364 0.914 10 0 FCAEHM CCc1nn(C)c(CC)c1S(=O)(=O)NC1CCN(CC(=O)[O-])CC1 ZINC001261844977 858684559 /nfs/dbraw/zinc/68/45/59/858684559.db2.gz JRZOQJQGJFDUFJ-UHFFFAOYSA-N -1 3 358.464 0.372 10 0 FCAEHM CC(C)Oc1ccc(S(=O)(=O)N(C)C)cc1[N-]C(=O)c1nnn(C)n1 ZINC001265319057 859456934 /nfs/dbraw/zinc/45/69/34/859456934.db2.gz UZIHKRWIYBZCJA-UHFFFAOYSA-N -1 3 368.419 0.500 10 0 FCAEHM CO[C@H](C)CC(=O)NC[C@H]1CC[C@@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001282104919 864056388 /nfs/dbraw/zinc/05/63/88/864056388.db2.gz VKCZDHFRYADSNJ-KGYLQXTDSA-N -1 3 350.419 0.930 10 0 FCAEHM CC[C@@H](C(=O)N[C@@H]1CC[C@H](CNC(=O)c2[nH]nc(C)c2[O-])C1)N(C)C ZINC001282109815 864060956 /nfs/dbraw/zinc/06/09/56/864060956.db2.gz JTNSYHQIGMNJKT-XQQFMLRXSA-N -1 3 351.451 0.779 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCC(C)(F)F)C1 ZINC001289120189 864929228 /nfs/dbraw/zinc/92/92/28/864929228.db2.gz BQFBSVHZPDTHCP-NXEZZACHSA-N -1 3 358.345 0.228 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CN(C(=O)C[C@H](C)C(C)C)C[C@H]1O ZINC001289163062 864958780 /nfs/dbraw/zinc/95/87/80/864958780.db2.gz JMGIKUBAOMREFV-CYZMBNFOSA-N -1 3 350.419 0.474 10 0 FCAEHM CC[C@H](C)CCC(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@H](OC)C1 ZINC001289501955 865103675 /nfs/dbraw/zinc/10/36/75/865103675.db2.gz XMSQEXFAMJHKOU-IACUBPJLSA-N -1 3 350.419 0.964 10 0 FCAEHM CC[C@@H](C(=O)NC[C@H]1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1)N(C)C ZINC001290220014 865360778 /nfs/dbraw/zinc/36/07/78/865360778.db2.gz SJJOXMFDKZGNEU-XQQFMLRXSA-N -1 3 351.451 0.779 10 0 FCAEHM O=C(CCOCC(F)(F)F)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn[n-]n1)C2 ZINC001291924711 865655111 /nfs/dbraw/zinc/65/51/11/865655111.db2.gz PCLTUMJYEMDGOT-YWVKMMECSA-N -1 3 361.324 0.635 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001292970552 865765537 /nfs/dbraw/zinc/76/55/37/865765537.db2.gz ZFUIOWWAYVGTJG-HZMBPMFUSA-N -1 3 351.428 0.822 10 0 FCAEHM CON(C)S(=O)(=O)c1cccc(C(=O)NCCc2c(C)[n-][nH]c2=O)c1 ZINC001292967976 865765571 /nfs/dbraw/zinc/76/55/71/865765571.db2.gz IGPODUJQDKLWSH-CYBMUJFWSA-N -1 3 368.415 0.110 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc2ncc(Br)cn2n1 ZINC001292970126 865766002 /nfs/dbraw/zinc/76/60/02/865766002.db2.gz SMZXZFMPGGJHST-SECBINFHSA-N -1 3 365.191 0.734 10 0 FCAEHM C[C@@H](O)CN1CCN(C(=O)c2nc[n-]c(=O)c2Br)[C@H](C)C1 ZINC001296815314 865990781 /nfs/dbraw/zinc/99/07/81/865990781.db2.gz VQSYDIHKQFZWKP-RKDXNWHRSA-N -1 3 359.224 0.472 10 0 FCAEHM COCCO[C@@H]1C[C@H](CO)CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001297261665 866017921 /nfs/dbraw/zinc/01/79/21/866017921.db2.gz YAVGDMCLBPFSFJ-WCQYABFASA-N -1 3 351.403 0.546 10 0 FCAEHM Cn1c(=O)c2cc([N-]C(=O)c3ocnc3C(F)F)cnc2n(C)c1=O ZINC001349063442 866221063 /nfs/dbraw/zinc/22/10/63/866221063.db2.gz FPYCFXOMSAVIHE-UHFFFAOYSA-N -1 3 351.269 0.810 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]CCS(=O)(=O)C(C)C)on1 ZINC001351373242 866843159 /nfs/dbraw/zinc/84/31/59/866843159.db2.gz CJBTZRLDVFWBAO-UHFFFAOYSA-N -1 3 368.433 0.094 10 0 FCAEHM COC(=O)[C@]1(N2CCN([C@H](C)c3nc(C)cc(=O)[n-]3)CC2)CCOC1 ZINC001351421299 866856894 /nfs/dbraw/zinc/85/68/94/866856894.db2.gz HHOJKVWBLGDREW-DYVFJYSZSA-N -1 3 350.419 0.501 10 0 FCAEHM COC[C@@](C)(O)CCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC001324582511 869626606 /nfs/dbraw/zinc/62/66/06/869626606.db2.gz NYFPBNWTGZTEGD-INIZCTEOSA-N -1 3 374.434 0.784 10 0 FCAEHM CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001326341854 870265742 /nfs/dbraw/zinc/26/57/42/870265742.db2.gz YICPTKXMOVROIA-AWEZNQCLSA-N -1 3 357.451 0.620 10 0 FCAEHM O=C(NCc1nc(C(F)(F)F)n[n-]1)C(=O)NCc1ccc(Cl)cn1 ZINC001326721070 870467727 /nfs/dbraw/zinc/46/77/27/870467727.db2.gz PZZSMCGQLPYDGY-UHFFFAOYSA-N -1 3 362.699 0.805 10 0 FCAEHM C[C@H](CC(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@@H]1O)C(F)(F)F ZINC001343686997 870551497 /nfs/dbraw/zinc/55/14/97/870551497.db2.gz PWXCJUZWONOAKK-QNSHHTMESA-N -1 3 362.308 0.072 10 0 FCAEHM O=C(OCC1CCC(O)CC1)c1ccc(S(=O)(=O)[N-]CCO)s1 ZINC001343864903 870640319 /nfs/dbraw/zinc/64/03/19/870640319.db2.gz IIMXGNLCNVVEJA-UHFFFAOYSA-N -1 3 363.457 0.727 10 0 FCAEHM CC(=O)NCCN(C(=O)C[C@H](N)c1cc(C)nc(Cl)c1)[C@H](C)C(=O)[O-] ZINC001327241029 870737410 /nfs/dbraw/zinc/73/74/10/870737410.db2.gz UBWDHPNTZIGVDJ-MFKMUULPSA-N -1 3 370.837 0.871 10 0 FCAEHM Cc1nc(C)c(CC(=O)NCC(=O)N(C)OCC(F)(F)F)c(=O)[n-]1 ZINC001329037661 871789958 /nfs/dbraw/zinc/78/99/58/871789958.db2.gz PDKXEZDNTJHIMV-UHFFFAOYSA-N -1 3 350.297 0.410 10 0 FCAEHM C[C@@H]1CN(C(=O)CC(C)(C)O)C[C@H]1CCNC(=O)c1cnc[n-]c1=O ZINC001346485662 871863598 /nfs/dbraw/zinc/86/35/98/871863598.db2.gz HMBYUKUXWSBKPO-VXGBXAGGSA-N -1 3 350.419 0.558 10 0 FCAEHM O=C1CC[C@@H](c2noc([C@@H]3CCS(=O)(=O)[N-]3)n2)CN1CC1CCC1 ZINC001329443325 872033470 /nfs/dbraw/zinc/03/34/70/872033470.db2.gz WQKMQZUZSDSFTM-NEPJUHHUSA-N -1 3 354.432 0.940 10 0 FCAEHM O=C([O-])CCCN1CCC(NS(=O)(=O)c2cnn(CC3CC3)c2)CC1 ZINC001329672884 872169962 /nfs/dbraw/zinc/16/99/62/872169962.db2.gz QVUJNWHBYHQAAN-UHFFFAOYSA-N -1 3 370.475 0.901 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)c3[nH]ncc3Br)CC2)n1 ZINC001347269593 872253214 /nfs/dbraw/zinc/25/32/14/872253214.db2.gz LICIYXLIOJXBTF-UHFFFAOYSA-N -1 3 367.207 0.939 10 0 FCAEHM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCOC2(CCN(C)CC2)C1 ZINC001330057183 872441082 /nfs/dbraw/zinc/44/10/82/872441082.db2.gz VDCBCFGXLGIZKL-UHFFFAOYSA-N -1 3 358.416 0.772 10 0 FCAEHM CN(C)CCCS(=O)(=O)N1C[C@H](C(=O)[O-])C[C@H](c2cnn(C)c2)C1 ZINC001330273422 872550619 /nfs/dbraw/zinc/55/06/19/872550619.db2.gz CYMKJNBOXQGCLH-QWHCGFSZSA-N -1 3 358.464 0.192 10 0 FCAEHM Cn1c(CCN2CCN([C@]3(C(=O)[O-])CCOC3)CC2)nc2ccccc21 ZINC000886071938 980210732 /nfs/dbraw/zinc/21/07/32/980210732.db2.gz QPEHLFFETOBQCH-LJQANCHMSA-N -1 3 358.442 0.977 10 0 FCAEHM C[C@@H](CO)N(C)C(=O)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000291642831 214048819 /nfs/dbraw/zinc/04/88/19/214048819.db2.gz TZVWABYTJDFMAY-VIFPVBQESA-N -1 3 354.350 0.823 10 0 FCAEHM CC(C)N(C(=O)Cn1cc(Br)c(=O)[n-]c1=O)[C@H]1CCOC1 ZINC000291668566 214049780 /nfs/dbraw/zinc/04/97/80/214049780.db2.gz RAQNHTIGGFGOIG-VIFPVBQESA-N -1 3 360.208 0.737 10 0 FCAEHM CCc1noc(C)c1C[N-]S(=O)(=O)c1ccc(S(=O)(=O)NC)cc1 ZINC000292825535 214126164 /nfs/dbraw/zinc/12/61/64/214126164.db2.gz OHKCWNPYAIUBFZ-UHFFFAOYSA-N -1 3 373.456 0.932 10 0 FCAEHM Cc1nccnc1CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000294458184 214246769 /nfs/dbraw/zinc/24/67/69/214246769.db2.gz HXHHMEYDCMGYPD-LBPRGKRZSA-N -1 3 366.418 0.950 10 0 FCAEHM COC(=O)[C@@H](CF)[N-]S(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000295152558 214280558 /nfs/dbraw/zinc/28/05/58/214280558.db2.gz AJEBGCBTAFFDIW-SECBINFHSA-N -1 3 373.811 0.533 10 0 FCAEHM CCOc1ccncc1S(=O)(=O)[N-]C(C)(C)CCS(C)(=O)=O ZINC000295370027 214293083 /nfs/dbraw/zinc/29/30/83/214293083.db2.gz ZUZOIQJFMBYOAI-UHFFFAOYSA-N -1 3 350.462 0.972 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1ccc(NC[C@H]2CCCO2)c(F)c1 ZINC000265761282 210215913 /nfs/dbraw/zinc/21/59/13/210215913.db2.gz AYGKUMUWQHEYKJ-LLVKDONJSA-N -1 3 350.350 0.907 10 0 FCAEHM CN1C[C@@H](NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)CCC1=O ZINC000265743354 210211027 /nfs/dbraw/zinc/21/10/27/210211027.db2.gz DRGUGXZKYAXXEK-AWEZNQCLSA-N -1 3 360.414 0.480 10 0 FCAEHM CCc1ncc(S(=O)(=O)[N-][C@H]2CCC[C@H]2CNS(C)(=O)=O)s1 ZINC000409798442 529759307 /nfs/dbraw/zinc/75/93/07/529759307.db2.gz OHJQMKRYGBPCAH-UWVGGRQHSA-N -1 3 367.518 0.702 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000265670958 210193809 /nfs/dbraw/zinc/19/38/09/210193809.db2.gz BFWDVBNLBCEREM-WDEREUQCSA-N -1 3 357.407 0.230 10 0 FCAEHM C[C@@H]1CN(Cc2ccccc2NC(=O)CN2CC(=O)[N-]C2=O)C[C@@H](C)O1 ZINC000265429146 210133326 /nfs/dbraw/zinc/13/33/26/210133326.db2.gz FNSHLULADOGVNN-CHWSQXEVSA-N -1 3 360.414 0.786 10 0 FCAEHM COCCC1(C)CN(S(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)C1 ZINC000288425323 213760427 /nfs/dbraw/zinc/76/04/27/213760427.db2.gz OUMRJKFTMAIKLV-UHFFFAOYSA-N -1 3 368.415 0.081 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000264894299 210009582 /nfs/dbraw/zinc/00/95/82/210009582.db2.gz WAHHCOWCDWDBNB-UHFFFAOYSA-N -1 3 362.411 0.366 10 0 FCAEHM Nc1cc(CCCNC(=O)CN2CC(=O)[N-]C2=O)nn1-c1ccccc1 ZINC000264872441 210006104 /nfs/dbraw/zinc/00/61/04/210006104.db2.gz RLBLBSLLPOCUTD-UHFFFAOYSA-N -1 3 356.386 0.055 10 0 FCAEHM C[C@]1(C[C@@H]2CCCN2S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)NC(=O)[N-]C1=O ZINC000333172239 215245837 /nfs/dbraw/zinc/24/58/37/215245837.db2.gz NZGIRPJYGLPJDN-FDZNKFEOSA-N -1 3 355.460 0.957 10 0 FCAEHM Cn1c(=O)cc(C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c2ccccc21 ZINC000333371576 215271533 /nfs/dbraw/zinc/27/15/33/215271533.db2.gz ZQJKWVPKFWTLHA-SFHVURJKSA-N -1 3 354.366 0.353 10 0 FCAEHM CC(C)(C)[C@@H](O)C[C@@H](CO)NC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000285729822 213385351 /nfs/dbraw/zinc/38/53/51/213385351.db2.gz DSRXWYOKWWDJKV-QWRGUYRKSA-N -1 3 364.489 0.301 10 0 FCAEHM CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000285729820 213384602 /nfs/dbraw/zinc/38/46/02/213384602.db2.gz DSRXWYOKWWDJKV-GHMZBOCLSA-N -1 3 364.489 0.301 10 0 FCAEHM COc1cccc(N2CC[C@H](CNC(=O)c3cn(C)c(=O)[n-]c3=O)C2)c1 ZINC000263946463 209794601 /nfs/dbraw/zinc/79/46/01/209794601.db2.gz YSSKPSANTRRPJE-GFCCVEGCSA-N -1 3 358.398 0.751 10 0 FCAEHM C[C@@H]1CCN(CC2CN(S(C)(=O)=O)C2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000931074147 674090870 /nfs/dbraw/zinc/09/08/70/674090870.db2.gz AGYXQHMJRXUROU-KOLCDFICSA-N -1 3 357.398 0.267 10 0 FCAEHM COCCCN(CCO)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000364120302 215636720 /nfs/dbraw/zinc/63/67/20/215636720.db2.gz MWXWSIOVEPWTED-OAHLLOKOSA-N -1 3 350.415 0.854 10 0 FCAEHM C[C@H](O)[C@@H]1CN(C(=O)CC[N-]S(=O)(=O)c2ccccc2F)CCO1 ZINC000412908683 237253405 /nfs/dbraw/zinc/25/34/05/237253405.db2.gz DGSBZMPTACYUHJ-AAEUAGOBSA-N -1 3 360.407 0.102 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCOC[C@H]1Cc1c[nH]c2ccccc12 ZINC000367022594 216064320 /nfs/dbraw/zinc/06/43/20/216064320.db2.gz IZSCVADQMGICLW-DOMZBBRYSA-N -1 3 356.382 0.536 10 0 FCAEHM C[C@H]1CCOCCN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000367672764 216149452 /nfs/dbraw/zinc/14/94/52/216149452.db2.gz OBYBQYRAGBLIAN-JTQLQIEISA-N -1 3 366.436 0.997 10 0 FCAEHM COc1nc(NC(=O)CN2C(=O)N[C@@]3(C[C@H](C)C[C@H](C)C3)C2=O)n[n-]1 ZINC000368049936 216196212 /nfs/dbraw/zinc/19/62/12/216196212.db2.gz XZFGKABXKKZRIG-IEVQFXQGSA-N -1 3 350.379 0.499 10 0 FCAEHM COc1nnc(NC(=O)CN2C(=O)N[C@@]3(C[C@H](C)C[C@H](C)C3)C2=O)[n-]1 ZINC000368049936 216196215 /nfs/dbraw/zinc/19/62/15/216196215.db2.gz XZFGKABXKKZRIG-IEVQFXQGSA-N -1 3 350.379 0.499 10 0 FCAEHM COc1n[n-]c(NC(=O)CN2C(=O)N[C@@]3(C[C@H](C)C[C@H](C)C3)C2=O)n1 ZINC000368049936 216196219 /nfs/dbraw/zinc/19/62/19/216196219.db2.gz XZFGKABXKKZRIG-IEVQFXQGSA-N -1 3 350.379 0.499 10 0 FCAEHM C[C@@H]1CN(S(=O)(=O)[N-][C@@H]2CCCN(c3cccnc3)C2=O)C[C@H](C)O1 ZINC000368252040 216225112 /nfs/dbraw/zinc/22/51/12/216225112.db2.gz HQRHRIRGGICBGF-VNHYZAJKSA-N -1 3 368.459 0.521 10 0 FCAEHM Cc1cnn(-c2ccc(C(=O)N3CCC[C@@]4(C3)NC(=O)[N-]C4=O)cc2)c1 ZINC000194996061 209331597 /nfs/dbraw/zinc/33/15/97/209331597.db2.gz WJBGWPDQMCKSBW-SFHVURJKSA-N -1 3 353.382 0.995 10 0 FCAEHM Cn1cc(C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c(-c2ccccc2)n1 ZINC000195001897 209332200 /nfs/dbraw/zinc/33/22/00/209332200.db2.gz NAMHJUSEXBDBTK-GOSISDBHSA-N -1 3 353.382 0.901 10 0 FCAEHM Cc1nc([C@@H]([N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C)c2ccccc2)n[nH]1 ZINC000193895431 209319408 /nfs/dbraw/zinc/31/94/08/209319408.db2.gz MXCOLNNSUQXKDL-GWCFXTLKSA-N -1 3 351.432 0.599 10 0 FCAEHM Cc1nc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)ccc1I ZINC000192688087 209302450 /nfs/dbraw/zinc/30/24/50/209302450.db2.gz BMSBKZBATNRYEL-ZETCQYMHSA-N -1 3 374.138 0.531 10 0 FCAEHM COCCCS(=O)(=O)[N-]CC(=O)Nc1nnc(-c2c[nH]nc2C)s1 ZINC000368734913 216289651 /nfs/dbraw/zinc/28/96/51/216289651.db2.gz XTWREKFQTABSEQ-UHFFFAOYSA-N -1 3 374.448 0.131 10 0 FCAEHM CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1cnc([O-])n(C)c1=O ZINC000368754335 216291424 /nfs/dbraw/zinc/29/14/24/216291424.db2.gz SKFXEPWMDMHFTE-IBGZPJMESA-N -1 3 372.425 0.195 10 0 FCAEHM O=C([N-]c1cnns1)C(=O)N1CCN(c2nc3ccccc3o2)CC1 ZINC000192026464 209294716 /nfs/dbraw/zinc/29/47/16/209294716.db2.gz MCEVOKLPDOZKDS-UHFFFAOYSA-N -1 3 358.383 0.967 10 0 FCAEHM CCS(=O)(=O)C[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000369287898 216378132 /nfs/dbraw/zinc/37/81/32/216378132.db2.gz LSCSUIHWSXKIRM-JSGCOSHPSA-N -1 3 368.455 0.936 10 0 FCAEHM CN(C)c1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)[N-]C3=O)cc1 ZINC000276888587 212304004 /nfs/dbraw/zinc/30/40/04/212304004.db2.gz JRYAXLRVTGZQTF-UHFFFAOYSA-N -1 3 352.416 0.115 10 0 FCAEHM C[C@H](CNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F)c1nncn1C ZINC000276549165 212253527 /nfs/dbraw/zinc/25/35/27/212253527.db2.gz FWRDVQSLMNUFEJ-MNOVXSKESA-N -1 3 369.422 0.541 10 0 FCAEHM COC(=O)NCCc1ccc(S(=O)(=O)[N-]CCCNC(C)=O)s1 ZINC000276302991 212208263 /nfs/dbraw/zinc/20/82/63/212208263.db2.gz BMGQUFLWYDWHTN-UHFFFAOYSA-N -1 3 363.461 0.451 10 0 FCAEHM CCOC(=O)c1csc(CC[N-]S(=O)(=O)c2cn(C)c(C)n2)n1 ZINC000276320069 212211117 /nfs/dbraw/zinc/21/11/17/212211117.db2.gz GVBGQPZFZUSDRJ-UHFFFAOYSA-N -1 3 358.445 0.883 10 0 FCAEHM CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[N-]S(=O)(=O)[C@H]1CCO[C@H]1C ZINC000276063522 212150095 /nfs/dbraw/zinc/15/00/95/212150095.db2.gz QGDICMAOBLKDDL-UVBJJODRSA-N -1 3 365.455 0.922 10 0 FCAEHM CCO[C@@H]1C[C@@]([N-]S(=O)(=O)c2cn(C)c(C)n2)(C(=O)OC)C1(C)C ZINC000275913338 212118405 /nfs/dbraw/zinc/11/84/05/212118405.db2.gz FBDRXIONAIZURM-IAQYHMDHSA-N -1 3 359.448 0.754 10 0 FCAEHM CC(C)[C@@H](O)C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000275707860 212076911 /nfs/dbraw/zinc/07/69/11/212076911.db2.gz GNYQTQBEOSNNKC-NSHDSACASA-N -1 3 350.462 0.232 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CC(OC(=O)Nc2cccc(F)c2)C1 ZINC000275583645 212055023 /nfs/dbraw/zinc/05/50/23/212055023.db2.gz ZOSXRAQYQILQIC-UHFFFAOYSA-N -1 3 350.306 0.137 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N(C)CC1(O)CCOCC1 ZINC000275502116 212038852 /nfs/dbraw/zinc/03/88/52/212038852.db2.gz VJAYLMIWROOTOR-LBPRGKRZSA-N -1 3 374.434 0.492 10 0 FCAEHM C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cn(C)c(=O)[n-]c1=O ZINC000275116669 211965797 /nfs/dbraw/zinc/96/57/97/211965797.db2.gz OJHHLNUFLNMBJJ-JQWIXIFHSA-N -1 3 366.418 0.861 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CC[C@H](Cc3ccncc3)C2)c1 ZINC000374711258 217160447 /nfs/dbraw/zinc/16/04/47/217160447.db2.gz GUIVSRXJHMKAGS-CQSZACIVSA-N -1 3 363.443 0.185 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CC[C@@H](Cc3ccncc3)C2)c1 ZINC000374711254 217160582 /nfs/dbraw/zinc/16/05/82/217160582.db2.gz GUIVSRXJHMKAGS-AWEZNQCLSA-N -1 3 363.443 0.185 10 0 FCAEHM COc1ccc(C2=NO[C@@H](CNC(=O)C[C@@H]3NC(=O)[N-]C3=O)C2)cc1C ZINC000374883134 217185849 /nfs/dbraw/zinc/18/58/49/217185849.db2.gz WMJGURBZAZTBGM-YPMHNXCESA-N -1 3 360.370 0.211 10 0 FCAEHM C[C@H]1N(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)CCC12CCOCC2 ZINC000374941401 217193732 /nfs/dbraw/zinc/19/37/32/217193732.db2.gz BQEFTZHMNSTSGC-GFCCVEGCSA-N -1 3 356.448 0.116 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[C@@]3(C2)CCCOC3)cn1C ZINC000375323369 217249675 /nfs/dbraw/zinc/24/96/75/217249675.db2.gz FIUPNLXXJSFWBL-MRXNPFEDSA-N -1 3 370.475 0.426 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CCO[C@]2(CCOC2)C1 ZINC000274451854 211849939 /nfs/dbraw/zinc/84/99/39/211849939.db2.gz MZISPPWVUYYJFG-CQSZACIVSA-N -1 3 360.457 0.434 10 0 FCAEHM COc1cccc(N2C[C@@H](NC(=O)c3cn(C)c(=O)[n-]c3=O)CC2=O)c1 ZINC000375780483 217312687 /nfs/dbraw/zinc/31/26/87/217312687.db2.gz YLHLDVFDYKETSZ-JTQLQIEISA-N -1 3 358.354 0.030 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)N1CC(F)(F)C[C@H]1CO ZINC000375979850 217341523 /nfs/dbraw/zinc/34/15/23/217341523.db2.gz HSVLPBONMXBAQZ-VIFPVBQESA-N -1 3 369.415 0.438 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CCC[C@@H]2c2cc[nH]n2)cn1C ZINC000376093157 217355784 /nfs/dbraw/zinc/35/57/84/217355784.db2.gz NXISLLBAGXYFQE-CYBMUJFWSA-N -1 3 366.447 0.484 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCCC[C@@H]1COC(=O)N1CCCC1 ZINC000376381098 217391826 /nfs/dbraw/zinc/39/18/26/217391826.db2.gz CYDJBWIVVSETKX-NEPJUHHUSA-N -1 3 352.391 0.198 10 0 FCAEHM CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424525364 247250910 /nfs/dbraw/zinc/25/09/10/247250910.db2.gz VZOXXYUJDHAWLX-HNNXBMFYSA-N -1 3 363.458 0.893 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N[C@@H]2CC[C@H]2O)CCCC1 ZINC000425044597 247287944 /nfs/dbraw/zinc/28/79/44/247287944.db2.gz IMVSXIBHLFXDIC-VXGBXAGGSA-N -1 3 357.432 0.522 10 0 FCAEHM COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)[N-][C@@H]1CC[C@H]1O ZINC000425207007 247305664 /nfs/dbraw/zinc/30/56/64/247305664.db2.gz LVYMXGMQKMWTKS-GHMZBOCLSA-N -1 3 362.835 0.852 10 0 FCAEHM Cc1nnc(CCNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])n1C ZINC000436643340 248045513 /nfs/dbraw/zinc/04/55/13/248045513.db2.gz WPUJSPYDSUGQHF-CQSZACIVSA-N -1 3 357.414 0.793 10 0 FCAEHM NC(=O)c1coc(CNC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000436872717 248052809 /nfs/dbraw/zinc/05/28/09/248052809.db2.gz NKAHOZCFOUNKPB-UHFFFAOYSA-N -1 3 372.381 0.752 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c([O-])c1 ZINC000436960886 248054671 /nfs/dbraw/zinc/05/46/71/248054671.db2.gz FSKUGHDXQSYVMU-GZBFAFLISA-N -1 3 359.426 0.946 10 0 FCAEHM C[C@@H](C[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)c1nncn1C ZINC000439204434 248114246 /nfs/dbraw/zinc/11/42/46/248114246.db2.gz ZMAMIIUDXGAMRV-JTQLQIEISA-N -1 3 358.445 0.301 10 0 FCAEHM CN(CCCO)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000442612068 248293574 /nfs/dbraw/zinc/29/35/74/248293574.db2.gz WGCIQJMWNUKRBJ-UHFFFAOYSA-N -1 3 367.830 0.781 10 0 FCAEHM O=C1CNC(=O)N1CCC[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442745786 248294858 /nfs/dbraw/zinc/29/48/58/248294858.db2.gz PTPXUBVCSVUXQZ-UHFFFAOYSA-N -1 3 366.321 0.321 10 0 FCAEHM CCOC(=O)[C@@](C)(O)C[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442753010 248295137 /nfs/dbraw/zinc/29/51/37/248295137.db2.gz NSULGELQEMWRJQ-NSHDSACASA-N -1 3 356.322 0.693 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)Cc1ccccc1N ZINC000443050533 248305033 /nfs/dbraw/zinc/30/50/33/248305033.db2.gz RMCUDRPMWLYPSY-UHFFFAOYSA-N -1 3 369.468 0.998 10 0 FCAEHM COCCN1CCC[C@H]1C[N-]S(=O)(=O)c1csnc1C(=O)OC ZINC000443068062 248305670 /nfs/dbraw/zinc/30/56/70/248305670.db2.gz MVROLTHDDQASEC-JTQLQIEISA-N -1 3 363.461 0.319 10 0 FCAEHM CS(=O)(=O)CCCS(=O)(=O)[N-][C@H](CO)c1c(F)cccc1F ZINC000443276209 248318615 /nfs/dbraw/zinc/31/86/15/248318615.db2.gz XWPFNHHDCCJVQX-LLVKDONJSA-N -1 3 357.400 0.352 10 0 FCAEHM CCc1nc(C(C)(C)NC(=O)C[N-]S(=O)(=O)c2cn(C)c(C)n2)no1 ZINC000443360458 248322053 /nfs/dbraw/zinc/32/20/53/248322053.db2.gz KPFSZWJBDVHSAA-UHFFFAOYSA-N -1 3 370.435 0.004 10 0 FCAEHM CCNC(=O)C1CN(C(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)C1 ZINC000443606682 248332764 /nfs/dbraw/zinc/33/27/64/248332764.db2.gz TYIYVFKTKNCUSJ-UHFFFAOYSA-N -1 3 369.425 0.667 10 0 FCAEHM CCc1ccc(CC)c(NC(=O)C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)c1 ZINC000442049080 248272647 /nfs/dbraw/zinc/27/26/47/248272647.db2.gz QEYZWRMDHBWWBN-CQSZACIVSA-N -1 3 358.398 0.513 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]CC(=O)NCc2ccco2)cc1F ZINC000444871426 248370234 /nfs/dbraw/zinc/37/02/34/248370234.db2.gz KNXXGPRUBUVXDO-UHFFFAOYSA-N -1 3 370.358 0.800 10 0 FCAEHM CNS(=O)(=O)c1cccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)c1 ZINC000445944025 248380623 /nfs/dbraw/zinc/38/06/23/248380623.db2.gz ZWWSLEYRAOVKFG-VIFPVBQESA-N -1 3 351.306 0.972 10 0 FCAEHM CC[C@H]1[C@H](CO)CCN1C(=O)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000452916464 249335021 /nfs/dbraw/zinc/33/50/21/249335021.db2.gz FFFGTWRPIJDJRM-LRDDRELGSA-N -1 3 357.410 0.877 10 0 FCAEHM CC[C@@H]1[C@H](CO)CCN1C(=O)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000452916463 249335558 /nfs/dbraw/zinc/33/55/58/249335558.db2.gz FFFGTWRPIJDJRM-BLLLJJGKSA-N -1 3 357.410 0.877 10 0 FCAEHM COC[C@@](C)(O)CCNC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000458938248 249698244 /nfs/dbraw/zinc/69/82/44/249698244.db2.gz OZXHHTNRJLEUOK-SFHVURJKSA-N -1 3 365.430 0.647 10 0 FCAEHM COc1nnc(NC(=O)[C@@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)[n-]1 ZINC000271312370 211377993 /nfs/dbraw/zinc/37/79/93/211377993.db2.gz VRTGZHBEIVXRSY-WDEREUQCSA-N -1 3 365.390 0.734 10 0 FCAEHM COc1nc(NC(=O)[C@@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)n[n-]1 ZINC000271312370 211378003 /nfs/dbraw/zinc/37/80/03/211378003.db2.gz VRTGZHBEIVXRSY-WDEREUQCSA-N -1 3 365.390 0.734 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)n1 ZINC000271312370 211378009 /nfs/dbraw/zinc/37/80/09/211378009.db2.gz VRTGZHBEIVXRSY-WDEREUQCSA-N -1 3 365.390 0.734 10 0 FCAEHM COc1nnc(NC(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)[n-]1 ZINC000271270271 211368423 /nfs/dbraw/zinc/36/84/23/211368423.db2.gz LSRPRNRTHLUQNU-SNVBAGLBSA-N -1 3 371.353 0.841 10 0 FCAEHM COc1nc(NC(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)n[n-]1 ZINC000271270271 211368427 /nfs/dbraw/zinc/36/84/27/211368427.db2.gz LSRPRNRTHLUQNU-SNVBAGLBSA-N -1 3 371.353 0.841 10 0 FCAEHM COc1n[n-]c(NC(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)n1 ZINC000271270271 211368432 /nfs/dbraw/zinc/36/84/32/211368432.db2.gz LSRPRNRTHLUQNU-SNVBAGLBSA-N -1 3 371.353 0.841 10 0 FCAEHM CN1CC[C@@H](NC(=O)c2[nH]c(=O)[n-]c(=O)c2N)[C@@H]1c1ccc(F)c(F)c1 ZINC000271207015 211355832 /nfs/dbraw/zinc/35/58/32/211355832.db2.gz XWSWDMXYRVQKPU-MFKMUULPSA-N -1 3 365.340 0.923 10 0 FCAEHM COCCCS(=O)(=O)[N-]CC(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000271084629 211331006 /nfs/dbraw/zinc/33/10/06/211331006.db2.gz GAWSDGYTMQHJDA-UHFFFAOYSA-N -1 3 353.404 0.366 10 0 FCAEHM C[C@@H](Cn1cncn1)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000271051224 211323443 /nfs/dbraw/zinc/32/34/43/211323443.db2.gz JNMRPKXAWCFZOK-VIFPVBQESA-N -1 3 373.822 0.163 10 0 FCAEHM CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000270938155 211303649 /nfs/dbraw/zinc/30/36/49/211303649.db2.gz VEWZPAXFWXITES-MNOVXSKESA-N -1 3 356.423 0.784 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC[C@@](C)(O)C(F)(F)F ZINC000270878914 211290191 /nfs/dbraw/zinc/29/01/91/211290191.db2.gz JZJUQRKVBBVEJC-QPUJVOFHSA-N -1 3 372.340 0.922 10 0 FCAEHM CN1C(=O)C[C@@H](C(=O)Nc2nnc(SCCO)[n-]2)[C@H]1c1cccnc1 ZINC000270882382 211289429 /nfs/dbraw/zinc/28/94/29/211289429.db2.gz OXJMIIJUOQWKMP-ZYHUDNBSSA-N -1 3 362.415 0.442 10 0 FCAEHM CN1C(=O)C[C@@H](C(=O)Nc2nc(SCCO)n[n-]2)[C@H]1c1cccnc1 ZINC000270882382 211289433 /nfs/dbraw/zinc/28/94/33/211289433.db2.gz OXJMIIJUOQWKMP-ZYHUDNBSSA-N -1 3 362.415 0.442 10 0 FCAEHM CN1C(=O)C[C@@H](C(=O)Nc2n[n-]c(SCCO)n2)[C@H]1c1cccnc1 ZINC000270882382 211289436 /nfs/dbraw/zinc/28/94/36/211289436.db2.gz OXJMIIJUOQWKMP-ZYHUDNBSSA-N -1 3 362.415 0.442 10 0 FCAEHM CN(C[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)C1)C(=O)OC(C)(C)C ZINC000270751623 211260684 /nfs/dbraw/zinc/26/06/84/211260684.db2.gz JZOQVIUVTJSAGY-QWRGUYRKSA-N -1 3 354.407 0.300 10 0 FCAEHM COC(=O)[C@]1(NC(=O)C[N-]S(=O)(=O)c2cccs2)CCSC1 ZINC000270718387 211254451 /nfs/dbraw/zinc/25/44/51/211254451.db2.gz ZCJUWCBPFRWZTK-LBPRGKRZSA-N -1 3 364.470 0.191 10 0 FCAEHM CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)C[C@@H]2NC(=O)[N-]C2=O)C1 ZINC000270683014 211248626 /nfs/dbraw/zinc/24/86/26/211248626.db2.gz CVEYEMFPXRNKRA-MNOVXSKESA-N -1 3 354.407 0.348 10 0 FCAEHM COC(=O)c1csc(S(=O)(=O)[N-][C@@]2(C(=O)OC)CCSC2)c1 ZINC000270197236 211165691 /nfs/dbraw/zinc/16/56/91/211165691.db2.gz BLRHQSGJAFEEMM-LBPRGKRZSA-N -1 3 365.454 0.862 10 0 FCAEHM CC[C@H](NC(=O)CN1CC(=O)[N-]C1=O)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000270096912 211152746 /nfs/dbraw/zinc/15/27/46/211152746.db2.gz IEOLURRSHFEJFG-WMLDXEAASA-N -1 3 370.413 0.623 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)cn1 ZINC000472641349 250170045 /nfs/dbraw/zinc/17/00/45/250170045.db2.gz JPFLWYOFSNVDSB-CYBMUJFWSA-N -1 3 374.422 0.846 10 0 FCAEHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000472984937 250191082 /nfs/dbraw/zinc/19/10/82/250191082.db2.gz DMZKZUQTSRGGCD-AWEZNQCLSA-N -1 3 366.381 0.868 10 0 FCAEHM O=C(NCc1ncccc1[O-])C(=O)Nc1ccc(NC(=O)C2CC2)nc1 ZINC000473045316 250194678 /nfs/dbraw/zinc/19/46/78/250194678.db2.gz FQVSXIOUIOTEQU-UHFFFAOYSA-N -1 3 355.354 0.786 10 0 FCAEHM O=C(CCNS(=O)(=O)c1ccccc1F)NCc1ncccc1[O-] ZINC000473633623 250241664 /nfs/dbraw/zinc/24/16/64/250241664.db2.gz JVSWHVLHYOSJKJ-UHFFFAOYSA-N -1 3 353.375 0.911 10 0 FCAEHM CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)NCc1ncccc1[O-] ZINC000473635484 250242115 /nfs/dbraw/zinc/24/21/15/250242115.db2.gz JRCDTZBWYUTAJB-CYBMUJFWSA-N -1 3 353.386 0.692 10 0 FCAEHM O=C(CCNS(=O)(=O)c1ccc(F)cc1)NCc1ncccc1[O-] ZINC000473631717 250242672 /nfs/dbraw/zinc/24/26/72/250242672.db2.gz YQIUIBORMQDEGI-UHFFFAOYSA-N -1 3 353.375 0.911 10 0 FCAEHM COc1c(F)cc(CC(=O)NCc2ncccc2[O-])cc1S(N)(=O)=O ZINC000473642304 250244580 /nfs/dbraw/zinc/24/45/80/250244580.db2.gz LIBUCRBSHYUDAY-UHFFFAOYSA-N -1 3 369.374 0.441 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]CCCN2C(=O)COc3ccccc32)c1 ZINC000474111980 250270631 /nfs/dbraw/zinc/27/06/31/250270631.db2.gz XKAVWDLLEAYKHQ-UHFFFAOYSA-N -1 3 364.427 0.997 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cnn(-c3ncccn3)c2)cn1 ZINC000474115016 250271179 /nfs/dbraw/zinc/27/11/79/250271179.db2.gz RBXKXDZRSCEBRM-UHFFFAOYSA-N -1 3 359.371 0.218 10 0 FCAEHM COC[C@@](C)(CCO)NC(=O)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000480929682 250295713 /nfs/dbraw/zinc/29/57/13/250295713.db2.gz NTZZTKWWDFRGSK-SUMWQHHRSA-N -1 3 364.402 0.346 10 0 FCAEHM O=C(NCC[C@H](O)C(F)(F)F)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1 ZINC000481096685 250312314 /nfs/dbraw/zinc/31/23/14/250312314.db2.gz ZCTXAIDRQOQKEX-MNOVXSKESA-N -1 3 374.319 0.872 10 0 FCAEHM CCCN(C)S(=O)(=O)[N-]c1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1C ZINC000481599712 250343731 /nfs/dbraw/zinc/34/37/31/250343731.db2.gz QBCXJNIDDFTDPZ-GFCCVEGCSA-N -1 3 364.493 0.858 10 0 FCAEHM Cc1cc([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)c(=O)n(C)c1 ZINC000481615320 250345493 /nfs/dbraw/zinc/34/54/93/250345493.db2.gz WXIWRLAMARQRSI-UHFFFAOYSA-N -1 3 356.425 0.898 10 0 FCAEHM Cc1c(C(=O)NCc2nnc(C(F)(F)F)[n-]2)cccc1S(N)(=O)=O ZINC000482226833 250381676 /nfs/dbraw/zinc/38/16/76/250381676.db2.gz ACPGTEYDWKROPI-UHFFFAOYSA-N -1 3 363.321 0.709 10 0 FCAEHM Cc1c(C(=O)NCc2n[n-]c(C(F)(F)F)n2)cccc1S(N)(=O)=O ZINC000482226833 250381682 /nfs/dbraw/zinc/38/16/82/250381682.db2.gz ACPGTEYDWKROPI-UHFFFAOYSA-N -1 3 363.321 0.709 10 0 FCAEHM Cc1c(C(=O)NCc2nc(C(F)(F)F)n[n-]2)cccc1S(N)(=O)=O ZINC000482226833 250381688 /nfs/dbraw/zinc/38/16/88/250381688.db2.gz ACPGTEYDWKROPI-UHFFFAOYSA-N -1 3 363.321 0.709 10 0 FCAEHM Cc1cc(CS(=O)(=O)[N-][C@@H]2CCCN(CC(F)(F)F)C2=O)no1 ZINC000269530883 211002805 /nfs/dbraw/zinc/00/28/05/211002805.db2.gz WJNSUXFEPUVZCV-SNVBAGLBSA-N -1 3 355.338 0.956 10 0 FCAEHM CCNC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)OC)ccc2F)C1 ZINC000268501905 210805147 /nfs/dbraw/zinc/80/51/47/210805147.db2.gz PBTARJXWISFWJG-LLVKDONJSA-N -1 3 373.406 0.694 10 0 FCAEHM Cc1ccc([C@@H](C)NS(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)o1 ZINC000103152551 208173998 /nfs/dbraw/zinc/17/39/98/208173998.db2.gz YGXJENZYKMBZDR-SECBINFHSA-N -1 3 364.383 0.563 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000111611067 208283236 /nfs/dbraw/zinc/28/32/36/208283236.db2.gz KMWXTKVENGIVEM-GXSJLCMTSA-N -1 3 352.188 0.973 10 0 FCAEHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]CCCN2CCCC2=O)c1 ZINC000115877821 208326680 /nfs/dbraw/zinc/32/66/80/208326680.db2.gz RKXQKVHTOSAQPR-UHFFFAOYSA-N -1 3 358.391 0.903 10 0 FCAEHM Cn1cc([C@H]2CCN(C(=O)CCn3[n-]c(=O)c4ccccc4c3=O)C2)cn1 ZINC000116124537 208327456 /nfs/dbraw/zinc/32/74/56/208327456.db2.gz WSYAFDSYWGFNTI-ZDUSSCGKSA-N -1 3 367.409 0.830 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)n[n-]1 ZINC000119346191 208359641 /nfs/dbraw/zinc/35/96/41/208359641.db2.gz NVRMPXRJKLYQMG-QWRGUYRKSA-N -1 3 356.386 0.924 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)[n-]n1 ZINC000119346191 208359646 /nfs/dbraw/zinc/35/96/46/208359646.db2.gz NVRMPXRJKLYQMG-QWRGUYRKSA-N -1 3 356.386 0.924 10 0 FCAEHM CC[C@H]1Oc2cc([C@H](C)NC(=O)CN3CC(=O)[N-]C3=O)ccc2NC1=O ZINC000266616505 210368865 /nfs/dbraw/zinc/36/88/65/210368865.db2.gz COMUGLJHOBYEAP-JOYOIKCWSA-N -1 3 360.370 0.525 10 0 FCAEHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1CC[C@@H](C(=O)OC)C1 ZINC000266497398 210345654 /nfs/dbraw/zinc/34/56/54/210345654.db2.gz CDWUFYPMTGODMT-SECBINFHSA-N -1 3 354.384 0.885 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000266023911 210268264 /nfs/dbraw/zinc/26/82/64/210268264.db2.gz QJBHFOLKPHFCFJ-NSHDSACASA-N -1 3 350.762 0.113 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCc3[nH]c4ccccc4c3C2)c1 ZINC000176441512 209004212 /nfs/dbraw/zinc/00/42/12/209004212.db2.gz BEWFNQLEIQIOAB-UHFFFAOYSA-N -1 3 373.438 0.765 10 0 FCAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000178562305 209052851 /nfs/dbraw/zinc/05/28/51/209052851.db2.gz RDORCJZDNDUTDL-AEFFLSMTSA-N -1 3 365.389 0.854 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2Cc3ccccc3[C@H]2O)c(C)o1 ZINC000178676423 209058316 /nfs/dbraw/zinc/05/83/16/209058316.db2.gz HWZOFWZXTFYLEZ-DZGCQCFKSA-N -1 3 350.396 0.884 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2c2nc[nH]n2)c(C)o1 ZINC000179345208 209076137 /nfs/dbraw/zinc/07/61/37/209076137.db2.gz JIDHAVYLDYAABY-NSHDSACASA-N -1 3 353.404 0.982 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2c2nnc[nH]2)c(C)o1 ZINC000179345208 209076141 /nfs/dbraw/zinc/07/61/41/209076141.db2.gz JIDHAVYLDYAABY-NSHDSACASA-N -1 3 353.404 0.982 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)NCCCc2ccccn2)cn1C ZINC000178618558 229223960 /nfs/dbraw/zinc/22/39/60/229223960.db2.gz MFQOUHQKTVNSCL-UHFFFAOYSA-N -1 3 365.459 0.541 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)NCC1(CCO)CC1 ZINC000187985157 229246185 /nfs/dbraw/zinc/24/61/85/229246185.db2.gz XSXDKFKDHXLQFC-UHFFFAOYSA-N -1 3 352.865 0.959 10 0 FCAEHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H]2CCC[C@H]2CNS(C)(=O)=O)s1 ZINC000409794475 230046559 /nfs/dbraw/zinc/04/65/59/230046559.db2.gz PEUHYSJGMWQNEV-WDEREUQCSA-N -1 3 367.518 0.756 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCC[C@@H](O)C(F)(F)F ZINC000410053159 230055601 /nfs/dbraw/zinc/05/56/01/230055601.db2.gz RSJQBTRZLJEENB-GZMMTYOYSA-N -1 3 372.340 0.922 10 0 FCAEHM Cc1n[nH]c(C)c1[N-]S(=O)(=O)CCCS(=O)(=O)N(C)C(C)C ZINC000349541851 489311985 /nfs/dbraw/zinc/31/19/85/489311985.db2.gz WRRZHNLFVKGTCN-UHFFFAOYSA-N -1 3 352.482 0.828 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]CC(=O)Nc1ccn(C)n1 ZINC000518011288 484283362 /nfs/dbraw/zinc/28/33/62/484283362.db2.gz RRIDVUWGYICKIW-UHFFFAOYSA-N -1 3 370.387 0.334 10 0 FCAEHM COc1ccc(S(=O)(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1OC ZINC000278675158 488889073 /nfs/dbraw/zinc/88/90/73/488889073.db2.gz IDMBCXINEOKBCV-HNNXBMFYSA-N -1 3 369.399 0.067 10 0 FCAEHM Cc1nc(NC(=O)[C@H](C)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)sc1C ZINC000278744325 488893299 /nfs/dbraw/zinc/89/32/99/488893299.db2.gz AGTIEJZKTUPKPK-VFZGTOFNSA-N -1 3 351.432 0.761 10 0 FCAEHM CC1(C)CC[C@H](C(=O)NCC(=O)Nc2cccc3c(=O)[nH][n-]c(=O)c23)O1 ZINC000278773927 488895035 /nfs/dbraw/zinc/89/50/35/488895035.db2.gz VDELSSCHEBPGCE-LLVKDONJSA-N -1 3 360.370 0.229 10 0 FCAEHM CC1(C)CC[C@H](C(=O)NCC(=O)Nc2cccc3c(=O)[n-][nH]c(=O)c23)O1 ZINC000278773927 488895039 /nfs/dbraw/zinc/89/50/39/488895039.db2.gz VDELSSCHEBPGCE-LLVKDONJSA-N -1 3 360.370 0.229 10 0 FCAEHM O=C1[N-]C(=O)[C@]2(CCCN(CCCS(=O)(=O)c3ccccc3)C2)N1 ZINC000279070356 488914933 /nfs/dbraw/zinc/91/49/33/488914933.db2.gz MNCQDUUIYKYQBA-MRXNPFEDSA-N -1 3 351.428 0.524 10 0 FCAEHM O=C(c1ccc2c(c1)NC(=O)CS2)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000326982855 488917213 /nfs/dbraw/zinc/91/72/13/488917213.db2.gz VLCUSOFKOVXOND-MRXNPFEDSA-N -1 3 360.395 0.545 10 0 FCAEHM CCn1nccc1N1CCC[C@@H]([N-]S(=O)(=O)CC[C@H]2CCCO2)C1=O ZINC000328610186 488923190 /nfs/dbraw/zinc/92/31/90/488923190.db2.gz GVSROTWDRFEOPA-ZIAGYGMSSA-N -1 3 370.475 0.887 10 0 FCAEHM CN(Cc1cc(=O)[n-]c(N)n1)[C@@H]1CCN(C(=O)COC2CCCCC2)C1 ZINC000328626827 488924632 /nfs/dbraw/zinc/92/46/32/488924632.db2.gz FLUXSYPBYABAIG-CQSZACIVSA-N -1 3 363.462 1.146 10 0 FCAEHM COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000327372890 488919812 /nfs/dbraw/zinc/91/98/12/488919812.db2.gz MEDAAKIVNLKTHM-HNNXBMFYSA-N -1 3 369.399 0.067 10 0 FCAEHM O=C(c1cccc(OCC(F)(F)F)n1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279409773 488939803 /nfs/dbraw/zinc/93/98/03/488939803.db2.gz HKUBEIYPWOPRIM-AWEZNQCLSA-N -1 3 372.303 0.837 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](c2nc[nH]n2)c2ccccc2)cn1 ZINC000364270647 488942180 /nfs/dbraw/zinc/94/21/80/488942180.db2.gz TZIYHINOWSWWOY-AWEZNQCLSA-N -1 3 372.410 0.627 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)c([O-])c1 ZINC000279505030 488947856 /nfs/dbraw/zinc/94/78/56/488947856.db2.gz OEIBXQHZCOWNBE-SFHVURJKSA-N -1 3 374.397 0.021 10 0 FCAEHM O=C([C@@H]1CC(c2cccc(F)c2)=NO1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279519866 488949368 /nfs/dbraw/zinc/94/93/68/488949368.db2.gz PIDVUQYPCLPFPA-SUMWQHHRSA-N -1 3 360.345 0.519 10 0 FCAEHM COc1cc(CCC(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc(OC)c1 ZINC000279522689 488949380 /nfs/dbraw/zinc/94/93/80/488949380.db2.gz PNFBTNOKYARTCX-SFHVURJKSA-N -1 3 361.398 0.837 10 0 FCAEHM O=C(CN1C(=O)CCc2ccccc21)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279627051 488957851 /nfs/dbraw/zinc/95/78/51/488957851.db2.gz XTICDWLNPWOIAA-GOSISDBHSA-N -1 3 356.382 0.166 10 0 FCAEHM Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)C[C@@H]3NC(=O)[N-]C3=O)C2)nc1 ZINC000057201401 488268044 /nfs/dbraw/zinc/26/80/44/488268044.db2.gz BGRNBSLVHHPTIY-NEPJUHHUSA-N -1 3 359.386 0.165 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)Nc2ccnn2[C@@H](C)C2CC2)cn1C ZINC000066660781 488334762 /nfs/dbraw/zinc/33/47/62/488334762.db2.gz VUHXZLOLGMHHJI-JTQLQIEISA-N -1 3 366.447 0.813 10 0 FCAEHM CC(=O)N1CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)[C@H](C)C1 ZINC000268711467 488444294 /nfs/dbraw/zinc/44/42/94/488444294.db2.gz IIKXGEXQHICDKM-MNOVXSKESA-N -1 3 359.473 0.494 10 0 FCAEHM CC(=O)N1CCN(C(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)[C@@H](C)C1 ZINC000268766838 488448382 /nfs/dbraw/zinc/44/83/82/488448382.db2.gz RGYNLJZYWLOGOY-LBPRGKRZSA-N -1 3 370.409 0.749 10 0 FCAEHM C[C@@H]1CCN(C(=O)CC[N-]S(=O)(=O)c2ccc(F)c(F)c2)C[C@@H]1O ZINC000089406336 488457317 /nfs/dbraw/zinc/45/73/17/488457317.db2.gz KALOBMMZTXOKDI-YGRLFVJLSA-N -1 3 362.398 0.863 10 0 FCAEHM C[C@]1(c2cccc(C(=O)NCCCN3CCCC3=O)c2)NC(=O)[N-]C1=O ZINC000269078836 488467055 /nfs/dbraw/zinc/46/70/55/488467055.db2.gz HTRIJPGYSVTPHA-GOSISDBHSA-N -1 3 358.398 0.484 10 0 FCAEHM CN1CC[C@@H](NC(=O)C[C@@H]2NC(=O)[N-]C2=O)[C@H]1c1ccc(F)c(F)c1 ZINC000247690463 488489209 /nfs/dbraw/zinc/48/92/09/488489209.db2.gz QUQRIDMCGVUPJD-MBNYWOFBSA-N -1 3 352.341 0.424 10 0 FCAEHM O=C1[N-]C(=O)[C@]2(CCN(S(=O)(=O)c3cccc(Br)c3)C2)N1 ZINC000096767793 488491454 /nfs/dbraw/zinc/49/14/54/488491454.db2.gz NXBWUWUABRLZRI-GFCCVEGCSA-N -1 3 374.216 0.422 10 0 FCAEHM CCn1nccc1N1CCC[C@@H]([N-]S(=O)(=O)N2CCC[C@H]2C)C1=O ZINC000251841712 488517306 /nfs/dbraw/zinc/51/73/06/488517306.db2.gz NZSXPFLKLATQBY-CHWSQXEVSA-N -1 3 355.464 0.717 10 0 FCAEHM CN1CCN(C(=O)CC2CCN(Cc3cc(=O)n4[n-]ccc4n3)CC2)CC1 ZINC000109789544 488524141 /nfs/dbraw/zinc/52/41/41/488524141.db2.gz LHJNPEUYVTUVFU-UHFFFAOYSA-N -1 3 372.473 0.399 10 0 FCAEHM CC(C)(C)[C@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)C(=O)OCc1ccccc1 ZINC000271987059 488557295 /nfs/dbraw/zinc/55/72/95/488557295.db2.gz PHDZHOLJYFHGMC-GXTWGEPZSA-N -1 3 361.398 0.859 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCCSCCCO ZINC000120817964 488563608 /nfs/dbraw/zinc/56/36/08/488563608.db2.gz YETBAPYMDQERHC-UHFFFAOYSA-N -1 3 350.444 0.984 10 0 FCAEHM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)CN2CC(=O)[N-]C2=O)C1 ZINC000272430371 488579965 /nfs/dbraw/zinc/57/99/65/488579965.db2.gz HMXADAAKTIVOKK-GHMZBOCLSA-N -1 3 354.407 0.300 10 0 FCAEHM CN(C)c1nccc(N2CCN(C(=O)c3ccc4n[n-]nc4c3)CC2)n1 ZINC000124475580 488593624 /nfs/dbraw/zinc/59/36/24/488593624.db2.gz VNIVIGBCUIHWBF-UHFFFAOYSA-N -1 3 352.402 0.776 10 0 FCAEHM COc1ccc(NC(=O)c2n[nH]c3c2CNCC3)cc1[N-]S(C)(=O)=O ZINC000262825384 488595189 /nfs/dbraw/zinc/59/51/89/488595189.db2.gz YACMRKNLFLKXPU-UHFFFAOYSA-N -1 3 365.415 0.688 10 0 FCAEHM CN(CC(=O)[O-])C[C@@H]1CN(C(=O)c2ccccc2-n2cccn2)CCO1 ZINC000262873309 488597452 /nfs/dbraw/zinc/59/74/52/488597452.db2.gz MOMKBKXPWGZPJI-CQSZACIVSA-N -1 3 358.398 0.730 10 0 FCAEHM CN(CC(=O)[O-])C[C@@H]1CN(CC(=O)NC2CCCCCCC2)CCO1 ZINC000262886790 488597895 /nfs/dbraw/zinc/59/78/95/488597895.db2.gz ODNNKDJMIMPKBR-MRXNPFEDSA-N -1 3 355.479 0.933 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)N1CCN2CCCC[C@@H]2C1 ZINC000125551554 488602244 /nfs/dbraw/zinc/60/22/44/488602244.db2.gz QMTZPEOZLHPQLR-CYBMUJFWSA-N -1 3 372.516 0.906 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NCc1c(C)cc(C)[nH]c1=O ZINC000264026819 488644042 /nfs/dbraw/zinc/64/40/42/488644042.db2.gz QNCFHGVFDQTRKV-UHFFFAOYSA-N -1 3 368.415 0.604 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)NCC[C@@]2(C)CC2(F)F)cn1C ZINC000618630665 492232675 /nfs/dbraw/zinc/23/26/75/492232675.db2.gz YZSOZHGYZLCBKN-LBPRGKRZSA-N -1 3 350.391 0.558 10 0 FCAEHM NC(=O)[C@@H]1CCC[C@H](NC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)C1 ZINC000133134409 488657643 /nfs/dbraw/zinc/65/76/43/488657643.db2.gz CSANRSSPEUYZHA-NEPJUHHUSA-N -1 3 358.398 0.240 10 0 FCAEHM O=c1[n-]c(CN2CC[C@@H](S(=O)(=O)N3CCCC3)C2)nc2ccsc21 ZINC000135665577 488674565 /nfs/dbraw/zinc/67/45/65/488674565.db2.gz AKVVVQDJYSCCCE-LLVKDONJSA-N -1 3 368.484 0.985 10 0 FCAEHM COc1cccc(CN(C[C@H]2CCCO2)C(=O)CN2CC(=O)[N-]C2=O)c1 ZINC000264594927 488688747 /nfs/dbraw/zinc/68/87/47/488688747.db2.gz BRQRONQBHIMKRD-OAHLLOKOSA-N -1 3 361.398 0.755 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NCCOc1cccc(Br)c1 ZINC000264615698 488691072 /nfs/dbraw/zinc/69/10/72/488691072.db2.gz APOGAQCQVNMGAM-UHFFFAOYSA-N -1 3 356.176 0.496 10 0 FCAEHM CNC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000264673701 488696709 /nfs/dbraw/zinc/69/67/09/488696709.db2.gz HIIGSPFKRYURIE-NWDGAFQWSA-N -1 3 371.434 0.477 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000264702203 488700073 /nfs/dbraw/zinc/70/00/73/488700073.db2.gz BZKZMQDHKFDUND-UHFFFAOYSA-N -1 3 362.361 0.052 10 0 FCAEHM COc1ccc([C@@H](CNC(=O)CN2CC(=O)[N-]C2=O)N2CCCC2)cc1 ZINC000264719372 488702653 /nfs/dbraw/zinc/70/26/53/488702653.db2.gz PFDAIKPEOKXTLX-OAHLLOKOSA-N -1 3 360.414 0.500 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000264829596 488716959 /nfs/dbraw/zinc/71/69/59/488716959.db2.gz IUELDYMTMFVXBC-UHFFFAOYSA-N -1 3 358.276 0.469 10 0 FCAEHM CCn1nccc1S(=O)(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000274544033 488718731 /nfs/dbraw/zinc/71/87/31/488718731.db2.gz FSAJMFSBZFEZJJ-UHFFFAOYSA-N -1 3 364.427 0.755 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000274603937 488722917 /nfs/dbraw/zinc/72/29/17/488722917.db2.gz XQVRZFPRQGOVND-RISCZKNCSA-N -1 3 360.457 0.433 10 0 FCAEHM Cc1ccc(N2CCN(C(=O)C3CC4(C3)NC(=O)[N-]C4=O)CC2)cc1C ZINC000153112049 488727064 /nfs/dbraw/zinc/72/70/64/488727064.db2.gz BIINKGMIUWLILL-UHFFFAOYSA-N -1 3 356.426 0.940 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCC[C@H](CC(N)=O)C1 ZINC000266900323 488741646 /nfs/dbraw/zinc/74/16/46/488741646.db2.gz HYHNVHLJFQKWTP-NWDGAFQWSA-N -1 3 371.434 0.607 10 0 FCAEHM CNC(=O)[C@H](C[N-]S(=O)(=O)c1cn(C)cn1)Cc1ccc(F)cc1C ZINC000570158383 491220474 /nfs/dbraw/zinc/22/04/74/491220474.db2.gz QWLTXMCGEHZQOZ-ZDUSSCGKSA-N -1 3 368.434 0.751 10 0 FCAEHM C[C@H](CC[S@@](C)=O)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000267091630 488760150 /nfs/dbraw/zinc/76/01/50/488760150.db2.gz MIAGUYJFCYBFKY-NFULHVNHSA-N -1 3 364.464 0.766 10 0 FCAEHM COCCN1C(=O)CCc2cc(NC(=O)CN3CC(=O)[N-]C3=O)ccc21 ZINC000275195562 488771278 /nfs/dbraw/zinc/77/12/78/488771278.db2.gz FIMDUDUHQAWWFX-UHFFFAOYSA-N -1 3 360.370 0.103 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)NC1(CO)CC1 ZINC000570165470 491221378 /nfs/dbraw/zinc/22/13/78/491221378.db2.gz YWVXDRJIHIPMAD-UHFFFAOYSA-N -1 3 353.227 0.913 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCC(O)(c2c(F)cccc2F)CC1 ZINC000275257559 488777771 /nfs/dbraw/zinc/77/77/71/488777771.db2.gz NRYNBBWFGAASAX-UHFFFAOYSA-N -1 3 353.325 0.327 10 0 FCAEHM CC1(C)CCCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1cn[nH]c1 ZINC000349530739 489308748 /nfs/dbraw/zinc/30/87/48/489308748.db2.gz YRZSEZTWSNRSEG-UHFFFAOYSA-N -1 3 350.466 0.746 10 0 FCAEHM C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)N(C)C ZINC000278171170 488804532 /nfs/dbraw/zinc/80/45/32/488804532.db2.gz FWTRHPAAHBFLOI-GXTWGEPZSA-N -1 3 355.460 0.082 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)Cn2cncn2)cc(F)c1F ZINC000268060597 488837103 /nfs/dbraw/zinc/83/71/03/488837103.db2.gz YMIRDBHPRHNUAO-QMMMGPOBSA-N -1 3 360.342 0.710 10 0 FCAEHM CCc1nc2n(n1)C[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C)CC2 ZINC000176085372 488857270 /nfs/dbraw/zinc/85/72/70/488857270.db2.gz RCKJCVXJEGIYBS-JTQLQIEISA-N -1 3 367.431 0.395 10 0 FCAEHM CCC[C@H](NC(=O)CN1CCN(Cc2ccccc2)CC1)c1nn[n-]n1 ZINC000176736924 488858755 /nfs/dbraw/zinc/85/87/55/488858755.db2.gz ZIESVJUTRPGZGX-INIZCTEOSA-N -1 3 357.462 0.975 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)NC2(CO)Cc3ccccc3C2)cn1 ZINC000364565370 488973334 /nfs/dbraw/zinc/97/33/34/488973334.db2.gz ZGJPYFZRLYSFDO-UHFFFAOYSA-N -1 3 361.423 0.249 10 0 FCAEHM CCN(CC)CC(=O)Nc1cccc(NC(=O)CN2CC(=O)[N-]C2=O)c1 ZINC000288379079 488975318 /nfs/dbraw/zinc/97/53/18/488975318.db2.gz VKLFERLFHZATKE-UHFFFAOYSA-N -1 3 361.402 0.457 10 0 FCAEHM Cc1cccc(N2CCN(CCC(=O)NCCc3nc(=O)o[n-]3)CC2)c1 ZINC000280249250 488992455 /nfs/dbraw/zinc/99/24/55/488992455.db2.gz ZBUMMNUPEIVKDW-UHFFFAOYSA-N -1 3 359.430 0.542 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000329420290 489002547 /nfs/dbraw/zinc/00/25/47/489002547.db2.gz GTZQYFXBHXCJJA-IACUBPJLSA-N -1 3 370.475 0.511 10 0 FCAEHM COc1cccc(CNC(=O)[C@H](C)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000288786886 489016199 /nfs/dbraw/zinc/01/61/99/489016199.db2.gz CBMRUEKTFMZBRZ-JSGCOSHPSA-N -1 3 359.430 0.991 10 0 FCAEHM C[C@@]1(c2cccc(-c3noc([C@@]4(C)CCC(=O)NC4)n3)c2)NC(=O)[N-]C1=O ZINC000288942546 489030955 /nfs/dbraw/zinc/03/09/55/489030955.db2.gz OEECOYJERWXUGA-ROUUACIJSA-N -1 3 369.381 0.959 10 0 FCAEHM COc1ccc(OC)c(NC(=O)CN2CCC(c3nc(=O)[n-][nH]3)CC2)c1 ZINC000280917829 489040975 /nfs/dbraw/zinc/04/09/75/489040975.db2.gz GCKGVOMHFLQDBY-UHFFFAOYSA-N -1 3 361.402 0.933 10 0 FCAEHM CS(=O)(=O)c1ccc(OCCN2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000365130150 489041458 /nfs/dbraw/zinc/04/14/58/489041458.db2.gz AXKSTEOUXHAEHB-INIZCTEOSA-N -1 3 367.427 0.143 10 0 FCAEHM CCOC(=O)c1csc([C@@H]2CCCN2C(=O)C[C@@H]2NC(=O)[N-]C2=O)n1 ZINC000365135178 489041805 /nfs/dbraw/zinc/04/18/05/489041805.db2.gz KEWCZIOYTVCGQO-WPRPVWTQSA-N -1 3 366.399 0.581 10 0 FCAEHM CC1(C[N-]S(=O)(=O)C2CN(C(=O)c3ccccc3)C2)OCCCO1 ZINC000365170323 489045115 /nfs/dbraw/zinc/04/51/15/489045115.db2.gz LOCKBAFQZSFMGB-UHFFFAOYSA-N -1 3 354.428 0.584 10 0 FCAEHM CNC(=O)c1cccc(NC(=O)[C@@H](C)N2CCC(c3nc(=O)[n-][nH]3)CC2)c1 ZINC000289169600 489046238 /nfs/dbraw/zinc/04/62/38/489046238.db2.gz FHADZEJEDVUXFC-LLVKDONJSA-N -1 3 372.429 0.664 10 0 FCAEHM CNC(=O)c1cccc(NC(=O)[C@H](C)N2CCC(c3nc(=O)[n-][nH]3)CC2)c1 ZINC000289169603 489046520 /nfs/dbraw/zinc/04/65/20/489046520.db2.gz FHADZEJEDVUXFC-NSHDSACASA-N -1 3 372.429 0.664 10 0 FCAEHM CC(C)n1ncnc1CNC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000281267932 489064090 /nfs/dbraw/zinc/06/40/90/489064090.db2.gz VWWSTRIIZQIUOV-SNVBAGLBSA-N -1 3 357.461 0.904 10 0 FCAEHM COCc1cccc(CNC(=O)CN2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)c1 ZINC000289401069 489064836 /nfs/dbraw/zinc/06/48/36/489064836.db2.gz KZUMUWCHKROIHH-OAHLLOKOSA-N -1 3 359.430 0.740 10 0 FCAEHM C[C@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000289428862 489066884 /nfs/dbraw/zinc/06/68/84/489066884.db2.gz NKBWWNVMBKDCCP-VXGBXAGGSA-N -1 3 370.413 0.651 10 0 FCAEHM COC(=O)c1ccccc1NC(=O)CN1CCC(c2nc(=O)[n-][nH]2)CC1 ZINC000289577963 489078939 /nfs/dbraw/zinc/07/89/39/489078939.db2.gz YWAGTZBWCQUULB-UHFFFAOYSA-N -1 3 359.386 0.703 10 0 FCAEHM Cc1nn(C)c(C)c1[C@H]1[C@H]([N-]S(=O)(=O)C[C@@H]2CCOC2)CC(=O)N1C ZINC000330295380 489088717 /nfs/dbraw/zinc/08/87/17/489088717.db2.gz JGQWBALHYKSVEU-XJKCOSOUSA-N -1 3 370.475 0.265 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)N1CC[C@](O)(C(F)(F)F)C1 ZINC000290075396 489112362 /nfs/dbraw/zinc/11/23/62/489112362.db2.gz OJDSUXLSKIKGQD-GFCCVEGCSA-N -1 3 370.324 0.630 10 0 FCAEHM C[C@]1(c2ccc(C(=O)N3C[C@H]4CCC[C@@H](C3)C4O)cc2)NC(=O)[N-]C1=O ZINC000365794325 489113953 /nfs/dbraw/zinc/11/39/53/489113953.db2.gz QUKPHBQHTHENRI-UMLFHBNUSA-N -1 3 357.410 0.974 10 0 FCAEHM CCOc1ccccc1CN1CCN(C(=O)CN2CC(=O)[N-]C2=O)[C@H](C)C1 ZINC000281895839 489115600 /nfs/dbraw/zinc/11/56/00/489115600.db2.gz YQLDUWJGVTUNJD-CQSZACIVSA-N -1 3 374.441 0.670 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)N1CC(CO)C1 ZINC000290329948 489131530 /nfs/dbraw/zinc/13/15/30/489131530.db2.gz BKZXMHQFYQQIHZ-UHFFFAOYSA-N -1 3 353.227 0.722 10 0 FCAEHM O=S(=O)([N-][C@@H]1CCCS(=O)(=O)C1)c1cccnc1C(F)(F)F ZINC000330677967 489132165 /nfs/dbraw/zinc/13/21/65/489132165.db2.gz VZOPROYQRHDCTE-MRVPVSSYSA-N -1 3 358.363 0.956 10 0 FCAEHM CCS(=O)(=O)C[C@@H](C)[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000290348125 489133362 /nfs/dbraw/zinc/13/33/62/489133362.db2.gz CEMIDJMNIWZNCL-MRVPVSSYSA-N -1 3 367.445 0.785 10 0 FCAEHM CC(C)N1CC[C@@H]([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)C1=O ZINC000330784405 489143658 /nfs/dbraw/zinc/14/36/58/489143658.db2.gz JWJSCNJYKUMRRZ-LLVKDONJSA-N -1 3 360.457 0.378 10 0 FCAEHM COC(C)(C)CS(=O)(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000290707447 489159401 /nfs/dbraw/zinc/15/94/01/489159401.db2.gz JDKMKIQHWPVBOV-UHFFFAOYSA-N -1 3 356.444 0.905 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@]1(C(=O)OC)CCOC1 ZINC000290714080 489159984 /nfs/dbraw/zinc/15/99/84/489159984.db2.gz JQGJXRAUSYSNKJ-CQSZACIVSA-N -1 3 361.372 0.293 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CC(=O)N(C)[C@H](C)C1 ZINC000282421454 489162145 /nfs/dbraw/zinc/16/21/45/489162145.db2.gz QIFNNHBDOZKLPU-SNVBAGLBSA-N -1 3 367.427 0.861 10 0 FCAEHM NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000555060317 491236967 /nfs/dbraw/zinc/23/69/67/491236967.db2.gz FSGLFSCXUGDPAG-MNOVXSKESA-N -1 3 359.473 0.577 10 0 FCAEHM CC(C)(C)OC(=O)N1CCC2(C[C@H]2NC(=O)C[C@@H]2NC(=O)[N-]C2=O)CC1 ZINC000366415032 489178516 /nfs/dbraw/zinc/17/85/16/489178516.db2.gz FOLPLDMGAIOIPI-WDEREUQCSA-N -1 3 366.418 0.490 10 0 FCAEHM O=C(Cc1ccccc1)NCCC(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282817472 489191907 /nfs/dbraw/zinc/19/19/07/489191907.db2.gz CAFKEMUAYPGHJY-AWEZNQCLSA-N -1 3 357.414 0.553 10 0 FCAEHM CC[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2cccs2)C[C@]2(CCOC2)O1 ZINC000366540154 489192832 /nfs/dbraw/zinc/19/28/32/489192832.db2.gz NTTKUHLOMUKIQA-DOMZBBRYSA-N -1 3 374.484 0.823 10 0 FCAEHM O=C(NC1CC1)c1nn[n-]c1NC(=O)c1cc(OCC(F)F)ccn1 ZINC000297657417 489219986 /nfs/dbraw/zinc/21/99/86/489219986.db2.gz FRAOUTODOLOWTP-UHFFFAOYSA-N -1 3 352.301 0.988 10 0 FCAEHM O=C(NC1CC1)c1[n-]nnc1NC(=O)c1cc(OCC(F)F)ccn1 ZINC000297657417 489219990 /nfs/dbraw/zinc/21/99/90/489219990.db2.gz FRAOUTODOLOWTP-UHFFFAOYSA-N -1 3 352.301 0.988 10 0 FCAEHM O=C(NC1CC1)c1n[n-]nc1NC(=O)c1cc(OCC(F)F)ccn1 ZINC000297657417 489219993 /nfs/dbraw/zinc/21/99/93/489219993.db2.gz FRAOUTODOLOWTP-UHFFFAOYSA-N -1 3 352.301 0.988 10 0 FCAEHM O=C(NC1CC1)c1nn[n-]c1NC(=O)c1ccc(N2CCOCC2)cc1 ZINC000297736749 489232780 /nfs/dbraw/zinc/23/27/80/489232780.db2.gz MVPCMTJXRIWJJX-UHFFFAOYSA-N -1 3 356.386 0.786 10 0 FCAEHM O=C(NC1CC1)c1[n-]nnc1NC(=O)c1ccc(N2CCOCC2)cc1 ZINC000297736749 489232784 /nfs/dbraw/zinc/23/27/84/489232784.db2.gz MVPCMTJXRIWJJX-UHFFFAOYSA-N -1 3 356.386 0.786 10 0 FCAEHM O=C(NC1CC1)c1n[n-]nc1NC(=O)c1ccc(N2CCOCC2)cc1 ZINC000297736749 489232787 /nfs/dbraw/zinc/23/27/87/489232787.db2.gz MVPCMTJXRIWJJX-UHFFFAOYSA-N -1 3 356.386 0.786 10 0 FCAEHM CN(C)c1nc(C(=O)NCCNS(=O)(=O)c2cccs2)cc(=O)[n-]1 ZINC000555281787 491243862 /nfs/dbraw/zinc/24/38/62/491243862.db2.gz UFECRZCAVPGPPT-UHFFFAOYSA-N -1 3 371.444 0.018 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCOc2ccc(Br)cc2C1 ZINC000283585266 489278096 /nfs/dbraw/zinc/27/80/96/489278096.db2.gz JWGFISNJAWSRJZ-JTQLQIEISA-N -1 3 368.187 0.768 10 0 FCAEHM O=S(=O)(CCCS(=O)(=O)N1CCCCCO1)[N-]c1cccnc1 ZINC000349463034 489291279 /nfs/dbraw/zinc/29/12/79/489291279.db2.gz IJWYYSCJGHRQER-UHFFFAOYSA-N -1 3 363.461 0.961 10 0 FCAEHM CC[C@@H]1CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1c(C)n[nH]c1C ZINC000349474118 489293828 /nfs/dbraw/zinc/29/38/28/489293828.db2.gz COHNHOAOLBLPAK-GFCCVEGCSA-N -1 3 364.493 0.972 10 0 FCAEHM Cc1ncc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@@H](C)[C@H]2C)cn1 ZINC000349480373 489296310 /nfs/dbraw/zinc/29/63/10/489296310.db2.gz NBKKGOYAILXFGK-GHMZBOCLSA-N -1 3 362.477 0.587 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)NCCCN1CCCC1=O ZINC000298148481 489296970 /nfs/dbraw/zinc/29/69/70/489296970.db2.gz LLWICHYEWUXINM-UHFFFAOYSA-N -1 3 357.407 0.233 10 0 FCAEHM Cc1n[nH]c(C)c1[N-]S(=O)(=O)CCCS(=O)(=O)N(C)CC(F)F ZINC000349519294 489306520 /nfs/dbraw/zinc/30/65/20/489306520.db2.gz PNIQGYVKJKYJLB-UHFFFAOYSA-N -1 3 374.435 0.685 10 0 FCAEHM Cc1ncc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C)c(C2CC2)n1 ZINC000349576167 489320240 /nfs/dbraw/zinc/32/02/40/489320240.db2.gz QLFVGNPCIVFZFI-UHFFFAOYSA-N -1 3 362.477 0.686 10 0 FCAEHM CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)CN1CC(=O)[N-]C1=O ZINC000286026366 489347801 /nfs/dbraw/zinc/34/78/01/489347801.db2.gz QAGAFYGYIOGXIQ-LBPRGKRZSA-N -1 3 354.407 0.446 10 0 FCAEHM Cn1cc(-c2noc(-c3cnc4c(c3)c(=O)[n-]c(=O)n4C)n2)ccc1=O ZINC000350927282 489351774 /nfs/dbraw/zinc/35/17/74/489351774.db2.gz NEIRKTCZKNTHLQ-UHFFFAOYSA-N -1 3 352.310 0.450 10 0 FCAEHM C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CCN1CCO ZINC000370399448 489354509 /nfs/dbraw/zinc/35/45/09/489354509.db2.gz KRESPCNGMBCHOY-ZBFHGGJFSA-N -1 3 361.442 0.522 10 0 FCAEHM CC(C)[C@@](C)(NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F)C(N)=O ZINC000286329704 489380505 /nfs/dbraw/zinc/38/05/05/489380505.db2.gz BHGUGVBHFPJUMO-ZUZCIYMTSA-N -1 3 359.423 0.509 10 0 FCAEHM CCOC(=O)C[C@H](O)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000555559080 491254693 /nfs/dbraw/zinc/25/46/93/491254693.db2.gz GNIBFTLETWNSPY-LBPRGKRZSA-N -1 3 374.390 0.519 10 0 FCAEHM Cc1cc(C)cc(C(=O)NCC(=O)N2CCC[C@H]2c2nc(=N)n(C)[n-]2)c1 ZINC000555528798 491252364 /nfs/dbraw/zinc/25/23/64/491252364.db2.gz RRYJRLBZTLQWED-AWEZNQCLSA-N -1 3 356.430 0.938 10 0 FCAEHM COC(=O)CCS(=O)(=O)[N-]c1cccc(OCCn2cncn2)c1 ZINC000299047406 489399539 /nfs/dbraw/zinc/39/95/39/489399539.db2.gz SSTVNHUEUBOFOA-UHFFFAOYSA-N -1 3 354.388 0.662 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC1(C(N)=O)CCCCC1 ZINC000299141034 489409747 /nfs/dbraw/zinc/40/97/47/489409747.db2.gz SNIHVTJMLBXGKH-NSHDSACASA-N -1 3 371.434 0.797 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1CCN(c2cnn(C)c2)C1 ZINC000371021589 489438782 /nfs/dbraw/zinc/43/87/82/489438782.db2.gz FAPFRKRMPNTUDH-SNVBAGLBSA-N -1 3 358.855 0.673 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000363218550 489440020 /nfs/dbraw/zinc/44/00/20/489440020.db2.gz JPQYVHYISZOUMX-LLVKDONJSA-N -1 3 370.331 0.952 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC(c3ccccn3)CC2)c1 ZINC000371097537 489451658 /nfs/dbraw/zinc/45/16/58/489451658.db2.gz FYGZNXYDKFEUFG-UHFFFAOYSA-N -1 3 363.443 0.500 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@@H](C)Cn2cncn2)s1 ZINC000299583446 489458585 /nfs/dbraw/zinc/45/85/85/489458585.db2.gz BYECQWBJEJVPBO-VIFPVBQESA-N -1 3 358.449 0.136 10 0 FCAEHM C[C@H](Cn1cncn1)NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000299643933 489466554 /nfs/dbraw/zinc/46/65/54/489466554.db2.gz NXTCTDQPBCNTEC-CYBMUJFWSA-N -1 3 358.402 0.540 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000371280458 489472730 /nfs/dbraw/zinc/47/27/30/489472730.db2.gz PVRVQIMYHOTYGA-VHSXEESVSA-N -1 3 354.457 0.812 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000371280458 489472732 /nfs/dbraw/zinc/47/27/32/489472732.db2.gz PVRVQIMYHOTYGA-VHSXEESVSA-N -1 3 354.457 0.812 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)N2CC[C@H](C(=O)OC)C2)ccc1F ZINC000287304441 489476405 /nfs/dbraw/zinc/47/64/05/489476405.db2.gz TWMHSVGMVMLSDA-VIFPVBQESA-N -1 3 359.379 0.761 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)N2CC[C@]3(CNC(=O)C3)C2)ccc1F ZINC000287308896 489476755 /nfs/dbraw/zinc/47/67/55/489476755.db2.gz UHUGNHRZXBLNDE-HNNXBMFYSA-N -1 3 370.406 0.478 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)N[C@](C)(CCO)COC)ccc1F ZINC000287317461 489477432 /nfs/dbraw/zinc/47/74/32/489477432.db2.gz UXPCOKWLHBEOIY-CQSZACIVSA-N -1 3 363.411 0.643 10 0 FCAEHM O=C(c1cccc([O-])c1)N1CCN(C(=O)C2(N3CCOCC3)CCC2)CC1 ZINC000371391212 489482762 /nfs/dbraw/zinc/48/27/62/489482762.db2.gz BDXSMDSBSKRDAB-UHFFFAOYSA-N -1 3 373.453 0.932 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-]CCc2nnc3n2CCCC3)c(C)o1 ZINC000414462767 489500008 /nfs/dbraw/zinc/50/00/08/489500008.db2.gz MSEPFPUJIYRDDT-UHFFFAOYSA-N -1 3 368.415 0.823 10 0 FCAEHM COC(=O)c1sccc1S(=O)(=O)[N-]C[C@@H]1CCCCN1CCO ZINC000451657786 489514439 /nfs/dbraw/zinc/51/44/39/489514439.db2.gz BSBIWBHGZZGNDR-NSHDSACASA-N -1 3 362.473 0.660 10 0 FCAEHM O=C(CS(=O)(=O)c1nc2c([n-]1)CCC2)N1CCO[C@@H]2CCCC[C@H]21 ZINC000555617915 491260051 /nfs/dbraw/zinc/26/00/51/491260051.db2.gz OAEFWKVGIGTPAH-ZIAGYGMSSA-N -1 3 353.444 0.842 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]C[C@H]2CCCCN2CCO)c(C(F)(F)F)n1 ZINC000451674078 489517733 /nfs/dbraw/zinc/51/77/33/489517733.db2.gz XOFNNRAWXIOSQF-SNVBAGLBSA-N -1 3 370.397 0.564 10 0 FCAEHM CC1(C)COC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000451985253 489535936 /nfs/dbraw/zinc/53/59/36/489535936.db2.gz WKKYAQXCDKXVRQ-LBPRGKRZSA-N -1 3 362.835 0.907 10 0 FCAEHM C[C@]1(c2cccc(C(=O)N[C@@H]3CCC[C@@H](C(N)=O)C3)c2)NC(=O)[N-]C1=O ZINC000426404323 489565622 /nfs/dbraw/zinc/56/56/22/489565622.db2.gz ZEWRTOLSRQFLGD-AJAPIDPKSA-N -1 3 358.398 0.515 10 0 FCAEHM NC(=O)[C@@H](CNC(=O)CNC(=O)c1cccc([O-])c1)Cc1ccc(F)cc1 ZINC000426651600 489578064 /nfs/dbraw/zinc/57/80/64/489578064.db2.gz NEQRINDUHQEYET-CQSZACIVSA-N -1 3 373.384 0.722 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC000372449240 489585185 /nfs/dbraw/zinc/58/51/85/489585185.db2.gz FMRQMJPVICSGNI-INIZCTEOSA-N -1 3 351.790 0.398 10 0 FCAEHM COC[C@@](C)(O)CCNC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000455208314 489588468 /nfs/dbraw/zinc/58/84/68/489588468.db2.gz QAMHWFCFUCLICT-SFHVURJKSA-N -1 3 365.430 0.647 10 0 FCAEHM Cn1nccc1[C@@H](CO)[N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000416547535 489608748 /nfs/dbraw/zinc/60/87/48/489608748.db2.gz LYMZAJCVEXHQDF-OAHLLOKOSA-N -1 3 361.427 0.677 10 0 FCAEHM COC(=O)CCc1nnc(NC(=O)CNC(=O)c2cccc([O-])c2)s1 ZINC000427466567 489609464 /nfs/dbraw/zinc/60/94/64/489609464.db2.gz WCFIDSORSBPBJH-UHFFFAOYSA-N -1 3 364.383 0.718 10 0 FCAEHM COCCNC(=O)C1([N-]S(=O)(=O)c2cn3c(n2)CCC[C@@H]3C)CC1 ZINC000416566591 489610794 /nfs/dbraw/zinc/61/07/94/489610794.db2.gz HDMWILPSTKUKRY-NSHDSACASA-N -1 3 356.448 0.354 10 0 FCAEHM COC(=O)C(C)(C)N1CCN(C(=O)CCc2c(C)nc(C)[n-]c2=O)CC1 ZINC000428038424 489633958 /nfs/dbraw/zinc/63/39/58/489633958.db2.gz NRRAUJYYEKLHGD-UHFFFAOYSA-N -1 3 364.446 0.827 10 0 FCAEHM COC(=O)C(C)(C)N1CCN(C(=O)Cc2c(C)nc(C)[n-]c2=O)CC1 ZINC000428045824 489634812 /nfs/dbraw/zinc/63/48/12/489634812.db2.gz RLPMTADOHKBFMM-UHFFFAOYSA-N -1 3 350.419 0.437 10 0 FCAEHM COCCN(C(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)[C@@H]1CCOC1 ZINC000428544544 489653145 /nfs/dbraw/zinc/65/31/45/489653145.db2.gz JDTZXSXXPHTXLR-NWDGAFQWSA-N -1 3 362.473 0.679 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCN(C)C(=O)[C@@H]1C ZINC000428573421 489654327 /nfs/dbraw/zinc/65/43/27/489654327.db2.gz MVIIMFGKNPDFOZ-QWRGUYRKSA-N -1 3 357.407 0.182 10 0 FCAEHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1C[C@H](CO)[C@H](O)C1 ZINC000458045995 489667410 /nfs/dbraw/zinc/66/74/10/489667410.db2.gz WGKMTSBSRLZRDQ-AMIZOPFISA-N -1 3 367.199 0.716 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N[C@H]3C[C@@H]3c3ccccc3)cnc21 ZINC000488969309 489689510 /nfs/dbraw/zinc/68/95/10/489689510.db2.gz LGCSGURDGZKYKI-OCCSQVGLSA-N -1 3 372.406 0.869 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCc1nnc2n1CCC2 ZINC000489156793 489698060 /nfs/dbraw/zinc/69/80/60/489698060.db2.gz MZHWVZDCDVOBRU-SNVBAGLBSA-N -1 3 369.472 0.312 10 0 FCAEHM Cn1cc(C[C@@H](O)C(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)cn1 ZINC000469274818 489699373 /nfs/dbraw/zinc/69/93/73/489699373.db2.gz WJFAWAXZPCZKMQ-MRXNPFEDSA-N -1 3 358.398 0.014 10 0 FCAEHM COc1ccc([C@H](CC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)NC(C)=O)cc1 ZINC000489477352 489713168 /nfs/dbraw/zinc/71/31/68/489713168.db2.gz GPFSVAROUKVGCR-GJZGRUSLSA-N -1 3 374.397 0.025 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N[C@@H]3C[C@H]3c3ccccc3)cnc21 ZINC000430018409 489715093 /nfs/dbraw/zinc/71/50/93/489715093.db2.gz LGCSGURDGZKYKI-GXTWGEPZSA-N -1 3 372.406 0.869 10 0 FCAEHM CC(C)[C@H](C)NC(=O)C1CCN(C(=O)C(=O)[N-]c2cnns2)CC1 ZINC000430039928 489716971 /nfs/dbraw/zinc/71/69/71/489716971.db2.gz GCUIAAVEBWNSMC-JTQLQIEISA-N -1 3 353.448 0.876 10 0 FCAEHM C/C=C/C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]C)nc1)C(=O)OCC ZINC000474423334 489762268 /nfs/dbraw/zinc/76/22/68/489762268.db2.gz ZCIMTLYXEWSKTF-FVOPLDGLSA-N -1 3 355.416 0.617 10 0 FCAEHM Cc1ccc(CNC(=O)C[C@@H]2NC(=O)[N-]C2=O)c(OC[C@H]2CCCO2)c1 ZINC000490436612 489767023 /nfs/dbraw/zinc/76/70/23/489767023.db2.gz VQEADVRSEQZLCQ-KGLIPLIRSA-N -1 3 361.398 0.767 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCc1nnnn1CC1CC1 ZINC000474673323 489778588 /nfs/dbraw/zinc/77/85/88/489778588.db2.gz RDYWHXMWOOSIKH-UHFFFAOYSA-N -1 3 368.401 0.878 10 0 FCAEHM COc1nc(NC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)n[n-]1 ZINC000490734331 489782452 /nfs/dbraw/zinc/78/24/52/489782452.db2.gz OZVFOPRQONXJNB-UHFFFAOYSA-N -1 3 361.330 0.399 10 0 FCAEHM COc1nnc(NC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)[n-]1 ZINC000490734331 489782456 /nfs/dbraw/zinc/78/24/56/489782456.db2.gz OZVFOPRQONXJNB-UHFFFAOYSA-N -1 3 361.330 0.399 10 0 FCAEHM COc1n[n-]c(NC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)n1 ZINC000490734331 489782461 /nfs/dbraw/zinc/78/24/61/489782461.db2.gz OZVFOPRQONXJNB-UHFFFAOYSA-N -1 3 361.330 0.399 10 0 FCAEHM O=C(CCC(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1)c1ccc(F)c(F)c1 ZINC000490901131 489788465 /nfs/dbraw/zinc/78/84/65/489788465.db2.gz HGEMXTOHMRCOOY-GFCCVEGCSA-N -1 3 351.309 0.690 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)[C@H](C)C(=O)N(C)C)c1ncc(Br)cn1 ZINC000431634140 489814120 /nfs/dbraw/zinc/81/41/20/489814120.db2.gz MDXVHYUFUBQNEG-HTQZYQBOSA-N -1 3 365.253 0.696 10 0 FCAEHM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-][C@](C)(c1noc(C)n1)C1CC1 ZINC000432263762 489835310 /nfs/dbraw/zinc/83/53/10/489835310.db2.gz IMWYUEVIJDEIHL-WFASDCNBSA-N -1 3 372.447 0.865 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CC[C@@H](CC(N)=O)C1 ZINC000377051152 489844030 /nfs/dbraw/zinc/84/40/30/489844030.db2.gz MRWONDDXHKZSLA-JTQLQIEISA-N -1 3 367.427 0.896 10 0 FCAEHM C[C@H](CCNC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)[S@](C)=O ZINC000493947043 489865017 /nfs/dbraw/zinc/86/50/17/489865017.db2.gz QWBXTMQSWBITBJ-RGCOTDKRSA-N -1 3 351.428 0.628 10 0 FCAEHM Cc1ccc2cccnc2c1S(=O)(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000433450931 489883973 /nfs/dbraw/zinc/88/39/73/489883973.db2.gz AQTTYSYZTALMLD-QGZVFWFLSA-N -1 3 374.422 0.906 10 0 FCAEHM NC(=O)c1coc(C[N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)c1 ZINC000494340483 489884703 /nfs/dbraw/zinc/88/47/03/489884703.db2.gz TVFLEPZFMVRECB-UHFFFAOYSA-N -1 3 370.408 0.187 10 0 FCAEHM C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000494465421 489892543 /nfs/dbraw/zinc/89/25/43/489892543.db2.gz VZUOQZRXJPVGGQ-QAMHXRKUSA-N -1 3 358.398 0.467 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NCc1ccc2cc[nH]c2n1 ZINC000461082613 489895842 /nfs/dbraw/zinc/89/58/42/489895842.db2.gz IRULTDQBOZCSBL-UHFFFAOYSA-N -1 3 363.399 0.762 10 0 FCAEHM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-]CC2(CCO)CC2)c1 ZINC000494594260 489899094 /nfs/dbraw/zinc/89/90/94/489899094.db2.gz IRXKTKOLLUOAIF-UHFFFAOYSA-N -1 3 371.411 0.701 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CC([C@@H]2CCOC2)C1 ZINC000377410302 489899293 /nfs/dbraw/zinc/89/92/93/489899293.db2.gz DWBAAZLWIVVDNE-NWDGAFQWSA-N -1 3 356.419 0.987 10 0 FCAEHM COc1nn(C)cc1NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000476570750 489900373 /nfs/dbraw/zinc/90/03/73/489900373.db2.gz KEKFOOLJLNOUBZ-UHFFFAOYSA-N -1 3 358.152 0.092 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@]2(C(N)=O)CCOC2)c(Cl)c1 ZINC000571105450 491286259 /nfs/dbraw/zinc/28/62/59/491286259.db2.gz GOGJJACQRNSPSS-CYBMUJFWSA-N -1 3 362.791 0.049 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CC[C@@H](CC(F)(F)F)C2)cn1C ZINC000434198792 489916599 /nfs/dbraw/zinc/91/65/99/489916599.db2.gz XYYZJPNPMPMQTA-JTQLQIEISA-N -1 3 368.381 0.808 10 0 FCAEHM O=C(CNC(=O)c1cccc([O-])c1)N1CCC(C(=O)N2CCCC2)CC1 ZINC000494915803 489920461 /nfs/dbraw/zinc/92/04/61/489920461.db2.gz QPPZVYXEXKFKDF-UHFFFAOYSA-N -1 3 359.426 0.983 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)c3ccc4n[nH]c(=O)n4c3)cc2n(C)c1=O ZINC000461617887 489921755 /nfs/dbraw/zinc/92/17/55/489921755.db2.gz HTLPSXQHMTYDFB-UHFFFAOYSA-N -1 3 354.326 0.583 10 0 FCAEHM CN(CC(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)[C@@H]1CCSC1 ZINC000461618824 489921793 /nfs/dbraw/zinc/92/17/93/489921793.db2.gz LINXAYFFVMDDPU-SNVBAGLBSA-N -1 3 350.444 0.958 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)c3cnc4[nH]c(=O)[nH]c4c3)cc2n(C)c1=O ZINC000461617104 489921891 /nfs/dbraw/zinc/92/18/91/489921891.db2.gz JNOJTIKVVLGWJI-UHFFFAOYSA-N -1 3 354.326 0.812 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NCc1ccc(C(=O)Nc2cccnc2)cc1 ZINC000477289073 489955453 /nfs/dbraw/zinc/95/54/53/489955453.db2.gz DICBLIUXFHVZBQ-UHFFFAOYSA-N -1 3 367.365 0.502 10 0 FCAEHM CCn1c(NC(=O)C[N-]S(=O)(=O)CCCOC)nc2cccnc21 ZINC000477367657 489960627 /nfs/dbraw/zinc/96/06/27/489960627.db2.gz XLQOQIFCDAYDDV-UHFFFAOYSA-N -1 3 355.420 0.346 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000377857766 489969127 /nfs/dbraw/zinc/96/91/27/489969127.db2.gz UOUJNNZHIGJUQG-GGZOMVNGSA-N -1 3 370.427 0.971 10 0 FCAEHM COCCOCc1ccc(C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000462326681 489969422 /nfs/dbraw/zinc/96/94/22/489969422.db2.gz TWJLYZMCSOMHAX-GOSISDBHSA-N -1 3 361.398 0.664 10 0 FCAEHM CCN(CC)CCS(=O)(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436744782 490012005 /nfs/dbraw/zinc/01/20/05/490012005.db2.gz PRMBPFBSDQLLJJ-UHFFFAOYSA-N -1 3 369.487 0.822 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)Nc1nncs1 ZINC000441253473 490053128 /nfs/dbraw/zinc/05/31/28/490053128.db2.gz XLVBGALWSOMQIC-UHFFFAOYSA-N -1 3 363.371 0.916 10 0 FCAEHM COC(=O)c1ccc([C@H](NC(=O)CN2CC(=O)[N-]C2=O)C(F)(F)F)cc1 ZINC000479141850 490068907 /nfs/dbraw/zinc/06/89/07/490068907.db2.gz HNLMPFYWECKMKV-LBPRGKRZSA-N -1 3 373.287 0.745 10 0 FCAEHM COC(=O)CCN(Cc1cccc(F)c1F)C(=O)CN1CC(=O)[N-]C1=O ZINC000464980558 490073734 /nfs/dbraw/zinc/07/37/34/490073734.db2.gz HQFCYMHYKRXJBA-UHFFFAOYSA-N -1 3 369.324 0.408 10 0 FCAEHM C[C@]1(c2cccc(C(=O)NCc3noc(C4CC4)n3)c2)NC(=O)[N-]C1=O ZINC000495682174 490088198 /nfs/dbraw/zinc/08/81/98/490088198.db2.gz NUGWBESICBWUPP-QGZVFWFLSA-N -1 3 355.354 0.932 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]CCc2nnc3n2CCC3)cc1F ZINC000445045545 490120271 /nfs/dbraw/zinc/12/02/71/490120271.db2.gz SPSORSDXMSACHL-UHFFFAOYSA-N -1 3 368.390 0.671 10 0 FCAEHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCn1ncnn1 ZINC000379758268 490126259 /nfs/dbraw/zinc/12/62/59/490126259.db2.gz AFKGLVFIWSQBNE-UHFFFAOYSA-N -1 3 362.209 0.423 10 0 FCAEHM COc1cccc(F)c1[C@@H](C)NC(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000545411832 490131861 /nfs/dbraw/zinc/13/18/61/490131861.db2.gz WXTKRVDHRWOUKE-MWLCHTKSSA-N -1 3 350.350 0.841 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2[C@H]2CNC(=O)C2)c(C)o1 ZINC000497364975 490153465 /nfs/dbraw/zinc/15/34/65/490153465.db2.gz LTUNKOAXUGXODL-YPMHNXCESA-N -1 3 369.443 0.627 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]CCNS(=O)(=O)c2cccs2)c1 ZINC000533010180 490156163 /nfs/dbraw/zinc/15/61/63/490156163.db2.gz ZEGQOLQNTOGLRX-UHFFFAOYSA-N -1 3 364.474 0.221 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N3CC[C@@H]3C(F)(F)F)cnc21 ZINC000564409222 491305920 /nfs/dbraw/zinc/30/59/20/491305920.db2.gz FUGYBLJWZPUSGK-MRVPVSSYSA-N -1 3 364.305 0.359 10 0 FCAEHM C[C@@H]1CC[C@@H](O)CN1C(=O)NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000422148732 490192068 /nfs/dbraw/zinc/19/20/68/490192068.db2.gz BRLKFZLSAUFWHV-OMPKRAJASA-N -1 3 360.414 0.796 10 0 FCAEHM CCOc1ccc(CNC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)cc1F ZINC000546142811 490195527 /nfs/dbraw/zinc/19/55/27/490195527.db2.gz MPZVIGFZQGOREA-LBPRGKRZSA-N -1 3 350.350 0.670 10 0 FCAEHM Nc1ccccc1S(=O)(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000467071911 490246573 /nfs/dbraw/zinc/24/65/73/490246573.db2.gz LIDRNBPOODTAOE-UHFFFAOYSA-N -1 3 361.470 0.587 10 0 FCAEHM CNS(=O)(=O)[C@@H]1CCN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)C1 ZINC000533547329 490252581 /nfs/dbraw/zinc/25/25/81/490252581.db2.gz JWNRAIIBDKGTBC-LLVKDONJSA-N -1 3 354.428 0.869 10 0 FCAEHM COC(=O)c1ccccc1CCC(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000447746863 490265438 /nfs/dbraw/zinc/26/54/38/490265438.db2.gz ROANWXIPPYARDX-GOSISDBHSA-N -1 3 359.382 0.606 10 0 FCAEHM Cc1ccccc1[C@H](CC(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O)NC(N)=O ZINC000447747250 490265469 /nfs/dbraw/zinc/26/54/69/490265469.db2.gz SWOVLEAYZCFWOR-UGSOOPFHSA-N -1 3 373.413 0.295 10 0 FCAEHM Cc1cccc(NC(=O)NCC(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000447751750 490266110 /nfs/dbraw/zinc/26/61/10/490266110.db2.gz CEFFYCLBJWNEES-KRWDZBQOSA-N -1 3 359.386 0.317 10 0 FCAEHM CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000447751971 490266369 /nfs/dbraw/zinc/26/63/69/490266369.db2.gz UEHNNISHKHQPKG-GTNSWQLSSA-N -1 3 367.450 0.309 10 0 FCAEHM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000482962297 490266816 /nfs/dbraw/zinc/26/68/16/490266816.db2.gz OZFZZWKCFMMBIE-AWEZNQCLSA-N -1 3 370.409 0.303 10 0 FCAEHM CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000447756413 490268424 /nfs/dbraw/zinc/26/84/24/490268424.db2.gz WGGWNIQZUHYRLK-SCLBCKFNSA-N -1 3 373.413 0.037 10 0 FCAEHM O=C1CN(Cc2nc(-c3ccc(Cn4cncn4)c(F)c3)no2)C(=O)[N-]1 ZINC000547098827 490268821 /nfs/dbraw/zinc/26/88/21/490268821.db2.gz MXUYRUIUUGQZKG-UHFFFAOYSA-N -1 3 357.305 0.567 10 0 FCAEHM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]Cc1ncn(Cc2cccc(F)c2)n1 ZINC000447765226 490272494 /nfs/dbraw/zinc/27/24/94/490272494.db2.gz KWTHLJPVZMFUDT-LLVKDONJSA-N -1 3 369.422 0.362 10 0 FCAEHM COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2cc(=O)[n-]c(N(C)C)n2)C1 ZINC000547325715 490279365 /nfs/dbraw/zinc/27/93/65/490279365.db2.gz WACGZSMAKAPBIT-NWDGAFQWSA-N -1 3 365.434 0.252 10 0 FCAEHM CC(=O)N1CSC[C@H]1C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000408233872 490281039 /nfs/dbraw/zinc/28/10/39/490281039.db2.gz YEAAYTSJJJFLAA-LBPRGKRZSA-N -1 3 350.400 0.443 10 0 FCAEHM CCOc1ccc(S(=O)(=O)N(C)C)cc1[N-]S(=O)(=O)N1CCC1 ZINC000507949021 490281390 /nfs/dbraw/zinc/28/13/90/490281390.db2.gz LFEOWIJWUXNCEV-UHFFFAOYSA-N -1 3 363.461 0.698 10 0 FCAEHM COc1cc([N-]C(=O)c2sccc2S(=O)(=O)N2CCCC2)nn1C ZINC000547494896 490306079 /nfs/dbraw/zinc/30/60/79/490306079.db2.gz QSSOQKVDESNESD-UHFFFAOYSA-N -1 3 370.456 1.527 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cn1C ZINC000408349219 490312600 /nfs/dbraw/zinc/31/26/00/490312600.db2.gz HFEHEHFLFJTTHP-CZUORRHYSA-N -1 3 370.475 0.160 10 0 FCAEHM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N(C)[C@H]2CN3CCC2CC3)c1 ZINC000467725896 490335412 /nfs/dbraw/zinc/33/54/12/490335412.db2.gz OOTRIDBFSUFIEV-HNNXBMFYSA-N -1 3 367.471 0.809 10 0 FCAEHM C[C@H]1CCN(C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)C[C@@H]1C(=O)[O-] ZINC000564655840 491318890 /nfs/dbraw/zinc/31/88/90/491318890.db2.gz MRZGLSZKZGUNLW-KBPBESRZSA-N -1 3 353.463 0.888 10 0 FCAEHM O=S(=O)(C[C@H]1CCOC1)[N-]Cc1ncn(Cc2cccc(F)c2)n1 ZINC000547718563 490347825 /nfs/dbraw/zinc/34/78/25/490347825.db2.gz BQTXIMBJMPUBGT-ZDUSSCGKSA-N -1 3 354.407 0.921 10 0 FCAEHM CC(=O)N1CCN(C(=O)Nc2ccc(C[C@H]3NC(=O)[N-]C3=O)cc2)[C@H](C)C1 ZINC000547831299 490365063 /nfs/dbraw/zinc/36/50/63/490365063.db2.gz OLYLWZHYCSSREH-IAQYHMDHSA-N -1 3 373.413 0.522 10 0 FCAEHM CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000564704190 491321200 /nfs/dbraw/zinc/32/12/00/491321200.db2.gz KPJBXQLFVVZOKV-HNAYVOBHSA-N -1 3 370.409 0.160 10 0 FCAEHM COc1ccc2c(c1)[n-]cc(C(=O)N1CCN(C(=O)[C@@H](C)O)CC1)c2=O ZINC000499079208 490386727 /nfs/dbraw/zinc/38/67/27/490386727.db2.gz XLXIWWLSZOQAFJ-LLVKDONJSA-N -1 3 359.382 0.202 10 0 FCAEHM Cc1cc(F)cc(-n2cc(C(=O)Nc3[n-]nnc3C(=O)NC3CC3)nn2)c1 ZINC000411113482 490388993 /nfs/dbraw/zinc/38/89/93/490388993.db2.gz VQFRDSJXGIFERJ-UHFFFAOYSA-N -1 3 370.348 0.977 10 0 FCAEHM Cc1cc(F)cc(-n2cc(C(=O)Nc3nn[n-]c3C(=O)NC3CC3)nn2)c1 ZINC000411113482 490389003 /nfs/dbraw/zinc/38/90/03/490389003.db2.gz VQFRDSJXGIFERJ-UHFFFAOYSA-N -1 3 370.348 0.977 10 0 FCAEHM Cc1cc(F)cc(-n2cc(C(=O)Nc3n[n-]nc3C(=O)NC3CC3)nn2)c1 ZINC000411113482 490389009 /nfs/dbraw/zinc/38/90/09/490389009.db2.gz VQFRDSJXGIFERJ-UHFFFAOYSA-N -1 3 370.348 0.977 10 0 FCAEHM NC(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccc([O-])c1 ZINC000509241057 490406836 /nfs/dbraw/zinc/40/68/36/490406836.db2.gz RPBLMKRPOUUFKL-MRXNPFEDSA-N -1 3 355.394 0.725 10 0 FCAEHM CNC(=O)[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000509299585 490413240 /nfs/dbraw/zinc/41/32/40/490413240.db2.gz ZTIXHSSIFSXMGL-MRVPVSSYSA-N -1 3 371.640 0.488 10 0 FCAEHM CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000564769121 491325381 /nfs/dbraw/zinc/32/53/81/491325381.db2.gz ZUYOUHRJTDLFHN-OAHLLOKOSA-N -1 3 355.398 0.917 10 0 FCAEHM CCCc1nc(=NC(=O)C(=O)N2CC[C@H]3[C@@H](CCCN3C)C2)s[n-]1 ZINC000411313868 490429202 /nfs/dbraw/zinc/42/92/02/490429202.db2.gz YTORVWOTUBZTKS-RYUDHWBXSA-N -1 3 351.476 0.794 10 0 FCAEHM CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)C[C@@H]1NC(=O)[N-]C1=O)O[C@H](C)C2 ZINC000535006571 490434389 /nfs/dbraw/zinc/43/43/89/490434389.db2.gz HJCKXHAFLLJUKX-OJDJGZDQSA-N -1 3 373.409 0.979 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)[C@H](C)CN1CCO ZINC000571744233 491326099 /nfs/dbraw/zinc/32/60/99/491326099.db2.gz VZSNLESFYRTCKF-VPZZIHKRSA-N -1 3 374.441 0.268 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N2C[C@@H](C)[C@@H]2C)s1 ZINC000509639434 490447360 /nfs/dbraw/zinc/44/73/60/490447360.db2.gz UXJYONIZTSTOJL-ZJUUUORDSA-N -1 3 359.473 0.529 10 0 FCAEHM CCOC(=O)CN(C(=O)C[N-]S(=O)(=O)c1cccs1)C1CCC1 ZINC000468798336 490449549 /nfs/dbraw/zinc/44/95/49/490449549.db2.gz CEXBAHQGQIYSBY-UHFFFAOYSA-N -1 3 360.457 0.971 10 0 FCAEHM C[C@H](CCNC(=O)CNC(=O)c1c[n-]c2ccccc2c1=O)[S@@](C)=O ZINC000484891936 490475910 /nfs/dbraw/zinc/47/59/10/490475910.db2.gz ZEVZRRBOBATLMK-SSINHNECSA-N -1 3 363.439 0.531 10 0 FCAEHM C[C@H](CNC(=O)C[C@@H]1NC(=O)[N-]C1=O)Oc1ccccc1Br ZINC000535337539 490480236 /nfs/dbraw/zinc/48/02/36/490480236.db2.gz XNQRRBUPGTZAGX-SCZZXKLOSA-N -1 3 370.203 0.931 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]Cc1ccc(S(N)(=O)=O)s1)C1CC1 ZINC000564903889 491334848 /nfs/dbraw/zinc/33/48/48/491334848.db2.gz CUMVZGMVUJXTIT-JTQLQIEISA-N -1 3 354.475 0.240 10 0 FCAEHM CCNC(=O)c1ccc(NCc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)nn1 ZINC000413111896 490499488 /nfs/dbraw/zinc/49/94/88/490499488.db2.gz QOYYCHVKBHUBNL-GOSISDBHSA-N -1 3 368.397 0.893 10 0 FCAEHM C[C@H](Cn1cncn1)NC(=O)NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000523929568 490503566 /nfs/dbraw/zinc/50/35/66/490503566.db2.gz AILDNMWTXZLPQQ-DIFFPNOSSA-N -1 3 371.401 0.221 10 0 FCAEHM CN(CC(=O)NC(C)(C)C)C(=O)C[N-]S(=O)(=O)c1ccccc1F ZINC000500380143 490509387 /nfs/dbraw/zinc/50/93/87/490509387.db2.gz IZBCZMIQKBWSTK-UHFFFAOYSA-N -1 3 359.423 0.477 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccc(F)c(F)c1)N1CC(n2ccnn2)C1 ZINC000500504049 490528686 /nfs/dbraw/zinc/52/86/86/490528686.db2.gz NPTIXKNXKJSDAB-UHFFFAOYSA-N -1 3 371.369 0.308 10 0 FCAEHM Cc1cc(C)cc(CS(=O)(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000548773134 490539635 /nfs/dbraw/zinc/53/96/35/490539635.db2.gz FUYQZXZNMQNCFX-MRXNPFEDSA-N -1 3 351.428 0.807 10 0 FCAEHM CC(C)C(=O)NCCC[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000535899395 490539887 /nfs/dbraw/zinc/53/98/87/490539887.db2.gz CGJLJHBLDVDHLL-UHFFFAOYSA-N -1 3 362.473 0.531 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCc3cc(F)c(F)cc32)cn1C ZINC000510822227 490542271 /nfs/dbraw/zinc/54/22/71/490542271.db2.gz UMZDSKQISOFLEN-UHFFFAOYSA-N -1 3 370.381 0.874 10 0 FCAEHM COc1nc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)n[n-]1 ZINC000536107589 490554802 /nfs/dbraw/zinc/55/48/02/490554802.db2.gz QQPBOPIZMGPCFW-UHFFFAOYSA-N -1 3 359.795 0.726 10 0 FCAEHM COc1nnc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)[n-]1 ZINC000536107589 490554804 /nfs/dbraw/zinc/55/48/04/490554804.db2.gz QQPBOPIZMGPCFW-UHFFFAOYSA-N -1 3 359.795 0.726 10 0 FCAEHM COc1n[n-]c(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000536107589 490554807 /nfs/dbraw/zinc/55/48/07/490554807.db2.gz QQPBOPIZMGPCFW-UHFFFAOYSA-N -1 3 359.795 0.726 10 0 FCAEHM COC(=O)c1sc([N-]C(=O)c2ccnc(S(C)(=O)=O)n2)nc1C ZINC000485735692 490556312 /nfs/dbraw/zinc/55/63/12/490556312.db2.gz RSAWIKDNVLFBJH-UHFFFAOYSA-N -1 3 356.385 0.684 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)N1C[C@@H]2COC[C@H](C1)O2 ZINC000549134157 490566057 /nfs/dbraw/zinc/56/60/57/490566057.db2.gz SGMJRBBVHIMXIY-TXEJJXNPSA-N -1 3 358.391 0.120 10 0 FCAEHM CN(C)c1nc(C(=O)N2CCN(C(=O)c3ccccn3)CC2)cc(=O)[n-]1 ZINC000549236749 490570612 /nfs/dbraw/zinc/57/06/12/490570612.db2.gz MRQDBLAASAPQDD-UHFFFAOYSA-N -1 3 356.386 0.241 10 0 FCAEHM CN(C)c1nc(C(=O)Nc2cccc(N3C(=O)CNC3=O)c2)cc(=O)[n-]1 ZINC000549239687 490571106 /nfs/dbraw/zinc/57/11/06/490571106.db2.gz FMISNEGMZIIYAR-UHFFFAOYSA-N -1 3 356.342 0.557 10 0 FCAEHM CN(C)c1nc(C(=O)Nc2cc(-c3cccnc3)nn2CCO)cc(=O)[n-]1 ZINC000549377248 490579775 /nfs/dbraw/zinc/57/97/75/490579775.db2.gz IPQSWRBFXQXZGL-UHFFFAOYSA-N -1 3 369.385 0.751 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c1 ZINC000511329961 490581526 /nfs/dbraw/zinc/58/15/26/490581526.db2.gz WYTISUAIYKVBKB-RYUDHWBXSA-N -1 3 364.493 0.289 10 0 FCAEHM O=C(c1ccn(-c2c(F)cccc2F)n1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000536543576 490588565 /nfs/dbraw/zinc/58/85/65/490588565.db2.gz ZJCXEJFKYILXED-LBPRGKRZSA-N -1 3 361.308 0.527 10 0 FCAEHM CN(C)c1nc(C(=O)Nc2ccc(C[C@H]3NC(=O)NC3=O)cc2)cc(=O)[n-]1 ZINC000549651878 490592947 /nfs/dbraw/zinc/59/29/47/490592947.db2.gz BKZZITKTPFHBGR-LLVKDONJSA-N -1 3 370.369 0.251 10 0 FCAEHM CS(=O)(=O)N1CCCC[C@H]1C[N-]S(=O)(=O)c1ccccc1F ZINC000511417198 490593437 /nfs/dbraw/zinc/59/34/37/490593437.db2.gz ZBULAIICBMDQLA-NSHDSACASA-N -1 3 350.437 0.918 10 0 FCAEHM CS(=O)(=O)N1CCCC[C@H]1C[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000511412376 490593611 /nfs/dbraw/zinc/59/36/11/490593611.db2.gz HYIATWOLXSEEBT-NSHDSACASA-N -1 3 367.880 0.827 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)c1 ZINC000511438097 490595931 /nfs/dbraw/zinc/59/59/31/490595931.db2.gz ROTMDXSZMRRACJ-UHFFFAOYSA-N -1 3 371.850 0.985 10 0 FCAEHM O=C(c1sccc1S(=O)(=O)[N-]Cc1ccco1)N1CCNC(=O)C1 ZINC000511457619 490597881 /nfs/dbraw/zinc/59/78/81/490597881.db2.gz BGZPGVCQWSPMHC-UHFFFAOYSA-N -1 3 369.424 0.392 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]C2(C(=O)OC)CCC(C(=O)OC)CC2)c1 ZINC000536704771 490608257 /nfs/dbraw/zinc/60/82/57/490608257.db2.gz GYUUMUPNVMINEN-UHFFFAOYSA-N -1 3 373.431 0.456 10 0 FCAEHM COC(=O)[C@H]1CN(C(=O)C(=O)NCc2ncccc2[O-])c2ccccc2O1 ZINC000525947295 490657944 /nfs/dbraw/zinc/65/79/44/490657944.db2.gz QYUHAGLPGNEVIB-OAHLLOKOSA-N -1 3 371.349 0.371 10 0 FCAEHM COC(=O)C1CCN(CCCNC(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000502056147 490673325 /nfs/dbraw/zinc/67/33/25/490673325.db2.gz QBNASLKOBOSEJE-UHFFFAOYSA-N -1 3 372.425 0.928 10 0 FCAEHM COCCNC(=O)CN1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000512322190 490675468 /nfs/dbraw/zinc/67/54/68/490675468.db2.gz KEVDRDJRGJGEOL-UHFFFAOYSA-N -1 3 372.425 0.049 10 0 FCAEHM CN(CCO)S(=O)(=O)c1ccc(C(=O)NCc2ncccc2[O-])cc1 ZINC000537383795 490675733 /nfs/dbraw/zinc/67/57/33/490675733.db2.gz NZSDRWGPCSWTSM-UHFFFAOYSA-N -1 3 365.411 0.330 10 0 FCAEHM Cc1nc(CN(C)C(=O)[C@H](C)[N-]S(=O)(=O)c2c(C)noc2C)no1 ZINC000512563036 490688180 /nfs/dbraw/zinc/68/81/80/490688180.db2.gz BRLCVSPJNJGMLQ-QMMMGPOBSA-N -1 3 357.392 0.308 10 0 FCAEHM CCn1c(=O)[n-]c(=O)c2c(C(=O)NC[C@](C)(O)CO)cc(C(C)C)nc21 ZINC000537720245 490690668 /nfs/dbraw/zinc/69/06/68/490690668.db2.gz NCQQOYKPKMZZSC-KRWDZBQOSA-N -1 3 364.402 0.114 10 0 FCAEHM CN(C)c1nc(C(=O)Nc2ccc(F)c(N3C(=O)CNC3=O)c2)cc(=O)[n-]1 ZINC000527026717 490693467 /nfs/dbraw/zinc/69/34/67/490693467.db2.gz UCNARPJVEQQYRK-UHFFFAOYSA-N -1 3 374.332 0.696 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]C[C@H](O)CS(=O)(=O)c2cccs2)o1 ZINC000538012173 490705154 /nfs/dbraw/zinc/70/51/54/490705154.db2.gz MWTIPRZPKCACFD-JTQLQIEISA-N -1 3 365.454 0.763 10 0 FCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000487366120 490708689 /nfs/dbraw/zinc/70/86/89/490708689.db2.gz QIJLBGGHWFRLFZ-DTWKUNHWSA-N -1 3 364.370 0.699 10 0 FCAEHM CCN(CC(=O)OC)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000502675948 490715434 /nfs/dbraw/zinc/71/54/34/490715434.db2.gz OZZKGJZLGCONOL-UHFFFAOYSA-N -1 3 354.837 0.701 10 0 FCAEHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]C[C@]1(CCO)CCOC1 ZINC000538143352 490716647 /nfs/dbraw/zinc/71/66/47/490716647.db2.gz HWIVGOJSJNYEFE-HNNXBMFYSA-N -1 3 361.391 0.680 10 0 FCAEHM O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)NCc1ncccc1[O-] ZINC000557032140 491350217 /nfs/dbraw/zinc/35/02/17/491350217.db2.gz ZXUQENPEEJRJQK-UHFFFAOYSA-N -1 3 361.383 0.258 10 0 FCAEHM Cc1c(NC(=O)C(=O)NCc2ncccc2[O-])cccc1-n1cnnn1 ZINC000527479203 490728207 /nfs/dbraw/zinc/72/82/07/490728207.db2.gz AXZDUALGJYWRRU-UHFFFAOYSA-N -1 3 353.342 0.326 10 0 FCAEHM CNS(=O)(=O)c1cc([N-]C(=O)c2cc(C(=O)OC)on2)ccc1C ZINC000538834019 490753312 /nfs/dbraw/zinc/75/33/12/490753312.db2.gz MYJAPSXQRNPRPV-UHFFFAOYSA-N -1 3 353.356 0.930 10 0 FCAEHM CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-]CC[C@@H](C)O)s1 ZINC000539120008 490763764 /nfs/dbraw/zinc/76/37/64/490763764.db2.gz RQWGYMDXUKYEGI-SNVBAGLBSA-N -1 3 370.518 0.279 10 0 FCAEHM CN(C)c1ncc(NC(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)cn1 ZINC000503647943 490768634 /nfs/dbraw/zinc/76/86/34/490768634.db2.gz LTNLQVSCHJALAI-QGZVFWFLSA-N -1 3 354.370 0.850 10 0 FCAEHM Cc1ccc(CC[C@H](C)NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)o1 ZINC000503687347 490771601 /nfs/dbraw/zinc/77/16/01/490771601.db2.gz KOLZFUDJASTRDX-NSHDSACASA-N -1 3 354.432 0.737 10 0 FCAEHM CO[C@H](CS(=O)(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1)c1ccc(F)cc1 ZINC000528367128 490790761 /nfs/dbraw/zinc/79/07/61/490790761.db2.gz RNWGFWZTZQTPBC-CHWSQXEVSA-N -1 3 371.390 0.079 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)Nc1cc(OC)cc(OC)c1C ZINC000504271273 490793787 /nfs/dbraw/zinc/79/37/87/490793787.db2.gz LXQMXFYPFHODFZ-UHFFFAOYSA-N -1 3 360.432 0.907 10 0 FCAEHM O=S(=O)([N-]C[C@H](n1cccn1)C(F)(F)F)c1cnn2c1OCCC2 ZINC000528453153 490798667 /nfs/dbraw/zinc/79/86/67/490798667.db2.gz RDCZGMQRSRBEOM-JTQLQIEISA-N -1 3 365.337 0.944 10 0 FCAEHM COCCOc1ccc(F)cc1S(=O)(=O)[N-]C[C@H](O)[C@H]1CCCO1 ZINC000528486924 490803231 /nfs/dbraw/zinc/80/32/31/490803231.db2.gz LEYKJHYZYOYMKB-QWHCGFSZSA-N -1 3 363.407 0.669 10 0 FCAEHM CN1C(=O)c2ccccc2[C@@H]1C[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000528544163 490808033 /nfs/dbraw/zinc/80/80/33/490808033.db2.gz AWFRVBKEIWHVGQ-ZDUSSCGKSA-N -1 3 362.411 0.771 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)Nc2cc(COC)ncn2)s1 ZINC000540106525 490808185 /nfs/dbraw/zinc/80/81/85/490808185.db2.gz UVRPSXQQRAKQFN-UHFFFAOYSA-N -1 3 371.444 0.914 10 0 FCAEHM CC(C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC2COC2)cc1F ZINC000528563147 490809722 /nfs/dbraw/zinc/80/97/22/490809722.db2.gz DFSQBGMNVRQCPZ-UHFFFAOYSA-N -1 3 366.436 0.901 10 0 FCAEHM Cc1ccnc(Nc2cccc(C(=O)N3CCN4C(=O)[N-]C(=O)[C@@H]4C3)c2)n1 ZINC000528782070 490827884 /nfs/dbraw/zinc/82/78/84/490827884.db2.gz IHNDILPRSJUZOV-AWEZNQCLSA-N -1 3 366.381 0.905 10 0 FCAEHM O=C(c1nc(C(F)(F)F)n2c1CCCC2)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000528784709 490828257 /nfs/dbraw/zinc/82/82/57/490828257.db2.gz PJCFFHVYADNSRA-SECBINFHSA-N -1 3 371.319 0.614 10 0 FCAEHM COCCN(C(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)[C@H]1CCOC1 ZINC000515580776 490832420 /nfs/dbraw/zinc/83/24/20/490832420.db2.gz VUWGUCFRKZBIQG-KSSFIOAISA-N -1 3 361.398 0.619 10 0 FCAEHM CNC(=O)CNC(=O)c1cccc(NC(=O)NCc2ncccc2[O-])c1 ZINC000505806196 490840228 /nfs/dbraw/zinc/84/02/28/490840228.db2.gz DHCXGHHUKBBFOV-UHFFFAOYSA-N -1 3 357.370 0.585 10 0 FCAEHM Cc1ccc(-c2nnn(CC(=O)N3CCC[C@@H]3c3nc(=N)n(C)[n-]3)n2)cc1 ZINC000515855575 490841408 /nfs/dbraw/zinc/84/14/08/490841408.db2.gz GPWOASHGXXUHRI-CYBMUJFWSA-N -1 3 367.417 0.553 10 0 FCAEHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@]2(CCO)CCOC2)c1 ZINC000541125296 490850806 /nfs/dbraw/zinc/85/08/06/490850806.db2.gz QJOSBXGYMQPVOU-HNNXBMFYSA-N -1 3 361.391 0.680 10 0 FCAEHM CNC(=O)NC[C@H]1CN(C(=O)c2cc(OC)c([O-])c(OC)c2)CCO1 ZINC000529742933 490871214 /nfs/dbraw/zinc/87/12/14/490871214.db2.gz KRWMYUMUVHUSDQ-NSHDSACASA-N -1 3 353.375 0.179 10 0 FCAEHM COc1ccc(C(=O)NC[C@]2(CO)COCC3(CCC3)N2C)c([O-])c1 ZINC000529753771 490873216 /nfs/dbraw/zinc/87/32/16/490873216.db2.gz REEYNBKZLYPXDW-SFHVURJKSA-N -1 3 350.415 0.746 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2c(C(=O)NC[C@@H](O)[C@@H]3CCCO3)cc(C3CC3)nc21 ZINC000529759631 490875273 /nfs/dbraw/zinc/87/52/73/490875273.db2.gz AFFBDYHMFYORMU-OLZOCXBDSA-N -1 3 374.397 0.181 10 0 FCAEHM CC(C)[C@H]1CN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)CCN1Cc1ccccc1 ZINC000529802904 490877686 /nfs/dbraw/zinc/87/76/86/490877686.db2.gz JISTVAPGUDEGRF-JKSUJKDBSA-N -1 3 358.442 0.954 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NCc1cc(F)c(Br)cc1F ZINC000529878083 490879775 /nfs/dbraw/zinc/87/97/75/490879775.db2.gz VELNHVIVWHEPBX-UHFFFAOYSA-N -1 3 362.130 0.895 10 0 FCAEHM CCN(Cc1cn(C)nn1)C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000541975033 490880883 /nfs/dbraw/zinc/88/08/83/490880883.db2.gz JOVSJAAPKVJORH-UHFFFAOYSA-N -1 3 355.395 0.988 10 0 FCAEHM Cc1ncc(S(=O)(=O)[N-][C@H]2CCCN(Cc3nccn3C)C2=O)s1 ZINC000542120742 490886260 /nfs/dbraw/zinc/88/62/60/490886260.db2.gz BPNWQCQSOSLIPY-NSHDSACASA-N -1 3 369.472 0.655 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccc(=O)[nH]n2)cn1 ZINC000530079201 490887731 /nfs/dbraw/zinc/88/77/31/490887731.db2.gz JRNDKLBKFUNDIB-GFCCVEGCSA-N -1 3 363.399 0.463 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2ccc(=O)[nH]n2)cn1 ZINC000530079203 490887755 /nfs/dbraw/zinc/88/77/55/490887755.db2.gz JRNDKLBKFUNDIB-LBPRGKRZSA-N -1 3 363.399 0.463 10 0 FCAEHM C[C@H]1CCN(CC(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000565203996 491360015 /nfs/dbraw/zinc/36/00/15/491360015.db2.gz KZUVBYZIYGUNBU-NSHDSACASA-N -1 3 361.414 0.701 10 0 FCAEHM Cc1ccc(-n2cccn2)cc1NC(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000530503601 490909691 /nfs/dbraw/zinc/90/96/91/490909691.db2.gz FDYKHFAAWCZFSP-CQSZACIVSA-N -1 3 354.370 0.949 10 0 FCAEHM C[C@@]1(c2ccc(CNC(=O)N3CCn4nncc4C3)cc2)NC(=O)[N-]C1=O ZINC000517583664 490913475 /nfs/dbraw/zinc/91/34/75/490913475.db2.gz OEAZUIQRXNCRIR-KRWDZBQOSA-N -1 3 369.385 0.058 10 0 FCAEHM CCN(Cc1cn(C)nn1)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000542897773 490914921 /nfs/dbraw/zinc/91/49/21/490914921.db2.gz MFIKRLXLRRWKNC-UHFFFAOYSA-N -1 3 372.476 0.387 10 0 FCAEHM Nc1ncc2c(n1)CCN(C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])C2 ZINC000517675245 490916127 /nfs/dbraw/zinc/91/61/27/490916127.db2.gz GYALCCYCHKWHMS-HNNXBMFYSA-N -1 3 367.409 0.954 10 0 FCAEHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(N)=O)C2)c1 ZINC000542977438 490917266 /nfs/dbraw/zinc/91/72/66/490917266.db2.gz GDNIAUWVDHELEH-BXKDBHETSA-N -1 3 358.391 0.935 10 0 FCAEHM O=C(c1ccn(-c2cccc(Cl)c2)n1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000530666553 490918684 /nfs/dbraw/zinc/91/86/84/490918684.db2.gz GGLFQGKXTDWROV-CYBMUJFWSA-N -1 3 359.773 0.902 10 0 FCAEHM CN1C(=O)CC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1=O ZINC000572357841 491364629 /nfs/dbraw/zinc/36/46/29/491364629.db2.gz LFUYBNJJGNCOSA-OLZOCXBDSA-N -1 3 359.382 0.260 10 0 FCAEHM CN1C(=O)CC[C@H](NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C1=O ZINC000572357842 491364653 /nfs/dbraw/zinc/36/46/53/491364653.db2.gz LFUYBNJJGNCOSA-QWHCGFSZSA-N -1 3 359.382 0.260 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(CC(=O)NCCO)cc1)C1CC1 ZINC000518376082 490938479 /nfs/dbraw/zinc/93/84/79/490938479.db2.gz XMJYDCSSDKPJIV-HNNXBMFYSA-N -1 3 356.444 0.504 10 0 FCAEHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](CO)c1ccnn1C ZINC000518397815 490939823 /nfs/dbraw/zinc/93/98/23/490939823.db2.gz LNEWNLFBTPDBNZ-JTQLQIEISA-N -1 3 357.363 0.358 10 0 FCAEHM COC(=O)c1ccc(-c2nc(CN3CCN4C(=O)[N-]C(=O)[C@@H]4C3)co2)cc1 ZINC000543902825 490950722 /nfs/dbraw/zinc/95/07/22/490950722.db2.gz JSGRPASOBXCNEP-AWEZNQCLSA-N -1 3 370.365 0.864 10 0 FCAEHM C[C@@]1(c2ccc(CNC(=O)[C@@H](O)C3CCOCC3)cc2)NC(=O)[N-]C1=O ZINC000531296234 490950752 /nfs/dbraw/zinc/95/07/52/490950752.db2.gz OXORJVWOBLLBBR-KSSFIOAISA-N -1 3 361.398 0.145 10 0 FCAEHM C[C@@H](NC(=O)CNC(=O)c1ccccn1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000673507874 493337096 /nfs/dbraw/zinc/33/70/96/493337096.db2.gz CYRITQPENPQEED-VXGBXAGGSA-N -1 3 371.397 0.692 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccnc(OC(F)F)c2)cn1 ZINC000572502410 491375072 /nfs/dbraw/zinc/37/50/72/491375072.db2.gz SEWMGOZAGMUQHW-UHFFFAOYSA-N -1 3 372.353 0.916 10 0 FCAEHM C[C@@H](O)CCNS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)F)cc1 ZINC000565609673 491388848 /nfs/dbraw/zinc/38/88/48/491388848.db2.gz QOBLGYRWHRZMNQ-SECBINFHSA-N -1 3 372.415 0.279 10 0 FCAEHM COc1ccc(C(=O)N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)cc1OCCO ZINC000565779692 491398900 /nfs/dbraw/zinc/39/89/00/491398900.db2.gz TURQCMGSPYRUMW-GFCCVEGCSA-N -1 3 361.402 0.585 10 0 FCAEHM C[C@H]1CN(S(=O)(=O)[N-]Cc2nc(-c3ccncc3)no2)C[C@H](C)O1 ZINC000557883394 491403770 /nfs/dbraw/zinc/40/37/70/491403770.db2.gz VDNWLMCSDIUVMQ-QWRGUYRKSA-N -1 3 353.404 0.575 10 0 FCAEHM CCC[C@@H](C)[C@H](CO)NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000573010258 491407102 /nfs/dbraw/zinc/40/71/02/491407102.db2.gz TVHZGYNLLBZZLW-SCZZXKLOSA-N -1 3 362.224 0.625 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](Nc3ncccn3)C2)cn1 ZINC000573251867 491422357 /nfs/dbraw/zinc/42/23/57/491422357.db2.gz DQRQCQKCFSCNRN-LBPRGKRZSA-N -1 3 362.415 0.106 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](Nc3ncccn3)C2)cn1 ZINC000573251866 491422563 /nfs/dbraw/zinc/42/25/63/491422563.db2.gz DQRQCQKCFSCNRN-GFCCVEGCSA-N -1 3 362.415 0.106 10 0 FCAEHM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)[N-][C@@H]2CNCCC2(F)F)C1 ZINC000566224195 491427258 /nfs/dbraw/zinc/42/72/58/491427258.db2.gz HQMRDBQLVHCHMI-GHMZBOCLSA-N -1 3 355.407 0.093 10 0 FCAEHM C[C@](O)(CO)CNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000566282425 491432739 /nfs/dbraw/zinc/43/27/39/491432739.db2.gz GBOPQCWSNLZQQR-GFCCVEGCSA-N -1 3 371.242 0.131 10 0 FCAEHM Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000558984339 491450324 /nfs/dbraw/zinc/45/03/24/491450324.db2.gz GKZRWIQAYUXXLI-CYBMUJFWSA-N -1 3 360.418 0.812 10 0 FCAEHM NC(=O)CCCCC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000559052673 491453443 /nfs/dbraw/zinc/45/34/43/491453443.db2.gz ZTTPNXXWRKHTRS-UHFFFAOYSA-N -1 3 363.386 0.405 10 0 FCAEHM COc1ccc(C(=O)N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)cc1-n1cnnn1 ZINC000559258377 491458851 /nfs/dbraw/zinc/45/88/51/491458851.db2.gz SMRFNPCAMBIMNM-LLVKDONJSA-N -1 3 369.389 0.189 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)c2cnc(C(=O)OC(C)(C)C)cn2)nc1=N ZINC000573854021 491459124 /nfs/dbraw/zinc/45/91/24/491459124.db2.gz MTZYSUWGLLWCRM-LBPRGKRZSA-N -1 3 373.417 0.950 10 0 FCAEHM COC(C)(C)CS(=O)(=O)[N-]C[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000566676047 491459597 /nfs/dbraw/zinc/45/95/97/491459597.db2.gz PSFMXCMQXYDFKD-LLVKDONJSA-N -1 3 363.457 0.566 10 0 FCAEHM COC[C@@H](C(N)=O)N(C)Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000559294620 491462231 /nfs/dbraw/zinc/46/22/31/491462231.db2.gz SBILVBSIWSWKSI-QMMMGPOBSA-N -1 3 368.415 0.012 10 0 FCAEHM COC(=O)[C@H](NC(=O)CN1CC(=O)[N-]C1=O)c1ccc2ccccc2c1 ZINC000574233933 491483184 /nfs/dbraw/zinc/48/31/84/491483184.db2.gz RQXVLDVLWNQOAZ-MRXNPFEDSA-N -1 3 355.350 0.722 10 0 FCAEHM C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)C[N-]S(=O)(=O)c1ccccc1F ZINC000567087847 491484861 /nfs/dbraw/zinc/48/48/61/491484861.db2.gz KCKRAZDAHRCXCQ-GHMZBOCLSA-N -1 3 357.407 0.216 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1cc(F)c(N2CCOCC2)cc1F ZINC000574352718 491491135 /nfs/dbraw/zinc/49/11/35/491491135.db2.gz FVVWYCHBVGMICL-NSHDSACASA-N -1 3 354.313 0.338 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-][C@@H]1CCN(c2cc(C)nn2C)C1=O)C1CC1 ZINC000567497288 491509866 /nfs/dbraw/zinc/50/98/66/491509866.db2.gz OZCUUBCZXKZTQH-OLZOCXBDSA-N -1 3 356.448 0.178 10 0 FCAEHM CCOC1CC(C[N-]S(=O)(=O)c2cscn2)(N2CCOCC2)C1 ZINC000574688753 491513557 /nfs/dbraw/zinc/51/35/57/491513557.db2.gz WNKQJQCEGOBESY-UHFFFAOYSA-N -1 3 361.489 0.691 10 0 FCAEHM CO[C@H](CS(=O)(=O)N1CCC[C@@H]1C[C@@]1(C)NC(=O)[N-]C1=O)C1CC1 ZINC000574752604 491518016 /nfs/dbraw/zinc/51/80/16/491518016.db2.gz LYVHIALWEHJYOD-LALPHHSUSA-N -1 3 359.448 0.194 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-][C@H](C(=O)OC)[C@@H]2CCC[C@H](OC)C2)c1 ZINC000568037491 491549469 /nfs/dbraw/zinc/54/94/69/491549469.db2.gz ADYGWRBMJRENMV-DYEKYZERSA-N -1 3 359.448 0.928 10 0 FCAEHM C[C@H](CCNC(=O)C[N-]S(=O)(=O)c1ccccc1F)[S@](C)=O ZINC000568337365 491570218 /nfs/dbraw/zinc/57/02/18/491570218.db2.gz GPUCMSNSHSWCPH-UZJPJQLHSA-N -1 3 350.437 0.377 10 0 FCAEHM CCOC(=O)c1ccc(N2CC([N-]S(=O)(=O)c3cscn3)C2)nc1 ZINC000576035470 491577499 /nfs/dbraw/zinc/57/74/99/491577499.db2.gz NNFCIOXQBGYWKW-UHFFFAOYSA-N -1 3 368.440 0.882 10 0 FCAEHM CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[C@@]1(C)NC(=O)[N-]C1=O ZINC000576214815 491593495 /nfs/dbraw/zinc/59/34/95/491593495.db2.gz LQNIXGCIDFSQJJ-SNUQEOBHSA-N -1 3 364.446 0.613 10 0 FCAEHM CN(C)c1ncnc2c1cc(C(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1)n2C ZINC000568872515 491615816 /nfs/dbraw/zinc/61/58/16/491615816.db2.gz QJKQBCLIGRUOSO-LLVKDONJSA-N -1 3 369.433 0.553 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H](CO)c2cccnc2)oc1C ZINC000561557872 491616649 /nfs/dbraw/zinc/61/66/49/491616649.db2.gz CQGMSEPQYJIRLH-LBPRGKRZSA-N -1 3 354.384 0.824 10 0 FCAEHM CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1cscn1 ZINC000576515009 491620894 /nfs/dbraw/zinc/62/08/94/491620894.db2.gz WIMFPYYMYAKKPM-ZJUUUORDSA-N -1 3 353.491 0.529 10 0 FCAEHM O=C(NC[C@H]1CC[C@@H](c2ccccc2)O1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000568941376 491620975 /nfs/dbraw/zinc/62/09/75/491620975.db2.gz JEYAPDGJXGYDHC-ILXRZTDVSA-N -1 3 358.398 0.852 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCC[C@H]2COCC[C@@H]21 ZINC000578584236 491680279 /nfs/dbraw/zinc/68/02/79/491680279.db2.gz HNWIDOXHZBSSDJ-STQMWFEESA-N -1 3 357.432 0.597 10 0 FCAEHM C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)Cc2cncc([O-])c2)CC1 ZINC000578667573 491682072 /nfs/dbraw/zinc/68/20/72/491682072.db2.gz VROCDLZGMBWGNA-AWEZNQCLSA-N -1 3 360.458 0.921 10 0 FCAEHM O=C(Cc1sccc1Br)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000578714578 491682725 /nfs/dbraw/zinc/68/27/25/491682725.db2.gz QUZRACNGXWVUHS-MRVPVSSYSA-N -1 3 358.217 0.816 10 0 FCAEHM CCN([C@@H]1CCOC1)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1CC1 ZINC000579064491 491690185 /nfs/dbraw/zinc/69/01/85/491690185.db2.gz KNEOMORCLOOJNV-CYBMUJFWSA-N -1 3 374.484 0.927 10 0 FCAEHM C[C@@H](Sc1nnnn1C1CC1)C(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1 ZINC000579527974 491699781 /nfs/dbraw/zinc/69/97/81/491699781.db2.gz UQUYQHKBRLZNTO-SCZZXKLOSA-N -1 3 363.451 0.393 10 0 FCAEHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]Cc3nnnn3CC3CC3)cn21 ZINC000580631590 491739458 /nfs/dbraw/zinc/73/94/58/491739458.db2.gz LRXMHAHMQJHICX-SNVBAGLBSA-N -1 3 351.436 0.655 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C[C@@H]1CCS(=O)(=O)C1 ZINC000589214632 491757417 /nfs/dbraw/zinc/75/74/17/491757417.db2.gz KZGDIRCYFZVZMN-JTQLQIEISA-N -1 3 365.429 0.396 10 0 FCAEHM CC(C)(C)OC(=O)Cn1cc(I)c(=O)[n-]c1=O ZINC000581380834 491770654 /nfs/dbraw/zinc/77/06/54/491770654.db2.gz GYLILQXIKLSUKW-UHFFFAOYSA-N -1 3 352.128 0.895 10 0 FCAEHM CCOC(=O)C[C@@H](CO)NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000590554565 491779301 /nfs/dbraw/zinc/77/93/01/491779301.db2.gz FCCUBESPUQKLLK-LBPRGKRZSA-N -1 3 352.387 0.251 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]CC2(NS(C)(=O)=O)CCCCC2)c1 ZINC000673819465 493364213 /nfs/dbraw/zinc/36/42/13/493364213.db2.gz NNEJZJMQKKPAGA-UHFFFAOYSA-N -1 3 364.493 0.433 10 0 FCAEHM CNC(=O)[C@H]1CCCN1C(=O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000591171657 491797892 /nfs/dbraw/zinc/79/78/92/491797892.db2.gz WSBRWGHMFCKNJG-GFCCVEGCSA-N -1 3 357.407 0.231 10 0 FCAEHM NCC(F)(F)CC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000582853290 491829370 /nfs/dbraw/zinc/82/93/70/491829370.db2.gz WPNKXSLFSYIVOS-UHFFFAOYSA-N -1 3 373.784 0.858 10 0 FCAEHM COC(=O)CSCC[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000592026639 491827934 /nfs/dbraw/zinc/82/79/34/491827934.db2.gz DHZQUHIUVSCORH-UHFFFAOYSA-N -1 3 364.445 0.474 10 0 FCAEHM COC(=O)c1ccc(C[N-]S(=O)(=O)C[C@@H](OC)C2CCOCC2)o1 ZINC000592029158 491828100 /nfs/dbraw/zinc/82/81/00/491828100.db2.gz DRRGLYRNSAQOBT-CQSZACIVSA-N -1 3 361.416 0.927 10 0 FCAEHM COC(=O)C[C@]1([N-]S(=O)(=O)C[C@@H](OC)C2CCOCC2)CCOC1 ZINC000592047447 491829588 /nfs/dbraw/zinc/82/95/88/491829588.db2.gz XBQRSRHGOKCUPH-UKRRQHHQSA-N -1 3 365.448 0.070 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]CCCc2ncn(C)n2)c(F)c1 ZINC000592069799 491830295 /nfs/dbraw/zinc/83/02/95/491830295.db2.gz SLUSWOWPMNYSEA-UHFFFAOYSA-N -1 3 356.379 0.652 10 0 FCAEHM CN1C(=O)COc2cc(NC(=O)C(=O)NCc3ncccc3[O-])ccc21 ZINC000582883797 491830644 /nfs/dbraw/zinc/83/06/44/491830644.db2.gz LHIGHWHWUPHSSS-UHFFFAOYSA-N -1 3 356.338 0.397 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]CC(C)(C)[C@]2(O)CCOC2)s1 ZINC000592087696 491831300 /nfs/dbraw/zinc/83/13/00/491831300.db2.gz RXTPJUNMGDXLIL-AWEZNQCLSA-N -1 3 363.457 0.991 10 0 FCAEHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C)c(N(C)C)c1)c1ccnn1C ZINC000592091264 491831511 /nfs/dbraw/zinc/83/15/11/491831511.db2.gz HYLMDPYDLWAZGQ-OAHLLOKOSA-N -1 3 366.443 0.987 10 0 FCAEHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc2c(c1)N(C)CC2)c1ccnn1C ZINC000592091724 491831734 /nfs/dbraw/zinc/83/17/34/491831734.db2.gz KMEFVYBWXTZMNS-OAHLLOKOSA-N -1 3 364.427 0.605 10 0 FCAEHM CCOc1ccncc1S(=O)(=O)[N-][C@H](C(=O)OC)c1ccnn1C ZINC000592098420 491832094 /nfs/dbraw/zinc/83/20/94/491832094.db2.gz VGIGTYVZTORDLG-ZDUSSCGKSA-N -1 3 354.388 0.406 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)nc1=N ZINC000584117989 491858985 /nfs/dbraw/zinc/85/89/85/491858985.db2.gz BYLSFHULDUVAHH-XQQFMLRXSA-N -1 3 374.445 0.456 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CC[C@H](C)S(=O)(=O)C2)oc1C ZINC000594848632 491866168 /nfs/dbraw/zinc/86/61/68/491866168.db2.gz GTNWTYQJEKNQMN-WPRPVWTQSA-N -1 3 365.429 0.619 10 0 FCAEHM COC(=O)C[C@H](C[N-]S(=O)(=O)c1cccnc1C(=O)OC)C1CC1 ZINC000594863107 491867870 /nfs/dbraw/zinc/86/78/70/491867870.db2.gz NPEUIDCGVONCOU-LLVKDONJSA-N -1 3 356.400 0.736 10 0 FCAEHM Cc1c(Br)cncc1C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000611957116 491885190 /nfs/dbraw/zinc/88/51/90/491885190.db2.gz UNMOOROSOJUIBK-JTQLQIEISA-N -1 3 353.176 0.529 10 0 FCAEHM O=C(c1c(C(F)(F)F)nc2n1CCCC2)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000611955871 491885380 /nfs/dbraw/zinc/88/53/80/491885380.db2.gz LXIYDJIUTPEOHG-MRVPVSSYSA-N -1 3 371.319 0.614 10 0 FCAEHM COC(=O)C1(CS(=O)(=O)[N-]CC(=O)N2CCc3ccccc3C2)CC1 ZINC000601331468 491905037 /nfs/dbraw/zinc/90/50/37/491905037.db2.gz BDTPITDTVMFCEO-UHFFFAOYSA-N -1 3 366.439 0.444 10 0 FCAEHM CCOC(=O)[C@]1([N-]S(=O)(=O)C[C@@H]2CNCCO2)CCc2ccccc21 ZINC000601339769 491905501 /nfs/dbraw/zinc/90/55/01/491905501.db2.gz GWGICDUFJDICAJ-YOEHRIQHSA-N -1 3 368.455 0.299 10 0 FCAEHM COC[C@](C)(CC(=O)OC)[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000601365041 491909209 /nfs/dbraw/zinc/90/92/09/491909209.db2.gz QFQHRRCLDYJQRS-NSHDSACASA-N -1 3 373.353 0.685 10 0 FCAEHM COCC[C@H]([N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C)C(=O)OC ZINC000601415167 491915509 /nfs/dbraw/zinc/91/55/09/491915509.db2.gz APMXIOYVVHTFAZ-QMMMGPOBSA-N -1 3 359.326 0.295 10 0 FCAEHM CNC(=O)[C@H](CCSC)[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000601417305 491916348 /nfs/dbraw/zinc/91/63/48/491916348.db2.gz OGKHRIBNKXZHJX-QMMMGPOBSA-N -1 3 374.410 0.585 10 0 FCAEHM CCS(=O)(=O)C1(C[N-]S(=O)(=O)c2ccc(C(=O)OC)s2)CC1 ZINC000595363569 491924136 /nfs/dbraw/zinc/92/41/36/491924136.db2.gz GSNIRMGEYHNMNT-UHFFFAOYSA-N -1 3 367.470 0.780 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2[C@@H]2CCN(CC(=O)OC(C)(C)C)C2=O)nc1=N ZINC000595470440 491933939 /nfs/dbraw/zinc/93/39/39/491933939.db2.gz NWVLDIYEGCQMTP-NWDGAFQWSA-N -1 3 364.450 0.307 10 0 FCAEHM COC(=O)CCN1CC[C@H](N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)C1=O ZINC000595877006 491958954 /nfs/dbraw/zinc/95/89/54/491958954.db2.gz GRONWBUODBXENM-PMPSAXMXSA-N -1 3 360.410 0.951 10 0 FCAEHM CO[C@@H](C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-])[C@H]1CCOC1 ZINC000613029497 491963506 /nfs/dbraw/zinc/96/35/06/491963506.db2.gz XPWLVBCZTUHDTE-XHDPSFHLSA-N -1 3 370.427 0.922 10 0 FCAEHM Cn1cc(C(=O)N2CCC(NC(=O)CC3CCCC3)CC2)c(=O)[n-]c1=O ZINC000595974392 491966944 /nfs/dbraw/zinc/96/69/44/491966944.db2.gz YVXNYHBDLZRXDC-UHFFFAOYSA-N -1 3 362.430 0.787 10 0 FCAEHM Cc1nc(NC(=O)Cc2ccc([O-])c(F)c2)c(C(=O)NCCO)n1C ZINC000613986207 492008702 /nfs/dbraw/zinc/00/87/02/492008702.db2.gz VJBCCTFZNVBGAX-UHFFFAOYSA-N -1 3 350.350 0.477 10 0 FCAEHM O=C(c1ccc2[nH]c(=O)n(C3CC3)c2c1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000614199802 492019433 /nfs/dbraw/zinc/01/94/33/492019433.db2.gz UZAISIJWAYJINF-SFHVURJKSA-N -1 3 369.381 0.891 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000603872059 492044187 /nfs/dbraw/zinc/04/41/87/492044187.db2.gz ITUXRBCWLIHAMM-SNVBAGLBSA-N -1 3 364.427 0.858 10 0 FCAEHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)[C@H]3CN(C)C(=O)N3)c2)[n-]1 ZINC000597583340 492049104 /nfs/dbraw/zinc/04/91/04/492049104.db2.gz UUGFTBMCXPIVMZ-GFCCVEGCSA-N -1 3 372.385 0.288 10 0 FCAEHM CCOC(=O)c1nc(-c2cccc(CNC(=O)[C@H]3CN(C)C(=O)N3)c2)n[n-]1 ZINC000597583340 492049107 /nfs/dbraw/zinc/04/91/07/492049107.db2.gz UUGFTBMCXPIVMZ-GFCCVEGCSA-N -1 3 372.385 0.288 10 0 FCAEHM C[C@H](NC(=O)c1nnn(C(C)(C)C)n1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614822210 492057761 /nfs/dbraw/zinc/05/77/61/492057761.db2.gz KRZCTGNBILVSFB-UWVGGRQHSA-N -1 3 361.406 0.922 10 0 FCAEHM CCOC(=O)C[C@@H](CO)NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000597677267 492058918 /nfs/dbraw/zinc/05/89/18/492058918.db2.gz GXZBDZSQOBCLCA-VIFPVBQESA-N -1 3 354.309 0.850 10 0 FCAEHM CCOC(=O)[C@H](CNC(=O)CC[C@H]1NC(=O)[N-]C1=O)Cc1ccccc1 ZINC000604471503 492061864 /nfs/dbraw/zinc/06/18/64/492061864.db2.gz ZWLPJZSMWMXCLR-UONOGXRCSA-N -1 3 361.398 0.513 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCC(c3nc(N)n[nH]3)CC2)cc1 ZINC000614989962 492067654 /nfs/dbraw/zinc/06/76/54/492067654.db2.gz QTRGKDZQTOSAPW-UHFFFAOYSA-N -1 3 364.431 0.778 10 0 FCAEHM CCOC(=O)[C@@H](NC(=O)CC[C@H]1NC(=O)[N-]C1=O)C1CCCCCC1 ZINC000597824526 492069008 /nfs/dbraw/zinc/06/90/08/492069008.db2.gz NXBCSMPBIXLIRF-OCCSQVGLSA-N -1 3 353.419 0.993 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)Cc3nnn(C(C)(C)C)n3)cc2n(C)c1=O ZINC000615064324 492071153 /nfs/dbraw/zinc/07/11/53/492071153.db2.gz WKTSYNIXZWIEAH-UHFFFAOYSA-N -1 3 359.390 0.505 10 0 FCAEHM Cc1nc(C(C)C)oc1CNC(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000615156235 492076584 /nfs/dbraw/zinc/07/65/84/492076584.db2.gz TZDYBHDGHPZNER-UHFFFAOYSA-N -1 3 369.447 0.743 10 0 FCAEHM Cc1cc(CS(=O)(=O)[N-]Cc2cc(S(N)(=O)=O)ccc2F)no1 ZINC000605004225 492080094 /nfs/dbraw/zinc/08/00/94/492080094.db2.gz AOTAYVQIGOKTQZ-UHFFFAOYSA-N -1 3 363.392 0.389 10 0 FCAEHM CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000615266248 492082795 /nfs/dbraw/zinc/08/27/95/492082795.db2.gz RZYLELLBSQYYGC-OLZOCXBDSA-N -1 3 359.386 0.371 10 0 FCAEHM COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)CC[C@H]1NC(=O)[N-]C1=O)CCC2 ZINC000598104059 492083292 /nfs/dbraw/zinc/08/32/92/492083292.db2.gz GUXMCDLQJUBSQE-UKRRQHHQSA-N -1 3 373.409 0.998 10 0 FCAEHM CCC[C@@H](C(=O)OCC)n1ccc(NC(=O)CC[C@@H]2NC(=O)[N-]C2=O)n1 ZINC000598111452 492083738 /nfs/dbraw/zinc/08/37/38/492083738.db2.gz HQQQCNPQKBRLTK-QWRGUYRKSA-N -1 3 365.390 0.714 10 0 FCAEHM COC(=O)C[C@@H](CNC(=O)C[N-]S(=O)(=O)c1cccs1)C1CC1 ZINC000598266383 492091897 /nfs/dbraw/zinc/09/18/97/492091897.db2.gz WLVLIEGXLWLPLD-NSHDSACASA-N -1 3 360.457 0.732 10 0 FCAEHM COCCN(CCCOc1ccc(F)cc1)C(=O)CN1CC(=O)[N-]C1=O ZINC000605511960 492096615 /nfs/dbraw/zinc/09/66/15/492096615.db2.gz GBGJSNZRCUVOPA-UHFFFAOYSA-N -1 3 367.377 0.621 10 0 FCAEHM CCOC(=O)C12CC(C1)CN2C(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000598449164 492098897 /nfs/dbraw/zinc/09/88/97/492098897.db2.gz RTVHYNKJBYHRKL-RWWNRMGGSA-N -1 3 372.468 0.969 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)[C@H]2CCCN2c2nccs2)[n-]1 ZINC000615919614 492107703 /nfs/dbraw/zinc/10/77/03/492107703.db2.gz HNFSOKFLRCYNER-SECBINFHSA-N -1 3 350.404 0.723 10 0 FCAEHM C[C@@H]1CCCN(Cc2cc(=O)n3nc(N)[n-]c3n2)[C@@H]1C(=O)OC(C)(C)C ZINC000598623646 492109478 /nfs/dbraw/zinc/10/94/78/492109478.db2.gz ZSBYSUXQJQUICP-MFKMUULPSA-N -1 3 362.434 0.772 10 0 FCAEHM COC(=O)c1cccc2c1CN(Cc1cc(=O)n3nc(N)[n-]c3n1)CC2 ZINC000598625544 492109507 /nfs/dbraw/zinc/10/95/07/492109507.db2.gz PUXFHLBHPRTFPX-UHFFFAOYSA-N -1 3 354.370 0.175 10 0 FCAEHM C[C@H]1CCN(Cc2cc(=O)n3nc(N)[n-]c3n2)C[C@H]1C(=O)OC(C)(C)C ZINC000598624951 492109877 /nfs/dbraw/zinc/10/98/77/492109877.db2.gz MLRDUBBUEAONFR-CMPLNLGQSA-N -1 3 362.434 0.630 10 0 FCAEHM CC(C)(C)NS(=O)(=O)CC(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000598896772 492120616 /nfs/dbraw/zinc/12/06/16/492120616.db2.gz VDMJWAHVIIHJJX-UHFFFAOYSA-N -1 3 371.459 0.346 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H]2CC(=O)N(C(C)C)C2)on1 ZINC000599227021 492145659 /nfs/dbraw/zinc/14/56/59/492145659.db2.gz NVUPSSXHURAFQW-SNVBAGLBSA-N -1 3 359.404 0.280 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]C[C@@](C)(O)CCOC)on1 ZINC000599240063 492147293 /nfs/dbraw/zinc/14/72/93/492147293.db2.gz FZKJEXOQPYKWLJ-ZDUSSCGKSA-N -1 3 350.393 0.058 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H]2CN(C3CC3)C[C@H]2C)on1 ZINC000599259799 492150134 /nfs/dbraw/zinc/15/01/34/492150134.db2.gz XBHXWWORTUISJI-QMTHXVAHSA-N -1 3 357.432 0.753 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]CC2(CO)CCOCC2)on1 ZINC000599262274 492150744 /nfs/dbraw/zinc/15/07/44/492150744.db2.gz BHZPTEVSXPBXFI-UHFFFAOYSA-N -1 3 362.404 0.060 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H]2c3ccccc3C[C@H]2O)on1 ZINC000599265889 492151770 /nfs/dbraw/zinc/15/17/70/492151770.db2.gz ZUCLGNRAPZYEQP-HUUCEWRRSA-N -1 3 366.395 0.929 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]Cc2ncnn2C(C)(C)C)on1 ZINC000599300292 492156977 /nfs/dbraw/zinc/15/69/77/492156977.db2.gz WEFMKRUCSUWHRZ-UHFFFAOYSA-N -1 3 371.419 0.817 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)N2CC[C@H](Cn3ccnn3)C2)c([O-])c1 ZINC000617258527 492161208 /nfs/dbraw/zinc/16/12/08/492161208.db2.gz KOLNIOCVKJHGDX-AWEZNQCLSA-N -1 3 357.414 0.961 10 0 FCAEHM Cn1c(NC(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)nnc1C1CC1 ZINC000617286176 492162870 /nfs/dbraw/zinc/16/28/70/492162870.db2.gz CEGVPRDZAWFGNM-QGZVFWFLSA-N -1 3 354.370 0.999 10 0 FCAEHM Cn1c(NC(=O)c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)nnc1C1CC1 ZINC000617287693 492163442 /nfs/dbraw/zinc/16/34/42/492163442.db2.gz QRUARKZXOGAPCX-QGZVFWFLSA-N -1 3 354.370 0.999 10 0 FCAEHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](O)[C@H]1CCCO1 ZINC000599392354 492167203 /nfs/dbraw/zinc/16/72/03/492167203.db2.gz RKFCYTGRZFJCGO-VXGBXAGGSA-N -1 3 363.819 0.945 10 0 FCAEHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@@H](O)[C@H]2CCCO2)c1 ZINC000599392466 492167304 /nfs/dbraw/zinc/16/73/04/492167304.db2.gz SVLLPZJYOOQBEP-ZIAGYGMSSA-N -1 3 361.391 0.821 10 0 FCAEHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]C[C@H](O)[C@H]1CCCO1 ZINC000599392292 492167503 /nfs/dbraw/zinc/16/75/03/492167503.db2.gz PWLITYYFKPZSRY-WDEREUQCSA-N -1 3 363.819 0.945 10 0 FCAEHM C[C@@H]1C[C@H](NC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)c2ncnn21 ZINC000617428723 492168317 /nfs/dbraw/zinc/16/83/17/492168317.db2.gz WKDITZOASPODFQ-MFKMUULPSA-N -1 3 354.370 0.906 10 0 FCAEHM COC(=O)[C@@H](Cc1cccc(OC)c1)[N-]S(=O)(=O)c1cn(C)cn1 ZINC000599405536 492169072 /nfs/dbraw/zinc/16/90/72/492169072.db2.gz YIPHOUJBEVFRII-CYBMUJFWSA-N -1 3 353.400 0.491 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CO)[C@H]2CCC[C@H](OC)C2)c(C)o1 ZINC000617532242 492174649 /nfs/dbraw/zinc/17/46/49/492174649.db2.gz HFZLDLIZGQEXEF-SGMGOOAPSA-N -1 3 374.459 0.792 10 0 FCAEHM COC(=O)c1nscc1S(=O)(=O)[N-][C@@H]1CCN(C2CCC2)C1=O ZINC000599524765 492183546 /nfs/dbraw/zinc/18/35/46/492183546.db2.gz ATWUQIVQFDJVBD-SECBINFHSA-N -1 3 359.429 0.361 10 0 FCAEHM CO[C@]1(CO)CCCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000617793359 492191937 /nfs/dbraw/zinc/19/19/37/492191937.db2.gz XTBYXLOUCSJWRQ-BLLLJJGKSA-N -1 3 374.434 0.492 10 0 FCAEHM CO[C@]1(CO)CCCN(C(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000617795042 492192223 /nfs/dbraw/zinc/19/22/23/492192223.db2.gz QYRAJFQOLPUZJW-LJQANCHMSA-N -1 3 373.409 0.258 10 0 FCAEHM CO[C@]1(CO)CCCN(C(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)C1 ZINC000617800741 492192620 /nfs/dbraw/zinc/19/26/20/492192620.db2.gz ZBFNHHDOSOVSFU-ZWKOTPCHSA-N -1 3 361.398 0.355 10 0 FCAEHM CO[C@@]1(CO)CCCN(C(=O)c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)C1 ZINC000617799292 492192665 /nfs/dbraw/zinc/19/26/65/492192665.db2.gz QGJBNLGWOMZVJS-MSOLQXFVSA-N -1 3 361.398 0.355 10 0 FCAEHM C[C@@]1(c2ccc(C(=O)N3CC[C@@H](O)C(F)(F)C3)cc2)NC(=O)[N-]C1=O ZINC000617810639 492192983 /nfs/dbraw/zinc/19/29/83/492192983.db2.gz LXJZIQILEKXYDI-ABAIWWIYSA-N -1 3 353.325 0.583 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CC[C@@H](O)C(F)(F)C1 ZINC000617813123 492193339 /nfs/dbraw/zinc/19/33/39/492193339.db2.gz BEZDWMWSRDUXKJ-SSDOTTSWSA-N -1 3 374.818 0.908 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC3(CCC3)OC[C@@H]2C)cn1C ZINC000617947685 492207152 /nfs/dbraw/zinc/20/71/52/492207152.db2.gz HRKXOQSWVGBXIM-LBPRGKRZSA-N -1 3 370.475 0.567 10 0 FCAEHM CN(C)c1nc(C(=O)N2CCO[C@H](C(=O)OC(C)(C)C)C2)cc(=O)[n-]1 ZINC000618001766 492208564 /nfs/dbraw/zinc/20/85/64/492208564.db2.gz BQIHBVHCKJPDTM-NSHDSACASA-N -1 3 352.391 0.431 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000618075016 492210080 /nfs/dbraw/zinc/21/00/80/492210080.db2.gz KMPJJNUMRJBXFN-QMMMGPOBSA-N -1 3 357.292 0.711 10 0 FCAEHM CCOC(=O)[C@@H](Cc1ccncc1)NC(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000618244480 492219124 /nfs/dbraw/zinc/21/91/24/492219124.db2.gz ZTEHGZBMWWYYQO-CYBMUJFWSA-N -1 3 359.386 0.547 10 0 FCAEHM C[C@@H]1CC[C@@H](NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)CS1(=O)=O ZINC000618311563 492222821 /nfs/dbraw/zinc/22/28/21/492222821.db2.gz BEVORKPYMBPQEM-ZWNOBZJWSA-N -1 3 360.457 0.754 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CC[C@H](C)S(=O)(=O)C2)c(C)o1 ZINC000618322659 492223814 /nfs/dbraw/zinc/22/38/14/492223814.db2.gz ZLXDHNTUBYFUNO-WPRPVWTQSA-N -1 3 364.445 0.192 10 0 FCAEHM COC(=O)[C@](C)(NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F)C1CC1 ZINC000609887547 492226141 /nfs/dbraw/zinc/22/61/41/492226141.db2.gz JJBBYYFFVLKIMX-MGPLVRAMSA-N -1 3 372.418 0.950 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(C(=O)N[C@H]3CCCN(C)C3)CC2)[n-]1 ZINC000618367320 492226500 /nfs/dbraw/zinc/22/65/00/492226500.db2.gz MQAAEHYNNXVYIA-ZDUSSCGKSA-N -1 3 364.450 0.965 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(C(=O)N[C@H]3CCCN(C)C3)CC2)n[n-]1 ZINC000618367320 492226501 /nfs/dbraw/zinc/22/65/01/492226501.db2.gz MQAAEHYNNXVYIA-ZDUSSCGKSA-N -1 3 364.450 0.965 10 0 FCAEHM CCOC(=O)c1n[n-]c(C2CCN(C(=O)N[C@H]3CCCN(C)C3)CC2)n1 ZINC000618367320 492226502 /nfs/dbraw/zinc/22/65/02/492226502.db2.gz MQAAEHYNNXVYIA-ZDUSSCGKSA-N -1 3 364.450 0.965 10 0 FCAEHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@@H](C)Cn2cncn2)s1 ZINC000618539811 492230749 /nfs/dbraw/zinc/23/07/49/492230749.db2.gz POWHADGGBITTFM-UWVGGRQHSA-N -1 3 357.461 0.904 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)NC[C@@H]2CCC[C@H](C)O2)cn1C ZINC000618576661 492231964 /nfs/dbraw/zinc/23/19/64/492231964.db2.gz PMTIYICSQHYGLR-AAEUAGOBSA-N -1 3 358.464 0.471 10 0 FCAEHM COC(=O)c1ccsc1N1CC[C@H]([N-]S(=O)(=O)N(C)C2CC2)C1=O ZINC000610471099 492247756 /nfs/dbraw/zinc/24/77/56/492247756.db2.gz VAKHBXOWCVQSTA-NSHDSACASA-N -1 3 373.456 0.569 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2c(C(=O)N[C@@H]3C[C@@H](O)C34CCC4)cc(C3CC3)nc21 ZINC000619089302 492250055 /nfs/dbraw/zinc/25/00/55/492250055.db2.gz LYRMHXCGBLULRI-CHWSQXEVSA-N -1 3 370.409 0.945 10 0 FCAEHM Cc1cncc(CCNC(=O)CC[N-]S(=O)(=O)c2ccccc2F)n1 ZINC000619210780 492253360 /nfs/dbraw/zinc/25/33/60/492253360.db2.gz MXTVPPYXRGYUEH-UHFFFAOYSA-N -1 3 366.418 0.951 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CC[C@H]2COC[C@@H]2C1 ZINC000620144985 492296222 /nfs/dbraw/zinc/29/62/22/492296222.db2.gz PAUUERRBQAILQJ-AVGNSLFASA-N -1 3 356.419 0.987 10 0 FCAEHM C[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccco2)C[C@H]1C(=O)[O-] ZINC000647504237 492299244 /nfs/dbraw/zinc/29/92/44/492299244.db2.gz LSMGZQVRZDCSOV-DZGCQCFKSA-N -1 3 365.430 0.739 10 0 FCAEHM CC(C)NC(=O)[C@@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2cccs2)C1 ZINC000620404778 492307279 /nfs/dbraw/zinc/30/72/79/492307279.db2.gz CVDVDCYBNZBBMJ-GFCCVEGCSA-N -1 3 373.500 0.790 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CCC(CCF)CC2)cn1C ZINC000633959055 492311066 /nfs/dbraw/zinc/31/10/66/492311066.db2.gz WWTHQXFZINVZDO-UHFFFAOYSA-N -1 3 360.455 0.995 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N[C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)c1 ZINC000620536399 492317675 /nfs/dbraw/zinc/31/76/75/492317675.db2.gz IENJLLFCCAJXEL-APHBMKBZSA-N -1 3 364.402 0.292 10 0 FCAEHM CN(C(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)[C@@H]1CCCCN(C)C1=O ZINC000634144147 492321706 /nfs/dbraw/zinc/32/17/06/492321706.db2.gz NFNIEDBWJHCSJP-KUHUBIRLSA-N -1 3 372.425 0.824 10 0 FCAEHM CN(C(=O)CC[N-]S(=O)(=O)c1cccs1)[C@H]1CCCCN(C)C1=O ZINC000634146271 492321991 /nfs/dbraw/zinc/32/19/91/492321991.db2.gz IWXXIZBBKJNDIU-LBPRGKRZSA-N -1 3 373.500 0.886 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CCO[C@@H](C(F)F)CC1 ZINC000634154816 492322640 /nfs/dbraw/zinc/32/26/40/492322640.db2.gz CAYJYDUPIFIYFO-SECBINFHSA-N -1 3 354.400 0.909 10 0 FCAEHM C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000647581964 492323774 /nfs/dbraw/zinc/32/37/74/492323774.db2.gz VUCWVZZGOFWRIY-ZIAGYGMSSA-N -1 3 353.463 0.936 10 0 FCAEHM CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000647588359 492328423 /nfs/dbraw/zinc/32/84/23/492328423.db2.gz PSEJEHWOATZMGQ-CYBMUJFWSA-N -1 3 353.463 0.936 10 0 FCAEHM C[C@@]1(C(F)F)CN(C(=O)C[N-]S(=O)(=O)c2cccs2)CCO1 ZINC000621198104 492361207 /nfs/dbraw/zinc/36/12/07/492361207.db2.gz RGULIUJDXSTUJQ-LBPRGKRZSA-N -1 3 354.400 0.909 10 0 FCAEHM NS(=O)(=O)c1cc2c(s1)CCN(C(=O)Cc1cncc([O-])c1)C2 ZINC000620734988 492331549 /nfs/dbraw/zinc/33/15/49/492331549.db2.gz NEPMFSSMUAWWLQ-UHFFFAOYSA-N -1 3 353.425 0.624 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCc1cccc(COC[C@H]2CCCO2)c1 ZINC000620760860 492333561 /nfs/dbraw/zinc/33/35/61/492333561.db2.gz CUVQXVYHTZFOCI-CABCVRRESA-N -1 3 361.398 0.597 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NCc1cccc(COC[C@H]2CCCO2)c1 ZINC000620762363 492333574 /nfs/dbraw/zinc/33/35/74/492333574.db2.gz ABQOVKSEVWQOJK-OAHLLOKOSA-N -1 3 361.398 0.550 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CC2(C1)CCOCC2 ZINC000647616426 492334716 /nfs/dbraw/zinc/33/47/16/492334716.db2.gz QAFKUFAQEMTPIH-UHFFFAOYSA-N -1 3 358.192 0.350 10 0 FCAEHM C[C@]1(c2ccc(C(=O)N3CC[C@H](N4CCC4)[C@@H](F)C3)cc2)NC(=O)[N-]C1=O ZINC000647628060 492338709 /nfs/dbraw/zinc/33/87/09/492338709.db2.gz FJDZWBCLTTXLJK-YZVOILCLSA-N -1 3 374.416 1.000 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)CNC(=O)c2ccc(F)c(F)c2)nc1=N ZINC000647665094 492341945 /nfs/dbraw/zinc/34/19/45/492341945.db2.gz LGBXENZJRFPLTR-GFCCVEGCSA-N -1 3 364.356 0.599 10 0 FCAEHM CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1cnc([O-])n(C)c1=O ZINC000620909801 492343863 /nfs/dbraw/zinc/34/38/63/492343863.db2.gz KPOZMEXYUBHUBA-GFCCVEGCSA-N -1 3 350.419 0.201 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](C)O[C@](C)(C(F)F)C2)cn1 ZINC000621122880 492357406 /nfs/dbraw/zinc/35/74/06/492357406.db2.gz GPOYMFSSQAXVGV-XPTSAGLGSA-N -1 3 363.386 0.874 10 0 FCAEHM Cc1nc(C(C)C)oc1CNC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000647808190 492363519 /nfs/dbraw/zinc/36/35/19/492363519.db2.gz BBQHDWSOFZPKBX-UHFFFAOYSA-N -1 3 355.420 0.435 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)N2CC(CN3CCOCC3)C2)c([O-])c1 ZINC000647806656 492363627 /nfs/dbraw/zinc/36/36/27/492363627.db2.gz QGTCZVYHELITRK-UHFFFAOYSA-N -1 3 361.442 0.611 10 0 FCAEHM CCc1cnc(N2CCN(Cc3cc(=O)n4nc(N)[n-]c4n3)CC2)s1 ZINC000621260097 492366847 /nfs/dbraw/zinc/36/68/47/492366847.db2.gz SMYAQIDXPFUMRS-UHFFFAOYSA-N -1 3 360.447 0.171 10 0 FCAEHM C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-][C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC000621305597 492372996 /nfs/dbraw/zinc/37/29/96/492372996.db2.gz CBSCOSIQLXTLBN-GXFFZTMASA-N -1 3 360.457 0.052 10 0 FCAEHM CCn1nnc(C)c1CNC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000627872192 492408946 /nfs/dbraw/zinc/40/89/46/492408946.db2.gz VPAYWKZTHGQQLG-QGZVFWFLSA-N -1 3 356.386 0.591 10 0 FCAEHM CO[C@](C)(CO)CNC(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000655207137 492413367 /nfs/dbraw/zinc/41/33/67/492413367.db2.gz XJPRZVAMNGEPLT-AWEZNQCLSA-N -1 3 366.386 0.147 10 0 FCAEHM COCCN(C)CCOc1cccc(CNC(=O)N2CC(C(=O)[O-])C2)c1 ZINC000621829885 492419715 /nfs/dbraw/zinc/41/97/15/492419715.db2.gz OSQNZJMPQNGFPG-UHFFFAOYSA-N -1 3 365.430 0.870 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)c(C)o1 ZINC000655244236 492419792 /nfs/dbraw/zinc/41/97/92/492419792.db2.gz OWESIPBCAWGPNB-UTUOFQBUSA-N -1 3 373.475 0.724 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)NC1CC(N2CCOCC2)C1 ZINC000627929173 492422032 /nfs/dbraw/zinc/42/20/32/492422032.db2.gz ZWLQDIMZHDJDCS-UHFFFAOYSA-N -1 3 373.500 0.396 10 0 FCAEHM COC[C@H](CC(C)(C)C)NC(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000655304157 492433444 /nfs/dbraw/zinc/43/34/44/492433444.db2.gz VSTVBHMHQDKUAD-LBPRGKRZSA-N -1 3 360.480 0.574 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)CC2CCN(S(C)(=O)=O)CC2)n[n-]1 ZINC000655393452 492440298 /nfs/dbraw/zinc/44/02/98/492440298.db2.gz VJPPEOBWZYHZDK-UHFFFAOYSA-N -1 3 366.447 0.810 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)CC2CCN(S(C)(=O)=O)CC2)[n-]n1 ZINC000655393452 492440300 /nfs/dbraw/zinc/44/03/00/492440300.db2.gz VJPPEOBWZYHZDK-UHFFFAOYSA-N -1 3 366.447 0.810 10 0 FCAEHM CN1CC[C@H](C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)S1(=O)=O ZINC000648724149 492448117 /nfs/dbraw/zinc/44/81/17/492448117.db2.gz GWDFDCSZOXHZBU-LLVKDONJSA-N -1 3 365.408 0.170 10 0 FCAEHM O=C(NC[C@@]1(O)CCS(=O)(=O)C1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622075841 492451436 /nfs/dbraw/zinc/45/14/36/492451436.db2.gz MOZDFEJGBWSPRA-LBPRGKRZSA-N -1 3 353.318 0.690 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](O)C[C@H]2[C@H]2CCCOC2)c(C)o1 ZINC000622080183 492451634 /nfs/dbraw/zinc/45/16/34/492451634.db2.gz HDNXSOQEUBUNHH-SCRDCRAPSA-N -1 3 372.443 0.498 10 0 FCAEHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CC(C2CS(=O)(=O)C2)C1 ZINC000622087810 492453307 /nfs/dbraw/zinc/45/33/07/492453307.db2.gz VRDGKVDMEFMOTC-UHFFFAOYSA-N -1 3 368.361 0.923 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)NC[C@H]2C[C@@H](OC)C2)ccc1F ZINC000628075306 492456727 /nfs/dbraw/zinc/45/67/27/492456727.db2.gz HAZFIORBJRTLEQ-JGZJWPJOSA-N -1 3 373.406 0.214 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N3CC4(CC4(F)F)C3)cnc21 ZINC000655618017 492465229 /nfs/dbraw/zinc/46/52/29/492465229.db2.gz JZJIKNVPFADOMK-UHFFFAOYSA-N -1 3 358.326 0.064 10 0 FCAEHM COc1cc(CCCNC(=O)CN2CC(=O)[N-]C2=O)cc(OC)c1O ZINC000622268069 492469515 /nfs/dbraw/zinc/46/95/15/492469515.db2.gz AZHHVDUQFXXXLX-UHFFFAOYSA-N -1 3 351.359 0.010 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H]2Cc3ccccc3CO2)cn1 ZINC000628361022 492495198 /nfs/dbraw/zinc/49/51/98/492495198.db2.gz PTVLJEIGSWRYNI-HNNXBMFYSA-N -1 3 361.423 0.861 10 0 FCAEHM CC(C)(CNC(=O)c1ccc([N-]S(C)(=O)=O)cc1)[C@@]1(O)CCOC1 ZINC000649096130 492499103 /nfs/dbraw/zinc/49/91/03/492499103.db2.gz JLVJFPUXLDABNI-MRXNPFEDSA-N -1 3 356.444 0.966 10 0 FCAEHM C[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)N(C)C1CC1 ZINC000655983305 492503535 /nfs/dbraw/zinc/50/35/35/492503535.db2.gz ATVBNEBPHLDPHA-MHDGFBEUSA-N -1 3 353.463 0.837 10 0 FCAEHM CCn1c(=O)[n-]c(=O)c2c(C(=O)N3CN(C)C(=O)[C@H]3C)cc(C3CC3)nc21 ZINC000649160064 492506773 /nfs/dbraw/zinc/50/67/73/492506773.db2.gz BMKSTCQMFJFYRD-SECBINFHSA-N -1 3 371.397 0.655 10 0 FCAEHM COc1cc2[n-]cc(C(=O)NC[C@@H](O)[C@@H]3CCCO3)c(=O)c2c(OC)c1 ZINC000628600969 492529122 /nfs/dbraw/zinc/52/91/22/492529122.db2.gz HUBRVNAYWPSNRI-KGLIPLIRSA-N -1 3 362.382 0.815 10 0 FCAEHM COc1cc2ncc(C(=O)NC[C@@H](O)[C@@H]3CCCO3)c([O-])c2c(OC)c1 ZINC000628600969 492529124 /nfs/dbraw/zinc/52/91/24/492529124.db2.gz HUBRVNAYWPSNRI-KGLIPLIRSA-N -1 3 362.382 0.815 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CC[C@H]3CC[C@@H](C2)S3)cn1C ZINC000628654895 492532296 /nfs/dbraw/zinc/53/22/96/492532296.db2.gz ZXPDSGDYPCFZOO-NEPJUHHUSA-N -1 3 358.489 0.503 10 0 FCAEHM NC(=O)[C@H]1C[C@H](NC(=O)CC[N-]S(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000628781866 492546523 /nfs/dbraw/zinc/54/65/23/492546523.db2.gz BEOMZURHCDNMPD-KYZUINATSA-N -1 3 361.370 0.013 10 0 FCAEHM CS(=O)(=O)NC1CN(C(=O)Cc2ccc(Br)cc2[O-])C1 ZINC000628798381 492548725 /nfs/dbraw/zinc/54/87/25/492548725.db2.gz VWRQBFIBJCFEOQ-UHFFFAOYSA-N -1 3 363.233 0.457 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000629164188 492580837 /nfs/dbraw/zinc/58/08/37/492580837.db2.gz HWKIJDPOCVXRDX-SNVBAGLBSA-N -1 3 354.769 0.726 10 0 FCAEHM O=S(=O)([N-]CC(F)F)c1cccc(S(=O)(=O)N[C@H]2CCOC2)c1 ZINC000656372462 492615541 /nfs/dbraw/zinc/61/55/41/492615541.db2.gz OXUKNEFFJCNIJR-VIFPVBQESA-N -1 3 370.399 0.297 10 0 FCAEHM COC1(CS(=O)(=O)[N-]c2cccc(-c3nnnn3C)c2)CCOCC1 ZINC000650158376 492617667 /nfs/dbraw/zinc/61/76/67/492617667.db2.gz IKIDZCUTDVMPKI-UHFFFAOYSA-N -1 3 367.431 0.814 10 0 FCAEHM CC1(F)CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2cccnc2)C1 ZINC000656391528 492621198 /nfs/dbraw/zinc/62/11/98/492621198.db2.gz LPUSJPLQCOQPKY-UHFFFAOYSA-N -1 3 365.452 0.977 10 0 FCAEHM CN(C)S(=O)(=O)N1CC(NC(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000629533867 492640744 /nfs/dbraw/zinc/64/07/44/492640744.db2.gz ZRWIIENZICVYHG-UHFFFAOYSA-N -1 3 353.444 0.491 10 0 FCAEHM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C[NH2+]1 ZINC000624406863 492646234 /nfs/dbraw/zinc/64/62/34/492646234.db2.gz NQXBSULIIZRLIG-KOLCDFICSA-N -1 3 365.452 0.616 10 0 FCAEHM CO[C@@H](CS(=O)(=O)N=c1nc(-c2cccs2)[n-]n1C)[C@H]1CCOC1 ZINC000656734944 492648286 /nfs/dbraw/zinc/64/82/86/492648286.db2.gz YMUOQSXLNUMYKA-QWRGUYRKSA-N -1 3 372.472 0.759 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]CC(=O)N1CCc2ccccc21)[C@@H]1CCOC1 ZINC000656892734 492661783 /nfs/dbraw/zinc/66/17/83/492661783.db2.gz SORBZQURSRZUAH-ZBFHGGJFSA-N -1 3 368.455 0.547 10 0 FCAEHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)C[C@H](OC)[C@H]2CCOC2)[C@]12CCCO2 ZINC000656959675 492679311 /nfs/dbraw/zinc/67/93/11/492679311.db2.gz VSOLCUYODDOIHR-RFBLXINOSA-N -1 3 363.476 0.684 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@H](C(N)=O)c1ccc(F)cc1)[C@@H]1CCOC1 ZINC000656963419 492680673 /nfs/dbraw/zinc/68/06/73/492680673.db2.gz OBBIEOIFSKNVSR-BNOWGMLFSA-N -1 3 360.407 0.323 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@H](C(N)=O)[C@@H](C)c1ccccc1)[C@H]1CCOC1 ZINC000656993841 492689960 /nfs/dbraw/zinc/68/99/60/492689960.db2.gz IUXGRWPKCYDLRT-HNKHHVNMSA-N -1 3 370.471 0.615 10 0 FCAEHM COC[C@@]1(C)CN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)CCO1 ZINC000629901564 492698407 /nfs/dbraw/zinc/69/84/07/492698407.db2.gz AEGIDPSYSBHBGZ-BLLLJJGKSA-N -1 3 374.434 0.756 10 0 FCAEHM COC[C@@]1(C)CN(C(=O)c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)CCO1 ZINC000629903592 492699325 /nfs/dbraw/zinc/69/93/25/492699325.db2.gz VEWVTAMNBAKVET-QZTJIDSGSA-N -1 3 361.398 0.619 10 0 FCAEHM CN(CCc1ccccn1)C(=O)C[N-]S(=O)(=O)[C@H]1COC(C)(C)C1 ZINC000624948226 492701333 /nfs/dbraw/zinc/70/13/33/492701333.db2.gz CEFWTRLYPQSSAI-CQSZACIVSA-N -1 3 355.460 0.569 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCO[C@](C)(C2CC2)C1 ZINC000657063640 492706707 /nfs/dbraw/zinc/70/67/07/492706707.db2.gz LLHGYWZIRYJURQ-HNNXBMFYSA-N -1 3 374.484 0.784 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)N[C@@H]1CCN(C2CCC2)C1=O ZINC000629930616 492707037 /nfs/dbraw/zinc/70/70/37/492707037.db2.gz DWKJOSYSJMUUBI-CYBMUJFWSA-N -1 3 369.418 0.374 10 0 FCAEHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)c2ncnn21 ZINC000657065005 492707346 /nfs/dbraw/zinc/70/73/46/492707346.db2.gz XDXDPOYXEZFABU-CABZTGNLSA-N -1 3 356.429 0.666 10 0 FCAEHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)c2ncnn21 ZINC000657068596 492708063 /nfs/dbraw/zinc/70/80/63/492708063.db2.gz QIKKSCTXTUKDET-KWQFWETISA-N -1 3 374.419 0.805 10 0 FCAEHM NC(=O)c1coc(C[N-]S(=O)(=O)CCCOCc2ccccc2)n1 ZINC000657070112 492709083 /nfs/dbraw/zinc/70/90/83/492709083.db2.gz BLTKMGXXNOEOTQ-UHFFFAOYSA-N -1 3 353.400 0.800 10 0 FCAEHM O=S(=O)(C[C@@H]1CCCCC1(F)F)[N-]C[C@@]1(OCCO)CCOC1 ZINC000657086722 492712695 /nfs/dbraw/zinc/71/26/95/492712695.db2.gz MUWFTPAUORLCKI-STQMWFEESA-N -1 3 357.419 0.899 10 0 FCAEHM C[C@@H]1C[C@H]1N1C[C@H]([N-]S(=O)(=O)c2cnnn2-c2ccccc2)CC1=O ZINC000625029210 492713030 /nfs/dbraw/zinc/71/30/30/492713030.db2.gz ZYGBVHIUELUKQF-YRGRVCCFSA-N -1 3 361.427 0.555 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-]CC(C)(C)S(C)(=O)=O)CCOCC1 ZINC000625042660 492714501 /nfs/dbraw/zinc/71/45/01/492714501.db2.gz DLFRFQRCJVNWND-UHFFFAOYSA-N -1 3 357.494 0.315 10 0 FCAEHM CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]C[C@@H](C)S(C)(=O)=O ZINC000625087388 492722256 /nfs/dbraw/zinc/72/22/56/492722256.db2.gz VKLCWNOWPMLEGA-BXUZGUMPSA-N -1 3 367.464 0.736 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000657114894 492723960 /nfs/dbraw/zinc/72/39/60/492723960.db2.gz GDDUZLHATORHHI-GHMZBOCLSA-N -1 3 360.457 0.440 10 0 FCAEHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]CCO[C@@H]2CC2(F)F)cn1 ZINC000657119139 492724743 /nfs/dbraw/zinc/72/47/43/492724743.db2.gz NRVUHERMYOIMJR-SECBINFHSA-N -1 3 356.372 0.188 10 0 FCAEHM Cn1ccnc1CN1CCC[C@H]([N-]S(=O)(=O)[C@H]2COC(C)(C)C2)C1=O ZINC000625120750 492726727 /nfs/dbraw/zinc/72/67/27/492726727.db2.gz HBQMZSYUPWWUQG-OLZOCXBDSA-N -1 3 370.475 0.398 10 0 FCAEHM CNC(=O)c1cccc(CCC(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)c1 ZINC000630228132 492731167 /nfs/dbraw/zinc/73/11/67/492731167.db2.gz UPFOHKMNEQZIKZ-UHFFFAOYSA-N -1 3 361.442 0.986 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]CC(=O)Nc1ccn(C)n1)c1ccc(F)cc1 ZINC000625151558 492731432 /nfs/dbraw/zinc/73/14/32/492731432.db2.gz KOPIWHXRHUXPNI-CYBMUJFWSA-N -1 3 370.406 0.805 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-][C@@]2(CCOC)CCOC2)CCOCC1 ZINC000625158459 492732241 /nfs/dbraw/zinc/73/22/41/492732241.db2.gz ITAPPFWQCQNXBS-AWEZNQCLSA-N -1 3 351.465 0.687 10 0 FCAEHM CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]C[C@]1(O)CCO[C@H]1C ZINC000625165668 492732836 /nfs/dbraw/zinc/73/28/36/492732836.db2.gz OYOQEWLGBXNGTP-APHBMKBZSA-N -1 3 361.435 0.843 10 0 FCAEHM CCO[C@H](CS(=O)(=O)N1CCC[C@@H]1C[C@]1(C)NC(=O)[N-]C1=O)C1CC1 ZINC000625213402 492740056 /nfs/dbraw/zinc/74/00/56/492740056.db2.gz TYXHBPMKXVRILR-IOASZLSFSA-N -1 3 373.475 0.584 10 0 FCAEHM CCO[C@@H](CS(=O)(=O)[N-]C[C@@H](N1CCOCC1)C(F)(F)F)C1CC1 ZINC000625215098 492740123 /nfs/dbraw/zinc/74/01/23/492740123.db2.gz QXXLPTVGNMIPEA-QWHCGFSZSA-N -1 3 374.425 0.984 10 0 FCAEHM CC1(C)C[C@H](S(=O)(=O)[N-]C[C@H](N2CCOCC2)C(F)(F)F)CO1 ZINC000625215563 492740257 /nfs/dbraw/zinc/74/02/57/492740257.db2.gz XYAYOTSATISQJR-QWRGUYRKSA-N -1 3 360.398 0.736 10 0 FCAEHM Cc1cncc(CC[N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)n1 ZINC000657194201 492740652 /nfs/dbraw/zinc/74/06/52/492740652.db2.gz AJVUBSJMLXSZEJ-UHFFFAOYSA-N -1 3 355.441 0.710 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-][C@H](C(=O)N(C)CC)C(C)C)CCOCC1 ZINC000625231887 492742231 /nfs/dbraw/zinc/74/22/31/492742231.db2.gz CIAPOVYJWHUXQV-AWEZNQCLSA-N -1 3 364.508 0.994 10 0 FCAEHM O=S(=O)([N-]C[C@H]1CCCCN1CCO)c1cnnn1-c1ccccc1 ZINC000625235691 492743206 /nfs/dbraw/zinc/74/32/06/492743206.db2.gz MRQVNBFXAQBEDI-OAHLLOKOSA-N -1 3 365.459 0.392 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-][C@H]2CCN(C(C)(C)C)C2=O)CCOCC1 ZINC000625263507 492747925 /nfs/dbraw/zinc/74/79/25/492747925.db2.gz HVSASBQFCLTYPP-ZDUSSCGKSA-N -1 3 362.492 0.891 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCN(S(C)(=O)=O)C2)c(F)c1F ZINC000625268588 492748570 /nfs/dbraw/zinc/74/85/70/492748570.db2.gz MTOQIEBFFKUEFN-VIFPVBQESA-N -1 3 354.400 0.585 10 0 FCAEHM CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]Cc1nc(C(N)=O)co1 ZINC000625274540 492749713 /nfs/dbraw/zinc/74/97/13/492749713.db2.gz DGISIWGOHHDVLG-GFCCVEGCSA-N -1 3 371.390 0.590 10 0 FCAEHM Cn1cc(N2C[C@H](C(=O)NCc3ccc(-c4nnn[n-]4)cc3)CC2=O)cn1 ZINC000625369377 492764893 /nfs/dbraw/zinc/76/48/93/492764893.db2.gz OKXWWFPJUMRIST-CYBMUJFWSA-N -1 3 366.385 0.270 10 0 FCAEHM Cn1cc(N2C[C@H](C(=O)NCc3ccc(-c4nn[n-]n4)cc3)CC2=O)cn1 ZINC000625369377 492764898 /nfs/dbraw/zinc/76/48/98/492764898.db2.gz OKXWWFPJUMRIST-CYBMUJFWSA-N -1 3 366.385 0.270 10 0 FCAEHM CC(C)n1cnc(=NC(=O)C(=O)N[C@@H](C)CN2C[C@H](C)C[C@@H](C)C2)[n-]1 ZINC000651534276 492775943 /nfs/dbraw/zinc/77/59/43/492775943.db2.gz AFDUHHPEPOREOF-MCIONIFRSA-N -1 3 350.467 0.702 10 0 FCAEHM COC1(CS(=O)(=O)[N-]Cc2n[nH]cc2Br)CCOCC1 ZINC000651555391 492780921 /nfs/dbraw/zinc/78/09/21/492780921.db2.gz NGICBKUTAFMBAF-UHFFFAOYSA-N -1 3 368.253 0.787 10 0 FCAEHM COC1(CS(=O)(=O)[N-]CC(=O)N(C)C2CCCCC2)CCOCC1 ZINC000651590348 492788697 /nfs/dbraw/zinc/78/86/97/492788697.db2.gz GXPKYSOYPGSHSA-UHFFFAOYSA-N -1 3 362.492 0.893 10 0 FCAEHM CC(C)n1cnc(=NC(=O)C(=O)N[C@H](C)[C@@H]2CCCN(C3CCC3)C2)[n-]1 ZINC000651658223 492801944 /nfs/dbraw/zinc/80/19/44/492801944.db2.gz KPXJZCJPYRXLLA-ZIAGYGMSSA-N -1 3 362.478 0.989 10 0 FCAEHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@H](NS(C)(=O)=O)C3)nc2)n1 ZINC000644871315 492817634 /nfs/dbraw/zinc/81/76/34/492817634.db2.gz BMPJBDGVSSSNOH-ZDUSSCGKSA-N -1 3 363.443 0.935 10 0 FCAEHM CCOc1ccncc1S(=O)(=O)[N-]Cc1ncc2c(n1)CCOC2 ZINC000651803405 492826334 /nfs/dbraw/zinc/82/63/34/492826334.db2.gz RWYRAXLOWVGKIP-UHFFFAOYSA-N -1 3 350.400 0.822 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]CCCN1CCOCC1 ZINC000631639102 492828427 /nfs/dbraw/zinc/82/84/27/492828427.db2.gz VSYGOEYEJCEJBH-UHFFFAOYSA-N -1 3 356.370 0.440 10 0 FCAEHM O=S(=O)([N-]CC[C@@]1(O)CCOC1)c1ccc(Br)cn1 ZINC000651838819 492831616 /nfs/dbraw/zinc/83/16/16/492831616.db2.gz LFVFDFYHYLPVBV-LLVKDONJSA-N -1 3 351.222 0.664 10 0 FCAEHM COCCN1CCC[C@@H]1C[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000631895803 492872491 /nfs/dbraw/zinc/87/24/91/492872491.db2.gz WYPXQIHKHAWUGF-SNVBAGLBSA-N -1 3 370.397 0.828 10 0 FCAEHM C[C@H]1COCCN1CC[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000631900858 492873795 /nfs/dbraw/zinc/87/37/95/492873795.db2.gz JSFBAUDSGXGIDI-VIFPVBQESA-N -1 3 356.370 0.438 10 0 FCAEHM CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2cc([O-])cc(F)c2)CC1 ZINC000631899250 492873844 /nfs/dbraw/zinc/87/38/44/492873844.db2.gz JDJWPDABSCZSLN-UHFFFAOYSA-N -1 3 373.450 0.706 10 0 FCAEHM COCCN1CCC[C@@H]([N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)C1 ZINC000631909549 492875491 /nfs/dbraw/zinc/87/54/91/492875491.db2.gz HYSGJVDXQSPHBL-SNVBAGLBSA-N -1 3 370.397 0.828 10 0 FCAEHM Cn1ccnc1[C@@H]([N-]S(=O)(=O)C[C@H]1CNCCO1)c1ccccc1F ZINC000631910770 492876594 /nfs/dbraw/zinc/87/65/94/492876594.db2.gz NHJXLGLIQDHXPA-DOMZBBRYSA-N -1 3 368.434 0.556 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1)C(=O)Nc1ccccc1 ZINC000631948054 492896177 /nfs/dbraw/zinc/89/61/77/492896177.db2.gz VDJRQNOTLCGVIQ-SMDDNHRTSA-N -1 3 351.428 0.696 10 0 FCAEHM CCN1C[C@H](S(=O)(=O)[N-][C@H]2CCN(c3ccccc3F)C2=O)CC1=O ZINC000631953900 492897484 /nfs/dbraw/zinc/89/74/84/492897484.db2.gz VXAZVRXCXBWESR-YPMHNXCESA-N -1 3 369.418 0.471 10 0 FCAEHM CN1CCO[C@@H](CS(=O)(=O)[N-][C@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000631969968 492900717 /nfs/dbraw/zinc/90/07/17/492900717.db2.gz PAKULFLVGNOECZ-CVEARBPZSA-N -1 3 367.471 0.432 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)C3(n4cnnn4)CCCCC3)cc2n(C)c1=O ZINC000652259108 492901440 /nfs/dbraw/zinc/90/14/40/492901440.db2.gz FXKHLADSYYMLKJ-UHFFFAOYSA-N -1 3 371.401 0.867 10 0 FCAEHM O=S(=O)(Cc1ncsc1Br)[N-]CC1(O)CCOCC1 ZINC000632005927 492909242 /nfs/dbraw/zinc/90/92/42/492909242.db2.gz JNAGIGWUDBZPDH-UHFFFAOYSA-N -1 3 371.278 0.867 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CCC(=O)N2CCCCC2)coc1C(=O)N(C)C ZINC000645478317 492912699 /nfs/dbraw/zinc/91/26/99/492912699.db2.gz MMALSPFIGNAQQH-UHFFFAOYSA-N -1 3 371.459 0.971 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CCNC(=O)C(C)(C)C)coc1C(=O)N(C)C ZINC000645507378 492916529 /nfs/dbraw/zinc/91/65/29/492916529.db2.gz KYVSWWXNAMXDLN-UHFFFAOYSA-N -1 3 359.448 0.730 10 0 FCAEHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)C[C@@H]2CN(C)CCO2)C(=O)N1c1ccccc1 ZINC000632037398 492916707 /nfs/dbraw/zinc/91/67/07/492916707.db2.gz VPWZMEDGUWQESK-VNQPRFMTSA-N -1 3 367.471 0.430 10 0 FCAEHM COC1(CS(=O)(=O)[N-][C@H]2CCN(c3cc(C)nn3C)C2=O)CCC1 ZINC000632041676 492917253 /nfs/dbraw/zinc/91/72/53/492917253.db2.gz SSWLAHZNCRFWNO-LBPRGKRZSA-N -1 3 356.448 0.322 10 0 FCAEHM COCCN1CCC[C@H]([N-]S(=O)(=O)c2coc(C(=O)N(C)C)c2C)C1 ZINC000645521970 492919673 /nfs/dbraw/zinc/91/96/73/492919673.db2.gz CGQBYFMHMMJWFT-ZDUSSCGKSA-N -1 3 373.475 0.679 10 0 FCAEHM Cn1cc(N2CC[C@H]([N-]S(=O)(=O)CCC[C@H]3CCOC3)C2=O)cn1 ZINC000645546644 492923439 /nfs/dbraw/zinc/92/34/39/492923439.db2.gz AEYIUJRAJJLSOX-JSGCOSHPSA-N -1 3 356.448 0.262 10 0 FCAEHM CN1CCO[C@@H](CS(=O)(=O)[N-]Cc2nnc(-c3ccccc3)s2)C1 ZINC000632099587 492929009 /nfs/dbraw/zinc/92/90/09/492929009.db2.gz LVSMPAOKPYJJIP-CYBMUJFWSA-N -1 3 368.484 0.955 10 0 FCAEHM CCC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)C1 ZINC000632104300 492930020 /nfs/dbraw/zinc/93/00/20/492930020.db2.gz FATMRXQAFDAXFP-MRVPVSSYSA-N -1 3 354.354 0.728 10 0 FCAEHM O=c1[nH]cc(S(=O)(=O)[N-][C@@H]2CCCN(CC(F)(F)F)C2=O)s1 ZINC000632127345 492935372 /nfs/dbraw/zinc/93/53/72/492935372.db2.gz BHIYWSSMVOFDOY-ZCFIWIBFSA-N -1 3 359.351 0.680 10 0 FCAEHM CCC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2coc(C(=O)N(C)C)c2C)C1 ZINC000645603136 492937961 /nfs/dbraw/zinc/93/79/61/492937961.db2.gz BMEYCSOIWXZQAA-LLVKDONJSA-N -1 3 357.432 0.579 10 0 FCAEHM O=S(=O)(Cc1ncsc1Br)[N-]CCn1ccnn1 ZINC000632199123 492949780 /nfs/dbraw/zinc/94/97/80/492949780.db2.gz FDEQZVYZQRGJCJ-UHFFFAOYSA-N -1 3 352.239 0.617 10 0 FCAEHM C[C@@]1(C[C@@H]2CCCN2S(=O)(=O)CCOCC2CCC2)NC(=O)[N-]C1=O ZINC000645713341 492965068 /nfs/dbraw/zinc/96/50/68/492965068.db2.gz KKHFIYUYLGNJKZ-BBRMVZONSA-N -1 3 373.475 0.586 10 0 FCAEHM CC(=O)N1CCC[C@H](C[N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)C1 ZINC000632294111 492967224 /nfs/dbraw/zinc/96/72/24/492967224.db2.gz ULINUVGYVISLML-SNVBAGLBSA-N -1 3 368.381 0.976 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]C[C@H](CO)[C@@H]1CCOC1 ZINC000632298197 492967648 /nfs/dbraw/zinc/96/76/48/492967648.db2.gz FMBPCOUPHKPLDM-RKDXNWHRSA-N -1 3 357.354 0.362 10 0 FCAEHM CCN(C)C(=O)[C@@H]([N-]S(=O)(=O)C[C@@H](OC)C1CCOCC1)C(C)C ZINC000645742954 492968564 /nfs/dbraw/zinc/96/85/64/492968564.db2.gz OHJOBXHAWLWVRW-CABCVRRESA-N -1 3 364.508 0.850 10 0 FCAEHM CCN1CC[C@@H]([N-]S(=O)(=O)Cc2ncsc2Br)C1=O ZINC000632314639 492970980 /nfs/dbraw/zinc/97/09/80/492970980.db2.gz DICYNFZITAANHA-SSDOTTSWSA-N -1 3 368.278 0.946 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]C[C@H]2CC[C@H](C(N)=O)CC2)coc1C(=O)N(C)C ZINC000645762439 492972148 /nfs/dbraw/zinc/97/21/48/492972148.db2.gz ATMKLFWCWWHDSO-HAQNSBGRSA-N -1 3 371.459 0.860 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]C[C@H]2CS(=O)(=O)c3ccccc3O2)cn1C ZINC000645788508 492975163 /nfs/dbraw/zinc/97/51/63/492975163.db2.gz UVTSBNAADDAGOA-NSHDSACASA-N -1 3 371.440 0.242 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CCCc2ncn(C)n2)s1 ZINC000645805049 492976982 /nfs/dbraw/zinc/97/69/82/492976982.db2.gz MLDMTFFIRNXNPW-UHFFFAOYSA-N -1 3 357.461 0.424 10 0 FCAEHM O=C(NC[C@H](O)[C@H]1CCCO1)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000626471507 492982375 /nfs/dbraw/zinc/98/23/75/492982375.db2.gz HVZJAYYHQXVNSP-MELADBBJSA-N -1 3 362.386 0.099 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-][C@@H]1C[C@@H]2CCCCN2C1=O ZINC000632434318 492996817 /nfs/dbraw/zinc/99/68/17/492996817.db2.gz RJKPWLVJQUBJES-WCBMZHEXSA-N -1 3 366.365 0.871 10 0 FCAEHM Cn1cc(C[C@H](CO)[N-]S(=O)(=O)c2cccnc2C(F)(F)F)cn1 ZINC000632471412 493004603 /nfs/dbraw/zinc/00/46/03/493004603.db2.gz IDJBKGZWAXZOTR-SNVBAGLBSA-N -1 3 364.349 0.716 10 0 FCAEHM Cc1cn(CC(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)nc1C(F)(F)F ZINC000626709115 493010426 /nfs/dbraw/zinc/01/04/26/493010426.db2.gz NRXYNRUZUQXTRB-CYBMUJFWSA-N -1 3 359.308 0.411 10 0 FCAEHM CCn1cc(S(=O)(=O)[N-][C@@H]2C[C@H](N3CCOCC3)C2(C)C)nc1C ZINC000632501489 493015155 /nfs/dbraw/zinc/01/51/55/493015155.db2.gz NEIKVRKHYNEXNN-KGLIPLIRSA-N -1 3 356.492 0.989 10 0 FCAEHM CC1(C)[C@H](N2CCOCC2)C[C@@H]1[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000632503160 493015233 /nfs/dbraw/zinc/01/52/33/493015233.db2.gz WONJDBUAZICWKF-UONOGXRCSA-N -1 3 370.475 0.443 10 0 FCAEHM CN1CCC[C@H]1CNC(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC000626769088 493017038 /nfs/dbraw/zinc/01/70/38/493017038.db2.gz XFWVWBOXVGZOBY-ARFHVFGLSA-N -1 3 374.441 0.807 10 0 FCAEHM COc1cccc([C@H](C[N-]S(=O)(=O)C[C@H]2CN(C)CCO2)OC)c1 ZINC000632589678 493038422 /nfs/dbraw/zinc/03/84/22/493038422.db2.gz VFNFETGSYGGKRO-CVEARBPZSA-N -1 3 358.460 0.633 10 0 FCAEHM CN1CCOC[C@H]1C[N-]S(=O)(=O)Cc1ncsc1Br ZINC000632597139 493041251 /nfs/dbraw/zinc/04/12/51/493041251.db2.gz KMAPXLGVJCBXRM-MRVPVSSYSA-N -1 3 370.294 0.656 10 0 FCAEHM Cc1cc(C2([N-]S(=O)(=O)C[C@@H]3CN(C)CCO3)CCOCC2)on1 ZINC000632602839 493043159 /nfs/dbraw/zinc/04/31/59/493043159.db2.gz XOAYFLVTNDBGAB-ZDUSSCGKSA-N -1 3 359.448 0.239 10 0 FCAEHM C[C@]1(c2ccc(C(=O)N3CC(CN4CCOCC4)C3)cc2)NC(=O)[N-]C1=O ZINC000646358485 493044033 /nfs/dbraw/zinc/04/40/33/493044033.db2.gz ODDYCNMZBAUZRA-LJQANCHMSA-N -1 3 372.425 0.145 10 0 FCAEHM Cn1ncc(Cl)c1S(=O)(=O)[N-]C[C@@H](n1cncn1)C(F)(F)F ZINC000632645281 493057467 /nfs/dbraw/zinc/05/74/67/493057467.db2.gz OYYPNUXULTXRMU-SSDOTTSWSA-N -1 3 358.733 0.747 10 0 FCAEHM CC1(C)CN(C(=O)C[N-]S(=O)(=O)c2ccccc2F)[C@@H]2COC[C@H]2O1 ZINC000653005241 493057817 /nfs/dbraw/zinc/05/78/17/493057817.db2.gz ILJDCTQKJAAAMA-CHWSQXEVSA-N -1 3 372.418 0.509 10 0 FCAEHM Cc1c(C(=O)N(C)C)occ1S(=O)(=O)[N-][C@@H](C)[C@@H](O)C(F)(F)F ZINC000632676346 493063641 /nfs/dbraw/zinc/06/36/41/493063641.db2.gz IYRFHSLNNPRTNR-OIBJUYFYSA-N -1 3 358.338 0.880 10 0 FCAEHM CCn1nc(C)cc1NC(=O)C(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000627348000 493167572 /nfs/dbraw/zinc/16/75/72/493167572.db2.gz UVIHPYDIFYACIC-UHFFFAOYSA-N -1 3 373.413 0.792 10 0 FCAEHM C[C@]1(c2cccc(NC(=O)CN3CCN(C4CC4)C3=O)c2)NC(=O)[N-]C1=O ZINC000666439733 493182994 /nfs/dbraw/zinc/18/29/94/493182994.db2.gz IPVNNXKTVXCBQU-GOSISDBHSA-N -1 3 371.397 0.580 10 0 FCAEHM COC[C@@H](CCNC(=O)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1)OC ZINC000666513120 493196112 /nfs/dbraw/zinc/19/61/12/493196112.db2.gz MYESOEJHDNFEHO-KGLIPLIRSA-N -1 3 364.402 0.610 10 0 FCAEHM C[C@@H]1C[C@@H](NC(=O)Nc2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)c2ncnn21 ZINC000666512886 493196667 /nfs/dbraw/zinc/19/66/67/493196667.db2.gz LOEXQJVDPIUKEB-WQAKAFBOSA-N -1 3 369.385 0.856 10 0 FCAEHM C[C@]12COC[C@@H]1CN(C(=O)Nc1ccc(C[C@H]3NC(=O)[N-]C3=O)cc1)C2 ZINC000666513853 493197438 /nfs/dbraw/zinc/19/74/38/493197438.db2.gz SDLQWFTXDGLNDR-WRSAYESZSA-N -1 3 358.398 0.937 10 0 FCAEHM CCn1nc2c(cc1=O)CN(C(=O)CNC(=O)c1cccc([O-])c1)CC2 ZINC000681733869 493211142 /nfs/dbraw/zinc/21/11/42/493211142.db2.gz LRDUSKVEHDGRPC-UHFFFAOYSA-N -1 3 356.382 0.284 10 0 FCAEHM Cn1cc(C[C@@H]2CCC[C@H]2NC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)cn1 ZINC000666708680 493219380 /nfs/dbraw/zinc/21/93/80/493219380.db2.gz GTXWXXOROFENNF-BFHYXJOUSA-N -1 3 360.418 0.077 10 0 FCAEHM CN1c2ccccc2C[C@H](NC(=O)NCc2nc(CN)cc(=O)[n-]2)C1=O ZINC000659629498 493222891 /nfs/dbraw/zinc/22/28/91/493222891.db2.gz VPDHFLZSIYIKHA-LBPRGKRZSA-N -1 3 356.386 0.028 10 0 FCAEHM CC[C@H]1CN(C(=O)NCc2nc(CN)cc(=O)[n-]2)C[C@@]2(CCOC2)O1 ZINC000659629536 493223010 /nfs/dbraw/zinc/22/30/10/493223010.db2.gz GOGCUNUUXJUWKK-BLLLJJGKSA-N -1 3 351.407 0.120 10 0 FCAEHM COc1cccc([C@@H]2CN(C(=O)NCc3nc(CN)cc(=O)[n-]3)CCO2)c1 ZINC000659630874 493223968 /nfs/dbraw/zinc/22/39/68/493223968.db2.gz OJHHYRQIHMSGRT-HNNXBMFYSA-N -1 3 373.413 0.933 10 0 FCAEHM CC(C)N1C(=O)CN(C(=O)NCc2nc(CN)cc(=O)[n-]2)CC1(C)C ZINC000659631363 493225096 /nfs/dbraw/zinc/22/50/96/493225096.db2.gz DFIBBQDSHAPSEL-UHFFFAOYSA-N -1 3 350.423 0.182 10 0 FCAEHM CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)NCc1nc(CN)cc(=O)[n-]1 ZINC000659631512 493225344 /nfs/dbraw/zinc/22/53/44/493225344.db2.gz GHCMLODORUKBKO-AWEZNQCLSA-N -1 3 372.429 0.140 10 0 FCAEHM C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000659665277 493239341 /nfs/dbraw/zinc/23/93/41/493239341.db2.gz SLGJYEQTRWGBEE-CQSZACIVSA-N -1 3 353.463 0.936 10 0 FCAEHM O=C([O-])C1(CNC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)CCC1 ZINC000659668956 493241717 /nfs/dbraw/zinc/24/17/17/493241717.db2.gz OMYCTBCSALIPHW-CQSZACIVSA-N -1 3 351.447 0.834 10 0 FCAEHM CN1CCc2cc(NC(=O)N3CCN4C(=O)[N-]C(=O)[C@@H]4C3)ccc2C1=O ZINC000667761591 493301056 /nfs/dbraw/zinc/30/10/56/493301056.db2.gz XRSINYVXBZCOIA-ZDUSSCGKSA-N -1 3 357.370 0.083 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)NCCC2CS(=O)(=O)C2)c([O-])c1 ZINC000682561596 493309066 /nfs/dbraw/zinc/30/90/66/493309066.db2.gz ALQXUHHOUSCKBP-UHFFFAOYSA-N -1 3 354.428 0.371 10 0 FCAEHM C[C@@]1(c2ccc(C(=O)N3C[C@H](O)CC(F)(F)C3)cc2)NC(=O)[N-]C1=O ZINC000682592083 493310350 /nfs/dbraw/zinc/31/03/50/493310350.db2.gz XOKSCJBDQINPLP-ABAIWWIYSA-N -1 3 353.325 0.583 10 0 FCAEHM COC[C@H]([N-]S(=O)(=O)C[C@@]1(OC(C)C)CCOC1)C1CCOCC1 ZINC000659988223 493312397 /nfs/dbraw/zinc/31/23/97/493312397.db2.gz SWAILKGMEBCRMN-JKSUJKDBSA-N -1 3 365.492 0.932 10 0 FCAEHM CO[C@H](C[N-]S(=O)(=O)C[C@]1(OC(C)C)CCOC1)[C@H]1CCOC1 ZINC000659989637 493312517 /nfs/dbraw/zinc/31/25/17/493312517.db2.gz QBNOFFFXEJCROO-ZNMIVQPWSA-N -1 3 351.465 0.541 10 0 FCAEHM COc1cc(C[N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)on1 ZINC000660011255 493314674 /nfs/dbraw/zinc/31/46/74/493314674.db2.gz GKFLLSAZCVRZCS-UHFFFAOYSA-N -1 3 363.395 0.997 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@H]1CCN(C)C(=O)C1 ZINC000682691321 493317602 /nfs/dbraw/zinc/31/76/02/493317602.db2.gz KWVDEXMBDQQZRS-QWRGUYRKSA-N -1 3 357.407 0.230 10 0 FCAEHM CCS(=O)(=O)C1(C[N-]S(=O)(=O)C[C@@]2(OC(C)C)CCOC2)CC1 ZINC000660043661 493318412 /nfs/dbraw/zinc/31/84/12/493318412.db2.gz HOCOBJQSXUAEET-CYBMUJFWSA-N -1 3 369.505 0.457 10 0 FCAEHM CCS(=O)(=O)C1(C[N-]S(=O)(=O)C[C@@H](OC)C2CCOCC2)CC1 ZINC000660045052 493318501 /nfs/dbraw/zinc/31/85/01/493318501.db2.gz XOBJWSMERQXVEA-CYBMUJFWSA-N -1 3 369.505 0.315 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC3(COC3)C2)cc1F ZINC000660066945 493320760 /nfs/dbraw/zinc/32/07/60/493320760.db2.gz UPALJRYHZRDCBH-UHFFFAOYSA-N -1 3 364.420 0.608 10 0 FCAEHM COc1cc(OC)cc(N2CC[C@H]([N-]S(=O)(=O)N(C)C3CC3)C2=O)c1 ZINC000673929021 493375212 /nfs/dbraw/zinc/37/52/12/493375212.db2.gz JONONLTVGBAPRK-HNNXBMFYSA-N -1 3 369.443 0.738 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)NC[C@@H](C)c2ccncc2)cn1C ZINC000674121572 493391821 /nfs/dbraw/zinc/39/18/21/493391821.db2.gz COSDZFVXQQUPIU-LLVKDONJSA-N -1 3 351.432 0.322 10 0 FCAEHM COc1ccc2c(c1)OC[C@@H](C(=O)N1CCC[C@@]3(C1)NC(=O)[N-]C3=O)C2 ZINC000684078940 493392468 /nfs/dbraw/zinc/39/24/68/493392468.db2.gz SXRZXJGSDKDHET-SGTLLEGYSA-N -1 3 359.382 0.447 10 0 FCAEHM CCC[C@H](C)N1C[C@@H](C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)CC1=O ZINC000684079234 493392636 /nfs/dbraw/zinc/39/26/36/493392636.db2.gz NRXIJZBIYCCBOP-NVGCLXPQSA-N -1 3 350.419 0.224 10 0 FCAEHM C[C@@H]1[C@H](NC(=O)CC[C@H]2NC(=O)[N-]C2=O)CC(=O)N1Cc1ccccc1 ZINC000685015537 493442243 /nfs/dbraw/zinc/44/22/43/493442243.db2.gz PJNHWODRJPOVPG-MRVWCRGKSA-N -1 3 358.398 0.280 10 0 FCAEHM O=C([O-])CN1CC[C@@H](N2CCC(CCCN3CCOCC3)CC2)C1=O ZINC000662211767 493496936 /nfs/dbraw/zinc/49/69/36/493496936.db2.gz QXCUDMRXZXZDAV-MRXNPFEDSA-N -1 3 353.463 0.496 10 0 FCAEHM C[C@@H]1CCCC[C@H]1OCCNC(=O)CN1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662219965 493497228 /nfs/dbraw/zinc/49/72/28/493497228.db2.gz PSKRBODEEKHYMU-ATNYBXOESA-N -1 3 354.447 0.731 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)[C@@H]1CN(C)CCO1 ZINC000676238117 493533109 /nfs/dbraw/zinc/53/31/09/493533109.db2.gz DXYMDZISHCXEKF-NEPJUHHUSA-N -1 3 362.473 0.088 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)[C@@H]1CN(C)CCO1 ZINC000676238120 493533197 /nfs/dbraw/zinc/53/31/97/493533197.db2.gz DXYMDZISHCXEKF-RYUDHWBXSA-N -1 3 362.473 0.088 10 0 FCAEHM C[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F)[C@@H]1CN(C)CCO1 ZINC000676287039 493541571 /nfs/dbraw/zinc/54/15/71/493541571.db2.gz NGRRZSUQWMDDAV-DYEKYZERSA-N -1 3 373.450 0.328 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2Cc3c[nH]nc3CC(C)(C)C2)cn1 ZINC000663198183 493576881 /nfs/dbraw/zinc/57/68/81/493576881.db2.gz MLIPYCTTWARDDL-UHFFFAOYSA-N -1 3 363.443 0.938 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2Cc3c[nH]nc3CC(C)(C)C2)c1 ZINC000663198980 493577283 /nfs/dbraw/zinc/57/72/83/493577283.db2.gz HRTQGYFAWPQAAB-UHFFFAOYSA-N -1 3 366.447 0.033 10 0 FCAEHM O=C([O-])c1ccc(CN2C(=O)C[C@H](N3CC[C@@H]4COC[C@H]4C3)C2=O)cc1 ZINC000663221715 493577957 /nfs/dbraw/zinc/57/79/57/493577957.db2.gz QTTXRDNNRASTFQ-OAGGEKHMSA-N -1 3 358.394 0.981 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2C[C@H](C)C(O)[C@@H](C)C2)s1 ZINC000663535934 493594542 /nfs/dbraw/zinc/59/45/42/493594542.db2.gz CXPUMYPNJXNZCY-UWVGGRQHSA-N -1 3 361.489 0.815 10 0 FCAEHM COC[C@@H](O)CNC(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000677293973 493594864 /nfs/dbraw/zinc/59/48/64/493594864.db2.gz ZBIXKSGLHUZZQI-ZDUSSCGKSA-N -1 3 365.411 0.767 10 0 FCAEHM Cc1cc(C[N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)ncn1 ZINC000677422941 493600678 /nfs/dbraw/zinc/60/06/78/493600678.db2.gz YEWLJEMESJRODD-UHFFFAOYSA-N -1 3 353.425 0.593 10 0 FCAEHM Cn1nnnc1CC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000678492811 493646548 /nfs/dbraw/zinc/64/65/48/493646548.db2.gz MDGFTUWENJIHID-UHFFFAOYSA-N -1 3 353.301 0.889 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)N1CC[C@@H](O)C(F)(F)C1 ZINC000664503212 493664220 /nfs/dbraw/zinc/66/42/20/493664220.db2.gz QVLFJBHIVCHRGO-SECBINFHSA-N -1 3 369.415 0.438 10 0 FCAEHM C[C@@H]1CCN(S(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)C[C@@H]1F ZINC000679203173 493672180 /nfs/dbraw/zinc/67/21/80/493672180.db2.gz ZZIPYMAGQNAZQV-KCJUWKMLSA-N -1 3 356.379 0.403 10 0 FCAEHM CCS(=O)(=O)[N-]Cc1nc(-c2ccc(N3CCN(C)CC3)cn2)no1 ZINC000664940205 493691327 /nfs/dbraw/zinc/69/13/27/493691327.db2.gz FNKXKGFQRSBDJY-UHFFFAOYSA-N -1 3 366.447 0.323 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)c2cccc3ncnn32)s1 ZINC000679839745 493697357 /nfs/dbraw/zinc/69/73/57/493697357.db2.gz DLLDZPHUVUHHFP-UHFFFAOYSA-N -1 3 351.413 0.629 10 0 FCAEHM Cn1cc(C[N-]S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)nn1 ZINC000679936006 493702453 /nfs/dbraw/zinc/70/24/53/493702453.db2.gz VUHQMFKJAZZXSZ-UHFFFAOYSA-N -1 3 351.310 0.630 10 0 FCAEHM Cc1nc(S(=O)(=O)N2CCC[C@H]2C[C@]2(C)NC(=O)[N-]C2=O)sc1C ZINC000671698440 493703450 /nfs/dbraw/zinc/70/34/50/493703450.db2.gz DDBXZALDCZECEM-HZMBPMFUSA-N -1 3 372.472 0.901 10 0 FCAEHM Cc1cc(C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)c(C)n1Cc1ccncc1 ZINC000680817596 493730572 /nfs/dbraw/zinc/73/05/72/493730572.db2.gz FBCGTKGLOORLGA-INIZCTEOSA-N -1 3 367.409 0.924 10 0 FCAEHM Cc1ccc2[n-]cc(C(=O)NCCCN3CCCS3(=O)=O)c(=O)c2c1 ZINC000672158502 493738751 /nfs/dbraw/zinc/73/87/51/493738751.db2.gz PLQIARICZFQZKN-UHFFFAOYSA-N -1 3 363.439 0.992 10 0 FCAEHM Cn1cc(C[N-]S(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)nn1 ZINC000681031137 493741515 /nfs/dbraw/zinc/74/15/15/493741515.db2.gz LTGCFDJYHPJLPI-NSHDSACASA-N -1 3 370.406 0.848 10 0 FCAEHM O=C(CN1CCC[C@]2(C1)NC(=O)[N-]C2=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000192657004 534536340 /nfs/dbraw/zinc/53/63/40/534536340.db2.gz JPGSLWMIFFRGEN-IINYFYTJSA-N -1 3 362.352 0.461 10 0 FCAEHM O=C([N-]c1nccn1-c1ccccc1)C(=O)NC[C@@H]1CCCCN1CCO ZINC000411563919 534561290 /nfs/dbraw/zinc/56/12/90/534561290.db2.gz CKMJKHQOIRNZBA-INIZCTEOSA-N -1 3 371.441 0.774 10 0 FCAEHM COC[N-]S(=O)(=O)c1c2cc(Br)ccc2[nH]c1C(N)=O ZINC000090556331 522158142 /nfs/dbraw/zinc/15/81/42/522158142.db2.gz AEGXJXVEUZMUEC-UHFFFAOYSA-N -1 3 362.205 0.912 10 0 FCAEHM CCCc1nc(=NC(=O)C(=O)N2CC[C@H](N3CCCC3)[C@@H]2C)s[n-]1 ZINC000411525404 528684276 /nfs/dbraw/zinc/68/42/76/528684276.db2.gz BGQAELPVYDZTIO-RYUDHWBXSA-N -1 3 351.476 0.936 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000443192666 536331371 /nfs/dbraw/zinc/33/13/71/536331371.db2.gz SXNBYMPZSDDRKU-SRVKXCTJSA-N -1 3 362.473 0.781 10 0 FCAEHM COC[C@H]1CCCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)CC1 ZINC000457055653 536511987 /nfs/dbraw/zinc/51/19/87/536511987.db2.gz ZKVIMHWSSQANBH-JTQLQIEISA-N -1 3 374.235 0.987 10 0 FCAEHM COc1cccc(C(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c1[O-] ZINC000436803943 537085654 /nfs/dbraw/zinc/08/56/54/537085654.db2.gz SNHYISBZDBNLDS-LLVKDONJSA-N -1 3 357.432 0.401 10 0 FCAEHM CCOC(=O)[C@H](Cc1ccccn1)[N-]S(=O)(=O)N1CCCOCC1 ZINC000593585921 546719531 /nfs/dbraw/zinc/71/95/31/546719531.db2.gz PMDYJPIHYAWFFT-AWEZNQCLSA-N -1 3 357.432 0.113 10 0 FCAEHM COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)[N-]Cc1ncc2c(n1)CCOC2 ZINC000593626903 546723060 /nfs/dbraw/zinc/72/30/60/546723060.db2.gz LVCWBZFRTWDDGT-GXTWGEPZSA-N -1 3 369.443 0.701 10 0 FCAEHM COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)[N-]Cc1ncc2c(n1)CCOC2 ZINC000593626906 546723777 /nfs/dbraw/zinc/72/37/77/546723777.db2.gz LVCWBZFRTWDDGT-TZMCWYRMSA-N -1 3 369.443 0.701 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CCF)C(=O)OC)cc1F ZINC000593633000 546724431 /nfs/dbraw/zinc/72/44/31/546724431.db2.gz CVKGVEJMDWLLHP-LLVKDONJSA-N -1 3 351.327 0.792 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CCF)C(=O)OC)cc1F ZINC000593633001 546724711 /nfs/dbraw/zinc/72/47/11/546724711.db2.gz CVKGVEJMDWLLHP-NSHDSACASA-N -1 3 351.327 0.792 10 0 FCAEHM COC(=O)[C@H](CCF)[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000593632360 546724799 /nfs/dbraw/zinc/72/47/99/546724799.db2.gz UXVYVSSHHSVXEN-VIFPVBQESA-N -1 3 353.393 0.270 10 0 FCAEHM CCOC(=O)c1ccc(S(=O)(=O)[N-]CC[C@]2(O)CCOC2)c(F)c1 ZINC000593634895 546725329 /nfs/dbraw/zinc/72/53/29/546725329.db2.gz DTLURRWPYBLHGD-HNNXBMFYSA-N -1 3 361.391 0.822 10 0 FCAEHM O=[S@]1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000593662570 546731675 /nfs/dbraw/zinc/73/16/75/546731675.db2.gz YMVWMRYIBJFZIR-OPBZGHIISA-N -1 3 373.847 0.414 10 0 FCAEHM O=[S@]1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000593662570 546731678 /nfs/dbraw/zinc/73/16/78/546731678.db2.gz YMVWMRYIBJFZIR-OPBZGHIISA-N -1 3 373.847 0.414 10 0 FCAEHM COC(=O)[C@@H](CCF)[N-]S(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 ZINC000593637582 546732928 /nfs/dbraw/zinc/73/29/28/546732928.db2.gz YTUIDISBBKDGIO-SNVBAGLBSA-N -1 3 352.771 0.618 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]CC[C@]2(O)CCOC2)c(Cl)c1 ZINC000593638200 546733431 /nfs/dbraw/zinc/73/34/31/546733431.db2.gz ZKGJVDRRUJROTB-AWEZNQCLSA-N -1 3 363.819 0.946 10 0 FCAEHM COC(=O)[C@H](CCF)NC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000593802182 546752517 /nfs/dbraw/zinc/75/25/17/546752517.db2.gz RWTMDTLHKQEJAH-MEDUHNTESA-N -1 3 351.334 0.372 10 0 FCAEHM COC(=O)[C@@H](CCF)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000593800964 546752774 /nfs/dbraw/zinc/75/27/74/546752774.db2.gz NXPOBGYFAFRIFR-GXSJLCMTSA-N -1 3 364.370 0.510 10 0 FCAEHM COC(=O)c1ncccc1S(=O)(=O)[N-]C[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594471288 546791687 /nfs/dbraw/zinc/79/16/87/546791687.db2.gz AKCMLLBSDZKEMJ-UPJWGTAASA-N -1 3 371.459 0.644 10 0 FCAEHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]C[C@@](C)(CO)OC)s1 ZINC000594484396 546797001 /nfs/dbraw/zinc/79/70/01/546797001.db2.gz JPVPUFJUWLZXPX-LBPRGKRZSA-N -1 3 353.418 0.219 10 0 FCAEHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@H](OC)[C@@H]2CCOC2)c1 ZINC000594798718 546826093 /nfs/dbraw/zinc/82/60/93/546826093.db2.gz ADHKHOBRPGDOEK-YGRLFVJLSA-N -1 3 361.391 0.942 10 0 FCAEHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C[C@H](OC)[C@@H]1CCOC1 ZINC000594805317 546828524 /nfs/dbraw/zinc/82/85/24/546828524.db2.gz VHBKCNPVGVWFRJ-PWSUYJOCSA-N -1 3 361.391 0.942 10 0 FCAEHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]C[C@H](OC)[C@@H]1CCOC1 ZINC000594804538 546828738 /nfs/dbraw/zinc/82/87/38/546828738.db2.gz ROILEDKXFHOWCA-MFKMUULPSA-N -1 3 361.416 0.958 10 0 FCAEHM COC(=O)[C@H](CF)[N-]S(=O)(=O)c1cc2c(cc1OC)CCCNC2=O ZINC000594777809 546832705 /nfs/dbraw/zinc/83/27/05/546832705.db2.gz CNVXXTHFOABEBU-NSHDSACASA-N -1 3 374.390 0.161 10 0 FCAEHM COC(=O)[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)c1cnc2c(Cl)c(C)nn2c1 ZINC000594824804 546837263 /nfs/dbraw/zinc/83/72/63/546837263.db2.gz RYALEPAATYQYFL-GXSJLCMTSA-N -1 3 374.806 0.300 10 0 FCAEHM COCc1nc(C[N-]S(=O)(=O)c2ccc(C(=O)OC)c(Cl)c2)n[nH]1 ZINC000594826427 546837344 /nfs/dbraw/zinc/83/73/44/546837344.db2.gz AAIFOHACGQLGHH-UHFFFAOYSA-N -1 3 374.806 0.870 10 0 FCAEHM CS(=O)(=O)Nc1cccc(-c2noc(CN3CC(=O)[N-]C3=O)n2)c1 ZINC000545628424 547033050 /nfs/dbraw/zinc/03/30/50/547033050.db2.gz GKUGAXAGPUUNKZ-UHFFFAOYSA-N -1 3 351.344 0.160 10 0 FCAEHM O=C1[N-]C(=O)N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)nc3)C[C@H]12 ZINC000546779797 547045779 /nfs/dbraw/zinc/04/57/79/547045779.db2.gz LCSKWTZVSDSQHA-MRVPVSSYSA-N -1 3 364.305 0.025 10 0 FCAEHM CN(C)S(=O)(=O)CCNC(=O)Cc1ccc(Br)cc1[O-] ZINC000552527121 547214081 /nfs/dbraw/zinc/21/40/81/547214081.db2.gz ZCMUMZQAEINCAG-UHFFFAOYSA-N -1 3 365.249 0.705 10 0 FCAEHM O=C(CSCC(=O)N1CCOCC1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898205658 665806784 /nfs/dbraw/zinc/80/67/84/665806784.db2.gz PROVHUFGBGYFMF-NSHDSACASA-N -1 3 354.432 0.023 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NCc2cn(C)nn2)ccc1F ZINC000092110244 663140736 /nfs/dbraw/zinc/14/07/36/663140736.db2.gz LGJLAXGPUPSXKH-UHFFFAOYSA-N -1 3 355.395 0.571 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)[C@H](C)N3CCSCC3)CC2)n1 ZINC000899499382 665943128 /nfs/dbraw/zinc/94/31/28/665943128.db2.gz GZDGIMPURRINDM-ZDUSSCGKSA-N -1 3 351.476 0.577 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)[C@@H](C)N3CCSCC3)CC2)n1 ZINC000899499381 665943191 /nfs/dbraw/zinc/94/31/91/665943191.db2.gz GZDGIMPURRINDM-CYBMUJFWSA-N -1 3 351.476 0.577 10 0 FCAEHM CC(C)[C@H](O)C[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866854894 663466385 /nfs/dbraw/zinc/46/63/85/663466385.db2.gz KNNMLFXVLLSCIA-SSDOTTSWSA-N -1 3 373.216 0.320 10 0 FCAEHM CC[S@@](C)(=O)=NS(=O)(=O)[N-]CCc1cccc(C(=O)N(C)C)c1 ZINC000866868985 663471197 /nfs/dbraw/zinc/47/11/97/663471197.db2.gz VJSHXSKEZMTAMG-JOCHJYFZSA-N -1 3 361.489 0.883 10 0 FCAEHM CN1C[C@H](NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CCC1=O ZINC000737687522 663549436 /nfs/dbraw/zinc/54/94/36/663549436.db2.gz YESVYAPAHIMXGB-GFCCVEGCSA-N -1 3 369.418 0.617 10 0 FCAEHM COCCOC[C@H](C)[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000866875178 663599637 /nfs/dbraw/zinc/59/96/37/663599637.db2.gz UVIRYOVYBPPBQU-QMMMGPOBSA-N -1 3 356.242 0.512 10 0 FCAEHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC2CCC(C(N)=O)CC2)c1 ZINC000066634879 664039016 /nfs/dbraw/zinc/03/90/16/664039016.db2.gz KNLPWOIUNBICKJ-UHFFFAOYSA-N -1 3 355.416 0.538 10 0 FCAEHM CN1CC[C@@H](NC(=O)N[N-]C(=O)c2ccccc2Br)C1=O ZINC000163851953 664065870 /nfs/dbraw/zinc/06/58/70/664065870.db2.gz MDJWIDUVECPJTR-SNVBAGLBSA-N -1 3 355.192 0.624 10 0 FCAEHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cnn(C)c2I)CO1 ZINC000867452352 664468724 /nfs/dbraw/zinc/46/87/24/664468724.db2.gz CYLIMSPBHWWRFG-RNFRBKRXSA-N -1 3 371.200 0.480 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CCCO[C@H]2CCOC2)c(Br)n1 ZINC000866947808 665238299 /nfs/dbraw/zinc/23/82/99/665238299.db2.gz DHDZPECLNCFLDM-VIFPVBQESA-N -1 3 368.253 0.657 10 0 FCAEHM COC(=O)c1nscc1S(=O)(=O)[N-]C[C@@]1(OC)CCSC1 ZINC000921403015 666443715 /nfs/dbraw/zinc/44/37/15/666443715.db2.gz MRSHYJGFRATNDE-NSHDSACASA-N -1 3 352.459 0.730 10 0 FCAEHM CO[C@]1(C[N-]S(=O)(=O)c2cn(C)nc2Br)CCSC1 ZINC000921400929 666445508 /nfs/dbraw/zinc/44/55/08/666445508.db2.gz IQDDNXAJUDOYQW-JTQLQIEISA-N -1 3 370.294 0.983 10 0 FCAEHM CN(CCO)CCN(C)C(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000912610298 666462370 /nfs/dbraw/zinc/46/23/70/666462370.db2.gz COOWHLIMYJPMGW-UHFFFAOYSA-N -1 3 350.444 0.068 10 0 FCAEHM CCS(=O)(=O)c1ccccc1CC(=O)[N-]OCCN1CCCC1=O ZINC000912628457 666463801 /nfs/dbraw/zinc/46/38/01/666463801.db2.gz BYJGSDDXMQXDCD-UHFFFAOYSA-N -1 3 354.428 0.693 10 0 FCAEHM COc1cc(C(=O)NC23CCN(CC2)C3)cc([N-]S(C)(=O)=O)c1OC ZINC000913631427 666637378 /nfs/dbraw/zinc/63/73/78/666637378.db2.gz VJPLYZJZWWDXMD-UHFFFAOYSA-N -1 3 369.443 0.653 10 0 FCAEHM CCS(=O)(=O)NCCOC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000731710861 666835587 /nfs/dbraw/zinc/83/55/87/666835587.db2.gz XXSGVXJIXPMYDY-CYBMUJFWSA-N -1 3 370.427 0.479 10 0 FCAEHM CO[C@H](C[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)C(F)(F)F ZINC000733320310 666855352 /nfs/dbraw/zinc/85/53/52/666855352.db2.gz JEKSNBOFOCXALC-SNVBAGLBSA-N -1 3 361.363 0.946 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CCS(=O)(=O)NC(C)(C)C ZINC000917877536 667089130 /nfs/dbraw/zinc/08/91/30/667089130.db2.gz PJOYDSAVGKNTBN-UHFFFAOYSA-N -1 3 372.900 0.378 10 0 FCAEHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C1CC(N2CCOCC2)C1 ZINC000918308175 667110072 /nfs/dbraw/zinc/11/00/72/667110072.db2.gz RQUYHBHYHCQVQS-UHFFFAOYSA-N -1 3 372.418 0.754 10 0 FCAEHM O=S(=O)([N-]CC12COCCN1CCOC2)c1cc(F)c(F)c(F)c1 ZINC000918397215 667118117 /nfs/dbraw/zinc/11/81/17/667118117.db2.gz YBBHYQKQVIUEAS-UHFFFAOYSA-N -1 3 366.361 0.483 10 0 FCAEHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](CO)CN1CCOCC1 ZINC000918978702 667145012 /nfs/dbraw/zinc/14/50/12/667145012.db2.gz ARPBBRBALBUIMC-CYBMUJFWSA-N -1 3 372.418 0.852 10 0 FCAEHM CN1CCC[C@@H](NC(=O)N[N-]C(=O)c2csc(N3CCOCC3)n2)C1 ZINC000052589816 667201571 /nfs/dbraw/zinc/20/15/71/667201571.db2.gz GWQDTJZVAVSCOH-LLVKDONJSA-N -1 3 368.463 0.018 10 0 FCAEHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]CC[C@@H]1CC(=O)N(C)C1 ZINC000921069864 667265239 /nfs/dbraw/zinc/26/52/39/667265239.db2.gz VSQPGXBMFSUSDC-SNVBAGLBSA-N -1 3 358.391 0.759 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CC[C@@H]2CC(=O)N(C)C2)c(Br)n1 ZINC000921047192 667265706 /nfs/dbraw/zinc/26/57/06/667265706.db2.gz DXUXKQHMMHCOQI-MRVPVSSYSA-N -1 3 365.253 0.329 10 0 FCAEHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]CC[C@H]2CC(=O)N(C)C2)c1 ZINC000921083515 667267965 /nfs/dbraw/zinc/26/79/65/667267965.db2.gz PINBODCWMPVACI-JTQLQIEISA-N -1 3 358.391 0.759 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-][C@@H]1CON(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000921756921 667475799 /nfs/dbraw/zinc/47/57/99/667475799.db2.gz ZNNRGCGLUFPVRS-RYUDHWBXSA-N -1 3 350.437 0.882 10 0 FCAEHM CCCCC[C@H]([N-]S(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)OC ZINC000751988444 667498803 /nfs/dbraw/zinc/49/88/03/667498803.db2.gz KMDRTPASBYZUOF-LBPRGKRZSA-N -1 3 355.478 0.605 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@H](C(N)=O)C2)ccc1F ZINC000752416159 667515033 /nfs/dbraw/zinc/51/50/33/667515033.db2.gz FASRGNPDRWJZDL-ONGXEEELSA-N -1 3 357.407 0.508 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCC[C@@H](O)C(F)(F)F)ccc1F ZINC000752628474 667523620 /nfs/dbraw/zinc/52/36/20/667523620.db2.gz BNIYWMJKVHJUFQ-SNVBAGLBSA-N -1 3 358.313 0.777 10 0 FCAEHM CCC1(CC)CNC(=O)[C@@H]1[N-]S(=O)(=O)C[C@]1(OC(C)C)CCOC1 ZINC000922037387 667572387 /nfs/dbraw/zinc/57/23/87/667572387.db2.gz BFTPRLZJOVZZBP-BBRMVZONSA-N -1 3 362.492 0.795 10 0 FCAEHM C[C@]12CN(CCS(=O)(=O)CC(=O)[O-])C[C@H]1CN(Cc1ccccc1)C2 ZINC000702107106 667747024 /nfs/dbraw/zinc/74/70/24/667747024.db2.gz JNGFWDSIRSVZSF-FUHWJXTLSA-N -1 3 366.483 0.940 10 0 FCAEHM C[C@H](CC(=O)NCc1ccn(C)n1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000765914794 668016925 /nfs/dbraw/zinc/01/69/25/668016925.db2.gz PMBQBLYLZRSCNF-SNVBAGLBSA-N -1 3 371.850 0.842 10 0 FCAEHM C[C@@H](CO[N-]C(=O)CCC(=O)N1CCOCC1)NC(=O)OC(C)(C)C ZINC000767178877 668046895 /nfs/dbraw/zinc/04/68/95/668046895.db2.gz NRHIJIOMXSXALI-LBPRGKRZSA-N -1 3 359.423 0.586 10 0 FCAEHM O=C(CCS(=O)(=O)[N-]C[C@H](O)C(F)(F)F)OCc1ccccc1 ZINC000767263769 668048491 /nfs/dbraw/zinc/04/84/91/668048491.db2.gz ZDUJYTVUARXQGJ-NSHDSACASA-N -1 3 355.334 0.963 10 0 FCAEHM C[C@@H]1OCC[C@@H]1S(=O)(=O)[N-]N1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC000767542592 668055433 /nfs/dbraw/zinc/05/54/33/668055433.db2.gz UKEQEDOXVCVIDJ-ITDIGPHOSA-N -1 3 353.400 0.465 10 0 FCAEHM CCOCCO[N-]C(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1 ZINC000773918539 668111734 /nfs/dbraw/zinc/11/17/34/668111734.db2.gz PEYXBKMLFULXDE-UHFFFAOYSA-N -1 3 350.368 0.109 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(C(=O)NCC[S@](=O)CC)CC2)n[n-]1 ZINC000770682014 668210084 /nfs/dbraw/zinc/21/00/84/668210084.db2.gz LQCLZRSECDWSCK-RUZDIDTESA-N -1 3 371.463 0.639 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(C(=O)NCC[S@](=O)CC)CC2)[n-]1 ZINC000770682014 668210087 /nfs/dbraw/zinc/21/00/87/668210087.db2.gz LQCLZRSECDWSCK-RUZDIDTESA-N -1 3 371.463 0.639 10 0 FCAEHM CC[S@@](=O)CCNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000771181290 668242548 /nfs/dbraw/zinc/24/25/48/668242548.db2.gz NZJBTMDICDGHAD-HXUWFJFHSA-N -1 3 372.465 0.244 10 0 FCAEHM CCN1CCN(c2ccc(C(=O)[N-]S(=O)(=O)CCOC)cc2)CC1 ZINC000777318412 668319509 /nfs/dbraw/zinc/31/95/09/668319509.db2.gz PKSBSWILCQOEEI-UHFFFAOYSA-N -1 3 355.460 0.535 10 0 FCAEHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]Cc2cc(C(N)=O)co2)c1F ZINC000778108242 668350630 /nfs/dbraw/zinc/35/06/30/668350630.db2.gz VNSBUUKPQDFYBW-UHFFFAOYSA-N -1 3 374.321 0.922 10 0 FCAEHM COc1nnc(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)[n-]1 ZINC000778955583 668401091 /nfs/dbraw/zinc/40/10/91/668401091.db2.gz MKMUEUQKYDLORP-UHFFFAOYSA-N -1 3 363.355 0.373 10 0 FCAEHM COc1nc(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)n[n-]1 ZINC000778955583 668401095 /nfs/dbraw/zinc/40/10/95/668401095.db2.gz MKMUEUQKYDLORP-UHFFFAOYSA-N -1 3 363.355 0.373 10 0 FCAEHM COc1n[n-]c(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)n1 ZINC000778955583 668401098 /nfs/dbraw/zinc/40/10/98/668401098.db2.gz MKMUEUQKYDLORP-UHFFFAOYSA-N -1 3 363.355 0.373 10 0 FCAEHM O=C(c1ccccc1)N1CC(S(=O)(=O)[N-]Cc2nc(C3CC3)no2)C1 ZINC000779619699 668431545 /nfs/dbraw/zinc/43/15/45/668431545.db2.gz KYLCVPPDAZOYQH-UHFFFAOYSA-N -1 3 362.411 0.891 10 0 FCAEHM Cn1cc(CNC(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)nn1 ZINC000783618904 668623797 /nfs/dbraw/zinc/62/37/97/668623797.db2.gz QBRUHBDLKBLSQK-UHFFFAOYSA-N -1 3 371.369 0.464 10 0 FCAEHM C[C@@H](CC(=O)NCc1cn(C)nn1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000783618984 668624163 /nfs/dbraw/zinc/62/41/63/668624163.db2.gz QTIUKTSYSTWKDX-VIFPVBQESA-N -1 3 372.838 0.237 10 0 FCAEHM C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)[N-]OCCO ZINC000787300389 668793799 /nfs/dbraw/zinc/79/37/99/668793799.db2.gz YVQQNLLYUDEMHT-VIFPVBQESA-N -1 3 366.233 0.899 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)OCCC2CS(=O)(=O)C2)ccc1F ZINC000790660265 668880250 /nfs/dbraw/zinc/88/02/50/668880250.db2.gz JCVRFHGAOOFHJV-UHFFFAOYSA-N -1 3 365.404 0.325 10 0 FCAEHM O=C([N-]C[C@H]1CCCN(C(=O)[C@@H](O)C2CCOCC2)C1)C(F)(F)F ZINC000793470415 668929329 /nfs/dbraw/zinc/92/93/29/668929329.db2.gz XZGKTUGNZJNIBY-PWSUYJOCSA-N -1 3 352.353 0.691 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](CO)c2cccnc2)ccc1F ZINC000807851003 669521133 /nfs/dbraw/zinc/52/11/33/669521133.db2.gz NDHZMOSZSZPCNN-ZDUSSCGKSA-N -1 3 367.402 0.635 10 0 FCAEHM CN1CC[C@@H](C(=O)OCc2noc(-c3ccccc3[O-])n2)S1(=O)=O ZINC000830159391 669759235 /nfs/dbraw/zinc/75/92/35/669759235.db2.gz XLYDIOFBNIVQBY-NSHDSACASA-N -1 3 353.356 0.519 10 0 FCAEHM COC(=O)[C@H](CF)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000813689069 669849212 /nfs/dbraw/zinc/84/92/12/669849212.db2.gz CXCWUSKSWXSASP-NSHDSACASA-N -1 3 362.354 0.507 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CCN2CCCOCC2)c(Br)n1 ZINC000867156797 670023340 /nfs/dbraw/zinc/02/33/40/670023340.db2.gz YYRQGZAJRIEQFP-UHFFFAOYSA-N -1 3 367.269 0.183 10 0 FCAEHM Cc1cc(C)c(N2CC[C@@H]([N-]S(=O)(=O)c3nncn3C)C2=O)c(C)c1 ZINC000867177963 670051923 /nfs/dbraw/zinc/05/19/23/670051923.db2.gz FHBNTGGQAGJOFS-CYBMUJFWSA-N -1 3 363.443 0.824 10 0 FCAEHM Cn1ccc(NC(=O)C[N-]S(=O)(=O)C[C@]2(C)CC2(Cl)Cl)n1 ZINC000867194610 670061075 /nfs/dbraw/zinc/06/10/75/670061075.db2.gz AGTGJICNXLWHMS-JTQLQIEISA-N -1 3 355.247 0.862 10 0 FCAEHM COC[C@@H]([N-]S(=O)(=O)c1cn(C)nc1Br)[C@H]1CCCO1 ZINC000867207598 670074832 /nfs/dbraw/zinc/07/48/32/670074832.db2.gz SDWWDTLISFTPKR-RKDXNWHRSA-N -1 3 368.253 0.655 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]C[C@@H](CO)[C@H]2CCOC2)c(Br)n1 ZINC000867220996 670087597 /nfs/dbraw/zinc/08/75/97/670087597.db2.gz VEHMJENOEWMWAF-IUCAKERBSA-N -1 3 368.253 0.106 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CC2([S@@](C)=O)CCC2)c(Br)n1 ZINC000867223099 670088945 /nfs/dbraw/zinc/08/89/45/670088945.db2.gz COHQYLZXSZHRMM-GOSISDBHSA-N -1 3 370.294 0.762 10 0 FCAEHM C[C@H](O)[C@@H]1CN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CCO1 ZINC000840565797 670511604 /nfs/dbraw/zinc/51/16/04/670511604.db2.gz LJNLBMFGZXAMHH-HZMBPMFUSA-N -1 3 372.418 0.488 10 0 FCAEHM Cn1nccc1[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000841544278 670587763 /nfs/dbraw/zinc/58/77/63/670587763.db2.gz KFACMDYQFNPXIE-SSDOTTSWSA-N -1 3 361.836 0.795 10 0 FCAEHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@H]1CNCCC1(F)F ZINC000842893203 670752458 /nfs/dbraw/zinc/75/24/58/670752458.db2.gz JIRHCQKZGKOAGT-QMMMGPOBSA-N -1 3 369.777 0.797 10 0 FCAEHM CN1CCO[C@@H](CS(=O)(=O)[N-]Cc2cc(Br)no2)C1 ZINC000867322902 670781762 /nfs/dbraw/zinc/78/17/62/670781762.db2.gz GZOYKJKAZYDXJZ-SECBINFHSA-N -1 3 354.226 0.187 10 0 FCAEHM CO[C@@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867346287 670895545 /nfs/dbraw/zinc/89/55/45/670895545.db2.gz XLNVFVZEBXIVSY-RKDXNWHRSA-N -1 3 368.253 0.512 10 0 FCAEHM CC(=O)C1([N-]S(=O)(=O)c2cnn(C)c2I)CC1 ZINC000867393943 671034566 /nfs/dbraw/zinc/03/45/66/671034566.db2.gz ORTDZZHMGJKHRZ-UHFFFAOYSA-N -1 3 369.184 0.425 10 0 FCAEHM COC(=O)C[C@]1([N-]S(=O)(=O)CC2(OC)CCOCC2)CCCOC1 ZINC000845909665 671050131 /nfs/dbraw/zinc/05/01/31/671050131.db2.gz DLGMJALVBAJJMC-CQSZACIVSA-N -1 3 365.448 0.214 10 0 FCAEHM COC(=O)CC1([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)OC)CC1 ZINC000845972952 671059510 /nfs/dbraw/zinc/05/95/10/671059510.db2.gz SDFBWIGIWYIWHH-UHFFFAOYSA-N -1 3 362.791 0.896 10 0 FCAEHM NC(=O)[C@H]1C[C@@H](NC(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)C1 ZINC000846439475 671110378 /nfs/dbraw/zinc/11/03/78/671110378.db2.gz SPOWLLYJTVEFAF-OTSSQURYSA-N -1 3 373.381 0.399 10 0 FCAEHM C[C@@H](CC(=O)N[C@H]1C[C@@H](C(N)=O)C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000846439692 671110821 /nfs/dbraw/zinc/11/08/21/671110821.db2.gz YJQCVLPIWQHCQS-LPEHRKFASA-N -1 3 374.850 0.172 10 0 FCAEHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]C2(CC(N)=O)CCC2)c1 ZINC000848446015 671275705 /nfs/dbraw/zinc/27/57/05/671275705.db2.gz WASNCDMPYBMBTH-UHFFFAOYSA-N -1 3 358.391 0.997 10 0 FCAEHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C[C@@](C)(CO)OC)c1F ZINC000848467398 671278891 /nfs/dbraw/zinc/27/88/91/671278891.db2.gz OPYUDMVLOUWVTG-ZDUSSCGKSA-N -1 3 353.343 0.427 10 0 FCAEHM CC(=O)Nc1ncc(S(=O)(=O)[N-]C[C@H]2CN(C3CC3)C(=O)O2)s1 ZINC000848513114 671282962 /nfs/dbraw/zinc/28/29/62/671282962.db2.gz LVGJTIGUIOXSFR-VIFPVBQESA-N -1 3 360.417 0.363 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CCN1C[C@H](C)OC[C@@H]1C ZINC000849429693 671342396 /nfs/dbraw/zinc/34/23/96/671342396.db2.gz UMDWXBCFQAEICC-UWVGGRQHSA-N -1 3 350.872 0.769 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CCN1C[C@H](C)OC[C@H]1C ZINC000849429695 671342492 /nfs/dbraw/zinc/34/24/92/671342492.db2.gz UMDWXBCFQAEICC-ZJUUUORDSA-N -1 3 350.872 0.769 10 0 FCAEHM CS(=O)(=O)c1cc(S(=O)(=O)[N-]C[C@@H]2CCC(=O)N2)c(Cl)s1 ZINC000849469806 671350617 /nfs/dbraw/zinc/35/06/17/671350617.db2.gz PSXCJFSGRIZGHQ-LURJTMIESA-N -1 3 372.877 0.362 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)OC[C@@H](OC)[C@H]2CCOC2)ccc1F ZINC000849739374 671361385 /nfs/dbraw/zinc/36/13/85/671361385.db2.gz AYPDTYASBIPWSK-WCQYABFASA-N -1 3 361.391 0.942 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCc3nccnc3C2)ccc1F ZINC000856242122 671680924 /nfs/dbraw/zinc/68/09/24/671680924.db2.gz QMDKHZNCRBCNNW-UHFFFAOYSA-N -1 3 350.375 0.722 10 0 FCAEHM O=S(=O)([N-]CC[C@@H]1CNCCS1(=O)=O)c1cc(F)c(F)c(F)c1 ZINC000903540167 675940679 /nfs/dbraw/zinc/94/06/79/675940679.db2.gz BARIGEVBTVSLEJ-MRVPVSSYSA-N -1 3 372.390 0.159 10 0 FCAEHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C[C@@H]2COCCN2C)c1F ZINC000859336364 671816238 /nfs/dbraw/zinc/81/62/38/671816238.db2.gz OGZZYBMLXDZHBC-SECBINFHSA-N -1 3 364.370 0.360 10 0 FCAEHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C[C@H]2COCCN2C)c1F ZINC000859336367 671816332 /nfs/dbraw/zinc/81/63/32/671816332.db2.gz OGZZYBMLXDZHBC-VIFPVBQESA-N -1 3 364.370 0.360 10 0 FCAEHM COC(=O)[C@H](C[C@H]1CCCOC1)[N-]S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000859342035 671817774 /nfs/dbraw/zinc/81/77/74/671817774.db2.gz MKZURMBFGIQGHN-ZJUUUORDSA-N -1 3 365.839 0.710 10 0 FCAEHM CS(=O)(=O)CCS(=O)(=O)[N-]CC(=O)c1ccc(F)cc1Cl ZINC000859385510 671822002 /nfs/dbraw/zinc/82/20/02/671822002.db2.gz VEJYBXOMECAUCA-UHFFFAOYSA-N -1 3 357.812 0.626 10 0 FCAEHM CCO[C@H](COC(=O)c1ccc(S(=O)(=O)[N-]CCO)s1)C1CC1 ZINC000859565505 671837330 /nfs/dbraw/zinc/83/73/30/671837330.db2.gz LUAVZNOBOGBHET-LLVKDONJSA-N -1 3 363.457 0.991 10 0 FCAEHM C[C@@H](CS(=O)(=O)N(C)C)OC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000861148409 671942006 /nfs/dbraw/zinc/94/20/06/671942006.db2.gz BXQVVPSBVKYHSL-JTQLQIEISA-N -1 3 364.445 0.495 10 0 FCAEHM CO[C@H]1CN(C)[C@](C)(COC(=O)c2ccc([N-]S(C)(=O)=O)nc2)C1 ZINC000861358710 671956733 /nfs/dbraw/zinc/95/67/33/671956733.db2.gz YUAXBTOMHZSBTN-DOMZBBRYSA-N -1 3 357.432 0.719 10 0 FCAEHM C[C@H](CC(=O)N[C@H]1C[C@H](C(N)=O)C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000862819743 672079579 /nfs/dbraw/zinc/07/95/79/672079579.db2.gz YJQCVLPIWQHCQS-OPRDCNLKSA-N -1 3 374.850 0.172 10 0 FCAEHM O=C(N[C@H]1COCCC1=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000862934474 672088079 /nfs/dbraw/zinc/08/80/79/672088079.db2.gz PZORZNXTVUHXFF-LBPRGKRZSA-N -1 3 356.375 0.354 10 0 FCAEHM CN(C)S(=O)(=O)N1CC([N-]C(=O)C(F)(F)c2c(F)cccc2F)C1 ZINC000863544732 672135257 /nfs/dbraw/zinc/13/52/57/672135257.db2.gz COBICNKVAZWBBC-UHFFFAOYSA-N -1 3 369.340 0.663 10 0 FCAEHM CS(=O)(=O)NC[C@@H]1COCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000863552499 672137145 /nfs/dbraw/zinc/13/71/45/672137145.db2.gz SKXAMGHRZSCLIB-CQSZACIVSA-N -1 3 364.423 0.936 10 0 FCAEHM CNS(=O)(=O)C[C@H]1CCCN(C(=O)c2cc3c(cc2[O-])OCO3)C1 ZINC000863824523 672155897 /nfs/dbraw/zinc/15/58/97/672155897.db2.gz FYRSNFFUPPNRAT-JTQLQIEISA-N -1 3 356.400 0.522 10 0 FCAEHM CNS(=O)(=O)C[C@@H]1CCCN(C(=O)c2cc3c(cc2[O-])OCO3)C1 ZINC000863824525 672155933 /nfs/dbraw/zinc/15/59/33/672155933.db2.gz FYRSNFFUPPNRAT-SNVBAGLBSA-N -1 3 356.400 0.522 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCN(C3CCC3)C2=O)ccc1F ZINC000863840276 672159569 /nfs/dbraw/zinc/15/95/69/672159569.db2.gz STCZLBGCNFCBPU-ZDUSSCGKSA-N -1 3 369.418 0.617 10 0 FCAEHM COC(=O)c1ccoc1S(=O)(=O)[N-]CCCCN1CCN(C)CC1 ZINC000866485731 672277395 /nfs/dbraw/zinc/27/73/95/672277395.db2.gz WKIJIEFRTRMFSL-UHFFFAOYSA-N -1 3 359.448 0.372 10 0 FCAEHM C[C@@H](CN1CCOCC1)[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000866500303 672278558 /nfs/dbraw/zinc/27/85/58/672278558.db2.gz UPLNTTNXXDIOGV-VIFPVBQESA-N -1 3 367.269 0.182 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-]C[C@@H]2CN3CCC[C@@H]3CO2)c1C(F)(F)F ZINC000866674857 672286359 /nfs/dbraw/zinc/28/63/59/672286359.db2.gz FLTRVUCLFXOTPL-NXEZZACHSA-N -1 3 368.381 0.580 10 0 FCAEHM CC[S@](C)(=O)=NS(=O)(=O)[N-]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000866794205 672306907 /nfs/dbraw/zinc/30/69/07/672306907.db2.gz UKFZTCJZDHWYJQ-ZSEKCTLFSA-N -1 3 353.510 0.582 10 0 FCAEHM CC[C@@H]([N-]S(=O)(=O)c1cn(C)nc1Br)C(OC)OC ZINC000867493260 672325598 /nfs/dbraw/zinc/32/55/98/672325598.db2.gz HHVOBCRYEGGXPH-SSDOTTSWSA-N -1 3 356.242 0.858 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@H]2C[C@@H](O)C23CCC3)c(Br)n1 ZINC000867519010 672329915 /nfs/dbraw/zinc/32/99/15/672329915.db2.gz MDNKDRUEKCMGFD-DTWKUNHWSA-N -1 3 350.238 0.764 10 0 FCAEHM CCOC(=O)[C@]1(C[N-]S(=O)(=O)c2cn(C)c(Cl)n2)CCCOC1 ZINC000867660977 672353457 /nfs/dbraw/zinc/35/34/57/672353457.db2.gz CJXDRFXJLCORMP-ZDUSSCGKSA-N -1 3 365.839 0.712 10 0 FCAEHM O=C1OC[C@@]2(C[N-]S(=O)(=O)c3cnc(Cl)c(F)c3)COCCN12 ZINC000867748459 672362383 /nfs/dbraw/zinc/36/23/83/672362383.db2.gz HBYFJHUTKLQNIT-GFCCVEGCSA-N -1 3 365.770 0.374 10 0 FCAEHM COC(=O)[C@H](CCC1OCCO1)[N-]S(=O)(=O)CCc1ccccc1 ZINC000867762556 672364642 /nfs/dbraw/zinc/36/46/42/672364642.db2.gz FOHSXRCDLYKYQE-AWEZNQCLSA-N -1 3 357.428 0.843 10 0 FCAEHM Cn1cnnc1S(=O)(=O)[N-][C@H]1COc2cccc(Br)c2C1 ZINC000867836641 672373111 /nfs/dbraw/zinc/37/31/11/672373111.db2.gz BAMOMJZWVFYLEG-MRVPVSSYSA-N -1 3 373.232 0.860 10 0 FCAEHM O=C(COC(=O)[C@H]1OCCO[C@H]1C(F)(F)F)[N-]C(=O)c1cccs1 ZINC000869648360 672444666 /nfs/dbraw/zinc/44/46/66/672444666.db2.gz SNNJUIXLBOIMSY-VHSXEESVSA-N -1 3 367.301 0.894 10 0 FCAEHM C[C@H]1[C@H](NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2[O-])CCN1C ZINC000928457689 673911194 /nfs/dbraw/zinc/91/11/94/673911194.db2.gz XRGIGSBKJILVAO-SWLSCSKDSA-N -1 3 367.471 0.999 10 0 FCAEHM CS(=O)(=O)N1CC(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000929872238 673981981 /nfs/dbraw/zinc/98/19/81/673981981.db2.gz CHGHZQCRKYGBTE-UHFFFAOYSA-N -1 3 353.444 0.041 10 0 FCAEHM COCCOCCOCCN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000929992322 673990608 /nfs/dbraw/zinc/99/06/08/673990608.db2.gz PWTBCNPDWZATBX-UHFFFAOYSA-N -1 3 352.431 0.830 10 0 FCAEHM O=C(c1nc[n-]c(=O)c1Br)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC001626345657 1167851004 /nfs/dbraw/zinc/85/10/04/1167851004.db2.gz LNMTWZGUDFQTNG-ZJUUUORDSA-N -1 3 371.235 0.616 10 0 FCAEHM Cn1[n-]c(CN[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccncc2)C2CC2)nc1=O ZINC001266409780 1168404731 /nfs/dbraw/zinc/40/47/31/1168404731.db2.gz QTFGYHBDDIOJGZ-RRFJBIMHSA-N -1 3 356.430 0.292 10 0 FCAEHM C[C@@H](CC(N)=O)C(=O)N1C[C@@H]2CN(C(=O)c3ccccc3[O-])CC[C@@H]2C1 ZINC001719580352 1168432379 /nfs/dbraw/zinc/43/23/79/1168432379.db2.gz DHUTVWSNFLKHTH-MJBXVCDLSA-N -1 3 359.426 0.824 10 0 FCAEHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCN(C(=O)c2c(C)nc[n-]c2=O)[C@@H]1C ZINC001719629449 1170849387 /nfs/dbraw/zinc/84/93/87/1170849387.db2.gz RWBFCOPMLXXDMI-PWSUYJOCSA-N -1 3 363.418 0.125 10 0 FCAEHM COCCN(CCOC)C1CN(C(=O)c2cc(OC)c([O-])c(OC)c2)C1 ZINC000898254722 1192864542 /nfs/dbraw/zinc/86/45/42/1192864542.db2.gz FEGMXDKTGCVCBH-UHFFFAOYSA-N -1 3 368.430 0.829 10 0 FCAEHM COCC(C)(C)C(=O)N1C[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@]2(C)C1 ZINC001719685896 1179371958 /nfs/dbraw/zinc/37/19/58/1179371958.db2.gz VPAJYXZUWUXMPT-KPZWWZAWSA-N -1 3 362.430 0.775 10 0 FCAEHM C[C@@H]1CN(C(=O)c2nnc3ccccc3c2[O-])C[C@H]1CNC(=O)CC(N)=O ZINC001719704592 1179567424 /nfs/dbraw/zinc/56/74/24/1179567424.db2.gz OUNUNRSMSYEVFE-GHMZBOCLSA-N -1 3 371.397 0.035 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CNC(=O)Cc1cncs1 ZINC001719716133 1179740088 /nfs/dbraw/zinc/74/00/88/1179740088.db2.gz KTQLUKGRCHSAFS-GHMZBOCLSA-N -1 3 361.427 0.706 10 0 FCAEHM COC[C@@H](C)C(=O)NCC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001719746246 1179870128 /nfs/dbraw/zinc/87/01/28/1179870128.db2.gz DXOLOBSXAZSSTO-JHJVBQTASA-N -1 3 350.419 0.679 10 0 FCAEHM C[C@@H]1CN(C(=O)C[C@@H]2CCOC2)C[C@H]1CCNC(=O)c1cnc[n-]c1=O ZINC001719759269 1179899915 /nfs/dbraw/zinc/89/99/15/1179899915.db2.gz CUJNVZQLKBQLKB-HZSPNIEDSA-N -1 3 362.430 0.823 10 0 FCAEHM Cn1[n-]c(CN2CC[C@H](CCNC(=O)[C@@H]3C[C@H]3c3cccnc3)C2)nc1=O ZINC001267565760 1181844943 /nfs/dbraw/zinc/84/49/43/1181844943.db2.gz UEOMQSNRVVJWFY-CWRNSKLLSA-N -1 3 370.457 0.635 10 0 FCAEHM Cn1[n-]c(CNC[C@](C)(NC(=O)[C@@H]2CCO[C@H]2C2CC2)C2CC2)nc1=O ZINC001267855206 1183115337 /nfs/dbraw/zinc/11/53/37/1183115337.db2.gz DIFMWHKUQFXACM-XUWXXGDYSA-N -1 3 363.462 0.298 10 0 FCAEHM COCC1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2c(C)nc[n-]c2=O)C3)CC1 ZINC001719856489 1186523998 /nfs/dbraw/zinc/52/39/98/1186523998.db2.gz VVGGAJFCRFZJLE-AGIUHOORSA-N -1 3 360.414 0.779 10 0 FCAEHM CC(C)C[C@@H](CNCc1nc(=O)n(C)[n-]1)NC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001482388910 1188392826 /nfs/dbraw/zinc/39/28/26/1188392826.db2.gz FPDFHUZQZRMGAA-LZWOXQAQSA-N -1 3 365.478 0.544 10 0 FCAEHM COCCO[C@@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc[n-]c1=O)C2 ZINC001719907042 1191008326 /nfs/dbraw/zinc/00/83/26/1191008326.db2.gz GRRSZLBUCIMKCH-UNJBNNCHSA-N -1 3 364.402 0.095 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)c3c4c(nn3C)CCSC4)CC2)n1 ZINC000899494135 1194162393 /nfs/dbraw/zinc/16/23/93/1194162393.db2.gz REQSWFCFRZGHSE-UHFFFAOYSA-N -1 3 374.470 0.976 10 0 FCAEHM COc1cccc([O-])c1C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000899981325 1194230971 /nfs/dbraw/zinc/23/09/71/1194230971.db2.gz QZUCAZNCYTVDJF-UHFFFAOYSA-N -1 3 363.414 0.017 10 0 FCAEHM O=C([O-])[C@@H](CF)NC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000908822296 1195768386 /nfs/dbraw/zinc/76/83/86/1195768386.db2.gz VVCNSVLZERILPU-MRXNPFEDSA-N -1 3 366.437 0.916 10 0 FCAEHM CN1CCN(c2cccc(C(=O)N3CC[C@H](c4cc(=O)[nH][n-]4)C3)n2)CC1 ZINC000911854937 1196317246 /nfs/dbraw/zinc/31/72/46/1196317246.db2.gz OKSVIBUWXAHQKV-ZDUSSCGKSA-N -1 3 356.430 0.892 10 0 FCAEHM CCNC(=O)NC(=O)COC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000046332298 1196612282 /nfs/dbraw/zinc/61/22/82/1196612282.db2.gz SFIKTQXXAIDQES-GFCCVEGCSA-N -1 3 363.370 0.386 10 0 FCAEHM Cn1ccnc(N2CCN(C(=O)c3nnc4ccccc4c3[O-])CC2)c1=O ZINC000744679685 1198325449 /nfs/dbraw/zinc/32/54/49/1198325449.db2.gz WZRXQFJCBXBEGW-UHFFFAOYSA-N -1 3 366.381 0.392 10 0 FCAEHM O=C(NCc1ncccc1[O-])C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000792413856 1201193686 /nfs/dbraw/zinc/19/36/86/1201193686.db2.gz SPVALAPHUBCQOG-UHFFFAOYSA-N -1 3 356.382 0.879 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001136653868 1203243872 /nfs/dbraw/zinc/24/38/72/1203243872.db2.gz KDVYHRGNRQBOEN-QWHCGFSZSA-N -1 3 368.434 0.641 10 0 FCAEHM C[C@@H](CO)N(C)C(=O)NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1 ZINC000824008079 1203280064 /nfs/dbraw/zinc/28/00/64/1203280064.db2.gz DOBCLNDBERPEJL-JTQLQIEISA-N -1 3 369.422 0.729 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCN(CCn3cncn3)CC2)c1 ZINC001136962457 1203304929 /nfs/dbraw/zinc/30/49/29/1203304929.db2.gz MMZNRCFCSIGYSB-UHFFFAOYSA-N -1 3 370.413 0.566 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@]1(Cc2ccccc2)CCN(C)C1=O ZINC001144232734 1204438007 /nfs/dbraw/zinc/43/80/07/1204438007.db2.gz HKTFCMWSDCVINK-KXBFYZLASA-N -1 3 356.426 0.706 10 0 FCAEHM CCN1C(=O)C[C@H](C(=O)NCCc2c(C)[n-][nH]c2=O)[C@H]1c1cccnc1 ZINC001144232915 1204438414 /nfs/dbraw/zinc/43/84/14/1204438414.db2.gz OBIAZCOQTAVCND-IJEWVQPXSA-N -1 3 357.414 0.619 10 0 FCAEHM COC(=O)CC1(NC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])CC1 ZINC000846392572 1204623389 /nfs/dbraw/zinc/62/33/89/1204623389.db2.gz HPEGMWGGLRJSBQ-UHFFFAOYSA-N -1 3 361.329 0.699 10 0 FCAEHM COC(=O)CC1(NC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)CC1 ZINC000846392572 1204623393 /nfs/dbraw/zinc/62/33/93/1204623393.db2.gz HPEGMWGGLRJSBQ-UHFFFAOYSA-N -1 3 361.329 0.699 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCC[C@@H](NC(=O)[C@H]3CCCn4ncnc43)C2)n1 ZINC001177879782 1206350572 /nfs/dbraw/zinc/35/05/72/1206350572.db2.gz PDYUKLWARGPIFW-OLZOCXBDSA-N -1 3 357.418 0.745 10 0 FCAEHM COC(=O)[C@@H]1CO[C@H](CCC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)C1 ZINC001180028891 1206388043 /nfs/dbraw/zinc/38/80/43/1206388043.db2.gz VXSXQOJLSUKBNC-RWMBFGLXSA-N -1 3 364.402 0.235 10 0 FCAEHM O=C(CCC(=O)N1CCOCC1)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001180221636 1206389800 /nfs/dbraw/zinc/38/98/00/1206389800.db2.gz KSOFQJJMXNSNJS-HDJSIYSDSA-N -1 3 362.430 0.964 10 0 FCAEHM Cn1nccc1[C@H]1C[C@@H](NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)CCO1 ZINC001183468513 1206453909 /nfs/dbraw/zinc/45/39/09/1206453909.db2.gz GHOCCHGKLLGVBX-XHDPSFHLSA-N -1 3 354.366 0.954 10 0 FCAEHM Cn1cc(C(=O)NC[C@@H]2CCCN2Cc2nc3c(c(=O)[n-]2)COCC3)cn1 ZINC001196781711 1208108900 /nfs/dbraw/zinc/10/89/00/1208108900.db2.gz GNZGFMNLHLDRQO-ZDUSSCGKSA-N -1 3 372.429 0.383 10 0 FCAEHM CNC(=O)c1cccc(NC(=O)[C@H](C)N2CCC(Cc3nn[n-]n3)CC2)c1 ZINC001197451889 1208168210 /nfs/dbraw/zinc/16/82/10/1208168210.db2.gz ZEUWRHFWTTXGAK-LBPRGKRZSA-N -1 3 371.445 0.841 10 0 FCAEHM CCc1cc2c(CN3CCN4CCOC[C@@]4(CO)C3)cc(=O)oc2cc1[O-] ZINC001198164121 1208225833 /nfs/dbraw/zinc/22/58/33/1208225833.db2.gz CPGSGWMUNOPAJI-FQEVSTJZSA-N -1 3 374.437 0.940 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)NC[C@H](C1CC1)N(C)C(=O)c1cnc[n-]c1=O ZINC001487660736 1208388168 /nfs/dbraw/zinc/38/81/68/1208388168.db2.gz AEOCYOPJRSNCGX-YUELXQCFSA-N -1 3 362.430 0.964 10 0 FCAEHM C[C@@H](CN(C)C(=O)c1cnc[n-]c1=O)NC(=O)[C@@H]1C[C@H]1c1ccnn1C ZINC001487813730 1208399178 /nfs/dbraw/zinc/39/91/78/1208399178.db2.gz MXTZZJLCEMFXRF-QJPTWQEYSA-N -1 3 358.402 0.296 10 0 FCAEHM CN(C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1C(C)(C)C)C(=O)c1cnc[n-]c1=O ZINC001488433874 1208522063 /nfs/dbraw/zinc/52/20/63/1208522063.db2.gz BBSFWOGVYZADIG-YRGRVCCFSA-N -1 3 364.446 0.756 10 0 FCAEHM CNC(=O)[C@@H](C)NCc1cc(=O)[n-]c(CNC(=O)C[C@@H]2C[C@H]2C2CC2)n1 ZINC001489078596 1208619822 /nfs/dbraw/zinc/61/98/22/1208619822.db2.gz IQUVEECDZISVIX-OSMZGAPFSA-N -1 3 361.446 0.459 10 0 FCAEHM CN(C)C(=O)C1(C(=O)N2C[C@@H]3CCN(C(=O)c4ccccc4[O-])[C@@H]3C2)CC1 ZINC001489206337 1208670277 /nfs/dbraw/zinc/67/02/77/1208670277.db2.gz JVXLYLQECOVNHJ-DZGCQCFKSA-N -1 3 371.437 0.934 10 0 FCAEHM CC(C)COCCC(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1O ZINC001489297539 1208728704 /nfs/dbraw/zinc/72/87/04/1208728704.db2.gz DCILVCGNPDLSTD-GDBMZVCRSA-N -1 3 350.415 0.756 10 0 FCAEHM C[C@@H]1CN(C(=O)CCCn2ccnc2)C[C@H]1NC(=O)c1cnc[n-]c1=O ZINC001489463448 1208847489 /nfs/dbraw/zinc/84/74/89/1208847489.db2.gz GSPLGZMLOPWBEB-TZMCWYRMSA-N -1 3 358.402 0.436 10 0 FCAEHM CCO[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cnc[n-]c2=O)C1)C(C)C ZINC001489463470 1208847498 /nfs/dbraw/zinc/84/74/98/1208847498.db2.gz HSFANIMQJHQKLP-BNOWGMLFSA-N -1 3 350.419 0.820 10 0 FCAEHM CCO[C@H](CC)C(=O)N1C[C@@H](NC(=O)c2c(C)nc[n-]c2=O)[C@H](OC)C1 ZINC001489537391 1208898227 /nfs/dbraw/zinc/89/82/27/1208898227.db2.gz BDFQYQUWMWWFMT-JHJVBQTASA-N -1 3 366.418 0.261 10 0 FCAEHM CCOCCC1(C(=O)N2C[C@@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)CCCC1 ZINC001489599321 1209025346 /nfs/dbraw/zinc/02/53/46/1209025346.db2.gz LRCKMMFUVQCHJJ-KGLIPLIRSA-N -1 3 365.434 0.093 10 0 FCAEHM CCN(C)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)c3n[nH]c(C)c3[O-])[C@@H]2C1 ZINC001489645397 1209073034 /nfs/dbraw/zinc/07/30/34/1209073034.db2.gz NJCCKIBXTPMVKE-CHWSQXEVSA-N -1 3 363.462 0.827 10 0 FCAEHM O=C(NCc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)n1)C(F)F ZINC001489970505 1209185782 /nfs/dbraw/zinc/18/57/82/1209185782.db2.gz RSRBYCUROYLGJT-BBBLOLIVSA-N -1 3 356.329 0.247 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCO2)C1 ZINC001490381933 1209329786 /nfs/dbraw/zinc/32/97/86/1209329786.db2.gz MJQPEKBVIJEDAQ-BNOWGMLFSA-N -1 3 362.430 0.884 10 0 FCAEHM C[C@H](OCC1CC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O ZINC001490757140 1209424124 /nfs/dbraw/zinc/42/41/24/1209424124.db2.gz IFPZTOBFFUPMTD-BTQDYEIMSA-N -1 3 360.414 0.859 10 0 FCAEHM NC(=O)NC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccccc2[O-])CC1 ZINC001490781491 1209429710 /nfs/dbraw/zinc/42/97/10/1209429710.db2.gz PTCODBBUWZHCAF-RTXFEEFZSA-N -1 3 358.398 0.455 10 0 FCAEHM O=C([N-][C@@H]1CN(C(=O)C2(O)CNC2)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC000854016077 1209613515 /nfs/dbraw/zinc/61/35/15/1209613515.db2.gz YEBVPKYDWHZXTM-CHWSQXEVSA-N -1 3 371.359 0.384 10 0 FCAEHM CC(C)(C)OC(=O)N1CC(C)(OCC(=O)NCCCc2cc(=O)[nH][n-]2)C1 ZINC000854486280 1209631215 /nfs/dbraw/zinc/63/12/15/1209631215.db2.gz SVGWJISZDFBYKO-UHFFFAOYSA-N -1 3 368.434 0.785 10 0 FCAEHM CN(OCC(F)(F)F)C(=O)CNC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000857250413 1209747777 /nfs/dbraw/zinc/74/77/77/1209747777.db2.gz XWGPWDASUCUULM-UHFFFAOYSA-N -1 3 374.275 0.644 10 0 FCAEHM CN(C)[C@@H]1CCc2ccccc2N(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC000857931861 1209770255 /nfs/dbraw/zinc/77/02/55/1209770255.db2.gz ZQGPIHNAPVQSCP-CQSZACIVSA-N -1 3 366.425 0.981 10 0 FCAEHM CCOC(=O)C[C@@H](O)COC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000859498299 1209823277 /nfs/dbraw/zinc/82/32/77/1209823277.db2.gz ICEVJDCREYUAOS-TZMCWYRMSA-N -1 3 365.382 0.854 10 0 FCAEHM CC(C)(C)OC(=O)NCc1cc(=O)[n-]c(CNC(=O)c2cccnn2)n1 ZINC000862231956 1209907158 /nfs/dbraw/zinc/90/71/58/1209907158.db2.gz NDHSIEXEILSPCX-UHFFFAOYSA-N -1 3 360.374 0.927 10 0 FCAEHM O=C(N[C@H]1CCN(c2ccc3nncn3n2)C1)c1cc2c(cc1[O-])OCO2 ZINC000862787281 1209923890 /nfs/dbraw/zinc/92/38/90/1209923890.db2.gz LWTRXRJDSQRWRG-JTQLQIEISA-N -1 3 368.353 0.567 10 0 FCAEHM COc1cc(C(=O)N2CCO[C@@H](CN3CCOCC3)C2)cc(OC)c1[O-] ZINC000870064533 1210103543 /nfs/dbraw/zinc/10/35/43/1210103543.db2.gz ASZINLPQIDJKHF-AWEZNQCLSA-N -1 3 366.414 0.583 10 0 FCAEHM C[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C[C@@H]1O ZINC000089402283 1210841867 /nfs/dbraw/zinc/84/18/67/1210841867.db2.gz KXRKMKGQDMKOLQ-BDAKNGLRSA-N -1 3 352.865 0.909 10 0 FCAEHM C[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C[C@H]1O ZINC000089402287 1210841981 /nfs/dbraw/zinc/84/19/81/1210841981.db2.gz KXRKMKGQDMKOLQ-RKDXNWHRSA-N -1 3 352.865 0.909 10 0 FCAEHM COCCCS(=O)(=O)[N-]Cc1nc(C2(COC)CCOCC2)no1 ZINC000349711918 1210999827 /nfs/dbraw/zinc/99/98/27/1210999827.db2.gz KRYDFOOHBNIBHW-UHFFFAOYSA-N -1 3 363.436 0.220 10 0 FCAEHM Cn1cc(C2=NC[C@@H](CN3CCN(C(=O)c4ccc([O-])cc4)CC3)O2)cn1 ZINC000929873437 1211667667 /nfs/dbraw/zinc/66/76/67/1211667667.db2.gz VBUOWTPPSBPWTQ-KRWDZBQOSA-N -1 3 369.425 0.729 10 0 FCAEHM O=C(COc1cccnc1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O ZINC001490835083 1211805511 /nfs/dbraw/zinc/80/55/11/1211805511.db2.gz WTVXSNBBRCNFGU-DFBGVHRSSA-N -1 3 369.381 0.518 10 0 FCAEHM O=C(Cc1[nH]c(O)nc1O)OC=C([O-])c1cc2c(cc1F)NC(=O)CC2 ZINC000751568201 1220038207 /nfs/dbraw/zinc/03/82/07/1220038207.db2.gz UCOHZLFQIFAEHS-NSHDSACASA-N -1 3 363.301 0.034 10 0 FCAEHM O=C(CN1C(=O)NC2(CCCCC2)C1=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001164321591 1223237512 /nfs/dbraw/zinc/23/75/12/1223237512.db2.gz ITGJUVVFAHRROS-NSHDSACASA-N -1 3 361.402 0.686 10 0 FCAEHM C[C@@H]1CCN(CC(=O)N2CCN(C(=O)c3ccco3)CC2)C[C@@H]1C(=O)[O-] ZINC001329419948 1265753471 /nfs/dbraw/zinc/75/34/71/1265753471.db2.gz KBTWLHFGZSVPNT-KGLIPLIRSA-N -1 3 363.414 0.607 10 0 FCAEHM CCN(CC)CC(=O)N1C[C@@H]2CN(C(=O)c3n[nH]c(C)c3[O-])CC[C@@H]2C1 ZINC001520229625 1265883787 /nfs/dbraw/zinc/88/37/87/1265883787.db2.gz VRGAJMYCCUFDOF-KGLIPLIRSA-N -1 3 363.462 0.686 10 0 FCAEHM COC[C@@H](C)CC(=O)N1C[C@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@@]2(C)C1 ZINC001521679767 1266163397 /nfs/dbraw/zinc/16/33/97/1266163397.db2.gz BVTCQPMTPOVFQP-ZJNRKIDTSA-N -1 3 362.430 0.775 10 0 FCAEHM CN(C(=O)[C@@H]1C[C@H]1c1ccco1)[C@@H](CNCc1nc(=O)n(C)[n-]1)C1CC1 ZINC001331332604 1266194971 /nfs/dbraw/zinc/19/49/71/1266194971.db2.gz HPZWTZKBMNWVNP-MCIONIFRSA-N -1 3 359.430 0.832 10 0 FCAEHM CCOC(=O)[C@H]1CCCN(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)C1 ZINC001251450707 1259748829 /nfs/dbraw/zinc/74/88/29/1259748829.db2.gz DVNDXYVVASOGGR-QWHCGFSZSA-N -1 3 363.418 0.746 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N(CCOCCO)C1CCC1 ZINC001251451175 1259749042 /nfs/dbraw/zinc/74/90/42/1259749042.db2.gz QSUWEFHTMMRTAI-CYBMUJFWSA-N -1 3 365.434 0.334 10 0 FCAEHM Cc1nnccc1C(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2cnc[n-]c2=O)C1 ZINC001522004117 1266292059 /nfs/dbraw/zinc/29/20/59/1266292059.db2.gz OHXJARJCAJFJOW-DGCLKSJQSA-N -1 3 370.413 0.809 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N[C@H]1CC(=O)N(CC2CC2)C1 ZINC001254652239 1259892585 /nfs/dbraw/zinc/89/25/85/1259892585.db2.gz HVVONRVSPUQQAB-OLZOCXBDSA-N -1 3 360.418 0.071 10 0 FCAEHM C[C@@H]1CN(C(=O)c2nnc3ccccc3c2[O-])C[C@H]1CCNC(=O)C(N)=O ZINC001522023930 1266308189 /nfs/dbraw/zinc/30/81/89/1266308189.db2.gz XUSNVCRGPGKPES-GHMZBOCLSA-N -1 3 371.397 0.035 10 0 FCAEHM C[C@H](CC(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@@H]1O)c1ccccc1 ZINC001281936366 1261297312 /nfs/dbraw/zinc/29/73/12/1261297312.db2.gz CGRADCIQZCBVHT-WQVCFCJDSA-N -1 3 370.409 0.678 10 0 FCAEHM COCC(=O)NCc1nc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)cc(=O)[n-]1 ZINC001282229920 1261386841 /nfs/dbraw/zinc/38/68/41/1261386841.db2.gz XWGQMKATMVZDTN-FPMFFAJLSA-N -1 3 362.430 0.887 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)CCc2cncn2C)CCN1C(=O)c1cnc[n-]c1=O ZINC001282375500 1261435949 /nfs/dbraw/zinc/43/59/49/1261435949.db2.gz AACOBCMGUPDGDA-RISCZKNCSA-N -1 3 358.402 0.268 10 0 FCAEHM O=C(CCNC(=O)c1ccc(F)cc1)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001472253382 1261454921 /nfs/dbraw/zinc/45/49/21/1261454921.db2.gz KCHSZZHVLYHULP-AWEZNQCLSA-N -1 3 373.388 0.836 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1c[nH]nc1-c1cccnc1 ZINC001472254183 1261455249 /nfs/dbraw/zinc/45/52/49/1261455249.db2.gz LZOAXOMGTOLNTI-LBPRGKRZSA-N -1 3 351.370 0.976 10 0 FCAEHM C[C@@H]1CN(C(=O)[C@@]2(C)CCOC2)C[C@H]1CCNC(=O)c1cnc[n-]c1=O ZINC001282547009 1261521769 /nfs/dbraw/zinc/52/17/69/1261521769.db2.gz ZJRFWWMJWIMNST-VFVRVIDISA-N -1 3 362.430 0.823 10 0 FCAEHM O=C(CCNC(=O)c1ccco1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn[n-]n1)C2 ZINC001282656042 1261571101 /nfs/dbraw/zinc/57/11/01/1261571101.db2.gz VXGCNLTZIWORPZ-MDZLAQPJSA-N -1 3 372.385 0.080 10 0 FCAEHM COC[C@@H](OC)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)nc[n-]c1=O)C2 ZINC001282674491 1261579307 /nfs/dbraw/zinc/57/93/07/1261579307.db2.gz UEAKHKOESDMOBE-MROQNXINSA-N -1 3 364.402 0.014 10 0 FCAEHM Cc1nc(C)c(CC(=O)NCCCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c(=O)[n-]1 ZINC001283256376 1261673535 /nfs/dbraw/zinc/67/35/35/1261673535.db2.gz VWVIDPXEAJALAP-NMNMXBMNSA-N -1 3 374.441 0.387 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NCC[C@@H](C)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001284454177 1261757811 /nfs/dbraw/zinc/75/78/11/1261757811.db2.gz IJXLJAVGYGOQNX-KEFKHEOASA-N -1 3 360.414 0.539 10 0 FCAEHM CCN(CCNC(=O)c1cccc2n[n-]nc21)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001284616490 1261770748 /nfs/dbraw/zinc/77/07/48/1261770748.db2.gz LFDGPWPMKFOLNP-KPHDYIETSA-N -1 3 369.425 0.960 10 0 FCAEHM C[C@H](C(=O)N1CCCc2c(=O)[n-]cnc21)N1C(=O)NC2(CCCC2)C1=O ZINC001288087889 1261996043 /nfs/dbraw/zinc/99/60/43/1261996043.db2.gz GCGFSSVTHRACCB-SNVBAGLBSA-N -1 3 359.386 0.715 10 0 FCAEHM CCN(CC)C[C@H](F)C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@H]1C ZINC001289317259 1262170499 /nfs/dbraw/zinc/17/04/99/1262170499.db2.gz AJOSDJWLFFFYTG-KGYLQXTDSA-N -1 3 369.441 0.680 10 0 FCAEHM CC[C@@H](NC(C)=O)C(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1OC ZINC001289549882 1262248852 /nfs/dbraw/zinc/24/88/52/1262248852.db2.gz HYGOVLNLAMIIKD-IIAWOOMASA-N -1 3 363.414 0.263 10 0 FCAEHM COC[C@H](OC)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001290198992 1262398908 /nfs/dbraw/zinc/39/89/08/1262398908.db2.gz QKUMXGFLCXILAK-XQQFMLRXSA-N -1 3 366.418 0.167 10 0 FCAEHM O=C(CC1CCC1)NCc1nc(CNC(=O)[C@]23C[C@H]2COC3)cc(=O)[n-]1 ZINC001290363983 1262433169 /nfs/dbraw/zinc/43/31/69/1262433169.db2.gz CGMNRTYDJWCQRK-SGTLLEGYSA-N -1 3 360.414 0.641 10 0 FCAEHM COC[C@H](C)C(=O)N[C@H]1CCN(C(=O)Cc2c(C)nc(C)[n-]c2=O)[C@@H]1C ZINC001290595749 1262472790 /nfs/dbraw/zinc/47/27/90/1262472790.db2.gz GVIXECHVLXOWQK-NVBFEUDRSA-N -1 3 364.446 0.730 10 0 FCAEHM COC[C@@H](C)C(=O)N[C@H]1CCN(C(=O)Cc2c(C)nc(C)[n-]c2=O)[C@@H]1C ZINC001290595748 1262472799 /nfs/dbraw/zinc/47/27/99/1262472799.db2.gz GVIXECHVLXOWQK-HCKVZZMMSA-N -1 3 364.446 0.730 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@H]1CCN(C(=O)[C@]23C[C@H]2COC3)[C@@H]1C ZINC001290670226 1262490398 /nfs/dbraw/zinc/49/03/98/1262490398.db2.gz ZJPMVTJHQHLEHF-CFLYGVGMSA-N -1 3 374.441 0.565 10 0 FCAEHM CCCNC(=O)CCCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn[n-]n1)C2 ZINC001291924480 1262612608 /nfs/dbraw/zinc/61/26/08/1262612608.db2.gz GUEYOBOYRYJARB-DYEKYZERSA-N -1 3 362.434 0.363 10 0 FCAEHM CO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1c(C)nc(C)[n-]c1=O ZINC001292048688 1262635967 /nfs/dbraw/zinc/63/59/67/1262635967.db2.gz BSPDHPXOWJMZQJ-BTQDYEIMSA-N -1 3 362.430 0.625 10 0 FCAEHM C[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn[n-]n1)C2)N(C)CC(F)(F)F ZINC001292152619 1262656081 /nfs/dbraw/zinc/65/60/81/1262656081.db2.gz MJHLCCOTHXKXEA-BFLSOPEQSA-N -1 3 374.367 0.549 10 0 FCAEHM CC(=O)N[C@@](C)(C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn[n-]n1)C2)C(C)C ZINC001292152734 1262656656 /nfs/dbraw/zinc/65/66/56/1262656656.db2.gz PBGVDTXLDVFFSW-ALYFQZSWSA-N -1 3 362.434 0.217 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)NCCCNC(=O)CCc1c(C)nc[n-]c1=O ZINC001293409589 1262717056 /nfs/dbraw/zinc/71/70/56/1262717056.db2.gz JFXNFNMNUMEFPX-CJNGLKHVSA-N -1 3 364.446 0.861 10 0 FCAEHM O=C(NCc1nnc(C2CC2)s1)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001478825585 1263145900 /nfs/dbraw/zinc/14/59/00/1263145900.db2.gz XVNWJPQLEYQMFJ-JTQLQIEISA-N -1 3 361.431 0.989 10 0 FCAEHM CN(Cc1ncc(Cl)n1C)C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001479156041 1263172793 /nfs/dbraw/zinc/17/27/93/1263172793.db2.gz GFGRIVPNGVLLQY-UHFFFAOYSA-N -1 3 366.809 0.983 10 0 FCAEHM CC1(C)O[C@@H]2C[C@@H](NC(=O)N[C@H]3CCN(c4cc(=O)[n-]cn4)C3)C[C@@H]2O1 ZINC001479457995 1263207389 /nfs/dbraw/zinc/20/73/89/1263207389.db2.gz ZKZQJEYXBXTLBD-ZDEQEGDKSA-N -1 3 363.418 0.743 10 0 FCAEHM Cc1nc([C@H]2CCN(C(=O)N[C@@H]3CCN(c4cc(=O)[n-]cn4)C3)C2)no1 ZINC001479506505 1263233591 /nfs/dbraw/zinc/23/35/91/1263233591.db2.gz FAAGHTXQAJLELG-NWDGAFQWSA-N -1 3 359.390 0.651 10 0 FCAEHM Cc1nn(C)cc1CCC(=O)NC[C@H]1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001316662197 1263405681 /nfs/dbraw/zinc/40/56/81/1263405681.db2.gz DZOWSRLQRHRAHJ-GXTWGEPZSA-N -1 3 361.450 0.560 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@H]1CCN(CC(=O)NCC(C)(C)C)[C@@H]1C ZINC001316789927 1263480646 /nfs/dbraw/zinc/48/06/46/1263480646.db2.gz IUMUEAIEKRLLOL-OLZOCXBDSA-N -1 3 363.462 0.846 10 0 FCAEHM C[C@@H](CCCNCc1n[nH]c(=O)[n-]1)NC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001485730562 1263515128 /nfs/dbraw/zinc/51/51/28/1263515128.db2.gz SLLAUBZJBLAGQQ-FPMFFAJLSA-N -1 3 351.451 0.948 10 0 FCAEHM Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@](C)(CNCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001495279595 1263813527 /nfs/dbraw/zinc/81/35/27/1263813527.db2.gz IWPWLLGYIMRSMH-PSTGCABASA-N -1 3 359.434 0.422 10 0 FCAEHM CC(C)[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)NCc1nc(=O)n(C)[n-]1 ZINC001496584045 1263885328 /nfs/dbraw/zinc/88/53/28/1263885328.db2.gz SGMNJNULNKYTFH-RRFJBIMHSA-N -1 3 365.478 0.402 10 0 FCAEHM CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)NC(=O)c1c(C)nc[n-]c1=O ZINC001499171806 1264009790 /nfs/dbraw/zinc/00/97/90/1264009790.db2.gz HYLKXMKRJKSITP-QJPTWQEYSA-N -1 3 358.402 0.642 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@@](C)(NC(=O)[C@]12C[C@H]1COC2)C1CC1 ZINC001499646827 1264038810 /nfs/dbraw/zinc/03/88/10/1264038810.db2.gz LUHJGJUBYXXGLG-RZAIGCCYSA-N -1 3 360.414 0.542 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@@H](C)CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001500310145 1264064223 /nfs/dbraw/zinc/06/42/23/1264064223.db2.gz LHZDWPNISOHVFW-BVRBVLIYSA-N -1 3 362.430 0.932 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1CC[C@@](C)(CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001506610194 1264330973 /nfs/dbraw/zinc/33/09/73/1264330973.db2.gz OILKNKIIEFVFBY-IGNZVWTISA-N -1 3 360.414 0.496 10 0 FCAEHM C[C@@H](OCC1CC1)C(=O)N1CC[C@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@H]21 ZINC001512781457 1264650229 /nfs/dbraw/zinc/65/02/29/1264650229.db2.gz LJOJWRKSBGQMBR-OSAQELSMSA-N -1 3 360.414 0.670 10 0 FCAEHM CC[C@H](F)C(=O)N[C@@H]1CN(C(=O)c2c(C)nc(C(C)C)[n-]c2=O)C[C@H]1O ZINC001513032349 1264875737 /nfs/dbraw/zinc/87/57/37/1264875737.db2.gz XUOZXSJGAFVNNS-QJPTWQEYSA-N -1 3 368.409 0.664 10 0 FCAEHM CC(C)OCCCC(=O)N1C[C@@H](C)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001513234609 1264981722 /nfs/dbraw/zinc/98/17/22/1264981722.db2.gz NHCJKQBWHNWHQW-TZMCWYRMSA-N -1 3 350.419 0.964 10 0 FCAEHM COCCCCC(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1OC ZINC001513350303 1265053707 /nfs/dbraw/zinc/05/37/07/1265053707.db2.gz VQNLOGOUYIJPGC-CHWSQXEVSA-N -1 3 366.418 0.263 10 0 FCAEHM CC[C@H](C)CC(=O)N1C[C@@H](NC(=O)c2c(C)nc[n-]c2=O)[C@H](OC)C1 ZINC001513410962 1265108890 /nfs/dbraw/zinc/10/88/90/1265108890.db2.gz PCFCKSVRPYWEFI-CYZMBNFOSA-N -1 3 350.419 0.882 10 0 FCAEHM C/C=C(\C)C(=O)N[C@@H]1CN(C(=O)c2cc(=O)c3ccccc3[n-]2)C[C@@H]1O ZINC001513487502 1265149888 /nfs/dbraw/zinc/14/98/88/1265149888.db2.gz RIDVOELUOJADSS-QIBTXJBISA-N -1 3 355.394 0.796 10 0 FCAEHM CCC[C@@H](OC)C(=O)N1C[C@H]2CCN(C(=O)c3c(C)nc[n-]c3=O)C[C@H]21 ZINC001514031496 1265317215 /nfs/dbraw/zinc/31/72/15/1265317215.db2.gz DDDOKDQNHAUAEL-MGPQQGTHSA-N -1 3 362.430 0.979 10 0 FCAEHM C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001327588749 1265366439 /nfs/dbraw/zinc/36/64/39/1265366439.db2.gz UDLUIRZAHGUDMZ-YAXFVEMYSA-N -1 3 360.370 0.629 10 0 FCAEHM C[C@@]1(CCNC(=O)C(=O)NCc2nc(C(F)(F)F)n[n-]2)CC1(F)F ZINC001334188091 1266872974 /nfs/dbraw/zinc/87/29/74/1266872974.db2.gz IERIPWRQGKAGJY-SNVBAGLBSA-N -1 3 355.267 0.991 10 0 FCAEHM C/C(=C\C(=O)N[C@H]1CCN(c2nc(C)cc(=O)[n-]2)C1)CN1CCOCC1 ZINC001528887271 1267004910 /nfs/dbraw/zinc/00/49/10/1267004910.db2.gz YKGXKMOINANETO-GLNPCMGASA-N -1 3 361.446 0.464 10 0 FCAEHM CCN(CCNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)C(=O)c1cnc[n-]c1=O ZINC001529133039 1267032565 /nfs/dbraw/zinc/03/25/65/1267032565.db2.gz VQUFLPUKQVBRLZ-QWHCGFSZSA-N -1 3 358.402 0.298 10 0 FCAEHM O=C(c1c[n-]c2ccccc2c1=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001529827091 1267079960 /nfs/dbraw/zinc/07/99/60/1267079960.db2.gz AIQPXQCMFIABAA-KRWDZBQOSA-N -1 3 362.407 0.558 10 0 FCAEHM O=C(NC1(CCO)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1)c1ccccc1[O-] ZINC001334578324 1267087725 /nfs/dbraw/zinc/08/77/25/1267087725.db2.gz DBELZBFWGYNXBK-ZIAGYGMSSA-N -1 3 370.409 0.612 10 0 FCAEHM CN(C)c1ncc(Br)c(C(=O)[N-]c2nc3cnccn3n2)n1 ZINC001535294454 1267289293 /nfs/dbraw/zinc/28/92/93/1267289293.db2.gz BSMTYJGVFLHXMI-UHFFFAOYSA-N -1 3 363.179 0.995 10 0 FCAEHM C[C@@]1(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)CCC(=O)N1 ZINC001538088654 1267392191 /nfs/dbraw/zinc/39/21/91/1267392191.db2.gz FXFVDQLOTDWSOP-AWEZNQCLSA-N -1 3 361.370 0.028 10 0 FCAEHM CC[C@H](O)Cn1cc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)nn1 ZINC001540718760 1267460589 /nfs/dbraw/zinc/46/05/89/1267460589.db2.gz GJRCQIMPZBYLFI-JTQLQIEISA-N -1 3 353.404 0.673 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)Cc1csc(S[C@@H](C)C(N)=O)n1 ZINC001542942069 1267513258 /nfs/dbraw/zinc/51/32/58/1267513258.db2.gz OXKQOELLPYLWQG-WCBMZHEXSA-N -1 3 369.472 0.280 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C1(CC(=O)N2CCOCC2)CCCC1 ZINC001542940526 1267513762 /nfs/dbraw/zinc/51/37/62/1267513762.db2.gz VYXYVIRARKKJFN-CQSZACIVSA-N -1 3 364.446 0.424 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C1(CC(=O)N2CCOCC2)CCCC1 ZINC001542940525 1267514208 /nfs/dbraw/zinc/51/42/08/1267514208.db2.gz VYXYVIRARKKJFN-AWEZNQCLSA-N -1 3 364.446 0.424 10 0 FCAEHM CON(C)C[C@@H](O)Cn1cc(NC(=O)c2[n-]cnc2C(F)(F)F)cn1 ZINC001545831177 1267625210 /nfs/dbraw/zinc/62/52/10/1267625210.db2.gz LGPPWXSSXNQBPE-SECBINFHSA-N -1 3 362.312 0.731 10 0 FCAEHM CON(C)C[C@@H](O)Cn1cc(NC(=O)c2nc[n-]c2C(F)(F)F)cn1 ZINC001545831177 1267625213 /nfs/dbraw/zinc/62/52/13/1267625213.db2.gz LGPPWXSSXNQBPE-SECBINFHSA-N -1 3 362.312 0.731 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N(C)C[C@H](O)CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001338584988 1267995596 /nfs/dbraw/zinc/99/55/96/1267995596.db2.gz GMAAUXOSFUYZRF-LXTVHRRPSA-N -1 3 374.441 0.642 10 0 FCAEHM CC(C)N(CCN(C)C(=O)[C@H]1OCCO[C@H]1C)C(=O)c1cnc[n-]c1=O ZINC001338763093 1268080950 /nfs/dbraw/zinc/08/09/50/1268080950.db2.gz XFWVPPYXFXVEGR-JSGCOSHPSA-N -1 3 366.418 0.295 10 0 FCAEHM CN(C)Cc1csc(C[N-]S(=O)(=O)c2cnc3c(cnn3C)c2)n1 ZINC001339860077 1268351279 /nfs/dbraw/zinc/35/12/79/1268351279.db2.gz UNGJJTBSRNJLKT-UHFFFAOYSA-N -1 3 366.472 0.965 10 0 FCAEHM CCN1C(=O)CO[C@H](C(=O)Nc2nc(C)ccc2[O-])[C@H]1c1ccnn1C ZINC001556408094 1268853518 /nfs/dbraw/zinc/85/35/18/1268853518.db2.gz ACXWXSZUESRUMZ-CABCVRRESA-N -1 3 359.386 0.756 10 0 FCAEHM O=C(c1cccc(CN2C(=O)CNC2=O)c1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001557318342 1268942675 /nfs/dbraw/zinc/94/26/75/1268942675.db2.gz YVWJHLNCLSHZPC-ZDUSSCGKSA-N -1 3 369.381 0.797 10 0 FCAEHM COC(=O)[C@H](CCC1OCCO1)NC(=O)c1nnc2ccccc2c1[O-] ZINC001558042557 1269008785 /nfs/dbraw/zinc/00/87/85/1269008785.db2.gz FBCKOSSZQFYTGC-LBPRGKRZSA-N -1 3 361.354 0.760 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)CCc3c(C)[nH]c(=O)[nH]c3=O)CC2)n1 ZINC001558398120 1269083892 /nfs/dbraw/zinc/08/38/92/1269083892.db2.gz XGHLTKQTOMVSIA-UHFFFAOYSA-N -1 3 374.401 0.282 10 0 FCAEHM CCOC(=O)[C@H]1CN(Cc2cc(=O)n3nc(N)[n-]c3n2)CCC1(F)F ZINC001560038681 1269183963 /nfs/dbraw/zinc/18/39/63/1269183963.db2.gz SVSCSWXODBZWCG-SECBINFHSA-N -1 3 356.333 0.020 10 0 FCAEHM CC(C)N(C)C(=O)C1CCN(C(=O)CN2CC[C@H](c3nnn[n-]3)C2)CC1 ZINC001560101039 1269186136 /nfs/dbraw/zinc/18/61/36/1269186136.db2.gz ALBHGKICVWVVNK-AWEZNQCLSA-N -1 3 363.466 0.094 10 0 FCAEHM CC(C)N(C)C(=O)C1CCN(C(=O)CN2CC[C@H](c3nn[n-]n3)C2)CC1 ZINC001560101039 1269186143 /nfs/dbraw/zinc/18/61/43/1269186143.db2.gz ALBHGKICVWVVNK-AWEZNQCLSA-N -1 3 363.466 0.094 10 0 FCAEHM COCCCS(=O)(=O)NCCN1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001560115611 1269188307 /nfs/dbraw/zinc/18/83/07/1269188307.db2.gz DXKUIJRRBSCICG-UHFFFAOYSA-N -1 3 356.448 0.331 10 0 FCAEHM CO[C@@H](C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2c(C)nc(C)[n-]c2=O)C1 ZINC001342191813 1269390588 /nfs/dbraw/zinc/39/05/88/1269390588.db2.gz NNCWCJVXADZWJH-JRPNMDOOSA-N -1 3 364.446 0.730 10 0 FCAEHM COC(=O)CC(C)(C)CNC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001565360059 1269465743 /nfs/dbraw/zinc/46/57/43/1269465743.db2.gz YZMZUXPSVANVOZ-NSHDSACASA-N -1 3 351.407 0.649 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)Cc1ccccc1NS(C)(=O)=O ZINC001565611471 1269481454 /nfs/dbraw/zinc/48/14/54/1269481454.db2.gz GVZLIMJNBOPAPO-LBPRGKRZSA-N -1 3 352.416 0.229 10 0 FCAEHM CC(=O)[C@@H]1CC(C(=O)NCCc2c(C)[n-][nH]c2=O)=NN1c1ccccc1 ZINC001565611463 1269481862 /nfs/dbraw/zinc/48/18/62/1269481862.db2.gz GKDSQTPXGJNOOG-ZBFHGGJFSA-N -1 3 355.398 0.839 10 0 FCAEHM CCN1CCN([C@H](C)CNC(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)CC1 ZINC001565618110 1269483880 /nfs/dbraw/zinc/48/38/80/1269483880.db2.gz LFYGQBDVTKLBAI-CYBMUJFWSA-N -1 3 374.445 0.022 10 0 FCAEHM CC(=O)N[C@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001342673361 1269559822 /nfs/dbraw/zinc/55/98/22/1269559822.db2.gz KRLHTYMDJMZGGN-DIOULYMOSA-N -1 3 370.413 0.054 10 0 FCAEHM CO[C@@H](C)CCC(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]2C1 ZINC001566043362 1269573775 /nfs/dbraw/zinc/57/37/75/1269573775.db2.gz XYSIPDOSJQEFGO-MJBXVCDLSA-N -1 3 351.451 0.204 10 0 FCAEHM CCN(C(=O)CN1CC[C@H](NC(=O)c2c(C)nc[n-]c2=O)[C@H]1C)C1CC1 ZINC001566101221 1269602569 /nfs/dbraw/zinc/60/25/69/1269602569.db2.gz XQQGBOIQLPWJNB-OCCSQVGLSA-N -1 3 361.446 0.694 10 0 FCAEHM C[C@H](CO[N-]C(=O)[C@@H]1CCC2N=NC(=O)N2C1)NC(=O)OC(C)(C)C ZINC001566455916 1269644402 /nfs/dbraw/zinc/64/44/02/1269644402.db2.gz WEDATJOZKOADEQ-NXEZZACHSA-N -1 3 355.395 0.507 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)NC2CCN(CC(=O)[O-])CC2)cs1 ZINC001343006496 1269726175 /nfs/dbraw/zinc/72/61/75/1269726175.db2.gz YQLZFRNUONYRNY-UHFFFAOYSA-N -1 3 362.429 0.362 10 0 FCAEHM O=C(N[C@H](CNCc1cc(=O)n2[n-]ccc2n1)C1CC1)[C@]12C[C@H]1COC2 ZINC001569305057 1269774018 /nfs/dbraw/zinc/77/40/18/1269774018.db2.gz XUNSAQZJYVMYKD-WRSAYESZSA-N -1 3 357.414 0.044 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H]1CCNC(=O)CC1 ZINC001570479288 1269891459 /nfs/dbraw/zinc/89/14/59/1269891459.db2.gz SXAMRUAIPZJFOF-AWEZNQCLSA-N -1 3 369.425 0.858 10 0 FCAEHM CC(C)(C)/C=C\C(=O)N1C[C@@H](NC(=O)c2cccc3n[n-]nc32)[C@@H](O)C1 ZINC001343402460 1269897240 /nfs/dbraw/zinc/89/72/40/1269897240.db2.gz PLPGZOARLHVJHW-BYTACQFHSA-N -1 3 357.414 0.862 10 0 FCAEHM CCO[C@@H](CC)C(=O)N1C[C@H]2CCN(C(=O)c3c(C)nc[n-]c3=O)C[C@H]21 ZINC001343803344 1270016286 /nfs/dbraw/zinc/01/62/86/1270016286.db2.gz BKFGTZOGDVHJQU-MCIONIFRSA-N -1 3 362.430 0.979 10 0 FCAEHM O=C(CNC(=O)C1CCC1)N1C[C@@H]2CCN(C(=O)c3ccccc3[O-])[C@@H]2C1 ZINC001572766885 1270118392 /nfs/dbraw/zinc/11/83/92/1270118392.db2.gz ILMVJHNPIZSMLA-GOEBONIOSA-N -1 3 371.437 0.981 10 0 FCAEHM COCC1(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)c2cnc[n-]c2=O)CC1 ZINC001344537654 1270198542 /nfs/dbraw/zinc/19/85/42/1270198542.db2.gz AZRLRQUENVKHPQ-OLZOCXBDSA-N -1 3 362.430 0.966 10 0 FCAEHM CCCC(CCC)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001572829291 1270210846 /nfs/dbraw/zinc/21/08/46/1270210846.db2.gz KFUBQCMIGBQNPM-ZIAGYGMSSA-N -1 3 350.419 0.700 10 0 FCAEHM CN(CCCCCCNC(=O)c1cnc[n-]c1=O)C(=O)[C@]12C[C@H]1COC2 ZINC001344696873 1270225488 /nfs/dbraw/zinc/22/54/88/1270225488.db2.gz LYLFOOIFGMOISX-UGSOOPFHSA-N -1 3 362.430 0.967 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)COC)CCN1C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001344712193 1270226490 /nfs/dbraw/zinc/22/64/90/1270226490.db2.gz KBXJWHOCYNVGOZ-UONOGXRCSA-N -1 3 359.382 0.326 10 0 FCAEHM CCC[C@H](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001572848487 1270254857 /nfs/dbraw/zinc/25/48/57/1270254857.db2.gz AFRSAZVADXLACM-CYZMBNFOSA-N -1 3 350.419 0.618 10 0 FCAEHM CCC[C@@H](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001572848488 1270254951 /nfs/dbraw/zinc/25/49/51/1270254951.db2.gz AFRSAZVADXLACM-RAIGVLPGSA-N -1 3 350.419 0.618 10 0 FCAEHM COCC[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001572918845 1270348483 /nfs/dbraw/zinc/34/84/83/1270348483.db2.gz OZWBTZQNNPASEH-NQBHXWOUSA-N -1 3 350.419 0.740 10 0 FCAEHM CO[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1NC(=O)[C@H](C)C(C)(C)C ZINC001572959257 1270409596 /nfs/dbraw/zinc/40/95/96/1270409596.db2.gz QXGGFVKMASOPPN-CYZMBNFOSA-N -1 3 350.419 0.820 10 0 FCAEHM CCO[C@@H]1CN(C(=O)CCCOC)C[C@H]1CNC(=O)c1cnc[n-]c1=O ZINC001573210913 1270671279 /nfs/dbraw/zinc/67/12/79/1270671279.db2.gz URQOCPBIAYXMJT-TZMCWYRMSA-N -1 3 366.418 0.202 10 0 FCAEHM CCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)c3c(C)nc[n-]c3=O)C[C@@]2(C)C1 ZINC001573701752 1270853303 /nfs/dbraw/zinc/85/33/03/1270853303.db2.gz IKUBDEUQMGUBIT-FHSNZYRGSA-N -1 3 362.430 0.836 10 0 FCAEHM COC[C@@H](OC)C(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2cnc[n-]c2=O)C1 ZINC001574002319 1270985033 /nfs/dbraw/zinc/98/50/33/1270985033.db2.gz CKWAPQRBJCREJP-YRGRVCCFSA-N -1 3 366.418 0.058 10 0 FCAEHM Cc1[nH]nc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C3)c1[O-] ZINC001574544130 1271327820 /nfs/dbraw/zinc/32/78/20/1271327820.db2.gz YUXUEFYUYQOZSI-GUIRCDHDSA-N -1 3 363.462 0.872 10 0 FCAEHM O=C(NC[C@@H](NC(=O)[C@]12C[C@H]1COC2)C1CC1)c1cccc2n[n-]nc21 ZINC001578149456 1275449648 /nfs/dbraw/zinc/44/96/48/1275449648.db2.gz DBDZGMDHJYUOAX-FVMIAERFSA-N -1 3 355.398 0.619 10 0 FCAEHM O=C(CCCn1cccc1)N1C[C@@H](NC(=O)c2ccccc2[O-])[C@@H](O)C1 ZINC001735901423 1289014158 /nfs/dbraw/zinc/01/41/58/1289014158.db2.gz AQZVCMGPJBKDRM-WBVHZDCISA-N -1 3 357.410 0.976 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1c[nH]nc1-c1ccccn1 ZINC001603293491 1287348310 /nfs/dbraw/zinc/34/83/10/1287348310.db2.gz WXKJZKCXNWNSPI-LLVKDONJSA-N -1 3 351.370 0.976 10 0 FCAEHM CC(C)[C@@H](CNC(=O)[C@]12CCC[C@H]1OCC2)NCc1nc(=O)n(C)[n-]1 ZINC001715496432 1287352531 /nfs/dbraw/zinc/35/25/31/1287352531.db2.gz MOKWGKRTNNIOMI-XNJGSVPQSA-N -1 3 351.451 0.298 10 0 FCAEHM C[C@H](CNC(=O)c1cnc[n-]c1=O)N(C)C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001718172595 1287468174 /nfs/dbraw/zinc/46/81/74/1287468174.db2.gz ITPVIBIOEHSMGU-KWCYVHTRSA-N -1 3 362.430 0.822 10 0 FCAEHM C[C@H](CNC(=O)c1cnc[n-]c1=O)N(C)C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001718172931 1287468582 /nfs/dbraw/zinc/46/85/82/1287468582.db2.gz LDXXGRMHWYKLOQ-KWCYVHTRSA-N -1 3 355.398 0.958 10 0 FCAEHM CC[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC001582564037 1281748336 /nfs/dbraw/zinc/74/83/36/1281748336.db2.gz YITRHYKVOQSWHQ-UHTWSYAYSA-N -1 3 370.409 0.274 10 0 FCAEHM NC(=O)c1cc(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)nn1-c1ccccc1 ZINC001631842448 1282122938 /nfs/dbraw/zinc/12/29/38/1282122938.db2.gz ISUWNPCBKRGRIS-UHFFFAOYSA-N -1 3 370.394 0.686 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NC[C@@]2(OCCO)CCOC2)c1 ZINC001584113726 1282134706 /nfs/dbraw/zinc/13/47/06/1282134706.db2.gz UACNJCBSCIGRQF-KRWDZBQOSA-N -1 3 350.371 0.415 10 0 FCAEHM CCOC(=O)[C@H](NC(=O)c1cc(F)cc2n[n-]nc21)[C@H](O)c1cccnc1 ZINC001631959044 1282142985 /nfs/dbraw/zinc/14/29/85/1282142985.db2.gz QYWXLGVPRLZQHJ-HUUCEWRRSA-N -1 3 373.344 0.887 10 0 FCAEHM CCS(=O)(=O)Nc1cccc(C(=O)NCCc2c(C)[n-][nH]c2=O)c1 ZINC001585158088 1282207291 /nfs/dbraw/zinc/20/72/91/1282207291.db2.gz OJGCHGBFWBMCPL-ZDUSSCGKSA-N -1 3 352.416 0.690 10 0 FCAEHM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc(NC2=NCCC2)cc1 ZINC001632815210 1282210893 /nfs/dbraw/zinc/21/08/93/1282210893.db2.gz RIHLEPGUIUTQCL-UHFFFAOYSA-N -1 3 352.416 0.487 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NCCCc1c[nH][nH]c1=O ZINC001585938295 1282258293 /nfs/dbraw/zinc/25/82/93/1282258293.db2.gz WAJIZAFJMZLVAT-CYBMUJFWSA-N -1 3 368.397 0.311 10 0 FCAEHM NS(=O)(=O)c1ccc(SCC(=O)NCCCc2c[n-][nH]c2=O)cc1 ZINC001585937895 1282259045 /nfs/dbraw/zinc/25/90/45/1282259045.db2.gz QCWUTRBDXRXYDQ-JTQLQIEISA-N -1 3 370.456 0.054 10 0 FCAEHM O=C(N[C@H]1CCn2cncc21)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001634084642 1282296404 /nfs/dbraw/zinc/29/64/04/1282296404.db2.gz BFYDROHQFSCBLG-LBPRGKRZSA-N -1 3 355.329 0.945 10 0 FCAEHM O=C(N[C@H]1CCn2cncc21)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001634084642 1282296411 /nfs/dbraw/zinc/29/64/11/1282296411.db2.gz BFYDROHQFSCBLG-LBPRGKRZSA-N -1 3 355.329 0.945 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)c1 ZINC001634126248 1282302344 /nfs/dbraw/zinc/30/23/44/1282302344.db2.gz BBVVZQXKNTUNGO-AWEZNQCLSA-N -1 3 369.381 0.786 10 0 FCAEHM O=C(Cc1cc[nH]c(=O)c1Br)NCCCc1c[n-][nH]c1=O ZINC001634143642 1282304124 /nfs/dbraw/zinc/30/41/24/1282304124.db2.gz MIJREGSVMOYOSI-SECBINFHSA-N -1 3 355.192 0.720 10 0 FCAEHM CN(C)c1nc(CNC(=O)c2ccc(-n3[n-]c(=O)[nH]c3=O)cc2)cs1 ZINC001587323851 1282349601 /nfs/dbraw/zinc/34/96/01/1282349601.db2.gz QQNIRYTXXOLSTC-UHFFFAOYSA-N -1 3 360.399 0.719 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)c3cc4c([nH]c3=O)CCOC4)CC2)n1 ZINC001634977759 1282368927 /nfs/dbraw/zinc/36/89/27/1282368927.db2.gz LLBBBSHEFLEQER-UHFFFAOYSA-N -1 3 371.397 0.626 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N(C)C[C@@H](O)CN2CCOCC2)c1 ZINC001587654616 1282372575 /nfs/dbraw/zinc/37/25/75/1282372575.db2.gz MTFIBQCNPYARDY-CQSZACIVSA-N -1 3 363.414 0.282 10 0 FCAEHM Cn1c(=O)c2cc([N-]C(=O)c3ocnc3C(F)(F)F)cnc2n(C)c1=O ZINC001587702711 1282374072 /nfs/dbraw/zinc/37/40/72/1282374072.db2.gz SJUWZOYBDICVAO-UHFFFAOYSA-N -1 3 369.259 0.891 10 0 FCAEHM O=C(c1ncc(Br)cc1[O-])N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC001635980744 1282449251 /nfs/dbraw/zinc/44/92/51/1282449251.db2.gz LJIWFJXSSFLQFH-MNOVXSKESA-N -1 3 356.220 0.831 10 0 FCAEHM Cc1cc(C)nc(-n2[n-]c(C(=O)NC[C@@H]3CCCCN3CCO)cc2=O)n1 ZINC001636134920 1282462856 /nfs/dbraw/zinc/46/28/56/1282462856.db2.gz MMTNDCGLAHLKOM-AWEZNQCLSA-N -1 3 374.445 0.149 10 0 FCAEHM CSc1ccc([C@H](CNC(=O)Cn2c(=O)[n-][nH]c2=O)N(C)C)cc1 ZINC001636321177 1282485065 /nfs/dbraw/zinc/48/50/65/1282485065.db2.gz DKYZTWXJYPHQOA-LBPRGKRZSA-N -1 3 351.432 0.830 10 0 FCAEHM Cn1c2ccc(C(=O)N[C@@H]3CCN(c4cc(=O)[n-]cn4)C3)cc2[nH]c1=O ZINC001636855377 1282542347 /nfs/dbraw/zinc/54/23/47/1282542347.db2.gz NPVHSQRCBIFKRE-LLVKDONJSA-N -1 3 354.370 0.783 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccccc1Cn1cncn1 ZINC001636854483 1282542871 /nfs/dbraw/zinc/54/28/71/1282542871.db2.gz BVWAIUORTLSUDF-CQSZACIVSA-N -1 3 365.397 0.831 10 0 FCAEHM Cc1cc2ncc(C(=O)N[C@H]3CCN(c4cc(=O)[n-]cn4)C3)c(C)n2n1 ZINC001636855891 1282543743 /nfs/dbraw/zinc/54/37/43/1282543743.db2.gz UPOHYLOIDBOSOC-LBPRGKRZSA-N -1 3 353.386 0.850 10 0 FCAEHM O=C(C=CC(=O)Nc1ccc2n[nH]cc2c1)NCCCc1cc(=O)[nH][n-]1 ZINC001637041388 1282553034 /nfs/dbraw/zinc/55/30/34/1282553034.db2.gz KYGFQVGPIYXBTB-WAYWQWQTSA-N -1 3 354.370 0.830 10 0 FCAEHM COCCNC(=O)C1CCN(C(=O)CCc2c(C)nc[n-]c2=O)CC1 ZINC001638107744 1282657199 /nfs/dbraw/zinc/65/71/99/1282657199.db2.gz BPBDHFWALZIHCG-UHFFFAOYSA-N -1 3 350.419 0.424 10 0 FCAEHM CCCCCS(=O)(=O)CC(=O)N1CCN(c2nc(C)cc(=O)[n-]2)CC1 ZINC001638489455 1282701744 /nfs/dbraw/zinc/70/17/44/1282701744.db2.gz ZUMODONLNKOLLR-UHFFFAOYSA-N -1 3 370.475 0.744 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)CCOCC(F)(F)C(F)F)[n-]1 ZINC001638578258 1282706406 /nfs/dbraw/zinc/70/64/06/1282706406.db2.gz SPJVYGJNVPNWBX-UHFFFAOYSA-N -1 3 356.276 0.905 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CCC(Cn2ccnn2)CC1 ZINC001638865537 1282729428 /nfs/dbraw/zinc/72/94/28/1282729428.db2.gz SUCQUJWGKXUOHG-CQSZACIVSA-N -1 3 372.433 0.474 10 0 FCAEHM COCCN1C[C@@H](C(=O)Nc2cc(C(=O)OC)cc(OC)c2[O-])CC1=O ZINC001640000730 1282831592 /nfs/dbraw/zinc/83/15/92/1282831592.db2.gz GOOKCWQPAWICAV-NSHDSACASA-N -1 3 366.370 0.621 10 0 FCAEHM COc1cc(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)cc2c1OCCO2 ZINC001640104275 1282837491 /nfs/dbraw/zinc/83/74/91/1282837491.db2.gz AHQZYXBKPICSKK-LBPRGKRZSA-N -1 3 372.381 0.971 10 0 FCAEHM O=C(Cn1c(=O)oc2ccccc21)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001640104478 1282838281 /nfs/dbraw/zinc/83/82/81/1282838281.db2.gz DLONNDZUYMRHBD-NSHDSACASA-N -1 3 355.354 0.485 10 0 FCAEHM COC(=O)c1ccccc1CC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001640109285 1282838896 /nfs/dbraw/zinc/83/88/96/1282838896.db2.gz CTGKKWSRVIQXAE-ZDUSSCGKSA-N -1 3 356.382 0.906 10 0 FCAEHM CCC(=O)N[C@@H](CCSC)C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001640104546 1282838980 /nfs/dbraw/zinc/83/89/80/1282838980.db2.gz GLSXZNZHESPQQB-RYUDHWBXSA-N -1 3 367.475 0.525 10 0 FCAEHM COC(=O)c1ccc(C=CC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)o1 ZINC001640110234 1282839369 /nfs/dbraw/zinc/83/93/69/1282839369.db2.gz NPBPGQYEWZHFPN-JOAKQRRISA-N -1 3 358.354 0.970 10 0 FCAEHM COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001640110375 1282840221 /nfs/dbraw/zinc/84/02/21/1282840221.db2.gz QBIUEZWJOCYHHO-NEPJUHHUSA-N -1 3 351.407 0.648 10 0 FCAEHM CCOC(=O)N1C[C@H](NC(=O)c2ccc(C(C)=O)c([O-])c2)[C@@H](CO)C1 ZINC001640283650 1282850724 /nfs/dbraw/zinc/85/07/24/1282850724.db2.gz HEZKEPONVCNIKP-OCCSQVGLSA-N -1 3 350.371 0.774 10 0 FCAEHM COc1cccc([O-])c1C(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC001640528507 1282871328 /nfs/dbraw/zinc/87/13/28/1282871328.db2.gz SVWVHPDEHCJUCJ-LLVKDONJSA-N -1 3 354.370 0.847 10 0 FCAEHM COc1cc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)sc1S(N)(=O)=O ZINC001640594848 1282879120 /nfs/dbraw/zinc/87/91/20/1282879120.db2.gz IQHMRPGXJNWZPR-ZETCQYMHSA-N -1 3 372.428 0.463 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N[C@H]1CCOC12CCOCC2 ZINC001641915501 1282981434 /nfs/dbraw/zinc/98/14/34/1282981434.db2.gz NQTQNQRFJFVOKW-LBPRGKRZSA-N -1 3 373.431 0.024 10 0 FCAEHM CC(C)C(=O)Nc1nc(CC(=O)NCCCc2c[n-][nH]c2=O)cs1 ZINC001642444978 1283011168 /nfs/dbraw/zinc/01/11/68/1283011168.db2.gz DOTWVNHJGHUFCL-JTQLQIEISA-N -1 3 351.432 0.908 10 0 FCAEHM CCOC(CCNC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)OCC ZINC001680191565 1283400657 /nfs/dbraw/zinc/40/06/57/1283400657.db2.gz PNVCXHHWRHSHQZ-LBPRGKRZSA-N -1 3 353.423 0.849 10 0 FCAEHM CCC[C@](C)(CC)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1O ZINC001682615726 1283719745 /nfs/dbraw/zinc/71/97/45/1283719745.db2.gz SMPJJBXYKOFDPO-XNJGSVPQSA-N -1 3 350.419 0.700 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CN(C(=O)CCCC(C)C)C[C@@H]1O ZINC001683632060 1284067510 /nfs/dbraw/zinc/06/75/10/1284067510.db2.gz RZLVPEOESCOZQH-OLZOCXBDSA-N -1 3 350.419 0.618 10 0 FCAEHM O=C(Cn1cccn1)NC[C@H]1CC[C@@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC001684329806 1284155867 /nfs/dbraw/zinc/15/58/67/1284155867.db2.gz MWZHSUHDIQFYMJ-QWHCGFSZSA-N -1 3 367.413 0.869 10 0 FCAEHM O=C(NCC(F)F)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001684466343 1284181018 /nfs/dbraw/zinc/18/10/18/1284181018.db2.gz AJSWVAPLPSZJCZ-WDEREUQCSA-N -1 3 369.368 0.788 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CCC(Cn2cnnc2)CC1 ZINC001684560453 1284201292 /nfs/dbraw/zinc/20/12/92/1284201292.db2.gz FSLNNNKOBAGEMK-CQSZACIVSA-N -1 3 372.433 0.474 10 0 FCAEHM CC(=O)N(C)C1CCN(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)CC1 ZINC001684556997 1284201518 /nfs/dbraw/zinc/20/15/18/1284201518.db2.gz YSIFEUYAUWXPMF-ZDUSSCGKSA-N -1 3 362.434 0.413 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CC[C@H](Nc2ncccn2)C1 ZINC001684561296 1284201870 /nfs/dbraw/zinc/20/18/70/1284201870.db2.gz MNLZFNUYIYCPHW-STQMWFEESA-N -1 3 370.417 0.447 10 0 FCAEHM CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001684563010 1284202637 /nfs/dbraw/zinc/20/26/37/1284202637.db2.gz ZWSCPYKTJJKVHL-RWMBFGLXSA-N -1 3 367.450 0.218 10 0 FCAEHM CCO[C@@H]1CN(C(=O)Cc2c(C)nc(C)[n-]c2=O)C[C@H]1CNC(=O)CC ZINC001702574730 1285739962 /nfs/dbraw/zinc/73/99/62/1285739962.db2.gz JXQCOSVXBXRCIT-UKRRQHHQSA-N -1 3 364.446 0.731 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)CCCCC(=O)NC ZINC001702633549 1285763584 /nfs/dbraw/zinc/76/35/84/1285763584.db2.gz FSBVPQONAHLRSK-WCQYABFASA-N -1 3 350.423 0.220 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)CNC(=O)C1CCCCC1 ZINC001702709805 1285808484 /nfs/dbraw/zinc/80/84/84/1285808484.db2.gz IUKVVXQAVCFAPR-YPMHNXCESA-N -1 3 362.434 0.220 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)N(CCO)C1CCN(C(=O)c2cnc[n-]c2=O)CC1 ZINC001702742823 1285834428 /nfs/dbraw/zinc/83/44/28/1285834428.db2.gz BZHUJGPOXBSLHL-TZMCWYRMSA-N -1 3 362.430 0.654 10 0 FCAEHM CC(C)OCCC(=O)N1C[C@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@@]2(C)C1 ZINC001702765771 1285842494 /nfs/dbraw/zinc/84/24/94/1285842494.db2.gz QHFQHOSVOJFKOA-SCLBCKFNSA-N -1 3 362.430 0.918 10 0 FCAEHM C[C@H](CC(=O)NC[C@H]1C[C@H](O)C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC001594224772 1286228684 /nfs/dbraw/zinc/22/86/84/1286228684.db2.gz XKNUGNUTZFOPCQ-GMTAPVOTSA-N -1 3 361.851 0.679 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)C3C[C@@H]4COC[C@H](C3)C4=O)CC2)n1 ZINC001596360051 1286298392 /nfs/dbraw/zinc/29/83/92/1286298392.db2.gz AJWNVMVQLCAFMP-AGUYFDCRSA-N -1 3 360.414 0.381 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)N[C@H](CNC(=O)c1cnc[n-]c1=O)C(C)C ZINC001704852836 1286308484 /nfs/dbraw/zinc/30/84/84/1286308484.db2.gz SGEPTRVNTHJRAP-BNOWGMLFSA-N -1 3 350.419 0.868 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@@H](O)CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001704947732 1286333870 /nfs/dbraw/zinc/33/38/70/1286333870.db2.gz AIYNQSQOJUQQOZ-FRRDWIJNSA-N -1 3 350.419 0.380 10 0 FCAEHM CC[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@](C)(CNC(=O)c2cnc[n-]c2=O)C1 ZINC001705426784 1286390080 /nfs/dbraw/zinc/39/00/80/1286390080.db2.gz BPPCRUVZIBRCFM-IAISJRAMSA-N -1 3 362.430 0.966 10 0 FCAEHM CC[C@@H](F)C(=O)N[C@@H]1CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C[C@@H]1O ZINC001735948545 1289071344 /nfs/dbraw/zinc/07/13/44/1289071344.db2.gz KCKHBMCMESSNEO-JLLWLGSASA-N -1 3 352.366 0.109 10 0 FCAEHM C[C@]1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CCN(C(=O)c2cnc[n-]c2=O)C1 ZINC001705428083 1286391517 /nfs/dbraw/zinc/39/15/17/1286391517.db2.gz YJKOINOIJQECRI-SEDUGSJDSA-N -1 3 370.413 0.677 10 0 FCAEHM COCCCOCC(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1C ZINC001719204750 1287865963 /nfs/dbraw/zinc/86/59/63/1287865963.db2.gz PUAVYLAIINNTEM-DGCLKSJQSA-N -1 3 366.418 0.120 10 0 FCAEHM NC(=O)CC(=O)NC[C@H]1CC[C@@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC001736092678 1289139674 /nfs/dbraw/zinc/13/96/74/1289139674.db2.gz VDKCJKAFRNPDAQ-NWDGAFQWSA-N -1 3 370.409 0.418 10 0 FCAEHM CCCCCC(=O)N[C@@H]1CN(C(=O)Cc2c(C)nc(C)[n-]c2=O)C[C@@H]1O ZINC001719253239 1287953874 /nfs/dbraw/zinc/95/38/74/1287953874.db2.gz IRLFUBYDZQRFSC-CABCVRRESA-N -1 3 364.446 0.610 10 0 FCAEHM COc1cccnc1CC(=O)NC[C@H]1CC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC001736118047 1289157560 /nfs/dbraw/zinc/15/75/60/1289157560.db2.gz KJBLAQCQJQFUHU-NWDGAFQWSA-N -1 3 358.402 0.466 10 0 FCAEHM CCO[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CNC(=O)[C@H](C)COC ZINC001719489728 1288145847 /nfs/dbraw/zinc/14/58/47/1288145847.db2.gz GJHNAVYSOHGRSZ-YRGRVCCFSA-N -1 3 366.418 0.058 10 0 FCAEHM CCNC(=O)CCC(=O)N1CC[C@H](NC(=O)c2cnc[n-]c2=O)[C@H]1CC ZINC001719548019 1288175643 /nfs/dbraw/zinc/17/56/43/1288175643.db2.gz HQKSQMVPRPZOOY-QWHCGFSZSA-N -1 3 363.418 0.208 10 0 FCAEHM CC(C)[C@@H](CNC(=O)c1cccc2n[n-]nc21)NC(=O)[C@]12C[C@H]1COC2 ZINC001721670859 1288364789 /nfs/dbraw/zinc/36/47/89/1288364789.db2.gz UUUIKTMMAPCBEH-FVMIAERFSA-N -1 3 357.414 0.865 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)NCCN(CCOC)C(=O)c1cnc[n-]c1=O ZINC001735471913 1288751682 /nfs/dbraw/zinc/75/16/82/1288751682.db2.gz JRBWJVAUPIHOJF-OCCSQVGLSA-N -1 3 366.418 0.202 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NCCC1(CNC(=O)[C@]23C[C@H]2COC3)CC1 ZINC001735648364 1288764741 /nfs/dbraw/zinc/76/47/41/1288764741.db2.gz LGIQRWNCRFWGNX-SGTLLEGYSA-N -1 3 360.414 0.543 10 0 FCAEHM CC(C)CO[C@@H](C)C(=O)N1CC[C@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@H]21 ZINC001735698140 1288772191 /nfs/dbraw/zinc/77/21/91/1288772191.db2.gz DADVKHNRKFDFPM-KCQAQPDRSA-N -1 3 362.430 0.916 10 0 FCAEHM C[C@H](NC(=O)C1CCCC1)C(=O)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@H]1C ZINC001736277864 1289238804 /nfs/dbraw/zinc/23/88/04/1289238804.db2.gz ADLDFDHAGFYAJM-LOWVWBTDSA-N -1 3 362.434 0.219 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1CCNC(=O)CS(C)(=O)=O ZINC001736396240 1289308273 /nfs/dbraw/zinc/30/82/73/1289308273.db2.gz OTBHAWPQDVFKJU-CHWSQXEVSA-N -1 3 368.455 0.651 10 0 FCAEHM CC(C)(C)C(=O)NCCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn[n-]n1)C2 ZINC001736493681 1289392006 /nfs/dbraw/zinc/39/20/06/1289392006.db2.gz DEVBAPBJCYEDSV-MDZLAQPJSA-N -1 3 362.434 0.219 10 0 FCAEHM O=C(COCc1cccnc1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn[n-]n1)C2 ZINC001736494571 1289392079 /nfs/dbraw/zinc/39/20/79/1289392079.db2.gz PJMLDNLOEQYBFZ-IPYPFGDCSA-N -1 3 356.386 0.278 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)COCC1CC1 ZINC001736509141 1289404195 /nfs/dbraw/zinc/40/41/95/1289404195.db2.gz GZBXEILNJWPIHK-RDBSUJKOSA-N -1 3 360.414 0.779 10 0 FCAEHM CC(C)(COCC(F)F)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn[n-]n1)C2 ZINC001736564626 1289445375 /nfs/dbraw/zinc/44/53/75/1289445375.db2.gz MTEOFGBBNXHMGN-FOGDFJRCSA-N -1 3 371.388 0.974 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1CC1 ZINC001737411307 1289546807 /nfs/dbraw/zinc/54/68/07/1289546807.db2.gz XBUAHYFMCLLMLU-SYQHCUMBSA-N -1 3 360.414 0.683 10 0 FCAEHM C[C@H](CNC(=O)[C@@H]1CCO[C@H]1c1ccncc1)NC(=O)c1cnc[n-]c1=O ZINC001737564138 1289559854 /nfs/dbraw/zinc/55/98/54/1289559854.db2.gz ZMLIJAURNQCQNL-KYOSRNDESA-N -1 3 371.397 0.590 10 0 FCAEHM CCC[C@@H]1C[C@H]1C(=O)NC1(CNCc2nc(=O)n(C)[n-]2)CCOCC1 ZINC001700248966 1289589939 /nfs/dbraw/zinc/58/99/39/1289589939.db2.gz AVNNLNIATIVUDF-CHWSQXEVSA-N -1 3 351.451 0.300 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)c2ncc(Br)cn2)[n-]1 ZINC001611154619 1289634251 /nfs/dbraw/zinc/63/42/51/1289634251.db2.gz PDBOMGLRRQCPGZ-UHFFFAOYSA-N -1 3 355.152 0.464 10 0 FCAEHM COC(=O)[C@H]1CN(C(=O)CCc2c(C)nc(C)[n-]c2=O)C[C@@H]1C(=O)OC ZINC001611699984 1289668886 /nfs/dbraw/zinc/66/88/86/1289668886.db2.gz MOJXUULTOIUSRQ-STQMWFEESA-N -1 3 365.386 0.152 10 0 FCAEHM CN(C(=O)C[N-]S(=O)(=O)c1c(F)cccc1F)[C@@H]1CN2CCC1CC2 ZINC001614992155 1289750121 /nfs/dbraw/zinc/75/01/21/1289750121.db2.gz MZLOFPPOAOGTEZ-CQSZACIVSA-N -1 3 373.425 0.796 10 0 FCAEHM CCC[C@H](OC)C(=O)N1C[C@@H]2CCN(C(=O)c3c(C)nc[n-]c3=O)[C@@H]2C1 ZINC001702145925 1289751493 /nfs/dbraw/zinc/75/14/93/1289751493.db2.gz GWCFHAGHODXAQI-MJBXVCDLSA-N -1 3 362.430 0.979 10 0 FCAEHM COc1ccccc1-c1nnc(CC(=O)NCCc2c(C)[n-][nH]c2=O)o1 ZINC001615964204 1289767420 /nfs/dbraw/zinc/76/74/20/1289767420.db2.gz YDELYIHRQHOFMM-LLVKDONJSA-N -1 3 357.370 0.916 10 0 FCAEHM CC/C(C)=C\C(=O)N[C@@H]1CN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C[C@H]1O ZINC001702174682 1289783721 /nfs/dbraw/zinc/78/37/21/1289783721.db2.gz UVSOMQYOWCSIMV-XCTAYMRMSA-N -1 3 371.393 0.228 10 0 FCAEHM CCC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1)C(C)C ZINC001702185263 1289805178 /nfs/dbraw/zinc/80/51/78/1289805178.db2.gz CRNVBBRADANNNB-MRVWCRGKSA-N -1 3 350.419 0.556 10 0 FCAEHM O=C(CCc1ccsc1)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1O ZINC001702185412 1289807530 /nfs/dbraw/zinc/80/75/30/1289807530.db2.gz DRBVRHQRIJBWJX-CHWSQXEVSA-N -1 3 362.411 0.178 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@]2(C)CCNC2=O)ccc1F ZINC001617644552 1289853226 /nfs/dbraw/zinc/85/32/26/1289853226.db2.gz GKVJVWPZAIUMFS-HNNXBMFYSA-N -1 3 357.407 0.521 10 0 FCAEHM CN1C(=O)CN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)CC1=O ZINC001617866672 1289870351 /nfs/dbraw/zinc/87/03/51/1289870351.db2.gz NXSDNKNZQRXOKH-UHFFFAOYSA-N -1 3 359.791 0.152 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])N1CC[C@](O)(C2CC2)C1 ZINC001617975871 1289877287 /nfs/dbraw/zinc/87/72/87/1289877287.db2.gz CKYXXRXRTASCFL-GOSISDBHSA-N -1 3 359.357 0.861 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c([O-])cc1=O)N1CC[C@](O)(C2CC2)C1 ZINC001617975871 1289877305 /nfs/dbraw/zinc/87/73/05/1289877305.db2.gz CKYXXRXRTASCFL-GOSISDBHSA-N -1 3 359.357 0.861 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H](O)C(C)C)C1 ZINC001702246218 1289908348 /nfs/dbraw/zinc/90/83/48/1289908348.db2.gz KNDKPQDWRDGCKE-DJSGYFEHSA-N -1 3 364.446 0.403 10 0 FCAEHM C[C@@H](CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1)CC(C)(C)C ZINC001739434199 1289977474 /nfs/dbraw/zinc/97/74/74/1289977474.db2.gz DLZXGCIOSYTIOG-IACUBPJLSA-N -1 3 364.446 0.946 10 0 FCAEHM COC(=O)[C@@H]1CN(C)C(=O)CN1Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001620643835 1290012155 /nfs/dbraw/zinc/01/21/55/1290012155.db2.gz RNKLKWAVHWEMLC-AWEZNQCLSA-N -1 3 356.382 0.665 10 0 FCAEHM COc1ccc(C(=O)[N-]C(=O)CN2CCC[C@@H](c3cn(C)nn3)C2)cc1 ZINC001620663121 1290014284 /nfs/dbraw/zinc/01/42/84/1290014284.db2.gz SSPSZANOCFAPJC-CQSZACIVSA-N -1 3 357.414 0.960 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1NC(=O)CCc1nccs1 ZINC001739514473 1290094397 /nfs/dbraw/zinc/09/43/97/1290094397.db2.gz WWHAIHNUVNZQLO-ZYHUDNBSSA-N -1 3 361.427 0.848 10 0 FCAEHM Cn1cc([C@H](O)CNC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])cn1 ZINC001622383228 1290126160 /nfs/dbraw/zinc/12/61/60/1290126160.db2.gz RNWMXVPJQDSCHR-CQSZACIVSA-N -1 3 373.344 0.071 10 0 FCAEHM Cn1cc([C@H](O)CNC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)cn1 ZINC001622383228 1290126163 /nfs/dbraw/zinc/12/61/63/1290126163.db2.gz RNWMXVPJQDSCHR-CQSZACIVSA-N -1 3 373.344 0.071 10 0 FCAEHM CO[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1NC(=O)C=Cc1ccc[nH]1 ZINC001739573174 1290176747 /nfs/dbraw/zinc/17/67/47/1290176747.db2.gz VHYJEHSYSHCTDJ-KOABKASLSA-N -1 3 357.370 0.179 10 0 FCAEHM CO[C@]1(CNC(=O)c2c[n-]c3ccccc3c2=O)CCS(=O)(=O)C1 ZINC001626280650 1290386049 /nfs/dbraw/zinc/38/60/49/1290386049.db2.gz YOFBZOKYDCDLAL-INIZCTEOSA-N -1 3 350.396 0.462 10 0 FCAEHM NC(=O)c1ncc([N-]C(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)s1 ZINC001626400932 1290396297 /nfs/dbraw/zinc/39/62/97/1290396297.db2.gz WNAXUNORZMLPQV-UHFFFAOYSA-N -1 3 370.412 0.872 10 0 FCAEHM CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1c(C)[n-][nH]c1=O ZINC001627151998 1290440556 /nfs/dbraw/zinc/44/05/56/1290440556.db2.gz ADXJQXFIHBIHJJ-QWRGUYRKSA-N -1 3 370.406 0.071 10 0 FCAEHM CCS(=O)(=O)c1ccccc1CC(=O)NCCc1c(C)[n-][nH]c1=O ZINC001627152028 1290440834 /nfs/dbraw/zinc/44/08/34/1290440834.db2.gz BLORJWGKHVXHLF-ZDUSSCGKSA-N -1 3 351.428 0.651 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H](CS(C)(=O)=O)c1ccccc1 ZINC001627153028 1290441888 /nfs/dbraw/zinc/44/18/88/1290441888.db2.gz MREOVCRXQIMLPL-ZIAGYGMSSA-N -1 3 351.428 0.443 10 0 FCAEHM O=C(N[C@@H](CO)CN1CCCCC1)c1nc[n-]c(=O)c1Br ZINC001627303542 1290454162 /nfs/dbraw/zinc/45/41/62/1290454162.db2.gz MAUCTGWOKQRBQO-SECBINFHSA-N -1 3 359.224 0.521 10 0 FCAEHM C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1nc[n-]c(=O)c1Br ZINC001627306732 1290455648 /nfs/dbraw/zinc/45/56/48/1290455648.db2.gz KIEGSGLRNYJWOQ-MRVPVSSYSA-N -1 3 372.223 0.137 10 0 FCAEHM O=C(NCc1nc(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc(=O)[n-]1)C(F)F ZINC001739980040 1290457090 /nfs/dbraw/zinc/45/70/90/1290457090.db2.gz BXFIMSFAWLERMM-BBBLOLIVSA-N -1 3 356.329 0.247 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NCc1nc(CNC(=O)[C@@H](OC)C2CC2)cc(=O)[n-]1 ZINC001739983757 1290459169 /nfs/dbraw/zinc/45/91/69/1290459169.db2.gz UZYXZDMQTNKLMG-ZXIHIIQKSA-N -1 3 362.430 0.886 10 0 FCAEHM CCNC(=O)CCCC(=O)N[C@H]1CCN(C(=O)c2cnc[n-]c2=O)[C@@H]1C ZINC001740089297 1290487726 /nfs/dbraw/zinc/48/77/26/1290487726.db2.gz WFJAYVBQJSJWBZ-YPMHNXCESA-N -1 3 363.418 0.208 10 0 FCAEHM CC[C@@H](C)OCC(=O)N1C[C@@H](CNC(=O)c2cnc[n-]c2=O)[C@H](C)C1 ZINC001740177432 1290508716 /nfs/dbraw/zinc/50/87/16/1290508716.db2.gz BWEKSNYCFPQDCL-JHJVBQTASA-N -1 3 350.419 0.822 10 0 FCAEHM CN(C(=O)c1ccc(NC(=O)CCc2nnn[n-]2)cc1)[C@@H]1CCCN(C)C1 ZINC001628166840 1290512770 /nfs/dbraw/zinc/51/27/70/1290512770.db2.gz CCCPCEIWYHYTMF-OAHLLOKOSA-N -1 3 371.445 0.937 10 0 FCAEHM NS(=O)(=O)Cc1ccc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)cc1 ZINC001628244589 1290518809 /nfs/dbraw/zinc/51/88/09/1290518809.db2.gz FDPLKHNWKGTYEO-GFCCVEGCSA-N -1 3 350.400 0.534 10 0 FCAEHM C[C@@]1(c2ccc(C(=O)N3CC[C@@H](c4cc(=O)[nH][n-]4)C3)cc2)NC(=O)NC1=O ZINC001628247488 1290519763 /nfs/dbraw/zinc/51/97/63/1290519763.db2.gz YULHUVKUQVXAMO-ZMZPIMSZSA-N -1 3 369.381 0.800 10 0 FCAEHM CNS(=O)(=O)c1csc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)c1 ZINC001628245775 1290519830 /nfs/dbraw/zinc/51/98/30/1290519830.db2.gz MTCLNAUOVZJOFA-QMMMGPOBSA-N -1 3 356.429 0.715 10 0 FCAEHM CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001628251687 1290520485 /nfs/dbraw/zinc/52/04/85/1290520485.db2.gz MJFISKOAOPPBHZ-QMTHXVAHSA-N -1 3 356.448 0.538 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)[C@]2(Cc3ccccc3)CCN(C)C2=O)n[n-]1 ZINC001628596133 1290543284 /nfs/dbraw/zinc/54/32/84/1290543284.db2.gz RWAWBHNSPXIMKU-GOSISDBHSA-N -1 3 371.397 0.550 10 0 FCAEHM C[C@H]1C(=O)N([N-]C(=O)c2ccc3c(c2)nc2n(c3=O)CCC2)C(=O)N1C ZINC001629880395 1290631171 /nfs/dbraw/zinc/63/11/71/1290631171.db2.gz IKUKYXQIAQNTCX-VIFPVBQESA-N -1 3 355.354 0.270 10 0 FCAEHM CO[C@H]1CCn2cc(C(=O)NCCNC(=O)c3ccc([O-])cc3)nc2C1 ZINC001630331494 1290660957 /nfs/dbraw/zinc/66/09/57/1290660957.db2.gz LZYXIQLAHBNSIK-AWEZNQCLSA-N -1 3 358.398 0.710 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)c1cc2nccc(C(F)(F)F)n2n1 ZINC001630631483 1290682334 /nfs/dbraw/zinc/68/23/34/1290682334.db2.gz JUZGNJITSPCIEK-QMMMGPOBSA-N -1 3 354.292 0.990 10 0 FCAEHM CS(=O)(=O)c1cc(C(=O)NCCCc2c[n-][nH]c2=O)c(Cl)cn1 ZINC001630631256 1290682690 /nfs/dbraw/zinc/68/26/90/1290682690.db2.gz GPGMKCSPANAPGB-QMMMGPOBSA-N -1 3 358.807 0.380 10 0 FCAEHM CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)NCCCc2c[n-][nH]c2=O)=NO1 ZINC001630632734 1290684718 /nfs/dbraw/zinc/68/47/18/1290684718.db2.gz XFMSPVDMRXOGRR-MNOVXSKESA-N -1 3 367.406 0.284 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C(=O)OC)c2ccnn2C)c1 ZINC001630881803 1290707819 /nfs/dbraw/zinc/70/78/19/1290707819.db2.gz YGETYRIWLSJAJK-HNNXBMFYSA-N -1 3 358.354 0.894 10 0 FCAEHM Cn1nccc1[C@H](O)C1CCN(Cc2nc3c(c(=O)[n-]2)COCC3)CC1 ZINC001643928416 1290929242 /nfs/dbraw/zinc/92/92/42/1290929242.db2.gz VABNXAYXENXNLK-QGZVFWFLSA-N -1 3 359.430 0.934 10 0 FCAEHM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)[C@@H]1CCCN1Cc1ccccn1 ZINC001644156172 1290944911 /nfs/dbraw/zinc/94/49/11/1290944911.db2.gz FWGVQABNQYUYLS-INIZCTEOSA-N -1 3 369.425 0.931 10 0 FCAEHM O=C([C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001644261144 1290950527 /nfs/dbraw/zinc/95/05/27/1290950527.db2.gz NYSAWXDTKUATSK-IWSPIJDZSA-N -1 3 367.349 0.654 10 0 FCAEHM CS(=O)(=O)C[C@@H](C(=O)NCc1cc(=O)[n-]c(=S)[nH]1)c1ccccc1 ZINC001644273139 1290952133 /nfs/dbraw/zinc/95/21/33/1290952133.db2.gz ONLBAOVRCSHCBA-GFCCVEGCSA-N -1 3 367.452 0.916 10 0 FCAEHM CCc1cc2c(CN(CC(=O)NC)CC(=O)NC)cc(=O)oc2cc1[O-] ZINC001644390387 1290958738 /nfs/dbraw/zinc/95/87/38/1290958738.db2.gz FAYPJFPNJXDSLI-UHFFFAOYSA-N -1 3 361.398 0.355 10 0 FCAEHM O=C([C@@H]1CNC(=O)C[C@@H]1C(F)(F)F)N1CCC(Cc2nnn[n-]2)CC1 ZINC001644765376 1290982392 /nfs/dbraw/zinc/98/23/92/1290982392.db2.gz KXBREOPBNSPFQO-ZJUUUORDSA-N -1 3 360.340 0.295 10 0 FCAEHM O=C([C@@H]1CNC(=O)C[C@@H]1C(F)(F)F)N1CCC(Cc2nn[n-]n2)CC1 ZINC001644765376 1290982400 /nfs/dbraw/zinc/98/24/00/1290982400.db2.gz KXBREOPBNSPFQO-ZJUUUORDSA-N -1 3 360.340 0.295 10 0 FCAEHM O=C([C@@H]1CNC(=O)C[C@H]1C(F)(F)F)N1CCC(Cc2nnn[n-]2)CC1 ZINC001644765373 1290982832 /nfs/dbraw/zinc/98/28/32/1290982832.db2.gz KXBREOPBNSPFQO-NXEZZACHSA-N -1 3 360.340 0.295 10 0 FCAEHM O=C([C@@H]1CNC(=O)C[C@H]1C(F)(F)F)N1CCC(Cc2nn[n-]n2)CC1 ZINC001644765373 1290982837 /nfs/dbraw/zinc/98/28/37/1290982837.db2.gz KXBREOPBNSPFQO-NXEZZACHSA-N -1 3 360.340 0.295 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC001647858573 1291079466 /nfs/dbraw/zinc/07/94/66/1291079466.db2.gz IZLIDSWJHODDNM-LLVKDONJSA-N -1 3 357.345 0.613 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCN(S(=O)(=O)CC)CC2)c1 ZINC001648138645 1291105159 /nfs/dbraw/zinc/10/51/59/1291105159.db2.gz FNXCELUWPVBLLO-UHFFFAOYSA-N -1 3 367.427 0.624 10 0 FCAEHM CC(C)(C)OC(=O)CS(=O)(=O)CCN1CCC(Cc2nnn[n-]2)CC1 ZINC001648208179 1291111330 /nfs/dbraw/zinc/11/13/30/1291111330.db2.gz KXPZHMXBEAXGCO-UHFFFAOYSA-N -1 3 373.479 0.211 10 0 FCAEHM CC(C)(C)OC(=O)CS(=O)(=O)CCN1CCC(Cc2nn[n-]n2)CC1 ZINC001648208179 1291111332 /nfs/dbraw/zinc/11/13/32/1291111332.db2.gz KXPZHMXBEAXGCO-UHFFFAOYSA-N -1 3 373.479 0.211 10 0 FCAEHM Cn1cc(C(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)c(=O)n(C)c1=O ZINC001648504545 1291126941 /nfs/dbraw/zinc/12/69/41/1291126941.db2.gz KXMCADIXNPWVGK-XYPYZODXSA-N -1 3 359.386 0.036 10 0 FCAEHM C[C@@]1([C@@H]2CCCN(C(=O)c3ccc4c(c3)C(=O)[N-]C4=O)C2)COC(=O)N1 ZINC001651231872 1291207794 /nfs/dbraw/zinc/20/77/94/1291207794.db2.gz FDNJHDLDOHACPL-ZMZPIMSZSA-N -1 3 357.366 0.921 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](NC(=O)OC)C2)ccc1F ZINC001651709825 1291234968 /nfs/dbraw/zinc/23/49/68/1291234968.db2.gz NJSJZZNXEYIQOO-JTQLQIEISA-N -1 3 359.379 0.304 10 0 FCAEHM COc1ccc(COCC(=O)N2CCN(c3nc(C)cc(=O)[n-]3)CC2)cn1 ZINC001652070485 1291258027 /nfs/dbraw/zinc/25/80/27/1291258027.db2.gz CEUYYIVLEKALGX-UHFFFAOYSA-N -1 3 373.413 0.760 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)c3ccc4nnn(C)c4c3)CC2)n1 ZINC001652071453 1291258781 /nfs/dbraw/zinc/25/87/81/1291258781.db2.gz YXGWMJXNEPUDKW-UHFFFAOYSA-N -1 3 353.386 0.735 10 0 FCAEHM O=C(Nc1c(F)cccc1F)C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001653312109 1291334829 /nfs/dbraw/zinc/33/48/29/1291334829.db2.gz BFROXXSDRVVJCU-SECBINFHSA-N -1 3 363.324 0.794 10 0 FCAEHM C[C@H](CC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)NC(=O)C1CCCC1 ZINC001653312546 1291335310 /nfs/dbraw/zinc/33/53/10/1291335310.db2.gz LDINCSQKJQDESV-OCCSQVGLSA-N -1 3 361.446 0.962 10 0 FCAEHM O=C(Nc1c(F)cccc1F)C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001653312110 1291335419 /nfs/dbraw/zinc/33/54/19/1291335419.db2.gz BFROXXSDRVVJCU-VIFPVBQESA-N -1 3 363.324 0.794 10 0 FCAEHM C[C@@H](NC(=O)CN1Cc2nc(C3CC3)[n-]c(=O)c2C1)C(=O)N1CCCCC1 ZINC001654688940 1291427557 /nfs/dbraw/zinc/42/75/57/1291427557.db2.gz JFENWURYLDTLNU-GFCCVEGCSA-N -1 3 373.457 0.892 10 0 FCAEHM COC(=O)CN(C)C(=O)CCN1CCC[C@@H]1c1ncc(OC)c(=O)[n-]1 ZINC001660521948 1291663369 /nfs/dbraw/zinc/66/33/69/1291663369.db2.gz GCXXBEJHWWWFEL-LLVKDONJSA-N -1 3 352.391 0.349 10 0 FCAEHM C[C@@H](CNCc1nc(=O)n(C)[n-]1)N(C)C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001666947744 1291925825 /nfs/dbraw/zinc/92/58/25/1291925825.db2.gz JNXXJAROVIBVMZ-FPMFFAJLSA-N -1 3 351.451 0.108 10 0 FCAEHM CC(C)C[C@@H](CNCc1nc(=O)n(C)[n-]1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001667108900 1291928019 /nfs/dbraw/zinc/92/80/19/1291928019.db2.gz SZHWOVOLDRCDFE-DGAVXFQQSA-N -1 3 351.451 0.296 10 0 FCAEHM O=C(NC[C@@H](O)CNCc1cc(=O)n2[n-]ccc2n1)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001667864838 1291946944 /nfs/dbraw/zinc/94/69/44/1291946944.db2.gz GKSCFFZGSJHFQK-QCEMKRCNSA-N -1 3 373.457 0.416 10 0 FCAEHM C[C@H](CNCc1nc(=O)n(C)[n-]1)NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC001669395826 1291992242 /nfs/dbraw/zinc/99/22/42/1291992242.db2.gz RWVNMOVBQWTWHP-GMTAPVOTSA-N -1 3 365.384 0.785 10 0 FCAEHM CCOC(=O)[C@@H](F)C1CN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC001675456440 1292177661 /nfs/dbraw/zinc/17/76/61/1292177661.db2.gz GVZNJSZCJRCXDF-ZDUSSCGKSA-N -1 3 368.365 0.298 10 0 FCAEHM O=C(NCC[C@H](Cc1ccccc1)NCc1n[nH]c(=O)[n-]1)[C@]12C[C@H]1COC2 ZINC001676899302 1292219966 /nfs/dbraw/zinc/21/99/66/1292219966.db2.gz XGIROZRRQJFMKD-KHYOSLBOSA-N -1 3 371.441 0.754 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N(C)[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001678225293 1292254609 /nfs/dbraw/zinc/25/46/09/1292254609.db2.gz ZJQQDGDFUGPYNO-MVWJERBFSA-N -1 3 358.402 0.594 10 0 FCAEHM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)NC[C@@H](O)c1ccccc1F ZINC001684869537 1292346551 /nfs/dbraw/zinc/34/65/51/1292346551.db2.gz PLKPQWGAVBCEIQ-CQSZACIVSA-N -1 3 362.361 0.927 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)CCOC[C@@H]1CCCO1 ZINC001684953830 1292381208 /nfs/dbraw/zinc/38/12/08/1292381208.db2.gz LSYOLCDYTHXPHQ-KCQAQPDRSA-N -1 3 365.434 0.500 10 0 FCAEHM CO[C@H](C)CCC(=O)N1CC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@@H]2C1 ZINC001685083267 1292421663 /nfs/dbraw/zinc/42/16/63/1292421663.db2.gz YWLGYTOTNGQCRQ-MCIONIFRSA-N -1 3 362.430 0.918 10 0 FCAEHM C[C@@H](Oc1cccnc1)C(=O)N[C@H]1CCN(C(=O)c2cnc[n-]c2=O)[C@@H]1C ZINC001685384064 1292522216 /nfs/dbraw/zinc/52/22/16/1292522216.db2.gz WIWQBJQKLDQOIR-JMSVASOKSA-N -1 3 371.397 0.764 10 0 FCAEHM COC[C@@H](OC)C(=O)N1C[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@]2(C)C1 ZINC001685487934 1292538460 /nfs/dbraw/zinc/53/84/60/1292538460.db2.gz LMFGCWVGQMZOOQ-URKNILKWSA-N -1 3 362.426 0.974 10 0 FCAEHM O=C(NC[C@H](O)c1ccccc1F)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001685575322 1292562806 /nfs/dbraw/zinc/56/28/06/1292562806.db2.gz VCPYZWKKAWXDSH-FZMZJTMJSA-N -1 3 361.377 0.933 10 0 FCAEHM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001685645075 1292580521 /nfs/dbraw/zinc/58/05/21/1292580521.db2.gz MAQYRJABWZWRIP-IJLUTSLNSA-N -1 3 371.463 0.224 10 0 FCAEHM COC(=O)[C@@]1(C)CN(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)C[C@@H]1C ZINC001685649376 1292582970 /nfs/dbraw/zinc/58/29/70/1292582970.db2.gz IUKHRDQZMPUDDH-JKDFXYPNSA-N -1 3 363.418 0.602 10 0 FCAEHM COC(=O)c1ccc(CNC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)o1 ZINC001685649439 1292583036 /nfs/dbraw/zinc/58/30/36/1292583036.db2.gz KFBMIAGJYWUVAT-JTQLQIEISA-N -1 3 361.358 0.640 10 0 FCAEHM COCCC(=O)N1C[C@@H](CNC(=O)Cc2c(C)nc(C)[n-]c2=O)[C@H](C)C1 ZINC001685674486 1292590459 /nfs/dbraw/zinc/59/04/59/1292590459.db2.gz VEUMJXHGEUDKFW-BXUZGUMPSA-N -1 3 364.446 0.589 10 0 FCAEHM Cn1nccc1[C@H]1COCCN1C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001687789880 1293013670 /nfs/dbraw/zinc/01/36/70/1293013670.db2.gz NJXBJDOLYPSAGJ-TZMCWYRMSA-N -1 3 373.417 0.278 10 0 FCAEHM COCCN1C(=O)c2ccc(C(=O)[N-]c3cnoc3)cc2S1(=O)=O ZINC000749555739 836372460 /nfs/dbraw/zinc/37/24/60/836372460.db2.gz GGOUDFCUTPLUHX-UHFFFAOYSA-N -1 3 351.340 0.718 10 0 FCAEHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]CCc1nc(C)no1 ZINC000751058143 836462885 /nfs/dbraw/zinc/46/28/85/836462885.db2.gz UVYGQGLXWMKCCJ-UHFFFAOYSA-N -1 3 360.779 0.734 10 0 FCAEHM Cc1ccc(Br)c(CS(=O)(=O)[N-]Cc2nnn(C)n2)c1 ZINC001118995510 847665547 /nfs/dbraw/zinc/66/55/47/847665547.db2.gz DOYYNOOCYKONQC-UHFFFAOYSA-N -1 3 360.237 0.901 10 0 FCAEHM COC[C@@H]1CN(c2nnc(-c3nnc(Cl)[n-]3)n2CC2CC2)CCO1 ZINC001123594187 848610343 /nfs/dbraw/zinc/61/03/43/848610343.db2.gz JOYIETCTCZIBCC-JTQLQIEISA-N -1 3 353.814 0.978 10 0 FCAEHM COC[C@@H]1CN(c2nnc(-c3n[n-]c(Cl)n3)n2CC2CC2)CCO1 ZINC001123594187 848610344 /nfs/dbraw/zinc/61/03/44/848610344.db2.gz JOYIETCTCZIBCC-JTQLQIEISA-N -1 3 353.814 0.978 10 0 FCAEHM Cn1nc(C(=O)N2CCC(Cc3nnn[n-]3)CC2)cc1Br ZINC001123983646 848663283 /nfs/dbraw/zinc/66/32/83/848663283.db2.gz OXPRODXFXSYUNL-UHFFFAOYSA-N -1 3 354.212 0.791 10 0 FCAEHM Cn1nc(C(=O)N2CCC(Cc3nn[n-]n3)CC2)cc1Br ZINC001123983646 848663291 /nfs/dbraw/zinc/66/32/91/848663291.db2.gz OXPRODXFXSYUNL-UHFFFAOYSA-N -1 3 354.212 0.791 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC001136652756 849232635 /nfs/dbraw/zinc/23/26/35/849232635.db2.gz CCRKKIOJBKEXFO-VIFPVBQESA-N -1 3 358.807 0.229 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC001136652755 849233154 /nfs/dbraw/zinc/23/31/54/849233154.db2.gz CCRKKIOJBKEXFO-SECBINFHSA-N -1 3 358.807 0.229 10 0 FCAEHM O=C(Cc1ccc([O-])c(F)c1)NCCNS(=O)(=O)c1cccnc1 ZINC001137686059 849277699 /nfs/dbraw/zinc/27/76/99/849277699.db2.gz BCPKUNAWXKGZIM-UHFFFAOYSA-N -1 3 353.375 0.564 10 0 FCAEHM CC(C)(CN1CCOCC1)C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC001137775001 849283946 /nfs/dbraw/zinc/28/39/46/849283946.db2.gz OWJWZEILGQAKSI-UHFFFAOYSA-N -1 3 357.432 0.337 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cccc(S(=O)(=O)C(F)F)c1 ZINC001144232769 849513779 /nfs/dbraw/zinc/51/37/79/849513779.db2.gz IWLGPOBTMOMYQM-NSHDSACASA-N -1 3 359.354 0.925 10 0 FCAEHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC001144519317 849524851 /nfs/dbraw/zinc/52/48/51/849524851.db2.gz KSEVAZQDULNBJR-NKWVEPMBSA-N -1 3 350.322 0.544 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)C[C@H]2CCC3(CCOCC3)CO2)n[n-]1 ZINC001147683379 849588473 /nfs/dbraw/zinc/58/84/73/849588473.db2.gz HIQKIJNNHBXALN-LLVKDONJSA-N -1 3 352.391 0.825 10 0 FCAEHM CN(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)cn1 ZINC001164321621 850407541 /nfs/dbraw/zinc/40/75/41/850407541.db2.gz IYFJXTJJGWVUQD-LLVKDONJSA-N -1 3 365.415 0.390 10 0 FCAEHM CS(=O)(=O)c1cc(C(=O)N2CCC(Cc3nnn[n-]3)CC2)ccc1F ZINC001176780662 850801332 /nfs/dbraw/zinc/80/13/32/850801332.db2.gz XDVRKHNYPFVGFV-UHFFFAOYSA-N -1 3 367.406 0.837 10 0 FCAEHM CS(=O)(=O)c1cc(C(=O)N2CCC(Cc3nn[n-]n3)CC2)ccc1F ZINC001176780662 850801336 /nfs/dbraw/zinc/80/13/36/850801336.db2.gz XDVRKHNYPFVGFV-UHFFFAOYSA-N -1 3 367.406 0.837 10 0 FCAEHM CCc1onc(C)c1CNC(=O)C[N-]S(=O)(=O)c1c(C)noc1C ZINC001184370553 851301467 /nfs/dbraw/zinc/30/14/67/851301467.db2.gz RJEARUWIDLHDDK-UHFFFAOYSA-N -1 3 356.404 0.745 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)C[C@H]3C=CS(=O)(=O)C3)cc2n(C)c1=O ZINC001261212235 858497640 /nfs/dbraw/zinc/49/76/40/858497640.db2.gz VWSURLOKEQMBQZ-SECBINFHSA-N -1 3 351.384 0.470 10 0 FCAEHM CCN1CCN(C[C@@H](C)CNC(=O)N[C@@]2(C(=O)[O-])CCSC2)CC1 ZINC001262175516 858807567 /nfs/dbraw/zinc/80/75/67/858807567.db2.gz JCFQNLWWVBXDFQ-BBRMVZONSA-N -1 3 358.508 0.520 10 0 FCAEHM CO[C@@H](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNCc1nc(=O)n(C)[n-]1 ZINC001263986666 859268657 /nfs/dbraw/zinc/26/86/57/859268657.db2.gz NEUZVMIECOECOQ-RDBSUJKOSA-N -1 3 353.467 0.640 10 0 FCAEHM COC[C@H](O)CN1CC[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)[C@H]1C ZINC001264727311 859442133 /nfs/dbraw/zinc/44/21/33/859442133.db2.gz GKEMARULURIQDM-MXWKQRLJSA-N -1 3 350.375 0.128 10 0 FCAEHM CCO[C@@H](C(=O)Nc1c(C(=O)OC)c[n-]c1C(=O)OC)[C@H]1CCOC1 ZINC001269492192 859550162 /nfs/dbraw/zinc/55/01/62/859550162.db2.gz MSFLOYQWABHRPR-TVQRCGJNSA-N -1 3 354.359 0.968 10 0 FCAEHM CCCCO[C@@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001281639800 863561483 /nfs/dbraw/zinc/56/14/83/863561483.db2.gz DTKOBQBZBFZLRN-JGGQBBKZSA-N -1 3 350.415 0.899 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2c(C)nc[n-]c2=O)CCN1C(=O)[C@H](C)COC ZINC001282273163 864158982 /nfs/dbraw/zinc/15/89/82/864158982.db2.gz VABAGUWAEQFXBK-KGYLQXTDSA-N -1 3 350.419 0.882 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@@H](O)CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001285449259 864633590 /nfs/dbraw/zinc/63/35/90/864633590.db2.gz XHLKVPIVHUZIPU-QJPTWQEYSA-N -1 3 350.419 0.380 10 0 FCAEHM COC(=O)COCC(=O)Nc1ncc(S(=O)(=O)[N-]C(C)(C)C)s1 ZINC001287883607 864756762 /nfs/dbraw/zinc/75/67/62/864756762.db2.gz XDXMUMYPWGBMOH-UHFFFAOYSA-N -1 3 365.433 0.348 10 0 FCAEHM COCC(C)(C)CC(=O)N[C@H]1CCN(C(=O)c2cnc[n-]c2=O)[C@@H]1C ZINC001290678002 865489467 /nfs/dbraw/zinc/48/94/67/865489467.db2.gz AUDQYCJRKQDAOF-YPMHNXCESA-N -1 3 350.419 0.964 10 0 FCAEHM CO[C@H](CC(C)C)C(=O)N[C@H]1CCN(C(=O)c2cnc[n-]c2=O)[C@@H]1C ZINC001290720183 865502746 /nfs/dbraw/zinc/50/27/46/865502746.db2.gz PAVWTKUQDBENRL-KWCYVHTRSA-N -1 3 350.419 0.963 10 0 FCAEHM CCC[C@@H](OC)C(=O)NC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001290962916 865572141 /nfs/dbraw/zinc/57/21/41/865572141.db2.gz ASIOEDSGBCPNJL-YRGRVCCFSA-N -1 3 350.419 0.822 10 0 FCAEHM CO[C@@H](CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn[n-]n1)C2)C(F)(F)F ZINC001291924741 865655208 /nfs/dbraw/zinc/65/52/08/865655208.db2.gz QBOFMTXNCABAPG-IFFSRLJSSA-N -1 3 361.324 0.634 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F ZINC001292969940 865765422 /nfs/dbraw/zinc/76/54/22/865765422.db2.gz QYANIDSRFFNQKO-VHSXEESVSA-N -1 3 364.324 0.778 10 0 FCAEHM O=C(NCCNC(=O)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc([O-])cc1 ZINC001294909069 865862414 /nfs/dbraw/zinc/86/24/14/865862414.db2.gz NVMQIVVSZCZDBZ-XMQYKBBCSA-N -1 3 366.439 0.594 10 0 FCAEHM COC(=O)c1ccc(C(=O)Nc2cnn(C[C@H](O)CN(C)OC)c2)[n-]1 ZINC001295119988 865879279 /nfs/dbraw/zinc/87/92/79/865879279.db2.gz WCFGRLCRSXVAQV-LLVKDONJSA-N -1 3 351.363 0.104 10 0 FCAEHM CC[C@@H](CNC(=O)c1c(C)nc[n-]c1=O)NC(=O)[C@@H]1CCO[C@H]1CC ZINC001297469160 866034315 /nfs/dbraw/zinc/03/43/15/866034315.db2.gz ABPJOPHPGURIEA-XQQFMLRXSA-N -1 3 350.419 0.930 10 0 FCAEHM NS(=O)(=O)c1ccc(OCC(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)cc1 ZINC001300193706 866213463 /nfs/dbraw/zinc/21/34/63/866213463.db2.gz HPTTZPDVOYSCFP-JTQLQIEISA-N -1 3 366.399 0.158 10 0 FCAEHM O=C([N-]N1Cc2ccc(Br)cc2C1=O)c1cnn(CCO)c1 ZINC001301007703 866241435 /nfs/dbraw/zinc/24/14/35/866241435.db2.gz VWRPQEWCMMAONL-UHFFFAOYSA-N -1 3 365.187 0.939 10 0 FCAEHM C[C@H]1C(=O)N([N-]C(=O)c2ccc(S(=O)(=O)C3CCC3)cc2)C(=O)N1C ZINC001301135357 866249463 /nfs/dbraw/zinc/24/94/63/866249463.db2.gz OPDMPOOLALGAAU-JTQLQIEISA-N -1 3 365.411 0.940 10 0 FCAEHM CC[C@H](COCC1CC1)NC(=O)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC001350832789 866703988 /nfs/dbraw/zinc/70/39/88/866703988.db2.gz BUIZEFLLXWHUAR-SECBINFHSA-N -1 3 363.340 0.761 10 0 FCAEHM CCS(=O)(=O)c1ccc(CC(=O)N(CCN(C)C)CC(=O)[O-])cc1 ZINC001319355905 867896368 /nfs/dbraw/zinc/89/63/68/867896368.db2.gz NRSOFMIITKOUCE-UHFFFAOYSA-N -1 3 356.444 0.498 10 0 FCAEHM COC[C@](C)(O)CCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC001324582512 869626782 /nfs/dbraw/zinc/62/67/82/869626782.db2.gz NYFPBNWTGZTEGD-MRXNPFEDSA-N -1 3 374.434 0.784 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)C[C@@H]3CCCS(=O)(=O)C3)cc2n(C)c1=O ZINC001326468460 870334820 /nfs/dbraw/zinc/33/48/20/870334820.db2.gz VBIAXDBRMMXGTI-JTQLQIEISA-N -1 3 367.427 0.736 10 0 FCAEHM CCCCCCC(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@@H]1O ZINC001343724803 870572655 /nfs/dbraw/zinc/57/26/55/870572655.db2.gz DTQJZARWEKQBMN-OLZOCXBDSA-N -1 3 350.419 0.763 10 0 FCAEHM CCOC(=O)N1CCC(NC(=O)CN2CC[C@H](C)[C@@H](C(=O)[O-])C2)CC1 ZINC001327208796 870717827 /nfs/dbraw/zinc/71/78/27/870717827.db2.gz PNHSUBYCNBIPOT-JSGCOSHPSA-N -1 3 355.435 0.766 10 0 FCAEHM CN(C)CCN(CC(=O)[O-])C(=O)[C@H](C[C@@H]1COCCO1)C(F)(F)F ZINC001327930074 871144819 /nfs/dbraw/zinc/14/48/19/871144819.db2.gz ZSXMGSFAUPEMPB-MNOVXSKESA-N -1 3 356.341 0.445 10 0 FCAEHM CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)N[C@H]1C[C@H](C(N)=O)C1 ZINC001328788799 871625901 /nfs/dbraw/zinc/62/59/01/871625901.db2.gz HJHKCTBFCQNCSM-KYZUINATSA-N -1 3 358.395 0.260 10 0 FCAEHM CCc1cc(=O)[n-]c(CN2CCN([C@@]3(C(=O)OC)CCOC3)CC2)n1 ZINC001329276198 871925513 /nfs/dbraw/zinc/92/55/13/871925513.db2.gz JAFUDJAFXQCZQU-KRWDZBQOSA-N -1 3 350.419 0.194 10 0 FCAEHM CN1CCOC[C@H]1CNC(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001329734366 872216331 /nfs/dbraw/zinc/21/63/31/872216331.db2.gz DGGZGSUSHPVCST-LLVKDONJSA-N -1 3 374.438 0.327 10 0 FCAEHM O=C(c1cc([O-])cc(Br)c1)N1CC2(C1)C[C@@H](O)CNC2=O ZINC001347792976 872496824 /nfs/dbraw/zinc/49/68/24/872496824.db2.gz ISUIGEMOWAXBOO-LLVKDONJSA-N -1 3 355.188 0.478 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](OC)C[C@]2(C)CO)ccc1F ZINC001348765651 872788381 /nfs/dbraw/zinc/78/83/81/872788381.db2.gz JQQSUSYINNWCBO-XHDPSFHLSA-N -1 3 360.407 0.346 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](OC)C[C@@]2(C)CO)ccc1F ZINC001348765650 872789024 /nfs/dbraw/zinc/78/90/24/872789024.db2.gz JQQSUSYINNWCBO-NHYWBVRUSA-N -1 3 360.407 0.346 10 0 FCAEHM COC(=O)C1CC2(C1)CN([C@@H](C)C(=O)N1CCCCC1)C[C@@H]2C(=O)[O-] ZINC001333162688 873829135 /nfs/dbraw/zinc/82/91/35/873829135.db2.gz FTDZBWIQFQZHEA-DWBBHFSCSA-N -1 3 352.431 0.973 10 0 FCAEHM Cc1cc([N-]S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)cc(C)n1 ZINC001333247010 873872954 /nfs/dbraw/zinc/87/29/54/873872954.db2.gz WQQUFVGOTAAAEQ-UHFFFAOYSA-N -1 3 361.383 0.269 10 0 FCAEHM Cn1c(CCN2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)nc2ccccc21 ZINC000886071936 980211239 /nfs/dbraw/zinc/21/12/39/980211239.db2.gz QPEHLFFETOBQCH-IBGZPJMESA-N -1 3 358.442 0.977 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)[C@@H]3COCCN3CC(F)F)cc2n(C)c1=O ZINC000291631525 214046867 /nfs/dbraw/zinc/04/68/67/214046867.db2.gz UUPKPKBJYUGAAP-LBPRGKRZSA-N -1 3 370.356 0.487 10 0 FCAEHM Cc1nn(C)c(=O)c(C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)c1C ZINC000292006812 214071583 /nfs/dbraw/zinc/07/15/83/214071583.db2.gz MUEKBXWUTMXGCC-UHFFFAOYSA-N -1 3 357.370 0.545 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(-c2nc(C3(COC)CCOCC3)no2)cn1 ZINC000293132943 214148157 /nfs/dbraw/zinc/14/81/57/214148157.db2.gz JCAQNUXVOHVOEE-UHFFFAOYSA-N -1 3 368.415 0.734 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000265974271 210258303 /nfs/dbraw/zinc/25/83/03/210258303.db2.gz LVSWVUNVDPCRJT-LLVKDONJSA-N -1 3 364.789 0.503 10 0 FCAEHM CC[C@@H](NC(=O)C[N-]S(=O)(=O)c1c(C)noc1C)[C@@H](O)C(F)F ZINC000295426452 214296632 /nfs/dbraw/zinc/29/66/32/214296632.db2.gz JFBCJXJMJPNAFL-PSASIEDQSA-N -1 3 355.363 0.091 10 0 FCAEHM O=C([N-][C@@H]1CCN(c2ccccc2)C1=O)C(F)(F)C(=O)N1CCOCC1 ZINC000296420208 214348989 /nfs/dbraw/zinc/34/89/89/214348989.db2.gz VURFEZCZKLIIOS-CYBMUJFWSA-N -1 3 367.352 0.402 10 0 FCAEHM CCOc1ccncc1S(=O)(=O)[N-][C@H]1CCN(CC(F)(F)F)C1=O ZINC000296552207 214355069 /nfs/dbraw/zinc/35/50/69/214355069.db2.gz BZAULWMVJZOWKO-VIFPVBQESA-N -1 3 367.349 0.922 10 0 FCAEHM CCOc1ccncc1S(=O)(=O)[N-]CCCN(CC)S(C)(=O)=O ZINC000296805431 214364979 /nfs/dbraw/zinc/36/49/79/214364979.db2.gz UMKVMPJPUKVZKI-UHFFFAOYSA-N -1 3 365.477 0.430 10 0 FCAEHM CC[C@H](NC(=O)NCC[N-]S(=O)(=O)c1cccs1)[C@H](O)C(F)F ZINC000297160496 214382758 /nfs/dbraw/zinc/38/27/58/214382758.db2.gz DPQDJULALPYXBB-WPRPVWTQSA-N -1 3 371.431 0.730 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)CS(=O)(=O)C3CCCC3)cc2n(C)c1=O ZINC000291457905 214036020 /nfs/dbraw/zinc/03/60/20/214036020.db2.gz DAILBIKUCZKRKU-UHFFFAOYSA-N -1 3 367.427 0.879 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CCC(=O)N(C)C2)s1 ZINC000265840224 210233325 /nfs/dbraw/zinc/23/33/25/210233325.db2.gz XBGVKGDDXIACQO-SECBINFHSA-N -1 3 360.461 0.076 10 0 FCAEHM Cc1cc(CS(=O)(=O)[N-]C[C@@H](O)CN2CCc3ccccc3C2)no1 ZINC000265782815 210219524 /nfs/dbraw/zinc/21/95/24/210219524.db2.gz KTQVQAKZBJUEPH-QGZVFWFLSA-N -1 3 365.455 0.822 10 0 FCAEHM Cc1cc(CS(=O)(=O)[N-]C[C@@H](O)COc2ccc3c(c2)OCO3)no1 ZINC000265740632 210210961 /nfs/dbraw/zinc/21/09/61/210210961.db2.gz BYQZSJZMWXKDCO-GFCCVEGCSA-N -1 3 370.383 0.571 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N(C)[C@@H]1CCN(C)C1=O ZINC000265698443 210200072 /nfs/dbraw/zinc/20/00/72/210200072.db2.gz RYELPHBIOCMWEV-CMPLNLGQSA-N -1 3 357.407 0.182 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CSC[C@H]1C(=O)Nc1ccccc1F ZINC000265450536 210138670 /nfs/dbraw/zinc/13/86/70/210138670.db2.gz CUALQHCZVZVLKI-NSHDSACASA-N -1 3 366.374 0.218 10 0 FCAEHM CCOC(=O)CCS(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)N(C)C ZINC000265169261 210068176 /nfs/dbraw/zinc/06/81/76/210068176.db2.gz AKKCKERHVGFHAQ-CQSZACIVSA-N -1 3 356.444 0.559 10 0 FCAEHM CN(C[C@H]1CCN(C(=O)CN2CC(=O)[N-]C2=O)C1)C(=O)OC(C)(C)C ZINC000264942743 210021503 /nfs/dbraw/zinc/02/15/03/210021503.db2.gz RIQHAKNBCNLJQE-LLVKDONJSA-N -1 3 354.407 0.254 10 0 FCAEHM COc1ccc(Br)cc1CN(C)C(=O)CN1CC(=O)[N-]C1=O ZINC000264894409 210008700 /nfs/dbraw/zinc/00/87/00/210008700.db2.gz WBDYUWAYGSYIHS-UHFFFAOYSA-N -1 3 370.203 0.968 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NCCOc1ccc(Br)cc1 ZINC000264858522 210002617 /nfs/dbraw/zinc/00/26/17/210002617.db2.gz OSFWYODGIZQHBL-UHFFFAOYSA-N -1 3 356.176 0.496 10 0 FCAEHM Cc1ccc([C@@H](CNC(=O)CN2CC(=O)[N-]C2=O)N2CCOCC2)cc1 ZINC000264852322 210000573 /nfs/dbraw/zinc/00/05/73/210000573.db2.gz NILPZZGVHSUGIG-OAHLLOKOSA-N -1 3 360.414 0.036 10 0 FCAEHM CN1CCO[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])C[C@H]21 ZINC000333035362 215226725 /nfs/dbraw/zinc/22/67/25/215226725.db2.gz ILFYVVLLRRAOPH-LZLYRXPVSA-N -1 3 373.453 0.928 10 0 FCAEHM CCOC(=O)c1cn[n-]c1S(=O)(=O)N1CCO[C@@]2(CCCOC2)C1 ZINC000285697040 213378509 /nfs/dbraw/zinc/37/85/09/213378509.db2.gz RKFVEIQQUXOEBL-AWEZNQCLSA-N -1 3 359.404 0.157 10 0 FCAEHM CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CCO[C@@]2(CCCOC2)C1 ZINC000285697040 213378510 /nfs/dbraw/zinc/37/85/10/213378510.db2.gz RKFVEIQQUXOEBL-AWEZNQCLSA-N -1 3 359.404 0.157 10 0 FCAEHM C[C@]1(C[C@@H]2CCCN2S(=O)(=O)c2ccccc2N)NC(=O)[N-]C1=O ZINC000285697055 213379536 /nfs/dbraw/zinc/37/95/36/213379536.db2.gz SCWZZDOYTPIGRW-ZUZCIYMTSA-N -1 3 352.416 0.410 10 0 FCAEHM Cn1cc([C@@H](CO)NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cn1 ZINC000360438549 215360862 /nfs/dbraw/zinc/36/08/62/215360862.db2.gz YDNYWKPTYXWCQN-HUUCEWRRSA-N -1 3 358.398 0.580 10 0 FCAEHM Cn1nccc1[C@H]1[C@H]([N-]S(=O)(=O)Cc2ccon2)CC(=O)N1C1CC1 ZINC000284397233 213128048 /nfs/dbraw/zinc/12/80/48/213128048.db2.gz AXNJLRWUGXAKCQ-IUODEOHRSA-N -1 3 365.415 0.332 10 0 FCAEHM CC1=C(c2ccco2)CN(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)CC1 ZINC000367344407 216110221 /nfs/dbraw/zinc/11/02/21/216110221.db2.gz XUCGOAKXSKQSAB-UHFFFAOYSA-N -1 3 364.427 0.997 10 0 FCAEHM COC(=O)CCS(=O)(=O)[N-]c1cccc2c1CCN2S(C)(=O)=O ZINC000368162867 216209824 /nfs/dbraw/zinc/20/98/24/216209824.db2.gz KLIILJQTRZSHHP-UHFFFAOYSA-N -1 3 362.429 0.314 10 0 FCAEHM Cc1cc(N2CC[C@@H]([N-]S(=O)(=O)N3CCC[C@@H](C)C3)C2=O)n(C)n1 ZINC000246231823 209383292 /nfs/dbraw/zinc/38/32/92/209383292.db2.gz RAEWIXYOURHOJQ-DGCLKSJQSA-N -1 3 355.464 0.400 10 0 FCAEHM Cc1nc([C@@H]([N-]S(=O)(=O)[C@H](C)C(=O)N(C)C)c2ccccc2)n[nH]1 ZINC000193895457 209319892 /nfs/dbraw/zinc/31/98/92/209319892.db2.gz MXCOLNNSUQXKDL-MFKMUULPSA-N -1 3 351.432 0.599 10 0 FCAEHM C[C@@H](C(=O)N1CCc2ccccc2C1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000192653269 209303661 /nfs/dbraw/zinc/30/36/61/209303661.db2.gz SHPZJHOAWWNVDW-ORAYPTAESA-N -1 3 356.426 0.634 10 0 FCAEHM CCN(Cc1cccc(F)c1)C(=O)CN1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000192687450 209302613 /nfs/dbraw/zinc/30/26/13/209302613.db2.gz JBDAPVLPLNGPEZ-SFHVURJKSA-N -1 3 362.405 0.848 10 0 FCAEHM O=C(CN1CCC[C@]2(C1)NC(=O)[N-]C2=O)NCCc1ccc(Cl)cc1 ZINC000192675641 209302281 /nfs/dbraw/zinc/30/22/81/209302281.db2.gz WNQMZBYNZPRUNL-QGZVFWFLSA-N -1 3 364.833 0.673 10 0 FCAEHM O=C([C@@H]1C[C@]12CCOc1ccccc12)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279433905 212551236 /nfs/dbraw/zinc/55/12/36/212551236.db2.gz JHUVMFUZHKHJOT-AGRHKRQWSA-N -1 3 355.394 0.927 10 0 FCAEHM Cc1nn(C)c(C)c1CN1CCN(C(=O)C(=O)[N-]c2cnns2)CC1 ZINC000192043897 209294165 /nfs/dbraw/zinc/29/41/65/209294165.db2.gz IVNGIAZOHMVKKT-UHFFFAOYSA-N -1 3 363.447 0.171 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(S(=O)(=O)CCCCOC)CC2)n[n-]1 ZINC000368937441 216321877 /nfs/dbraw/zinc/32/18/77/216321877.db2.gz HBNMWHFWAILUPE-UHFFFAOYSA-N -1 3 374.463 0.917 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(S(=O)(=O)CCCCOC)CC2)[n-]1 ZINC000368937441 216321878 /nfs/dbraw/zinc/32/18/78/216321878.db2.gz HBNMWHFWAILUPE-UHFFFAOYSA-N -1 3 374.463 0.917 10 0 FCAEHM C[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000277670606 212386917 /nfs/dbraw/zinc/38/69/17/212386917.db2.gz GCZYYOBKUZKKAO-VXGBXAGGSA-N -1 3 362.473 0.640 10 0 FCAEHM Cc1nc([C@@H]2CCCN2C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)cs1 ZINC000188116616 209224754 /nfs/dbraw/zinc/22/47/54/209224754.db2.gz NTAMTNFKBAJFQQ-LBPRGKRZSA-N -1 3 369.472 0.827 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(C[C@@H](C)O)[C@@H](C)CO ZINC000276260303 212198532 /nfs/dbraw/zinc/19/85/32/212198532.db2.gz FPHIVENASYFUMR-WDEREUQCSA-N -1 3 372.443 0.762 10 0 FCAEHM COC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H](C)c2ncn(C)n2)s1 ZINC000276248251 212195296 /nfs/dbraw/zinc/19/52/96/212195296.db2.gz QGQXGOJZBPBFNZ-SECBINFHSA-N -1 3 373.460 0.815 10 0 FCAEHM COC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H](C)[C@@H](C)CO)s1 ZINC000276198149 212182836 /nfs/dbraw/zinc/18/28/36/212182836.db2.gz IHODITHZTKSMCH-VHSXEESVSA-N -1 3 350.462 0.942 10 0 FCAEHM COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000276140887 212171484 /nfs/dbraw/zinc/17/14/84/212171484.db2.gz DXLJPRBUHUBSRI-MJVIPROJSA-N -1 3 372.468 0.827 10 0 FCAEHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCN(C(C)=O)C[C@@H]1C ZINC000276087144 212156356 /nfs/dbraw/zinc/15/63/56/212156356.db2.gz FAAXRJQNNVIQDZ-JTQLQIEISA-N -1 3 367.427 0.943 10 0 FCAEHM COC[C@H]1CN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)C[C@H](C)O1 ZINC000276064455 212150192 /nfs/dbraw/zinc/15/01/92/212150192.db2.gz SRJBVIRVKVGLMJ-RWMBFGLXSA-N -1 3 374.434 0.755 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](O)C(F)(F)F)c(OC)c1 ZINC000275989201 212135653 /nfs/dbraw/zinc/13/56/53/212135653.db2.gz GBZRTMQRXOAYII-JTQLQIEISA-N -1 3 357.306 0.683 10 0 FCAEHM CC[C@@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)C(=O)OC ZINC000275683661 212073028 /nfs/dbraw/zinc/07/30/28/212073028.db2.gz CNUVCSXSNPPCKE-SNVBAGLBSA-N -1 3 364.445 0.167 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H](C)c1ncn(C)n1 ZINC000275558433 212051097 /nfs/dbraw/zinc/05/10/97/212051097.db2.gz MLBHZXXEIVRBEP-UWVGGRQHSA-N -1 3 355.395 0.498 10 0 FCAEHM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)C[N-]S(=O)(=O)c2cccs2)CC1=O ZINC000374139889 217099739 /nfs/dbraw/zinc/09/97/39/217099739.db2.gz GAGGRUAHSMICIJ-VWYCJHECSA-N -1 3 357.457 0.152 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)c2cn(C)c(=O)[n-]c2=O)CC(=O)N1Cc1ccccc1 ZINC000374263037 217114431 /nfs/dbraw/zinc/11/44/31/217114431.db2.gz NLRDVVUYDNTTAH-RISCZKNCSA-N -1 3 356.382 0.405 10 0 FCAEHM Cc1cc(CS(=O)(=O)[N-]C[C@@]2(N3CCOCC3)CCSC2)no1 ZINC000374244188 217112539 /nfs/dbraw/zinc/11/25/39/217112539.db2.gz WCURPRZEPLWAQO-AWEZNQCLSA-N -1 3 361.489 0.610 10 0 FCAEHM CN(C)c1ccncc1C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000184008405 209155236 /nfs/dbraw/zinc/15/52/36/209155236.db2.gz ZYPHVTBIXXBZFV-UHFFFAOYSA-N -1 3 354.457 0.917 10 0 FCAEHM COCCN1CN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC1=O ZINC000374618957 217148820 /nfs/dbraw/zinc/14/88/20/217148820.db2.gz IRRUMTVQXMDYLP-CQSZACIVSA-N -1 3 361.398 0.272 10 0 FCAEHM O=C(c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)N1CC(n2ccnn2)C1 ZINC000374833650 217179737 /nfs/dbraw/zinc/17/97/37/217179737.db2.gz FSIIJKGKPXKZNS-UHFFFAOYSA-N -1 3 365.390 0.555 10 0 FCAEHM O=C1[N-]C(=O)[C@@]2(CCCN(S(=O)(=O)c3cccc4ncccc43)C2)N1 ZINC000375871027 217329196 /nfs/dbraw/zinc/32/91/96/217329196.db2.gz BKDMVEZEUSFRFG-INIZCTEOSA-N -1 3 360.395 0.598 10 0 FCAEHM CC(C)C[C@H](CNC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1)C(=O)[O-] ZINC000424517048 247246449 /nfs/dbraw/zinc/24/64/49/247246449.db2.gz KNLPVQBGOCWXIM-WBMJQRKESA-N -1 3 359.492 0.403 10 0 FCAEHM COC(=O)c1cnc([C@H](C)[N-]S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)s1 ZINC000425191255 247302679 /nfs/dbraw/zinc/30/26/79/247302679.db2.gz VJIUTTPKWUZBQM-GUBZILKMSA-N -1 3 363.461 0.934 10 0 FCAEHM CCC(=O)N1CSC[C@H]1C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000436667744 248046660 /nfs/dbraw/zinc/04/66/60/248046660.db2.gz VEWOEWTVXQSYKF-ZDUSSCGKSA-N -1 3 351.428 0.550 10 0 FCAEHM Cn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436991281 248056250 /nfs/dbraw/zinc/05/62/50/248056250.db2.gz RDDBAJSUEZHZAR-HNNXBMFYSA-N -1 3 373.413 0.571 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)NC[C@@](C)(O)CCC(C)C)cn1C ZINC000440165806 248161063 /nfs/dbraw/zinc/16/10/63/248161063.db2.gz BMFPCRWSWVSGMY-INIZCTEOSA-N -1 3 374.507 0.700 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCN(C)C(=O)[C@H]1C ZINC000440286537 248169812 /nfs/dbraw/zinc/16/98/12/248169812.db2.gz RWUOTPGZRFGRCF-SNVBAGLBSA-N -1 3 367.427 0.861 10 0 FCAEHM Cn1ccc(CNC(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)n1 ZINC000441130144 248239803 /nfs/dbraw/zinc/23/98/03/248239803.db2.gz BRUQJYVLYJYSKU-UHFFFAOYSA-N -1 3 373.385 0.476 10 0 FCAEHM COC(=O)[C@H](C[N-]S(=O)(=O)[C@H]1CCO[C@@H]1C)Oc1ccc(F)cc1 ZINC000442754268 248295220 /nfs/dbraw/zinc/29/52/20/248295220.db2.gz HXNOUCZQVMSGHU-SWHYSGLUSA-N -1 3 361.391 0.843 10 0 FCAEHM COC(=O)c1nscc1S(=O)(=O)[N-]Cc1nnc2ccccn21 ZINC000443087450 248306570 /nfs/dbraw/zinc/30/65/70/248306570.db2.gz JVIWVOJTICGBSM-UHFFFAOYSA-N -1 3 353.385 0.451 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]C[C@H](O)COc2ccc3c(c2)OCO3)c1 ZINC000443164509 248309095 /nfs/dbraw/zinc/30/90/95/248309095.db2.gz BLGJRJAHEJZKGU-NSHDSACASA-N -1 3 369.399 0.350 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@H](O)COCC1CC1 ZINC000443212284 248311703 /nfs/dbraw/zinc/31/17/03/248311703.db2.gz MDETUZJBHOZLRB-LBPRGKRZSA-N -1 3 363.457 0.156 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@@H](O)COCC1CC1 ZINC000443212282 248312013 /nfs/dbraw/zinc/31/20/13/248312013.db2.gz MDETUZJBHOZLRB-GFCCVEGCSA-N -1 3 363.457 0.156 10 0 FCAEHM CSC[C@H](CCO)[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000443238582 248314640 /nfs/dbraw/zinc/31/46/40/248314640.db2.gz VYNIUXZAIWBBCF-JTQLQIEISA-N -1 3 353.487 0.482 10 0 FCAEHM O=C(Nc1csc2ccccc12)C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000442023195 248271439 /nfs/dbraw/zinc/27/14/39/248271439.db2.gz WXCIZRNFEGXQRI-NSHDSACASA-N -1 3 358.379 0.602 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]Cc2ccc(S(N)(=O)=O)cc2C)c1 ZINC000445083410 248373283 /nfs/dbraw/zinc/37/32/83/248373283.db2.gz RZCWOBGAKMUVOO-UHFFFAOYSA-N -1 3 358.445 0.337 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(C(=O)NCc3noc(C)n3)CC2)n[n-]1 ZINC000445145474 248374542 /nfs/dbraw/zinc/37/45/42/248374542.db2.gz YYVAAIXCSCMLQU-UHFFFAOYSA-N -1 3 363.378 0.762 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(C(=O)NCc3noc(C)n3)CC2)[n-]1 ZINC000445145474 248374545 /nfs/dbraw/zinc/37/45/45/248374545.db2.gz YYVAAIXCSCMLQU-UHFFFAOYSA-N -1 3 363.378 0.762 10 0 FCAEHM CNS(=O)(=O)c1cccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)c1 ZINC000445944023 248379931 /nfs/dbraw/zinc/37/99/31/248379931.db2.gz ZWWSLEYRAOVKFG-SECBINFHSA-N -1 3 351.306 0.972 10 0 FCAEHM CC[C@H]1[C@@H](CO)CCN1C(=O)NCc1ccc(S(=O)(=O)[N-]C)s1 ZINC000457563040 249590730 /nfs/dbraw/zinc/59/07/30/249590730.db2.gz BEEYFVAAGAXSEX-PWSUYJOCSA-N -1 3 361.489 0.959 10 0 FCAEHM C[C@H]1CN(Cc2ccccc2NC(=O)C[C@@H]2NC(=O)[N-]C2=O)C[C@H](C)O1 ZINC000271376448 211390565 /nfs/dbraw/zinc/39/05/65/211390565.db2.gz MPFZSFWTZJQSJX-HUBLWGQQSA-N -1 3 360.414 0.832 10 0 FCAEHM CN1CC[C@H](NC(=O)c2[nH]c(=O)[n-]c(=O)c2N)[C@@H]1c1ccc(F)c(F)c1 ZINC000271207010 211356531 /nfs/dbraw/zinc/35/65/31/211356531.db2.gz XWSWDMXYRVQKPU-GWCFXTLKSA-N -1 3 365.340 0.923 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@H]1CC(C)(C)OC1=O ZINC000270841326 211280106 /nfs/dbraw/zinc/28/01/06/211280106.db2.gz KQEMHEWPUJKWCH-ONGXEEELSA-N -1 3 358.391 0.703 10 0 FCAEHM CCOc1cc(CNC(=O)C[C@@H]2NC(=O)[N-]C2=O)ccc1OC(F)F ZINC000270749556 211260593 /nfs/dbraw/zinc/26/05/93/211260593.db2.gz UJOUFQCDBPHGJD-VIFPVBQESA-N -1 3 357.313 0.901 10 0 FCAEHM COc1ccc(CNC(=O)C[C@@H]2NC(=O)[N-]C2=O)cc1Br ZINC000270728674 211255282 /nfs/dbraw/zinc/25/52/82/211255282.db2.gz TUOPTFNXDGAHJX-VIFPVBQESA-N -1 3 356.176 0.672 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@]2(C(=O)OC)CCSC2)c(C)o1 ZINC000270647260 211241143 /nfs/dbraw/zinc/24/11/43/211241143.db2.gz LXTNNWZISPPZID-ZDUSSCGKSA-N -1 3 362.429 0.275 10 0 FCAEHM CC(C)C[C@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)C(=O)OCc1ccccc1 ZINC000270686296 211247465 /nfs/dbraw/zinc/24/74/65/211247465.db2.gz AUNDGEIVVMLXMU-KBPBESRZSA-N -1 3 361.398 0.859 10 0 FCAEHM CCOC(=O)CC[C@@H](C)NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000270621847 211234716 /nfs/dbraw/zinc/23/47/16/211234716.db2.gz OYRRLZFNRJTPLL-GFCCVEGCSA-N -1 3 361.398 0.928 10 0 FCAEHM COc1ccccc1CN(C[C@H]1CCCO1)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000270600283 211232690 /nfs/dbraw/zinc/23/26/90/211232690.db2.gz OEHXVWLLBUCHLH-KGLIPLIRSA-N -1 3 361.398 0.801 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000270581353 211227057 /nfs/dbraw/zinc/22/70/57/211227057.db2.gz JWAZIBJQBQWVJI-JTQLQIEISA-N -1 3 363.761 0.647 10 0 FCAEHM CN(C)C(=O)CCN1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000471563454 250107376 /nfs/dbraw/zinc/10/73/76/250107376.db2.gz ONEZSVNDGXJXRE-UHFFFAOYSA-N -1 3 357.414 0.159 10 0 FCAEHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CCCCO ZINC000472195599 250137463 /nfs/dbraw/zinc/13/74/63/250137463.db2.gz LJKXSGOMQCNVRQ-UHFFFAOYSA-N -1 3 350.462 0.378 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)NCCNC(=O)c2ccccc2)cn1 ZINC000472562134 250161047 /nfs/dbraw/zinc/16/10/47/250161047.db2.gz HANBLENVOMPUOR-UHFFFAOYSA-N -1 3 362.411 0.150 10 0 FCAEHM C[C@@H](NC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1)[C@H](C)CO ZINC000269878725 211107009 /nfs/dbraw/zinc/10/70/09/211107009.db2.gz JYLRZQBQJDXWSK-RKDXNWHRSA-N -1 3 369.896 0.996 10 0 FCAEHM COC(=O)c1ccc(NC(=O)C(=O)NCc2ncccc2[O-])c(OC)c1 ZINC000473051415 250197252 /nfs/dbraw/zinc/19/72/52/250197252.db2.gz QQASFMNBHZIZKH-UHFFFAOYSA-N -1 3 359.338 0.837 10 0 FCAEHM COC(=O)c1cc2c(cc1NC(=O)C(=O)NCc1ncccc1[O-])OCO2 ZINC000473059676 250197816 /nfs/dbraw/zinc/19/78/16/250197816.db2.gz TZHXCGLDHHOUEB-UHFFFAOYSA-N -1 3 373.321 0.557 10 0 FCAEHM O=C(NCc1ncccc1[O-])c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12 ZINC000473627833 250242497 /nfs/dbraw/zinc/24/24/97/250242497.db2.gz CADMNGWHSNTYBU-UHFFFAOYSA-N -1 3 372.366 0.128 10 0 FCAEHM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCc1ncccc1[O-] ZINC000473632373 250242829 /nfs/dbraw/zinc/24/28/29/250242829.db2.gz BBFBWWQFVWRCNL-JTQLQIEISA-N -1 3 367.431 0.121 10 0 FCAEHM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-]Cc2noc(C)n2)c1 ZINC000269781506 211077143 /nfs/dbraw/zinc/07/71/43/211077143.db2.gz OYTWYSSYQHMFGQ-UHFFFAOYSA-N -1 3 369.355 0.430 10 0 FCAEHM COC[C@](C)(CCO)NC(=O)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000480929681 250295873 /nfs/dbraw/zinc/29/58/73/250295873.db2.gz NTZZTKWWDFRGSK-GUYCJALGSA-N -1 3 364.402 0.346 10 0 FCAEHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@]1(C(=O)OC)CCOC1 ZINC000269769578 211071810 /nfs/dbraw/zinc/07/18/10/211071810.db2.gz FKMZECPJBJEVJV-CQSZACIVSA-N -1 3 361.347 0.223 10 0 FCAEHM O=C(NCC[C@@H](O)C(F)(F)F)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000481096687 250313203 /nfs/dbraw/zinc/31/32/03/250313203.db2.gz ZCTXAIDRQOQKEX-WDEREUQCSA-N -1 3 374.319 0.872 10 0 FCAEHM CCNC(=O)N1CC[C@H]([N-]S(=O)(=O)c2cc(F)ccc2C(=O)OC)C1 ZINC000269767771 211071541 /nfs/dbraw/zinc/07/15/41/211071541.db2.gz DXGNJQAANHQEOO-NSHDSACASA-N -1 3 373.406 0.694 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2[C@@H]3COC[C@@H]32)c(C(=O)OC)s1 ZINC000481237667 250324884 /nfs/dbraw/zinc/32/48/84/250324884.db2.gz YSLGYQUDVQAGMZ-MTBHXBHISA-N -1 3 361.397 0.244 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)NC[C@](C)(O)C2CCCCC2)cn1C ZINC000481333207 250331896 /nfs/dbraw/zinc/33/18/96/250331896.db2.gz ASNDLWLJLUALMM-INIZCTEOSA-N -1 3 372.491 0.454 10 0 FCAEHM CN1CCN(c2cc(C(=O)NCc3nnc(C(F)(F)F)[n-]3)ccn2)CC1 ZINC000481914515 250372146 /nfs/dbraw/zinc/37/21/46/250372146.db2.gz AAKBKZVUIGQZLR-UHFFFAOYSA-N -1 3 369.351 0.900 10 0 FCAEHM CN1CCN(c2cc(C(=O)NCc3n[n-]c(C(F)(F)F)n3)ccn2)CC1 ZINC000481914515 250372152 /nfs/dbraw/zinc/37/21/52/250372152.db2.gz AAKBKZVUIGQZLR-UHFFFAOYSA-N -1 3 369.351 0.900 10 0 FCAEHM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-]CC2(C)COC2)c1 ZINC000269642709 211030723 /nfs/dbraw/zinc/03/07/23/211030723.db2.gz FDEROJOWRJSKBQ-UHFFFAOYSA-N -1 3 357.384 0.575 10 0 FCAEHM CSc1ccc(N2C[C@@H](C(=O)Nc3[n-]nnc3C(N)=O)CC2=O)cc1 ZINC000410858113 532976811 /nfs/dbraw/zinc/97/68/11/532976811.db2.gz KCDVNKOSXRATKO-QMMMGPOBSA-N -1 3 360.399 0.617 10 0 FCAEHM CSc1ccc(N2C[C@@H](C(=O)Nc3nn[n-]c3C(N)=O)CC2=O)cc1 ZINC000410858113 532976815 /nfs/dbraw/zinc/97/68/15/532976815.db2.gz KCDVNKOSXRATKO-QMMMGPOBSA-N -1 3 360.399 0.617 10 0 FCAEHM CSc1ccc(N2C[C@@H](C(=O)Nc3n[n-]nc3C(N)=O)CC2=O)cc1 ZINC000410858113 532976817 /nfs/dbraw/zinc/97/68/17/532976817.db2.gz KCDVNKOSXRATKO-QMMMGPOBSA-N -1 3 360.399 0.617 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000267389598 210530740 /nfs/dbraw/zinc/53/07/40/210530740.db2.gz JWPRKKUWWRSHLX-NSHDSACASA-N -1 3 350.762 0.113 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@H]1CCCC[C@@H]1C(N)=O ZINC000267380103 210529287 /nfs/dbraw/zinc/52/92/87/210529287.db2.gz ZSJYDOGYLZQJEC-GVXVVHGQSA-N -1 3 371.434 0.653 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC000119438025 208362253 /nfs/dbraw/zinc/36/22/53/208362253.db2.gz LHBPWLWHLLJMBP-QMMMGPOBSA-N -1 3 359.308 0.733 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC(n2cncn2)CC1 ZINC000120391622 208382825 /nfs/dbraw/zinc/38/28/25/208382825.db2.gz JJZFSZALQBSVIP-LLVKDONJSA-N -1 3 369.472 0.870 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N[C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000128398187 208502614 /nfs/dbraw/zinc/50/26/14/208502614.db2.gz BMZDVWGBXCSVNH-LLVKDONJSA-N -1 3 350.806 0.977 10 0 FCAEHM COc1cccc(-c2noc([C@H](C)NC(=O)CN3CC(=O)[N-]C3=O)n2)c1 ZINC000266419248 210335051 /nfs/dbraw/zinc/33/50/51/210335051.db2.gz PLVFMMYXENOUON-VIFPVBQESA-N -1 3 359.342 0.474 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)NC2C3CC4CC(C3)CC2C4)c1 ZINC000176441940 209004913 /nfs/dbraw/zinc/00/49/13/209004913.db2.gz RFGSYGWNCNAOQC-UHFFFAOYSA-N -1 3 352.460 0.639 10 0 FCAEHM CN1CC[C@@H](NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)[C@@H]1c1ccccc1 ZINC000180163102 209090028 /nfs/dbraw/zinc/09/00/28/209090028.db2.gz ZOLLWRLKTFNHPA-CABCVRRESA-N -1 3 365.393 0.787 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)c(C)o1 ZINC000178676385 209058530 /nfs/dbraw/zinc/05/85/30/209058530.db2.gz HWZOFWZXTFYLEZ-HIFRSBDPSA-N -1 3 350.396 0.884 10 0 FCAEHM NC(=O)NC(=O)CN1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000053019205 221041986 /nfs/dbraw/zinc/04/19/86/221041986.db2.gz LDQIUKWELGIEEG-UHFFFAOYSA-N -1 3 354.794 0.891 10 0 FCAEHM O=C([O-])c1c2c(sc1S(=O)(=O)N1CCCC[C@@H]1CO)CNCC2 ZINC000067881772 221299774 /nfs/dbraw/zinc/29/97/74/221299774.db2.gz ODOGYSSHSIFVDM-SECBINFHSA-N -1 3 360.457 0.628 10 0 FCAEHM O=S(=O)([N-]C[C@H](O)CN1CCOCC1)c1ccccc1C(F)(F)F ZINC000097008276 222150481 /nfs/dbraw/zinc/15/04/81/222150481.db2.gz MRCXXRJZFDTXPO-NSHDSACASA-N -1 3 368.377 0.677 10 0 FCAEHM CCCCc1nnc(N2C(=O)C[C@H](SC[C@@H](N)C(=O)[O-])C2=O)s1 ZINC000102310023 222294236 /nfs/dbraw/zinc/29/42/36/222294236.db2.gz ATKLRUGUXDRWOS-SFYZADRCSA-N -1 3 358.445 0.658 10 0 FCAEHM C[C@H]1CCCN(c2cc(N3CCO[C@@H](CN(C)CC(=O)[O-])C3)ncn2)C1 ZINC000262087977 229297821 /nfs/dbraw/zinc/29/78/21/229297821.db2.gz GNUZOVAZPAWMED-GJZGRUSLSA-N -1 3 363.462 0.935 10 0 FCAEHM Cc1cc(N2CCC[C@H]([N-]S(=O)(=O)N3CC[C@@H](C)C3)C2=O)n(C)n1 ZINC000408133885 230011810 /nfs/dbraw/zinc/01/18/10/230011810.db2.gz RDQUDAANVLBZAE-YPMHNXCESA-N -1 3 355.464 0.400 10 0 FCAEHM Cc1cc(N2CCC[C@@H]([N-]S(=O)(=O)N3CC[C@@H](C)C3)C2=O)n(C)n1 ZINC000408133882 230011897 /nfs/dbraw/zinc/01/18/97/230011897.db2.gz RDQUDAANVLBZAE-DGCLKSJQSA-N -1 3 355.464 0.400 10 0 FCAEHM C[C@]1(c2ccc(CNC(=O)[C@]3(C)CCC(=O)NC3)cc2)NC(=O)[N-]C1=O ZINC000409633889 230035992 /nfs/dbraw/zinc/03/59/92/230035992.db2.gz ZOFMGFZWVVUEHP-QZTJIDSGSA-N -1 3 358.398 0.274 10 0 FCAEHM Cc1ncc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2CNS(C)(=O)=O)s1 ZINC000409801652 230046286 /nfs/dbraw/zinc/04/62/86/230046286.db2.gz PXXXMUQDNUOBDK-VHSXEESVSA-N -1 3 353.491 0.448 10 0 FCAEHM O=C([O-])c1cccc2cccc(C(=O)NCCCN(CCO)CCO)c21 ZINC000005583051 487489118 /nfs/dbraw/zinc/48/91/18/487489118.db2.gz AEZVQMCVPJBMCZ-UHFFFAOYSA-N -1 3 360.410 0.945 10 0 FCAEHM CC1(C)CC[C@@H](C(=O)NCC(=O)Nc2cccc3c(=O)[nH][n-]c(=O)c23)O1 ZINC000278773930 488895026 /nfs/dbraw/zinc/89/50/26/488895026.db2.gz VDELSSCHEBPGCE-NSHDSACASA-N -1 3 360.370 0.229 10 0 FCAEHM CC1(C)CC[C@@H](C(=O)NCC(=O)Nc2cccc3c(=O)[n-][nH]c(=O)c23)O1 ZINC000278773930 488895029 /nfs/dbraw/zinc/89/50/29/488895029.db2.gz VDELSSCHEBPGCE-NSHDSACASA-N -1 3 360.370 0.229 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1C(F)(F)F)N1CC(CO)C1 ZINC000290691956 489157854 /nfs/dbraw/zinc/15/78/54/489157854.db2.gz KXLDNKGKPJGIEN-UHFFFAOYSA-N -1 3 352.334 0.434 10 0 FCAEHM COc1ccccc1N1CC[C@H](N2CCC[C@]3(C2)NC(=O)[N-]C3=O)C1=O ZINC000279037163 488912694 /nfs/dbraw/zinc/91/26/94/488912694.db2.gz IYAXVFMKNTVWHQ-SCLBCKFNSA-N -1 3 358.398 0.475 10 0 FCAEHM CN(C(=O)CN1CCC[C@@]2(C1)NC(=O)[N-]C2=O)c1nc2ccccc2s1 ZINC000279045787 488912862 /nfs/dbraw/zinc/91/28/62/488912862.db2.gz JTJSMRYFSIMNHZ-KRWDZBQOSA-N -1 3 373.438 0.933 10 0 FCAEHM C[C@@H](C(=O)NC(=O)NCc1ccccc1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000279118179 488918215 /nfs/dbraw/zinc/91/82/15/488918215.db2.gz UIAQMXQEEVTPNW-SGTLLEGYSA-N -1 3 373.413 0.075 10 0 FCAEHM CCn1nccc1N1CCC[C@H]([N-]S(=O)(=O)CC[C@@H]2CCCO2)C1=O ZINC000328610183 488923447 /nfs/dbraw/zinc/92/34/47/488923447.db2.gz GVSROTWDRFEOPA-KBPBESRZSA-N -1 3 370.475 0.887 10 0 FCAEHM COc1cccc(CNC(=O)[C@H](C)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000279141248 488920076 /nfs/dbraw/zinc/92/00/76/488920076.db2.gz XLEWCALKHPXYST-KPZWWZAWSA-N -1 3 360.414 0.374 10 0 FCAEHM COc1ccccc1[C@@H](C)NC(=O)CN1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279152068 488920403 /nfs/dbraw/zinc/92/04/03/488920403.db2.gz YVCMBFWFYPJBPP-KZULUSFZSA-N -1 3 360.414 0.546 10 0 FCAEHM COC(=O)c1ccc(C)c(NC(=O)CN2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000279159049 488921602 /nfs/dbraw/zinc/92/16/02/488921602.db2.gz ZOJPNATUOVDTNJ-GOSISDBHSA-N -1 3 374.397 0.394 10 0 FCAEHM C[C@@H]1CC[C@H](C(=O)N2CC[C@H](N(C)Cc3cc(=O)[n-]c(N(C)C)n3)C2)O1 ZINC000328629292 488925236 /nfs/dbraw/zinc/92/52/36/488925236.db2.gz ICTXYKOMBIVAME-VHDGCEQUSA-N -1 3 363.462 0.848 10 0 FCAEHM COCCC1(C(=O)N2CC[C@@H](N(C)Cc3cc(=O)[n-]c(N)n3)C2)CCC1 ZINC000328654377 488926325 /nfs/dbraw/zinc/92/63/25/488926325.db2.gz XIJQFFLBVYGJHT-CQSZACIVSA-N -1 3 363.462 1.004 10 0 FCAEHM CN(Cc1cc(=O)[n-]c(N)n1)[C@H]1CCN(C(=O)[C@H]2COc3ccccc32)C1 ZINC000328648417 488926343 /nfs/dbraw/zinc/92/63/43/488926343.db2.gz UMQCNQGYTHNYHS-ZFWWWQNUSA-N -1 3 369.425 0.973 10 0 FCAEHM CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000279388883 488938012 /nfs/dbraw/zinc/93/80/12/488938012.db2.gz FYRWAENTTQQDRH-XMZIXOGTSA-N -1 3 368.459 0.135 10 0 FCAEHM CCOC(=O)CCCNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000029969900 487737442 /nfs/dbraw/zinc/73/74/42/487737442.db2.gz GNPWWQRDCXIQAQ-NSHDSACASA-N -1 3 360.407 0.952 10 0 FCAEHM Cn1ccnc1[C@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1ccc(Cl)cc1 ZINC000042853147 487879765 /nfs/dbraw/zinc/87/97/65/487879765.db2.gz ALYHTONOQYFERI-WCQYABFASA-N -1 3 361.789 0.877 10 0 FCAEHM O=C(N[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000044959327 487926920 /nfs/dbraw/zinc/92/69/20/487926920.db2.gz GCAOJDPNTFYACQ-AAEUAGOBSA-N -1 3 352.412 0.300 10 0 FCAEHM Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)C[C@@H]3NC(=O)[N-]C3=O)C2)n1 ZINC000056082428 488251824 /nfs/dbraw/zinc/25/18/24/488251824.db2.gz RGJCWEFLKNJYBY-RYUDHWBXSA-N -1 3 359.386 0.165 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCC(=O)NCc1ccco1 ZINC000056201866 488253872 /nfs/dbraw/zinc/25/38/72/488253872.db2.gz RUHHGYQTBZELLI-SNVBAGLBSA-N -1 3 371.440 0.441 10 0 FCAEHM CN(CC(=O)NC(C)(C)C)C(=O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000061058526 488293657 /nfs/dbraw/zinc/29/36/57/488293657.db2.gz IQCDVPQFBFFXGT-UHFFFAOYSA-N -1 3 373.450 0.867 10 0 FCAEHM Cc1noc(CCCNC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)n1 ZINC000066725442 488336413 /nfs/dbraw/zinc/33/64/13/488336413.db2.gz BOJLRWFTOIOHSH-JTQLQIEISA-N -1 3 370.406 0.933 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)C(=O)NC(C)(C)C ZINC000068345920 488364130 /nfs/dbraw/zinc/36/41/30/488364130.db2.gz GPQWHOHVIAOLHW-JTQLQIEISA-N -1 3 362.473 0.672 10 0 FCAEHM COCCN1CCC[C@H]1CNC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000069527134 488372952 /nfs/dbraw/zinc/37/29/52/488372952.db2.gz SLYAFPQGWWDRRP-ZDUSSCGKSA-N -1 3 368.503 0.960 10 0 FCAEHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]CCC1CS(=O)(=O)C1 ZINC000615747760 492100960 /nfs/dbraw/zinc/10/09/60/492100960.db2.gz YNEPQKLUOYQWCE-UHFFFAOYSA-N -1 3 365.429 0.342 10 0 FCAEHM CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)CN1CC(=O)[N-]C1=O ZINC000268214673 488397282 /nfs/dbraw/zinc/39/72/82/488397282.db2.gz LDJPOPNWFODZSG-NSHDSACASA-N -1 3 356.423 0.738 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@H](CC)[C@H](O)C(F)F)on1 ZINC000599319499 492159607 /nfs/dbraw/zinc/15/96/07/492159607.db2.gz FSUPITMPWDNKKY-SCZZXKLOSA-N -1 3 356.347 0.675 10 0 FCAEHM Cc1cc(N2CCC[C@@H](NC(=O)c3cccc4nn[n-]c43)C2=O)n(C)n1 ZINC000188223251 488411465 /nfs/dbraw/zinc/41/14/65/488411465.db2.gz GPYZOCOHDGZZKX-CYBMUJFWSA-N -1 3 353.386 0.925 10 0 FCAEHM Cc1cc(N2CCC[C@@H](NC(=O)c3cccc4[n-]nnc43)C2=O)n(C)n1 ZINC000188223251 488411466 /nfs/dbraw/zinc/41/14/66/488411466.db2.gz GPYZOCOHDGZZKX-CYBMUJFWSA-N -1 3 353.386 0.925 10 0 FCAEHM Cc1cc(N2CCC[C@@H](NC(=O)c3cccc4n[n-]nc43)C2=O)n(C)n1 ZINC000188223251 488411468 /nfs/dbraw/zinc/41/14/68/488411468.db2.gz GPYZOCOHDGZZKX-CYBMUJFWSA-N -1 3 353.386 0.925 10 0 FCAEHM CCNC(=O)N1CC[C@@H](NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C)c2)C1 ZINC000268445841 488419487 /nfs/dbraw/zinc/41/94/87/488419487.db2.gz HIBIACXLBDYUBB-LLVKDONJSA-N -1 3 372.422 0.267 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]CCC2CS(=O)(=O)C2)s1 ZINC000615747351 492100953 /nfs/dbraw/zinc/10/09/53/492100953.db2.gz MIFVQASRAYURFQ-UHFFFAOYSA-N -1 3 353.443 0.248 10 0 FCAEHM COCCCNC(=O)[C@@H](C)N1CCN(Cc2nc(C)ccc2[O-])CC1 ZINC000093057010 488477306 /nfs/dbraw/zinc/47/73/06/488477306.db2.gz CSVQFENNFDMNTB-OAHLLOKOSA-N -1 3 350.463 0.754 10 0 FCAEHM Cn1c2ccc(C(=O)NCc3cc(=O)[n-]cn3)cc2nc1N1CCOCC1 ZINC000095352128 488480637 /nfs/dbraw/zinc/48/06/37/488480637.db2.gz GBBVAZXPAAUWJV-UHFFFAOYSA-N -1 3 368.397 0.423 10 0 FCAEHM CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2cnc(C)[n-]c2=O)CN1Cc1ccoc1 ZINC000095529479 488486954 /nfs/dbraw/zinc/48/69/54/488486954.db2.gz FXDVWNLYWQYILW-HIFRSBDPSA-N -1 3 373.413 0.180 10 0 FCAEHM Cc1nc2[nH]cc(C(=O)N3CCC[C@@H](c4cc(=O)[n-]c(C)n4)C3)c(=O)n2n1 ZINC000102255800 488497475 /nfs/dbraw/zinc/49/74/75/488497475.db2.gz RBTHUYKMWZOJPG-LLVKDONJSA-N -1 3 369.385 0.550 10 0 FCAEHM CC[C@@](C)(COc1ncccc1Cl)NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000271590547 488529012 /nfs/dbraw/zinc/52/90/12/488529012.db2.gz RJVIDTGWJOEAPC-BONVTDFDSA-N -1 3 354.794 0.997 10 0 FCAEHM COC[C@](C)(CCO)NC(=O)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000272149480 488564714 /nfs/dbraw/zinc/56/47/14/488564714.db2.gz AGEOQAQVEXPGTR-SFHVURJKSA-N -1 3 361.398 0.574 10 0 FCAEHM C[C@@H](CN(C)C(=O)CN1CCN(Cc2ccccc2)CC1)c1nn[n-]n1 ZINC000124298618 488591150 /nfs/dbraw/zinc/59/11/50/488591150.db2.gz NQGCIMXIOKCXGA-HNNXBMFYSA-N -1 3 357.462 0.579 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-][C@H]1CCCN(c2cccnc2)C1=O)C1CC1 ZINC000563061349 491211444 /nfs/dbraw/zinc/21/14/44/491211444.db2.gz GIVIFLZFWDNELG-GJZGRUSLSA-N -1 3 353.444 0.921 10 0 FCAEHM Cc1noc(CCNC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)n1 ZINC000263657925 488616505 /nfs/dbraw/zinc/61/65/05/488616505.db2.gz FRUDFNADQJYDQI-UHFFFAOYSA-N -1 3 359.386 0.794 10 0 FCAEHM COCc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000129495981 488631464 /nfs/dbraw/zinc/63/14/64/488631464.db2.gz UIZUGFPNQHJFCM-SECBINFHSA-N -1 3 374.854 0.933 10 0 FCAEHM Cc1ccc(CN(C)S(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)o1 ZINC000263929952 488636794 /nfs/dbraw/zinc/63/67/94/488636794.db2.gz XKQWJHCTEZPFTL-UHFFFAOYSA-N -1 3 364.383 0.756 10 0 FCAEHM COC(=O)[C@]1(NC(=O)CCNC(=O)c2ccc(C)cc2[O-])CCSC1 ZINC000273339455 488644613 /nfs/dbraw/zinc/64/46/13/488644613.db2.gz QDJBUFQUIQLASJ-KRWDZBQOSA-N -1 3 366.439 0.985 10 0 FCAEHM O=C(Cn1cc(NC(=O)c2ccc3c(c2[O-])CCCC3)cn1)NCCO ZINC000273509303 488655408 /nfs/dbraw/zinc/65/54/08/488655408.db2.gz SPVXFHNMDZILTO-UHFFFAOYSA-N -1 3 358.398 0.828 10 0 FCAEHM CCCn1c(=O)[n-]c(=O)c2c(C(=O)NCC[C@@H](C)O)cc(C3CC3)nc21 ZINC000136095645 488676281 /nfs/dbraw/zinc/67/62/81/488676281.db2.gz MAJUYXLWSFAGSJ-SNVBAGLBSA-N -1 3 360.414 0.873 10 0 FCAEHM COc1ccccc1[C@@H](CNC(=O)CN1CC(=O)[N-]C1=O)N1CCCC1 ZINC000264641373 488693494 /nfs/dbraw/zinc/69/34/94/488693494.db2.gz FEXCZRWRHREOFL-CQSZACIVSA-N -1 3 360.414 0.500 10 0 FCAEHM Cn1cc(N2CCC[C@H](NC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)C2)cn1 ZINC000151496479 488705996 /nfs/dbraw/zinc/70/59/96/488705996.db2.gz WSTMHJHDRKSKGF-LBPRGKRZSA-N -1 3 353.382 0.703 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)NC2CCN(C(=O)C(C)C)CC2)cn1 ZINC000274413612 488706227 /nfs/dbraw/zinc/70/62/27/488706227.db2.gz ARFURQQNOGALEC-UHFFFAOYSA-N -1 3 368.459 0.367 10 0 FCAEHM CCOC(=O)[C@H](NC(=O)CN1CC(=O)[N-]C1=O)c1ccc(OC)c(F)c1 ZINC000274761585 488732536 /nfs/dbraw/zinc/73/25/36/488732536.db2.gz QXJAYAYHRBXZJJ-CQSZACIVSA-N -1 3 367.333 0.107 10 0 FCAEHM COc1cc(OC)c(S(=O)(=O)[N-]C[C@H](O)C(F)(F)F)c(OC)c1 ZINC000275118702 488763274 /nfs/dbraw/zinc/76/32/74/488763274.db2.gz XUWDPAOFCGQXKZ-JTQLQIEISA-N -1 3 359.322 0.914 10 0 FCAEHM C[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000278034544 488797148 /nfs/dbraw/zinc/79/71/48/488797148.db2.gz XCVPGBFJZOLUDC-KOLCDFICSA-N -1 3 362.835 0.907 10 0 FCAEHM CN1CCN(Cc2ccc(CNC(=O)c3cnc([O-])n(C)c3=O)cc2)CC1 ZINC000267592647 488801817 /nfs/dbraw/zinc/80/18/17/488801817.db2.gz NMXYZJMCLWJRDA-UHFFFAOYSA-N -1 3 371.441 0.163 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCCCN2CCCC2=O)ccc1F ZINC000267762244 488818327 /nfs/dbraw/zinc/81/83/27/488818327.db2.gz RFNXPSUJXKXXMU-UHFFFAOYSA-N -1 3 357.407 0.476 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)N1CCNC[C@H]1C(F)F ZINC000563162405 491224246 /nfs/dbraw/zinc/22/42/46/491224246.db2.gz DPPQOTXGDNRUSY-ZDUSSCGKSA-N -1 3 364.352 0.323 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)N[C@H]1CCCn2ncnc21 ZINC000175716190 488855150 /nfs/dbraw/zinc/85/51/50/488855150.db2.gz MLCALKGLNBZNCT-JTQLQIEISA-N -1 3 355.445 0.659 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC(C)(CCOC)C1 ZINC000288390633 488976460 /nfs/dbraw/zinc/97/64/60/488976460.db2.gz LPRGLUVIHSQNCY-UHFFFAOYSA-N -1 3 362.473 0.642 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC(F)(F)C[C@@H]1CO ZINC000364604751 488977250 /nfs/dbraw/zinc/97/72/50/488977250.db2.gz VKDDFQHJEOHTJV-DTWKUNHWSA-N -1 3 354.400 0.643 10 0 FCAEHM Cc1cc(C)c(N2CC[C@H](NC(=O)C[C@@H]3NC(=O)[N-]C3=O)C2=O)c(C)c1 ZINC000364929896 489019371 /nfs/dbraw/zinc/01/93/71/489019371.db2.gz KUCDYCLBWZSZQD-STQMWFEESA-N -1 3 358.398 0.431 10 0 FCAEHM COCCN1CCCN(C(=O)c2c[n-]c3cc(OC)ccc3c2=O)CC1=O ZINC000364969941 489024452 /nfs/dbraw/zinc/02/44/52/489024452.db2.gz HEAZMXSYGAKFFD-UHFFFAOYSA-N -1 3 373.409 0.858 10 0 FCAEHM C[C@]1(c2cccc(-c3noc([C@@]4(C)CCC(=O)NC4)n3)c2)NC(=O)[N-]C1=O ZINC000288942549 489031063 /nfs/dbraw/zinc/03/10/63/489031063.db2.gz OEECOYJERWXUGA-ZWKOTPCHSA-N -1 3 369.381 0.959 10 0 FCAEHM C[C@@]1(c2cccc(-c3noc([C@]4(C)CCC(=O)NC4)n3)c2)NC(=O)[N-]C1=O ZINC000288942537 489031156 /nfs/dbraw/zinc/03/11/56/489031156.db2.gz OEECOYJERWXUGA-MSOLQXFVSA-N -1 3 369.381 0.959 10 0 FCAEHM C[C@]1(c2cccc(-c3noc(CN4CCOCC4=O)n3)c2)NC(=O)[N-]C1=O ZINC000288952202 489031623 /nfs/dbraw/zinc/03/16/23/489031623.db2.gz PFSPTKAGDPRUCM-QGZVFWFLSA-N -1 3 371.353 0.150 10 0 FCAEHM COCCN(C)S(=O)(=O)[C@@H]1CCCN(Cc2nc(C)ccc2[O-])C1 ZINC000365173942 489045444 /nfs/dbraw/zinc/04/54/44/489045444.db2.gz APSUZADMTAOITC-CQSZACIVSA-N -1 3 357.476 0.968 10 0 FCAEHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CCO[C@]2(CCOC2)C1 ZINC000289282355 489055785 /nfs/dbraw/zinc/05/57/85/489055785.db2.gz STJIUTXMOZXQNZ-MRXNPFEDSA-N -1 3 368.411 0.800 10 0 FCAEHM O=C(CN1CCC[C@@H](c2nc(=O)[n-][nH]2)C1)NCCN1CCc2ccccc21 ZINC000289455885 489068347 /nfs/dbraw/zinc/06/83/47/489068347.db2.gz POSPWQKXYPPRKL-OAHLLOKOSA-N -1 3 370.457 0.456 10 0 FCAEHM CCOCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(C(N)=O)cc2)no1 ZINC000289627144 489082304 /nfs/dbraw/zinc/08/23/04/489082304.db2.gz RSOOPXJVUJZBQR-SECBINFHSA-N -1 3 354.388 0.745 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]CCC1(O)CCOCC1 ZINC000289677441 489085399 /nfs/dbraw/zinc/08/53/99/489085399.db2.gz CLBYTXGPYLOHED-UHFFFAOYSA-N -1 3 361.416 0.893 10 0 FCAEHM CO[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000289737982 489089727 /nfs/dbraw/zinc/08/97/27/489089727.db2.gz XZJAAODHLDYSPD-BDAKNGLRSA-N -1 3 350.824 0.906 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)[C@@H]2CSCN2C(C)=O)s1 ZINC000330424689 489100709 /nfs/dbraw/zinc/10/07/09/489100709.db2.gz IRHSSAMVGXGSLK-JTQLQIEISA-N -1 3 363.486 0.194 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000290089914 489113745 /nfs/dbraw/zinc/11/37/45/489113745.db2.gz PLSFPFSVYRSQRQ-NSHDSACASA-N -1 3 371.337 0.095 10 0 FCAEHM C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-][C@@H]1CCCN(c2ccccc2)C1=O ZINC000365795914 489114684 /nfs/dbraw/zinc/11/46/84/489114684.db2.gz OLWWERKYRCGRGS-GXTWGEPZSA-N -1 3 353.444 0.578 10 0 FCAEHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@@H]2CCN(C3CCOCC3)C2=O)c1 ZINC000365881390 489122253 /nfs/dbraw/zinc/12/22/53/489122253.db2.gz LTZKQYMLHYVUDT-CQSZACIVSA-N -1 3 370.475 0.597 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NC[C@@H](O)Cc1ccccc1 ZINC000290241840 489124107 /nfs/dbraw/zinc/12/41/07/489124107.db2.gz MDTZRYADPIIXIN-AWEZNQCLSA-N -1 3 367.427 0.290 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)Oc1c(C)nn(C)c1C ZINC000282027851 489125879 /nfs/dbraw/zinc/12/58/79/489125879.db2.gz VABQZTPZILDOTH-UHFFFAOYSA-N -1 3 359.429 0.713 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)N[C@H](C)[C@@H](C)OC)ccc1F ZINC000290291304 489128730 /nfs/dbraw/zinc/12/87/30/489128730.db2.gz HLQRJGWSESLIIG-RKDXNWHRSA-N -1 3 361.395 0.212 10 0 FCAEHM C[C@@H](CC(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O)NC(=O)C1CCCCC1 ZINC000366134973 489149729 /nfs/dbraw/zinc/14/97/29/489149729.db2.gz GJEQUUILNOMKFQ-KPZWWZAWSA-N -1 3 364.446 0.662 10 0 FCAEHM Cc1cnc(C(=O)N(CCCN(C)C)[C@@H]2CCS(=O)(=O)C2)c([O-])c1 ZINC000330893988 489154838 /nfs/dbraw/zinc/15/48/38/489154838.db2.gz ZCVGJBIJJOAFSV-CYBMUJFWSA-N -1 3 355.460 0.677 10 0 FCAEHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000282332069 489155332 /nfs/dbraw/zinc/15/53/32/489155332.db2.gz KNKBDZZNLLPFAY-VIFPVBQESA-N -1 3 353.400 0.552 10 0 FCAEHM Cn1cc(CCNC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])cn1 ZINC000366183491 489156048 /nfs/dbraw/zinc/15/60/48/489156048.db2.gz IEAQMYRKALHPGW-UHFFFAOYSA-N -1 3 357.345 0.580 10 0 FCAEHM Cn1cc(CCNC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)cn1 ZINC000366183491 489156049 /nfs/dbraw/zinc/15/60/49/489156049.db2.gz IEAQMYRKALHPGW-UHFFFAOYSA-N -1 3 357.345 0.580 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@H]1CC(=O)N(C(C)C)C1=O ZINC000290660950 489156245 /nfs/dbraw/zinc/15/62/45/489156245.db2.gz FSJLBCSQNQRIDW-JTQLQIEISA-N -1 3 372.399 0.497 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@@]1(C(=O)OC)CCOC1 ZINC000290714079 489160048 /nfs/dbraw/zinc/16/00/48/489160048.db2.gz JQGJXRAUSYSNKJ-AWEZNQCLSA-N -1 3 361.372 0.293 10 0 FCAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]CCCN1CCOC1=O ZINC000290767089 489164191 /nfs/dbraw/zinc/16/41/91/489164191.db2.gz OBWBOMPHKQKZMI-UHFFFAOYSA-N -1 3 360.388 0.804 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)N(C)CCCO)cc1OC ZINC000282599168 489177909 /nfs/dbraw/zinc/17/79/09/489177909.db2.gz QFKZBIYEVJDVNG-UHFFFAOYSA-N -1 3 373.431 0.236 10 0 FCAEHM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1CCOC1(C)C ZINC000295312427 489192244 /nfs/dbraw/zinc/19/22/44/489192244.db2.gz OYEMVHWJQSKPRI-CYBMUJFWSA-N -1 3 362.473 0.783 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-][C@@H]2CCCN(CC(F)(F)F)C2=O)c1 ZINC000331333833 489199091 /nfs/dbraw/zinc/19/90/91/489199091.db2.gz TUCUVFWIHJSLLO-SECBINFHSA-N -1 3 354.354 0.735 10 0 FCAEHM O=C(CCCNC(=O)c1ccsc1)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000297610175 489213753 /nfs/dbraw/zinc/21/37/53/489213753.db2.gz AAZLCQMYLPFTMC-UHFFFAOYSA-N -1 3 362.415 0.907 10 0 FCAEHM O=C(CCCNC(=O)c1ccsc1)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000297610175 489213757 /nfs/dbraw/zinc/21/37/57/489213757.db2.gz AAZLCQMYLPFTMC-UHFFFAOYSA-N -1 3 362.415 0.907 10 0 FCAEHM O=C(CCCNC(=O)c1ccsc1)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000297610175 489213762 /nfs/dbraw/zinc/21/37/62/489213762.db2.gz AAZLCQMYLPFTMC-UHFFFAOYSA-N -1 3 362.415 0.907 10 0 FCAEHM O=C(CCN1C(=O)COc2ccccc21)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000297665866 489220875 /nfs/dbraw/zinc/22/08/75/489220875.db2.gz GOJKAJUHCUFJCV-UHFFFAOYSA-N -1 3 370.369 0.451 10 0 FCAEHM O=C(CCN1C(=O)COc2ccccc21)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000297665866 489220878 /nfs/dbraw/zinc/22/08/78/489220878.db2.gz GOJKAJUHCUFJCV-UHFFFAOYSA-N -1 3 370.369 0.451 10 0 FCAEHM O=C(CCN1C(=O)COc2ccccc21)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000297665866 489220881 /nfs/dbraw/zinc/22/08/81/489220881.db2.gz GOJKAJUHCUFJCV-UHFFFAOYSA-N -1 3 370.369 0.451 10 0 FCAEHM O=C(NC1CC1)c1nn[n-]c1NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000297720881 489229810 /nfs/dbraw/zinc/22/98/10/489229810.db2.gz LMABNJFHATZVJM-SECBINFHSA-N -1 3 372.360 0.828 10 0 FCAEHM O=C(NC1CC1)c1[n-]nnc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000297720881 489229813 /nfs/dbraw/zinc/22/98/13/489229813.db2.gz LMABNJFHATZVJM-SECBINFHSA-N -1 3 372.360 0.828 10 0 FCAEHM O=C(NC1CC1)c1n[n-]nc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000297720881 489229817 /nfs/dbraw/zinc/22/98/17/489229817.db2.gz LMABNJFHATZVJM-SECBINFHSA-N -1 3 372.360 0.828 10 0 FCAEHM O=S(=O)([N-]C[C@@]1(OCCO)CCOC1)c1cccc(Cl)c1F ZINC000657086300 492713176 /nfs/dbraw/zinc/71/31/76/492713176.db2.gz KOIUMWJXDBPXIL-ZDUSSCGKSA-N -1 3 353.799 0.925 10 0 FCAEHM Cc1ccc(-n2cc(C(=O)Nc3[n-]nnc3C(=O)NC3CC3)nn2)cc1 ZINC000297858491 489253197 /nfs/dbraw/zinc/25/31/97/489253197.db2.gz YHLMVPQYEUUZFB-UHFFFAOYSA-N -1 3 352.358 0.838 10 0 FCAEHM Cc1ccc(-n2cc(C(=O)Nc3nn[n-]c3C(=O)NC3CC3)nn2)cc1 ZINC000297858491 489253199 /nfs/dbraw/zinc/25/31/99/489253199.db2.gz YHLMVPQYEUUZFB-UHFFFAOYSA-N -1 3 352.358 0.838 10 0 FCAEHM Cc1ccc(-n2cc(C(=O)Nc3n[n-]nc3C(=O)NC3CC3)nn2)cc1 ZINC000297858491 489253203 /nfs/dbraw/zinc/25/32/03/489253203.db2.gz YHLMVPQYEUUZFB-UHFFFAOYSA-N -1 3 352.358 0.838 10 0 FCAEHM CO[C@H]1CS(=O)(=O)C[C@@H]1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000657099484 492718519 /nfs/dbraw/zinc/71/85/19/492718519.db2.gz FLHYVRPMGHMQSH-YUMQZZPRSA-N -1 3 374.362 0.191 10 0 FCAEHM COC[C@@H]1CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1cccnc1 ZINC000349453822 489289781 /nfs/dbraw/zinc/28/97/81/489289781.db2.gz ASIQKFUPDAZKTE-ZDUSSCGKSA-N -1 3 363.461 0.264 10 0 FCAEHM CC(C)(C)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC(CO)C1 ZINC000349481450 489296696 /nfs/dbraw/zinc/29/66/96/489296696.db2.gz MVNUFACJEKFBLG-UHFFFAOYSA-N -1 3 362.473 0.376 10 0 FCAEHM O=S(=O)(CCCS(=O)(=O)N[C@H]1CCCOC1)[N-]c1cccnc1 ZINC000349591154 489322806 /nfs/dbraw/zinc/32/28/06/489322806.db2.gz LAMWWGPFVMBUIO-ZDUSSCGKSA-N -1 3 363.461 0.312 10 0 FCAEHM O=C(CC[C@H]1NC(=O)[N-]C1=O)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000370189697 489325971 /nfs/dbraw/zinc/32/59/71/489325971.db2.gz AWTIGKHQXRKTLU-UONOGXRCSA-N -1 3 353.419 0.551 10 0 FCAEHM O=S(=O)(CCCCS(=O)(=O)N1CC[C@@H]1C1CC1)[N-]c1cn[nH]c1 ZINC000349605843 489326225 /nfs/dbraw/zinc/32/62/25/489326225.db2.gz HXIBJRKTWFCULL-CYBMUJFWSA-N -1 3 362.477 0.746 10 0 FCAEHM Cc1n[nH]cc1[N-]S(=O)(=O)CCCCS(=O)(=O)N1C[C@@H](C)[C@@H]1C ZINC000349607214 489326765 /nfs/dbraw/zinc/32/67/65/489326765.db2.gz LQGHVQOIAIHSPB-PWSUYJOCSA-N -1 3 364.493 0.910 10 0 FCAEHM CCOc1ccc(NC(=O)Cc2noc(CN3CC(=O)[N-]C3=O)n2)cc1 ZINC000350714894 489346193 /nfs/dbraw/zinc/34/61/93/489346193.db2.gz XRRLZXZVRPPOIZ-UHFFFAOYSA-N -1 3 359.342 0.701 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(-c2nc(-c3ccc(=O)n(C)c3)no2)c(C)o1 ZINC000350920436 489351926 /nfs/dbraw/zinc/35/19/26/489351926.db2.gz DLUUHRYIAHFZJP-UHFFFAOYSA-N -1 3 350.356 0.912 10 0 FCAEHM Cn1cc(C(C)(C)[N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)nn1 ZINC000570570644 491250416 /nfs/dbraw/zinc/25/04/16/491250416.db2.gz ZRTCJKSTEFMXMQ-UHFFFAOYSA-N -1 3 352.342 0.781 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]C[C@@H]2CCCN2C)c(Br)n1C ZINC000286589890 489407635 /nfs/dbraw/zinc/40/76/35/489407635.db2.gz KJRFFIPHSZZHPX-VIFPVBQESA-N -1 3 351.270 0.864 10 0 FCAEHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NC1(CCO)CCCC1 ZINC000286238661 489371975 /nfs/dbraw/zinc/37/19/75/489371975.db2.gz YGNBIMQJBIWJAV-UHFFFAOYSA-N -1 3 360.208 0.523 10 0 FCAEHM C[C@@]1(c2cccc(C(=O)N3CCO[C@]4(CCCOC4)C3)c2)NC(=O)[N-]C1=O ZINC000286268518 489374893 /nfs/dbraw/zinc/37/48/93/489374893.db2.gz HZCXVFDTAKBDHE-RBUKOAKNSA-N -1 3 373.409 0.763 10 0 FCAEHM O=C(CCNC(=O)c1ccc(F)cc1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000298968947 489389192 /nfs/dbraw/zinc/38/91/92/489389192.db2.gz OQBAFDGTQZNZIW-GFCCVEGCSA-N -1 3 361.377 0.763 10 0 FCAEHM O=C(CN1CCN(C(=O)c2ccc([O-])cc2)CC1)N1CCOC[C@H]1C1CC1 ZINC000362669138 489391198 /nfs/dbraw/zinc/39/11/98/489391198.db2.gz DWHRKTCYNKIQCS-SFHVURJKSA-N -1 3 373.453 0.787 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCCS(C)(=O)=O ZINC000299012558 489394870 /nfs/dbraw/zinc/39/48/70/489394870.db2.gz QIGDBDGURNQRTP-JTQLQIEISA-N -1 3 366.436 0.043 10 0 FCAEHM COC(=O)c1ccc(N2CCC[C@H]2C[C@@]2(C)NC(=O)[N-]C2=O)nc1OC ZINC000286534365 489401616 /nfs/dbraw/zinc/40/16/16/489401616.db2.gz YTPVTLMFIADAFN-DYZYQPBXSA-N -1 3 362.386 0.834 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)O3)cc1F ZINC000370804265 489405179 /nfs/dbraw/zinc/40/51/79/489405179.db2.gz XRXPUTTTXLSUGT-AOOOYVTPSA-N -1 3 364.420 0.749 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)N[C@H]1CCC[C@@H](CO)C1 ZINC000299149891 489411121 /nfs/dbraw/zinc/41/11/21/489411121.db2.gz YTZJLDGJTHSPAE-NEPJUHHUSA-N -1 3 361.489 0.877 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1cc(F)c(F)cc1N1CCOCC1 ZINC000286746191 489423963 /nfs/dbraw/zinc/42/39/63/489423963.db2.gz NZIBOAORRRKMGZ-NSHDSACASA-N -1 3 354.313 0.338 10 0 FCAEHM O=C(NC1CC1)C(=O)N1CCN(C(=O)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000299273880 489426960 /nfs/dbraw/zinc/42/69/60/489426960.db2.gz ZTXLWUXTWYVHPH-UHFFFAOYSA-N -1 3 371.437 0.834 10 0 FCAEHM O=S(=O)([N-]C[C@@H]1CN2CCN1CC2)c1cccnc1C(F)(F)F ZINC000286816668 489432616 /nfs/dbraw/zinc/43/26/16/489432616.db2.gz AHEHOCYYROTBTC-SNVBAGLBSA-N -1 3 350.366 0.379 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000363185719 489435669 /nfs/dbraw/zinc/43/56/69/489435669.db2.gz DXNZXNYTERREDN-LLVKDONJSA-N -1 3 350.806 0.834 10 0 FCAEHM Cn1cc([C@@H](O)CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cn1 ZINC000363281706 489447831 /nfs/dbraw/zinc/44/78/31/489447831.db2.gz CEHKBBKUGSYRMI-HOCLYGCPSA-N -1 3 358.398 0.580 10 0 FCAEHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000363532769 489476559 /nfs/dbraw/zinc/47/65/59/489476559.db2.gz LDTOETQSQJMXMF-AEJSXWLSSA-N -1 3 358.441 0.822 10 0 FCAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c(C)o1 ZINC000371363738 489481033 /nfs/dbraw/zinc/48/10/33/489481033.db2.gz HMBVSGBKPNWMAG-IEBDPFPHSA-N -1 3 356.400 0.662 10 0 FCAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H](NC(=O)C3CC3)[C@@H](C)O)cc2)n1 ZINC000371562763 489488336 /nfs/dbraw/zinc/48/83/36/489488336.db2.gz WKMYEJUWGYLRBB-BDJLRTHQSA-N -1 3 370.409 0.959 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)Nc1ccc(-c2nnc3n2CCCC3)cc1 ZINC000371600343 489489845 /nfs/dbraw/zinc/48/98/45/489489845.db2.gz YNKLQEIWCFNBOV-UHFFFAOYSA-N -1 3 354.370 0.772 10 0 FCAEHM COC(=O)c1ncccc1S(=O)(=O)[N-]C[C@H](CO)c1ccccc1 ZINC000451283988 489497371 /nfs/dbraw/zinc/49/73/71/489497371.db2.gz HNAOQJUGBZKSLI-CYBMUJFWSA-N -1 3 350.396 0.923 10 0 FCAEHM COC(C)(C)CS(=O)(=O)[N-]c1ccc(CNS(C)(=O)=O)cc1 ZINC000414375781 489497758 /nfs/dbraw/zinc/49/77/58/489497758.db2.gz SHMBBJFNLNUJAR-UHFFFAOYSA-N -1 3 350.462 0.903 10 0 FCAEHM CC(=O)N1CCN(C(=O)[C@@H](C)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)CC1 ZINC000563622807 491259184 /nfs/dbraw/zinc/25/91/84/491259184.db2.gz GNOLDRZJJPGTEN-OLMNPRSZSA-N -1 3 373.453 0.866 10 0 FCAEHM COC(=O)[C@H]1CSCCN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000414418240 489499046 /nfs/dbraw/zinc/49/90/46/489499046.db2.gz YRRMGKYFECMDON-SECBINFHSA-N -1 3 363.395 0.940 10 0 FCAEHM CO[C@H]1COCC[C@H]1C[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000451774868 489523127 /nfs/dbraw/zinc/52/31/27/489523127.db2.gz NVZONWMDTZLFER-RYUDHWBXSA-N -1 3 363.457 0.420 10 0 FCAEHM COC(=O)C(C)(C)N1CCN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)CC1 ZINC000426096847 489554749 /nfs/dbraw/zinc/55/47/49/489554749.db2.gz AFPXINTXUPWKJZ-UHFFFAOYSA-N -1 3 374.397 0.671 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@@H](O)C3(CC3)C2)cc1F ZINC000372293049 489567787 /nfs/dbraw/zinc/56/77/87/489567787.db2.gz BXUKKQVWQZZGFQ-GFCCVEGCSA-N -1 3 364.420 0.343 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)Nc1ccc(CO)c(Cl)c1 ZINC000416200535 489573767 /nfs/dbraw/zinc/57/37/67/489573767.db2.gz CDLYKQRXDJGQBL-UHFFFAOYSA-N -1 3 350.824 0.727 10 0 FCAEHM C[C@H]1CN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)[C@@H](C)CN1CCO ZINC000416302559 489580788 /nfs/dbraw/zinc/58/07/88/489580788.db2.gz WVBBKLIONNNYGR-STQMWFEESA-N -1 3 355.460 0.585 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)N2C[C@H](C)N(CCO)C[C@@H]2C)c([O-])c1 ZINC000416305498 489581496 /nfs/dbraw/zinc/58/14/96/489581496.db2.gz IXADJFCAGBGXHV-GJZGRUSLSA-N -1 3 363.458 0.734 10 0 FCAEHM CNS(=O)(=O)c1cccc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c1 ZINC000427070345 489593344 /nfs/dbraw/zinc/59/33/44/489593344.db2.gz UAIKPOZMMAAOFT-UHFFFAOYSA-N -1 3 372.410 0.951 10 0 FCAEHM CNS(=O)(=O)c1cccc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c1 ZINC000427070345 489593346 /nfs/dbraw/zinc/59/33/46/489593346.db2.gz UAIKPOZMMAAOFT-UHFFFAOYSA-N -1 3 372.410 0.951 10 0 FCAEHM Cc1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)CC2 ZINC000372562863 489600053 /nfs/dbraw/zinc/60/00/53/489600053.db2.gz VPSMAGUXZCYVHN-NSHDSACASA-N -1 3 370.456 0.283 10 0 FCAEHM O=S(=O)([N-]C[C@@H](O)Cn1ccnn1)c1cccc(Cl)c1Cl ZINC000416553691 489609212 /nfs/dbraw/zinc/60/92/12/489609212.db2.gz CTANTFJFYHDQRY-MRVPVSSYSA-N -1 3 351.215 0.924 10 0 FCAEHM COCCNC(=O)C1([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1 ZINC000416568667 489610925 /nfs/dbraw/zinc/61/09/25/489610925.db2.gz KHFAZBPNXDUZJP-UHFFFAOYSA-N -1 3 374.415 0.257 10 0 FCAEHM O=S(=O)([N-]C[C@H](O)Cn1ccnn1)c1ccc(Br)s1 ZINC000416569873 489611034 /nfs/dbraw/zinc/61/10/34/489611034.db2.gz YWUUPKGCOUVRJQ-ZETCQYMHSA-N -1 3 367.250 0.442 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)NC[C@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000427568024 489614336 /nfs/dbraw/zinc/61/43/36/489614336.db2.gz CCNYNTMHAXBZDM-LLVKDONJSA-N -1 3 373.331 0.524 10 0 FCAEHM CN(C)c1cc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)ncc1Br ZINC000456574072 489619899 /nfs/dbraw/zinc/61/98/99/489619899.db2.gz BBMHOCANQJURJM-ZETCQYMHSA-N -1 3 356.180 0.447 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1CCN(CC(F)F)C1 ZINC000416666294 489624729 /nfs/dbraw/zinc/62/47/29/489624729.db2.gz WHKYZWHYADNQBB-SNVBAGLBSA-N -1 3 368.427 0.708 10 0 FCAEHM CC(C)OCCS(=O)(=O)[N-]CC(=O)Nc1nc2cc(F)ccc2[nH]1 ZINC000428041153 489634210 /nfs/dbraw/zinc/63/42/10/489634210.db2.gz OOTFIAWUHVLMGB-UHFFFAOYSA-N -1 3 358.395 0.985 10 0 FCAEHM CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000428056524 489635319 /nfs/dbraw/zinc/63/53/19/489635319.db2.gz MOVBDNKHQOEMED-QWRGUYRKSA-N -1 3 359.382 0.714 10 0 FCAEHM C/C=C\C[C@H]([N-]S(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)OCC ZINC000428090965 489637924 /nfs/dbraw/zinc/63/79/24/489637924.db2.gz YGMYFINVPOXQAW-FHMRSRPSSA-N -1 3 353.462 0.381 10 0 FCAEHM CNC(=O)[C@@H](NC(=O)CC[N-]S(=O)(=O)c1ccccc1F)C(C)C ZINC000428138051 489639034 /nfs/dbraw/zinc/63/90/34/489639034.db2.gz HJSDHSAKUYOHCY-AWEZNQCLSA-N -1 3 359.423 0.381 10 0 FCAEHM C[C@@H]1C[C@@H](S(=O)(=O)[N-]C[C@H](N2CCOCC2)C(F)(F)F)CCO1 ZINC000428189636 489641225 /nfs/dbraw/zinc/64/12/25/489641225.db2.gz PCXJZAFHAFTPDZ-WOPDTQHZSA-N -1 3 360.398 0.736 10 0 FCAEHM CCOC(=O)[C@H](Cc1ccccn1)[N-]S(=O)(=O)N1CCOC(C)(C)C1 ZINC000428423676 489647683 /nfs/dbraw/zinc/64/76/83/489647683.db2.gz PPTHCYIDQUYKCI-AWEZNQCLSA-N -1 3 371.459 0.501 10 0 FCAEHM CCOC(=O)[C@@H](Cc1ccccn1)[N-]S(=O)(=O)N1CCOC(C)(C)C1 ZINC000428423679 489647755 /nfs/dbraw/zinc/64/77/55/489647755.db2.gz PPTHCYIDQUYKCI-CQSZACIVSA-N -1 3 371.459 0.501 10 0 FCAEHM COCCN(C(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1)[C@H]1CCOC1 ZINC000428544543 489652924 /nfs/dbraw/zinc/65/29/24/489652924.db2.gz JDTZXSXXPHTXLR-NEPJUHHUSA-N -1 3 362.473 0.679 10 0 FCAEHM C[C@]1(c2ccc(CNc3nccn(C(F)F)c3=O)cc2)NC(=O)[N-]C1=O ZINC000570847490 491269339 /nfs/dbraw/zinc/26/93/39/491269339.db2.gz ZXHKLAKOMGLAEW-MRXNPFEDSA-N -1 3 363.324 1.305 10 0 FCAEHM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]Cc1noc(-c2cccc(F)c2)n1 ZINC000372975579 489657997 /nfs/dbraw/zinc/65/79/97/489657997.db2.gz GMQNMJCPUTVPII-SECBINFHSA-N -1 3 356.379 0.772 10 0 FCAEHM NC(=O)CN1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1=O ZINC000458058439 489668734 /nfs/dbraw/zinc/66/87/34/489668734.db2.gz ZNSHARLYDWCPKU-UHFFFAOYSA-N -1 3 367.405 0.753 10 0 FCAEHM C[C@@]1(c2ccc(CNC(=O)NC[C@H]3CCC[C@@H]3O)cc2)NC(=O)[N-]C1=O ZINC000458196078 489673885 /nfs/dbraw/zinc/67/38/85/489673885.db2.gz IEVNKKMUTXHEKL-IAISJRAMSA-N -1 3 360.414 0.701 10 0 FCAEHM CNC(=O)[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1OCCOC)C(C)C ZINC000469102413 489690108 /nfs/dbraw/zinc/69/01/08/489690108.db2.gz WLLVZCWMCNCJDM-AWEZNQCLSA-N -1 3 362.423 0.900 10 0 FCAEHM COCCOc1ccc(F)cc1S(=O)(=O)[N-]C1(CC(N)=O)CCC1 ZINC000469217767 489696511 /nfs/dbraw/zinc/69/65/11/489696511.db2.gz MQENCWYBDMUWBQ-UHFFFAOYSA-N -1 3 360.407 0.927 10 0 FCAEHM O=C([N-]c1cnns1)C(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000429689985 489696768 /nfs/dbraw/zinc/69/67/68/489696768.db2.gz GXUPWHDAYCMGCA-UHFFFAOYSA-N -1 3 357.399 0.926 10 0 FCAEHM CCc1cnc(N2CCN(C(=O)C(=O)[N-]c3cnns3)CC2)s1 ZINC000430046197 489717179 /nfs/dbraw/zinc/71/71/79/489717179.db2.gz NSXPGVMQSYGXPD-UHFFFAOYSA-N -1 3 352.445 0.844 10 0 FCAEHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1C[C@@H](C(N)=O)CC[C@H]1C ZINC000430224718 489725902 /nfs/dbraw/zinc/72/59/02/489725902.db2.gz WHFQMJBKWBJUFM-ZJUUUORDSA-N -1 3 367.427 0.976 10 0 FCAEHM Cc1nc2ccc(S(=O)(=O)N3CCN4C(=O)[N-]C(=O)[C@@H]4C3)cc2s1 ZINC000489724669 489726582 /nfs/dbraw/zinc/72/65/82/489726582.db2.gz ZRIYFAITXRVKFZ-NSHDSACASA-N -1 3 366.424 0.529 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2C[C@H](C)O[C@H](C)[C@@H]2C)cn1C ZINC000474342368 489756165 /nfs/dbraw/zinc/75/61/65/489756165.db2.gz UYBUZMYCFWKTBY-SDDRHHMPSA-N -1 3 358.464 0.421 10 0 FCAEHM CS(=O)(=O)[N-]c1cc(C(=O)NCc2cc(C(N)=O)co2)ccc1F ZINC000490804688 489784741 /nfs/dbraw/zinc/78/47/41/489784741.db2.gz RWKFKZVEEBJABP-UHFFFAOYSA-N -1 3 355.347 0.819 10 0 FCAEHM O=C(C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1)c1ccc(Br)cc1 ZINC000490849114 489786103 /nfs/dbraw/zinc/78/61/03/489786103.db2.gz AOABAUYSWVQGDQ-SNVBAGLBSA-N -1 3 366.171 0.394 10 0 FCAEHM Cc1cccc(-n2cc(C(=O)N3CCC[C@@]4(C3)NC(=O)[N-]C4=O)nn2)c1 ZINC000377039080 489841263 /nfs/dbraw/zinc/84/12/63/489841263.db2.gz DNBAIIAMGCJLEW-KRWDZBQOSA-N -1 3 354.370 0.390 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)NC[C@]1(CCO)CCOC1 ZINC000475823552 489852757 /nfs/dbraw/zinc/85/27/57/489852757.db2.gz DQMJJYDIHNVJDT-AWEZNQCLSA-N -1 3 362.473 0.322 10 0 FCAEHM CN(C)c1ccc(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2N)cc1 ZINC000432769567 489853969 /nfs/dbraw/zinc/85/39/69/489853969.db2.gz PDEZHWZDJRIFFT-UHFFFAOYSA-N -1 3 370.456 0.783 10 0 FCAEHM COc1cc(OC)c2ncnc(N3CCC[C@]4(C3)NC(=O)[N-]C4=O)c2c1 ZINC000432931293 489859003 /nfs/dbraw/zinc/85/90/03/489859003.db2.gz BDQOXNNZGZMJBK-QGZVFWFLSA-N -1 3 357.370 0.825 10 0 FCAEHM Cc1nn2cc(S(=O)(=O)[N-]Cc3cc(C(N)=O)co3)cnc2c1Cl ZINC000494322969 489882783 /nfs/dbraw/zinc/88/27/83/489882783.db2.gz NNJXCWMEFBHPHL-UHFFFAOYSA-N -1 3 369.790 0.862 10 0 FCAEHM CSc1ccc(S(=O)(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000433438756 489883087 /nfs/dbraw/zinc/88/30/87/489883087.db2.gz DGLPVQPDARHQLW-CQSZACIVSA-N -1 3 355.441 0.771 10 0 FCAEHM CSc1ccc(S(=O)(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000433438755 489883531 /nfs/dbraw/zinc/88/35/31/489883531.db2.gz DGLPVQPDARHQLW-AWEZNQCLSA-N -1 3 355.441 0.771 10 0 FCAEHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]Cc1cc(C(N)=O)co1 ZINC000494367258 489886807 /nfs/dbraw/zinc/88/68/07/489886807.db2.gz JZYRQKQMTLCFOP-UHFFFAOYSA-N -1 3 356.331 0.783 10 0 FCAEHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)CN2C(=O)NC(C)(C)C2=O)c1 ZINC000461022647 489894277 /nfs/dbraw/zinc/89/42/77/489894277.db2.gz JACVQKZSDUIHNM-UHFFFAOYSA-N -1 3 368.415 0.635 10 0 FCAEHM CN(CCN1CCOCC1)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000377517978 489913313 /nfs/dbraw/zinc/91/33/13/489913313.db2.gz DHUMTDOKRKCKKW-MRXNPFEDSA-N -1 3 361.442 0.787 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)N1CCNC[C@H]1C(F)F ZINC000377558975 489919230 /nfs/dbraw/zinc/91/92/30/489919230.db2.gz BNXFPOGJJOSDME-NSHDSACASA-N -1 3 365.377 0.560 10 0 FCAEHM CCn1c(NC(=O)C[N-]S(=O)(=O)CCOC(C)C)nc2cccnc21 ZINC000476964457 489928296 /nfs/dbraw/zinc/92/82/96/489928296.db2.gz SSIZPBCWVLFRLB-UHFFFAOYSA-N -1 3 369.447 0.734 10 0 FCAEHM COC(=O)[C@H](C[C@@H]1CCCc2ccccc21)NC(=O)CN1CC(=O)[N-]C1=O ZINC000461751437 489932953 /nfs/dbraw/zinc/93/29/53/489932953.db2.gz ZAZMLGSNPIRYBQ-ZFWWWQNUSA-N -1 3 373.409 0.706 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]C[C@@H](N1CCOCC1)C(F)(F)F)C1CC1 ZINC000571161413 491289269 /nfs/dbraw/zinc/28/92/69/491289269.db2.gz KDDSAHBFHJWUBA-VXGBXAGGSA-N -1 3 360.398 0.594 10 0 FCAEHM C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCc1ncccc1[O-] ZINC000477135777 489945960 /nfs/dbraw/zinc/94/59/60/489945960.db2.gz JAFVNRYOOKLGGK-MRXNPFEDSA-N -1 3 362.386 0.019 10 0 FCAEHM C[C@H](O)C(=O)N1CCN(C(=O)Cc2ccc(Br)cc2[O-])CC1 ZINC000477433125 489964546 /nfs/dbraw/zinc/96/45/46/489964546.db2.gz HVFPSMSGPUSODZ-JTQLQIEISA-N -1 3 371.231 0.749 10 0 FCAEHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(CC)[C@@H]1CCOC1 ZINC000462284220 489966576 /nfs/dbraw/zinc/96/65/76/489966576.db2.gz SNRZMDHROMJZGC-GFCCVEGCSA-N -1 3 362.473 0.784 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)CCCS(C)(=O)=O)c1nc(C(C)(C)C)no1 ZINC000462684042 489987804 /nfs/dbraw/zinc/98/78/04/489987804.db2.gz PXRVKPMZDMTCFF-VIFPVBQESA-N -1 3 353.466 0.782 10 0 FCAEHM Cn1c(=O)[nH]cc(C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)c1=O ZINC000435230039 489990142 /nfs/dbraw/zinc/99/01/42/489990142.db2.gz AJBDRRLYCNEPCY-UHFFFAOYSA-N -1 3 356.335 0.249 10 0 FCAEHM O=C(NC[C@]1(CCO)CCOC1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436635051 490009674 /nfs/dbraw/zinc/00/96/74/490009674.db2.gz MFALGMGTQACAJX-BEFAXECRSA-N -1 3 362.426 0.902 10 0 FCAEHM CN(C)c1nc(C(=O)Nc2cccc([C@]3(C)NC(=O)NC3=O)c2)cc(=O)[n-]1 ZINC000463324879 490009873 /nfs/dbraw/zinc/00/98/73/490009873.db2.gz JCAYOHLURVGOFP-KRWDZBQOSA-N -1 3 370.369 0.555 10 0 FCAEHM C[C@@H]1CC[C@@H](O)CN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000420720667 490014028 /nfs/dbraw/zinc/01/40/28/490014028.db2.gz SSESKHSIBMBHMH-NXEZZACHSA-N -1 3 366.436 0.731 10 0 FCAEHM CC(C)Oc1ccc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)nn1 ZINC000436846508 490015118 /nfs/dbraw/zinc/01/51/18/490015118.db2.gz XYKZKYBFDKPWFB-UHFFFAOYSA-N -1 3 359.386 1.521 10 0 FCAEHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@@H](O)CC[C@@H]1C ZINC000420742109 490016406 /nfs/dbraw/zinc/01/64/06/490016406.db2.gz ITKZXAHMZJTMCL-RYUDHWBXSA-N -1 3 362.473 0.519 10 0 FCAEHM COCCCOC1CN(C(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000478561478 490025481 /nfs/dbraw/zinc/02/54/81/490025481.db2.gz LMTPLTWIGQCUSD-UHFFFAOYSA-N -1 3 373.409 0.522 10 0 FCAEHM CCN(C(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C)c1)[C@H]1CCOC1 ZINC000463983861 490035379 /nfs/dbraw/zinc/03/53/79/490035379.db2.gz VNHSXYORIUBAHG-NSHDSACASA-N -1 3 373.406 0.310 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCCN(C(=O)c2ccccc2F)CC1 ZINC000378302102 490043677 /nfs/dbraw/zinc/04/36/77/490043677.db2.gz TZYQLLLBDGYUFP-ZDUSSCGKSA-N -1 3 362.361 0.098 10 0 FCAEHM CCO[C@H]1C[C@]([N-]S(=O)(=O)N(C)CCOC)(C(=O)OC)C1(C)C ZINC000444274387 490079118 /nfs/dbraw/zinc/07/91/18/490079118.db2.gz AWHXKPSINHRMFG-FZMZJTMJSA-N -1 3 352.453 0.146 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(C2CC2)CC1 ZINC000442974864 490062757 /nfs/dbraw/zinc/06/27/57/490062757.db2.gz DRMAPGFKUZFBOD-UHFFFAOYSA-N -1 3 359.473 0.063 10 0 FCAEHM COC(=O)c1ccc([C@@H](NC(=O)C[C@@H]2NC(=O)[N-]C2=O)C(F)(F)F)cc1 ZINC000479096484 490066022 /nfs/dbraw/zinc/06/60/22/490066022.db2.gz FZSALPLSMUZSDZ-GXSJLCMTSA-N -1 3 373.287 0.791 10 0 FCAEHM COC(=O)CCN(Cc1cccc(F)c1F)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000491059378 490075727 /nfs/dbraw/zinc/07/57/27/490075727.db2.gz SPGKJEYYQSVYRQ-NSHDSACASA-N -1 3 369.324 0.455 10 0 FCAEHM COC(=O)[C@@H](C)CS(=O)(=O)[N-]Cc1ncn(Cc2cccc(F)c2)n1 ZINC000444277150 490081360 /nfs/dbraw/zinc/08/13/60/490081360.db2.gz KLXFLAGPIZKIEJ-NSHDSACASA-N -1 3 370.406 0.694 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1C[C@@H](CO)OC(C)(C)C1 ZINC000421911533 490110429 /nfs/dbraw/zinc/11/04/29/490110429.db2.gz BNRLCHNETCKXEN-RYUDHWBXSA-N -1 3 374.434 0.491 10 0 FCAEHM CC1(C)CN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C[C@@H](CO)O1 ZINC000421931813 490115777 /nfs/dbraw/zinc/11/57/77/490115777.db2.gz JBQSVPBOOLZHSH-ZFWWWQNUSA-N -1 3 362.426 0.995 10 0 FCAEHM CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000506685558 490125528 /nfs/dbraw/zinc/12/55/28/490125528.db2.gz FKKVYHPOPCAAHH-AAEUAGOBSA-N -1 3 363.439 0.976 10 0 FCAEHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)c1 ZINC000506700790 490131018 /nfs/dbraw/zinc/13/10/18/490131018.db2.gz WZIGGFCKZKAISO-RISCZKNCSA-N -1 3 369.443 0.798 10 0 FCAEHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)c1 ZINC000506700788 490131109 /nfs/dbraw/zinc/13/11/09/490131109.db2.gz WZIGGFCKZKAISO-BXUZGUMPSA-N -1 3 369.443 0.798 10 0 FCAEHM C[C@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1ccc(NC(=O)NC2CC2)cc1 ZINC000480404706 490187347 /nfs/dbraw/zinc/18/73/47/490187347.db2.gz MCWZOUOEKVFZQP-ZANVPECISA-N -1 3 359.386 0.746 10 0 FCAEHM CCCn1c(=O)[n-]nc1S(=O)(=O)CCN1C(=O)c2ccccc2C1=O ZINC000520842269 490198790 /nfs/dbraw/zinc/19/87/90/490198790.db2.gz QSVDDLKQGGLNDT-UHFFFAOYSA-N -1 3 364.383 0.464 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2c(C(=O)N3CC[C@@H](O)C3(C)C)cc(C3CC3)nc21 ZINC000520939552 490208834 /nfs/dbraw/zinc/20/88/34/490208834.db2.gz JHIGHMMSQWUIBO-GFCCVEGCSA-N -1 3 358.398 0.897 10 0 FCAEHM C[C@H]1CC(C)(C)C[C@@](CO)(NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)C1 ZINC000546215153 490209181 /nfs/dbraw/zinc/20/91/81/490209181.db2.gz NXSQPBSZHFGRID-LRDDRELGSA-N -1 3 372.491 0.392 10 0 FCAEHM C[C@@H]1CCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C[C@H]1C(=O)[O-] ZINC000571438773 491307916 /nfs/dbraw/zinc/30/79/16/491307916.db2.gz FIPYDSZPAXUEDO-KFWWJZLASA-N -1 3 368.478 0.681 10 0 FCAEHM O=C(NC1CCN(c2ccccc2)CC1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000564459473 491308244 /nfs/dbraw/zinc/30/82/44/491308244.db2.gz CEALBPGJJMXIOV-OAHLLOKOSA-N -1 3 357.414 0.601 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)N1CCN(C2CC2)C(=O)C1 ZINC000533327944 490217221 /nfs/dbraw/zinc/21/72/21/490217221.db2.gz QONDNIWAIGWMFO-UHFFFAOYSA-N -1 3 372.472 0.043 10 0 FCAEHM CC(=O)N[C@H]1CCCN(C(=O)CN2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)C1 ZINC000571443929 491308610 /nfs/dbraw/zinc/30/86/10/491308610.db2.gz CLRMNEJITKNAJC-KSZLIROESA-N -1 3 373.453 0.914 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1C[C@@H](C)N(C)C[C@@H]1C ZINC000408071012 490239459 /nfs/dbraw/zinc/23/94/59/490239459.db2.gz JIZIOJYUOOBKIM-SCVCMEIPSA-N -1 3 358.464 0.509 10 0 FCAEHM C[C@H]1CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)C[C@H]1O ZINC000408091991 490246734 /nfs/dbraw/zinc/24/67/34/490246734.db2.gz WNGJGHPOUDGYSX-TVQRCGJNSA-N -1 3 366.436 0.589 10 0 FCAEHM O=C(NCc1cnn(-c2ccccc2)c1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000546826789 490249672 /nfs/dbraw/zinc/24/96/72/490249672.db2.gz GLJQBSKSOBSCSZ-CQSZACIVSA-N -1 3 354.370 0.318 10 0 FCAEHM O=C(NCc1cnn(-c2ccccc2)c1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000546826788 490249922 /nfs/dbraw/zinc/24/99/22/490249922.db2.gz GLJQBSKSOBSCSZ-AWEZNQCLSA-N -1 3 354.370 0.318 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)NCC[C@H](C)[S@@](C)=O)s1 ZINC000482939728 490265414 /nfs/dbraw/zinc/26/54/14/490265414.db2.gz AWBOJAGECUQNBR-JLTPVHFHSA-N -1 3 367.518 0.613 10 0 FCAEHM C[C@@H]1CCN(C(=O)c2cn(C)c(=O)[n-]c2=O)C[C@H]1C(=O)OC(C)(C)C ZINC000571524780 491313296 /nfs/dbraw/zinc/31/32/96/491313296.db2.gz COMLWRCCMPQPIE-GHMZBOCLSA-N -1 3 351.403 0.926 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CC[C@@H](Nc2ncccn2)C1 ZINC000571525052 491313523 /nfs/dbraw/zinc/31/35/23/491313523.db2.gz HVSYOOJNWFROCY-LLVKDONJSA-N -1 3 367.456 0.529 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000408242457 490286628 /nfs/dbraw/zinc/28/66/28/490286628.db2.gz UTYDDBPNEZTVCR-WDEREUQCSA-N -1 3 351.450 0.430 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)NC[C@H]2C[C@H]2C)s1 ZINC000467519238 490305592 /nfs/dbraw/zinc/30/55/92/490305592.db2.gz AYWWARHPLLDYEP-MWLCHTKSSA-N -1 3 359.473 0.435 10 0 FCAEHM COC(=O)[C@@H](NC(=O)CN1CC(=O)[N-]C1=O)c1ccc(Cl)c(F)c1 ZINC000534037219 490312030 /nfs/dbraw/zinc/31/20/30/490312030.db2.gz IFYXOZNPPFCANU-LBPRGKRZSA-N -1 3 357.725 0.361 10 0 FCAEHM COC(=O)[C@H](NC(=O)CN1CC(=O)[N-]C1=O)c1ccc(Cl)c(F)c1 ZINC000534037218 490312043 /nfs/dbraw/zinc/31/20/43/490312043.db2.gz IFYXOZNPPFCANU-GFCCVEGCSA-N -1 3 357.725 0.361 10 0 FCAEHM CC1CCN(S(=O)(=O)[N-][C@@H]2CCCN(c3ccnn3C)C2=O)CC1 ZINC000408387280 490322995 /nfs/dbraw/zinc/32/29/95/490322995.db2.gz VJKVJOALEFHIIX-CYBMUJFWSA-N -1 3 355.464 0.482 10 0 FCAEHM CC1(C)Cc2ccc(C(=O)N3CCC[C@H](S(N)(=O)=O)C3)c([O-])c2O1 ZINC000408409296 490329440 /nfs/dbraw/zinc/32/94/40/490329440.db2.gz WFLNPKIGBCAOMR-NSHDSACASA-N -1 3 354.428 0.999 10 0 FCAEHM Cc1cccc(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1[O-] ZINC000408409931 490329893 /nfs/dbraw/zinc/32/98/93/490329893.db2.gz GNIKUPHGOCBURA-UHFFFAOYSA-N -1 3 369.443 0.035 10 0 FCAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N[C@@H]2C[C@H]3C[C@H]3C2)s1 ZINC000564652233 491318436 /nfs/dbraw/zinc/31/84/36/491318436.db2.gz GKUHOSBPXBXYTI-ZSBIGDGJSA-N -1 3 371.484 0.577 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H]1CCCCC[C@@H]1C(N)=O ZINC000467757089 490336637 /nfs/dbraw/zinc/33/66/37/490336637.db2.gz WVUBMYHRENFNTK-SDDRHHMPSA-N -1 3 373.500 0.965 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCc1cccc(NC(=O)c2cccnc2)c1 ZINC000534268643 490338015 /nfs/dbraw/zinc/33/80/15/490338015.db2.gz XRTDCIWGKMDRJL-AWEZNQCLSA-N -1 3 367.365 0.548 10 0 FCAEHM O=C(NCc1ncccc1[O-])C(=O)Nc1ccc2c(c1F)CCNC2=O ZINC000556537322 491318965 /nfs/dbraw/zinc/31/89/65/491318965.db2.gz FIZNTTWUPRTTFI-UHFFFAOYSA-N -1 3 358.329 0.467 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N(C)Cc2cnn(C)c2C)cn1C ZINC000547741327 490350600 /nfs/dbraw/zinc/35/06/00/490350600.db2.gz XOJZCKGYTALKMG-UHFFFAOYSA-N -1 3 368.463 0.097 10 0 FCAEHM O=C(c1cccc([O-])c1)N1CCN(c2ccnc(N3CCOCC3)n2)CC1 ZINC000498893601 490361366 /nfs/dbraw/zinc/36/13/66/490361366.db2.gz SIHIPUKLYPIFOS-UHFFFAOYSA-N -1 3 369.425 0.981 10 0 FCAEHM Cn1ccc(CNC(=O)NCc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)n1 ZINC000498968915 490374360 /nfs/dbraw/zinc/37/43/60/490374360.db2.gz PWXSDOAVPILENR-KRWDZBQOSA-N -1 3 356.386 0.474 10 0 FCAEHM COC(=O)Cc1n[n-]c(NC(=O)[C@@H](NC(=O)c2ccccn2)C(C)C)n1 ZINC000522925768 490419835 /nfs/dbraw/zinc/41/98/35/490419835.db2.gz HOTSFBJHLLKAIV-ZDUSSCGKSA-N -1 3 360.374 0.308 10 0 FCAEHM COC(=O)Cc1nnc(NC(=O)[C@@H](NC(=O)c2ccccn2)C(C)C)[n-]1 ZINC000522925768 490419840 /nfs/dbraw/zinc/41/98/40/490419840.db2.gz HOTSFBJHLLKAIV-ZDUSSCGKSA-N -1 3 360.374 0.308 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)[C@@H](NC(=O)c2ccccn2)C(C)C)n[n-]1 ZINC000522925768 490419847 /nfs/dbraw/zinc/41/98/47/490419847.db2.gz HOTSFBJHLLKAIV-ZDUSSCGKSA-N -1 3 360.374 0.308 10 0 FCAEHM C[C@H]1CN(C(=O)c2ccc(NC(=O)CN3CC(=O)[N-]C3=O)cc2)C[C@H](C)O1 ZINC000522936406 490421262 /nfs/dbraw/zinc/42/12/62/490421262.db2.gz AQAYFMSXPBEQAI-RYUDHWBXSA-N -1 3 374.397 0.426 10 0 FCAEHM Cc1cc(CS(=O)(=O)[N-]Cc2cccc(N3CCOCC3)n2)on1 ZINC000548150855 490430694 /nfs/dbraw/zinc/43/06/94/490430694.db2.gz VZMUUMUBLZHXAC-UHFFFAOYSA-N -1 3 352.416 0.834 10 0 FCAEHM CCCc1nc(=NC(=O)C(=O)N2CCC[C@H]2CN2CCCC2)s[n-]1 ZINC000411396752 490447308 /nfs/dbraw/zinc/44/73/08/490447308.db2.gz GIOIXYDIGAEJAV-LBPRGKRZSA-N -1 3 351.476 0.938 10 0 FCAEHM O=C(CNC(=O)c1cccc([O-])c1)NCCC1CCS(=O)(=O)CC1 ZINC000548308770 490459905 /nfs/dbraw/zinc/45/99/05/490459905.db2.gz VOZUZWGLKWNARC-UHFFFAOYSA-N -1 3 354.428 0.453 10 0 FCAEHM CN(CC1CC1)C(=O)CS(=O)(=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000535241403 490468158 /nfs/dbraw/zinc/46/81/58/490468158.db2.gz BYABJOJLAXFSDD-UHFFFAOYSA-N -1 3 367.349 0.984 10 0 FCAEHM C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000548493675 490492782 /nfs/dbraw/zinc/49/27/82/490492782.db2.gz WQCRZVYZSYWRLG-ZJUUUORDSA-N -1 3 368.381 0.888 10 0 FCAEHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000500235772 490493275 /nfs/dbraw/zinc/49/32/75/490493275.db2.gz ZBDIBSQAPKOTAX-UWVGGRQHSA-N -1 3 367.427 0.894 10 0 FCAEHM COC(=O)C[C@H]1C(=O)NCCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000510260489 490504226 /nfs/dbraw/zinc/50/42/26/490504226.db2.gz UZAXQTYKOGROSG-NSHDSACASA-N -1 3 370.365 0.945 10 0 FCAEHM CC(=O)Nc1ccc(Br)cc1NC(=O)CN1CC(=O)[N-]C1=O ZINC000524059389 490513078 /nfs/dbraw/zinc/51/30/78/490513078.db2.gz OGNYIERPHFKEGN-UHFFFAOYSA-N -1 3 369.175 0.898 10 0 FCAEHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)c1nncn1C ZINC000510425672 490514664 /nfs/dbraw/zinc/51/46/64/490514664.db2.gz APBVLMIBZSEOAM-CYBMUJFWSA-N -1 3 372.472 0.894 10 0 FCAEHM CCOC(=O)[C@H]1CCCN(S(=O)(=O)[N-]Cc2noc(C3CC3)n2)C1 ZINC000535710407 490515138 /nfs/dbraw/zinc/51/51/38/490515138.db2.gz WSGYLCRKZJSBCJ-NSHDSACASA-N -1 3 358.420 0.557 10 0 FCAEHM CCOC(=O)C[C@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1cccc(OC)c1 ZINC000535715287 490515725 /nfs/dbraw/zinc/51/57/25/490515725.db2.gz MEWHMABGGZZPBD-STQMWFEESA-N -1 3 363.370 0.404 10 0 FCAEHM C[C@@H]1CN(CC[N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)CCO1 ZINC000548694512 490530357 /nfs/dbraw/zinc/53/03/57/490530357.db2.gz KKCDTXRBUMHALN-GFCCVEGCSA-N -1 3 362.473 0.089 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-][C@H](Cc2ccc(Cl)cc2)C(N)=O)c1 ZINC000510705711 490536236 /nfs/dbraw/zinc/53/62/36/490536236.db2.gz WPAQYKMBTLIAQH-GFCCVEGCSA-N -1 3 356.835 0.931 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@H](CO)Cc1ccco1 ZINC000535906337 490540738 /nfs/dbraw/zinc/54/07/38/490540738.db2.gz NOHAKMVDYMWXEI-GFCCVEGCSA-N -1 3 373.452 0.813 10 0 FCAEHM CCS(=O)(=O)C[C@H](C)[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000536009037 490546186 /nfs/dbraw/zinc/54/61/86/490546186.db2.gz ZPENJZTYFAOJDR-JTQLQIEISA-N -1 3 369.486 0.192 10 0 FCAEHM COC(=O)C1CCC([N-]S(=O)(=O)c2cscn2)(C(=O)OC)CC1 ZINC000564913332 491336044 /nfs/dbraw/zinc/33/60/44/491336044.db2.gz WPIOFPSEGODQQF-UHFFFAOYSA-N -1 3 362.429 0.696 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC[C@@H](C(F)(F)F)C2)cn1C ZINC000511156894 490566643 /nfs/dbraw/zinc/56/66/43/490566643.db2.gz PBEZZRCXRLJTKX-SNVBAGLBSA-N -1 3 368.381 0.808 10 0 FCAEHM C[C@](O)(CO)CNC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000549426229 490581866 /nfs/dbraw/zinc/58/18/66/490581866.db2.gz CIEBKPZXBUZPSN-CQSZACIVSA-N -1 3 355.188 0.764 10 0 FCAEHM CCn1cc(S(=O)(=O)[N-]C[C@@H]2CCCCN2S(C)(=O)=O)nc1C ZINC000511360470 490585601 /nfs/dbraw/zinc/58/56/01/490585601.db2.gz KFRWWNKIILTNTE-LBPRGKRZSA-N -1 3 364.493 0.304 10 0 FCAEHM COC(=O)[C@H]1CCCN(C(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000525219029 490585918 /nfs/dbraw/zinc/58/59/18/490585918.db2.gz RAUCRVJJJLBSOB-LBPRGKRZSA-N -1 3 371.393 0.670 10 0 FCAEHM Cc1nc(C(=O)NCc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)c(=O)[nH]c1C ZINC000486045272 490586569 /nfs/dbraw/zinc/58/65/69/490586569.db2.gz NMYUVILJPXAGHJ-GOSISDBHSA-N -1 3 369.381 0.784 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000536533870 490586937 /nfs/dbraw/zinc/58/69/37/490586937.db2.gz GNTGKFZJEKWXLN-LBPRGKRZSA-N -1 3 366.399 0.008 10 0 FCAEHM COC(=O)c1ccc(N2CCN(C(=O)C[C@@H]3NC(=O)[N-]C3=O)[C@H](C)C2)cc1 ZINC000486161661 490594897 /nfs/dbraw/zinc/59/48/97/490594897.db2.gz CJWCEZHZDMAQDD-RISCZKNCSA-N -1 3 374.397 0.108 10 0 FCAEHM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]Cc1nccn1CC(C)C ZINC000501468982 490607171 /nfs/dbraw/zinc/60/71/71/490607171.db2.gz OFPQOQCOTRPBMV-UHFFFAOYSA-N -1 3 355.420 0.917 10 0 FCAEHM C[C@@H]1CCCN(S(=O)(=O)Nc2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)C1 ZINC000536700568 490608718 /nfs/dbraw/zinc/60/87/18/490608718.db2.gz UUHJCBWCTVMQSW-RISCZKNCSA-N -1 3 366.443 0.826 10 0 FCAEHM O=C(CNC(=O)c1ccc([O-])cc1)NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000549816216 490609432 /nfs/dbraw/zinc/60/94/32/490609432.db2.gz SVQVBBIEIRCHAH-PBHICJAKSA-N -1 3 362.426 0.806 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)N2CCN3C(=O)N=NC3C2)ccc1F ZINC000486421437 490622981 /nfs/dbraw/zinc/62/29/81/490622981.db2.gz UUVZQKPCHHURQC-UHFFFAOYSA-N -1 3 370.366 0.079 10 0 FCAEHM CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000511974376 490645868 /nfs/dbraw/zinc/64/58/68/490645868.db2.gz RMCWFDXDGBTIIL-ZIAGYGMSSA-N -1 3 358.460 0.946 10 0 FCAEHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]CCNC(=O)c3cccnc3)cn21 ZINC000572012749 491342753 /nfs/dbraw/zinc/34/27/53/491342753.db2.gz XZAKOSZHZXOYRH-GFCCVEGCSA-N -1 3 363.443 0.884 10 0 FCAEHM C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000564985025 491343540 /nfs/dbraw/zinc/34/35/40/491343540.db2.gz DHFRAPRQUPBAID-QPSCCSFWSA-N -1 3 353.463 0.792 10 0 FCAEHM COCCCN(CCc1ccc(OC)cc1)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000486780102 490670249 /nfs/dbraw/zinc/67/02/49/490670249.db2.gz OZFNWYIILCGHKN-HNNXBMFYSA-N -1 3 363.414 0.701 10 0 FCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCc2c(ncn2CCc2ccccc2)C1 ZINC000538316717 490726411 /nfs/dbraw/zinc/72/64/11/490726411.db2.gz KIRQOKKUGNFRKL-AWEZNQCLSA-N -1 3 367.409 0.609 10 0 FCAEHM Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)NCc1ncccc1[O-] ZINC000527480153 490729006 /nfs/dbraw/zinc/72/90/06/490729006.db2.gz SVWHRXMDPKFEBI-UHFFFAOYSA-N -1 3 363.395 0.754 10 0 FCAEHM O=C(Cc1ccc(Br)s1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000538708496 490745699 /nfs/dbraw/zinc/74/56/99/490745699.db2.gz NCUBGUWVPGHMBP-QMMMGPOBSA-N -1 3 358.217 0.816 10 0 FCAEHM Cc1cc(C)c(C(=O)NC2CCN(C(=O)CN3CC(=O)[N-]C3=O)CC2)o1 ZINC000527584478 490748093 /nfs/dbraw/zinc/74/80/93/490748093.db2.gz ZVZJHHUYOTUTAS-UHFFFAOYSA-N -1 3 362.386 0.169 10 0 FCAEHM CCOC(=O)Cn1cccc([N-]S(=O)(=O)c2cn(CC)cn2)c1=O ZINC000513812075 490749265 /nfs/dbraw/zinc/74/92/65/490749265.db2.gz DKLIJJUVRZHUKT-UHFFFAOYSA-N -1 3 354.388 0.429 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000538933715 490758390 /nfs/dbraw/zinc/75/83/90/490758390.db2.gz RVPYVTJFPKVDFC-UHFFFAOYSA-N -1 3 357.366 0.625 10 0 FCAEHM CC(=O)N(C)c1ccccc1NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000503675140 490770424 /nfs/dbraw/zinc/77/04/24/490770424.db2.gz IXWXIIXZPOVZAX-UHFFFAOYSA-N -1 3 365.415 0.320 10 0 FCAEHM CO[C@H](CS(=O)(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1)c1ccc(F)cc1 ZINC000528367752 490791343 /nfs/dbraw/zinc/79/13/43/490791343.db2.gz RNWGFWZTZQTPBC-QWHCGFSZSA-N -1 3 371.390 0.079 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-][C@@H]1CCC(=O)N(C)C1=O)c1ccc(F)cc1 ZINC000528421279 490796616 /nfs/dbraw/zinc/79/66/16/490796616.db2.gz FAZHDSNYALMTHT-OLZOCXBDSA-N -1 3 358.391 0.580 10 0 FCAEHM CCn1ncc(C[N-]S(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)n1 ZINC000528445526 490798183 /nfs/dbraw/zinc/79/81/83/490798183.db2.gz GDABZJYEWKQLLB-UHFFFAOYSA-N -1 3 355.811 0.781 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)NCC[C@H]3CCCOC3)cnc21 ZINC000528448268 490798482 /nfs/dbraw/zinc/79/84/82/490798482.db2.gz JWJNMDGRLRYRNM-SNVBAGLBSA-N -1 3 368.415 0.129 10 0 FCAEHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]C[C@@H](O)[C@H]2CCCO2)s1 ZINC000528482697 490802618 /nfs/dbraw/zinc/80/26/18/490802618.db2.gz CXAQPTJGRBPXIU-CHWSQXEVSA-N -1 3 362.473 0.245 10 0 FCAEHM COc1ccc(CN2CC[C@H]2C[N-]S(=O)(=O)c2ccn(C)n2)cc1 ZINC000528501437 490804824 /nfs/dbraw/zinc/80/48/24/490804824.db2.gz MCXHFBDSNCHRCX-AWEZNQCLSA-N -1 3 350.444 0.982 10 0 FCAEHM O=S(=O)([N-]CC1COC1)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000528565595 490809990 /nfs/dbraw/zinc/80/99/90/490809990.db2.gz SSOMXWVJBOIFOR-UHFFFAOYSA-N -1 3 360.457 0.396 10 0 FCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000505116493 490820365 /nfs/dbraw/zinc/82/03/65/490820365.db2.gz BMGGXJWUNQOZOH-JGVFFNPUSA-N -1 3 351.338 0.283 10 0 FCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000505116493 490820369 /nfs/dbraw/zinc/82/03/69/490820369.db2.gz BMGGXJWUNQOZOH-JGVFFNPUSA-N -1 3 351.338 0.283 10 0 FCAEHM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000505116493 490820372 /nfs/dbraw/zinc/82/03/72/490820372.db2.gz BMGGXJWUNQOZOH-JGVFFNPUSA-N -1 3 351.338 0.283 10 0 FCAEHM CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000505116495 490820473 /nfs/dbraw/zinc/82/04/73/490820473.db2.gz BMGGXJWUNQOZOH-YUMQZZPRSA-N -1 3 351.338 0.283 10 0 FCAEHM CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000505116495 490820476 /nfs/dbraw/zinc/82/04/76/490820476.db2.gz BMGGXJWUNQOZOH-YUMQZZPRSA-N -1 3 351.338 0.283 10 0 FCAEHM CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000505116495 490820479 /nfs/dbraw/zinc/82/04/79/490820479.db2.gz BMGGXJWUNQOZOH-YUMQZZPRSA-N -1 3 351.338 0.283 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@]3(CCSC3)C2)c(C)o1 ZINC000572245969 491358197 /nfs/dbraw/zinc/35/81/97/491358197.db2.gz JGNJKDGGBXRNJK-CQSZACIVSA-N -1 3 360.457 0.844 10 0 FCAEHM O=C([C@H]1CCCn2cc(C(F)(F)F)nc21)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000528780389 490827873 /nfs/dbraw/zinc/82/78/73/490827873.db2.gz CRNCNGGMNUIJEA-DTWKUNHWSA-N -1 3 371.319 0.542 10 0 FCAEHM O=C(CN1CCN2C(=O)[N-]C(=O)[C@@H]2C1)NCCc1cccc2cccnc21 ZINC000540911975 490839704 /nfs/dbraw/zinc/83/97/04/490839704.db2.gz NUTFZYUECCUOSU-HNNXBMFYSA-N -1 3 367.409 0.130 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCC[S@@](C)=O ZINC000506166209 490853243 /nfs/dbraw/zinc/85/32/43/490853243.db2.gz JIWODRYHCCSZDJ-CHNSCGDPSA-N -1 3 350.437 0.377 10 0 FCAEHM CNC(=O)NC[C@@H]1CN(C(=O)c2cc(OC)c([O-])c(OC)c2)CCO1 ZINC000529742932 490871209 /nfs/dbraw/zinc/87/12/09/490871209.db2.gz KRWMYUMUVHUSDQ-LLVKDONJSA-N -1 3 353.375 0.179 10 0 FCAEHM O=C(Nc1csc(-c2ccccn2)n1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000541763088 490871317 /nfs/dbraw/zinc/87/13/17/490871317.db2.gz AXAMZPCFPJLFRR-SNVBAGLBSA-N -1 3 358.383 0.973 10 0 FCAEHM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCC[C@@H](N3CCNCC3=O)C1)c2=O ZINC000516768681 490877086 /nfs/dbraw/zinc/87/70/86/490877086.db2.gz QNPNQRCRBCUTJV-CYBMUJFWSA-N -1 3 369.425 0.680 10 0 FCAEHM Cc1ccc2c([O-])c(C(=O)N3CCC[C@@H](N4CCNCC4=O)C3)cnc2n1 ZINC000516768681 490877088 /nfs/dbraw/zinc/87/70/88/490877088.db2.gz QNPNQRCRBCUTJV-CYBMUJFWSA-N -1 3 369.425 0.680 10 0 FCAEHM CN(C)C(=O)C1CCN(C(=O)C[N-]S(=O)(=O)c2cccs2)CC1 ZINC000516842652 490880205 /nfs/dbraw/zinc/88/02/05/490880205.db2.gz OVKLVBYCBNQCNJ-UHFFFAOYSA-N -1 3 359.473 0.353 10 0 FCAEHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000529985659 490885331 /nfs/dbraw/zinc/88/53/31/490885331.db2.gz MESDOAYJTBAYSR-FBSDJGSXSA-N -1 3 360.208 0.640 10 0 FCAEHM Cc1cc(NC(=O)CN2CC(=O)[N-]C2=O)ccc1-n1nnnc1C(C)C ZINC000542443864 490896932 /nfs/dbraw/zinc/89/69/32/490896932.db2.gz RZKHYMWOEGTEKB-UHFFFAOYSA-N -1 3 357.374 0.584 10 0 FCAEHM C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000518183832 490932367 /nfs/dbraw/zinc/93/23/67/490932367.db2.gz NDHSVKGOCGIEJE-LLLHUVSDSA-N -1 3 373.453 0.899 10 0 FCAEHM C/C=C\c1ccc(OCC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)c(OC)c1 ZINC000531143902 490943123 /nfs/dbraw/zinc/94/31/23/490943123.db2.gz CJTDZMZHOGXWQI-SCOBNMCVSA-N -1 3 359.382 0.870 10 0 FCAEHM CC(C)(C)OC(=O)CCN(C(=O)CN1CC(=O)[N-]C1=O)C1CCOCC1 ZINC000518775135 490951039 /nfs/dbraw/zinc/95/10/39/490951039.db2.gz LKYWLKVAJFSUOR-UHFFFAOYSA-N -1 3 369.418 0.278 10 0 FCAEHM COCCNC(=O)c1ccc(NC(=O)CN2CC(=O)[N-]C2=O)cc1Cl ZINC000518891163 490954730 /nfs/dbraw/zinc/95/47/30/490954730.db2.gz NAUGHMNUNOIRRA-UHFFFAOYSA-N -1 3 368.777 0.207 10 0 FCAEHM COC(=O)[C@@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1ccc2ccccc2c1 ZINC000544028706 490955434 /nfs/dbraw/zinc/95/54/34/490955434.db2.gz MXCRPUDUWHNFGP-ZFWWWQNUSA-N -1 3 355.350 0.768 10 0 FCAEHM NC(=O)[C@@H]1CCC[C@@H](NC(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000531728335 490971570 /nfs/dbraw/zinc/97/15/70/490971570.db2.gz YCUOYFFFIDFPIF-VXGBXAGGSA-N -1 3 370.409 0.418 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)NCC[C@@H](C)O)cc1OC ZINC000531763096 490972792 /nfs/dbraw/zinc/97/27/92/490972792.db2.gz LYMDFFXZUIBFQI-SNVBAGLBSA-N -1 3 373.431 0.282 10 0 FCAEHM COCC[C@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)C(=O)OC ZINC000519483027 490973046 /nfs/dbraw/zinc/97/30/46/490973046.db2.gz KALYCZSAZKPWII-VIFPVBQESA-N -1 3 356.322 0.957 10 0 FCAEHM C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000531767753 490973325 /nfs/dbraw/zinc/97/33/25/490973325.db2.gz HEVGYQWVHFDZTJ-LBPRGKRZSA-N -1 3 366.443 0.494 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)Nc1ccccc1N(C)C(C)=O ZINC000532078301 490985591 /nfs/dbraw/zinc/98/55/91/490985591.db2.gz SWOUVDLGSPDVPC-UHFFFAOYSA-N -1 3 357.432 0.564 10 0 FCAEHM NC(=O)[C@H]1CCC[C@@H](NC(=O)CC[N-]S(=O)(=O)c2cccs2)C1 ZINC000532525183 490993614 /nfs/dbraw/zinc/99/36/14/490993614.db2.gz HYHHWTBVFPXZEB-WDEREUQCSA-N -1 3 359.473 0.577 10 0 FCAEHM COc1cc(NC(=O)Nc2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)nn1C ZINC000569657546 491178606 /nfs/dbraw/zinc/17/86/06/491178606.db2.gz CEFWSLDINJUPCB-NSHDSACASA-N -1 3 358.358 0.823 10 0 FCAEHM COC(=O)c1nc[n-]c1NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000565311325 491369117 /nfs/dbraw/zinc/36/91/17/491369117.db2.gz CEOLNPLYBLTAKD-UHFFFAOYSA-N -1 3 363.374 0.636 10 0 FCAEHM COC(=O)c1[n-]cnc1NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000565311325 491369120 /nfs/dbraw/zinc/36/91/20/491369120.db2.gz CEOLNPLYBLTAKD-UHFFFAOYSA-N -1 3 363.374 0.636 10 0 FCAEHM COC(=O)c1nscc1S(=O)(=O)[N-]C[C@H](CO)c1cccnc1 ZINC000557864202 491402088 /nfs/dbraw/zinc/40/20/88/491402088.db2.gz PYXOGRMCWMURTM-SNVBAGLBSA-N -1 3 357.413 0.379 10 0 FCAEHM CCOC(=O)c1cc(NC(=O)c2ccc(CN3CCOCC3)cn2)n[n-]1 ZINC000565865211 491403953 /nfs/dbraw/zinc/40/39/53/491403953.db2.gz JGVDAZNSUPBOFE-UHFFFAOYSA-N -1 3 359.386 1.066 10 0 FCAEHM CCOC(=O)c1cc(NC(=O)c2ccc(CN3CCOCC3)cn2)[n-]n1 ZINC000565865211 491403956 /nfs/dbraw/zinc/40/39/56/491403956.db2.gz JGVDAZNSUPBOFE-UHFFFAOYSA-N -1 3 359.386 1.066 10 0 FCAEHM O=S(=O)([N-]CCCNS(=O)(=O)c1cscn1)c1cscn1 ZINC000566162627 491421503 /nfs/dbraw/zinc/42/15/03/491421503.db2.gz WXKYPOXFRPINSD-UHFFFAOYSA-N -1 3 368.487 0.247 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]c1ccc([C@@]2(C)NC(=O)NC2=O)cc1)C1CC1 ZINC000566211680 491426417 /nfs/dbraw/zinc/42/64/17/491426417.db2.gz PUDJDWCVNVLMIE-XJKSGUPXSA-N -1 3 367.427 0.908 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)NC[C@@H](CO)c1cccnc1 ZINC000558574948 491436905 /nfs/dbraw/zinc/43/69/05/491436905.db2.gz OAHIDMLMFZBMOO-ZDUSSCGKSA-N -1 3 367.402 0.391 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(-n2c(=O)[nH][nH]c2=O)cc1)C1CC1 ZINC000566471998 491446277 /nfs/dbraw/zinc/44/62/77/491446277.db2.gz WFCFHALPKOCNAX-LBPRGKRZSA-N -1 3 354.388 0.845 10 0 FCAEHM CCN(CC)CCS(=O)(=O)[N-][C@@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000573963617 491465933 /nfs/dbraw/zinc/46/59/33/491465933.db2.gz AQIHISJZUNRZDA-LLVKDONJSA-N -1 3 371.467 0.813 10 0 FCAEHM C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)C[N-]S(=O)(=O)c1ccccc1F ZINC000567087850 491484865 /nfs/dbraw/zinc/48/48/65/491484865.db2.gz KCKRAZDAHRCXCQ-WDEREUQCSA-N -1 3 357.407 0.216 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)NC[C@H]2CC23CCSCC3)c1 ZINC000567621434 491518655 /nfs/dbraw/zinc/51/86/55/491518655.db2.gz KBXFHUGBJUQYOZ-LLVKDONJSA-N -1 3 358.489 0.348 10 0 FCAEHM O=C(CN1CC(=O)NC1=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC000560490497 491542034 /nfs/dbraw/zinc/54/20/34/491542034.db2.gz USACSGVDVPUGTN-UHFFFAOYSA-N -1 3 353.382 0.435 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC000560490497 491542036 /nfs/dbraw/zinc/54/20/36/491542036.db2.gz USACSGVDVPUGTN-UHFFFAOYSA-N -1 3 353.382 0.435 10 0 FCAEHM CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)CN2CC(=O)[N-]C2=O)cc1 ZINC000560842633 491560113 /nfs/dbraw/zinc/56/01/13/491560113.db2.gz PBKDPWKPMBPLTO-SNVBAGLBSA-N -1 3 353.400 0.209 10 0 FCAEHM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1C[C@@H](C)N(CCO)C[C@@H]1C ZINC000568227578 491561417 /nfs/dbraw/zinc/56/14/17/491561417.db2.gz NALXVBZVGVMESW-NEPJUHHUSA-N -1 3 361.446 0.508 10 0 FCAEHM Cc1ccnc([C@H]2CCN(C(=O)C[N-]S(=O)(=O)c3cn(C)cn3)C2)c1 ZINC000568294096 491568098 /nfs/dbraw/zinc/56/80/98/491568098.db2.gz ZLIBYVCASQSJOB-ZDUSSCGKSA-N -1 3 363.443 0.418 10 0 FCAEHM CC(=O)Nc1ncc(S(=O)(=O)[N-]C[C@H](CO)c2cccnc2)s1 ZINC000584428264 491591077 /nfs/dbraw/zinc/59/10/77/491591077.db2.gz OIARDQAUBPPEJO-LLVKDONJSA-N -1 3 356.429 0.551 10 0 FCAEHM C[C@H]1CCCc2nc(S(=O)(=O)[N-]CC3(CS(C)(=O)=O)CC3)cn21 ZINC000584458463 491593503 /nfs/dbraw/zinc/59/35/03/491593503.db2.gz WPOMIYILBIAPNV-NSHDSACASA-N -1 3 361.489 0.884 10 0 FCAEHM Cc1nn2cc(S(=O)(=O)[N-][C@H]3CNCCC3(F)F)cnc2c1Cl ZINC000568628328 491594211 /nfs/dbraw/zinc/59/42/11/491594211.db2.gz PREOHYAMMQDLJW-VIFPVBQESA-N -1 3 365.793 0.967 10 0 FCAEHM C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000568629440 491594645 /nfs/dbraw/zinc/59/46/45/491594645.db2.gz FVRNPIREAWGHJE-XYPHTWIQSA-N -1 3 373.453 0.912 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)C(=O)c2cnn(-c3ccccc3)c2)nc1=N ZINC000568634320 491595584 /nfs/dbraw/zinc/59/55/84/491595584.db2.gz IIZNOYZMRDVSEY-AWEZNQCLSA-N -1 3 365.397 0.960 10 0 FCAEHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cnn3c2OCCC3)[C@@H]1n1cccn1 ZINC000577366405 491615971 /nfs/dbraw/zinc/61/59/71/491615971.db2.gz GCZBZYCIUCPPBC-BZPMIXESSA-N -1 3 367.431 0.559 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)n[n-]1 ZINC000568956719 491622102 /nfs/dbraw/zinc/62/21/02/491622102.db2.gz KPQCBFIXLWBUHH-PHIMTYICSA-N -1 3 354.370 0.700 10 0 FCAEHM Cn1ccnc1-c1cc(NC(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)[n-]n1 ZINC000568956719 491622104 /nfs/dbraw/zinc/62/21/04/491622104.db2.gz KPQCBFIXLWBUHH-PHIMTYICSA-N -1 3 354.370 0.700 10 0 FCAEHM CC[C@@H](CS(=O)(=O)[N-]C[C@@H]1CS(=O)(=O)c2ccccc2O1)OC ZINC000569099733 491633533 /nfs/dbraw/zinc/63/35/33/491633533.db2.gz OEUJFJZJMJWSON-NWDGAFQWSA-N -1 3 363.457 0.566 10 0 FCAEHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC000576719452 491639331 /nfs/dbraw/zinc/63/93/31/491639331.db2.gz XXUJURYRFMXOEP-NEPJUHHUSA-N -1 3 367.514 0.834 10 0 FCAEHM Cc1cc(CCNC(=O)NCC[N-]S(=O)(=O)c2cccs2)on1 ZINC000561952978 491641862 /nfs/dbraw/zinc/64/18/62/491641862.db2.gz YWECLFXYMOKAAK-UHFFFAOYSA-N -1 3 358.445 0.865 10 0 FCAEHM Cn1c(=O)[n-]c(=O)c2c(C(=O)NC[C@@H](O)C(F)F)cc(C3CC3)nc21 ZINC000562306444 491665312 /nfs/dbraw/zinc/66/53/12/491665312.db2.gz OLGPYMQIYYNEFO-SECBINFHSA-N -1 3 354.313 0.267 10 0 FCAEHM Cn1nc(-c2ccsc2)cc1NC(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000562335702 491666385 /nfs/dbraw/zinc/66/63/85/491666385.db2.gz CTMNAFMELKHGIH-LLVKDONJSA-N -1 3 360.399 0.917 10 0 FCAEHM Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)[nH]n1 ZINC000578670309 491682245 /nfs/dbraw/zinc/68/22/45/491682245.db2.gz RTPVQPBECDMTIG-CYBMUJFWSA-N -1 3 369.433 0.945 10 0 FCAEHM CN(CC(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O)c1nc2ccccc2s1 ZINC000579314412 491695187 /nfs/dbraw/zinc/69/51/87/491695187.db2.gz LETUGMAPTZUGBX-QGZVFWFLSA-N -1 3 373.438 0.933 10 0 FCAEHM COc1cc(CC(=O)N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)cc(OC)c1O ZINC000579527230 491699768 /nfs/dbraw/zinc/69/97/68/491699768.db2.gz KQBULHUFQADMGR-LLVKDONJSA-N -1 3 361.402 0.857 10 0 FCAEHM CCc1n[nH]c([N-]S(=O)(=O)c2cccc(S(=O)(=O)N(C)CC)c2)n1 ZINC000580095726 491717407 /nfs/dbraw/zinc/71/74/07/491717407.db2.gz FJICLBZBXDOKFW-UHFFFAOYSA-N -1 3 373.460 0.808 10 0 FCAEHM COC(=O)[C@@H](CO)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000585738820 491724961 /nfs/dbraw/zinc/72/49/61/491724961.db2.gz QWEQLXZNBAUCNZ-SSDOTTSWSA-N -1 3 372.624 0.915 10 0 FCAEHM O=S(=O)([N-]C[C@@H]1CS(=O)(=O)c2ccccc2O1)c1cscn1 ZINC000580547463 491735728 /nfs/dbraw/zinc/73/57/28/491735728.db2.gz BULVWEIWUAQSOZ-SECBINFHSA-N -1 3 360.438 0.656 10 0 FCAEHM COC(=O)[C@@H](CF)[N-]S(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1 ZINC000588142354 491741119 /nfs/dbraw/zinc/74/11/19/491741119.db2.gz RWWRXHMUNALXLN-IONNQARKSA-N -1 3 352.409 0.735 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCOC[C@@H]2CC2CCC2)c1 ZINC000581332737 491769147 /nfs/dbraw/zinc/76/91/47/491769147.db2.gz YEMNHGICMCZAOL-ZDUSSCGKSA-N -1 3 356.448 0.116 10 0 FCAEHM Cc1cc(CS(=O)(=O)[N-]C[C@@H]2CS(=O)(=O)c3ccccc3O2)on1 ZINC000582060070 491795998 /nfs/dbraw/zinc/79/59/98/491795998.db2.gz SATRGTYSWKJHKA-GFCCVEGCSA-N -1 3 372.424 0.637 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)NCC2(C(F)(F)F)CC2)cn1C ZINC000582292748 491805822 /nfs/dbraw/zinc/80/58/22/491805822.db2.gz LAHMMDBOCAPKIG-UHFFFAOYSA-N -1 3 354.354 0.466 10 0 FCAEHM CSC[C@](C)(O)C[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000592034559 491828326 /nfs/dbraw/zinc/82/83/26/491828326.db2.gz PEUXVOFGNWWUQA-CYBMUJFWSA-N -1 3 350.462 0.682 10 0 FCAEHM CC[C@H]1C[C@H](NS(=O)(=O)c2cnc3c(c2)c(=O)[n-]c(=O)n3C)CCO1 ZINC000582838862 491828855 /nfs/dbraw/zinc/82/88/55/491828855.db2.gz UERNAYXRZLVCQU-ZJUUUORDSA-N -1 3 368.415 0.270 10 0 FCAEHM CCOC(=O)COCC[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000592055990 491829953 /nfs/dbraw/zinc/82/99/53/491829953.db2.gz XVZNBBJLFGGQLF-UHFFFAOYSA-N -1 3 362.404 0.148 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C(=O)OC)c2ccnn2C)s1 ZINC000592090244 491831606 /nfs/dbraw/zinc/83/16/06/491831606.db2.gz FUOHVTDJOVYHRF-NSHDSACASA-N -1 3 373.412 0.461 10 0 FCAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N1CN(C)C(=O)[C@H]1C ZINC000592318281 491836152 /nfs/dbraw/zinc/83/61/52/491836152.db2.gz XORZPVAMOJZKOQ-SECBINFHSA-N -1 3 353.400 0.818 10 0 FCAEHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CC(=O)Nc1ccn(C)n1 ZINC000583225405 491840605 /nfs/dbraw/zinc/84/06/05/491840605.db2.gz BDJDDCFTTNZWJH-UHFFFAOYSA-N -1 3 366.374 1.531 10 0 FCAEHM Cc1cc(F)c(S(=O)(=O)[N-]CCCN2CCCS2(=O)=O)cc1F ZINC000675610022 493494397 /nfs/dbraw/zinc/49/43/97/493494397.db2.gz BYXKFCLBPOCVRF-UHFFFAOYSA-N -1 3 368.427 0.977 10 0 FCAEHM COC(=O)[C@@](C)(CCF)[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000594862572 491867753 /nfs/dbraw/zinc/86/77/53/491867753.db2.gz MTUVCSOOMLKGJN-CYBMUJFWSA-N -1 3 367.420 0.660 10 0 FCAEHM COC(=O)[C@@](C)(CCF)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000594867764 491868650 /nfs/dbraw/zinc/86/86/50/491868650.db2.gz ZZUSJFWWIRRBDP-GFCCVEGCSA-N -1 3 368.408 0.055 10 0 FCAEHM CNC(=O)[C@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000600762570 491880678 /nfs/dbraw/zinc/88/06/78/491880678.db2.gz IAHADNDBHZPIMJ-GFCCVEGCSA-N -1 3 357.407 0.149 10 0 FCAEHM COC(=O)[C@]1(OC)CCN(C(=O)c2c[n-]c3cc(OC)ccc3c2=O)C1 ZINC000600839582 491886369 /nfs/dbraw/zinc/88/63/69/491886369.db2.gz ZOYZKWWGDXLWAB-SFHVURJKSA-N -1 3 360.366 0.941 10 0 FCAEHM COC(=O)C[C@H]([N-]S(=O)(=O)C[C@H]1CN(C)CCO1)c1cccs1 ZINC000601298703 491902794 /nfs/dbraw/zinc/90/27/94/491902794.db2.gz RMUYMTWBIQXIGC-NEPJUHHUSA-N -1 3 362.473 0.602 10 0 FCAEHM CCOC(=O)[C@H]([N-]S(=O)(=O)C[C@H]1CNCCO1)C1CCCCCC1 ZINC000601344508 491906716 /nfs/dbraw/zinc/90/67/16/491906716.db2.gz ZXTHSIONKXKRKR-HUUCEWRRSA-N -1 3 362.492 0.796 10 0 FCAEHM COC(=O)C[C@@](C)([N-]S(=O)(=O)C[C@H]1CN(C)CCO1)c1ccccn1 ZINC000601395295 491912720 /nfs/dbraw/zinc/91/27/20/491912720.db2.gz BIPPNNNHWBPRQN-CZUORRHYSA-N -1 3 371.459 0.110 10 0 FCAEHM CC(C)(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C1COCCOC1 ZINC000601419268 491916877 /nfs/dbraw/zinc/91/68/77/491916877.db2.gz HEUAFFJCHQTUJE-LBPRGKRZSA-N -1 3 350.437 0.042 10 0 FCAEHM CCS(=O)(=O)C1(C[N-]S(=O)(=O)CC2(C(=O)OC)CCC2)CC1 ZINC000595363885 491924109 /nfs/dbraw/zinc/92/41/09/491924109.db2.gz KZODIQIYKIHRCC-UHFFFAOYSA-N -1 3 353.462 0.216 10 0 FCAEHM CCS(=O)(=O)C1(C[N-]S(=O)(=O)[C@@H]2CCCC[C@@H]2C(=O)OC)CC1 ZINC000595363588 491924287 /nfs/dbraw/zinc/92/42/87/491924287.db2.gz HFBYQBANQJJNJW-NWDGAFQWSA-N -1 3 367.489 0.605 10 0 FCAEHM CCS(=O)(=O)C1(C[N-]S(=O)(=O)CC2(C(=O)OC)CCCC2)CC1 ZINC000595365820 491924575 /nfs/dbraw/zinc/92/45/75/491924575.db2.gz YRXWKDLNFHTBMN-UHFFFAOYSA-N -1 3 367.489 0.607 10 0 FCAEHM CC(C)(C)OC(=O)CN1CC[C@@H](N2CCC[C@H](c3n[n-]c(=O)o3)C2)C1=O ZINC000595475264 491935546 /nfs/dbraw/zinc/93/55/46/491935546.db2.gz NXBMDAUJUYINAC-NWDGAFQWSA-N -1 3 366.418 0.897 10 0 FCAEHM C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000595886123 491959392 /nfs/dbraw/zinc/95/93/92/491959392.db2.gz VNOUAMDKAXCCJX-PFHKOEEOSA-N -1 3 353.419 0.424 10 0 FCAEHM CN(C(=O)CC[C@@H]1NC(=O)[N-]C1=O)[C@H]1CCN(c2ccccc2F)C1=O ZINC000602213873 491968619 /nfs/dbraw/zinc/96/86/19/491968619.db2.gz XCVQIDXPLJSFFL-AAEUAGOBSA-N -1 3 362.361 0.378 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(C(=O)NCCCCN2CCOCC2)cc1 ZINC000613921391 492004248 /nfs/dbraw/zinc/00/42/48/492004248.db2.gz OATDCUPNNALWJC-UHFFFAOYSA-N -1 3 355.460 0.900 10 0 FCAEHM Cn1[n-]c([C@H]2CCCN2C(=O)c2cccc(Cn3ccnn3)c2)nc1=N ZINC000614427720 492029453 /nfs/dbraw/zinc/02/94/53/492029453.db2.gz SMUHSKFCOMFQEB-CQSZACIVSA-N -1 3 352.402 0.845 10 0 FCAEHM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC[C@H]1CN2CCN1CCC2 ZINC000614508769 492035216 /nfs/dbraw/zinc/03/52/16/492035216.db2.gz YEUKDCUZOSBPCH-AWEZNQCLSA-N -1 3 358.446 0.100 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)[C@H]1[C@@H]2COC[C@@H]21 ZINC000614530574 492037662 /nfs/dbraw/zinc/03/76/62/492037662.db2.gz DDKZMQHUZLCBNP-IWIIMEHWSA-N -1 3 362.810 0.766 10 0 FCAEHM CCn1cnnc1[N-]C(=O)c1nc2cc(OC)c(OC)cc2n(C)c1=O ZINC000614582567 492040242 /nfs/dbraw/zinc/04/02/42/492040242.db2.gz OTVAPXXNBXMKAZ-UHFFFAOYSA-N -1 3 358.358 0.814 10 0 FCAEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000603872058 492044136 /nfs/dbraw/zinc/04/41/36/492044136.db2.gz ITUXRBCWLIHAMM-JTQLQIEISA-N -1 3 364.427 0.858 10 0 FCAEHM COC(=O)c1cc(Cl)cc(NC(=O)[C@H]2CCN=C3C2=NNN3C)c1[O-] ZINC000597650254 492056199 /nfs/dbraw/zinc/05/61/99/492056199.db2.gz VSVAKIAALLYFBK-QMMMGPOBSA-N -1 3 365.777 0.995 10 0 FCAEHM CCOC(=O)[C@H](CC(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)C(C)=O ZINC000597670638 492057853 /nfs/dbraw/zinc/05/78/53/492057853.db2.gz BACZZCJOJPKCPT-SNVBAGLBSA-N -1 3 363.370 0.680 10 0 FCAEHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)[C@@H](O)Cc1cnn(C)c1 ZINC000614827722 492058181 /nfs/dbraw/zinc/05/81/81/492058181.db2.gz RVCOEIYVTGSSMX-SUNKGSAMSA-N -1 3 361.402 0.204 10 0 FCAEHM C[C@H](NC(=O)[C@@H](O)Cc1cnn(C)c1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614827721 492058306 /nfs/dbraw/zinc/05/83/06/492058306.db2.gz RVCOEIYVTGSSMX-MJVIPROJSA-N -1 3 361.402 0.204 10 0 FCAEHM COC(=O)[C@@](C)(NC(=O)CC[C@@H]1NC(=O)[N-]C1=O)c1ccc(F)cc1 ZINC000597688148 492059619 /nfs/dbraw/zinc/05/96/19/492059619.db2.gz TZNRGJMPPGPNIV-ZBEGNZNMSA-N -1 3 351.334 0.318 10 0 FCAEHM O=S1(=O)[N-]C(CN2CCN([C@@H]3CCC[C@@H]3O)CC2)=Nc2ccccc21 ZINC000604386521 492059659 /nfs/dbraw/zinc/05/96/59/492059659.db2.gz RWMUBVFVIKLYHP-CABCVRRESA-N -1 3 364.471 0.540 10 0 FCAEHM O=C(CN1CC[C@@H](c2ccccc2)NC1=O)NCCCc1cc(=O)[nH][n-]1 ZINC000614922790 492064326 /nfs/dbraw/zinc/06/43/26/492064326.db2.gz PWNIQQOMQBYTPK-HNNXBMFYSA-N -1 3 357.414 0.915 10 0 FCAEHM COc1ccc([C@H]2[C@@H](C(=O)NCCCc3cc(=O)[nH][n-]3)CC(=O)N2C)cc1 ZINC000614920891 492064358 /nfs/dbraw/zinc/06/43/58/492064358.db2.gz IHIKZJILVBSIFD-YJBOKZPZSA-N -1 3 372.425 0.987 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N(CC(=O)OC)C2CCCCC2)cn1 ZINC000598004219 492077869 /nfs/dbraw/zinc/07/78/69/492077869.db2.gz QHOJGFRFSAEANO-UHFFFAOYSA-N -1 3 369.443 0.938 10 0 FCAEHM Cc1cc(CS(=O)(=O)[N-]CC2(NS(C)(=O)=O)CCCCC2)no1 ZINC000605002459 492080103 /nfs/dbraw/zinc/08/01/03/492080103.db2.gz YSNQWQMZYLDWQL-UHFFFAOYSA-N -1 3 365.477 0.655 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H](CC(=O)OC)C2CC2)cn1 ZINC000598268293 492091866 /nfs/dbraw/zinc/09/18/66/492091866.db2.gz AHEJPSGOTTYNSC-LBPRGKRZSA-N -1 3 355.416 0.309 10 0 FCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CSC[C@@H]1C(=O)Nc1ccc(F)cc1 ZINC000605509879 492096830 /nfs/dbraw/zinc/09/68/30/492096830.db2.gz FHFBLAWNYLMKOI-LLVKDONJSA-N -1 3 366.374 0.218 10 0 FCAEHM CCOC(=O)C12CC(C1)CN2C(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000598450546 492098864 /nfs/dbraw/zinc/09/88/64/492098864.db2.gz YGMHFXYODSWYQK-UHFFFAOYSA-N -1 3 372.468 0.971 10 0 FCAEHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]CCC1CS(=O)(=O)C1 ZINC000615747020 492101181 /nfs/dbraw/zinc/10/11/81/492101181.db2.gz AUDNRXWDBITOFM-UHFFFAOYSA-N -1 3 365.404 0.325 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)CCN2C(=O)COc3ccccc32)[n-]1 ZINC000615917507 492106912 /nfs/dbraw/zinc/10/69/12/492106912.db2.gz NKGJOEPNTSPPIT-UHFFFAOYSA-N -1 3 373.369 0.413 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)c2cc(OC)c(OC)c(OC)c2)[n-]1 ZINC000615918878 492107304 /nfs/dbraw/zinc/10/73/04/492107304.db2.gz BNZPDXQAKCMURZ-UHFFFAOYSA-N -1 3 364.358 0.937 10 0 FCAEHM C[C@H]1CCCN(Cc2cc(=O)n3nc(N)[n-]c3n2)[C@@H]1C(=O)OC(C)(C)C ZINC000598623642 492109640 /nfs/dbraw/zinc/10/96/40/492109640.db2.gz ZSBYSUXQJQUICP-GWCFXTLKSA-N -1 3 362.434 0.772 10 0 FCAEHM CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)c1c[n-]n2c1nccc2=O ZINC000598683114 492113829 /nfs/dbraw/zinc/11/38/29/492113829.db2.gz IRBDPLPOQQOCET-UHFFFAOYSA-N -1 3 363.418 0.368 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)[C@@H]2CSCN2C(=O)[C@@H](C)CC)[n-]1 ZINC000616030164 492115011 /nfs/dbraw/zinc/11/50/11/492115011.db2.gz VXHWWWQNELPDSA-UWVGGRQHSA-N -1 3 369.447 0.545 10 0 FCAEHM COC(=O)C(C)(C)n1ccc(NC(=O)CNC(=O)c2ccc([O-])cc2)n1 ZINC000598773277 492117379 /nfs/dbraw/zinc/11/73/79/492117379.db2.gz NWXKUFPWLOPZOG-UHFFFAOYSA-N -1 3 360.370 0.865 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1cccs1)Nc1cnn(-c2ncccn2)c1 ZINC000606423185 492121932 /nfs/dbraw/zinc/12/19/32/492121932.db2.gz FXAJTFVTMMLFKV-UHFFFAOYSA-N -1 3 364.412 0.641 10 0 FCAEHM CS(=O)(=O)CCCS(=O)(=O)[N-][C@@H]1CCN(c2ccccc2)C1=O ZINC000607159352 492139928 /nfs/dbraw/zinc/13/99/28/492139928.db2.gz RXOOKPNKCHWPQD-CYBMUJFWSA-N -1 3 360.457 0.146 10 0 FCAEHM C[C@@](CO)(NC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1ccc(Br)cc1 ZINC000616832829 492145081 /nfs/dbraw/zinc/14/50/81/492145081.db2.gz WNLWQQQYDJSFCC-HZMBPMFUSA-N -1 3 370.203 0.371 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]CCOC[C@@H]2CCOC2)on1 ZINC000599229737 492146214 /nfs/dbraw/zinc/14/62/14/492146214.db2.gz YGEYUGARRSIXNW-LLVKDONJSA-N -1 3 362.404 0.324 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H](CCO)CSC)on1 ZINC000599243296 492147996 /nfs/dbraw/zinc/14/79/96/492147996.db2.gz IXMIYPPCXLOWML-VIFPVBQESA-N -1 3 352.434 0.385 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-][C@](C)(COC)CC(=O)OC)CCOCC1 ZINC000599251130 492148918 /nfs/dbraw/zinc/14/89/18/492148918.db2.gz GILBYCUCYFAPFP-AWEZNQCLSA-N -1 3 367.464 0.460 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H](C)CO[C@H]2CCOC2)on1 ZINC000599255381 492149752 /nfs/dbraw/zinc/14/97/52/492149752.db2.gz AEFNXILJGQQDBE-QWRGUYRKSA-N -1 3 362.404 0.465 10 0 FCAEHM CCn1c(=O)[n-]c(=O)c2c(C(=O)N[C@H]3CCNC3=O)cc(C(C)C)nc21 ZINC000616968237 492150638 /nfs/dbraw/zinc/15/06/38/492150638.db2.gz TZZBYWIYUFSMDU-JTQLQIEISA-N -1 3 359.386 0.259 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)N[C@H]1CCNC1=O ZINC000616970530 492150662 /nfs/dbraw/zinc/15/06/62/492150662.db2.gz AMDHGXHOLJJNJR-JTQLQIEISA-N -1 3 366.226 0.276 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H]2CCC[C@@H]2C(=O)NC)on1 ZINC000599269074 492152151 /nfs/dbraw/zinc/15/21/51/492152151.db2.gz MTNCYYPAKRJOPN-WDEREUQCSA-N -1 3 359.404 0.185 10 0 FCAEHM CCO[C@H](CS(=O)(=O)[N-]C[C@@](C)(O)C(=O)OC(C)(C)C)C1CC1 ZINC000599282294 492154382 /nfs/dbraw/zinc/15/43/82/492154382.db2.gz ZNRXDFHAJSRQEB-IUODEOHRSA-N -1 3 351.465 0.814 10 0 FCAEHM CO[C@@H](CNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F)[C@H]1CCOC1 ZINC000617137471 492156519 /nfs/dbraw/zinc/15/65/19/492156519.db2.gz FFRHCDNGSOVQPX-OBJOEFQTSA-N -1 3 374.434 0.660 10 0 FCAEHM CO[C@H](CNC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)[C@@H]1CCOC1 ZINC000617138835 492156535 /nfs/dbraw/zinc/15/65/35/492156535.db2.gz WYCHOUBAIBBRQI-DFHBCGBQSA-N -1 3 361.398 0.523 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-][C@@H](CCSC)C(=O)NC)CCOCC1 ZINC000599313733 492159146 /nfs/dbraw/zinc/15/91/46/492159146.db2.gz AFJOTFRAVMEXIO-LBPRGKRZSA-N -1 3 368.521 0.359 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]C[C@H]2CCOC[C@H]2OC)on1 ZINC000599317330 492159586 /nfs/dbraw/zinc/15/95/86/492159586.db2.gz UUDFKNMZXJOWPX-ZWNOBZJWSA-N -1 3 362.404 0.322 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@@H]2CCN(CC(F)F)C2)on1 ZINC000599325450 492160451 /nfs/dbraw/zinc/16/04/51/492160451.db2.gz DUOGEYDTZCBGQQ-SECBINFHSA-N -1 3 367.374 0.610 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@H](CO)[C@@H]2CCCOC2)on1 ZINC000599328345 492160988 /nfs/dbraw/zinc/16/09/88/492160988.db2.gz XSCGDLORJWNSTL-ZWNOBZJWSA-N -1 3 362.404 0.058 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-][C@H](CO)[C@H]2CCCOC2)on1 ZINC000599328342 492161009 /nfs/dbraw/zinc/16/10/09/492161009.db2.gz XSCGDLORJWNSTL-GXFFZTMASA-N -1 3 362.404 0.058 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]Cc2ccc(CO)cc2)on1 ZINC000599333928 492161506 /nfs/dbraw/zinc/16/15/06/492161506.db2.gz BXTWBDRITNUGPY-UHFFFAOYSA-N -1 3 354.384 0.963 10 0 FCAEHM C[C@@]1(c2ccc(C(=O)N3CC[C@H](Cn4ccnn4)C3)cc2)NC(=O)[N-]C1=O ZINC000617260541 492161715 /nfs/dbraw/zinc/16/17/15/492161715.db2.gz WXZKVUKMDUGNFU-SGTLLEGYSA-N -1 3 368.397 0.495 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC[C@H](Cn2ccnn2)C1 ZINC000617265003 492162028 /nfs/dbraw/zinc/16/20/28/492162028.db2.gz UKXMYYCVLIATHR-NEPJUHHUSA-N -1 3 369.472 0.555 10 0 FCAEHM CCOC(=O)c1cc(CS(=O)(=O)[N-]C[C@H](OC)[C@@H]2CCOC2)on1 ZINC000599338473 492162209 /nfs/dbraw/zinc/16/22/09/492162209.db2.gz SATAOHYLNWVQJM-MFKMUULPSA-N -1 3 362.404 0.322 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)N1CC[C@H](Cn2ccnn2)C1 ZINC000617266891 492162405 /nfs/dbraw/zinc/16/24/05/492162405.db2.gz BBDQXAXKRWCMGH-LBPRGKRZSA-N -1 3 367.406 0.244 10 0 FCAEHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](O)[C@@H]1CCCO1 ZINC000599392353 492167363 /nfs/dbraw/zinc/16/73/63/492167363.db2.gz RKFCYTGRZFJCGO-RYUDHWBXSA-N -1 3 363.819 0.945 10 0 FCAEHM COC[C@@H](C)CS(=O)(=O)[N-][C@@H](Cc1cccc(OC)c1)C(=O)OC ZINC000599404409 492169091 /nfs/dbraw/zinc/16/90/91/492169091.db2.gz VDRSKYQNORVDMS-DOMZBBRYSA-N -1 3 359.444 0.981 10 0 FCAEHM COC(=O)[C@@H](C[C@@H]1CCCOC1)[N-]S(=O)(=O)N1CCC(OC)CC1 ZINC000599455414 492175035 /nfs/dbraw/zinc/17/50/35/492175035.db2.gz CQAXRRGLXFGCDH-GXTWGEPZSA-N -1 3 364.464 0.290 10 0 FCAEHM COC(=O)[C@H](C[C@@H]1CCCOC1)[N-]S(=O)(=O)N1CCOC(C)(C)C1 ZINC000599456507 492175292 /nfs/dbraw/zinc/17/52/92/492175292.db2.gz MMECMACOLLNOCM-STQMWFEESA-N -1 3 364.464 0.290 10 0 FCAEHM CCOC[C@H](C)CS(=O)(=O)[N-][C@@H](C[C@@H]1CCCOC1)C(=O)OC ZINC000599456561 492175332 /nfs/dbraw/zinc/17/53/32/492175332.db2.gz NGUCNUZOHCMEJC-IHRRRGAJSA-N -1 3 351.465 0.937 10 0 FCAEHM COC(=O)[C@H](C[C@H]1CCCOC1)[N-]S(=O)(=O)N1CCOC(C)(C)C1 ZINC000599456505 492175356 /nfs/dbraw/zinc/17/53/56/492175356.db2.gz MMECMACOLLNOCM-OLZOCXBDSA-N -1 3 364.464 0.290 10 0 FCAEHM CCOC(=O)CCS(=O)(=O)[N-][C@H](C[C@H]1CCCOC1)C(=O)OC ZINC000599460698 492176097 /nfs/dbraw/zinc/17/60/97/492176097.db2.gz OYQOZEAJXBBUNR-VXGBXAGGSA-N -1 3 351.421 0.217 10 0 FCAEHM COC(=O)CCNC(=O)CC[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000599475744 492177793 /nfs/dbraw/zinc/17/77/93/492177793.db2.gz DEFZMGUWULXHJN-UHFFFAOYSA-N -1 3 366.798 0.827 10 0 FCAEHM COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)[N-][C@@H]1CCN(C2CCC2)C1=O ZINC000599523663 492183467 /nfs/dbraw/zinc/18/34/67/492183467.db2.gz CPOXSNLDJRRBQC-MGPQQGTHSA-N -1 3 358.460 0.791 10 0 FCAEHM CO[C@@]1(CO)CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000617801812 492192482 /nfs/dbraw/zinc/19/24/82/492192482.db2.gz WYLOGYYACALKMQ-BEFAXECRSA-N -1 3 362.426 0.997 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CC[C@@H](O)C(F)(F)C1 ZINC000617810163 492193144 /nfs/dbraw/zinc/19/31/44/492193144.db2.gz BPMKACAVHAIPKB-JOYOIKCWSA-N -1 3 366.361 0.721 10 0 FCAEHM Cc1ccc(C(=O)NCCC(=O)N[C@@H]2CC[C@@H](C)S(=O)(=O)C2)c([O-])c1 ZINC000618324433 492224318 /nfs/dbraw/zinc/22/43/18/492224318.db2.gz VPEZKOWSJQHALJ-CHWSQXEVSA-N -1 3 368.455 0.902 10 0 FCAEHM CCOC(=O)c1ccn(-c2ccccc2NC(=O)CN2CC(=O)[N-]C2=O)n1 ZINC000609881872 492225742 /nfs/dbraw/zinc/22/57/42/492225742.db2.gz SZEAWPGQRMRHHN-UHFFFAOYSA-N -1 3 371.353 0.539 10 0 FCAEHM COC(=O)c1ccsc1N1CC[C@@H]([N-]S(=O)(=O)N(C)C2CC2)C1=O ZINC000610471098 492247738 /nfs/dbraw/zinc/24/77/38/492247738.db2.gz VAKHBXOWCVQSTA-LLVKDONJSA-N -1 3 373.456 0.569 10 0 FCAEHM O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)N[C@@H]1C[C@H](O)C12CCC2 ZINC000619085133 492249667 /nfs/dbraw/zinc/24/96/67/492249667.db2.gz AZXZCHGLWSNWJA-CABCVRRESA-N -1 3 355.394 0.678 10 0 FCAEHM COC(=O)[C@@H]1CN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)C[C@@H](C)O1 ZINC000600377918 492265861 /nfs/dbraw/zinc/26/58/61/492265861.db2.gz SRHOILNWFMAXSH-MFKMUULPSA-N -1 3 356.400 0.461 10 0 FCAEHM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-][C@H]2CCCN(C)C2)c1 ZINC000611015678 492274857 /nfs/dbraw/zinc/27/48/57/492274857.db2.gz BRNOSAGYLZHLRM-LBPRGKRZSA-N -1 3 370.427 0.632 10 0 FCAEHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)N1CC[C@H]2COC[C@H]2C1 ZINC000620156463 492296836 /nfs/dbraw/zinc/29/68/36/492296836.db2.gz JXYFWVWDIJNBNX-QWHCGFSZSA-N -1 3 356.419 0.989 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(c3ccon3)CC2)cn1 ZINC000620225688 492299665 /nfs/dbraw/zinc/29/96/65/492299665.db2.gz DDGKBPRJNJKNIO-UHFFFAOYSA-N -1 3 350.400 0.998 10 0 FCAEHM C[C@@]1(c2cccc(C(=O)N3CCc4nccnc4C3)c2)NC(=O)[N-]C1=O ZINC000620421015 492308983 /nfs/dbraw/zinc/30/89/83/492308983.db2.gz WXOIXUCVHIPGHF-SFHVURJKSA-N -1 3 351.366 0.730 10 0 FCAEHM CO[C@H]1CN(C(=O)CC[N-]S(=O)(=O)c2cccs2)[C@@](C)(CO)C1 ZINC000634060526 492316836 /nfs/dbraw/zinc/31/68/36/492316836.db2.gz PFORZFRONMJNAV-BXUZGUMPSA-N -1 3 362.473 0.415 10 0 FCAEHM CO[C@H]1CN(C(=O)CC[N-]S(=O)(=O)c2ccccc2F)[C@](C)(CO)C1 ZINC000634061645 492317914 /nfs/dbraw/zinc/31/79/14/492317914.db2.gz RLMHLNRTEYCQGF-WBMJQRKESA-N -1 3 374.434 0.492 10 0 FCAEHM CN(C(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)[C@H]1CCCCN(C)C1=O ZINC000634139620 492321148 /nfs/dbraw/zinc/32/11/48/492321148.db2.gz DUDDMCBDKDXFSE-IFXJQAMLSA-N -1 3 372.425 0.824 10 0 FCAEHM CNC(=O)C1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000642251466 492345123 /nfs/dbraw/zinc/34/51/23/492345123.db2.gz BXMQYZUCZXWPMS-HNNXBMFYSA-N -1 3 359.426 0.981 10 0 FCAEHM C[C@@H](NC(=O)c1cc(C(N)=O)cn1C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000647705564 492347329 /nfs/dbraw/zinc/34/73/29/492347329.db2.gz ZZQNOSCJFKEEEX-VHSXEESVSA-N -1 3 359.386 0.618 10 0 FCAEHM O=C(CN1CCN(Cc2ccccc2)CC1)NCCCc1cc(=O)[nH][n-]1 ZINC000647718277 492351416 /nfs/dbraw/zinc/35/14/16/492351416.db2.gz HDQCMFSIEVLADU-UHFFFAOYSA-N -1 3 357.458 0.577 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)NCC(C)(C)CC(F)(F)F)c1 ZINC000621227396 492361655 /nfs/dbraw/zinc/36/16/55/492361655.db2.gz CNLBHESRGAXCKL-UHFFFAOYSA-N -1 3 356.370 0.793 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC(N3CCCOCC3)CC2)co1 ZINC000627740301 492371007 /nfs/dbraw/zinc/37/10/07/492371007.db2.gz JRGQVOBAHPKQTB-UHFFFAOYSA-N -1 3 371.459 0.515 10 0 FCAEHM O=C([N-]c1nccn1-c1ccccc1)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654907994 492375542 /nfs/dbraw/zinc/37/55/42/492375542.db2.gz IYZPNEOFZHGZDM-LSDHHAIUSA-N -1 3 355.398 0.088 10 0 FCAEHM NC(=O)c1cc(F)ccc1N1CCN(c2nc3nncc-3c(O)[n-]2)CC1 ZINC000621357263 492378683 /nfs/dbraw/zinc/37/86/83/492378683.db2.gz JODYRBGMYXZUFV-UHFFFAOYSA-N -1 3 357.349 0.623 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)N2CC3(C2)CCCO3)ccc1F ZINC000627834625 492397200 /nfs/dbraw/zinc/39/72/00/492397200.db2.gz ZCHPHVGZLYYPKS-UHFFFAOYSA-N -1 3 371.390 0.064 10 0 FCAEHM CO[C@@H]1CC[C@@H](C(=O)NCC(=O)Nc2cccc3c(=O)[nH][n-]c(=O)c23)C1 ZINC000621730287 492406806 /nfs/dbraw/zinc/40/68/06/492406806.db2.gz HICSZMIYJYNUIE-NXEZZACHSA-N -1 3 360.370 0.911 10 0 FCAEHM CO[C@@H]1CC[C@@H](C(=O)NCC(=O)Nc2cccc3c(=O)[n-][nH]c(=O)c23)C1 ZINC000621730287 492406809 /nfs/dbraw/zinc/40/68/09/492406809.db2.gz HICSZMIYJYNUIE-NXEZZACHSA-N -1 3 360.370 0.911 10 0 FCAEHM CCn1nnc(C)c1CNC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000627872191 492409179 /nfs/dbraw/zinc/40/91/79/492409179.db2.gz VPAYWKZTHGQQLG-KRWDZBQOSA-N -1 3 356.386 0.591 10 0 FCAEHM COc1ccc(CS(=O)(=O)c2n[n-]c(=O)n2C[C@H]2CCCO2)cn1 ZINC000621994384 492438439 /nfs/dbraw/zinc/43/84/39/492438439.db2.gz QTXZJNJPORALQJ-LLVKDONJSA-N -1 3 354.388 0.540 10 0 FCAEHM COc1cc2[n-]cc(C(=O)NCC[C@@]3(O)CCOC3)c(=O)c2c(OC)c1 ZINC000627995979 492440553 /nfs/dbraw/zinc/44/05/53/492440553.db2.gz KDTVEDRJAJDGHK-GOSISDBHSA-N -1 3 362.382 0.817 10 0 FCAEHM COc1cc2ncc(C(=O)NCC[C@@]3(O)CCOC3)c([O-])c2c(OC)c1 ZINC000627995979 492440555 /nfs/dbraw/zinc/44/05/55/492440555.db2.gz KDTVEDRJAJDGHK-GOSISDBHSA-N -1 3 362.382 0.817 10 0 FCAEHM CN1CC[C@@H](C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)S1(=O)=O ZINC000648724150 492448158 /nfs/dbraw/zinc/44/81/58/492448158.db2.gz GWDFDCSZOXHZBU-NSHDSACASA-N -1 3 365.408 0.170 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)NCC[C@H]2CC2(F)F)cn1C ZINC000622200357 492465169 /nfs/dbraw/zinc/46/51/69/492465169.db2.gz OJRHKPWJNVBRKI-JTQLQIEISA-N -1 3 350.391 0.558 10 0 FCAEHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000649074938 492491465 /nfs/dbraw/zinc/49/14/65/492491465.db2.gz SIZDKHDFNMVEDQ-LBPRGKRZSA-N -1 3 363.462 0.980 10 0 FCAEHM C[C@@H](CNC(=O)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1)C(=O)[O-] ZINC000655985713 492505007 /nfs/dbraw/zinc/50/50/07/492505007.db2.gz BSABNPMUMZPRTE-LIRRHRJNSA-N -1 3 361.442 0.994 10 0 FCAEHM CC(C)C[C@H](CNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)[O-] ZINC000655997701 492510006 /nfs/dbraw/zinc/51/00/06/492510006.db2.gz IYXAXYYIOKGLHX-KFWWJZLASA-N -1 3 353.463 0.983 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)NC[C@@H](O)[C@@H]1CCCO1 ZINC000628590767 492526667 /nfs/dbraw/zinc/52/66/67/492526667.db2.gz LAWUHIRHQPFXPZ-BDAKNGLRSA-N -1 3 368.864 0.336 10 0 FCAEHM COc1cc(NC(=O)c2cc(C3CC3)nc3c2c(=O)[n-]c(=O)n3C)[nH]n1 ZINC000628623575 492531345 /nfs/dbraw/zinc/53/13/45/492531345.db2.gz GEFYWRIANSLHBW-UHFFFAOYSA-N -1 3 356.342 0.896 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CC(=O)NC[C@H]2CCc3cccnc32)cn1C ZINC000623313273 492542983 /nfs/dbraw/zinc/54/29/83/492542983.db2.gz CZSZZFLHUUFEDW-CYBMUJFWSA-N -1 3 363.443 0.248 10 0 FCAEHM Nc1ncc2c(n1)CN(C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])CC2 ZINC000623327029 492544588 /nfs/dbraw/zinc/54/45/88/492544588.db2.gz NZUJNMSAOUKFOH-OAHLLOKOSA-N -1 3 367.409 0.954 10 0 FCAEHM CC(C)OCCS(=O)(=O)[N-]CC(=O)Nc1cn(C)nc1-c1ccco1 ZINC000628821060 492554362 /nfs/dbraw/zinc/55/43/62/492554362.db2.gz YYIMPWZOTRUJES-UHFFFAOYSA-N -1 3 370.431 0.963 10 0 FCAEHM CN1CCOC[C@H]1CNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000628922577 492564837 /nfs/dbraw/zinc/56/48/37/492564837.db2.gz OUWMLENWHRXPKY-SECBINFHSA-N -1 3 367.880 0.127 10 0 FCAEHM CCn1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(F)C2)cn1 ZINC000656375476 492616109 /nfs/dbraw/zinc/61/61/09/492616109.db2.gz RRYFOMZFWIMJFH-UHFFFAOYSA-N -1 3 368.456 0.408 10 0 FCAEHM CNS(=O)(=O)CCCNC(=O)Cc1ccc(Br)cc1[O-] ZINC000629338566 492611937 /nfs/dbraw/zinc/61/19/37/492611937.db2.gz PNKFHBUKYHGZOV-UHFFFAOYSA-N -1 3 365.249 0.753 10 0 FCAEHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000629385951 492618726 /nfs/dbraw/zinc/61/87/26/492618726.db2.gz FUPJDBPQNDLFPZ-UHFFFAOYSA-N -1 3 368.397 0.909 10 0 FCAEHM O=S(=O)([N-]CC(F)F)c1ccc(S(=O)(=O)NCC2COC2)cc1 ZINC000629619857 492659720 /nfs/dbraw/zinc/65/97/20/492659720.db2.gz NMTNGMHEAYBTTH-UHFFFAOYSA-N -1 3 370.399 0.155 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@H](Cc1ccccc1)C(N)=O)[C@H]1CCOC1 ZINC000656884767 492659882 /nfs/dbraw/zinc/65/98/82/492659882.db2.gz DYTFTWUBTBULRH-RRFJBIMHSA-N -1 3 356.444 0.054 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@](C)(C(N)=O)c1ccccc1)[C@H]1CCOC1 ZINC000656889342 492660065 /nfs/dbraw/zinc/66/00/65/492660065.db2.gz DWIGBQLUEJDGME-BJJXKVORSA-N -1 3 356.444 0.358 10 0 FCAEHM COc1ccccc1[C@H](CO)[N-]S(=O)(=O)C[C@@H](OC)[C@@H]1CCOC1 ZINC000656913711 492667920 /nfs/dbraw/zinc/66/79/20/492667920.db2.gz OIPXSCTWIXNGFX-IVMMDQJWSA-N -1 3 359.444 0.700 10 0 FCAEHM CC(=O)N1CCc2sc(S(=O)(=O)[N-]CCCn3ccnn3)cc2C1 ZINC000656957417 492678405 /nfs/dbraw/zinc/67/84/05/492678405.db2.gz WRHCDXHHBGZSMF-UHFFFAOYSA-N -1 3 369.472 0.613 10 0 FCAEHM COCCN(C)CC[N-]S(=O)(=O)c1ncccc1Br ZINC000656965887 492681490 /nfs/dbraw/zinc/68/14/90/492681490.db2.gz QGNBYXKPXOPPSQ-UHFFFAOYSA-N -1 3 352.254 0.701 10 0 FCAEHM CN1CCN(CC[N-]S(=O)(=O)c2ncccc2Br)CC1 ZINC000656966292 492681402 /nfs/dbraw/zinc/68/14/02/492681402.db2.gz RDBMXODWPPFLTC-UHFFFAOYSA-N -1 3 363.281 0.370 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@@](C)(c1noc(C)n1)C1CC1)[C@H]1CCOC1 ZINC000656996184 492689976 /nfs/dbraw/zinc/68/99/76/492689976.db2.gz MPTIGXXKELNWRC-NJZAAPMLSA-N -1 3 359.448 0.974 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@H](C1CC1)[C@]1(CO)CCCO1)[C@H]1CCOC1 ZINC000656997797 492690846 /nfs/dbraw/zinc/69/08/46/492690846.db2.gz MDNCYNGCTGXTQI-ZJIFWQFVSA-N -1 3 363.476 0.277 10 0 FCAEHM COC[C@]1(C)CN(C(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)CCO1 ZINC000629905539 492699171 /nfs/dbraw/zinc/69/91/71/492699171.db2.gz NJFSULRTRCRIFH-IBGZPJMESA-N -1 3 373.409 0.522 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-][C@@](C)(C(N)=O)c2ccccc2)CCOCC1 ZINC000624937937 492699195 /nfs/dbraw/zinc/69/91/95/492699195.db2.gz DHZCRAFMLLUGAX-MRXNPFEDSA-N -1 3 370.471 0.892 10 0 FCAEHM COc1cc(F)c(Br)cc1S(=O)(=O)[N-][C@H]1CCNC1=O ZINC000657031636 492700966 /nfs/dbraw/zinc/70/09/66/492700966.db2.gz JWGOPMSLULMOFO-QMMMGPOBSA-N -1 3 367.196 0.764 10 0 FCAEHM CCO[C@H](CS(=O)(=O)[N-][C@@H]1CCN(CC(F)(F)F)C1=O)C1CC1 ZINC000624965292 492704365 /nfs/dbraw/zinc/70/43/65/492704365.db2.gz WUWFBPMLNBSYIT-GHMZBOCLSA-N -1 3 358.382 0.884 10 0 FCAEHM COC[C@@H](CC[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)OC ZINC000657053802 492704925 /nfs/dbraw/zinc/70/49/25/492704925.db2.gz SFKBWVNVOITJBN-LLVKDONJSA-N -1 3 351.446 0.420 10 0 FCAEHM CCOC1(CS(=O)(=O)[N-]C[C@H](O)COc2ccccc2)CCOCC1 ZINC000624992111 492707459 /nfs/dbraw/zinc/70/74/59/492707459.db2.gz OGVHATXDQVGXIH-HNNXBMFYSA-N -1 3 373.471 0.931 10 0 FCAEHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)c2ncnn21 ZINC000657065006 492707546 /nfs/dbraw/zinc/70/75/46/492707546.db2.gz XDXDPOYXEZFABU-JOYOIKCWSA-N -1 3 356.429 0.666 10 0 FCAEHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)c2ncnn21 ZINC000657068592 492708232 /nfs/dbraw/zinc/70/82/32/492708232.db2.gz QIKKSCTXTUKDET-GZMMTYOYSA-N -1 3 374.419 0.805 10 0 FCAEHM C[C@@H](C(=O)NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)c1cncnc1 ZINC000629955626 492708953 /nfs/dbraw/zinc/70/89/53/492708953.db2.gz HWALCLDUTXJRRE-ZMZPIMSZSA-N -1 3 353.382 0.951 10 0 FCAEHM CCO[C@H](CS(=O)(=O)[N-][C@@H]1CCCN(c2ccn(C)n2)C1=O)C1CC1 ZINC000625025152 492711836 /nfs/dbraw/zinc/71/18/36/492711836.db2.gz UHSNHHWLONUGKU-ZIAGYGMSSA-N -1 3 370.475 0.650 10 0 FCAEHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)[C@H]2COC(C)(C)C2)C(=O)N1c1cnn(C)c1 ZINC000625025198 492711946 /nfs/dbraw/zinc/71/19/46/492711946.db2.gz DEGOAINXBVZEDI-RAIGVLPGSA-N -1 3 356.448 0.401 10 0 FCAEHM CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-][C@H]1CCCN(C)C1=O ZINC000625045516 492715332 /nfs/dbraw/zinc/71/53/32/492715332.db2.gz VRNJTDUTSJKANC-CABCVRRESA-N -1 3 358.435 0.923 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]CCN2C[C@@H](C)OC[C@H]2C)coc1C(=O)N(C)C ZINC000657092739 492715438 /nfs/dbraw/zinc/71/54/38/492715438.db2.gz WLFRDKVKGDLLGN-VXGBXAGGSA-N -1 3 373.475 0.677 10 0 FCAEHM CO[C@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000657099483 492718827 /nfs/dbraw/zinc/71/88/27/492718827.db2.gz FLHYVRPMGHMQSH-SFYZADRCSA-N -1 3 374.362 0.191 10 0 FCAEHM CO[C@@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)C[C@@H](C)CC(F)(F)F ZINC000657100159 492719014 /nfs/dbraw/zinc/71/90/14/492719014.db2.gz KHOPDDOFCGLXNC-DJLDLDEBSA-N -1 3 353.384 0.306 10 0 FCAEHM COCc1nc(C[N-]S(=O)(=O)c2cccc3c2OC(F)(F)O3)n[nH]1 ZINC000657105385 492722853 /nfs/dbraw/zinc/72/28/53/492722853.db2.gz WCZIDTNUVWGSGW-UHFFFAOYSA-N -1 3 362.314 0.751 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@@H](C)C(O)[C@H](C)C1 ZINC000657135537 492729469 /nfs/dbraw/zinc/72/94/69/492729469.db2.gz XBMSPTLFTIATFY-GHMZBOCLSA-N -1 3 362.473 0.232 10 0 FCAEHM CC(C)(C)[C@@H](O)C[C@H](CO)[N-]S(=O)(=O)c1cnnn1-c1ccccc1 ZINC000625192773 492736813 /nfs/dbraw/zinc/73/68/13/492736813.db2.gz IMOLABXXQNQTCI-OCCSQVGLSA-N -1 3 368.459 0.704 10 0 FCAEHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCC(=O)N2)cc1Cl ZINC000657188589 492739690 /nfs/dbraw/zinc/73/96/90/492739690.db2.gz AVONNAZPNPCEHH-QMMMGPOBSA-N -1 3 363.798 0.994 10 0 FCAEHM CCO[C@@H](CS(=O)(=O)[N-]C[C@H](N1CCOCC1)C(F)(F)F)C1CC1 ZINC000625215099 492739861 /nfs/dbraw/zinc/73/98/61/492739861.db2.gz QXXLPTVGNMIPEA-STQMWFEESA-N -1 3 374.425 0.984 10 0 FCAEHM Cc1ccc(S(=O)(=O)[N-]CCCCn2cc(C(N)=O)nn2)c(F)c1F ZINC000625253631 492746050 /nfs/dbraw/zinc/74/60/50/492746050.db2.gz NLIBWOVIYDPAFI-UHFFFAOYSA-N -1 3 373.385 0.722 10 0 FCAEHM CC(C)(C[N-]S(=O)(=O)c1cnnn1-c1ccccc1)[C@]1(O)CCOC1 ZINC000625267621 492748745 /nfs/dbraw/zinc/74/87/45/492748745.db2.gz ZNWAFVKYWLIDID-INIZCTEOSA-N -1 3 366.443 0.723 10 0 FCAEHM CO[C@@H](C[N-]S(=O)(=O)c1cnnn1-c1ccccc1)[C@H]1CCOC1 ZINC000625272678 492749304 /nfs/dbraw/zinc/74/93/04/492749304.db2.gz HHKHIFPLWZOMSR-JSGCOSHPSA-N -1 3 352.416 0.597 10 0 FCAEHM COC1(CS(=O)(=O)[N-]CC(=O)N(C)Cc2ccccc2)CCOCC1 ZINC000651525559 492774380 /nfs/dbraw/zinc/77/43/80/492774380.db2.gz GMVDYLONSRIJKV-UHFFFAOYSA-N -1 3 370.471 0.760 10 0 FCAEHM O=S(=O)([N-][C@@H]1CCN(c2ccc3nncn3n2)C1)c1cccs1 ZINC000625417983 492777777 /nfs/dbraw/zinc/77/77/77/492777777.db2.gz OGITVVSMEDXQAG-SNVBAGLBSA-N -1 3 350.429 0.743 10 0 FCAEHM O=S(=O)([N-][C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccccc1F ZINC000625419086 492777914 /nfs/dbraw/zinc/77/79/14/492777914.db2.gz XVSDCWHBMGZUBM-LLVKDONJSA-N -1 3 362.390 0.821 10 0 FCAEHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC3(C2)CCCO3)cc1F ZINC000625427733 492781355 /nfs/dbraw/zinc/78/13/55/492781355.db2.gz CSCGVHUGLWVXLJ-UHFFFAOYSA-N -1 3 364.420 0.751 10 0 FCAEHM O=S(=O)([N-]C1CC1)c1ccccc1S(=O)(=O)N1CC2(C1)CCCO2 ZINC000625429975 492781750 /nfs/dbraw/zinc/78/17/50/492781750.db2.gz NQPQTIACNHPWGC-UHFFFAOYSA-N -1 3 372.468 0.681 10 0 FCAEHM CO[C@H]1CN2C(=O)N(CC[N-]S(=O)(=O)c3cccs3)C(=O)[C@@]2(C)C1 ZINC000630977840 492791743 /nfs/dbraw/zinc/79/17/43/492791743.db2.gz JGDZXLZAHUDPKO-QMTHXVAHSA-N -1 3 373.456 0.468 10 0 FCAEHM COC1(CS(=O)(=O)[N-]C2(C(N)=O)CCC(C)(C)CC2)CCOCC1 ZINC000651619569 492794887 /nfs/dbraw/zinc/79/48/87/492794887.db2.gz ZEQFWRIVINEQOO-UHFFFAOYSA-N -1 3 362.492 0.926 10 0 FCAEHM COc1ccc(Cn2[n-]nnc2=NC2CCN([C@H]3CCOC3)CC2)cc1 ZINC000631172008 492802614 /nfs/dbraw/zinc/80/26/14/492802614.db2.gz NIPKEECETSPWJT-INIZCTEOSA-N -1 3 358.446 0.817 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@@H]2CCS(=O)(=O)[C@@H]2C)coc1C(=O)N(C)C ZINC000625522385 492809349 /nfs/dbraw/zinc/80/93/49/492809349.db2.gz TXHACJBMMYHAID-NXEZZACHSA-N -1 3 364.445 0.144 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCO[C@@H](CCF)C1 ZINC000625551104 492817327 /nfs/dbraw/zinc/81/73/27/492817327.db2.gz CGRCHWSFLHUWKH-NSHDSACASA-N -1 3 366.436 0.344 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-][C@@]1(C)CCS(=O)(=O)C1 ZINC000631655857 492830049 /nfs/dbraw/zinc/83/00/49/492830049.db2.gz JRYKAGBQBFLIGF-VIFPVBQESA-N -1 3 361.367 0.294 10 0 FCAEHM CCN1C[C@H](C[N-]S(=O)(=O)c2coc(C(=O)N(C)C)c2C)CC1=O ZINC000651855794 492835921 /nfs/dbraw/zinc/83/59/21/492835921.db2.gz ASXICZGDHWLUFV-NSHDSACASA-N -1 3 357.432 0.437 10 0 FCAEHM CC(C)n1cnc(=NC(=O)C(=O)NC[C@@H]2CN(C)C[C@H]2c2ccccc2)[n-]1 ZINC000651869435 492838432 /nfs/dbraw/zinc/83/84/32/492838432.db2.gz UNRJGQSAKFSRBQ-CVEARBPZSA-N -1 3 370.457 0.681 10 0 FCAEHM CCn1cnc(S(=O)(=O)[N-]C[C@H]2CN(Cc3ccncc3)CCO2)c1 ZINC000625618458 492841121 /nfs/dbraw/zinc/84/11/21/492841121.db2.gz JPUDWBPRMOLWHV-HNNXBMFYSA-N -1 3 365.459 0.477 10 0 FCAEHM Cc1cc(F)c(S(=O)(=O)[N-]C2CN(S(=O)(=O)N(C)C)C2)cc1F ZINC000625624078 492845840 /nfs/dbraw/zinc/84/58/40/492845840.db2.gz HZBZUXQYHNXWDT-UHFFFAOYSA-N -1 3 369.415 0.042 10 0 FCAEHM Cn1cc(Br)c(C(=O)N2CCC[C@H]2c2nc(=N)n(C)[n-]2)n1 ZINC000651976435 492857137 /nfs/dbraw/zinc/85/71/37/492857137.db2.gz MEGCTNBHOWWIAC-QMMMGPOBSA-N -1 3 354.212 0.701 10 0 FCAEHM CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1 ZINC000651979391 492857167 /nfs/dbraw/zinc/85/71/67/492857167.db2.gz NSSSKPFKVDSVIP-GJZGRUSLSA-N -1 3 354.414 0.869 10 0 FCAEHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H]1CCN(C2CCC2)C1=O ZINC000625693144 492863313 /nfs/dbraw/zinc/86/33/13/492863313.db2.gz QBZAHODQKUYQEM-LBPRGKRZSA-N -1 3 372.468 0.522 10 0 FCAEHM CN1C[C@@H]([N-]S(=O)(=O)Cc2ncsc2Br)CC1=O ZINC000631871222 492866334 /nfs/dbraw/zinc/86/63/34/492866334.db2.gz HKTNGCCPTBNMFU-LURJTMIESA-N -1 3 354.251 0.556 10 0 FCAEHM COc1cccc(N2CC[C@@H](C[N-]S(=O)(=O)c3nncn3C)C2)c1 ZINC000631882425 492869112 /nfs/dbraw/zinc/86/91/12/492869112.db2.gz CGFVYRYKUGWALG-LBPRGKRZSA-N -1 3 351.432 0.629 10 0 FCAEHM COC1(CS(=O)(=O)[N-]CC(=O)N(C)CCc2ccccn2)CCC1 ZINC000631892288 492871546 /nfs/dbraw/zinc/87/15/46/492871546.db2.gz FASQDTSGQHRGBT-UHFFFAOYSA-N -1 3 355.460 0.571 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNc2nc(N)nc3c2CCCC3)s1 ZINC000645139977 492871859 /nfs/dbraw/zinc/87/18/59/492871859.db2.gz YDVPGWYGFKSTOY-UHFFFAOYSA-N -1 3 353.473 0.941 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]CCN1CCOCC1(C)C ZINC000631897593 492872472 /nfs/dbraw/zinc/87/24/72/492872472.db2.gz KBEIGEDQCPEBCT-UHFFFAOYSA-N -1 3 370.397 0.828 10 0 FCAEHM O=C1[C@H]([N-]S(=O)(=O)C[C@H]2CNCCO2)CCCN1c1ccccc1 ZINC000631920307 492885234 /nfs/dbraw/zinc/88/52/34/492885234.db2.gz XCGULNINOQUYJG-HUUCEWRRSA-N -1 3 353.444 0.090 10 0 FCAEHM O=C(c1ccc([O-])cc1)C1CCN(S(=O)(=O)C[C@H]2CNCCO2)CC1 ZINC000631921830 492885776 /nfs/dbraw/zinc/88/57/76/492885776.db2.gz KQHXIWQBJWDANX-MRXNPFEDSA-N -1 3 368.455 0.605 10 0 FCAEHM CCN1C[C@@H](S(=O)(=O)[N-]C(C)(C)C(=O)Nc2ccccc2)CC1=O ZINC000631927019 492887654 /nfs/dbraw/zinc/88/76/54/492887654.db2.gz NLURGVXNCILHOS-ZDUSSCGKSA-N -1 3 353.444 0.944 10 0 FCAEHM O=C1[C@@H]([N-]S(=O)(=O)C[C@H]2CNCCO2)CCCN1c1ccccc1F ZINC000631928710 492889819 /nfs/dbraw/zinc/88/98/19/492889819.db2.gz LBAVHHIUBPTBHM-OCCSQVGLSA-N -1 3 371.434 0.229 10 0 FCAEHM O=C1C[C@@H](S(=O)(=O)[N-][C@H]2CCN(c3ccccc3)C2=O)CN1C1CC1 ZINC000631934489 492891020 /nfs/dbraw/zinc/89/10/20/492891020.db2.gz CIXHXOYSWAFTSB-CABCVRRESA-N -1 3 363.439 0.475 10 0 FCAEHM CCN1C[C@H](S(=O)(=O)[N-][C@@H]2CCN(c3ccccc3)C2=O)CC1=O ZINC000631934880 492891143 /nfs/dbraw/zinc/89/11/43/492891143.db2.gz MZRLXWUJXLFGCI-ZIAGYGMSSA-N -1 3 351.428 0.332 10 0 FCAEHM Cn1c2cc([O-])c(NC(=O)CCCCCS(N)(=O)=O)cc2n(C)c1=O ZINC000652258743 492901647 /nfs/dbraw/zinc/90/16/47/492901647.db2.gz YNFBJBPDTBTYAW-UHFFFAOYSA-N -1 3 370.431 0.370 10 0 FCAEHM CN1CCO[C@@H](CS(=O)(=O)[N-][C@@H](CO)c2cc(F)ccc2F)C1 ZINC000632004282 492908064 /nfs/dbraw/zinc/90/80/64/492908064.db2.gz FEMCNZBYLNKQPJ-RISCZKNCSA-N -1 3 350.387 0.248 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]C[C@@H](O)C1CCOCC1 ZINC000632014260 492911263 /nfs/dbraw/zinc/91/12/63/492911263.db2.gz GEWXDXGOMBUEFH-SNVBAGLBSA-N -1 3 357.354 0.505 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-][C@@H](Cc1ccccc1)C(N)=O)C1CCOCC1 ZINC000645491869 492914417 /nfs/dbraw/zinc/91/44/17/492914417.db2.gz JCAXHWCSTPDFKZ-JKSUJKDBSA-N -1 3 370.471 0.444 10 0 FCAEHM Cn1ccc(N2CCC[C@@H]([N-]S(=O)(=O)C[C@@H]3CCC3(F)F)C2=O)n1 ZINC000632038144 492916474 /nfs/dbraw/zinc/91/64/74/492916474.db2.gz PTMYMLSAHMWEMD-WDEREUQCSA-N -1 3 362.402 0.880 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]C[C@H](C)N2CCN(C)CC2)coc1C(=O)N(C)C ZINC000645559670 492925718 /nfs/dbraw/zinc/92/57/18/492925718.db2.gz GWWIXVMCBCDZIG-LBPRGKRZSA-N -1 3 372.491 0.204 10 0 FCAEHM Cc1c(S(=O)(=O)[N-]Cc2nnnn2C2CC2)coc1C(=O)N(C)C ZINC000645572466 492930380 /nfs/dbraw/zinc/93/03/80/492930380.db2.gz RWSQCQRMKWDTMN-UHFFFAOYSA-N -1 3 354.392 0.090 10 0 FCAEHM CCc1nncn1CC[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000645571385 492930458 /nfs/dbraw/zinc/93/04/58/492930458.db2.gz PMNYQAAXAPPPSD-UHFFFAOYSA-N -1 3 355.420 0.422 10 0 FCAEHM CCN1C[C@@H](S(=O)(=O)[N-][C@@H]2CCN(C3CCCCC3)C2=O)CC1=O ZINC000632113303 492931903 /nfs/dbraw/zinc/93/19/03/492931903.db2.gz XJYGFPBNTXXSPB-UONOGXRCSA-N -1 3 357.476 0.460 10 0 FCAEHM CCN1C[C@@H](S(=O)(=O)[N-][C@H]2CCCN(CC(F)(F)F)C2=O)CC1=O ZINC000632127746 492935239 /nfs/dbraw/zinc/93/52/39/492935239.db2.gz HMPSZCHIFXDSKC-UWVGGRQHSA-N -1 3 371.381 0.080 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@H](C)[C@@H]2CN(C)CCO2)coc1C(=O)N(C)C ZINC000645613226 492940061 /nfs/dbraw/zinc/94/00/61/492940061.db2.gz LGLTUFLOTYIXKD-NEPJUHHUSA-N -1 3 359.448 0.287 10 0 FCAEHM COC[C@H]([N-]S(=O)(=O)C[C@@H]1CN(C)CCO1)c1ccc(F)c(F)c1 ZINC000632180084 492945431 /nfs/dbraw/zinc/94/54/31/492945431.db2.gz LVIQHDUHMWDTTB-WFASDCNBSA-N -1 3 364.414 0.902 10 0 FCAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)c1cn2c(n1)COCC2 ZINC000626223715 492949167 /nfs/dbraw/zinc/94/91/67/492949167.db2.gz QTIMRRHMVLKHRO-UHFFFAOYSA-N -1 3 356.429 0.183 10 0 FCAEHM CCO[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000632209747 492951710 /nfs/dbraw/zinc/95/17/10/492951710.db2.gz KUNZQZQODXMLRZ-UWVGGRQHSA-N -1 3 357.354 0.911 10 0 FCAEHM Cc1cccc2cc(S(=O)(=O)[N-]CCN3CCNC(=O)C3)sc21 ZINC000645645970 492953320 /nfs/dbraw/zinc/95/33/20/492953320.db2.gz UNLXDMQNQQAKRG-UHFFFAOYSA-N -1 3 353.469 0.920 10 0 FCAEHM COc1ncc(S(=O)(=O)N2CCc3c(nc[n-]c3=O)C2)cc1Cl ZINC000645648128 492953811 /nfs/dbraw/zinc/95/38/11/492953811.db2.gz KAUXOLQGPCGUEW-UHFFFAOYSA-N -1 3 356.791 0.986 10 0 FCAEHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2coc(C(=O)N(C)C)c2C)[C@H]1OC ZINC000645651619 492954603 /nfs/dbraw/zinc/95/46/03/492954603.db2.gz SUWYAPSYRNMNAX-JTNHKYCSSA-N -1 3 360.432 0.761 10 0 FCAEHM CN1CCO[C@H](CS(=O)(=O)[N-]Cc2cc(COC(C)(C)C)on2)C1 ZINC000632237518 492954719 /nfs/dbraw/zinc/95/47/19/492954719.db2.gz DLWVUBPBJSEWLA-AWEZNQCLSA-N -1 3 361.464 0.740 10 0 FCAEHM CCNC(=O)C1(C[N-]S(=O)(=O)c2coc(C(=O)N(C)C)c2C)CCC1 ZINC000645678729 492958425 /nfs/dbraw/zinc/95/84/25/492958425.db2.gz MUUHTTGQCGDISQ-UHFFFAOYSA-N -1 3 371.459 0.875 10 0 FCAEHM CN(C)C1(CS(=O)(=O)[N-]Cc2ncn(Cc3cccc(F)c3)n2)CC1 ZINC000632258474 492959734 /nfs/dbraw/zinc/95/97/34/492959734.db2.gz ZMMYGQZWBRTFDY-UHFFFAOYSA-N -1 3 367.450 0.979 10 0 FCAEHM CCO[C@@H]1C[C@@](O)(C[N-]S(=O)(=O)[C@H]2CC(=O)N(C3CC3)C2)C1(C)C ZINC000632269020 492961270 /nfs/dbraw/zinc/96/12/70/492961270.db2.gz WIHVTUXNWARDPG-WOSRLPQWSA-N -1 3 360.476 0.235 10 0 FCAEHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H]2C[C@H](C(N)=O)C2)cc1OC ZINC000626317382 492961814 /nfs/dbraw/zinc/96/18/14/492961814.db2.gz SMAYXVQONZGMIR-HOMQSWHASA-N -1 3 370.431 0.842 10 0 FCAEHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]CC1(N2CCOCC2)CC1 ZINC000632279536 492963301 /nfs/dbraw/zinc/96/33/01/492963301.db2.gz ZANCVUCSSNSGRH-UHFFFAOYSA-N -1 3 368.381 0.582 10 0 FCAEHM CS(=O)(=O)c1cccnc1C[N-]S(=O)(=O)C[C@H]1CCC1(F)F ZINC000632285395 492965520 /nfs/dbraw/zinc/96/55/20/492965520.db2.gz QBODABBCSKPVCG-SECBINFHSA-N -1 3 354.400 0.950 10 0 FCAEHM CC(C)[C@H]([N-]S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1)[C@H](O)C(F)(F)F ZINC000632306112 492969187 /nfs/dbraw/zinc/96/91/87/492969187.db2.gz MEJOULGIPKHENJ-DLOVCJGASA-N -1 3 358.382 0.617 10 0 FCAEHM CC[C@@H]([N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C)[C@H](O)C(F)F ZINC000645744495 492969553 /nfs/dbraw/zinc/96/95/53/492969553.db2.gz YFFJVGMFMXGWSV-SCZZXKLOSA-N -1 3 354.375 0.973 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]Cc1nn(C)cc1Cl)C1CCOCC1 ZINC000645746515 492969684 /nfs/dbraw/zinc/96/96/84/492969684.db2.gz SUNYFCLDMOHTPC-CYBMUJFWSA-N -1 3 351.856 0.935 10 0 FCAEHM CO[C@@H](CS(=O)(=O)[N-]Cc1n[nH]c(C(C)(C)C)n1)C1CCOCC1 ZINC000645753862 492970189 /nfs/dbraw/zinc/97/01/89/492970189.db2.gz KVITYVYKJWQHOB-LBPRGKRZSA-N -1 3 360.480 0.963 10 0 FCAEHM Cc1c(S(=O)(=O)[N-][C@@H](CO)[C@H]2CCCOC2)coc1C(=O)N(C)C ZINC000645761121 492971080 /nfs/dbraw/zinc/97/10/80/492971080.db2.gz VAACVZWRWQDHGI-RYUDHWBXSA-N -1 3 360.432 0.356 10 0 FCAEHM CC(C)(C)OCCS(=O)(=O)[N-]C[C@H](N1CCOCC1)C(F)(F)F ZINC000632333847 492975464 /nfs/dbraw/zinc/97/54/64/492975464.db2.gz LFLWEKIRGMLTEP-NSHDSACASA-N -1 3 362.414 0.984 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CCC(C3(O)CC3)CC2)cn1C ZINC000652665648 492982465 /nfs/dbraw/zinc/98/24/65/492982465.db2.gz KSWXXWYDZQLDSA-UHFFFAOYSA-N -1 3 370.475 0.160 10 0 FCAEHM O=C(C[N-]S(=O)(=O)c1ccccc1F)N1CCC(C2(O)CC2)CC1 ZINC000652671015 492984140 /nfs/dbraw/zinc/98/41/40/492984140.db2.gz NDCDMYYQWLWZBW-UHFFFAOYSA-N -1 3 356.419 0.868 10 0 FCAEHM O=C(C[N-]S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1)c1c(F)cccc1F ZINC000632480676 493006115 /nfs/dbraw/zinc/00/61/15/493006115.db2.gz XBCVTRAQPDZROR-JTQLQIEISA-N -1 3 358.366 0.830 10 0 FCAEHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000632477503 493006396 /nfs/dbraw/zinc/00/63/96/493006396.db2.gz GNVFVKBZWXQBRF-ZDUSSCGKSA-N -1 3 373.500 0.309 10 0 FCAEHM COC[C@H](C)S(=O)(=O)[N-]CC(=O)c1cncc(Br)c1 ZINC000632638164 493055042 /nfs/dbraw/zinc/05/50/42/493055042.db2.gz ZRPSARURSXMAAN-QMMMGPOBSA-N -1 3 351.222 0.981 10 0 FCAEHM CO[C@H](C[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C)[C@@H]1CCOC1 ZINC000632546569 493026238 /nfs/dbraw/zinc/02/62/38/493026238.db2.gz UUBUKSNCMVBJEH-PSASIEDQSA-N -1 3 357.354 0.769 10 0 FCAEHM Cc1nn2cc(Br)cnc2c1S(=O)(=O)[N-]C/C=C\CO ZINC000632549835 493027153 /nfs/dbraw/zinc/02/71/53/493027153.db2.gz IFAZTHBRXQJZKY-IHWYPQMZSA-N -1 3 361.221 0.627 10 0 FCAEHM C[C@@H]1CN(CC[N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)[C@H](C)CO1 ZINC000632550424 493027412 /nfs/dbraw/zinc/02/74/12/493027412.db2.gz YBBBJMAIXGGBJD-NXEZZACHSA-N -1 3 370.397 0.826 10 0 FCAEHM C[C@H]1CN(CC[N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)[C@@H](C)CO1 ZINC000632550425 493027440 /nfs/dbraw/zinc/02/74/40/493027440.db2.gz YBBBJMAIXGGBJD-UWVGGRQHSA-N -1 3 370.397 0.826 10 0 FCAEHM CC(C)[C@H](O)[C@@H]([N-]S(=O)(=O)C[C@@H]1CN(C)CCO1)c1ccccc1 ZINC000632568180 493030952 /nfs/dbraw/zinc/03/09/52/493030952.db2.gz XJPCJTBZYCGTLQ-ULQDDVLXSA-N -1 3 356.488 0.995 10 0 FCAEHM Cn1cc([C@@H]2[C@@H](C(=O)[N-]c3nnc4[nH]cnn34)CC(=O)N2C(C)(C)C)cn1 ZINC000646266830 493035258 /nfs/dbraw/zinc/03/52/58/493035258.db2.gz VECRMRQQLXONPV-CMPLNLGQSA-N -1 3 371.405 0.513 10 0 FCAEHM CC(C)n1cc(CNC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)nn1 ZINC000646345908 493041876 /nfs/dbraw/zinc/04/18/76/493041876.db2.gz GLXOUGOYRATDGQ-NSHDSACASA-N -1 3 369.422 0.981 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N(C)[C@H]1CCC(=O)N(C)C1 ZINC000646407837 493046356 /nfs/dbraw/zinc/04/63/56/493046356.db2.gz PLMJGYZIQQFASQ-RYUDHWBXSA-N -1 3 371.434 0.572 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)c2cncc(N3CCCC3=O)c2)nc1=N ZINC000626884407 493049810 /nfs/dbraw/zinc/04/98/10/493049810.db2.gz HNXLIFXYNCWTSK-ZDUSSCGKSA-N -1 3 355.402 0.727 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCN2C)o1 ZINC000646448013 493049895 /nfs/dbraw/zinc/04/98/95/493049895.db2.gz YHTIBQVPRGASFL-NWDGAFQWSA-N -1 3 357.432 0.123 10 0 FCAEHM O=C1C[C@@H](S(=O)(=O)[N-]C[C@H](n2cncn2)C(F)(F)F)CN1C1CC1 ZINC000632645470 493057382 /nfs/dbraw/zinc/05/73/82/493057382.db2.gz QOYUFXFBLCXWRN-ZJUUUORDSA-N -1 3 367.353 0.064 10 0 FCAEHM C[C@]1(c2ccc(C(=O)N3CC(C)(C)O[C@@H]4COC[C@H]43)cc2)NC(=O)[N-]C1=O ZINC000653006047 493058049 /nfs/dbraw/zinc/05/80/49/493058049.db2.gz BYVYCUJGJHALIJ-PJIJBLCYSA-N -1 3 373.409 0.760 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)C1CN(C(=O)c2ccccc2)C1)[C@@H](O)C(F)(F)F ZINC000632673646 493063535 /nfs/dbraw/zinc/06/35/35/493063535.db2.gz MQEYOBZGPIBPKR-BXKDBHETSA-N -1 3 366.361 0.742 10 0 FCAEHM CCN1CCC[C@H]1CN1C[C@H](C(=O)N2[C@@H](C)CC[C@H]2C(=O)[O-])CC1=O ZINC000653317681 493093698 /nfs/dbraw/zinc/09/36/98/493093698.db2.gz DHLYSKCFQKSWBR-XGUBFFRZSA-N -1 3 351.447 0.783 10 0 FCAEHM CN1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)CCc2nnn[n-]2)CC1 ZINC000632869399 493094050 /nfs/dbraw/zinc/09/40/50/493094050.db2.gz QCIAYGGYKJSPHH-AWEZNQCLSA-N -1 3 352.483 0.852 10 0 FCAEHM CN1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)CCc2nn[n-]n2)CC1 ZINC000632869399 493094053 /nfs/dbraw/zinc/09/40/53/493094053.db2.gz QCIAYGGYKJSPHH-AWEZNQCLSA-N -1 3 352.483 0.852 10 0 FCAEHM Cn1ccnc1COCC(=O)Nc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000666445825 493185260 /nfs/dbraw/zinc/18/52/60/493185260.db2.gz JGHNSERXRNQYOQ-KRWDZBQOSA-N -1 3 357.370 0.630 10 0 FCAEHM C[C@@H]1CN(C(=O)Nc2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)C[C@@H](C)C1O ZINC000666513091 493195839 /nfs/dbraw/zinc/19/58/39/493195839.db2.gz MTVFYZNPDYRGDI-GYSYKLTISA-N -1 3 360.414 0.918 10 0 FCAEHM Cc1cncc(CCNC(=O)Nc2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)n1 ZINC000666512358 493196454 /nfs/dbraw/zinc/19/64/54/493196454.db2.gz ADJMPDQXVFGPRV-HNNXBMFYSA-N -1 3 368.397 0.900 10 0 FCAEHM COC[C@@H](CCNC(=O)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1)OC ZINC000666513122 493196776 /nfs/dbraw/zinc/19/67/76/493196776.db2.gz MYESOEJHDNFEHO-ZIAGYGMSSA-N -1 3 364.402 0.610 10 0 FCAEHM C[C@@H]1CN(C(=O)Nc2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)C[C@H](C)[C@H]1O ZINC000666513093 493196833 /nfs/dbraw/zinc/19/68/33/493196833.db2.gz MTVFYZNPDYRGDI-IDTSFGKNSA-N -1 3 360.414 0.918 10 0 FCAEHM CC(C)CN1CCO[C@H](CNC(=O)CN2C[C@H](C(=O)[O-])CC[C@@H]2C)C1 ZINC000647367373 493197748 /nfs/dbraw/zinc/19/77/48/493197748.db2.gz SQOIXWXRGGVKSK-ARFHVFGLSA-N -1 3 355.479 0.645 10 0 FCAEHM NCc1cc(=O)[n-]c(CNC(=O)NCc2ccc3c(c2)OC(F)(F)O3)n1 ZINC000659556319 493212932 /nfs/dbraw/zinc/21/29/32/493212932.db2.gz GEPFCCVKMZCSOA-UHFFFAOYSA-N -1 3 367.312 0.962 10 0 FCAEHM Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2C(=O)NCc1nc(CN)cc(=O)[n-]1 ZINC000659628956 493223005 /nfs/dbraw/zinc/22/30/05/493223005.db2.gz ALHVPFHLBHSUIS-QXMXGUDHSA-N -1 3 371.445 0.995 10 0 FCAEHM NCc1cc(=O)[n-]c(CNC(=O)C(=O)NCCCc2cccc(F)c2)n1 ZINC000659671753 493243154 /nfs/dbraw/zinc/24/31/54/493243154.db2.gz JUFZTCHTZUQXER-UHFFFAOYSA-N -1 3 361.377 0.145 10 0 FCAEHM COc1cccc(CNC(=O)N2CCC[C@H]2C[C@]2(C)NC(=O)[N-]C2=O)n1 ZINC000672798616 493251973 /nfs/dbraw/zinc/25/19/73/493251973.db2.gz GCXUNWHQHSIOCQ-SJCJKPOMSA-N -1 3 361.402 0.752 10 0 FCAEHM C[C@H](NC(=O)C(=O)NCc1nc(CN)cc(=O)[n-]1)C1CCC(F)(F)CC1 ZINC000659727003 493274232 /nfs/dbraw/zinc/27/42/32/493274232.db2.gz NTKVPFYJJLPCTD-VIFPVBQESA-N -1 3 371.388 0.587 10 0 FCAEHM C[C@@H]1CN(C(=O)C(=O)NCc2nc(CN)cc(=O)[n-]2)CCc2ccccc21 ZINC000659748326 493284313 /nfs/dbraw/zinc/28/43/13/493284313.db2.gz TUGNHCVTMLCWKR-GFCCVEGCSA-N -1 3 369.425 0.446 10 0 FCAEHM NCc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCC[C@@]3(CC=CCC3)C2)n1 ZINC000659748185 493284879 /nfs/dbraw/zinc/28/48/79/493284879.db2.gz POKOYOSCFGHIRP-SFHVURJKSA-N -1 3 359.430 0.606 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2C[C@@H](O)CC(F)(F)C2)s1 ZINC000682440987 493299188 /nfs/dbraw/zinc/29/91/88/493299188.db2.gz PEZCMJCWMKRKPC-QMMMGPOBSA-N -1 3 369.415 0.568 10 0 FCAEHM CN1CCc2c(NC(=O)N3CCN4C(=O)[N-]C(=O)[C@H]4C3)cccc2C1=O ZINC000667881612 493306121 /nfs/dbraw/zinc/30/61/21/493306121.db2.gz YANFGAMXKKWISB-CYBMUJFWSA-N -1 3 357.370 0.083 10 0 FCAEHM CN1CCc2c(NC(=O)N3CCN4C(=O)[N-]C(=O)[C@@H]4C3)cccc2C1=O ZINC000667881613 493306199 /nfs/dbraw/zinc/30/61/99/493306199.db2.gz YANFGAMXKKWISB-ZDUSSCGKSA-N -1 3 357.370 0.083 10 0 FCAEHM CO[C@H](C(=O)NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)[C@H]1CCOC1 ZINC000667893987 493307737 /nfs/dbraw/zinc/30/77/37/493307737.db2.gz FHVZTMVESMHZKV-YEWDVWPNSA-N -1 3 361.398 0.409 10 0 FCAEHM CC(C)O[C@]1(CS(=O)(=O)[N-][C@H]2CC[C@@H](C)S(=O)(=O)C2)CCOC1 ZINC000659988902 493312618 /nfs/dbraw/zinc/31/26/18/493312618.db2.gz WVHWJDINJNYUCG-HZSPNIEDSA-N -1 3 369.505 0.456 10 0 FCAEHM COc1nnc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)s1 ZINC000682689841 493317154 /nfs/dbraw/zinc/31/71/54/493317154.db2.gz GNHWXKMLNDOTGG-ZETCQYMHSA-N -1 3 360.392 0.991 10 0 FCAEHM O=C1N(CC[N-]S(=O)(=O)c2cnn3c2OCCC3)C[C@@H]2CCCCN12 ZINC000660053749 493319382 /nfs/dbraw/zinc/31/93/82/493319382.db2.gz YSXLPNJHXBZOGR-LBPRGKRZSA-N -1 3 369.447 0.234 10 0 FCAEHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]C3CC(NS(C)(=O)=O)C3)cn21 ZINC000668196963 493324311 /nfs/dbraw/zinc/32/43/11/493324311.db2.gz LRDACXFQHIBUHF-KPPDAEKUSA-N -1 3 362.477 0.139 10 0 FCAEHM O=C(CC[C@@H]1NC(=O)[N-]C1=O)NC[C@H](CO)Cc1ccc(F)c(F)c1 ZINC000682980009 493329020 /nfs/dbraw/zinc/32/90/20/493329020.db2.gz FQXWDCGDRSAINP-MFKMUULPSA-N -1 3 355.341 0.220 10 0 FCAEHM O=C(CC[C@H]1NC(=O)[N-]C1=O)NC[C@H](CO)Cc1ccc(F)c(F)c1 ZINC000682980149 493329031 /nfs/dbraw/zinc/32/90/31/493329031.db2.gz FQXWDCGDRSAINP-ZWNOBZJWSA-N -1 3 355.341 0.220 10 0 FCAEHM Cc1cc(NC(=O)NCc2ncccc2[O-])n([C@H]2CCS(=O)(=O)C2)n1 ZINC000684222683 493401760 /nfs/dbraw/zinc/40/17/60/493401760.db2.gz RGEPHFXGJBYILD-NSHDSACASA-N -1 3 365.415 0.973 10 0 FCAEHM CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)c2cc(=O)c3ccccc3[n-]2)C1=O ZINC000674578000 493430047 /nfs/dbraw/zinc/43/00/47/493430047.db2.gz BLKMUYZMIABLET-JEOXALJRSA-N -1 3 368.393 0.978 10 0 FCAEHM C[C@@H]1C[C@H](NC(=O)NCC[N-]S(=O)(=O)c2cccs2)c2ncnn21 ZINC000661533986 493445584 /nfs/dbraw/zinc/44/55/84/493445584.db2.gz DGQKDQKXGIJPSR-ZJUUUORDSA-N -1 3 370.460 0.623 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)Nc1cnn(-c2ccncc2)c1 ZINC000675137626 493469583 /nfs/dbraw/zinc/46/95/83/493469583.db2.gz ZCCHLZJHISMRRF-UHFFFAOYSA-N -1 3 353.404 0.162 10 0 FCAEHM Cc1nc2ccnn2c(C)c1CCC(=O)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000662171958 493494633 /nfs/dbraw/zinc/49/46/33/493494633.db2.gz MMBVGOJCRIOXQM-UHFFFAOYSA-N -1 3 368.401 0.928 10 0 FCAEHM Cc1nc2ccnn2c(C)c1CCC(=O)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000662171958 493494636 /nfs/dbraw/zinc/49/46/36/493494636.db2.gz MMBVGOJCRIOXQM-UHFFFAOYSA-N -1 3 368.401 0.928 10 0 FCAEHM Cc1nc2ccnn2c(C)c1CCC(=O)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000662171958 493494639 /nfs/dbraw/zinc/49/46/39/493494639.db2.gz MMBVGOJCRIOXQM-UHFFFAOYSA-N -1 3 368.401 0.928 10 0 FCAEHM CCOCc1ccccc1CNC(=O)CN1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000662219566 493497288 /nfs/dbraw/zinc/49/72/88/493497288.db2.gz CONAEYUNSDLCAV-VQIMIIECSA-N -1 3 362.426 0.872 10 0 FCAEHM CC(C)(C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)n1cc(N)cn1 ZINC000662499468 493521009 /nfs/dbraw/zinc/52/10/09/493521009.db2.gz CSTXHVIBVZUOFM-UHFFFAOYSA-N -1 3 357.414 0.891 10 0 FCAEHM O=C(Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1)N1C[C@@H]2COC[C@H](C1)O2 ZINC000669960287 493536907 /nfs/dbraw/zinc/53/69/07/493536907.db2.gz YJCVIEHUDJBGLZ-MJBXVCDLSA-N -1 3 360.370 0.069 10 0 FCAEHM N[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)CC[C@H]1F ZINC000662750679 493537086 /nfs/dbraw/zinc/53/70/86/493537086.db2.gz XRISCVYTMMQBLO-HTQZYQBOSA-N -1 3 355.844 0.578 10 0 FCAEHM CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)NCc1nc(CN)cc(=O)[n-]1 ZINC000662751336 493537626 /nfs/dbraw/zinc/53/76/26/493537626.db2.gz AFPJAVLASORYCM-ONGXEEELSA-N -1 3 353.448 0.205 10 0 FCAEHM CC(C)(C(=O)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1)n1cc(N)cn1 ZINC000662796525 493542483 /nfs/dbraw/zinc/54/24/83/493542483.db2.gz NIHAKOABPJNTDF-CYBMUJFWSA-N -1 3 356.386 0.590 10 0 FCAEHM CCN1CC[C@@H](NC(=O)NCc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)C1=O ZINC000670119179 493547122 /nfs/dbraw/zinc/54/71/22/493547122.db2.gz HHFVIDQZZYIVNY-FZKQIMNGSA-N -1 3 373.413 0.161 10 0 FCAEHM Cn1cnc(S(=O)(=O)[N-]CC(=O)NCCC[C@H]2CCCC[C@@H]2O)c1 ZINC000676400579 493549530 /nfs/dbraw/zinc/54/95/30/493549530.db2.gz RDOVNHBGAFKMME-OLZOCXBDSA-N -1 3 358.464 0.146 10 0 FCAEHM CN(C)CCOc1ccc(CNC(=O)c2c[n-]n3c2nccc3=O)cc1 ZINC000670460296 493569711 /nfs/dbraw/zinc/56/97/11/493569711.db2.gz OOFFGYMMOBHSGV-UHFFFAOYSA-N -1 3 355.398 0.893 10 0 FCAEHM Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663253932 493580932 /nfs/dbraw/zinc/58/09/32/493580932.db2.gz CUJFNKZTZZJMDM-CQSZACIVSA-N -1 3 372.491 0.841 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2C[C@@H]3COC[C@]3(C)C2)s1 ZINC000663537682 493595062 /nfs/dbraw/zinc/59/50/62/493595062.db2.gz YPQDWVWHSAYPMM-YGRLFVJLSA-N -1 3 359.473 0.834 10 0 FCAEHM CN(C)[C@]1(CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CCSC1 ZINC000663622008 493605441 /nfs/dbraw/zinc/60/54/41/493605441.db2.gz TZJHDQYWOXTDJM-WBMJQRKESA-N -1 3 357.476 0.157 10 0 FCAEHM O=C([O-])[C@@H](CNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12)C1CCC1 ZINC000663628674 493606733 /nfs/dbraw/zinc/60/67/33/493606733.db2.gz GZFIGGDEXWZXOQ-SOUVJXGZSA-N -1 3 351.447 0.737 10 0 FCAEHM C[C@H](CNC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1)N1CCC[C@@H](C)C1 ZINC000663632557 493607225 /nfs/dbraw/zinc/60/72/25/493607225.db2.gz KBSKNRMEERVPIU-NFAWXSAZSA-N -1 3 353.463 0.840 10 0 FCAEHM C[C@H](Cn1cncn1)NC(=O)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1 ZINC000678338036 493641084 /nfs/dbraw/zinc/64/10/84/493641084.db2.gz VTRCRULFJAFFTP-ZWNOBZJWSA-N -1 3 357.374 0.239 10 0 FCAEHM Cn1nnnc1CC[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000678494292 493646578 /nfs/dbraw/zinc/64/65/78/493646578.db2.gz ZQLVRAWQFZAQKV-UHFFFAOYSA-N -1 3 350.429 0.855 10 0 FCAEHM Cn1cc(CCc2nc(-c3ccc([C@]4(C)NC(=O)[N-]C4=O)cc3)no2)nn1 ZINC000664733494 493680262 /nfs/dbraw/zinc/68/02/62/493680262.db2.gz KWUJPZJNIFSAKF-KRWDZBQOSA-N -1 3 367.369 0.705 10 0 FCAEHM CS(=O)(=O)CCCS(=O)(=O)[N-][C@H]1COc2cc(F)cc(F)c21 ZINC000680107789 493707870 /nfs/dbraw/zinc/70/78/70/493707870.db2.gz MQYFHIJMYUPHCN-JTQLQIEISA-N -1 3 355.384 0.752 10 0 FCAEHM O=C(NCC[C@H]1COc2ccccc2O1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000680611136 493726397 /nfs/dbraw/zinc/72/63/97/493726397.db2.gz ZWVMDOGERVHRMS-RYUDHWBXSA-N -1 3 360.370 0.162 10 0 FCAEHM COCc1cncc(C(=O)NCC[N-]S(=O)(=O)c2cccs2)c1 ZINC000680902241 493734704 /nfs/dbraw/zinc/73/47/04/493734704.db2.gz IVGFPKDKJALIRU-UHFFFAOYSA-N -1 3 355.441 0.998 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)CN2CCN(C3CC3)C2=O)s1 ZINC000665892943 493743075 /nfs/dbraw/zinc/74/30/75/493743075.db2.gz RVWCWTMBXVMREY-UHFFFAOYSA-N -1 3 372.472 0.172 10 0 FCAEHM COC[C@@](C)(CO)NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000681075789 493743416 /nfs/dbraw/zinc/74/34/16/493743416.db2.gz XNLKHDHJPXFWRJ-GOSISDBHSA-N -1 3 360.414 0.587 10 0 FCAEHM COC[C@@](C)(CO)NC(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000681078325 493744036 /nfs/dbraw/zinc/74/40/36/493744036.db2.gz KDDJCBBIMCKKME-CQSZACIVSA-N -1 3 366.386 0.147 10 0 FCAEHM C[C@H](COc1c(F)cccc1F)NC(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000666329913 493772692 /nfs/dbraw/zinc/77/26/92/493772692.db2.gz ZOZNEVRVVNGLAU-BXKDBHETSA-N -1 3 368.340 0.678 10 0 FCAEHM O=C(CN=c1[n-]c(C2CCOCC2)no1)NCCN1CCCCCC1 ZINC000413302957 534559686 /nfs/dbraw/zinc/55/96/86/534559686.db2.gz NJSUIWUJIUVUOB-UHFFFAOYSA-N -1 3 351.451 0.790 10 0 FCAEHM Cc1ncc(CN2CCN(C(=O)C(=O)[N-]c3cnns3)CC2)s1 ZINC000192043752 534735451 /nfs/dbraw/zinc/73/54/51/534735451.db2.gz BZHKUYROWYSQRJ-UHFFFAOYSA-N -1 3 352.445 0.586 10 0 FCAEHM CC1CN(C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C1 ZINC000412018283 528271333 /nfs/dbraw/zinc/27/13/33/528271333.db2.gz FCGZLPPWPFIFQS-UHFFFAOYSA-N -1 3 355.391 0.683 10 0 FCAEHM CCC[C@H](O)[C@H](CO)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000412531871 528318670 /nfs/dbraw/zinc/31/86/70/528318670.db2.gz ZBRSQQCKHWLHEZ-DRZSPHRISA-N -1 3 362.423 0.131 10 0 FCAEHM Cc1nc(S(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)c2ccnn2C)cn1C ZINC000592106552 546608321 /nfs/dbraw/zinc/60/83/21/546608321.db2.gz WCLLIWDEYXQIHM-ZDUSSCGKSA-N -1 3 369.447 0.823 10 0 FCAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)s1 ZINC000593300495 546699620 /nfs/dbraw/zinc/69/96/20/546699620.db2.gz NWMCLAQVTQGOGJ-LDWJRDSOSA-N -1 3 363.486 0.071 10 0 FCAEHM COC(=O)[C@H](CCF)[N-]S(=O)(=O)C1CN(C(=O)c2ccccc2)C1 ZINC000593633410 546724788 /nfs/dbraw/zinc/72/47/88/546724788.db2.gz GIMBZAQPFZXVIR-ZDUSSCGKSA-N -1 3 358.391 0.332 10 0 FCAEHM COC(=O)CC[C@H]([N-]S(=O)(=O)[C@@H]1CCO[C@@H]1C)C(=O)OC(C)(C)C ZINC000593614546 546727463 /nfs/dbraw/zinc/72/74/63/546727463.db2.gz CYYKKANMIDYCIE-GRYCIOLGSA-N -1 3 365.448 0.747 10 0 FCAEHM COC(=O)[C@H](CCF)NC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000593795022 546751117 /nfs/dbraw/zinc/75/11/17/546751117.db2.gz KSQPWXCVUOQIEH-ZBEGNZNMSA-N -1 3 351.334 0.372 10 0 FCAEHM COC(=O)[C@H](CCF)NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000593804857 546752757 /nfs/dbraw/zinc/75/27/57/546752757.db2.gz PWDYLRRRWUCXML-ZETCQYMHSA-N -1 3 372.827 0.697 10 0 FCAEHM COC(=O)[C@H](CCF)NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000593800997 546752863 /nfs/dbraw/zinc/75/28/63/546752863.db2.gz COCFTVGZBJXXDL-JTQLQIEISA-N -1 3 350.343 0.828 10 0 FCAEHM COC(=O)[C@@H](CCF)NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000593801002 546752908 /nfs/dbraw/zinc/75/29/08/546752908.db2.gz COCFTVGZBJXXDL-SNVBAGLBSA-N -1 3 350.343 0.828 10 0 FCAEHM COC(=O)[C@@H](CCF)NC(=O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000593807233 546753323 /nfs/dbraw/zinc/75/33/23/546753323.db2.gz IQBUQPAQAMZXET-LLVKDONJSA-N -1 3 364.370 0.512 10 0 FCAEHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@](C)(CO)OC ZINC000594483800 546795903 /nfs/dbraw/zinc/79/59/03/546795903.db2.gz FOQJLFIYGCVTOH-ZDUSSCGKSA-N -1 3 351.808 0.802 10 0 FCAEHM CC(C)(C)OC(=O)[C@H](Cc1ccncc1)[N-]S(=O)(=O)N1CCOCC1 ZINC000594491623 546797397 /nfs/dbraw/zinc/79/73/97/546797397.db2.gz KMIZSRBXMAKVEQ-AWEZNQCLSA-N -1 3 371.459 0.501 10 0 FCAEHM CCOC(=O)c1ccc(C[N-]S(=O)(=O)C[C@H](OC)[C@@H]2CCOC2)o1 ZINC000594763603 546820817 /nfs/dbraw/zinc/82/08/17/546820817.db2.gz VYJTZXUHBYDXQQ-RISCZKNCSA-N -1 3 361.416 0.927 10 0 FCAEHM CCOC(=O)c1ccc(C[N-]S(=O)(=O)C[C@H](OC)[C@H]2CCOC2)o1 ZINC000594763602 546820962 /nfs/dbraw/zinc/82/09/62/546820962.db2.gz VYJTZXUHBYDXQQ-FZMZJTMJSA-N -1 3 361.416 0.927 10 0 FCAEHM CO[C@H](CS(=O)(=O)[N-]C[C@@](C)(O)C(=O)OC(C)(C)C)[C@H]1CCOC1 ZINC000594767324 546821497 /nfs/dbraw/zinc/82/14/97/546821497.db2.gz DEZRNUQIDRZCQD-YWPYICTPSA-N -1 3 367.464 0.050 10 0 FCAEHM COC[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)OC)C1CCOCC1 ZINC000594799251 546826116 /nfs/dbraw/zinc/82/61/16/546826116.db2.gz KWOPDBCIUSWSMQ-SNVBAGLBSA-N -1 3 364.445 0.650 10 0 FCAEHM COC(=O)c1cccc(CS(=O)(=O)[N-]C[C@]2(OCCO)CCOC2)c1 ZINC000594818710 546831997 /nfs/dbraw/zinc/83/19/97/546831997.db2.gz YNMPWRJVQTUAPW-MRXNPFEDSA-N -1 3 373.427 0.061 10 0 FCAEHM COC(=O)[C@H](O)C(C)(C)[N-]S(=O)(=O)C[C@@H](OC)C1CCCCC1 ZINC000594778809 546832913 /nfs/dbraw/zinc/83/29/13/546832913.db2.gz ITXIHHFNKWMHBJ-OLZOCXBDSA-N -1 3 351.465 0.814 10 0 FCAEHM COC(=O)[C@@H](O)C(C)(C)[N-]S(=O)(=O)C[C@H](OC)C1CCCCC1 ZINC000594778810 546833001 /nfs/dbraw/zinc/83/30/01/546833001.db2.gz ITXIHHFNKWMHBJ-QWHCGFSZSA-N -1 3 351.465 0.814 10 0 FCAEHM COC(=O)[C@@H](CF)[N-]S(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2 ZINC000594779903 546833342 /nfs/dbraw/zinc/83/33/42/546833342.db2.gz UANZBNYDDMAGPY-SNVBAGLBSA-N -1 3 364.420 0.442 10 0 FCAEHM COCc1nc(C[N-]S(=O)(=O)c2ccc(C(=O)OC)c(F)c2)n[nH]1 ZINC000594826475 546837216 /nfs/dbraw/zinc/83/72/16/546837216.db2.gz AZIRVWVLBRPFKE-UHFFFAOYSA-N -1 3 358.351 0.355 10 0 FCAEHM COC(=O)[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000594824871 546837257 /nfs/dbraw/zinc/83/72/57/546837257.db2.gz TVZWOIABTSTKKU-WCBMZHEXSA-N -1 3 354.306 0.709 10 0 FCAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H](C)NS(C)(=O)=O)cc2)n1 ZINC000363297302 546889963 /nfs/dbraw/zinc/88/99/63/546889963.db2.gz ONTOXUMGQIJLPG-JTQLQIEISA-N -1 3 350.400 0.622 10 0 FCAEHM O=C(NCCc1cc(F)c(F)c(F)c1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000546846227 547047308 /nfs/dbraw/zinc/04/73/08/547047308.db2.gz JKTIQBPSGTYHGK-LLVKDONJSA-N -1 3 356.304 0.592 10 0 FCAEHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)CC2(C(=O)OC)CCC2)[C@@H]1n1cccn1 ZINC000550016961 547076826 /nfs/dbraw/zinc/07/68/26/547076826.db2.gz ACQZWOJIUMOHSK-MJBXVCDLSA-N -1 3 371.459 0.864 10 0 FCAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)c2cn(Cc3cccs3)nn2)nc1=N ZINC000550135265 547079567 /nfs/dbraw/zinc/07/95/67/547079567.db2.gz VSZOXSQJIIIQFS-LBPRGKRZSA-N -1 3 358.431 0.906 10 0 FCAEHM C[C@]1(C[C@H]2CCCN2C(=O)C2CN(CC(F)(F)F)C2)NC(=O)[N-]C1=O ZINC000553449664 547280392 /nfs/dbraw/zinc/28/03/92/547280392.db2.gz WBGPNXSQBUNTCC-QMTHXVAHSA-N -1 3 362.352 0.460 10 0 FCAEHM Cc1cc(CCNC(=O)CC[N-]S(=O)(=O)c2cn(C)c(C)n2)on1 ZINC000553572573 547290429 /nfs/dbraw/zinc/29/04/29/547290429.db2.gz JHLPNRBMYGDRBJ-UHFFFAOYSA-N -1 3 355.420 0.052 10 0 FCAEHM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000248658711 674537628 /nfs/dbraw/zinc/53/76/28/674537628.db2.gz YHRWNWVANGFVHH-SRVKXCTJSA-N -1 3 353.385 0.603 10 0 FCAEHM NC(=O)c1ccccc1OCC(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000729926741 665754477 /nfs/dbraw/zinc/75/44/77/665754477.db2.gz MDADYASCFOREMC-UHFFFAOYSA-N -1 3 362.363 0.726 10 0 FCAEHM C[C@@H]([N-]S(=O)(=O)c1cnn(C)c1I)C(C)(C)O ZINC000866837302 663136546 /nfs/dbraw/zinc/13/65/46/663136546.db2.gz AAVBUZFWOZJFOL-ZCFIWIBFSA-N -1 3 373.216 0.462 10 0 FCAEHM C[C@H](CO)[C@H](C)[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866855654 663466522 /nfs/dbraw/zinc/46/65/22/663466522.db2.gz RNCUQEXFKWQRJF-RQJHMYQMSA-N -1 3 373.216 0.320 10 0 FCAEHM O=C1NCC[C@@H]1[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000849409528 663550620 /nfs/dbraw/zinc/55/06/20/663550620.db2.gz ALEYYKUKZWNSPE-ZETCQYMHSA-N -1 3 354.613 0.664 10 0 FCAEHM CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436518688 665983621 /nfs/dbraw/zinc/98/36/21/665983621.db2.gz SGPUZRJMWYZMAM-KOLCDFICSA-N -1 3 356.400 0.569 10 0 FCAEHM COCCCS(=O)(=O)[N-]Cc1nc(-c2cc(C(=O)OC)co2)no1 ZINC000904952468 665994762 /nfs/dbraw/zinc/99/47/62/665994762.db2.gz YQAYCRDQXJGFFU-UHFFFAOYSA-N -1 3 359.360 0.572 10 0 FCAEHM COC(=O)N1CCC[C@@H]([N-]S(=O)(=O)c2c(C)nn(C)c2Cl)C1 ZINC000726599111 664921781 /nfs/dbraw/zinc/92/17/81/664921781.db2.gz LXCBCJALVAMPHZ-SECBINFHSA-N -1 3 350.828 0.891 10 0 FCAEHM CN(CCS(C)(=O)=O)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000728081702 665121744 /nfs/dbraw/zinc/12/17/44/665121744.db2.gz NQOZCZQQQYEEQZ-ZDUSSCGKSA-N -1 3 354.428 0.500 10 0 FCAEHM CC[S@](C)(=O)=NS(=O)(=O)[N-]C1CCN(CCOC(C)C)CC1 ZINC000866908540 665140943 /nfs/dbraw/zinc/14/09/43/665140943.db2.gz MWBRYCDRKHHWAE-NRFANRHFSA-N -1 3 355.526 0.828 10 0 FCAEHM CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)c2cc3c(cc2[O-])OCO3)C1 ZINC000436815425 666034005 /nfs/dbraw/zinc/03/40/05/666034005.db2.gz OKAYMKUZRFQXRX-SNVBAGLBSA-N -1 3 356.400 0.617 10 0 FCAEHM CN1CCOC[C@]1(CO)C[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000921340166 666437405 /nfs/dbraw/zinc/43/74/05/666437405.db2.gz XFDPUZDYKZPDQR-CYBMUJFWSA-N -1 3 352.815 0.451 10 0 FCAEHM CCOC(=O)[C@H](COC)[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000921379563 666442314 /nfs/dbraw/zinc/44/23/14/666442314.db2.gz GJIANLCYQJKBQG-VIFPVBQESA-N -1 3 367.221 0.701 10 0 FCAEHM CO[C@]1(C[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)CCS(=O)(=O)C1 ZINC000921466219 666449437 /nfs/dbraw/zinc/44/94/37/666449437.db2.gz WKIAQJIUSREOKS-LBPRGKRZSA-N -1 3 373.374 0.586 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCNC(=O)CC2(C)C)ccc1F ZINC000913064568 666493628 /nfs/dbraw/zinc/49/36/28/666493628.db2.gz CRSVRPMGHBSIMZ-UHFFFAOYSA-N -1 3 357.407 0.475 10 0 FCAEHM CC1(C)COc2c(S(=O)(=O)[N-]CC[C@@H](O)C(F)(F)F)cnn2C1 ZINC000914160907 666711504 /nfs/dbraw/zinc/71/15/04/666711504.db2.gz NESZWRCUEAZHQO-SECBINFHSA-N -1 3 357.354 0.893 10 0 FCAEHM O=C1NCCOc2c1cc(Br)cc2S(=O)(=O)[N-]CCF ZINC000915190123 666825479 /nfs/dbraw/zinc/82/54/79/666825479.db2.gz JSYMSJSAESGYFQ-UHFFFAOYSA-N -1 3 367.196 0.819 10 0 FCAEHM CC[C@@H]([N-]S(=O)(=O)c1cnn2c1OCC(C)(C)C2)[C@H](O)C(F)F ZINC000916033589 666988713 /nfs/dbraw/zinc/98/87/13/666988713.db2.gz ZMROAHVMZTVDAN-SCZZXKLOSA-N -1 3 353.391 0.985 10 0 FCAEHM CO[C@@H]1COC[C@@H]1[N-]S(=O)(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000916279591 666998222 /nfs/dbraw/zinc/99/82/22/666998222.db2.gz JFOSBKJGTFVJHI-FRRDWIJNSA-N -1 3 364.464 0.719 10 0 FCAEHM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000921585348 667140240 /nfs/dbraw/zinc/14/02/40/667140240.db2.gz CPSQMTIYUJAHRE-KRNBLGIKSA-N -1 3 367.415 0.895 10 0 FCAEHM O=S(=O)(Cc1c(F)cccc1F)[N-][C@H](CO)CN1CCOCC1 ZINC000918981004 667145886 /nfs/dbraw/zinc/14/58/86/667145886.db2.gz PQLGLILCHXNOLJ-NSHDSACASA-N -1 3 350.387 0.077 10 0 FCAEHM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]Cc1cn(C)nc1Br ZINC000920958466 667260696 /nfs/dbraw/zinc/26/06/96/667260696.db2.gz AULVBRNUILILSF-GOSISDBHSA-N -1 3 374.286 0.091 10 0 FCAEHM COC(=O)c1ccc(S(=O)(=O)[N-]CC[C@@H]2CC(=O)N(C)C2)c(F)c1 ZINC000921060293 667267043 /nfs/dbraw/zinc/26/70/43/667267043.db2.gz XQDMQOBBSOPLBQ-SNVBAGLBSA-N -1 3 358.391 0.759 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)ccc1F ZINC000752411938 667514590 /nfs/dbraw/zinc/51/45/90/667514590.db2.gz DTJYRPDNLBRHAG-GXSJLCMTSA-N -1 3 357.407 0.460 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCC[C@H](O)C(F)(F)F)ccc1F ZINC000752628473 667523649 /nfs/dbraw/zinc/52/36/49/667523649.db2.gz BNIYWMJKVHJUFQ-JTQLQIEISA-N -1 3 358.313 0.777 10 0 FCAEHM CC[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C(=O)OC ZINC000752776476 667528298 /nfs/dbraw/zinc/52/82/98/667528298.db2.gz CBHSRIMOVPGKFP-GFCCVEGCSA-N -1 3 358.391 0.948 10 0 FCAEHM CCC1(CC)CNC(=O)[C@H]1[N-]S(=O)(=O)C[C@H](OC)C1CCOCC1 ZINC000922037724 667572381 /nfs/dbraw/zinc/57/23/81/667572381.db2.gz FMAQZYJPNKVOPN-UONOGXRCSA-N -1 3 362.492 0.652 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)OC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000922525085 667662205 /nfs/dbraw/zinc/66/22/05/667662205.db2.gz LHZYSBVNTAGBMW-VHSXEESVSA-N -1 3 363.354 0.595 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)OC[C@@H](C)CS(C)(=O)=O)ccc1F ZINC000758046160 667742477 /nfs/dbraw/zinc/74/24/77/667742477.db2.gz IXVKTQAUPIEBRW-SECBINFHSA-N -1 3 367.420 0.571 10 0 FCAEHM Cc1nc(CNC(=O)C[C@@H](C)[N-]S(=O)(=O)c2cccnc2Cl)no1 ZINC000760595097 667855561 /nfs/dbraw/zinc/85/55/61/667855561.db2.gz UQSUDLAGOJALHM-MRVPVSSYSA-N -1 3 373.822 0.800 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]C[C@H](Cc2ccc(F)cc2)C(N)=O)nc1Cl ZINC000760857991 667866753 /nfs/dbraw/zinc/86/67/53/667866753.db2.gz NNJLDBRLERMSKJ-JTQLQIEISA-N -1 3 374.825 0.835 10 0 FCAEHM CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)Cc2nc(C)cc(=O)[n-]2)C1 ZINC000761863486 667896537 /nfs/dbraw/zinc/89/65/37/667896537.db2.gz AUNLZMITUUXFPM-CYBMUJFWSA-N -1 3 350.419 0.724 10 0 FCAEHM C[C@H]([N-]S(=O)(=O)c1cn(C)nc1Br)[C@@H]1CN(C)CCO1 ZINC000866986926 667932554 /nfs/dbraw/zinc/93/25/54/667932554.db2.gz AZRJTXSAGOUVDZ-IUCAKERBSA-N -1 3 367.269 0.180 10 0 FCAEHM CN(C)c1nc(C(=O)NCCS(=O)(=O)Cc2ccccc2)cc(=O)[n-]1 ZINC000765254364 668003823 /nfs/dbraw/zinc/00/38/23/668003823.db2.gz XIMMPQWJRCZLAR-UHFFFAOYSA-N -1 3 364.427 0.593 10 0 FCAEHM CCOC(=O)N(C)C1CCN(C(=O)c2cc(=O)[n-]c(N(C)C)n2)CC1 ZINC000765292313 668004517 /nfs/dbraw/zinc/00/45/17/668004517.db2.gz DNYYMASZFPXQNM-UHFFFAOYSA-N -1 3 351.407 0.941 10 0 FCAEHM O=C(O[C@@H]1CCCNC1=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000767280341 668048853 /nfs/dbraw/zinc/04/88/53/668048853.db2.gz GZYAAMZLOUWNOL-GFCCVEGCSA-N -1 3 356.375 0.702 10 0 FCAEHM CCOCCS(=O)(=O)[N-]CC(=O)OCc1cc(-c2cnn(C)c2)no1 ZINC000769113190 668117360 /nfs/dbraw/zinc/11/73/60/668117360.db2.gz ISPQBDDWYZTVOD-UHFFFAOYSA-N -1 3 372.403 0.074 10 0 FCAEHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)O[C@@H]2CCNC2=O)ccc1F ZINC000770000302 668167130 /nfs/dbraw/zinc/16/71/30/668167130.db2.gz SGGCIGRUPLLEIK-LLVKDONJSA-N -1 3 358.391 0.948 10 0 FCAEHM CNC(=O)c1cncc(C=CC(=O)NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000775909837 668237046 /nfs/dbraw/zinc/23/70/46/668237046.db2.gz GPVGNASPAJFJMW-NSCUHMNNSA-N -1 3 354.292 0.908 10 0 FCAEHM CCN1CCN(c2ccc(C(=O)[N-]S(=O)(=O)[C@@H]3CCOC3)cc2)CC1 ZINC000777319625 668319807 /nfs/dbraw/zinc/31/98/07/668319807.db2.gz JTLWYYYCFDXWTK-MRXNPFEDSA-N -1 3 367.471 0.677 10 0 FCAEHM CC[C@@H](C(=O)[N-]S(=O)(=O)c1scnc1C(=O)OC)N(CC)CC ZINC000778725944 668384165 /nfs/dbraw/zinc/38/41/65/668384165.db2.gz WWAQFWKZMYPFAJ-VIFPVBQESA-N -1 3 363.461 0.855 10 0 FCAEHM C[C@H](CO[N-]C(=O)CCSc1nnnn1C)NC(=O)OC(C)(C)C ZINC000783658446 668625517 /nfs/dbraw/zinc/62/55/17/668625517.db2.gz FWVQTAYXUQQXGB-SECBINFHSA-N -1 3 360.440 0.653 10 0 FCAEHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]CCCn1ccnn1 ZINC000784418641 668655524 /nfs/dbraw/zinc/65/55/24/668655524.db2.gz RFYKEMFJWCRTNB-UHFFFAOYSA-N -1 3 359.795 0.482 10 0 FCAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](CO)C[C@H](O)C(C)(C)C ZINC000790383908 668875974 /nfs/dbraw/zinc/87/59/74/668875974.db2.gz BJTBSALHJMOGSN-ZJUUUORDSA-N -1 3 353.872 0.818 10 0 FCAEHM CC(C)OCCS(=O)(=O)[N-]CC(=O)O[C@@H]1CCN(C(C)(C)C)C1=O ZINC000820415862 669092844 /nfs/dbraw/zinc/09/28/44/669092844.db2.gz HBYIJGMNGFXOQO-GFCCVEGCSA-N -1 3 364.464 0.273 10 0 FCAEHM CC(C(=O)[N-]S(=O)(=O)C1CCCCC1)S(=O)(=O)C1CCOCC1 ZINC000796917505 669138884 /nfs/dbraw/zinc/13/88/84/669138884.db2.gz KFTKBVLQPRJNHB-LLVKDONJSA-N -1 3 367.489 0.747 10 0 FCAEHM CC(C(=O)[N-]S(=O)(=O)CC(C)(C)C)S(=O)(=O)C1CCOCC1 ZINC000797022891 669145974 /nfs/dbraw/zinc/14/59/74/669145974.db2.gz HAVXVUCANYVFEA-JTQLQIEISA-N -1 3 355.478 0.461 10 0 FCAEHM O=C([C@@H]1CC[C@H](CN2CCOCC2)O1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000823803622 669361234 /nfs/dbraw/zinc/36/12/34/669361234.db2.gz DZGBADIWAJRYOS-GUTXKFCHSA-N -1 3 350.419 0.311 10 0 FCAEHM CN(C)C(=O)c1cc(S(=O)(=O)[N-]CC(F)(F)Br)cn1C ZINC000808573506 669574676 /nfs/dbraw/zinc/57/46/76/669574676.db2.gz YHRUTOUJLOXRRS-UHFFFAOYSA-N -1 3 374.207 0.993 10 0 FCAEHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]CCCc2ncn(C)n2)c1 ZINC000827930677 669603202 /nfs/dbraw/zinc/60/32/02/669603202.db2.gz ODBCPJXQIKJXLQ-UHFFFAOYSA-N -1 3 356.379 0.652 10 0 FCAEHM CC[C@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC)C(=O)OC ZINC000828048618 669612306 /nfs/dbraw/zinc/61/23/06/669612306.db2.gz DCGJXEKCTSGNGG-MRVPVSSYSA-N -1 3 364.807 0.999 10 0 FCAEHM COc1cccc(C(=O)COC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)n1 ZINC000811155998 669738031 /nfs/dbraw/zinc/73/80/31/669738031.db2.gz QIBROCTXZJXFST-ZDUSSCGKSA-N -1 3 358.416 0.780 10 0 FCAEHM CC(C)NC(=O)CNC(=S)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000811721043 669765334 /nfs/dbraw/zinc/76/53/34/669765334.db2.gz MXDZSNXXDXBOGW-UHFFFAOYSA-N -1 3 351.432 0.394 10 0 FCAEHM COC[C@H]([N-]C(=O)C(F)(F)n1cc(-c2ccccc2)nn1)C(=O)OC ZINC000831812693 669869541 /nfs/dbraw/zinc/86/95/41/669869541.db2.gz VUTOKHVVVYYIKL-LBPRGKRZSA-N -1 3 354.313 0.799 10 0 FCAEHM O=C1OCCN1CCC[N-]S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC000814382509 669881675 /nfs/dbraw/zinc/88/16/75/669881675.db2.gz ORWDJVKSGWDMPP-UHFFFAOYSA-N -1 3 360.779 0.997 10 0 FCAEHM CC(C)(O)CO[N-]C(=O)Cc1cscc1C(=O)NOCC(C)(C)O ZINC000834618086 669967176 /nfs/dbraw/zinc/96/71/76/669967176.db2.gz BAQICPITFRUDPZ-UHFFFAOYSA-N -1 3 360.432 0.542 10 0 FCAEHM COCCN1CC[C@@H]([N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)C1 ZINC000867147457 670020016 /nfs/dbraw/zinc/02/00/16/670020016.db2.gz GPDNDYUXFNECFT-SECBINFHSA-N -1 3 356.370 0.438 10 0 FCAEHM COCCN1CC[C@H]([N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)C1 ZINC000867147458 670020268 /nfs/dbraw/zinc/02/02/68/670020268.db2.gz GPDNDYUXFNECFT-VIFPVBQESA-N -1 3 356.370 0.438 10 0 FCAEHM COc1nccc(COC(=O)c2ccc(S(=O)(=O)[N-]CCO)s2)n1 ZINC000837542806 670114309 /nfs/dbraw/zinc/11/43/09/670114309.db2.gz VSVPXBQWGWBTOF-UHFFFAOYSA-N -1 3 373.412 0.174 10 0 FCAEHM COC[C@H](CC[N-]S(=O)(=O)c1cn(C)nc1Br)OC ZINC000867497058 670524388 /nfs/dbraw/zinc/52/43/88/670524388.db2.gz LYGKJWUCQILKPS-QMMMGPOBSA-N -1 3 356.242 0.512 10 0 FCAEHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H]2CCNC(=O)CC2)c1 ZINC000841563050 670595108 /nfs/dbraw/zinc/59/51/08/670595108.db2.gz OMGHMKOITIGOGV-LLVKDONJSA-N -1 3 358.391 0.949 10 0 FCAEHM CO[C@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867346286 670895410 /nfs/dbraw/zinc/89/54/10/670895410.db2.gz XLNVFVZEBXIVSY-IUCAKERBSA-N -1 3 368.253 0.512 10 0 FCAEHM CO[C@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867346284 670895485 /nfs/dbraw/zinc/89/54/85/670895485.db2.gz XLNVFVZEBXIVSY-BDAKNGLRSA-N -1 3 368.253 0.512 10 0 FCAEHM CC(C)OCCS(=O)(=O)[N-]CC(=O)OCC(=O)c1ccccc1O ZINC000845129214 670968234 /nfs/dbraw/zinc/96/82/34/670968234.db2.gz ZWZFIEQGSKPXAA-UHFFFAOYSA-N -1 3 359.400 0.463 10 0 FCAEHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](CCF)C(=O)OC)c1 ZINC000845975160 671059576 /nfs/dbraw/zinc/05/95/76/671059576.db2.gz GSRYHQOCSXGDBU-SNVBAGLBSA-N -1 3 351.327 0.792 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2C[C@@H](C(N)=O)C2)ccc1F ZINC000846440315 671110828 /nfs/dbraw/zinc/11/08/28/671110828.db2.gz NOJWGDHZLZNZNJ-PHIMTYICSA-N -1 3 357.407 0.506 10 0 FCAEHM O=C(C[N-]C(=O)C(F)(F)n1cc(-c2ccccc2)nn1)NCC(F)F ZINC000846988286 671165307 /nfs/dbraw/zinc/16/53/07/671165307.db2.gz VJWMPYUOVDVOJR-UHFFFAOYSA-N -1 3 359.283 0.992 10 0 FCAEHM CO[C@](C)(CO)CNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC000848264245 671264016 /nfs/dbraw/zinc/26/40/16/671264016.db2.gz BUSTXVUBOXFQSF-INIZCTEOSA-N -1 3 351.334 0.001 10 0 FCAEHM CO[C@](C)(CO)CNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000848264245 671264020 /nfs/dbraw/zinc/26/40/20/671264020.db2.gz BUSTXVUBOXFQSF-INIZCTEOSA-N -1 3 351.334 0.001 10 0 FCAEHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@H](C)Cn2cncn2)c1 ZINC000848434490 671274824 /nfs/dbraw/zinc/27/48/24/671274824.db2.gz JWXQNXQTLOJNLZ-SNVBAGLBSA-N -1 3 356.379 0.879 10 0 FCAEHM CO[C@@H]1CCC[C@@H]([C@H](CO)[N-]S(=O)(=O)c2cn(C)c(Cl)n2)C1 ZINC000849422615 671341204 /nfs/dbraw/zinc/34/12/04/671341204.db2.gz CRDZXUSPLVHYST-MXWKQRLJSA-N -1 3 351.856 0.918 10 0 FCAEHM CO[C@H](COC(=O)C[N-]S(=O)(=O)c1c(C)noc1C)[C@H]1CCOC1 ZINC000849641643 671356159 /nfs/dbraw/zinc/35/61/59/671356159.db2.gz BLSJXAORZVOPEL-NWDGAFQWSA-N -1 3 362.404 0.164 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)OCCO[C@@H]1CC1(F)F ZINC000849641693 671356266 /nfs/dbraw/zinc/35/62/66/671356266.db2.gz BYWPUTXJJPIWIM-SECBINFHSA-N -1 3 354.331 0.537 10 0 FCAEHM Cc1cc(S(=O)(=O)[N-]C2(CS(C)(=O)=O)COC2)c(F)cc1F ZINC000903176803 675918780 /nfs/dbraw/zinc/91/87/80/675918780.db2.gz UPBDKYWMVXBXCE-UHFFFAOYSA-N -1 3 355.384 0.365 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](Cn3ccnn3)C2)ccc1F ZINC000855239955 671631221 /nfs/dbraw/zinc/63/12/21/671631221.db2.gz KPJUFCWZTSJPPJ-NSHDSACASA-N -1 3 367.406 0.488 10 0 FCAEHM CCOC(=O)[C@@]1(F)CN(C(=O)c2[nH]c(=O)[n-]c(=O)c2N)CC12CCC2 ZINC000855246931 671632102 /nfs/dbraw/zinc/63/21/02/671632102.db2.gz XGGOHKYVXSJHCD-HNNXBMFYSA-N -1 3 354.338 0.368 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@H](C)n3ncnc32)ccc1F ZINC000855328141 671636687 /nfs/dbraw/zinc/63/66/87/671636687.db2.gz PPQCAJWTWJDCEI-GZMMTYOYSA-N -1 3 353.379 0.761 10 0 FCAEHM COC(=O)C1CC2(C1)CN(CC(=O)N1CCCC[C@H]1C)C[C@H]2C(=O)[O-] ZINC000903411616 675929365 /nfs/dbraw/zinc/92/93/65/675929365.db2.gz PTCHRFLKSPFPGQ-VUULHSHRSA-N -1 3 352.431 0.973 10 0 FCAEHM O=S(=O)([N-]CC[C@H]1CNCCS1(=O)=O)c1cc(F)c(F)c(F)c1 ZINC000903540168 675940711 /nfs/dbraw/zinc/94/07/11/675940711.db2.gz BARIGEVBTVSLEJ-QMMMGPOBSA-N -1 3 372.390 0.159 10 0 FCAEHM O=S(=O)([N-]CC[C@@H]1CNCCS1(=O)=O)c1ccc(F)cc1F ZINC000903541332 675941119 /nfs/dbraw/zinc/94/11/19/675941119.db2.gz KXFSPMUICVWHFT-SNVBAGLBSA-N -1 3 354.400 0.020 10 0 FCAEHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C[C@@H](O)[C@@H]2CCCO2)c1F ZINC000859284811 671809155 /nfs/dbraw/zinc/80/91/55/671809155.db2.gz RGWBMTZBZDXCFW-ZJUUUORDSA-N -1 3 365.354 0.570 10 0 FCAEHM COC(=O)[C@@H](C[C@H]1CCCOC1)[N-]S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000859342032 671817799 /nfs/dbraw/zinc/81/77/99/671817799.db2.gz MKZURMBFGIQGHN-NXEZZACHSA-N -1 3 365.839 0.710 10 0 FCAEHM CCO[C@@H](COC(=O)c1ccc(S(=O)(=O)[N-]CCO)s1)C1CC1 ZINC000859565506 671837279 /nfs/dbraw/zinc/83/72/79/671837279.db2.gz LUAVZNOBOGBHET-NSHDSACASA-N -1 3 363.457 0.991 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)OCC(=O)C(=O)OC(C)(C)C)c(C)o1 ZINC000859585710 671837998 /nfs/dbraw/zinc/83/79/98/671837998.db2.gz UYDXGECETLPKLJ-UHFFFAOYSA-N -1 3 361.372 0.564 10 0 FCAEHM CO[C@@H]1CN(C)[C@](C)(COC(=O)c2ccc([N-]S(C)(=O)=O)nc2)C1 ZINC000861358716 671956670 /nfs/dbraw/zinc/95/66/70/671956670.db2.gz YUAXBTOMHZSBTN-WFASDCNBSA-N -1 3 357.432 0.719 10 0 FCAEHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2COCCC2=O)ccc1F ZINC000862932885 672087646 /nfs/dbraw/zinc/08/76/46/672087646.db2.gz VHEFICSDVGVILQ-LBPRGKRZSA-N -1 3 358.391 0.600 10 0 FCAEHM CNS(=O)(=O)C[C@@H]1CCCN(C(=O)c2nnc3ccccc3c2[O-])C1 ZINC000863825335 672156435 /nfs/dbraw/zinc/15/64/35/672156435.db2.gz NIOPYWLDVVHVOJ-LLVKDONJSA-N -1 3 364.427 0.737 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@@](C)(COC)C2)ccc1F ZINC000863830565 672158022 /nfs/dbraw/zinc/15/80/22/672158022.db2.gz YSHFOJFTYQOGSO-OAHLLOKOSA-N -1 3 360.407 0.611 10 0 FCAEHM C[C@H](CO[N-]C(=O)Cc1ccc(C(N)=O)nc1)NC(=O)OC(C)(C)C ZINC000863902577 672160514 /nfs/dbraw/zinc/16/05/14/672160514.db2.gz REMBWMQYNCWJEW-SNVBAGLBSA-N -1 3 352.391 0.684 10 0 FCAEHM O=S(=O)(Cc1ncsc1Br)[N-]C[C@H]1COCCO1 ZINC000866559838 672282256 /nfs/dbraw/zinc/28/22/56/672282256.db2.gz MNBXPWIIXHAMKY-ZETCQYMHSA-N -1 3 357.251 0.740 10 0 FCAEHM COCC[C@H](C)[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866689634 672288481 /nfs/dbraw/zinc/28/84/81/672288481.db2.gz PBFQHOFSWXCVSZ-ZETCQYMHSA-N -1 3 373.216 0.728 10 0 FCAEHM COCCN1CCC[C@@H]1C[N-]S(=O)(=O)c1nc[nH]c1Br ZINC000866724548 672293344 /nfs/dbraw/zinc/29/33/44/672293344.db2.gz NPDFCQXYFXHPAP-SECBINFHSA-N -1 3 367.269 0.561 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-]CC2(C)COC2)c1I ZINC000866781252 672304827 /nfs/dbraw/zinc/30/48/27/672304827.db2.gz NCVNOCUEXTWDNH-UHFFFAOYSA-N -1 3 371.200 0.340 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CC[C@]2(O)CCOC2)c(Br)n1 ZINC000867460649 672319777 /nfs/dbraw/zinc/31/97/77/672319777.db2.gz SCDKJURARVDWRB-JTQLQIEISA-N -1 3 354.226 0.002 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]CC[C@@]2(O)CCOC2)c(Br)n1 ZINC000867460650 672319805 /nfs/dbraw/zinc/31/98/05/672319805.db2.gz SCDKJURARVDWRB-SNVBAGLBSA-N -1 3 354.226 0.002 10 0 FCAEHM CCN(CC)C(=O)CN1CCC([N-]S(=O)(=O)c2ccc(C)nn2)CC1 ZINC000867473743 672321923 /nfs/dbraw/zinc/32/19/23/672321923.db2.gz MHVCLDGWESPMKO-UHFFFAOYSA-N -1 3 369.491 0.396 10 0 FCAEHM CO[C@@H](C[N-]S(=O)(=O)c1cn(C)nc1Br)[C@@H]1CCOC1 ZINC000867496842 672325946 /nfs/dbraw/zinc/32/59/46/672325946.db2.gz IRWCZFNSWQPATH-BDAKNGLRSA-N -1 3 368.253 0.512 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-][C@H]2CCCC23OCCO3)c(Br)n1 ZINC000867527739 672331654 /nfs/dbraw/zinc/33/16/54/672331654.db2.gz JKCVMBSNDDFRGP-VIFPVBQESA-N -1 3 366.237 0.757 10 0 FCAEHM Cn1cc(S(=O)(=O)[N-]C[C@@H](O)[C@@H]2CCCO2)c(Br)n1 ZINC000867556971 672336435 /nfs/dbraw/zinc/33/64/35/672336435.db2.gz JWLIMPVVXZIDBA-SFYZADRCSA-N -1 3 354.226 0.001 10 0 FCAEHM Cn1ncc(S(=O)(=O)[N-]C[C@H](O)[C@@H]2CCCO2)c1Br ZINC000867558187 672336649 /nfs/dbraw/zinc/33/66/49/672336649.db2.gz WOHVEMVANSHKER-YUMQZZPRSA-N -1 3 354.226 0.001 10 0 FCAEHM O=C1OC[C@]2(C[N-]S(=O)(=O)c3cc(F)c(F)c(F)c3)COCCN12 ZINC000867748421 672362419 /nfs/dbraw/zinc/36/24/19/672362419.db2.gz FXXPRVKIADRXIW-ZDUSSCGKSA-N -1 3 366.317 0.603 10 0 FCAEHM COC(=O)[C@@H](CCC1OCCO1)[N-]S(=O)(=O)CCc1ccccc1 ZINC000867762557 672364595 /nfs/dbraw/zinc/36/45/95/672364595.db2.gz FOHSXRCDLYKYQE-CQSZACIVSA-N -1 3 357.428 0.843 10 0 FCAEHM COC(=O)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000867774796 672366369 /nfs/dbraw/zinc/36/63/69/672366369.db2.gz KLPHZXBQEORVHQ-JMCQJSRRSA-N -1 3 353.318 0.960 10 0 FCAEHM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000868332332 672394015 /nfs/dbraw/zinc/39/40/15/672394015.db2.gz DEPGKQRYESUGQV-HUUCEWRRSA-N -1 3 351.447 0.787 10 0 FCAEHM O=C([N-]OCCCC(F)(F)F)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000871210685 672536288 /nfs/dbraw/zinc/53/62/88/672536288.db2.gz VQWUDETWDCLPBU-UHFFFAOYSA-N -1 3 353.322 0.874 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCC[C@H](C)[S@@](C)=O)ccc1F ZINC000134847595 673456621 /nfs/dbraw/zinc/45/66/21/673456621.db2.gz ZKDQQVVUBZRZRA-FPVGNUTFSA-N -1 3 350.437 0.621 10 0 FCAEHM O=C1C[C@@H](S(=O)(=O)[N-]C[C@]2(C(F)(F)F)CCCN2)CN1C1CC1 ZINC000923685853 673466672 /nfs/dbraw/zinc/46/66/72/673466672.db2.gz PDRIWLXGUQCXLY-PWSUYJOCSA-N -1 3 355.382 0.354 10 0 FCAEHM CCN1C(=O)C[C@@H](C[N-]S(=O)(=O)c2ccco2)[C@@H]1c1nccn1C ZINC000886062992 673556344 /nfs/dbraw/zinc/55/63/44/673556344.db2.gz BLZFBFBJYTYFNP-SMDDNHRTSA-N -1 3 352.416 0.901 10 0 FCAEHM COc1cccc(Br)c1CS(=O)(=O)[N-][C@H]1CNOC1 ZINC000923728136 673739029 /nfs/dbraw/zinc/73/90/29/673739029.db2.gz CPYZVBLLVNKKGU-QMMMGPOBSA-N -1 3 351.222 0.781 10 0 FCAEHM CC[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000926327388 673823371 /nfs/dbraw/zinc/82/33/71/673823371.db2.gz VTDNENRIDVIWQT-KDOFPFPSSA-N -1 3 351.447 0.787 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@@H](C(F)F)C2)ccc1F ZINC000801115412 675739032 /nfs/dbraw/zinc/73/90/32/675739032.db2.gz OHFCMLKUPSSTRX-SNVBAGLBSA-N -1 3 352.334 0.840 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)c2ccccc2[O-])CCN1C(=O)CCCS(N)(=O)=O ZINC001719599191 1169147989 /nfs/dbraw/zinc/14/79/89/1169147989.db2.gz RQUHFSPSDJMHFX-YPMHNXCESA-N -1 3 369.443 0.180 10 0 FCAEHM Cc1cc(CCC(=O)N[C@H]2CCN(C(=O)c3cnc[n-]c3=O)[C@@H]2C)no1 ZINC001719643223 1171430795 /nfs/dbraw/zinc/43/07/95/1171430795.db2.gz HBOLOINERUEVKE-RISCZKNCSA-N -1 3 359.386 0.831 10 0 FCAEHM CCNC(=O)CC(=O)N1C[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@]2(C)C1 ZINC001719676731 1179325691 /nfs/dbraw/zinc/32/56/91/1179325691.db2.gz DQXICPIMQHLBCU-YJYMSZOUSA-N -1 3 359.426 0.839 10 0 FCAEHM CO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O)C1CCC1 ZINC001719848478 1186361713 /nfs/dbraw/zinc/36/17/13/1186361713.db2.gz ZCLIFENMFVQKGE-UNQGMJICSA-N -1 3 360.414 0.859 10 0 FCAEHM COCC1(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NC(=O)c3cn[n-]n3)C2)CC1 ZINC001719963053 1191237973 /nfs/dbraw/zinc/23/79/73/1191237973.db2.gz OKLSFTNLUVYZHD-PSASIEDQSA-N -1 3 361.324 0.350 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000898733570 1194071452 /nfs/dbraw/zinc/07/14/52/1194071452.db2.gz HVIQDIWTWHRDHA-PWSUYJOCSA-N -1 3 364.352 0.946 10 0 FCAEHM O=Cc1ccc(OC(F)(F)C(=O)[N-][C@H]2C(=O)NCC23CCOCC3)cc1 ZINC000923948306 1194284619 /nfs/dbraw/zinc/28/46/19/1194284619.db2.gz MXTRMWDXZLSQEN-ZDUSSCGKSA-N -1 3 368.336 0.882 10 0 FCAEHM C/C(=C\C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)CN1CCOCC1 ZINC000908304465 1195738961 /nfs/dbraw/zinc/73/89/61/1195738961.db2.gz VNAFRYFVJVWOEG-XYOKQWHBSA-N -1 3 360.414 0.800 10 0 FCAEHM CSc1nc(CNC(=O)c2cccc(N3CCN(C)CC3)n2)cc(=O)[n-]1 ZINC000912249345 1196337212 /nfs/dbraw/zinc/33/72/12/1196337212.db2.gz PGSZODPYZKOIBB-UHFFFAOYSA-N -1 3 374.470 0.981 10 0 FCAEHM O=C(COC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])N1CCOCC1 ZINC000046333518 1196611786 /nfs/dbraw/zinc/61/17/86/1196611786.db2.gz XDOGGHNOHDWRJB-CQSZACIVSA-N -1 3 362.382 0.399 10 0 FCAEHM Cc1nnnn1[C@H](Cc1ccccc1)C(=O)NCCCc1c[n-][nH]c1=O ZINC001168402625 1196639805 /nfs/dbraw/zinc/63/98/05/1196639805.db2.gz FAXCJANUVGVDGT-HUUCEWRRSA-N -1 3 355.402 0.394 10 0 FCAEHM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1nnc2ccccc2c1[O-] ZINC000787662308 1200897340 /nfs/dbraw/zinc/89/73/40/1200897340.db2.gz PIEIKEWSUFOBPD-ZJUUUORDSA-N -1 3 360.370 0.522 10 0 FCAEHM C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCCc3c(=O)[n-]cnc31)C2=O ZINC001132783843 1202966985 /nfs/dbraw/zinc/96/69/85/1202966985.db2.gz XQYDLRWAGYNCHQ-VOJFVSQTSA-N -1 3 373.413 0.962 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 ZINC001144232946 1204439013 /nfs/dbraw/zinc/43/90/13/1204439013.db2.gz PGTZUQWSFARJQA-CMPLNLGQSA-N -1 3 364.352 0.946 10 0 FCAEHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)c1ccc(N2NC(=O)CCC2=O)cc1 ZINC001144520074 1204544544 /nfs/dbraw/zinc/54/45/44/1204544544.db2.gz XGSNRHXMYDRMGS-UHFFFAOYSA-N -1 3 373.394 0.559 10 0 FCAEHM Cc1nc(C)c(CC(=O)N2CCn3c(nnc3-c3cn(C)cn3)C2)c(=O)[n-]1 ZINC001171814912 1206252150 /nfs/dbraw/zinc/25/21/50/1206252150.db2.gz QPYSSSKNKMRKFT-UHFFFAOYSA-N -1 3 368.401 0.376 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)[C@@H]3COc4ccc(O)cc4O3)CC2)n1 ZINC001178044121 1206351458 /nfs/dbraw/zinc/35/14/58/1206351458.db2.gz ZXXBLGBGPLTBNC-HNNXBMFYSA-N -1 3 372.381 0.685 10 0 FCAEHM NC(=O)[C@@H]1CN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C[C@H]1c1ccccc1 ZINC001183695791 1206458413 /nfs/dbraw/zinc/45/84/13/1206458413.db2.gz XZYNXYLOKBIGFV-JKSUJKDBSA-N -1 3 363.373 0.911 10 0 FCAEHM O=C(c1ccccc1[O-])N1CCN(Cc2nnc3c(=O)[nH]ccn23)CC1 ZINC001191790477 1207809277 /nfs/dbraw/zinc/80/92/77/1207809277.db2.gz XQOIUMQMSDTTEM-UHFFFAOYSA-N -1 3 354.370 0.081 10 0 FCAEHM Cn1cc(C(=O)NC[C@H]2CCCN2Cc2nc3c(c(=O)[n-]2)COCC3)cn1 ZINC001196781710 1208109254 /nfs/dbraw/zinc/10/92/54/1208109254.db2.gz GNZGFMNLHLDRQO-CYBMUJFWSA-N -1 3 372.429 0.383 10 0 FCAEHM NC(=O)[C@@H]1C[C@@H]1C(=O)NCCC1=CCN(C(=O)c2ccccc2[O-])CC1 ZINC001489027180 1208611760 /nfs/dbraw/zinc/61/17/60/1208611760.db2.gz NNOYVKLLTZCRMQ-CABCVRRESA-N -1 3 357.410 0.792 10 0 FCAEHM CC[C@H](OC)C(=O)N[C@@H]1CN(C(=O)Cc2c(C)nc(C)[n-]c2=O)C[C@H]1C ZINC001489436531 1208829651 /nfs/dbraw/zinc/82/96/51/1208829651.db2.gz ANXYGYGQRSSTKC-KMUNFCNLSA-N -1 3 364.446 0.730 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](C)[C@H](NC(=O)CCOCC2CC2)C1 ZINC001489451816 1208839687 /nfs/dbraw/zinc/83/96/87/1208839687.db2.gz UXSFCXPGOGSXGK-BXUZGUMPSA-N -1 3 362.430 0.884 10 0 FCAEHM CO[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1NC(=O)C[C@@H](C)C1CC1 ZINC001489526566 1208881211 /nfs/dbraw/zinc/88/12/11/1208881211.db2.gz ABPDYFMBMZUWRF-LERXQTSPSA-N -1 3 362.430 0.882 10 0 FCAEHM COc1cc(CCC(=O)NC[C@H]2CC[C@@H](NC(=O)c3cn[n-]n3)C2)on1 ZINC001489881493 1209100194 /nfs/dbraw/zinc/10/01/94/1209100194.db2.gz LRVPWCCDVVHFOF-WDEREUQCSA-N -1 3 362.390 0.449 10 0 FCAEHM CCO[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CNC(=O)C1(CC)CC1 ZINC001489931814 1209164770 /nfs/dbraw/zinc/16/47/70/1209164770.db2.gz QFAMIXLINUSCLT-TZMCWYRMSA-N -1 3 362.430 0.966 10 0 FCAEHM COC[C@@H](OC)C(=O)N1C[C@H]2CCN(C(=O)c3ccccc3[O-])C[C@H]2C1 ZINC001490048984 1209227732 /nfs/dbraw/zinc/22/77/32/1209227732.db2.gz CZIJRWWOQUUQNI-JKIFEVAISA-N -1 3 362.426 0.974 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)CCCOc1cccnc1 ZINC001490109670 1209236289 /nfs/dbraw/zinc/23/62/89/1209236289.db2.gz RZGLAZLXVRCYBF-OCCSQVGLSA-N -1 3 358.402 0.778 10 0 FCAEHM CO[C@H](C)C(=O)NC[C@@H]1CN(C(=O)Cc2c(C)nc(C)[n-]c2=O)C[C@H]1C ZINC001490266313 1209306535 /nfs/dbraw/zinc/30/65/35/1209306535.db2.gz FHMOJILFNLFHKA-MPKXVKKWSA-N -1 3 364.446 0.587 10 0 FCAEHM O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000851645159 1209507200 /nfs/dbraw/zinc/50/72/00/1209507200.db2.gz HBBQKLRTJYUGSC-AWEZNQCLSA-N -1 3 354.370 0.371 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c(=O)cc1[O-])N1CC[C@@H]2COC[C@@H]2C1 ZINC000856147189 1209697364 /nfs/dbraw/zinc/69/73/64/1209697364.db2.gz MYYDAQDIGFPSQE-NEPJUHHUSA-N -1 3 359.357 0.982 10 0 FCAEHM O=C(c1nn(-c2ccc(F)cc2)c([O-])cc1=O)N1CC[C@@H]2COC[C@@H]2C1 ZINC000856147189 1209697367 /nfs/dbraw/zinc/69/73/67/1209697367.db2.gz MYYDAQDIGFPSQE-NEPJUHHUSA-N -1 3 359.357 0.982 10 0 FCAEHM CCOC(=O)[C@@]1(F)CN(Cc2cc(=O)n3nc(N)[n-]c3n2)CC12CCC2 ZINC000856757419 1209728087 /nfs/dbraw/zinc/72/80/87/1209728087.db2.gz KALWCSGSDZHFHE-INIZCTEOSA-N -1 3 364.381 0.257 10 0 FCAEHM Cn1[n-]cc2c(=NC(=O)C(=O)NC[C@@H]3CCN3C3CCCCC3)ccnc1-2 ZINC000861994745 1209891132 /nfs/dbraw/zinc/89/11/32/1209891132.db2.gz GCMJSFPEYSCODF-AWEZNQCLSA-N -1 3 370.457 0.804 10 0 FCAEHM Cn1[n-]cc2c(=NC(=O)C(=O)NC[C@H]3CCN3C3CCCC3)ccnc1-2 ZINC000862091805 1209896009 /nfs/dbraw/zinc/89/60/09/1209896009.db2.gz OTAKGPFOVVMZDI-CYBMUJFWSA-N -1 3 356.430 0.413 10 0 FCAEHM CN1C(=O)[C@H]2CN(C(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])C[C@H]2C1=O ZINC000871529393 1210163505 /nfs/dbraw/zinc/16/35/05/1210163505.db2.gz CQRFUGHBIJUNMF-HZSPNIEDSA-N -1 3 371.393 0.070 10 0 FCAEHM O=S(=O)(CCCS(=O)(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1)[N-]c1ccnnc1 ZINC000349534219 1210987243 /nfs/dbraw/zinc/98/72/43/1210987243.db2.gz GBKFCMJRNBPFKU-JHJVBQTASA-N -1 3 374.488 0.716 10 0 FCAEHM COc1ccnc(N2CCN(C(=O)c3cc(=O)[n-]c(N(C)C)n3)CC2)n1 ZINC000545913491 1211426615 /nfs/dbraw/zinc/42/66/15/1211426615.db2.gz BNMDWSROLHJUFW-UHFFFAOYSA-N -1 3 359.390 0.009 10 0 FCAEHM CN1C[C@@H](CCNC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])CC1=O ZINC000927739623 1211580366 /nfs/dbraw/zinc/58/03/66/1211580366.db2.gz GAOHJKUTBKGRGQ-NSHDSACASA-N -1 3 374.372 0.472 10 0 FCAEHM CN1C[C@@H](CCNC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)CC1=O ZINC000927739623 1211580369 /nfs/dbraw/zinc/58/03/69/1211580369.db2.gz GAOHJKUTBKGRGQ-NSHDSACASA-N -1 3 374.372 0.472 10 0 FCAEHM CC[C@H](CNC(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1)C(=O)[O-] ZINC000927957754 1211594697 /nfs/dbraw/zinc/59/46/97/1211594697.db2.gz ZRVGLEZMMOVQOZ-CVEARBPZSA-N -1 3 361.442 0.946 10 0 FCAEHM O=C(NCCNC(=O)c1ccc([O-])cc1)c1ccn(CCn2cccn2)n1 ZINC001137463246 1216641863 /nfs/dbraw/zinc/64/18/63/1216641863.db2.gz BAZHZSDVLBKWPR-UHFFFAOYSA-N -1 3 368.397 0.645 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCc3nc(COC)nn3C2)c1 ZINC001137342091 1219045404 /nfs/dbraw/zinc/04/54/04/1219045404.db2.gz LXIYAOKKDBGXQE-GFCCVEGCSA-N -1 3 371.397 0.999 10 0 FCAEHM CCOCCO[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2cn[n-]n2)C1 ZINC001490917110 1219666729 /nfs/dbraw/zinc/66/67/29/1219666729.db2.gz VNYLZBDWYWCVCL-IGCXYCKISA-N -1 3 365.434 0.357 10 0 FCAEHM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000783949247 1221224276 /nfs/dbraw/zinc/22/42/76/1221224276.db2.gz LHJCNHYOQDNGCZ-XPTSAGLGSA-N -1 3 361.354 0.761 10 0 FCAEHM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000783949241 1221224518 /nfs/dbraw/zinc/22/45/18/1221224518.db2.gz LHJCNHYOQDNGCZ-LKFCYVNXSA-N -1 3 361.354 0.761 10 0 FCAEHM C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000783949251 1221224612 /nfs/dbraw/zinc/22/46/12/1221224612.db2.gz LHJCNHYOQDNGCZ-YMTOWFKASA-N -1 3 361.354 0.761 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)[C@@H]3CCCN(C4CC4)C3=O)CC2)n1 ZINC001123961848 1222369640 /nfs/dbraw/zinc/36/96/40/1222369640.db2.gz ZNDSKJNUAOWCFY-HNNXBMFYSA-N -1 3 373.457 0.977 10 0 FCAEHM COc1nnc(NC(=O)[C@@]2(F)CN(C(=O)OC(C)(C)C)CC23COC3)[n-]1 ZINC000831561107 1222499363 /nfs/dbraw/zinc/49/93/63/1222499363.db2.gz IWKNVGLCRAUGIK-HNNXBMFYSA-N -1 3 371.369 0.727 10 0 FCAEHM COc1nc(NC(=O)[C@@]2(F)CN(C(=O)OC(C)(C)C)CC23COC3)n[n-]1 ZINC000831561107 1222499367 /nfs/dbraw/zinc/49/93/67/1222499367.db2.gz IWKNVGLCRAUGIK-HNNXBMFYSA-N -1 3 371.369 0.727 10 0 FCAEHM COc1n[n-]c(NC(=O)[C@@]2(F)CN(C(=O)OC(C)(C)C)CC23COC3)n1 ZINC000831561107 1222499372 /nfs/dbraw/zinc/49/93/72/1222499372.db2.gz IWKNVGLCRAUGIK-HNNXBMFYSA-N -1 3 371.369 0.727 10 0 FCAEHM O=C(CN1CC[C@@H](c2ccccc2)NC1=O)NCCCc1c[n-][nH]c1=O ZINC001149262351 1222881419 /nfs/dbraw/zinc/88/14/19/1222881419.db2.gz LOLYQPUZMRASFM-GJZGRUSLSA-N -1 3 357.414 0.771 10 0 FCAEHM Cn1c(=O)[nH]c(=O)c2cc(C(=O)N3CC[C@@H](c4cc(=O)[nH][n-]4)C3)cnc21 ZINC001164321971 1223237423 /nfs/dbraw/zinc/23/74/23/1223237423.db2.gz KZSYFZZFFVUSES-MRVPVSSYSA-N -1 3 356.342 0.093 10 0 FCAEHM COC(=O)CCN1CCC[C@@H](OC(=O)Cc2c(C)nc(C)[n-]c2=O)C1=O ZINC000849689510 1245411328 /nfs/dbraw/zinc/41/13/28/1245411328.db2.gz ZHHZHJRVJBEZMY-CYBMUJFWSA-N -1 3 365.386 0.439 10 0 FCAEHM CC(=O)N1CC[C@@](C)(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3cn[n-]n3)C2)C1 ZINC001515159656 1265447930 /nfs/dbraw/zinc/44/79/30/1265447930.db2.gz BLRUSSSAZHTOHI-OGHNNQOOSA-N -1 3 362.434 0.078 10 0 FCAEHM O=C1CC[C@@H]2CN(c3nnc(-c4nnc(Cl)[n-]4)n3CC3CC3)CCN12 ZINC001519586115 1265735509 /nfs/dbraw/zinc/73/55/09/1265735509.db2.gz COGHRALHZAJRPX-SNVBAGLBSA-N -1 3 362.825 0.938 10 0 FCAEHM O=C1CC[C@@H]2CN(c3nnc(-c4n[n-]c(Cl)n4)n3CC3CC3)CCN12 ZINC001519586115 1265735514 /nfs/dbraw/zinc/73/55/14/1265735514.db2.gz COGHRALHZAJRPX-SNVBAGLBSA-N -1 3 362.825 0.938 10 0 FCAEHM COC[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC001329563225 1265782586 /nfs/dbraw/zinc/78/25/86/1265782586.db2.gz PZDKIXPXQOVTHN-RDTXWAMCSA-N -1 3 367.446 0.023 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)CCc2ccncn2)CCN1C(=O)c1cnc[n-]c1=O ZINC001519845532 1265782549 /nfs/dbraw/zinc/78/25/49/1265782549.db2.gz BTIYXWDOMIERNL-LSDHHAIUSA-N -1 3 370.413 0.714 10 0 FCAEHM COC[C@@H](OC)C(=O)N1C[C@H]2CN(C(=O)c3ccccc3[O-])C[C@@]2(C)C1 ZINC001521686410 1266164327 /nfs/dbraw/zinc/16/43/27/1266164327.db2.gz LMFGCWVGQMZOOQ-NRXGSXMXSA-N -1 3 362.426 0.974 10 0 FCAEHM COC(=O)C1CC2(C1)CN(C(=O)N[C@H]1CCN(C3CC3)C1)C[C@@H]2C(=O)[O-] ZINC001331906008 1266304175 /nfs/dbraw/zinc/30/41/75/1266304175.db2.gz HDYJLYIKCPBOOM-DJMVKLBHSA-N -1 3 365.430 0.519 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NC[C@@H](C1CC1)N(C)C(=O)[C@]12C[C@H]1COC2 ZINC001336925424 1260255518 /nfs/dbraw/zinc/25/55/18/1260255518.db2.gz VLCWMAYMERWDHX-LXIYXOSZSA-N -1 3 360.414 0.494 10 0 FCAEHM O=C(C[C@@H]1C[C@H]1C1CC1)NC[C@@H](O)CNCc1cc(=O)n2[n-]ccc2n1 ZINC001268314802 1260424982 /nfs/dbraw/zinc/42/49/82/1260424982.db2.gz POZHCZFDDCEQKC-QEJZJMRPSA-N -1 3 359.430 0.026 10 0 FCAEHM O=C(N[C@@H](CO)CNC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1)c1cn[n-]n1 ZINC001337867674 1260504269 /nfs/dbraw/zinc/50/42/69/1260504269.db2.gz GMOFIVACAYCBFX-BZUAXINKSA-N -1 3 371.441 0.986 10 0 FCAEHM CCC[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C[C@H]1O ZINC001281651085 1261135836 /nfs/dbraw/zinc/13/58/36/1261135836.db2.gz KUDREKDJVUQFSK-LERXQTSPSA-N -1 3 362.430 0.797 10 0 FCAEHM CC(C)(C)/C=C\C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC001281672712 1261142199 /nfs/dbraw/zinc/14/21/99/1261142199.db2.gz PLPGZOARLHVJHW-JUBSNLHESA-N -1 3 357.414 0.862 10 0 FCAEHM CC(C)(C)CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001281681296 1261146537 /nfs/dbraw/zinc/14/65/37/1261146537.db2.gz PPMFNPNXJFYJEE-CHWSQXEVSA-N -1 3 364.446 0.946 10 0 FCAEHM C[C@H](Cc1ccccc1)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@@H]1O ZINC001281893579 1261263136 /nfs/dbraw/zinc/26/31/36/1261263136.db2.gz BCKHYIYYUGPYFK-WQVCFCJDSA-N -1 3 370.409 0.363 10 0 FCAEHM O=C(NCc1cc(=O)[n-]c(CNC(=O)[C@]23C[C@H]2COC3)n1)C1(CF)CC1 ZINC001282236502 1261387591 /nfs/dbraw/zinc/38/75/91/1261387591.db2.gz ZDZFNOSBIYRYLF-BTDLBPIBSA-N -1 3 364.377 0.201 10 0 FCAEHM CCO[C@@H](C)C(=O)N1CC[C@@H]2CN(C(=O)c3c(C)nc[n-]c3=O)C[C@@H]2C1 ZINC001282302365 1261409485 /nfs/dbraw/zinc/40/94/85/1261409485.db2.gz KMZKDWYLWYAUBL-MJBXVCDLSA-N -1 3 362.430 0.836 10 0 FCAEHM C[C@@H](NC(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)c1nc(C(F)(F)F)n[n-]1 ZINC001472110051 1261437723 /nfs/dbraw/zinc/43/77/23/1261437723.db2.gz BQVDZLWPJPYKTA-HLTSFMKQSA-N -1 3 371.319 0.952 10 0 FCAEHM COc1ccc(Cl)cc1CNC(=O)CN1CC[C@@H](c2nnn[n-]2)C1 ZINC001473751425 1261493753 /nfs/dbraw/zinc/49/37/53/1261493753.db2.gz UZUWQZBVLXLOQZ-SNVBAGLBSA-N -1 3 350.810 0.967 10 0 FCAEHM COc1ccc(Cl)cc1CNC(=O)CN1CC[C@@H](c2nn[n-]n2)C1 ZINC001473751425 1261493759 /nfs/dbraw/zinc/49/37/59/1261493759.db2.gz UZUWQZBVLXLOQZ-SNVBAGLBSA-N -1 3 350.810 0.967 10 0 FCAEHM O=C1NC[C@@H](O)CC12CCN(Cc1nnc(-c3ccccc3[O-])o1)CC2 ZINC001473851622 1261502849 /nfs/dbraw/zinc/50/28/49/1261502849.db2.gz JZOFYVXHBUJCBJ-LBPRGKRZSA-N -1 3 358.398 0.905 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NCC[C@@H]1CN(C(=O)[C@@H]2CCCO2)C[C@H]1C ZINC001282556475 1261527573 /nfs/dbraw/zinc/52/75/73/1261527573.db2.gz QIKGSBXLPBVXOD-BNOWGMLFSA-N -1 3 362.430 0.884 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NCC[C@@H]1CN(C(=O)[C@H]2CCCO2)C[C@H]1C ZINC001282556476 1261527882 /nfs/dbraw/zinc/52/78/82/1261527882.db2.gz QIKGSBXLPBVXOD-MRVWCRGKSA-N -1 3 362.430 0.884 10 0 FCAEHM CC(C)[C@@H](O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001282626306 1261557221 /nfs/dbraw/zinc/55/72/21/1261557221.db2.gz VPJABSFQNYXFNW-TWJWRFFLSA-N -1 3 374.441 0.938 10 0 FCAEHM COC[C@@H](OC)C(=O)N1CC[C@H](NC(=O)c2cccc3n[n-]nc32)[C@H]1C ZINC001345373854 1261687563 /nfs/dbraw/zinc/68/75/63/1261687563.db2.gz NOSXZNMMULYRBX-SCDSUCTJSA-N -1 3 361.402 0.339 10 0 FCAEHM CN(C(=O)[C@@H]1C[C@H]1c1cccnc1)[C@H](CNCc1nc(=O)n(C)[n-]1)C1CC1 ZINC001283545639 1261690639 /nfs/dbraw/zinc/69/06/39/1261690639.db2.gz VDVCMWHNEAFGRA-ARFHVFGLSA-N -1 3 370.457 0.634 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)NCCCN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001283629920 1261696397 /nfs/dbraw/zinc/69/63/97/1261696397.db2.gz AOKRSFDDGPFWPC-JYKNGBAOSA-N -1 3 360.414 0.492 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)N1CC[C@@](O)(CNC(=O)c2ccccc2[O-])C1 ZINC001286177670 1261921911 /nfs/dbraw/zinc/92/19/11/1261921911.db2.gz DXZSQCNPCPDHOH-SIXWZSSISA-N -1 3 362.426 0.901 10 0 FCAEHM O=C(N[C@H](CO)CNC(=O)[C@]12C[C@H]1CCC2)c1cc(=O)c2ccccc2[n-]1 ZINC001287818290 1261984962 /nfs/dbraw/zinc/98/49/62/1261984962.db2.gz BNBLBDLCERVDJF-MTJIALIYSA-N -1 3 369.421 0.925 10 0 FCAEHM COCCC(=O)N1CC[C@H]2CN(C(=O)c3ccc4c(c3)C(=O)[N-]C4=O)C[C@H]21 ZINC001288906744 1262036998 /nfs/dbraw/zinc/03/69/98/1262036998.db2.gz ZTVCPDLWLJCYKN-SWLSCSKDSA-N -1 3 371.393 0.280 10 0 FCAEHM C/C=C(\C)C(=O)N[C@@H]1CN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C[C@H]1OC ZINC001289460495 1262210373 /nfs/dbraw/zinc/21/03/73/1262210373.db2.gz XYZCSBOLTSEUTO-OQNKENJNSA-N -1 3 371.393 0.492 10 0 FCAEHM COCC(C)(C)C(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1OC ZINC001289509610 1262230521 /nfs/dbraw/zinc/23/05/21/1262230521.db2.gz MLSSKYPYEGACPR-VXGBXAGGSA-N -1 3 366.418 0.119 10 0 FCAEHM CC(C)[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C[C@@H]1O ZINC001289745719 1262331933 /nfs/dbraw/zinc/33/19/33/1262331933.db2.gz WXEWQGGZMDFEER-HONMWMINSA-N -1 3 362.430 0.653 10 0 FCAEHM O=C(CC1CCC1)NCc1cc(=O)[n-]c(CNC(=O)[C@]23C[C@H]2COC3)n1 ZINC001290364132 1262433378 /nfs/dbraw/zinc/43/33/78/1262433378.db2.gz GWFMYCGPXYPHQX-SGTLLEGYSA-N -1 3 360.414 0.641 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)CCc2ccncn2)CCN1C(=O)c1cnc[n-]c1=O ZINC001290640202 1262483211 /nfs/dbraw/zinc/48/32/11/1262483211.db2.gz SEMHOLFPVLBBSG-RISCZKNCSA-N -1 3 356.386 0.324 10 0 FCAEHM C[C@@]12CN(C(=O)C(=O)NCC3CC3)C[C@@H]1CN(C(=O)c1ccccc1[O-])C2 ZINC001290800582 1262508554 /nfs/dbraw/zinc/50/85/54/1262508554.db2.gz CUTKDRDPNSCHCV-VBKZILBWSA-N -1 3 371.437 0.839 10 0 FCAEHM CO[C@@H](C)CCC(=O)N1C[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@]2(C)C1 ZINC001290831111 1262515759 /nfs/dbraw/zinc/51/57/59/1262515759.db2.gz NABIFMOWRNGWRH-JCGVRSQUSA-N -1 3 362.430 0.918 10 0 FCAEHM O=C(Cc1ccon1)NC[C@]12CCC[C@H]1N(C(=O)c1cnc[n-]c1=O)CC2 ZINC001291717559 1262581983 /nfs/dbraw/zinc/58/19/83/1262581983.db2.gz XBGTYTKYSPZGRT-RDTXWAMCSA-N -1 3 371.397 0.914 10 0 FCAEHM COC(=O)NCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3n[n-]nc31)C2 ZINC001291874873 1262603280 /nfs/dbraw/zinc/60/32/80/1262603280.db2.gz CPADRTCENGYTMG-ICCXJUOJSA-N -1 3 372.385 0.176 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1 ZINC001292969528 1262707078 /nfs/dbraw/zinc/70/70/78/1262707078.db2.gz KVHRCJXDWBQESN-CYBMUJFWSA-N -1 3 359.361 0.937 10 0 FCAEHM O=C(NCCCNC(=O)[C@]12C[C@H]1COC2)c1cc(=O)c2ccccc2[n-]1 ZINC001293377778 1262715769 /nfs/dbraw/zinc/71/57/69/1262715769.db2.gz QDLRTWITLABPTK-BUXKBTBVSA-N -1 3 355.394 0.801 10 0 FCAEHM O=C(N[C@H](CNC(=O)[C@]12C[C@H]1COC2)C1CC1)c1cccc2n[n-]nc21 ZINC001294903100 1262749443 /nfs/dbraw/zinc/74/94/43/1262749443.db2.gz LWNZPRUXUSCPEQ-FVMIAERFSA-N -1 3 355.398 0.619 10 0 FCAEHM CN(C)C[C@@H]1CN(C(=O)CNC(=O)c2ncccc2[O-])c2ccccc2O1 ZINC001295028579 1262754906 /nfs/dbraw/zinc/75/49/06/1262754906.db2.gz XGUQWUCANDVKMV-CYBMUJFWSA-N -1 3 370.409 0.873 10 0 FCAEHM CN(C)C[C@H]1CN(C(=O)CNC(=O)c2ncccc2[O-])c2ccccc2O1 ZINC001295028581 1262755391 /nfs/dbraw/zinc/75/53/91/1262755391.db2.gz XGUQWUCANDVKMV-ZDUSSCGKSA-N -1 3 370.409 0.873 10 0 FCAEHM CCN(CCNC(=O)[C@]12C[C@H]1COC2)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001296320530 1262805189 /nfs/dbraw/zinc/80/51/89/1262805189.db2.gz QEPZGRQBWQMSNI-BUXKBTBVSA-N -1 3 371.393 0.185 10 0 FCAEHM COC1(OC)CCN(C(=O)CCNC(=O)c2ccc(C)cc2[O-])C[C@H]1O ZINC001299814076 1262979527 /nfs/dbraw/zinc/97/95/27/1262979527.db2.gz GYWPHIWUOSFZFN-OAHLLOKOSA-N -1 3 366.414 0.403 10 0 FCAEHM O=C(NC1CCN([C@@H]2CCOC2)CC1)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001301131222 1263000812 /nfs/dbraw/zinc/00/08/12/1263000812.db2.gz JJOFCUROYJPZHC-OAHLLOKOSA-N -1 3 373.413 0.249 10 0 FCAEHM O=C(N[C@@H]1CCN(C2CCC2)C1=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001479065872 1263162428 /nfs/dbraw/zinc/16/24/28/1263162428.db2.gz PBPOIBRMZKVYPB-WCQYABFASA-N -1 3 360.418 0.214 10 0 FCAEHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N[C@@H]1Cc2ccccc2NC1=O ZINC001479506374 1263232972 /nfs/dbraw/zinc/23/29/72/1263232972.db2.gz CXSSTOJXDBZAOR-TZMCWYRMSA-N -1 3 368.397 0.624 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)c2ccccc2[O-])CCN1CC(=O)NC[C@@H]1CCCO1 ZINC001479697871 1263347007 /nfs/dbraw/zinc/34/70/07/1263347007.db2.gz ILZQIUDRTCGHTQ-YCPHGPKFSA-N -1 3 361.442 0.880 10 0 FCAEHM CN(CCNCc1nc(=O)n(C)[n-]1)C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC001481278626 1263438410 /nfs/dbraw/zinc/43/84/10/1263438410.db2.gz VIEQZINHPWEVMX-GHMZBOCLSA-N -1 3 365.384 0.738 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)c2cnc[n-]c2=O)CCN1CC(=O)NCCC(C)(C)C ZINC001316785676 1263476626 /nfs/dbraw/zinc/47/66/26/1263476626.db2.gz FCCUPTOHLGUCMF-OCCSQVGLSA-N -1 3 363.462 0.927 10 0 FCAEHM CCOC(=O)c1nc(C2CCN(C(=O)c3nc(C)c(C)[nH]c3=O)CC2)n[n-]1 ZINC001320814814 1263864967 /nfs/dbraw/zinc/86/49/67/1263864967.db2.gz YEDZPLWACZSGON-UHFFFAOYSA-N -1 3 374.401 0.701 10 0 FCAEHM CCOC(=O)c1nnc(C2CCN(C(=O)c3nc(C)c(C)[nH]c3=O)CC2)[n-]1 ZINC001320814814 1263864986 /nfs/dbraw/zinc/86/49/86/1263864986.db2.gz YEDZPLWACZSGON-UHFFFAOYSA-N -1 3 374.401 0.701 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H](C)NCc1cc(=O)n2[n-]ccc2n1 ZINC001507103262 1264352038 /nfs/dbraw/zinc/35/20/38/1264352038.db2.gz FJHIOAHLVDOWBS-YUELXQCFSA-N -1 3 361.446 0.774 10 0 FCAEHM CC/C(C)=C/C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nnc3ccccc3c2[O-])C1 ZINC001513077550 1264918150 /nfs/dbraw/zinc/91/81/50/1264918150.db2.gz DTZZMVWBBKTLML-UHUXCJHTSA-N -1 3 370.409 0.993 10 0 FCAEHM CCO[C@H](CC)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001513279912 1265015002 /nfs/dbraw/zinc/01/50/02/1265015002.db2.gz MAEUJOWHMCADPA-RAIGVLPGSA-N -1 3 350.419 0.882 10 0 FCAEHM COC[C@@H](C)CC(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1C ZINC001513291994 1265021616 /nfs/dbraw/zinc/02/16/16/1265021616.db2.gz RRZBWSLDWKUSKZ-DMDPSCGWSA-N -1 3 350.419 0.740 10 0 FCAEHM COCCC[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001513307831 1265028514 /nfs/dbraw/zinc/02/85/14/1265028514.db2.gz ZVFGSBULAPZWPQ-OUCADQQQSA-N -1 3 350.419 0.822 10 0 FCAEHM CCC(=O)N[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1OC ZINC001513383605 1265079074 /nfs/dbraw/zinc/07/90/74/1265079074.db2.gz BIYUDPAZRKERAF-UXIGCNINSA-N -1 3 363.414 0.263 10 0 FCAEHM CCC[C@H](CC(C)C)C(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1 ZINC001513545449 1265194906 /nfs/dbraw/zinc/19/49/06/1265194906.db2.gz QZMNXXWAXYTUBL-YUELXQCFSA-N -1 3 364.446 0.946 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC(n2ccnn2)C1 ZINC001333428935 1266600160 /nfs/dbraw/zinc/60/01/60/1266600160.db2.gz DFBHQHFRPGHHRZ-UHFFFAOYSA-N -1 3 365.397 0.748 10 0 FCAEHM C(Cc1nnc(N2CCSCC2)n1C[C@H]1CCCO1)c1nnn[n-]1 ZINC001525275681 1266749391 /nfs/dbraw/zinc/74/93/91/1266749391.db2.gz MUVTXMLXQJRFAU-LLVKDONJSA-N -1 3 350.452 0.309 10 0 FCAEHM C(Cc1nnc(N2CCSCC2)n1C[C@H]1CCCO1)c1nn[n-]n1 ZINC001525275681 1266749401 /nfs/dbraw/zinc/74/94/01/1266749401.db2.gz MUVTXMLXQJRFAU-LLVKDONJSA-N -1 3 350.452 0.309 10 0 FCAEHM CO[C@@H](C(=O)[O-])C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC001334026005 1266785787 /nfs/dbraw/zinc/78/57/87/1266785787.db2.gz RPUXVJVNFHOMBS-HUUCEWRRSA-N -1 3 363.414 0.891 10 0 FCAEHM C[C@@H](CNC(=O)[C@]12C[C@H]1COC2)N(C)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001334322230 1266946829 /nfs/dbraw/zinc/94/68/29/1266946829.db2.gz WPUPGLLKOSXYOZ-DKHZXNSXSA-N -1 3 371.393 0.183 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CC[C@H](NC(=O)C3(N4CCOCC4)CCC3)C2)n1 ZINC001528886513 1267005129 /nfs/dbraw/zinc/00/51/29/1267005129.db2.gz HLXPRQCNDXGHTE-AWEZNQCLSA-N -1 3 361.446 0.440 10 0 FCAEHM CO[C@@H]1CN(C(=O)NC[C@@H]2CCN2C2CCOCC2)[C@](C)(C(=O)[O-])C1 ZINC001334450117 1267008859 /nfs/dbraw/zinc/00/88/59/1267008859.db2.gz XJTKTMCVLSOYRD-ZQIUZPCESA-N -1 3 355.435 0.513 10 0 FCAEHM CSCCCn1nnnc1N1CCN(c2nc(C)cc(=O)[n-]2)CC1 ZINC001334470941 1267021686 /nfs/dbraw/zinc/02/16/86/1267021686.db2.gz OIFQKTFZBZRRRA-UHFFFAOYSA-N -1 3 350.452 0.557 10 0 FCAEHM O=C(c1cccc(CN2C(=O)CNC2=O)c1)N1CCCc2c(=O)[n-]cnc21 ZINC001532770210 1267186238 /nfs/dbraw/zinc/18/62/38/1267186238.db2.gz IZLYEJCSFAUDDJ-UHFFFAOYSA-N -1 3 367.365 0.827 10 0 FCAEHM Cc1c(C(=O)Nc2ncc(S(=O)(=O)[N-]C(C)(C)C)s2)nnn1C ZINC001535300712 1267289619 /nfs/dbraw/zinc/28/96/19/1267289619.db2.gz YTCMWCPYFMLYDN-UHFFFAOYSA-N -1 3 358.449 0.909 10 0 FCAEHM Cn1cnc(/C=C/C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC001538089705 1267392165 /nfs/dbraw/zinc/39/21/65/1267392165.db2.gz VWGXOYUWWJVGDF-HWKANZROSA-N -1 3 370.381 0.806 10 0 FCAEHM COC(=O)[C@@]1(C)C[C@@H](OC)CN1C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC001544161421 1267571680 /nfs/dbraw/zinc/57/16/80/1267571680.db2.gz YBCJIPOCNYVQKE-SJKOYZFVSA-N -1 3 351.403 0.911 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)c2nn3c(c2Br)CCC3)n[n-]1 ZINC001544414146 1267579224 /nfs/dbraw/zinc/57/92/24/1267579224.db2.gz PRVJPNJCMOODPB-UHFFFAOYSA-N -1 3 369.179 0.678 10 0 FCAEHM C[C@@H](CCCCNC(=O)[C@H]1OCCO[C@H]1C)NC(=O)c1cnc[n-]c1=O ZINC001340723370 1268635799 /nfs/dbraw/zinc/63/57/99/1268635799.db2.gz CNTMWWSEYBABAX-OBJOEFQTSA-N -1 3 366.418 0.391 10 0 FCAEHM CCCc1ncc(CNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)o1 ZINC001556590442 1268871545 /nfs/dbraw/zinc/87/15/45/1268871545.db2.gz KKYFILQMTWYXIH-UHFFFAOYSA-N -1 3 371.191 0.968 10 0 FCAEHM Cn1cc([C@@H]2[C@@H](C(=O)Nc3[nH][n-]c4cc(=O)ccc3-4)[C@@H](O)C(=O)N2C)cn1 ZINC001556722906 1268886293 /nfs/dbraw/zinc/88/62/93/1268886293.db2.gz IJPWSWFZNLDNFZ-MGPQQGTHSA-N -1 3 370.369 0.131 10 0 FCAEHM O=C(CCNS(=O)(=O)c1cccnc1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001557316731 1268942643 /nfs/dbraw/zinc/94/26/43/1268942643.db2.gz NISCHFARAMILPO-LLVKDONJSA-N -1 3 365.415 0.195 10 0 FCAEHM O=C(c1ccc(C[C@@H]2CC(=O)NC2=O)cc1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001557317077 1268942891 /nfs/dbraw/zinc/94/28/91/1268942891.db2.gz BGKJPRXPPAFQLX-UONOGXRCSA-N -1 3 368.393 0.950 10 0 FCAEHM O=C(Cn1cc(Br)ccc1=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001557321777 1268943470 /nfs/dbraw/zinc/94/34/70/1268943470.db2.gz SQTYGVLQOJMQNS-UHFFFAOYSA-N -1 3 371.216 0.712 10 0 FCAEHM C/C=C(\C)C(=O)N[C@@H]1CN(C(=O)c2c[n-]c3ccccc3c2=O)C[C@H]1O ZINC001341339724 1268944665 /nfs/dbraw/zinc/94/46/65/1268944665.db2.gz YLRUYARBBZQCHG-PQMBVPEPSA-N -1 3 355.394 0.796 10 0 FCAEHM Cn1cc(/C=C\C(=O)Nc2cc3oc([O-])nc3cc2F)c(=O)n(C)c1=O ZINC001557435776 1268947474 /nfs/dbraw/zinc/94/74/74/1268947474.db2.gz NDXPYSWRUCXTGJ-ARJAWSKDSA-N -1 3 360.301 0.722 10 0 FCAEHM NS(=O)(=O)c1ccc(C(=O)NCCCc2c[n-][nH]c2=O)cc1Cl ZINC001557700958 1268968722 /nfs/dbraw/zinc/96/87/22/1268968722.db2.gz GGSZLMRIHAURRF-VIFPVBQESA-N -1 3 358.807 0.229 10 0 FCAEHM CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NCCCc1c[n-][nH]c1=O ZINC001557701086 1268968843 /nfs/dbraw/zinc/96/88/43/1268968843.db2.gz GNJRMXRMKMNYNO-IHRRRGAJSA-N -1 3 351.451 0.835 10 0 FCAEHM O=C(CCc1[nH]c(O)nc1O)Nc1n[n-]c2cnc(Br)cc21 ZINC001557876250 1268983836 /nfs/dbraw/zinc/98/38/36/1268983836.db2.gz AEFHQAQXLLPNKR-ZCFIWIBFSA-N -1 3 367.163 0.647 10 0 FCAEHM O=C(c1ccoc1C1(O)CCOCC1)N1CCC(Cc2nnn[n-]2)CC1 ZINC001558177820 1269046089 /nfs/dbraw/zinc/04/60/89/1269046089.db2.gz KAYQELVGGNCKBG-UHFFFAOYSA-N -1 3 361.402 0.886 10 0 FCAEHM O=C(c1ccoc1C1(O)CCOCC1)N1CCC(Cc2nn[n-]n2)CC1 ZINC001558177820 1269046101 /nfs/dbraw/zinc/04/61/01/1269046101.db2.gz KAYQELVGGNCKBG-UHFFFAOYSA-N -1 3 361.402 0.886 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)Cn3c4ccccc4oc3=O)CC2)n1 ZINC001558396644 1269083400 /nfs/dbraw/zinc/08/34/00/1269083400.db2.gz JAJYKKZRZCXYBC-UHFFFAOYSA-N -1 3 369.381 0.747 10 0 FCAEHM CCS(=O)(=O)N[C@@H](C)C(=O)Nc1cc(C(=O)OC)cc(OC)c1[O-] ZINC001558677842 1269129496 /nfs/dbraw/zinc/12/94/96/1269129496.db2.gz FVCJGIZWYWQMLC-QMMMGPOBSA-N -1 3 360.388 0.454 10 0 FCAEHM O=C(Cn1c(=O)cnc2ccccc21)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001558698400 1269132200 /nfs/dbraw/zinc/13/22/00/1269132200.db2.gz YDBOTFJYPVCLTA-LBPRGKRZSA-N -1 3 366.381 0.287 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccc(Cn2ccnn2)o1 ZINC001558698817 1269132713 /nfs/dbraw/zinc/13/27/13/1269132713.db2.gz OENYCBZYHUQNLU-NSHDSACASA-N -1 3 355.358 0.424 10 0 FCAEHM CS(=O)(=O)NC[C@H]1COCCN1Cc1nnc(-c2ccccc2[O-])o1 ZINC001560044279 1269184307 /nfs/dbraw/zinc/18/43/07/1269184307.db2.gz APACDMIXMWWWOW-NSHDSACASA-N -1 3 368.415 0.192 10 0 FCAEHM CC(C)[C@@H](O)C(=O)N[C@@H]1CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C[C@H]1C ZINC001342137292 1269366285 /nfs/dbraw/zinc/36/62/85/1269366285.db2.gz SUONUJWFJWDKKX-WDBKCZKBSA-N -1 3 362.430 0.653 10 0 FCAEHM CCNC(=O)C1(CNC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)CCC1 ZINC001564683610 1269428252 /nfs/dbraw/zinc/42/82/52/1269428252.db2.gz KRURICKCCZRXBO-LBPRGKRZSA-N -1 3 362.434 0.367 10 0 FCAEHM CCCN1C[C@H](CNC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)CC1=O ZINC001564953721 1269446344 /nfs/dbraw/zinc/44/63/44/1269446344.db2.gz PUMTZZOBDIWVME-STQMWFEESA-N -1 3 362.434 0.319 10 0 FCAEHM COC(=O)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)cn1)Cc1ccncc1 ZINC001565634454 1269486181 /nfs/dbraw/zinc/48/61/81/1269486181.db2.gz UPIFZBULSGVYHB-ZDUSSCGKSA-N -1 3 367.369 0.418 10 0 FCAEHM COC(=O)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)cn1)Cc1ccncc1 ZINC001565634454 1269486185 /nfs/dbraw/zinc/48/61/85/1269486185.db2.gz UPIFZBULSGVYHB-ZDUSSCGKSA-N -1 3 367.369 0.418 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)CCn2cncn2)CCN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001566079761 1269591608 /nfs/dbraw/zinc/59/16/08/1269591608.db2.gz CSWBLXRRSLKJHU-DOMZBBRYSA-N -1 3 371.445 0.820 10 0 FCAEHM Nc1ncnc2c1ncn2CCCCC(=O)N1CCc2c(=O)[n-]cnc2C1 ZINC001567567923 1269701080 /nfs/dbraw/zinc/70/10/80/1269701080.db2.gz RYZLMTHZBGQHDY-UHFFFAOYSA-N -1 3 368.401 0.659 10 0 FCAEHM Cn1cc(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)cc1C=O ZINC001567942845 1269714349 /nfs/dbraw/zinc/71/43/49/1269714349.db2.gz OBXWDKVQOVBJOC-UHFFFAOYSA-N -1 3 371.365 0.824 10 0 FCAEHM COC[C@H](C)CC(=O)N1C[C@@H](NC(=O)c2c(C)nc[n-]c2=O)[C@H](OC)C1 ZINC001343050340 1269746841 /nfs/dbraw/zinc/74/68/41/1269746841.db2.gz HRWFXUKMSFWURR-RAIGVLPGSA-N -1 3 366.418 0.119 10 0 FCAEHM COC[C@H](OC)C(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1OC ZINC001343092463 1269766473 /nfs/dbraw/zinc/76/64/73/1269766473.db2.gz BWYBBPYPMVIHND-YUELXQCFSA-N -1 3 352.387 0.009 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCN2C[C@@H](F)C[C@H]2C1 ZINC001569472386 1269786433 /nfs/dbraw/zinc/78/64/33/1269786433.db2.gz IYZYXOUDDIFCNC-GJZGRUSLSA-N -1 3 371.416 0.937 10 0 FCAEHM COC(=O)c1ccc(CC(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)cn1 ZINC001569980171 1269826637 /nfs/dbraw/zinc/82/66/37/1269826637.db2.gz ZLIAAJPUSJNPSD-UHFFFAOYSA-N -1 3 370.365 0.945 10 0 FCAEHM C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)c1nc[n-]c(=O)c1Br ZINC001570456188 1269884899 /nfs/dbraw/zinc/88/48/99/1269884899.db2.gz GCGRQKKTLHVQFA-DTWKUNHWSA-N -1 3 359.224 0.472 10 0 FCAEHM C[C@H](CCc1ccccc1)CC(=O)N1C[C@@H](NC(=O)c2cn[n-]n2)[C@@H](O)C1 ZINC001343529923 1269937437 /nfs/dbraw/zinc/93/74/37/1269937437.db2.gz RFGYIXQPJTXFBD-XYPHTWIQSA-N -1 3 371.441 0.765 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NCc1nc(CNC(=O)[C@]2(F)CCOC2)cc(=O)[n-]1 ZINC001344650555 1270217597 /nfs/dbraw/zinc/21/75/97/1270217597.db2.gz PJTNHJWDTOPDDZ-HSOHIQCKSA-N -1 3 366.393 0.589 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)CC(C)C)C1 ZINC001572836445 1270223940 /nfs/dbraw/zinc/22/39/40/1270223940.db2.gz UDNSVVIQGRLITG-IACUBPJLSA-N -1 3 364.446 0.864 10 0 FCAEHM CCOCCCC(=O)N1C[C@@H](C)[C@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001572918566 1270348137 /nfs/dbraw/zinc/34/81/37/1270348137.db2.gz DWBSIYXNKMNDOC-DGCLKSJQSA-N -1 3 350.419 0.884 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@@H](OC)C2CC2)n1 ZINC001573249378 1270709170 /nfs/dbraw/zinc/70/91/70/1270709170.db2.gz OWHCYSHLOZTBJP-ZXIHIIQKSA-N -1 3 362.430 0.886 10 0 FCAEHM C[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O)n1ccnc1 ZINC001574246765 1271117485 /nfs/dbraw/zinc/11/74/85/1271117485.db2.gz WDCRCFMBCAKTAC-NEBZKDRISA-N -1 3 370.413 0.892 10 0 FCAEHM COc1ccc([C@@H]2C[C@H]2C(=O)NC[C@@H](C)NCc2nc(=O)n(C)[n-]2)cc1 ZINC001713338246 1287275180 /nfs/dbraw/zinc/27/51/80/1287275180.db2.gz IHLHRGPUYLWVHA-BYCMXARLSA-N -1 3 359.430 0.515 10 0 FCAEHM CC(C)N(CCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)Cc1nc(=O)n(C)[n-]1 ZINC001714823824 1287335157 /nfs/dbraw/zinc/33/51/57/1287335157.db2.gz FKXZVDPZITUBRE-AQRJEWBLSA-N -1 3 363.462 0.249 10 0 FCAEHM CN(CC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)C(=O)OC(C)(C)C ZINC001603293535 1287347383 /nfs/dbraw/zinc/34/73/83/1287347383.db2.gz XDCZKTIUTLWSLE-LLVKDONJSA-N -1 3 351.407 0.744 10 0 FCAEHM C[C@@]1(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)Oc2ccccc2NC1=O ZINC001603292292 1287348286 /nfs/dbraw/zinc/34/82/86/1287348286.db2.gz PEDUIQXIBGMUAD-VOJFVSQTSA-N -1 3 369.381 0.667 10 0 FCAEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@@H](C)CN(C)C(=O)[C@]12C[C@H]1COC2 ZINC001718557059 1287518296 /nfs/dbraw/zinc/51/82/96/1287518296.db2.gz YZDGLBJGZOXQGV-FNFWKMNBSA-N -1 3 362.430 0.423 10 0 FCAEHM O=C(CNS(=O)(=O)c1ccccc1F)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001631826628 1282118519 /nfs/dbraw/zinc/11/85/19/1282118519.db2.gz QUILQWNSNKFBQM-JTQLQIEISA-N -1 3 368.390 0.549 10 0 FCAEHM Cc1cc(=O)[n-]c(CNC(=O)[C@H](C)[C@@H](O)CN(C)C(=O)OC(C)(C)C)n1 ZINC001631852384 1282126115 /nfs/dbraw/zinc/12/61/15/1282126115.db2.gz WLLODUSIBNRRFT-NEPJUHHUSA-N -1 3 368.434 0.971 10 0 FCAEHM CSCc1n[nH]c(CNC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)n1 ZINC001584525090 1282158864 /nfs/dbraw/zinc/15/88/64/1282158864.db2.gz ODHCGGPCLKLMRX-UHFFFAOYSA-N -1 3 361.431 0.892 10 0 FCAEHM C[C@@H](CN(C)C(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1)c1nnn[n-]1 ZINC001632364609 1282171389 /nfs/dbraw/zinc/17/13/89/1282171389.db2.gz JHMRPQDYKVSBNL-NSHDSACASA-N -1 3 372.433 0.692 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N(CC2CC2)[C@@H](C(N)=O)C2CC2)c(C)o1 ZINC001632430655 1282175464 /nfs/dbraw/zinc/17/54/64/1282175464.db2.gz INBBUQFIOYUJOQ-CQSZACIVSA-N -1 3 369.443 0.612 10 0 FCAEHM O=C(N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1)c1cc(F)cc2n[n-]nc21 ZINC001632719724 1282201085 /nfs/dbraw/zinc/20/10/85/1282201085.db2.gz DSNMTXXAKSTEDK-BONVTDFDSA-N -1 3 368.390 0.563 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCCN2CCC3(C2)OCCO3)c1 ZINC001585225787 1282216086 /nfs/dbraw/zinc/21/60/86/1282216086.db2.gz ZUCKMTOIGZVBTE-UHFFFAOYSA-N -1 3 361.398 0.695 10 0 FCAEHM Cn1cnnc1[C@H](CO)[N-]C(=O)C(F)(F)n1cc(-c2ccccc2)nn1 ZINC001585236974 1282216900 /nfs/dbraw/zinc/21/69/00/1282216900.db2.gz KBUKZSFSVSFXEU-LBPRGKRZSA-N -1 3 363.328 0.473 10 0 FCAEHM O=C([N-]c1ccc[n+]([O-])c1)c1sccc1S(=O)(=O)N1CCOCC1 ZINC001585845427 1282247268 /nfs/dbraw/zinc/24/72/68/1282247268.db2.gz HYIXEVXSMJINLN-UHFFFAOYSA-N -1 3 369.424 0.655 10 0 FCAEHM C[C@@H](C(=O)NCCCc1c[n-][nH]c1=O)c1ccc(S(C)(=O)=O)cc1 ZINC001585937752 1282259292 /nfs/dbraw/zinc/25/92/92/1282259292.db2.gz ODGDRPNWALZLEL-YPMHNXCESA-N -1 3 351.428 0.822 10 0 FCAEHM CN(CCn1cccn1)C(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001633652347 1282262701 /nfs/dbraw/zinc/26/27/01/1282262701.db2.gz CCNDGKOPBWKLOB-UHFFFAOYSA-N -1 3 357.345 0.843 10 0 FCAEHM CN(CCn1cccn1)C(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001633652347 1282262709 /nfs/dbraw/zinc/26/27/09/1282262709.db2.gz CCNDGKOPBWKLOB-UHFFFAOYSA-N -1 3 357.345 0.843 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)NCCC[C@@H]2CCOC2=O)ccc1F ZINC001633876107 1282280972 /nfs/dbraw/zinc/28/09/72/1282280972.db2.gz CELBVYKIWMLFAQ-SNVBAGLBSA-N -1 3 358.391 0.807 10 0 FCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC([C@H](F)C(N)=O)CC2)c(C)o1 ZINC001586490107 1282298675 /nfs/dbraw/zinc/29/86/75/1282298675.db2.gz ULNXSACLHBNLHM-LBPRGKRZSA-N -1 3 361.395 0.172 10 0 FCAEHM C[C@@H](C(=O)NCCCc1c[n-][nH]c1=O)S(=O)(=O)c1ccc(F)cc1 ZINC001634142899 1282303338 /nfs/dbraw/zinc/30/33/38/1282303338.db2.gz CCLADBNYGDUMCA-WDEREUQCSA-N -1 3 355.391 0.616 10 0 FCAEHM Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)NCCc2n[n-]c(=S)o2)cn1 ZINC001634591153 1282337760 /nfs/dbraw/zinc/33/77/60/1282337760.db2.gz SKCCCGCQKBLMIY-VXGBXAGGSA-N -1 3 350.448 0.486 10 0 FCAEHM COC1CCN(CCNC(=O)c2nc[n-]c(=O)c2Br)CC1 ZINC001587277964 1282344705 /nfs/dbraw/zinc/34/47/05/1282344705.db2.gz NYZQVECCVRLFOZ-UHFFFAOYSA-N -1 3 359.224 0.785 10 0 FCAEHM COc1ncc(C=CC(=O)N[C@H]2CCN(c3nc(C)cc(=O)[n-]3)C2)cn1 ZINC001634682501 1282345491 /nfs/dbraw/zinc/34/54/91/1282345491.db2.gz ADYOGQWHOZBHIA-SCOBNMCVSA-N -1 3 356.386 0.698 10 0 FCAEHM CCOC(=O)[C@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)[C@@H](O)c1ccncc1 ZINC001634776605 1282355256 /nfs/dbraw/zinc/35/52/56/1282355256.db2.gz MEOVZOMUWBATIF-CABCVRRESA-N -1 3 372.381 0.850 10 0 FCAEHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cc(=O)n(C)cc1Br ZINC001635079558 1282376674 /nfs/dbraw/zinc/37/66/74/1282376674.db2.gz OIGFQCRBTMPULZ-UHFFFAOYSA-N -1 3 355.148 0.910 10 0 FCAEHM COC(=O)CN(CCN1CCN(C)CC1)C(=O)c1ccc(F)c([O-])c1 ZINC001635142770 1282383514 /nfs/dbraw/zinc/38/35/14/1282383514.db2.gz NLOVMMVAIXVWCG-UHFFFAOYSA-N -1 3 353.394 0.394 10 0 FCAEHM O=C(c1ncc(Br)cc1[O-])N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC001635980745 1282449289 /nfs/dbraw/zinc/44/92/89/1282449289.db2.gz LJIWFJXSSFLQFH-QWRGUYRKSA-N -1 3 356.220 0.831 10 0 FCAEHM COCCn1cc(CNC(=O)c2nnc3ccccc3c2[O-])c(=O)[nH]c1=O ZINC001636517899 1282510744 /nfs/dbraw/zinc/51/07/44/1282510744.db2.gz CBJUVFUAJDITKC-UHFFFAOYSA-N -1 3 371.353 0.174 10 0 FCAEHM CCC[C@H]1CN(C(=O)CCCn2c(=O)[n-][nH]c2=O)CCN1CCOC ZINC001636612161 1282522656 /nfs/dbraw/zinc/52/26/56/1282522656.db2.gz XMWXSFMQQMDHQS-ZDUSSCGKSA-N -1 3 355.439 0.429 10 0 FCAEHM CS(=O)(=O)C1(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)CCCC1 ZINC001636854986 1282542649 /nfs/dbraw/zinc/54/26/49/1282542649.db2.gz ILJFZOMJMSOXNM-NSHDSACASA-N -1 3 354.432 0.235 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccccc1Cn1ccnn1 ZINC001636855984 1282544007 /nfs/dbraw/zinc/54/40/07/1282544007.db2.gz WXQCKZMMLYDGRT-AWEZNQCLSA-N -1 3 365.397 0.831 10 0 FCAEHM CCOC(=O)N1C[C@@H](CO)[C@@H](NC(=O)c2cc(OC)c([O-])c(OC)c2)C1 ZINC001637076383 1282561130 /nfs/dbraw/zinc/56/11/30/1282561130.db2.gz IFFCUDKJUWVZPW-RYUDHWBXSA-N -1 3 368.386 0.588 10 0 FCAEHM COc1cc2[n-]cc(C(=O)NCCCc3nnnn3C)c(=O)c2c(OC)c1 ZINC001637201725 1282577321 /nfs/dbraw/zinc/57/73/21/1282577321.db2.gz WYWVSLVCPVAOPW-UHFFFAOYSA-N -1 3 372.385 0.431 10 0 FCAEHM CCOC(=O)c1ccc(NC(=O)C2(CS(C)(=O)=O)COC2)c([O-])c1 ZINC001637639636 1282611056 /nfs/dbraw/zinc/61/10/56/1282611056.db2.gz IJAOVEUISDRLQW-UHFFFAOYSA-N -1 3 357.384 0.569 10 0 FCAEHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC1CC(CC(N)=O)C1 ZINC001637732428 1282616869 /nfs/dbraw/zinc/61/68/69/1282616869.db2.gz AXQKUGSKQMMXEY-UHFFFAOYSA-N -1 3 369.425 0.843 10 0 FCAEHM COC(=O)[C@@H]1CN(C)CCN(C(=O)c2nc[n-]c(=O)c2Br)C1 ZINC001638208644 1282673861 /nfs/dbraw/zinc/67/38/61/1282673861.db2.gz UOPLQOVEMCNACE-MRVPVSSYSA-N -1 3 373.207 0.122 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)c3cc4c(=O)[nH]c(C)cn4n3)CC2)n1 ZINC001638493278 1282701121 /nfs/dbraw/zinc/70/11/21/1282701121.db2.gz OGUSQDKPSAPMOU-UHFFFAOYSA-N -1 3 369.385 0.097 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)c3cnc4nccnc4c3)CC2)n1 ZINC001638492521 1282701493 /nfs/dbraw/zinc/70/14/93/1282701493.db2.gz BUXRVVGWDFKHHN-UHFFFAOYSA-N -1 3 351.370 0.791 10 0 FCAEHM O=C(N[C@@H]1c2ccccc2C[C@@H]1O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001638865318 1282729090 /nfs/dbraw/zinc/72/90/90/1282729090.db2.gz MTKUWIUZTXLKIT-RVSPLBMKSA-N -1 3 355.398 0.718 10 0 FCAEHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)Cc2ccc(S(N)(=O)=O)s2)n1 ZINC001639606756 1282797862 /nfs/dbraw/zinc/79/78/62/1282797862.db2.gz QCVSVQJKTIOYNX-UHFFFAOYSA-N -1 3 370.456 0.794 10 0 FCAEHM Cn1ccc(NC(=O)CNC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)n1 ZINC001639834425 1282819848 /nfs/dbraw/zinc/81/98/48/1282819848.db2.gz HCMNQQYRANRYFJ-UHFFFAOYSA-N -1 3 361.308 0.908 10 0 FCAEHM Cn1ncc2c1nc(CCC(=O)N1CC[C@@H](c3cc(=O)[nH][n-]3)C1)[nH]c2=O ZINC001640595091 1282880164 /nfs/dbraw/zinc/88/01/64/1282880164.db2.gz NTJVWTCSVHULBG-SECBINFHSA-N -1 3 357.374 0.446 10 0 FCAEHM CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)C1 ZINC001640599317 1282881174 /nfs/dbraw/zinc/88/11/74/1282881174.db2.gz AMPNZKINCTWXSB-LLVKDONJSA-N -1 3 366.418 0.803 10 0 FCAEHM Cc1cc(=O)[n-]c(CNC(=O)[C@@]2(C)C[C@H](O)CN2C(=O)OC(C)(C)C)n1 ZINC001640617293 1282883079 /nfs/dbraw/zinc/88/30/79/1282883079.db2.gz CCEHSLGORFLRDL-APPDUMDISA-N -1 3 366.418 0.867 10 0 FCAEHM Cc1cc(NCCNC(=O)CNC(=O)c2ccc([O-])cc2)n2ncnc2n1 ZINC001641206610 1282929818 /nfs/dbraw/zinc/92/98/18/1282929818.db2.gz RIEQYAAYEPICRS-UHFFFAOYSA-N -1 3 369.385 0.096 10 0 FCAEHM Cc1cc(NC(=O)CSCC(=O)NCCCc2c[n-][nH]c2=O)no1 ZINC001642446263 1283010668 /nfs/dbraw/zinc/01/06/68/1283010668.db2.gz UUPNVWNFOLOEMX-SNVBAGLBSA-N -1 3 353.404 0.283 10 0 FCAEHM NC(=O)NC1(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3ccccc3[O-])C2)CC1 ZINC001684329634 1284156003 /nfs/dbraw/zinc/15/60/03/1284156003.db2.gz JKJWPXJKJSOPFF-NWDGAFQWSA-N -1 3 360.414 0.608 10 0 FCAEHM CC[C@H](OC)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001684350302 1284160590 /nfs/dbraw/zinc/16/05/90/1284160590.db2.gz JKHDNJCJURWJHY-XQQFMLRXSA-N -1 3 350.419 0.930 10 0 FCAEHM CCCCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001719126014 1287787834 /nfs/dbraw/zinc/78/78/34/1287787834.db2.gz VVJVBJOZZHIDSH-CHWSQXEVSA-N -1 3 350.419 0.763 10 0 FCAEHM CCO[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1CNC(=O)C(C)C ZINC001702576589 1285741792 /nfs/dbraw/zinc/74/17/92/1285741792.db2.gz WLVNYPPBXKOEDN-CHWSQXEVSA-N -1 3 350.419 0.740 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@]2(F)CCOC2)n1 ZINC001702603584 1285750557 /nfs/dbraw/zinc/75/05/57/1285750557.db2.gz AZFVKIYFDQMAJH-HSOHIQCKSA-N -1 3 366.393 0.589 10 0 FCAEHM O=C(Cc1ccc[nH]1)NCc1cc(=O)[n-]c(CNC(=O)[C@]23C[C@H]2COC3)n1 ZINC001702604444 1285751354 /nfs/dbraw/zinc/75/13/54/1285751354.db2.gz QQINLHZNUYVSHV-VOJFVSQTSA-N -1 3 371.397 0.022 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)COC)CCN1C(=O)Cc1c(C)nc(C)[n-]c1=O ZINC001702612620 1285751736 /nfs/dbraw/zinc/75/17/36/1285751736.db2.gz RIUHCRAKZUPAJJ-UONOGXRCSA-N -1 3 350.419 0.484 10 0 FCAEHM CC[C@@H]1[C@@H](NC(=O)c2cn[n-]n2)CCN1C(=O)[C@H](C)NC(=O)C1CCC1 ZINC001702633688 1285763482 /nfs/dbraw/zinc/76/34/82/1285763482.db2.gz JYRHPKIRTRXXCK-VHRBIJSZSA-N -1 3 362.434 0.219 10 0 FCAEHM COC[C@@H](C)C(=O)N1C[C@@H]2CN(C(=O)c3c(C)nc[n-]c3=O)C[C@]2(C)C1 ZINC001702772613 1285851922 /nfs/dbraw/zinc/85/19/22/1285851922.db2.gz BXLHVYMLZOFNBA-BVRBVLIYSA-N -1 3 362.430 0.694 10 0 FCAEHM C[C@H](C(=O)NC[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1C)S(C)(=O)=O ZINC001702803424 1285888526 /nfs/dbraw/zinc/88/85/26/1285888526.db2.gz FXNBJARHIJHLDS-JHJVBQTASA-N -1 3 368.455 0.650 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCOC2)C1 ZINC001702831411 1285923836 /nfs/dbraw/zinc/92/38/36/1285923836.db2.gz NMHORQLFRCZQQH-BNOWGMLFSA-N -1 3 362.430 0.742 10 0 FCAEHM CCO[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc[n-]c1=O)C2)C1CC1 ZINC001702931335 1286007298 /nfs/dbraw/zinc/00/72/98/1286007298.db2.gz JJIUSMHASLIZFU-UQOMUDLDSA-N -1 3 360.414 0.859 10 0 FCAEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCc2nnc3c(=O)n(C)ccn23)c1 ZINC001593675761 1286211224 /nfs/dbraw/zinc/21/12/24/1286211224.db2.gz BJALZOGZUDAPTD-UHFFFAOYSA-N -1 3 368.353 0.188 10 0 FCAEHM Cc1cn2c(ncc(C(=O)N3CCC(Cc4nnn[n-]4)CC3)c2=O)s1 ZINC001593919694 1286221223 /nfs/dbraw/zinc/22/12/23/1286221223.db2.gz KOGFWFRANKZEGM-UHFFFAOYSA-N -1 3 359.415 0.672 10 0 FCAEHM Cc1cn2c(ncc(C(=O)N3CCC(Cc4nn[n-]n4)CC3)c2=O)s1 ZINC001593919694 1286221228 /nfs/dbraw/zinc/22/12/28/1286221228.db2.gz KOGFWFRANKZEGM-UHFFFAOYSA-N -1 3 359.415 0.672 10 0 FCAEHM C[C@](CNC(=O)c1cnc[n-]c1=O)(NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CC1 ZINC001704720098 1286289958 /nfs/dbraw/zinc/28/99/58/1286289958.db2.gz QRGMYCAJLBQISP-WHWFDMMISA-N -1 3 372.425 0.620 10 0 FCAEHM COc1ccc([O-])c(C(=O)Nc2cnn(C[C@H](O)CN(C)OC)c2)c1 ZINC001596308427 1286295544 /nfs/dbraw/zinc/29/55/44/1286295544.db2.gz HYRPELQWHVDCEY-GFCCVEGCSA-N -1 3 350.375 0.704 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)CC2)n1 ZINC001596355189 1286297195 /nfs/dbraw/zinc/29/71/95/1286297195.db2.gz LMSDIRHSHKHBFE-UHFFFAOYSA-N -1 3 358.402 0.494 10 0 FCAEHM CC[C@@H]1OCC[C@H]1C(=O)N[C@@H](CNC(=O)c1cnc[n-]c1=O)C(C)C ZINC001704851723 1286308335 /nfs/dbraw/zinc/30/83/35/1286308335.db2.gz FFHSXJSDIFHDIC-XBFCOCLRSA-N -1 3 350.419 0.868 10 0 FCAEHM O=C(NC[C@H](O)CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)c1ccccc1[O-] ZINC001704928492 1286320891 /nfs/dbraw/zinc/32/08/91/1286320891.db2.gz ZVYYNQIKPFAWAL-CWRNSKLLSA-N -1 3 362.426 0.662 10 0 FCAEHM O=C(NCCc1cnccn1)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001597999503 1286375112 /nfs/dbraw/zinc/37/51/12/1286375112.db2.gz HHCZNIJHRKTWKV-UHFFFAOYSA-N -1 3 355.329 0.636 10 0 FCAEHM O=C(NCCc1cnccn1)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001597999503 1286375118 /nfs/dbraw/zinc/37/51/18/1286375118.db2.gz HHCZNIJHRKTWKV-UHFFFAOYSA-N -1 3 355.329 0.636 10 0 FCAEHM CCN1CCN(C(=O)c2ccc(NC(=O)CCc3nn[n-]n3)cc2)CC1 ZINC001598321191 1286387299 /nfs/dbraw/zinc/38/72/99/1286387299.db2.gz MFXAXBCDYKGHKT-UHFFFAOYSA-N -1 3 357.418 0.549 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1CC[C@@H]2CN(C(=O)COC(C)(C)C)[C@@H]2C1 ZINC001735974076 1289102022 /nfs/dbraw/zinc/10/20/22/1289102022.db2.gz UYHNBISZXNNJFS-CHWSQXEVSA-N -1 3 362.430 0.979 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@H]1CCN(CCCS(C)(=O)=O)[C@@H]1C ZINC001707261560 1287116989 /nfs/dbraw/zinc/11/69/89/1287116989.db2.gz WETJSTZLEZXIOM-NEPJUHHUSA-N -1 3 356.448 0.118 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1NC(=O)CCCn1cccn1 ZINC001719172177 1287824406 /nfs/dbraw/zinc/82/44/06/1287824406.db2.gz HJRHWYZMHXFUIJ-TZMCWYRMSA-N -1 3 358.402 0.436 10 0 FCAEHM C[C@@H]1CN(C(=O)COCC2CC2)C[C@H]1NC(=O)c1cccc2n[n-]nc21 ZINC001719172855 1287826406 /nfs/dbraw/zinc/82/64/06/1287826406.db2.gz QFHNUZQRQLNHPJ-IAQYHMDHSA-N -1 3 357.414 0.961 10 0 FCAEHM C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1NC(=O)CCc1ccncn1 ZINC001719175226 1287828276 /nfs/dbraw/zinc/82/82/76/1287828276.db2.gz MEKITFDSTLBBSX-BXUZGUMPSA-N -1 3 356.386 0.182 10 0 FCAEHM CC[C@@H]1C[C@H]1C(=O)NCc1cc(=O)[n-]c(CNC(=O)C[C@H](C)OC)n1 ZINC001719522166 1288166437 /nfs/dbraw/zinc/16/64/37/1288166437.db2.gz BECYZNJMANTUME-DMDPSCGWSA-N -1 3 350.419 0.886 10 0 FCAEHM CCOC(=O)c1cccc2[n-]c(NC(=O)CN3C(=O)CN(C)C3=O)nc21 ZINC001606607833 1288405705 /nfs/dbraw/zinc/40/57/05/1288405705.db2.gz AOMBTJZMRHAKSL-UHFFFAOYSA-N -1 3 359.342 0.572 10 0 FCAEHM C[C@H](CNC(=O)c1cc(=O)[n-]c(C2CC2)n1)N(C)C(=O)[C@]12C[C@H]1COC2 ZINC001725989556 1288484526 /nfs/dbraw/zinc/48/45/26/1288484526.db2.gz GJBZDEZKOOSMPM-MYFIVHGGSA-N -1 3 360.414 0.673 10 0 FCAEHM CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)NCc1nc(=O)n(C)[n-]1 ZINC001732564491 1288585590 /nfs/dbraw/zinc/58/55/90/1288585590.db2.gz ZKFJTKUEBAOYKC-ZNMIVQPWSA-N -1 3 358.446 0.538 10 0 FCAEHM Cc1nc(C)c(CC(=O)N2C[C@@H](C)[C@H](NC(=O)COC(C)C)C2)c(=O)[n-]1 ZINC001735806651 1288919655 /nfs/dbraw/zinc/91/96/55/1288919655.db2.gz TUDUBEIEKXACBI-IAQYHMDHSA-N -1 3 364.446 0.730 10 0 FCAEHM C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1CCNC(=O)c1ccccc1[O-] ZINC001736394776 1289307025 /nfs/dbraw/zinc/30/70/25/1289307025.db2.gz RAQSYFZFHABHJQ-CHWSQXEVSA-N -1 3 358.402 0.293 10 0 FCAEHM COCCCOCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc[n-]c1=O)C2 ZINC001736490181 1289389036 /nfs/dbraw/zinc/38/90/36/1289389036.db2.gz LPJQKODMHKIZQR-XBFCOCLRSA-N -1 3 364.402 0.097 10 0 FCAEHM O=C(NC1(CCO)CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1)c1ccccc1[O-] ZINC001701257268 1289646715 /nfs/dbraw/zinc/64/67/15/1289646715.db2.gz FIAYRHXSCUIOFU-XPKDYRNWSA-N -1 3 360.410 0.653 10 0 FCAEHM O=C(CN1CCCC1)N1CCN(C(=O)c2s[n-]c(=O)c2Cl)CC1 ZINC001611514483 1289654295 /nfs/dbraw/zinc/65/42/95/1289654295.db2.gz VPTHBPKPXWOEOQ-UHFFFAOYSA-N -1 3 358.851 0.882 10 0 FCAEHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N[C@@H]1CCCn2nccc21 ZINC001611631047 1289663800 /nfs/dbraw/zinc/66/38/00/1289663800.db2.gz XFTOWGRTWNEFJV-LLVKDONJSA-N -1 3 353.404 0.418 10 0 FCAEHM Cc1nc(C)c(CC(=O)N(C)C[C@H](C)NC(=O)[C@]23C[C@H]2COC3)c(=O)[n-]1 ZINC001701619929 1289671458 /nfs/dbraw/zinc/67/14/58/1289671458.db2.gz CIXHKBCPUTVMNS-IMQJOWEQSA-N -1 3 362.430 0.341 10 0 FCAEHM CCC[C@@H]1C[C@H]1C(=O)N[C@H](CO)CNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001738892083 1289753858 /nfs/dbraw/zinc/75/38/58/1289753858.db2.gz VJUADFVWMJJMIM-FRRDWIJNSA-N -1 3 362.430 0.703 10 0 FCAEHM Cc1[n-][nH]c(=O)c1CCNC(=O)C=Cc1cc2cnn(C(C)C)c2[nH]c1=O ZINC001615925556 1289765070 /nfs/dbraw/zinc/76/50/70/1289765070.db2.gz LQLAAASZKZEHEY-ISZGNANSSA-N -1 3 370.413 0.947 10 0 FCAEHM COc1ccccc1-c1nnc(CC(=O)NCCc2c(C)[n-][nH]c2=O)o1 ZINC001615964205 1289767254 /nfs/dbraw/zinc/76/72/54/1289767254.db2.gz YDELYIHRQHOFMM-NSHDSACASA-N -1 3 357.370 0.916 10 0 FCAEHM CCCCCCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001702185753 1289809289 /nfs/dbraw/zinc/80/92/89/1289809289.db2.gz NVHONJQVDMWEJN-ZIAGYGMSSA-N -1 3 366.418 0.081 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCc2ccoc2)C1 ZINC001739410613 1289928534 /nfs/dbraw/zinc/92/85/34/1289928534.db2.gz DCRKACTZCFMOKQ-CHWSQXEVSA-N -1 3 360.370 0.018 10 0 FCAEHM CO[C@@H]1CN(C(=O)Cc2c(C)nc(C)[n-]c2=O)C[C@H]1NC(=O)C=C(C)C ZINC001702293755 1289975052 /nfs/dbraw/zinc/97/50/52/1289975052.db2.gz DNFPUKGGQUXZQQ-HUUCEWRRSA-N -1 3 362.430 0.650 10 0 FCAEHM Nc1nn2c([n-]1)nc(CN[C@H](CO)c1cccc(C(F)(F)F)c1)cc2=O ZINC001620497274 1289994148 /nfs/dbraw/zinc/99/41/48/1289994148.db2.gz JVMZDKYCTVZOIR-LLVKDONJSA-N -1 3 368.319 0.842 10 0 FCAEHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CN(C(=O)C[C@H](C)C(C)(C)C)C[C@H]1O ZINC001739455710 1290028674 /nfs/dbraw/zinc/02/86/74/1290028674.db2.gz PDAMEALAELNWNP-CYZMBNFOSA-N -1 3 364.446 0.864 10 0 FCAEHM COCCC[C@H](C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001739521649 1290109600 /nfs/dbraw/zinc/10/96/00/1290109600.db2.gz OWUZLQPMMCVENH-OUCADQQQSA-N -1 3 350.419 0.822 10 0 FCAEHM CC/C=C(/C)C(=O)N1C[C@@H](NC(=O)CCc2c(C)nc[n-]c2=O)[C@@H](O)C1 ZINC001702369039 1290147923 /nfs/dbraw/zinc/14/79/23/1290147923.db2.gz FCCNDBPPGBUIFY-WDXBHHQGSA-N -1 3 362.430 0.467 10 0 FCAEHM O=C(NCCNC(=O)[C@@H]1CNC(=O)C[C@H]1C(F)(F)F)c1ccc([O-])cc1 ZINC001622744070 1290182576 /nfs/dbraw/zinc/18/25/76/1290182576.db2.gz VMXVBTVHRGJCNF-VXGBXAGGSA-N -1 3 373.331 0.553 10 0 FCAEHM O=C(NCCNC(=O)c1cnc2c(c1)NC(=O)CS2)c1ccc([O-])cc1 ZINC001622744007 1290182761 /nfs/dbraw/zinc/18/27/61/1290182761.db2.gz SGYMIJMRBWMMKN-UHFFFAOYSA-N -1 3 372.406 0.991 10 0 FCAEHM O=C(Nc1cc(N2CCCS2(=O)=O)ccc1O)c1cc(=O)[n-]cn1 ZINC001624555996 1290280407 /nfs/dbraw/zinc/28/04/07/1290280407.db2.gz SRLHKWVTDOJHJK-UHFFFAOYSA-N -1 3 350.356 0.680 10 0 FCAEHM C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001624946294 1290308027 /nfs/dbraw/zinc/30/80/27/1290308027.db2.gz XTUBCFBYWVHRSQ-WDEREUQCSA-N -1 3 374.372 0.600 10 0 FCAEHM C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001624946294 1290308038 /nfs/dbraw/zinc/30/80/38/1290308038.db2.gz XTUBCFBYWVHRSQ-WDEREUQCSA-N -1 3 374.372 0.600 10 0 FCAEHM NS(=O)(=O)c1ccc(SCC(=O)NCCCc2cc(=O)[nH][n-]2)cc1 ZINC001625584001 1290351960 /nfs/dbraw/zinc/35/19/60/1290351960.db2.gz PIWVJMJXGBFCGE-UHFFFAOYSA-N -1 3 370.456 0.198 10 0 FCAEHM O=C(c1nc[n-]c(=O)c1Br)N1CCN(C[C@H]2CCOC2)CC1 ZINC001626712879 1290412434 /nfs/dbraw/zinc/41/24/34/1290412434.db2.gz CUASQYKLWOIVQP-SNVBAGLBSA-N -1 3 371.235 0.739 10 0 FCAEHM COCCO[C@H](C)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2cnc[n-]c2=O)C1 ZINC001739889204 1290424416 /nfs/dbraw/zinc/42/44/16/1290424416.db2.gz VONYDTHBDGFRKJ-FRRDWIJNSA-N -1 3 366.418 0.248 10 0 FCAEHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)/C=C/CN1CCOCC1 ZINC001627090600 1290436216 /nfs/dbraw/zinc/43/62/16/1290436216.db2.gz KRLJHCGARJBISG-HXINVUTJSA-N -1 3 362.430 0.755 10 0 FCAEHM CC(C)CC(=O)NCc1nc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc(=O)[n-]1 ZINC001739980609 1290457729 /nfs/dbraw/zinc/45/77/29/1290457729.db2.gz MWMLAEJCRCGRQU-MTVAPTMQSA-N -1 3 374.441 0.884 10 0 FCAEHM O=C(C=C1CCC1)NCc1nc(CNC(=O)[C@]23C[C@H]2COC3)cc(=O)[n-]1 ZINC001739981829 1290458692 /nfs/dbraw/zinc/45/86/92/1290458692.db2.gz BNKBQGOOLMPXCN-SGTLLEGYSA-N -1 3 358.398 0.561 10 0 FCAEHM CC[C@H](F)C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@@H]2CCO[C@H]2CC)n1 ZINC001739983217 1290458916 /nfs/dbraw/zinc/45/89/16/1290458916.db2.gz PTZNPNURZONPJZ-AGIUHOORSA-N -1 3 368.409 0.978 10 0 FCAEHM CC[C@H](F)C(=O)NCc1nc(CNC(=O)[C@@H]2CCO[C@H]2CC)cc(=O)[n-]1 ZINC001739983494 1290459022 /nfs/dbraw/zinc/45/90/22/1290459022.db2.gz SHKULCMWXNGCEC-AGIUHOORSA-N -1 3 368.409 0.978 10 0 FCAEHM COC(=O)Cc1nc(NC(=O)[C@@H]2CCCN(CC(F)(F)F)C2=O)n[n-]1 ZINC001628595896 1290542762 /nfs/dbraw/zinc/54/27/62/1290542762.db2.gz KBUYWVRCYBFCNQ-ZETCQYMHSA-N -1 3 363.296 0.260 10 0 FCAEHM COc1ccc(CNC(=O)C=CC(=O)NCCCc2cc(=O)[nH][n-]2)cc1 ZINC001629043997 1290572742 /nfs/dbraw/zinc/57/27/42/1290572742.db2.gz VZMXXIUDXLCXFG-CMDGGOBGSA-N -1 3 358.398 0.640 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC001630632512 1290682423 /nfs/dbraw/zinc/68/24/23/1290682423.db2.gz VDJSKFOQMNBRIC-CYBMUJFWSA-N -1 3 364.427 0.468 10 0 FCAEHM Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)NCCCc1c[n-][nH]c1=O ZINC001630631499 1290682479 /nfs/dbraw/zinc/68/24/79/1290682479.db2.gz KHPNQIOOTYEPIN-LBPRGKRZSA-N -1 3 372.429 0.852 10 0 FCAEHM Cc1nnnn1C(=Cc1ccc(F)cc1)C(=O)NCCCc1c[n-][nH]c1=O ZINC001630631667 1290683476 /nfs/dbraw/zinc/68/34/76/1290683476.db2.gz LUOZQBCKSUOQMJ-NCPSJORJSA-N -1 3 371.376 0.747 10 0 FCAEHM CCn1c(=O)[nH]c2cc(C(=O)NCCCc3c[n-][nH]c3=O)ccc2c1=O ZINC001630632887 1290684881 /nfs/dbraw/zinc/68/48/81/1290684881.db2.gz YYLPTHSNFVOQFN-NSHDSACASA-N -1 3 357.370 0.364 10 0 FCAEHM CCC1(Cn2cc(C(=O)NCc3cc(=O)[n-]c(=S)[nH]3)nn2)COC1 ZINC001644273340 1290951385 /nfs/dbraw/zinc/95/13/85/1290951385.db2.gz XQYDCUPQGPZYEE-UHFFFAOYSA-N -1 3 350.404 0.419 10 0 FCAEHM CN1CCO[C@H](C(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)C1=O ZINC001646348318 1291063975 /nfs/dbraw/zinc/06/39/75/1291063975.db2.gz VIAORRRVODLXAU-CQSZACIVSA-N -1 3 358.354 0.562 10 0 FCAEHM CN1CCO[C@H](C(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)C1=O ZINC001646348318 1291063982 /nfs/dbraw/zinc/06/39/82/1291063982.db2.gz VIAORRRVODLXAU-CQSZACIVSA-N -1 3 358.354 0.562 10 0 FCAEHM O=C(NCCCc1c[n-][nH]c1=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 ZINC001647858241 1291079272 /nfs/dbraw/zinc/07/92/72/1291079272.db2.gz GJFZABWHONSHOA-CYBMUJFWSA-N -1 3 373.388 0.932 10 0 FCAEHM Cc1ccn(C[C@](C)(O)C(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)c(=O)c1 ZINC001647878023 1291081215 /nfs/dbraw/zinc/08/12/15/1291081215.db2.gz LZBDDOVLDUDTPR-OTYXRUKQSA-N -1 3 373.335 0.922 10 0 FCAEHM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC001648022200 1291096662 /nfs/dbraw/zinc/09/66/62/1291096662.db2.gz PAAKEKXLTVTNOQ-UHFFFAOYSA-N -1 3 363.418 0.142 10 0 FCAEHM CCS(=O)(=O)N[C@H](C)C(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001648505080 1291126503 /nfs/dbraw/zinc/12/65/03/1291126503.db2.gz UCCNYQONCMIKAX-IJLUTSLNSA-N -1 3 356.448 0.652 10 0 FCAEHM Cn1ccnc1C1(O)CN(C(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)C1 ZINC001650903514 1291184610 /nfs/dbraw/zinc/18/46/10/1291184610.db2.gz MXIGSHMRMCGWQL-UHFFFAOYSA-N -1 3 360.320 0.883 10 0 FCAEHM CCOC(=O)c1nnc(CNC(=O)CN2C(=O)CCc3ccccc32)[n-]1 ZINC001650943821 1291188191 /nfs/dbraw/zinc/18/81/91/1291188191.db2.gz NFNOTHGQQXZGNW-UHFFFAOYSA-N -1 3 357.370 0.577 10 0 FCAEHM CCn1c(C)cc2n[n-]c(NC(=O)c3ccc(=O)n(CCOC)n3)c2c1=O ZINC001651095955 1291195983 /nfs/dbraw/zinc/19/59/83/1291195983.db2.gz YNSWCPOJNTYRGI-UHFFFAOYSA-N -1 3 372.385 0.508 10 0 FCAEHM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCc1n[nH]c([C@@H]2CCOC2)n1 ZINC001651148369 1291198696 /nfs/dbraw/zinc/19/86/96/1291198696.db2.gz RONBPMONOBQMJT-SCZZXKLOSA-N -1 3 363.340 0.628 10 0 FCAEHM CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)CCc2c(C)nc(C)[n-]c2=O)C1 ZINC001651260484 1291213275 /nfs/dbraw/zinc/21/32/75/1291213275.db2.gz GECRIENKNNDSDR-TZMCWYRMSA-N -1 3 366.418 0.297 10 0 FCAEHM Cc1cc(=O)[n-]c(N2CC[C@@H](Nc3nc(N)nc(C(F)(F)F)n3)C2)n1 ZINC001652225574 1291268667 /nfs/dbraw/zinc/26/86/67/1291268667.db2.gz OFPKQTBDSXBQTP-SSDOTTSWSA-N -1 3 356.312 0.967 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cccc(Cn2ccnn2)c1 ZINC001653312321 1291335131 /nfs/dbraw/zinc/33/51/31/1291335131.db2.gz HYPCEICPCQUXAF-HNNXBMFYSA-N -1 3 365.397 0.831 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)[C@]1(C2CCCC2)CCNC1=O ZINC001653312475 1291335144 /nfs/dbraw/zinc/33/51/44/1291335144.db2.gz IYRDYKQLVIBSIG-UGSOOPFHSA-N -1 3 359.430 0.574 10 0 FCAEHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cnc2c(c1)NC(=O)CS2 ZINC001653313563 1291337131 /nfs/dbraw/zinc/33/71/31/1291337131.db2.gz UXUQJMHKRYAMRE-JTQLQIEISA-N -1 3 372.410 0.630 10 0 FCAEHM Cc1nc2c(c(=O)[n-]1)CN(CC(=O)NCCOc1ccc3c(c1)OCO3)C2 ZINC001654418859 1291410464 /nfs/dbraw/zinc/41/04/64/1291410464.db2.gz PMWPLHHQYRLJDE-UHFFFAOYSA-N -1 3 372.381 0.730 10 0 FCAEHM O=C(CNC(=O)c1ccc([O-])cc1)Nc1ccc(CN2CCOCC2)cn1 ZINC001654466971 1291411804 /nfs/dbraw/zinc/41/18/04/1291411804.db2.gz HNBZGHIFZTVXTO-UHFFFAOYSA-N -1 3 370.409 0.988 10 0 FCAEHM O[C@H](CN1CCC(Cc2nn[n-]n2)CC1)c1cc(Br)no1 ZINC001654682543 1291426907 /nfs/dbraw/zinc/42/69/07/1291426907.db2.gz AHXGVBUBQUNGCB-SECBINFHSA-N -1 3 357.212 0.938 10 0 FCAEHM COC(=O)NCC(=O)N1CCC[C@@H](C)[C@H]1CCCNCc1n[nH]c(=O)[n-]1 ZINC001656608288 1291551734 /nfs/dbraw/zinc/55/17/34/1291551734.db2.gz YDGHCAMIRGFXGY-VXGBXAGGSA-N -1 3 368.438 0.363 10 0 FCAEHM O=C(NCC[C@@H]1CNC(=O)C1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001675807835 1292185961 /nfs/dbraw/zinc/18/59/61/1292185961.db2.gz HPPATMKKRZLKSD-ZDUSSCGKSA-N -1 3 360.414 0.386 10 0 FCAEHM COC(=O)[C@@H]1CCN(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)C[C@@H]1C ZINC001676589452 1292211178 /nfs/dbraw/zinc/21/11/78/1292211178.db2.gz XJSUWQOCBBVCHT-YNEHKIRRSA-N -1 3 363.418 0.602 10 0 FCAEHM O=C(NC[C@@H]1CCCCS1(=O)=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001679411849 1292303809 /nfs/dbraw/zinc/30/38/09/1292303809.db2.gz BWYSDACZDSWBCC-NEPJUHHUSA-N -1 3 369.447 0.027 10 0 FCAEHM CCC(=O)N[C@H](C)C(=O)N1CC[C@H](NC(=O)c2cnc[n-]c2=O)[C@H]1CC ZINC001684944046 1292376529 /nfs/dbraw/zinc/37/65/29/1292376529.db2.gz GVZCWEZITOIASI-KGYLQXTDSA-N -1 3 363.418 0.206 10 0 FCAEHM COCCC[C@@H](C)C(=O)N1CC[C@H](NC(=O)c2cnc[n-]c2=O)[C@H]1C ZINC001685282831 1292480871 /nfs/dbraw/zinc/48/08/71/1292480871.db2.gz PWRUADBETNPUFC-BZPMIXESSA-N -1 3 350.419 0.964 10 0 FCAEHM C[C@@H]1[C@@H](NC(=O)CCc2cncnc2)CCN1C(=O)c1cnc[n-]c1=O ZINC001685310359 1292493567 /nfs/dbraw/zinc/49/35/67/1292493567.db2.gz GBCSHZBHMZTXRM-RISCZKNCSA-N -1 3 356.386 0.324 10 0 FCAEHM C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1CNC(=O)C[C@@H]1CCC(=O)N1 ZINC001685712276 1292605971 /nfs/dbraw/zinc/60/59/71/1292605971.db2.gz XJOAMMZGSBSWJL-MCIONIFRSA-N -1 3 359.426 0.885 10 0 FCAEHM O=C(CCN1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccccc1[O-] ZINC001686050791 1292747966 /nfs/dbraw/zinc/74/79/66/1292747966.db2.gz KCGQJVJBPGWYQJ-PVAVHDDUSA-N -1 3 373.453 0.976 10 0 FCAEHM NC(=O)[C@@H](F)C1CCN(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)CC1 ZINC001687789465 1293012149 /nfs/dbraw/zinc/01/21/49/1293012149.db2.gz BIYUSVLGHOMXRY-RISCZKNCSA-N -1 3 366.397 0.006 10 0 FCAEHM