smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(NC(=O)COc2ccc(CCNC(=O)NCc3ccc([O-])c(F)c3)cc2)c1 ZINC001311686791 1069503281 /nfs/dbraw/zinc/50/32/81/1069503281.db2.gz AKTHOFPFEKFXSL-UHFFFAOYSA-N -1 3 451.498 3.899 20 0 JHADHM CCc1cc(Br)cc2sc(NC(=O)c3cc(S(=O)(=O)[N-]C)oc3C)nc21 ZINC001306830939 1069648295 /nfs/dbraw/zinc/64/82/95/1069648295.db2.gz MZVRENTZNPBECH-UHFFFAOYSA-N -1 3 458.359 3.683 20 0 JHADHM O=C(NCc1ccc([O-])c(Br)c1)NC[C@H]1CSCCN1Cc1ccccc1 ZINC001312297261 1069845052 /nfs/dbraw/zinc/84/50/52/1069845052.db2.gz VJWFNNFPXCAYTI-KRWDZBQOSA-N -1 3 450.402 3.572 20 0 JHADHM CC[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC001312297791 1069845109 /nfs/dbraw/zinc/84/51/09/1069845109.db2.gz XGULDEMYVDAEHS-QUCCMNQESA-N -1 3 458.360 3.922 20 0 JHADHM CC(C)N(Cc1cccc(Cl)c1)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001312336375 1069871604 /nfs/dbraw/zinc/87/16/04/1069871604.db2.gz PUWYTIRLSKDCKI-UHFFFAOYSA-N -1 3 450.413 3.953 20 0 JHADHM CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)NCCn1c2ccccc2c2ccccc21 ZINC001312357141 1069883954 /nfs/dbraw/zinc/88/39/54/1069883954.db2.gz NUZQSCNNSDRGMC-UHFFFAOYSA-N -1 3 454.527 3.805 20 0 JHADHM Cc1ccccc1C1CCN(C(=O)NCc2nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]2)CC1 ZINC001313044493 1070233613 /nfs/dbraw/zinc/23/36/13/1070233613.db2.gz IIYOYKZSYGXZLQ-UHFFFAOYSA-N -1 3 455.559 3.605 20 0 JHADHM COc1ccc([C@H](C[N-]S(=O)(=O)c2cccc(Br)c2F)N2CCCC2)cc1 ZINC001309011306 1070482572 /nfs/dbraw/zinc/48/25/72/1070482572.db2.gz PPEYFHJKUBIOSH-KRWDZBQOSA-N -1 3 457.365 3.712 20 0 JHADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](c2ccccc2Cl)N2CCCC2)c(F)c1 ZINC001309029140 1070495343 /nfs/dbraw/zinc/49/53/43/1070495343.db2.gz WRGMZAMSAVRBIN-IBGZPJMESA-N -1 3 454.951 3.771 20 0 JHADHM O=S(=O)([N-]Cc1ccnc(OCC(F)(F)F)c1)c1c(Cl)cccc1Br ZINC001309062603 1070516409 /nfs/dbraw/zinc/51/64/09/1070516409.db2.gz SACPRCANELJZID-UHFFFAOYSA-N -1 3 459.671 3.917 20 0 JHADHM CCCN([C@H]1CCc2ccccc21)S(=O)(=O)c1ccc([N-]S(=O)(=O)CC)cc1OC ZINC001309105902 1070543333 /nfs/dbraw/zinc/54/33/33/1070543333.db2.gz GJNPCYNELBIRKY-IBGZPJMESA-N -1 3 452.598 3.545 20 0 JHADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccc(N3CCOC3=O)cc2)c(F)cc1Br ZINC001309104107 1070542411 /nfs/dbraw/zinc/54/24/11/1070542411.db2.gz MMCQFZKRNJARIY-LBPRGKRZSA-N -1 3 457.321 3.893 20 0 JHADHM O=C(c1ccccc1)N1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Br)C1 ZINC001309121914 1070550950 /nfs/dbraw/zinc/55/09/50/1070550950.db2.gz GDAHCYDYCPKURT-HNNXBMFYSA-N -1 3 457.777 3.686 20 0 JHADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC(n3c(C)ccc3C)CC2)cc1 ZINC001309141439 1070564092 /nfs/dbraw/zinc/56/40/92/1070564092.db2.gz AENWHAICXDWJAN-UHFFFAOYSA-N -1 3 453.630 3.673 20 0 JHADHM O=S(=O)([N-]CCCc1nc2c(s1)CCCC2)c1cnc(Cl)c(Br)c1 ZINC001309147959 1070567928 /nfs/dbraw/zinc/56/79/28/1070567928.db2.gz FVFUGRCRTBKCHQ-UHFFFAOYSA-N -1 3 450.811 3.744 20 0 JHADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@@H]2CCCCN2Cc2cccc(Cl)c2)c1 ZINC001309157857 1070575715 /nfs/dbraw/zinc/57/57/15/1070575715.db2.gz SAJHIJOVWWFUGG-SFHVURJKSA-N -1 3 454.951 3.599 20 0 JHADHM COc1ccc2oc([C@@H](C)[N-]S(=O)(=O)c3ccccc3S(=O)(=O)C(F)F)c(C)c2c1 ZINC001309164868 1070580732 /nfs/dbraw/zinc/58/07/32/1070580732.db2.gz YOTCKPABOWYHJT-GFCCVEGCSA-N -1 3 459.492 3.786 20 0 JHADHM COC(=O)c1sc(S(=O)(=O)[N-]CCc2ccc(Br)cc2)c(C)c1Cl ZINC001309183677 1070590916 /nfs/dbraw/zinc/59/09/16/1070590916.db2.gz RYCMCTCELUILOI-UHFFFAOYSA-N -1 3 452.779 3.780 20 0 JHADHM COc1ccccc1-c1noc([C@H](C)[N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)n1 ZINC001309254108 1070647504 /nfs/dbraw/zinc/64/75/04/1070647504.db2.gz YSFFARXADXUKSJ-AWEZNQCLSA-N -1 3 458.540 3.769 20 0 JHADHM O=S(=O)([N-][C@H]1CC=C(c2ccc(F)cc2)CC1)c1cnn2cc(Br)cnc12 ZINC001309350006 1070714606 /nfs/dbraw/zinc/71/46/06/1070714606.db2.gz YYMYVYLJTLBDOO-INIZCTEOSA-N -1 3 451.321 3.545 20 0 JHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(S(=O)(=O)CCc2cccc(Cl)c2)CC1 ZINC001309366353 1070727397 /nfs/dbraw/zinc/72/73/97/1070727397.db2.gz FVYVXEZEKIOXRS-UHFFFAOYSA-N -1 3 457.379 3.922 20 0 JHADHM COC(=O)CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001309370603 1070729875 /nfs/dbraw/zinc/72/98/75/1070729875.db2.gz SMRPYCPNLZHHSK-CYBMUJFWSA-N -1 3 450.866 3.597 20 0 JHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCO[C@H](C3CC3)C2)c(Br)c1 ZINC001309382242 1070735886 /nfs/dbraw/zinc/73/58/86/1070735886.db2.gz FACOENGFLFVEJV-RISCZKNCSA-N -1 3 453.196 3.756 20 0 JHADHM Cc1cc(S(=O)(=O)[N-]CCc2ccc(OCC(F)(F)F)nc2)sc1Br ZINC001309425239 1070762463 /nfs/dbraw/zinc/76/24/63/1070762463.db2.gz HRSFZQFVSJMTCS-UHFFFAOYSA-N -1 3 459.309 3.676 20 0 JHADHM C[C@@](O)(C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1)c1ccccc1Br ZINC001309443968 1070774137 /nfs/dbraw/zinc/77/41/37/1070774137.db2.gz CWBNRZDCNZEZNB-GOSISDBHSA-N -1 3 453.383 3.759 20 0 JHADHM CC[C@@]([N-]S(=O)(=O)c1c[nH]c2cc(Br)ccc21)(C(=O)OC)c1ccccc1 ZINC001309487600 1070802150 /nfs/dbraw/zinc/80/21/50/1070802150.db2.gz KQTGXBZGIRSXBI-IBGZPJMESA-N -1 3 451.342 3.687 20 0 JHADHM CC[C@]([N-]S(=O)(=O)c1ccc(NC(=O)OC)c(C)c1)(C(=O)OC)c1ccc(Cl)cc1 ZINC001309487758 1070802819 /nfs/dbraw/zinc/80/28/19/1070802819.db2.gz IDGJAGHVMKZSKN-HXUWFJFHSA-N -1 3 454.932 3.584 20 0 JHADHM C[C@@H](c1ccccc1F)N1CCC[C@H]([N-]S(=O)(=O)c2csnc2-c2ccccc2)C1=O ZINC001309524379 1070827499 /nfs/dbraw/zinc/82/74/99/1070827499.db2.gz UDSVLHMDLRILMN-KXBFYZLASA-N -1 3 459.568 3.980 20 0 JHADHM Cc1cc(S(=O)(=O)[N-]C2(C(=O)OCc3ccccc3)CCC2)c(F)cc1Br ZINC001309571376 1070863922 /nfs/dbraw/zinc/86/39/22/1070863922.db2.gz RLJQYOFCNFXKDR-UHFFFAOYSA-N -1 3 456.333 3.841 20 0 JHADHM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CN1C(=O)OC(C)(C)C ZINC001309743492 1070948477 /nfs/dbraw/zinc/94/84/77/1070948477.db2.gz YNSPEMVYVWFXFX-RYUDHWBXSA-N -1 3 456.458 3.791 20 0 JHADHM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CN1C(=O)OC(C)(C)C ZINC001309743488 1070948601 /nfs/dbraw/zinc/94/86/01/1070948601.db2.gz YNSPEMVYVWFXFX-NEPJUHHUSA-N -1 3 456.458 3.791 20 0 JHADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC001309759467 1070956768 /nfs/dbraw/zinc/95/67/68/1070956768.db2.gz FRKWYDBLOZCHKD-ZBFHGGJFSA-N -1 3 466.275 3.684 20 0 JHADHM Cc1sc2ccc(Cl)cc2c1S(=O)(=O)N[C@@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001309773055 1070962560 /nfs/dbraw/zinc/96/25/60/1070962560.db2.gz VCSIVQBUOWDGCY-MNOVXSKESA-N -1 3 453.973 3.905 20 0 JHADHM Cc1nc(S(=O)(=O)[N-]C[C@H]2CN(Cc3ccc(C)cc3)CCO2)c(-c2ccccc2)s1 ZINC001309777175 1070963979 /nfs/dbraw/zinc/96/39/79/1070963979.db2.gz XDCZTCVRQURUNH-NRFANRHFSA-N -1 3 457.621 3.606 20 0 JHADHM CC(C)n1ncc2cc(NC(=O)NCC[N-]S(=O)(=O)c3ccc(Cl)cc3F)ccc21 ZINC001310297427 1071280970 /nfs/dbraw/zinc/28/09/70/1071280970.db2.gz OFPDTFRFUFBPAI-UHFFFAOYSA-N -1 3 453.927 3.510 20 0 JHADHM CC(C)c1noc(Cc2ccc(NC(=O)N3CCC[C@@H](C[N-]C(=O)C(F)(F)F)C3)cc2)n1 ZINC001310711642 1069126847 /nfs/dbraw/zinc/12/68/47/1069126847.db2.gz QUWMINDFBPSZFR-HNNXBMFYSA-N -1 3 453.465 3.706 20 0 JHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)N3CC[C@H]3[C@@H]3CCCOC3)c2)cc1 ZINC001310798022 1069167807 /nfs/dbraw/zinc/16/78/07/1069167807.db2.gz VETXNJOEIYHWIN-VGSWGCGISA-N -1 3 459.568 3.837 20 0 JHADHM CCCC(O)(CCC)Cn1c(C2CCC2)nnc1N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001306596534 1069270071 /nfs/dbraw/zinc/27/00/71/1069270071.db2.gz RDADWLDRTWOSEP-UHFFFAOYSA-N -1 3 455.603 3.545 20 0 JHADHM CC(F)(F)c1cc(F)ccc1NC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC001311138481 1069281952 /nfs/dbraw/zinc/28/19/52/1069281952.db2.gz ZCNUCUDTTMWRKF-UHFFFAOYSA-N -1 3 453.845 3.830 20 0 JHADHM CCOc1ccc([N-]S(=O)(=O)c2cccnc2N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)cc1 ZINC001164729330 720418918 /nfs/dbraw/zinc/41/89/18/720418918.db2.gz HADTZOUEACODBZ-GOTSBHOMSA-N -1 3 479.606 3.529 20 0 JHADHM CC(C)(C)OC(=O)NCc1cc(=O)[n-]c(CNC(=O)NCC2(c3ccccc3)CCCC2)n1 ZINC001311473684 1069395620 /nfs/dbraw/zinc/39/56/20/1069395620.db2.gz ZOUGDFNKFQOBBZ-UHFFFAOYSA-N -1 3 455.559 3.518 20 0 JHADHM CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC001312293793 1069842829 /nfs/dbraw/zinc/84/28/29/1069842829.db2.gz DGZQYQXKNHMKJE-AWEZNQCLSA-N -1 3 456.381 3.991 20 0 JHADHM COC(=O)[C@@H]1CN(C(=O)NCc2ccc([O-])c(Br)c2)C[C@H]1c1ccc(Cl)cc1 ZINC001312297247 1069845523 /nfs/dbraw/zinc/84/55/23/1069845523.db2.gz VIBYNCSTHGWYFQ-JKSUJKDBSA-N -1 3 467.747 3.906 20 0 JHADHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)N1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC001312336641 1069871314 /nfs/dbraw/zinc/87/13/14/1069871314.db2.gz SYUWOOWNTXUMFI-SFHVURJKSA-N -1 3 452.001 3.783 20 0 JHADHM O=S(=O)([N-]CCNc1ncnc2c(-c3ccccc3)nsc21)c1ccc(Cl)s1 ZINC001307076698 1069887334 /nfs/dbraw/zinc/88/73/34/1069887334.db2.gz MVEMGIYFJPZVMH-UHFFFAOYSA-N -1 3 451.986 3.859 20 0 JHADHM COC(=O)c1cc(C)nc2nc(S[C@@H](Cc3ccc(F)c(F)c3F)C(C)=O)[n-]c(=O)c21 ZINC001307293181 1069930328 /nfs/dbraw/zinc/93/03/28/1069930328.db2.gz LKNZTMGWDDMQDA-ZDUSSCGKSA-N -1 3 451.426 3.535 20 0 JHADHM C[C@@H](NC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1ccc(Cl)c(Cl)c1 ZINC001312586192 1070030764 /nfs/dbraw/zinc/03/07/64/1070030764.db2.gz NJXMRMLIKQWLQQ-SNVBAGLBSA-N -1 3 452.310 3.610 20 0 JHADHM CC[C@H]1c2ccc(OC)c(OC)c2CCN1Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC001307902652 1070231765 /nfs/dbraw/zinc/23/17/65/1070231765.db2.gz XNNLRFPGFKTJBF-HNNXBMFYSA-N -1 3 457.552 3.606 20 0 JHADHM COc1ccc([C@@H]2CCN(Cc3ncc(C)c(OC)c3C)C[C@@H]2[N-]C(=O)C(F)(F)F)cc1F ZINC001307909148 1070235241 /nfs/dbraw/zinc/23/52/41/1070235241.db2.gz SHUWCFKNSZHPEM-LPHOPBHVSA-N -1 3 469.479 3.891 20 0 JHADHM Cc1c(C(=O)Nc2ccc(C)cc2C)sc2[n-]c(CN(C)[C@@H]3CCCC[C@H]3O)nc(=O)c12 ZINC001307980802 1070268434 /nfs/dbraw/zinc/26/84/34/1070268434.db2.gz IHTCWIJETFPQPD-QZTJIDSGSA-N -1 3 454.596 3.897 20 0 JHADHM COc1ccc([C@H](NC(=O)NCc2nc3c(c(=O)[n-]2)COCC3)c2ccccc2Cl)cc1 ZINC001313188330 1070286977 /nfs/dbraw/zinc/28/69/77/1070286977.db2.gz NJVTWOMJVMDQDT-NRFANRHFSA-N -1 3 454.914 3.506 20 0 JHADHM COc1ccc([C@H](NC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)c2ccccc2Cl)cc1 ZINC001313387294 1070344344 /nfs/dbraw/zinc/34/43/44/1070344344.db2.gz RPIMPULVDJQUJU-AOMKIAJQSA-N -1 3 453.930 3.512 20 0 JHADHM COc1ccc(NCc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)cc1[N-]S(C)(=O)=O ZINC001308313610 1070354976 /nfs/dbraw/zinc/35/49/76/1070354976.db2.gz RUWNNSFYCIKQAW-UHFFFAOYSA-N -1 3 454.474 3.942 20 0 JHADHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)Oc2ccc(Cl)c3cccnc23)cc1F ZINC001309012562 1070483368 /nfs/dbraw/zinc/48/33/68/1070483368.db2.gz COMDWVGRASXSIN-UHFFFAOYSA-N -1 3 458.920 3.947 20 0 JHADHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCCCN2C(=O)OC(C)(C)C)sc1Br ZINC001309117067 1070549170 /nfs/dbraw/zinc/54/91/70/1070549170.db2.gz IJFOAERFBZHOOU-GFCCVEGCSA-N -1 3 453.424 3.887 20 0 JHADHM Cc1cc(Cl)c(S(=O)(=O)[N-]C(C)(C)CNC(=O)OC(C)(C)C)c(Br)c1 ZINC001309157351 1070574801 /nfs/dbraw/zinc/57/48/01/1070574801.db2.gz SKLXINZCLZJFIF-UHFFFAOYSA-N -1 3 455.802 3.993 20 0 JHADHM CN(C)[S@@](=O)(=NS(=O)(=O)[N-]CC1(Sc2ccccc2)CCCC1)c1ccccc1 ZINC001309158313 1070575532 /nfs/dbraw/zinc/57/55/32/1070575532.db2.gz XUGPDSCGJXTFKX-NDEPHWFRSA-N -1 3 453.655 3.930 20 0 JHADHM CC(C)N(CCC[N-]S(=O)(=O)c1cc(Br)ccc1F)C(=O)OC(C)(C)C ZINC001309171353 1070583263 /nfs/dbraw/zinc/58/32/63/1070583263.db2.gz VPAAYYMOCHYJQD-UHFFFAOYSA-N -1 3 453.374 3.902 20 0 JHADHM CN1CCC[C@H](CNS(=O)(=O)c2c([O-])cccc2OC(F)(F)F)[C@H]1c1cccs1 ZINC001309219769 1070619070 /nfs/dbraw/zinc/61/90/70/1070619070.db2.gz NPLDAHRHTLERDR-WBMJQRKESA-N -1 3 450.504 3.714 20 0 JHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](CO)C2CCCCC2)c(Br)c1 ZINC001309235300 1070632778 /nfs/dbraw/zinc/63/27/78/1070632778.db2.gz JSNIOIBEDNFZAK-AWEZNQCLSA-N -1 3 455.212 3.740 20 0 JHADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H](C)[C@H](O)c1c(F)cccc1Cl ZINC001309236063 1070633730 /nfs/dbraw/zinc/63/37/30/1070633730.db2.gz ZTUSOJRQZNXCIZ-QFYYESIMSA-N -1 3 457.932 3.881 20 0 JHADHM C[C@H]([N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)C1(N2CCOCC2)CCCC1 ZINC001309295085 1070677288 /nfs/dbraw/zinc/67/72/88/1070677288.db2.gz WJZOHDBBWMPEGA-HNNXBMFYSA-N -1 3 456.033 3.775 20 0 JHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@H](C)c2nc(-c3ccccc3)no2)cc1Cl ZINC001309361676 1070722837 /nfs/dbraw/zinc/72/28/37/1070722837.db2.gz QJGMEZWNFQTUIT-NSHDSACASA-N -1 3 452.895 3.570 20 0 JHADHM Cc1nc(S(=O)(=O)[N-]Cc2ccc(S(C)(=O)=O)c(Cl)c2)c(-c2ccccc2)s1 ZINC001309398455 1070746203 /nfs/dbraw/zinc/74/62/03/1070746203.db2.gz NJCDUIQICDQQOJ-UHFFFAOYSA-N -1 3 456.998 3.654 20 0 JHADHM COC(=O)[C@H]([N-]S(=O)(=O)c1c[nH]c2cc(Br)ccc21)c1ccc(C)c(C)c1 ZINC001309430833 1070765008 /nfs/dbraw/zinc/76/50/08/1070765008.db2.gz VPHKGODJPHQELK-GOSISDBHSA-N -1 3 451.342 3.740 20 0 JHADHM Cn1ncc(S(=O)(=O)[N-]CC2(c3c(Cl)cccc3Cl)CCC2)c1Br ZINC001309449898 1070777919 /nfs/dbraw/zinc/77/79/19/1070777919.db2.gz VFCCWMTZPAWJOI-UHFFFAOYSA-N -1 3 453.189 3.890 20 0 JHADHM Cc1nc(S(=O)(=O)[N-]CCCCn2cc(Br)cn2)c(-c2ccccc2)s1 ZINC001309471878 1070791548 /nfs/dbraw/zinc/79/15/48/1070791548.db2.gz 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KPPWRASHIWROMD-LESCRADOSA-N -1 3 472.426 3.561 20 0 JHADHM COC(=O)c1cnc([C@@H](C)[N-]S(=O)(=O)Cc2ccc(Br)cc2Cl)s1 ZINC001309606632 1070881039 /nfs/dbraw/zinc/88/10/39/1070881039.db2.gz UPRCWBSAGVQGOO-MRVPVSSYSA-N -1 3 453.767 3.526 20 0 JHADHM CC(C)(C)OC(=O)NC1(C[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CCCC1 ZINC001309668552 1070913397 /nfs/dbraw/zinc/91/33/97/1070913397.db2.gz FNWXZBRLGLHANI-UHFFFAOYSA-N -1 3 456.458 3.840 20 0 JHADHM Cc1ccccc1NC1(C[N-]S(=O)(=O)N=[S@@](=O)(c2ccccc2)N(C)C)CCCC1 ZINC001309680413 1070919683 /nfs/dbraw/zinc/91/96/83/1070919683.db2.gz QVHNRWVCCIZPGF-LJAQVGFWSA-N -1 3 450.630 3.558 20 0 JHADHM O=C(N[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1F)c1ccccc1 ZINC001309699096 1070930539 /nfs/dbraw/zinc/93/05/39/1070930539.db2.gz NOELSCLNQOGHIX-IAGOWNOFSA-N -1 3 455.349 3.608 20 0 JHADHM O=S(=O)([N-]Cc1cnccc1C(F)(F)F)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC001309702069 1070931370 /nfs/dbraw/zinc/93/13/70/1070931370.db2.gz HAZRHUHCRWMDSB-LBPRGKRZSA-N -1 3 450.866 3.648 20 0 JHADHM CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)Nc1ccc2nc(-c3ccccn3)oc2c1 ZINC001310475078 1071416949 /nfs/dbraw/zinc/41/69/49/1071416949.db2.gz JDQDOVWHIBESHD-UHFFFAOYSA-N -1 3 455.471 3.722 20 0 JHADHM CC1(C)Cc2cccc(NC(=O)NCC[N-]S(=O)(=O)c3cccc(Cl)c3Cl)c2O1 ZINC001310692451 1069114994 /nfs/dbraw/zinc/11/49/94/1069114994.db2.gz QLECMOPUCDJJCL-UHFFFAOYSA-N -1 3 458.367 3.807 20 0 JHADHM O=C(Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001310842805 1069189432 /nfs/dbraw/zinc/18/94/32/1069189432.db2.gz RPERILHGCIAOFV-UHFFFAOYSA-N -1 3 459.428 3.587 20 0 JHADHM COc1ccccc1C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccccn2)c(Cl)cc1Cl ZINC000009728126 562956834 /nfs/dbraw/zinc/95/68/34/562956834.db2.gz MEXNAHKEHUTCPE-UHFFFAOYSA-N -1 3 480.373 3.806 20 0 JHADHM Fc1cccc(NC[C@@H]2CO[C@]3(C2)COCCN(C(F)(F)c2cc(Cl)nc(=S)[n-]2)C3)c1 ZINC001164729017 720495097 /nfs/dbraw/zinc/49/50/97/720495097.db2.gz QJRSVNXTXTZXJV-YJYMSZOUSA-N -1 3 474.936 3.827 20 0 JHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)NCCOc3ccc4ccccc4c3)c2)[n-]1 ZINC001311560596 1069438722 /nfs/dbraw/zinc/43/87/22/1069438722.db2.gz RCROEWGKOVBILP-UHFFFAOYSA-N -1 3 459.506 3.680 20 0 JHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)NCCOc3ccc4ccccc4c3)c2)n[n-]1 ZINC001311560596 1069438724 /nfs/dbraw/zinc/43/87/24/1069438724.db2.gz RCROEWGKOVBILP-UHFFFAOYSA-N -1 3 459.506 3.680 20 0 JHADHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)NCc1c(Cl)cccc1Cl ZINC001311722718 1069520885 /nfs/dbraw/zinc/52/08/85/1069520885.db2.gz JQIRITQDLPDHFO-UHFFFAOYSA-N -1 3 454.738 3.564 20 0 JHADHM O=C(NCc1ccc([O-])c(Br)c1)N[C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC001311952262 1069631791 /nfs/dbraw/zinc/63/17/91/1069631791.db2.gz ZRUVFGCTMQSDBU-ZDUSSCGKSA-N -1 3 456.287 3.834 20 0 JHADHM Cn1ccnc1[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1ccc(F)c(F)c1 ZINC001312294196 1069843719 /nfs/dbraw/zinc/84/37/19/1069843719.db2.gz GLXPMRNRSCQXDZ-QGZVFWFLSA-N -1 3 451.271 3.755 20 0 JHADHM CC[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC001312297787 1069845293 /nfs/dbraw/zinc/84/52/93/1069845293.db2.gz XGULDEMYVDAEHS-ICSRJNTNSA-N -1 3 458.360 3.922 20 0 JHADHM CCOC(=O)c1nnc(-c2cccc(CNc3ccc(S(=O)(=O)C(F)(F)F)cc3)c2)[n-]1 ZINC001307109831 1069892426 /nfs/dbraw/zinc/89/24/26/1069892426.db2.gz NYRWAEOSUYSZKO-UHFFFAOYSA-N -1 3 454.430 3.554 20 0 JHADHM CCOC(=O)c1nc(-c2cccc(CNc3ccc(S(=O)(=O)C(F)(F)F)cc3)c2)n[n-]1 ZINC001307109831 1069892438 /nfs/dbraw/zinc/89/24/38/1069892438.db2.gz NYRWAEOSUYSZKO-UHFFFAOYSA-N -1 3 454.430 3.554 20 0 JHADHM Cc1cccc([C@H]2CCCCCN2C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC001312584014 1070029003 /nfs/dbraw/zinc/02/90/03/1070029003.db2.gz AWTDZQJCGZMWFD-HXUWFJFHSA-N -1 3 451.539 3.878 20 0 JHADHM COC(=O)c1sc2[n-]c(CN3CCCCC[C@H]3C[C@@H](O)c3ccccc3)nc(=O)c2c1C ZINC001307530102 1070038052 /nfs/dbraw/zinc/03/80/52/1070038052.db2.gz PBIIJSDNHJBZFZ-ZWKOTPCHSA-N -1 3 455.580 3.948 20 0 JHADHM CC(C)OC(=O)Cc1nc(CN2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)cs1 ZINC001307648175 1070101028 /nfs/dbraw/zinc/10/10/28/1070101028.db2.gz LGGZPBBSXFYXPX-UHFFFAOYSA-N -1 3 451.976 3.847 20 0 JHADHM C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)N1CCC([C@@H]2OCC[C@H]2[N-]C(=O)C(F)(F)F)CC1 ZINC001307765213 1070174501 /nfs/dbraw/zinc/17/45/01/1070174501.db2.gz CZYUACHBNYWZCA-WFIKIKRESA-N -1 3 481.515 3.547 20 0 JHADHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCc4nc(C(C)(C)C)ncc4C3)nc(=O)c2c1C ZINC001307950335 1070255450 /nfs/dbraw/zinc/25/54/50/1070255450.db2.gz FRZTZCSILVWUHL-CYBMUJFWSA-N -1 3 455.584 3.677 20 0 JHADHM O=C([N-]CC[C@@H]1CN(C(=O)NCc2nc3c(s2)CCCC3)c2ccccc21)C(F)(F)F ZINC001313253533 1070306024 /nfs/dbraw/zinc/30/60/24/1070306024.db2.gz DDTXFQIMCCDECH-CYBMUJFWSA-N -1 3 452.502 3.904 20 0 JHADHM COC(=O)CC1(CNC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)CCCC1 ZINC001313375429 1070340172 /nfs/dbraw/zinc/34/01/72/1070340172.db2.gz UKFVEDNMTHSKNW-UHFFFAOYSA-N -1 3 451.951 3.529 20 0 JHADHM CCOC(=O)c1nc(C2CCN(C(=O)NCc3ccccc3SC(F)(F)F)CC2)n[n-]1 ZINC001313396222 1070347526 /nfs/dbraw/zinc/34/75/26/1070347526.db2.gz XKCNONRCMACPRN-UHFFFAOYSA-N -1 3 457.478 3.683 20 0 JHADHM CCOC(=O)c1nnc(C2CCN(C(=O)NCc3ccccc3SC(F)(F)F)CC2)[n-]1 ZINC001313396222 1070347543 /nfs/dbraw/zinc/34/75/43/1070347543.db2.gz XKCNONRCMACPRN-UHFFFAOYSA-N -1 3 457.478 3.683 20 0 JHADHM C[S@](=O)(=NS(=O)(=O)[N-]C1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccccc1 ZINC001309047642 1070505592 /nfs/dbraw/zinc/50/55/92/1070505592.db2.gz INNRAQKHPMBXLC-BPUPXMBJSA-N -1 3 452.442 3.887 20 0 JHADHM Cc1ccc(CCS(=O)(=O)[N-]C[C@@](O)(c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1 ZINC001309217678 1070616680 /nfs/dbraw/zinc/61/66/80/1070616680.db2.gz CLAPJAWMCUROPN-QGZVFWFLSA-N -1 3 455.420 3.926 20 0 JHADHM Cc1ccc(Br)c(CS(=O)(=O)[N-][C@@H]2CCN(c3cccc(Cl)c3)C2=O)c1 ZINC001309259703 1070651665 /nfs/dbraw/zinc/65/16/65/1070651665.db2.gz OXVSXFYCTMOUKB-QGZVFWFLSA-N -1 3 457.777 3.636 20 0 JHADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]CCOc1ccc(F)cc1F ZINC001309271150 1070659711 /nfs/dbraw/zinc/65/97/11/1070659711.db2.gz PMHUJIKVNABERX-UHFFFAOYSA-N -1 3 456.692 3.747 20 0 JHADHM O=S(=O)([N-]CCNc1ccc(-c2ccccc2)nn1)c1ccc(C(F)(F)F)nc1Cl ZINC001309294865 1070677405 /nfs/dbraw/zinc/67/74/05/1070677405.db2.gz OQANCGUXEWGMEE-UHFFFAOYSA-N -1 3 457.865 3.601 20 0 JHADHM CC(C)CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC001309307657 1070686614 /nfs/dbraw/zinc/68/66/14/1070686614.db2.gz ABVDUNVRBIZFFW-HNNXBMFYSA-N -1 3 456.552 3.507 20 0 JHADHM CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-][C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC001309307967 1070687484 /nfs/dbraw/zinc/68/74/84/1070687484.db2.gz ADBXZMQRZNCDKT-KSSFIOAISA-N -1 3 451.495 3.561 20 0 JHADHM COc1cc(F)cc(C[N-]S(=O)(=O)c2scc(Br)c2Br)c1 ZINC001309322194 1070697544 /nfs/dbraw/zinc/69/75/44/1070697544.db2.gz RYJALNYTSVHVGG-UHFFFAOYSA-N -1 3 459.156 3.899 20 0 JHADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](C)c2cn(C(C)(C)C)nc2C)cc1 ZINC001309377752 1070733669 /nfs/dbraw/zinc/73/36/69/1070733669.db2.gz REVSBAAVGWPOMR-MRXNPFEDSA-N -1 3 456.634 3.528 20 0 JHADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](C)c2ccc3ncsc3c2)cc1 ZINC001309421509 1070760410 /nfs/dbraw/zinc/76/04/10/1070760410.db2.gz UBGIYSBWKGPSTR-AWEZNQCLSA-N -1 3 453.611 3.878 20 0 JHADHM COc1ccc(C2=NO[C@@H](C[N-]S(=O)(=O)c3cc(Br)ccc3Cl)C2)cc1 ZINC001309435315 1070767808 /nfs/dbraw/zinc/76/78/08/1070767808.db2.gz ICWGAKRITMMZTK-CQSZACIVSA-N -1 3 459.749 3.583 20 0 JHADHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@@H](c2ccc(CC(C)C)cc2)N(C)C)c1F ZINC001309557552 1070855446 /nfs/dbraw/zinc/85/54/46/1070855446.db2.gz HBXUMUIZMWNQRV-IBGZPJMESA-N -1 3 454.539 3.531 20 0 JHADHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(F)cc2C)cc1F ZINC001309582100 1070868685 /nfs/dbraw/zinc/86/86/85/1070868685.db2.gz PHJYTUJGRNZBDC-FQEVSTJZSA-N -1 3 458.552 3.951 20 0 JHADHM O=S(=O)(Oc1cc(Cl)cc(Br)c1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001309702674 1070932020 /nfs/dbraw/zinc/93/20/20/1070932020.db2.gz KGFQDDQIGVADLA-UHFFFAOYSA-N -1 3 450.101 3.704 20 0 JHADHM O=S(=O)(Oc1cc(Cl)cc(Br)c1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001309702674 1070932032 /nfs/dbraw/zinc/93/20/32/1070932032.db2.gz KGFQDDQIGVADLA-UHFFFAOYSA-N -1 3 450.101 3.704 20 0 JHADHM Cn1ccnc1C[C@H]([N-]S(=O)(=O)c1cc(F)c(Br)cc1F)c1ccccc1 ZINC001309709762 1070935454 /nfs/dbraw/zinc/93/54/54/1070935454.db2.gz OGSPXRBIEZIWAG-INIZCTEOSA-N -1 3 456.312 3.723 20 0 JHADHM C[C@@H]1CCN(Cc2ccccc2)C[C@H]1[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC001309767260 1070959605 /nfs/dbraw/zinc/95/96/05/1070959605.db2.gz IUWWMEMAHGVBHK-CXAGYDPISA-N -1 3 458.809 3.686 20 0 JHADHM CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)NCCc2c(C)[n-][nH]c2=O)ccc1Cl ZINC001310154283 1071159344 /nfs/dbraw/zinc/15/93/44/1071159344.db2.gz GQEPZRRKXHUZCL-SFHVURJKSA-N -1 3 455.946 3.636 20 0 JHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCC[C@H]2CSc3ccccc3O2)cc1OC ZINC001310176028 1071180910 /nfs/dbraw/zinc/18/09/10/1071180910.db2.gz MMRVQDUFWCMIRS-HNNXBMFYSA-N -1 3 451.570 3.522 20 0 JHADHM COC(=O)c1scc(-c2ccc(C)cc2)c1NC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC001310704619 1069121659 /nfs/dbraw/zinc/12/16/59/1069121659.db2.gz AFYOHCRHKJTGGH-UHFFFAOYSA-N -1 3 453.520 3.767 20 0 JHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)N[C@@H]3CCC[C@@H]4OCC[C@@H]43)c2)cc1 ZINC001310797076 1069166469 /nfs/dbraw/zinc/16/64/69/1069166469.db2.gz DUTDHPNMHSAYGK-SJBKTWHCSA-N -1 3 459.568 3.884 20 0 JHADHM COC(=O)C[C@@H]1CN(C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)C[C@H]1C ZINC001310799778 1069168865 /nfs/dbraw/zinc/16/88/65/1069168865.db2.gz BLDUFGXUMIQVNW-QZTJIDSGSA-N -1 3 459.568 3.767 20 0 JHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)N2C[C@@H](C)O[C@]3(CCOC3)C2)cc1 ZINC001310801227 1069169569 /nfs/dbraw/zinc/16/95/69/1069169569.db2.gz NVFQXOVUYXFJSN-WZONZLPQSA-N -1 3 459.568 3.516 20 0 JHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)N2CCC(O)(C(F)F)CC2)cc1 ZINC001310802229 1069169622 /nfs/dbraw/zinc/16/96/22/1069169622.db2.gz WAQBGZGGTUGWMU-UHFFFAOYSA-N -1 3 453.511 3.728 20 0 JHADHM CCOC(=O)c1cccc(NC(=O)c2cccc(NC([O-])=NOC(C)(C)C(=O)OCC)c2)c1 ZINC001310833298 1069185018 /nfs/dbraw/zinc/18/50/18/1069185018.db2.gz WQIVYVUYOLIRLM-UHFFFAOYSA-N -1 3 457.483 3.510 20 0 JHADHM CCOC(=O)c1cccc(NC(=O)c2cccc(NC(=O)[N-]OC(C)(C)C(=O)OCC)c2)c1 ZINC001310833298 1069185019 /nfs/dbraw/zinc/18/50/19/1069185019.db2.gz WQIVYVUYOLIRLM-UHFFFAOYSA-N -1 3 457.483 3.510 20 0 JHADHM CC(C)n1nc(CN(C)C)c2c1CN(c1ccc(S(=O)(=O)[N-]c3cc(F)ccc3F)cn1)CC2 ZINC001164650358 719316178 /nfs/dbraw/zinc/31/61/78/719316178.db2.gz CEGMEARCYKCYGL-UHFFFAOYSA-N -1 3 490.580 3.562 20 0 JHADHM Fc1ccc(CN2CCOCC23CCN(C(F)(F)c2cc(Cl)nc(=S)[n-]2)CC3)cc1 ZINC001164673976 719518983 /nfs/dbraw/zinc/51/89/83/719518983.db2.gz WKVFHKVXNQFXFP-UHFFFAOYSA-N -1 3 458.937 3.974 20 0 JHADHM O=S(=O)([N-]c1ccc(F)c(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)c1)c1ccc(Cl)nc1 ZINC001164727666 720458430 /nfs/dbraw/zinc/45/84/30/720458430.db2.gz DWDJFQOAGWKMDS-RTWAWAEBSA-N -1 3 487.988 3.923 20 0 JHADHM O=C(N[C@@H]1CCO[C@@]2(CCN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C2)C1)c1ccccc1 ZINC001164855022 720900267 /nfs/dbraw/zinc/90/02/67/720900267.db2.gz HFFGOOPYVVBLMK-KUHUBIRLSA-N -1 3 454.930 3.522 20 0 JHADHM CC(C)N(C)Cc1cnc2n1CCN(c1ncccc1S(=O)(=O)[N-]c1cccc(F)c1)[C@@H]2C ZINC001164862555 721011830 /nfs/dbraw/zinc/01/18/30/721011830.db2.gz QYSNHBXHMPQLCD-QGZVFWFLSA-N -1 3 472.590 3.639 20 0 JHADHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)Nc1ccccc1Oc1ccccn1 ZINC001311259543 1069311068 /nfs/dbraw/zinc/31/10/68/1069311068.db2.gz NEMIQCVVPRYHPY-UHFFFAOYSA-N -1 3 452.945 3.689 20 0 JHADHM CCOc1ccc([C@H](NC(=O)Nc2n[n-]nc2C(=O)NC2CC2)c2cccc(Cl)c2)cc1 ZINC001311314530 1069322355 /nfs/dbraw/zinc/32/23/55/1069322355.db2.gz KZBUGZXXGRNXQB-SFHVURJKSA-N -1 3 454.918 3.660 20 0 JHADHM CC(C)(C)OC(=O)NCc1ccccc1NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001311318718 1069323203 /nfs/dbraw/zinc/32/32/03/1069323203.db2.gz VWXXWYKIUXCDMW-AWEZNQCLSA-N -1 3 458.481 3.634 20 0 JHADHM C[C@@H]1CCN(C(=O)NC[C@H]2CCCCN2Cc2cccc(Cl)c2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001311873430 1069590725 /nfs/dbraw/zinc/59/07/25/1069590725.db2.gz WDQBYFDQSWIPCL-LZQZEXGQSA-N -1 3 474.955 3.793 20 0 JHADHM COCCNC(=O)c1cccc(NC(=O)c2c[n-]c3ccc(Oc4ccccc4)cc3c2=O)c1 ZINC001306840730 1069654283 /nfs/dbraw/zinc/65/42/83/1069654283.db2.gz FWWUUFMZVFFNOY-UHFFFAOYSA-N -1 3 457.486 3.949 20 0 JHADHM CCOC(=O)c1oc([N-]CC(=O)Nc2ccc(Br)cc2C)nc1C(F)(F)F ZINC001306911022 1069682623 /nfs/dbraw/zinc/68/26/23/1069682623.db2.gz NWRWBXCOROBSDG-UHFFFAOYSA-N -1 3 450.211 3.992 20 0 JHADHM COc1ccc(-c2nc(CN3CCN(C(=O)NCc4ccc([O-])c(F)c4)CC3)cs2)cc1 ZINC001312073172 1069706408 /nfs/dbraw/zinc/70/64/08/1069706408.db2.gz YSFFCBNDMUDMIU-UHFFFAOYSA-N -1 3 456.543 3.691 20 0 JHADHM CCC1(O)CCN(Cc2nc(=O)c3c(C)c(C(=O)Nc4ccc(C)cc4C)sc3[n-]2)CC1 ZINC001307498892 1070018094 /nfs/dbraw/zinc/01/80/94/1070018094.db2.gz JNBDSRAGYKTSON-UHFFFAOYSA-N -1 3 454.596 3.899 20 0 JHADHM Cc1cc(CN2CCN(C(=O)c3ccccc3[O-])CC2)c(C)cc1I ZINC001307546910 1070046965 /nfs/dbraw/zinc/04/69/65/1070046965.db2.gz NVEXTEVATUHHCA-UHFFFAOYSA-N -1 3 450.320 3.572 20 0 JHADHM CN(C)C(=O)Sc1cccc(CN2CCC([C@@H]3OCC[C@H]3[N-]C(=O)C(F)(F)F)CC2)c1 ZINC001307765971 1070174433 /nfs/dbraw/zinc/17/44/33/1070174433.db2.gz MIDPZXXZUFPGPQ-MSOLQXFVSA-N -1 3 459.534 3.508 20 0 JHADHM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)NCc2nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]2)o1 ZINC001313047769 1070234804 /nfs/dbraw/zinc/23/48/04/1070234804.db2.gz ZECRDYVOTQRFMS-RHSMWYFYSA-N -1 3 459.547 3.791 20 0 JHADHM CSc1ccc(OC[C@H](O)CN2CC[C@H](c3ccccc3)[C@H]([N-]C(=O)C(F)(F)F)C2)cc1 ZINC001307945681 1070254062 /nfs/dbraw/zinc/25/40/62/1070254062.db2.gz DDIZARRGVFWFOT-DUXKGJEZSA-N -1 3 468.541 3.685 20 0 JHADHM O=C([N-]CC[C@H]1CN(C(=O)NCCc2nc3c(s2)CCC3)c2ccccc21)C(F)(F)F ZINC001313266338 1070310333 /nfs/dbraw/zinc/31/03/33/1070310333.db2.gz VFNIFRXYYXSFDH-ZDUSSCGKSA-N -1 3 452.502 3.556 20 0 JHADHM Cc1c([O-])ccc2c(CN3CCn4c(c(Br)nc4C(F)(F)F)C3)cc(=O)oc12 ZINC001308151094 1070329470 /nfs/dbraw/zinc/32/94/70/1070329470.db2.gz ZMFDEVHQOWQTSN-UHFFFAOYSA-N -1 3 458.234 3.801 20 0 JHADHM COc1cc([C@H](C)NCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)ccc1S(C)(=O)=O ZINC001308168867 1070334136 /nfs/dbraw/zinc/33/41/36/1070334136.db2.gz UVPVCBZPIBLVTG-LBPRGKRZSA-N -1 3 459.549 3.920 20 0 JHADHM CC(C)c1nn(-c2ccc(Br)cc2)cc1CN1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC001308912643 1070458173 /nfs/dbraw/zinc/45/81/73/1070458173.db2.gz DIVAODOVEOVCAC-UHFFFAOYSA-N -1 3 459.310 3.869 20 0 JHADHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1Br)c1cccc(OC)c1 ZINC001309026131 1070492873 /nfs/dbraw/zinc/49/28/73/1070492873.db2.gz PGEUOXKJDOBOAE-SFHVURJKSA-N -1 3 459.381 3.958 20 0 JHADHM CC(C)(C)OC(=O)N(CCC[N-]S(=O)(=O)c1cccc(Br)c1F)C1CC1 ZINC001309061593 1070515901 /nfs/dbraw/zinc/51/59/01/1070515901.db2.gz XGZXRQVZALRUOJ-UHFFFAOYSA-N -1 3 451.358 3.656 20 0 JHADHM O=S(=O)([N-]CCc1ccc(OC(F)(F)F)cc1)c1cnc(Cl)c(Br)c1 ZINC001309069374 1070521417 /nfs/dbraw/zinc/52/14/17/1070521417.db2.gz JLRXMRGTYFMHEG-UHFFFAOYSA-N -1 3 459.671 3.917 20 0 JHADHM CC(C)(C)OC(=O)NC[C@@](C)([N-]S(=O)(=O)c1ccc(Br)cc1F)C1CC1 ZINC001309157445 1070574741 /nfs/dbraw/zinc/57/47/41/1070574741.db2.gz QGBOWOSKOKSRAL-QGZVFWFLSA-N -1 3 451.358 3.560 20 0 JHADHM CC(C)(C)OC(=O)N1CCC[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC001309198742 1070599232 /nfs/dbraw/zinc/59/92/32/1070599232.db2.gz CZVLAPONNJSDSC-LBPRGKRZSA-N -1 3 453.786 3.780 20 0 JHADHM Cc1ccccc1[C@H](O)C[N-]S(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC001309211267 1070610960 /nfs/dbraw/zinc/61/09/60/1070610960.db2.gz OGXOAZBUIRNSTN-MRXNPFEDSA-N -1 3 453.383 3.893 20 0 JHADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)C(=O)OC(C)(C)C)c(Br)c1 ZINC001309289178 1070671850 /nfs/dbraw/zinc/67/18/50/1070671850.db2.gz CXIOUPDXDWLFGI-SECBINFHSA-N -1 3 457.184 3.529 20 0 JHADHM O=S(=O)([N-]CCc1ccc(-c2ccccc2)cc1)c1cnn2cc(Br)cnc12 ZINC001309286499 1070670407 /nfs/dbraw/zinc/67/04/07/1070670407.db2.gz FBNZJUQJTFFPAX-UHFFFAOYSA-N -1 3 457.353 3.680 20 0 JHADHM O=C(Nc1ccc(F)cc1)c1ccc(C[N-]S(=O)(=O)c2occc2Br)cc1 ZINC001309305832 1070685318 /nfs/dbraw/zinc/68/53/18/1070685318.db2.gz SBHTZYKFYXWCIK-UHFFFAOYSA-N -1 3 453.289 3.912 20 0 JHADHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)Oc2ccccc2-c2nccs2)cc1F ZINC001309344258 1070712179 /nfs/dbraw/zinc/71/21/79/1070712179.db2.gz TWJPYERBSGSNDQ-UHFFFAOYSA-N -1 3 456.542 3.869 20 0 JHADHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@H](C)c1cc(Cl)ccc1OC(F)F ZINC001309362172 1070723640 /nfs/dbraw/zinc/72/36/40/1070723640.db2.gz XVPZRURNUFACKH-MRVPVSSYSA-N -1 3 455.266 3.816 20 0 JHADHM COC(=O)[C@H](CC1CCCCC1)[N-]S(=O)(=O)C[C@@H]1CC[C@H](NC(=O)OCc2ccccc2)C1 ZINC001309402680 1070749019 /nfs/dbraw/zinc/74/90/19/1070749019.db2.gz PELLXPBEPXGHRT-FSSWDIPSSA-N -1 3 480.627 3.513 20 0 JHADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(OC(C)C)c2ccccc21)c1ccc2c(c1)CCO2 ZINC001309430376 1070765047 /nfs/dbraw/zinc/76/50/47/1070765047.db2.gz SGVRXYLBHUGSAQ-QHCPKHFHSA-N -1 3 455.532 3.755 20 0 JHADHM CCOC(=O)[C@@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC001309448242 1070777452 /nfs/dbraw/zinc/77/74/52/1070777452.db2.gz KWFUPZTUGKXBHZ-QGZVFWFLSA-N -1 3 450.969 3.916 20 0 JHADHM CC(C)[C@@H](CO)[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1Br)C(C)C ZINC001309519261 1070823934 /nfs/dbraw/zinc/82/39/34/1070823934.db2.gz ZBHVNYNZQHVCKL-IUODEOHRSA-N -1 3 457.228 3.779 20 0 JHADHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(F)cc2C)cc1F ZINC001309582101 1070869457 /nfs/dbraw/zinc/86/94/57/1070869457.db2.gz PHJYTUJGRNZBDC-HXUWFJFHSA-N -1 3 458.552 3.951 20 0 JHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)NCc1cccs1 ZINC001309623890 1070888402 /nfs/dbraw/zinc/88/84/02/1070888402.db2.gz JKRMGLIDZIEZRC-CYBMUJFWSA-N -1 3 451.795 3.537 20 0 JHADHM CC(C)(C)OC(=O)N1CC[C@](C)([N-]S(=O)(=O)c2cc(Cl)ccc2Br)C1 ZINC001309705706 1070933334 /nfs/dbraw/zinc/93/33/34/1070933334.db2.gz CRXQUSNCGCWGPX-INIZCTEOSA-N -1 3 453.786 3.780 20 0 JHADHM C[C@H]1CCN(Cc2ccccc2)C[C@H]1[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC001309767266 1070959564 /nfs/dbraw/zinc/95/95/64/1070959564.db2.gz IUWWMEMAHGVBHK-SUMWQHHRSA-N -1 3 458.809 3.686 20 0 JHADHM Cc1nc(S(=O)(=O)[N-][C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)c(-c2ccccc2)s1 ZINC001309867733 1071000027 /nfs/dbraw/zinc/00/00/27/1071000027.db2.gz YNDCMMUNPQRXGU-PKOBYXMFSA-N -1 3 463.531 3.647 20 0 JHADHM O=S(=O)([N-][C@H](C1CC1)[C@H]1CCCOC1)c1cc(Br)ccc1Br ZINC001309917257 1071016989 /nfs/dbraw/zinc/01/69/89/1071016989.db2.gz CRIRGRUPRICSGQ-XHDPSFHLSA-N -1 3 453.196 3.695 20 0 JHADHM CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)Nc1ccc(OC(F)F)c2ncccc12 ZINC001310181424 1071187087 /nfs/dbraw/zinc/18/70/87/1071187087.db2.gz XEFHQQSPHMLVQE-UHFFFAOYSA-N -1 3 454.430 3.669 20 0 JHADHM Cc1c(Br)cccc1NC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001310244627 1071231905 /nfs/dbraw/zinc/23/19/05/1071231905.db2.gz JUWWJBOJLWSVII-UHFFFAOYSA-N -1 3 452.783 3.572 20 0 JHADHM CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)Nc1ccc(F)cc1OCC(F)(F)F ZINC001310316209 1071298127 /nfs/dbraw/zinc/29/81/27/1071298127.db2.gz GWIWGYSMUAERIS-UHFFFAOYSA-N -1 3 453.389 3.599 20 0 JHADHM CCO[C@@H](CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2ccccc2[O-])CC1)C(C)C ZINC001314066428 1071913199 /nfs/dbraw/zinc/91/31/99/1071913199.db2.gz DCNZSAWGNVOCOH-QFIPXVFZSA-N -1 3 471.646 3.986 20 0 JHADHM O=C(Nc1cc(F)c(Br)c(Cl)c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001310697415 1069117498 /nfs/dbraw/zinc/11/74/98/1069117498.db2.gz SQYCUMHMVAKOQC-UHFFFAOYSA-N -1 3 456.699 3.937 20 0 JHADHM O=C(Nc1cc(-c2ccc(I)cc2)[nH]n1)c1nnc2ccccc2c1[O-] ZINC001306539478 1069187503 /nfs/dbraw/zinc/18/75/03/1069187503.db2.gz PIKQYGLZPCWXJU-UHFFFAOYSA-N -1 3 457.231 3.582 20 0 JHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)N[C@H](c3ccc(C)o3)C(F)(F)F)c2)[n-]1 ZINC001310935416 1069227198 /nfs/dbraw/zinc/22/71/98/1069227198.db2.gz FYXMNQBHSKPQQP-OAHLLOKOSA-N -1 3 451.405 3.653 20 0 JHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)N[C@H](c3ccc(C)o3)C(F)(F)F)c2)n[n-]1 ZINC001310935416 1069227213 /nfs/dbraw/zinc/22/72/13/1069227213.db2.gz FYXMNQBHSKPQQP-OAHLLOKOSA-N -1 3 451.405 3.653 20 0 JHADHM COc1ccccc1N1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CC1 ZINC000012572927 562960683 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COc1cc(Br)c(F)cc1S(=O)(=O)[N-]Cc1ccc(OC2CCCC2)nc1 ZINC001309072033 1070523083 /nfs/dbraw/zinc/52/30/83/1070523083.db2.gz UFKMTYLVSTYVSZ-UHFFFAOYSA-N -1 3 459.337 3.792 20 0 JHADHM CCCC[C@@H]([N-]S(=O)(=O)c1cnc(CC)s1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001309125684 1070552749 /nfs/dbraw/zinc/55/27/49/1070552749.db2.gz UIKOTPHFJACTLC-GOSISDBHSA-N -1 3 450.630 3.782 20 0 JHADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)cc1 ZINC001309201185 1070602120 /nfs/dbraw/zinc/60/21/20/1070602120.db2.gz RWWULGLZCBNQPU-WMZOPIPTSA-N -1 3 454.589 3.934 20 0 JHADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2noc(Cc3ccccc3)n2)c(F)cc1Br ZINC001309277216 1070663382 /nfs/dbraw/zinc/66/33/82/1070663382.db2.gz FCCIYLKXEOEXPH-GFCCVEGCSA-N -1 3 454.321 3.910 20 0 JHADHM CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-][C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC001309305988 1070686185 /nfs/dbraw/zinc/68/61/85/1070686185.db2.gz OJWMFYILEXGTCD-RDTXWAMCSA-N -1 3 451.495 3.561 20 0 JHADHM CCSCCCn1c(-c2cccc(C)n2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001314618643 1070692664 /nfs/dbraw/zinc/69/26/64/1070692664.db2.gz ZBQQEHFPRMKSAX-UHFFFAOYSA-N -1 3 470.565 3.687 20 0 JHADHM COc1ccc(Oc2ccc(CC[N-]S(=O)(=O)c3cc4oc(=O)[nH]c4cc3F)cc2)cc1 ZINC001309323348 1070698841 /nfs/dbraw/zinc/69/88/41/1070698841.db2.gz WBUJZAMIXKEHPD-UHFFFAOYSA-N -1 3 458.467 3.582 20 0 JHADHM CC(C)(C)OC(=O)NC1(C[N-]S(=O)(=O)c2c(Cl)cccc2Br)CCC1 ZINC001309338105 1070708271 /nfs/dbraw/zinc/70/82/71/1070708271.db2.gz RGRMNKFUSAEYJD-UHFFFAOYSA-N -1 3 453.786 3.828 20 0 JHADHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]CCOCc2ccc(Cl)cc2Cl)c1 ZINC001309359990 1070721882 /nfs/dbraw/zinc/72/18/82/1070721882.db2.gz BPSVBCZZRHRTCP-UHFFFAOYSA-N -1 3 450.315 3.723 20 0 JHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(S(=O)(=O)[C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC001309367567 1070727745 /nfs/dbraw/zinc/72/77/45/1070727745.db2.gz ZDHAEAKLHZDVGJ-FXAWDEMLSA-N -1 3 452.935 3.721 20 0 JHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(S(=O)(=O)[C@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC001309367568 1070728438 /nfs/dbraw/zinc/72/84/38/1070728438.db2.gz ZDHAEAKLHZDVGJ-PXNSSMCTSA-N -1 3 452.935 3.721 20 0 JHADHM O=S(=O)([N-]CCc1nnc(-c2ccccc2)[nH]1)c1cc(Cl)c(Br)cc1F ZINC001309404598 1070750087 /nfs/dbraw/zinc/75/00/87/1070750087.db2.gz HLSHBFPALKUFGA-UHFFFAOYSA-N -1 3 459.728 3.548 20 0 JHADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2CC[C@@H](Cc3ccccc3)C2)cc1 ZINC001309417465 1070756975 /nfs/dbraw/zinc/75/69/75/1070756975.db2.gz HMBMDQDCCHNARA-FPOVZHCZSA-N -1 3 450.626 3.918 20 0 JHADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]C[C@@H](OCC2CC2)c2ccc(Cl)cc2)s1 ZINC001309487098 1070802391 /nfs/dbraw/zinc/80/23/91/1070802391.db2.gz BLINPSGFBRYKGA-MRXNPFEDSA-N -1 3 459.973 3.643 20 0 JHADHM CC(C)(C)OC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)C1(C)C ZINC001309586553 1070870716 /nfs/dbraw/zinc/87/07/16/1070870716.db2.gz YNDQWYRHDLZJKQ-CYBMUJFWSA-N -1 3 456.458 3.791 20 0 JHADHM CC(C)(C)OC(=O)N1CC[C@H]([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)C1(C)C ZINC001309586555 1070870761 /nfs/dbraw/zinc/87/07/61/1070870761.db2.gz YNDQWYRHDLZJKQ-ZDUSSCGKSA-N -1 3 456.458 3.791 20 0 JHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(OCC(F)F)c2ccccc21)c1noc(C(F)(F)F)n1 ZINC001309611424 1070884104 /nfs/dbraw/zinc/88/41/04/1070884104.db2.gz IIDOJHKXURLLOH-SECBINFHSA-N -1 3 451.373 3.925 20 0 JHADHM COC(=O)c1ccc(S(=O)(=O)[N-]CC2(Cc3ccc(Br)cc3)CC2)c(F)c1 ZINC001309690301 1070924177 /nfs/dbraw/zinc/92/41/77/1070924177.db2.gz VTUOPECSPFSZRD-UHFFFAOYSA-N -1 3 456.333 3.676 20 0 JHADHM O=S(=O)([N-][C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21)c1ccc(I)s1 ZINC001309754112 1070954455 /nfs/dbraw/zinc/95/44/55/1070954455.db2.gz RMZTZPHOGWOVFO-BIGNPOOSSA-N -1 3 451.738 3.623 20 0 JHADHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](c2ccc(F)cc2)C2CCCCC2)cc1F ZINC001309767548 1070960391 /nfs/dbraw/zinc/96/03/91/1070960391.db2.gz ZAZSGWSSCBIGDP-FQEVSTJZSA-N -1 3 458.552 3.936 20 0 JHADHM 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CCc1nc(CCn2c([C@@H](C)CC)nnc2N2CCN(C(=O)c3ccc([O-])cc3)CC2)cs1 ZINC001306016368 1068399357 /nfs/dbraw/zinc/39/93/57/1068399357.db2.gz SLEGIRSRMGTHMI-KRWDZBQOSA-N -1 3 468.627 3.721 20 0 JHADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)N[C@@H](C3CCCCC3)C(F)(F)F)c2)[n-]1 ZINC001310586899 1069032804 /nfs/dbraw/zinc/03/28/04/1069032804.db2.gz HAFUPDQXUILMNA-INIZCTEOSA-N -1 3 453.465 3.959 20 0 JHADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)N[C@@H](C3CCCCC3)C(F)(F)F)c2)n[n-]1 ZINC001310586899 1069032815 /nfs/dbraw/zinc/03/28/15/1069032815.db2.gz HAFUPDQXUILMNA-INIZCTEOSA-N -1 3 453.465 3.959 20 0 JHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)N[C@@H]3[C@@H]4CCO[C@@H]4C3(C)C)c2)cc1 ZINC001310797921 1069167659 /nfs/dbraw/zinc/16/76/59/1069167659.db2.gz RVTFVHAUCUSHQN-TYPHKJRUSA-N -1 3 459.568 3.739 20 0 JHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)N[C@@H]3[C@H]4CCO[C@@H]4C3(C)C)c2)cc1 ZINC001310797920 1069167890 /nfs/dbraw/zinc/16/78/90/1069167890.db2.gz RVTFVHAUCUSHQN-NRSPTQNISA-N -1 3 459.568 3.739 20 0 JHADHM Cc1ccc(NC(=O)NCCCCc2ccnc(N)c2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC001310799631 1069168278 /nfs/dbraw/zinc/16/82/78/1069168278.db2.gz DMPXOYRDPMGBIT-UHFFFAOYSA-N -1 3 453.568 3.917 20 0 JHADHM COC(=O)c1occc1CNC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC001310802541 1069170514 /nfs/dbraw/zinc/17/05/14/1069170514.db2.gz ZOIICVNBXHHYPZ-UHFFFAOYSA-N -1 3 457.508 3.806 20 0 JHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCC(F)(F)[C@H]2O)cc1 ZINC001310802632 1069170596 /nfs/dbraw/zinc/17/05/96/1069170596.db2.gz ZCAZREGUBNFVBF-MJGOQNOKSA-N -1 3 453.511 3.774 20 0 JHADHM COC(=O)c1cc(Br)cc(NC(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)c1C ZINC001310900233 1069214795 /nfs/dbraw/zinc/21/47/95/1069214795.db2.gz ZGRQLSINYBYWAG-SSDOTTSWSA-N -1 3 450.215 3.564 20 0 JHADHM Cc1cnnn1-c1ccc(NC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)cc1 ZINC001310923668 1069222378 /nfs/dbraw/zinc/22/23/78/1069222378.db2.gz FXJYJULOZPNPQQ-UHFFFAOYSA-N -1 3 454.918 3.817 20 0 JHADHM 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C[C@@]1(Cc2ccccc2F)CCCN1C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001312336395 1069871449 /nfs/dbraw/zinc/87/14/49/1069871449.db2.gz QGJLQEAUJMBSNW-IBGZPJMESA-N -1 3 459.996 3.626 20 0 JHADHM COC(=O)c1cc(C)nc2nc(S[C@H](Cc3ccc(F)c(F)c3F)C(C)=O)[n-]c(=O)c21 ZINC001307293176 1069930241 /nfs/dbraw/zinc/93/02/41/1069930241.db2.gz LKNZTMGWDDMQDA-CYBMUJFWSA-N -1 3 451.426 3.535 20 0 JHADHM COC(=O)c1cnc(SCC(=O)N(C)Cc2ccc(OCc3ccccc3)c(OC)c2)[n-]1 ZINC001307332214 1069951984 /nfs/dbraw/zinc/95/19/84/1069951984.db2.gz NJMSVWFGVUFTAZ-UHFFFAOYSA-N -1 3 455.536 3.535 20 0 JHADHM Cn1cccc1[C@@H]1CCCCN1C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001312672382 1070073990 /nfs/dbraw/zinc/07/39/90/1070073990.db2.gz ZKPFMERGTNHBKC-INIZCTEOSA-N -1 3 459.399 3.547 20 0 JHADHM CC(C)c1cccc2c1CCN(C(=O)NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1)C2 ZINC001313044466 1070233401 /nfs/dbraw/zinc/23/34/01/1070233401.db2.gz IAGRJGGPAAVBRV-UHFFFAOYSA-N -1 3 455.559 3.598 20 0 JHADHM O=C([N-]CC[C@@H]1CN(C(=O)NCCc2nc3c(s2)CCC3)c2ccccc21)C(F)(F)F ZINC001313266337 1070310187 /nfs/dbraw/zinc/31/01/87/1070310187.db2.gz VFNIFRXYYXSFDH-CYBMUJFWSA-N -1 3 452.502 3.556 20 0 JHADHM Cc1[nH]c2ccccc2c1SCCNC(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001313439854 1070360630 /nfs/dbraw/zinc/36/06/30/1070360630.db2.gz WEUODEALBONUDH-UHFFFAOYSA-N -1 3 450.561 3.578 20 0 JHADHM CS(=O)(=O)C1(CNCc2cc(Br)c([O-])c(Br)c2)CCCCC1 ZINC001308863145 1070450613 /nfs/dbraw/zinc/45/06/13/1070450613.db2.gz JZJGYMXVWSHVQD-UHFFFAOYSA-N -1 3 455.212 3.754 20 0 JHADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]Cc2ccc(CN3CCc4ccccc43)cc2)c1 ZINC001309047406 1070505666 /nfs/dbraw/zinc/50/56/66/1070505666.db2.gz HNLAJCKWJPVDSH-UHFFFAOYSA-N -1 3 454.523 3.654 20 0 JHADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]Cc1ccc(NC(=O)C(C)C)cc1 ZINC001309048373 1070506794 /nfs/dbraw/zinc/50/67/94/1070506794.db2.gz DKCVUPSSKZMWEN-UHFFFAOYSA-N -1 3 459.337 3.670 20 0 JHADHM CCC[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(F)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001309132699 1070557481 /nfs/dbraw/zinc/55/74/81/1070557481.db2.gz WUGYKCZLDSVEHN-SFHVURJKSA-N -1 3 454.955 3.560 20 0 JHADHM CC(C)[C@@H]([N-]S(=O)(=O)Cc1ccc(Br)cc1)c1nc(-c2ccncc2)no1 ZINC001309132832 1070557691 /nfs/dbraw/zinc/55/76/91/1070557691.db2.gz PQNYMNXXMQZPQX-MRXNPFEDSA-N -1 3 451.346 3.711 20 0 JHADHM CCc1noc(-c2ccc(CC[N-]S(=O)(=O)c3cccc(Br)c3F)cc2)n1 ZINC001309142274 1070564597 /nfs/dbraw/zinc/56/45/97/1070564597.db2.gz PIHFJAPSNJDUDR-UHFFFAOYSA-N -1 3 454.321 3.722 20 0 JHADHM C[C@@H]1C[C@H](N(C)S(=O)(=O)c2c([O-])cccc2OC(F)(F)F)CCN1Cc1ccccc1 ZINC001309203209 1070604544 /nfs/dbraw/zinc/60/45/44/1070604544.db2.gz UTMLUCZGXBAULB-NVXWUHKLSA-N -1 3 458.502 3.964 20 0 JHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CC2(O)CCCCCC2)c(Br)c1 ZINC001309226204 1070626196 /nfs/dbraw/zinc/62/61/96/1070626196.db2.gz NMVRSTCGWASGAL-UHFFFAOYSA-N -1 3 455.212 3.884 20 0 JHADHM O=S(=O)([N-]C[C@H](O)COc1cccc(C(F)(F)F)c1)c1csc(-c2ccccc2)n1 ZINC001309228111 1070627613 /nfs/dbraw/zinc/62/76/13/1070627613.db2.gz YUCMBKHOTJNFEQ-HNNXBMFYSA-N -1 3 458.483 3.547 20 0 JHADHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)Oc2ccc(-c3cscn3)cc2)cc1F ZINC001309250788 1070645315 /nfs/dbraw/zinc/64/53/15/1070645315.db2.gz WDUSJVKTAQXJNT-UHFFFAOYSA-N -1 3 456.542 3.869 20 0 JHADHM Cc1ccc(Br)c(CS(=O)(=O)[N-][C@H]2CCN(c3cccc(Cl)c3)C2=O)c1 ZINC001309259702 1070651647 /nfs/dbraw/zinc/65/16/47/1070651647.db2.gz OXVSXFYCTMOUKB-KRWDZBQOSA-N -1 3 457.777 3.636 20 0 JHADHM O=S(=O)([N-][C@H](c1ccccc1F)C1CCCC1)c1cnn2cc(Br)cnc12 ZINC001309287711 1070670892 /nfs/dbraw/zinc/67/08/92/1070670892.db2.gz FXQJBRNJQLZFCT-KRWDZBQOSA-N -1 3 453.337 3.841 20 0 JHADHM COC(=O)c1cc(S(=O)(=O)[N-]C2(Cc3ccccc3)CCC2)c(Br)cc1F ZINC001309279544 1070665541 /nfs/dbraw/zinc/66/55/41/1070665541.db2.gz NWYNFWMZAQREFG-UHFFFAOYSA-N -1 3 456.333 3.819 20 0 JHADHM Cc1cc(Br)c(S(=O)(=O)[N-]CC2([C@@H](O)C(C)C)CC2)c(Br)c1 ZINC001309348850 1070713962 /nfs/dbraw/zinc/71/39/62/1070713962.db2.gz UIDQGSYTXFOFDW-AWEZNQCLSA-N -1 3 455.212 3.595 20 0 JHADHM COC(=O)[C@@H](CC1CCCCC1)[N-]S(=O)(=O)C[C@@H]1CC[C@H](NC(=O)OCc2ccccc2)C1 ZINC001309402679 1070748932 /nfs/dbraw/zinc/74/89/32/1070748932.db2.gz PELLXPBEPXGHRT-BHIFYINESA-N -1 3 480.627 3.513 20 0 JHADHM CC(C)(C)OC(=O)NC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl)C(C)(C)C ZINC001309439499 1070771256 /nfs/dbraw/zinc/77/12/56/1070771256.db2.gz PUKFRSRVTMMTGJ-LBPRGKRZSA-N -1 3 459.918 3.972 20 0 JHADHM O=S(=O)([N-][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1cncc(Br)c1 ZINC001309441706 1070772670 /nfs/dbraw/zinc/77/26/70/1070772670.db2.gz VWMARBOHAKLWJW-ZDUSSCGKSA-N -1 3 459.671 3.528 20 0 JHADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-]C[C@@H]1CCCN(c2ccccc2)C1 ZINC001309463788 1070785696 /nfs/dbraw/zinc/78/56/96/1070785696.db2.gz TYAQQOZMOQPPQU-AWEZNQCLSA-N -1 3 457.365 3.792 20 0 JHADHM COC(=O)c1sc(S(=O)(=O)[N-]CC(C)(C)Oc2cc(F)cc(F)c2)c(C)c1Cl ZINC001309484403 1070799965 /nfs/dbraw/zinc/79/99/65/1070799965.db2.gz FNJHVAVJRPTAJO-UHFFFAOYSA-N -1 3 453.916 3.911 20 0 JHADHM O=S(=O)([N-]C[C@H]1Cc2ccccc2O1)c1csc(-c2ccc(Br)cc2)n1 ZINC001309502374 1070814100 /nfs/dbraw/zinc/81/41/00/1070814100.db2.gz BAJRXAJJBCYEKO-OAHLLOKOSA-N -1 3 451.367 3.855 20 0 JHADHM CC(C)[C@H](CO)[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1Br)C(C)C ZINC001309519265 1070824459 /nfs/dbraw/zinc/82/44/59/1070824459.db2.gz ZBHVNYNZQHVCKL-WFASDCNBSA-N -1 3 457.228 3.779 20 0 JHADHM C[C@@H](c1ccccc1F)N1CCC[C@@H]([N-]S(=O)(=O)c2csnc2-c2ccccc2)C1=O ZINC001309524378 1070826950 /nfs/dbraw/zinc/82/69/50/1070826950.db2.gz UDSVLHMDLRILMN-HNAYVOBHSA-N -1 3 459.568 3.980 20 0 JHADHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](c2ccc(F)cc2)C2CCCCC2)cc1F ZINC001309767549 1070960347 /nfs/dbraw/zinc/96/03/47/1070960347.db2.gz ZAZSGWSSCBIGDP-HXUWFJFHSA-N -1 3 458.552 3.936 20 0 JHADHM O=S(=O)([N-]C1(c2ncccn2)CCC1)c1csc(-c2cccc(Br)c2)n1 ZINC001309803460 1070974925 /nfs/dbraw/zinc/97/49/25/1070974925.db2.gz OILRWUJEMXNXBB-UHFFFAOYSA-N -1 3 451.371 3.720 20 0 JHADHM Cc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H](CO)c1ccccc1C(F)(F)F ZINC001309892045 1071007447 /nfs/dbraw/zinc/00/74/47/1071007447.db2.gz PSUOBYIOPUHTAB-AWEZNQCLSA-N -1 3 456.255 3.927 20 0 JHADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(Br)cc2F)cc1Cl ZINC001309930939 1071020678 /nfs/dbraw/zinc/02/06/78/1071020678.db2.gz DKWHWUVQENAMLX-UHFFFAOYSA-N -1 3 453.692 3.818 20 0 JHADHM Cc1nn(-c2ccccc2)c(C)c1[C@H](C[N-]S(=O)(=O)c1c[nH]c(C(C)C)n1)C(F)(F)F ZINC001309953256 1071026939 /nfs/dbraw/zinc/02/69/39/1071026939.db2.gz WJCNWTMHBKIKGQ-INIZCTEOSA-N -1 3 455.506 3.960 20 0 JHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1OC ZINC001310175351 1071180788 /nfs/dbraw/zinc/18/07/88/1071180788.db2.gz CUQOHARCCULIIF-MJGOQNOKSA-N -1 3 453.948 3.762 20 0 JHADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCC[C@H](Cc3nc(C)cs3)C2)cc1OC ZINC001310175859 1071180945 /nfs/dbraw/zinc/18/09/45/1071180945.db2.gz HMEGVYWYQZXBNC-OAHLLOKOSA-N -1 3 452.602 3.708 20 0 JHADHM COc1ccccc1CSc1ccccc1NC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001310415397 1071377706 /nfs/dbraw/zinc/37/77/06/1071377706.db2.gz PHXZLWOQOKLFAA-KRWDZBQOSA-N -1 3 451.552 3.884 20 0 JHADHM Cc1ccc(NC(=O)c2cccc(-n3cccn3)n2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC001306282214 1068699192 /nfs/dbraw/zinc/69/91/92/1068699192.db2.gz NHIOIXNJIZOEDY-UHFFFAOYSA-N -1 3 451.483 3.768 20 0 JHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)N2C[C@H](C)O[C@@]3(CCOC3)C2)cc1 ZINC001310801225 1069169670 /nfs/dbraw/zinc/16/96/70/1069169670.db2.gz NVFQXOVUYXFJSN-MBSDFSHPSA-N -1 3 459.568 3.516 20 0 JHADHM O=C(NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)Nc1ccccc1-c1ncco1 ZINC001311032729 1069252400 /nfs/dbraw/zinc/25/24/00/1069252400.db2.gz AJVPZZSWJIKYOV-UHFFFAOYSA-N -1 3 455.323 3.748 20 0 JHADHM CC(C)NC(=O)c1ccc2c(c1)C1(CCN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)CC1)C(=O)N2 ZINC001164990743 722187924 /nfs/dbraw/zinc/18/79/24/722187924.db2.gz NLNBETJBSZNCPM-UHFFFAOYSA-N -1 3 481.956 3.592 20 0 JHADHM